data_25149 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25149 _Entry.Title ; Isolated Ring domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-13 _Entry.Accession_date 2014-08-13 _Entry.Last_release_date 2014-10-27 _Entry.Original_release_date 2014-10-27 _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 'NMR, 20 STRUCTURES' _Entry.Details 'RING domain repurposing mechanism for 2-step polyubiquitination by the human APC' _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 Nicholas Brown . G. . 25149 2 Edmond Watson . R. . 25149 3 Florian Weissman . . . 25149 4 Grace Royappa . . . 25149 5 Brenda Schulman . . . 25149 6 Marc Jarvis . . . 25149 7 Ryan Vanderlinden . . . 25149 8 Jeremiah Frye . J. . 25149 9 Renping Qiao . . . 25149 10 Georg Petzold . . . 25149 11 Jan-Michael Peters . . . 25149 12 Holger Stark . . . 25149 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' . 25149 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ring domain' . 25149 'zinc binding domain' . 25149 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25149 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 469 25149 '13C chemical shifts' 292 25149 '15N chemical shifts' 76 25149 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-10-27 2014-08-13 original author . 25149 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MT5 'BMRB Entry Tracking System' 25149 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25149 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25306923 _Citation.Full_citation . _Citation.Title 'Mechanism of Polyubiquitination by Human Anaphase-Promoting Complex: RING Repurposing for Ubiquitin Chain Assembly' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nicholas Brown . G. . 25149 1 2 Edmond Watson . R. . 25149 1 3 Florian Weissman . . . 25149 1 4 Grace Royappa . . . 25149 1 5 Marc Jarvis . . . 25149 1 6 Ryan Vanderlinden . . . 25149 1 7 Jeremiah Frye . J. . 25149 1 8 Renping Qiao . . . 25149 1 9 Georg Petzold . . . 25149 1 10 Jan-Michael Peters . . . 25149 1 11 Holger Stark . . . 25149 1 12 Brenda Schulman . . . 25149 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25149 _Assembly.ID 1 _Assembly.Name 'Isolated Ring domain' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 25149 1 2 'Zinc Ion 1' 2 $entity_ZN B . no native no no . . . 25149 1 3 'Zinc Ion 2' 2 $entity_ZN C . no native no no . . . 25149 1 4 'Zinc Ion 3' 2 $entity_ZN D . no native no no . . . 25149 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25149 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GSVANDENCGICRMAFNGCC PDCKVPGDDCPLVWGQCSHC FHMHCILKWLHAQQVQQHCP MCRQEWKFKE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8191.060 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MT5 . "Isolated Ring Domain" . . . . . 100.00 70 100.00 100.00 3.88e-43 . . . . 25149 1 2 no PDB 4R2Y . "Crystal Structure Of Apc11 Ring Domain" . . . . . 97.14 68 100.00 100.00 1.55e-41 . . . . 25149 1 3 no PDB 4UI9 . "Atomic Structure Of The Human Anaphase-promoting Complex" . . . . . 97.14 84 100.00 100.00 1.57e-41 . . . . 25149 1 4 no DBJ BAB22663 . "unnamed protein product [Mus musculus]" . . . . . 97.14 84 98.53 100.00 7.75e-41 . . . . 25149 1 5 no DBJ BAB22890 . "unnamed protein product [Mus musculus]" . . . . . 97.14 84 98.53 100.00 7.75e-41 . . . . 25149 1 6 no DBJ BAB22937 . "unnamed protein product [Mus musculus]" . . . . . 60.00 42 97.62 100.00 2.54e-20 . . . . 25149 1 7 no DBJ BAC32348 . "unnamed protein product [Mus musculus]" . . . . . 97.14 84 98.53 100.00 7.75e-41 . . . . 25149 1 8 no DBJ BAE22944 . "unnamed protein product [Mus musculus]" . . . . . 97.14 84 98.53 100.00 7.75e-41 . . . . 25149 1 9 no EMBL CAH92008 . "hypothetical protein [Pongo abelii]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1 10 no GB AAF65816 . "anaphase promoting complex subunit 11 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1 11 no GB AAH23039 . "Anaphase promoting complex subunit 11 [Mus musculus]" . . . . . 97.14 84 98.53 100.00 7.75e-41 . . . . 25149 1 12 no GB AAH66308 . "Anaphase promoting complex subunit 11 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1 13 no GB AAH95454 . "Anaphase promoting complex subunit 11 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1 14 no GB AAI02427 . "ANAPC11 protein [Bos taurus]" . . . . . 97.14 84 98.53 100.00 8.01e-41 . . . . 25149 1 15 no REF NP_001002245 . "anaphase-promoting complex subunit 11 isoform 2 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1 16 no REF NP_001002246 . "anaphase-promoting complex subunit 11 isoform 2 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1 17 no REF NP_001002247 . "anaphase-promoting complex subunit 11 isoform 2 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1 18 no REF NP_001002248 . "anaphase-promoting complex subunit 11 isoform 2 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1 19 no REF NP_001002249 . "anaphase-promoting complex subunit 11 isoform 2 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1 20 no SP Q3ZCF6 . "RecName: Full=Anaphase-promoting complex subunit 11; Short=APC11; AltName: Full=Cyclosome subunit 11" . . . . . 97.14 84 98.53 100.00 8.01e-41 . . . . 25149 1 21 no SP Q5R8A2 . "RecName: Full=Anaphase-promoting complex subunit 11; Short=APC11; AltName: Full=Cyclosome subunit 11" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1 22 no SP Q9CPX9 . "RecName: Full=Anaphase-promoting complex subunit 11; Short=APC11; AltName: Full=Cyclosome subunit 11" . . . . . 97.14 84 98.53 100.00 7.75e-41 . . . . 25149 1 23 no SP Q9NYG5 . "RecName: Full=Anaphase-promoting complex subunit 11; Short=APC11; AltName: Full=Cyclosome subunit 11; AltName: Full=Hepatocellu" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1 24 no TPG DAA14168 . "TPA: anaphase promoting complex subunit 11-like [Bos taurus]" . . . . . 97.14 79 97.06 98.53 1.01e-39 . . . . 25149 1 25 no TPG DAA18262 . "TPA: anaphase-promoting complex subunit 11 [Bos taurus]" . . . . . 97.14 84 98.53 100.00 8.01e-41 . . . . 25149 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 1 GLY . 25149 1 2 2 SER . 25149 1 3 3 VAL . 25149 1 4 4 ALA . 25149 1 5 5 ASN . 25149 1 6 6 ASP . 25149 1 7 7 GLU . 25149 1 8 8 ASN . 25149 1 9 9 CYS . 25149 1 10 10 GLY . 25149 1 11 11 ILE . 25149 1 12 12 CYS . 25149 1 13 13 ARG . 25149 1 14 14 MET . 25149 1 15 15 ALA . 25149 1 16 16 PHE . 25149 1 17 17 ASN . 25149 1 18 18 GLY . 25149 1 19 19 CYS . 25149 1 20 20 CYS . 25149 1 21 21 PRO . 25149 1 22 22 ASP . 25149 1 23 23 CYS . 25149 1 24 24 LYS . 25149 1 25 25 VAL . 25149 1 26 26 PRO . 25149 1 27 27 GLY . 25149 1 28 28 ASP . 25149 1 29 29 ASP . 25149 1 30 30 CYS . 25149 1 31 31 PRO . 25149 1 32 32 LEU . 25149 1 33 33 VAL . 25149 1 34 34 TRP . 25149 1 35 35 GLY . 25149 1 36 36 GLN . 25149 1 37 37 CYS . 25149 1 38 38 SER . 25149 1 39 39 HIS . 25149 1 40 40 CYS . 25149 1 41 41 PHE . 25149 1 42 42 HIS . 25149 1 43 43 MET . 25149 1 44 44 HIS . 25149 1 45 45 CYS . 25149 1 46 46 ILE . 25149 1 47 47 LEU . 25149 1 48 48 LYS . 25149 1 49 49 TRP . 25149 1 50 50 LEU . 25149 1 51 51 HIS . 25149 1 52 52 ALA . 25149 1 53 53 GLN . 25149 1 54 54 GLN . 25149 1 55 55 VAL . 25149 1 56 56 GLN . 25149 1 57 57 GLN . 25149 1 58 58 HIS . 25149 1 59 59 CYS . 25149 1 60 60 PRO . 25149 1 61 61 MET . 25149 1 62 62 CYS . 25149 1 63 63 ARG . 25149 1 64 64 GLN . 25149 1 65 65 GLU . 25149 1 66 66 TRP . 25149 1 67 67 LYS . 25149 1 68 68 PHE . 25149 1 69 69 LYS . 25149 1 70 70 GLU . 25149 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 25149 1 . SER 2 2 25149 1 . VAL 3 3 25149 1 . ALA 4 4 25149 1 . ASN 5 5 25149 1 . ASP 6 6 25149 1 . GLU 7 7 25149 1 . ASN 8 8 25149 1 . CYS 9 9 25149 1 . GLY 10 10 25149 1 . ILE 11 11 25149 1 . CYS 12 12 25149 1 . ARG 13 13 25149 1 . MET 14 14 25149 1 . ALA 15 15 25149 1 . PHE 16 16 25149 1 . ASN 17 17 25149 1 . GLY 18 18 25149 1 . CYS 19 19 25149 1 . CYS 20 20 25149 1 . PRO 21 21 25149 1 . ASP 22 22 25149 1 . CYS 23 23 25149 1 . LYS 24 24 25149 1 . VAL 25 25 25149 1 . PRO 26 26 25149 1 . GLY 27 27 25149 1 . ASP 28 28 25149 1 . ASP 29 29 25149 1 . CYS 30 30 25149 1 . PRO 31 31 25149 1 . LEU 32 32 25149 1 . VAL 33 33 25149 1 . TRP 34 34 25149 1 . GLY 35 35 25149 1 . GLN 36 36 25149 1 . CYS 37 37 25149 1 . SER 38 38 25149 1 . HIS 39 39 25149 1 . CYS 40 40 25149 1 . PHE 41 41 25149 1 . HIS 42 42 25149 1 . MET 43 43 25149 1 . HIS 44 44 25149 1 . CYS 45 45 25149 1 . ILE 46 46 25149 1 . LEU 47 47 25149 1 . LYS 48 48 25149 1 . TRP 49 49 25149 1 . LEU 50 50 25149 1 . HIS 51 51 25149 1 . ALA 52 52 25149 1 . GLN 53 53 25149 1 . GLN 54 54 25149 1 . VAL 55 55 25149 1 . GLN 56 56 25149 1 . GLN 57 57 25149 1 . HIS 58 58 25149 1 . CYS 59 59 25149 1 . PRO 60 60 25149 1 . MET 61 61 25149 1 . CYS 62 62 25149 1 . ARG 63 63 25149 1 . GLN 64 64 25149 1 . GLU 65 65 25149 1 . TRP 66 66 25149 1 . LYS 67 67 25149 1 . PHE 68 68 25149 1 . LYS 69 69 25149 1 . GLU 70 70 25149 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25149 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25149 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 25149 2 ZN 'Three letter code' 25149 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 25149 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 25149 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25149 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 25149 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'GST-Fusion with C-terminal Cys-His6tag' . . . . . . 25149 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 25149 _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 25149 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25149 ZN [Zn++] SMILES CACTVS 3.341 25149 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25149 ZN [Zn+2] SMILES ACDLabs 10.04 25149 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25149 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25149 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 25149 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25149 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 . 25149 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25149 _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 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 25149 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25149 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25149 1 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 25149 _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 temperature 298 . K 25149 1 pH 7.0 . pH 25149 1 pressure 1 . atm 25149 1 'ionic strength' 100 . mM 25149 1 stop_ save_ ############################ # Computer software used # ############################ save_cyana _Software.Sf_category software _Software.Sf_framecode cyana _Software.Entry_ID 25149 _Software.ID 1 _Software.Name cyana _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25149 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25149 1 'data analysis' 25149 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25149 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25149 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25149 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25149 1 2 spectrometer_2 Bruker Avance . 800 . . . 25149 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 25149 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25149 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25149 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25149 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25149 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25149 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25149 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 25149 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25149 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25149 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25149 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 25149 _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' . . . 25149 1 3 '3D HNCACB' . . . 25149 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide nitrogens' 15 . . 25149 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 4.119 0.02 . 2 . . . A 1 GLY HA2 . 25149 1 2 . 1 1 1 1 GLY HA3 H 1 3.598 0.02 . 2 . . . A 1 GLY HA3 . 25149 1 3 . 1 1 1 1 GLY CA C 13 46.957 0.4 . 1 . . . A 1 GLY CA . 25149 1 4 . 1 1 2 2 SER HA H 1 4.417 0.02 . 1 . . . A 2 SER HA . 25149 1 5 . 1 1 2 2 SER HB2 H 1 4.411 0.02 . 2 . . . A 2 SER HB2 . 25149 1 6 . 1 1 2 2 SER HB3 H 1 4.411 0.02 . 2 . . . A 2 SER HB3 . 25149 1 7 . 1 1 2 2 SER CA C 13 58.322 0.4 . 1 . . . A 2 SER CA . 25149 1 8 . 1 1 2 2 SER CB C 13 64.169 0.4 . 1 . . . A 2 SER CB . 25149 1 9 . 1 1 3 3 VAL H H 1 8.17 0.02 . 1 . . . A 3 VAL H . 25149 1 10 . 1 1 3 3 VAL HA H 1 4.046 0.02 . 1 . . . A 3 VAL HA . 25149 1 11 . 1 1 3 3 VAL HB H 1 1.949 0.02 . 1 . . . A 3 VAL HB . 25149 1 12 . 1 1 3 3 VAL HG11 H 1 0.768 0.02 . 2 . . . A 3 VAL HG11 . 25149 1 13 . 1 1 3 3 VAL HG12 H 1 0.768 0.02 . 2 . . . A 3 VAL HG11 . 25149 1 14 . 1 1 3 3 VAL HG13 H 1 0.768 0.02 . 2 . . . A 3 VAL HG11 . 25149 1 15 . 1 1 3 3 VAL HG21 H 1 0.768 0.02 . 2 . . . A 3 VAL HG22 . 25149 1 16 . 1 1 3 3 VAL HG22 H 1 0.768 0.02 . 2 . . . A 3 VAL HG22 . 25149 1 17 . 1 1 3 3 VAL HG23 H 1 0.768 0.02 . 2 . . . A 3 VAL HG22 . 25149 1 18 . 1 1 3 3 VAL C C 13 175.879 0.4 . 1 . . . A 3 VAL C . 25149 1 19 . 1 1 3 3 VAL CA C 13 62.138 0.4 . 1 . . . A 3 VAL CA . 25149 1 20 . 1 1 3 3 VAL CB C 13 32.958 0.4 . 1 . . . A 3 VAL CB . 25149 1 21 . 1 1 3 3 VAL CG1 C 13 21.134 0.4 . 1 . . . A 3 VAL CG1 . 25149 1 22 . 1 1 3 3 VAL N N 15 121.214 0.4 . 1 . . . A 3 VAL N . 25149 1 23 . 1 1 4 4 ALA H H 1 8.294 0.02 . 1 . . . A 4 ALA H . 25149 1 24 . 1 1 4 4 ALA HA H 1 4.197 0.02 . 1 . . . A 4 ALA HA . 25149 1 25 . 1 1 4 4 ALA HB1 H 1 1.243 0.02 . 1 . . . A 4 ALA HB1 . 25149 1 26 . 1 1 4 4 ALA HB2 H 1 1.243 0.02 . 1 . . . A 4 ALA HB2 . 25149 1 27 . 1 1 4 4 ALA HB3 H 1 1.243 0.02 . 1 . . . A 4 ALA HB3 . 25149 1 28 . 1 1 4 4 ALA C C 13 177.497 0.4 . 1 . . . A 4 ALA C . 25149 1 29 . 1 1 4 4 ALA CA C 13 52.439 0.4 . 1 . . . A 4 ALA CA . 25149 1 30 . 1 1 4 4 ALA CB C 13 19.424 0.4 . 1 . . . A 4 ALA CB . 25149 1 31 . 1 1 4 4 ALA N N 15 127.312 0.4 . 1 . . . A 4 ALA N . 25149 1 32 . 1 1 5 5 ASN H H 1 8.252 0.02 . 1 . . . A 5 ASN H . 25149 1 33 . 1 1 5 5 ASN HA H 1 4.565 0.02 . 1 . . . A 5 ASN HA . 25149 1 34 . 1 1 5 5 ASN HB2 H 1 2.694 0.02 . 2 . . . A 5 ASN HB2 . 25149 1 35 . 1 1 5 5 ASN HB3 H 1 2.622 0.02 . 2 . . . A 5 ASN HB3 . 25149 1 36 . 1 1 5 5 ASN HD21 H 1 7.478 0.02 . 2 . . . A 5 ASN HD21 . 25149 1 37 . 1 1 5 5 ASN HD22 H 1 6.78 0.02 . 2 . . . A 5 ASN HD21 . 25149 1 38 . 1 1 5 5 ASN C C 13 175.048 0.4 . 1 . . . A 5 ASN C . 25149 1 39 . 1 1 5 5 ASN CA C 13 53.725 0.4 . 1 . . . A 5 ASN CA . 25149 1 40 . 1 1 5 5 ASN CB C 13 39.197 0.4 . 1 . . . A 5 ASN CB . 25149 1 41 . 1 1 5 5 ASN N N 15 117.674 0.4 . 1 . . . A 5 ASN N . 25149 1 42 . 1 1 5 5 ASN ND2 N 15 112.513 0.4 . 1 . . . A 5 ASN ND2 . 25149 1 43 . 1 1 6 6 ASP H H 1 8.215 0.02 . 1 . . . A 6 ASP H . 25149 1 44 . 1 1 6 6 ASP HA H 1 4.52 0.02 . 1 . . . A 6 ASP HA . 25149 1 45 . 1 1 6 6 ASP HB2 H 1 2.597 0.02 . 2 . . . A 6 ASP HB2 . 25149 1 46 . 1 1 6 6 ASP HB3 H 1 2.597 0.02 . 2 . . . A 6 ASP HB3 . 25149 1 47 . 1 1 6 6 ASP C C 13 176.269 0.4 . 1 . . . A 6 ASP C . 25149 1 48 . 1 1 6 6 ASP CA C 13 54.497 0.4 . 1 . . . A 6 ASP CA . 25149 1 49 . 1 1 6 6 ASP CB C 13 41.104 0.4 . 1 . . . A 6 ASP CB . 25149 1 50 . 1 1 6 6 ASP N N 15 119.896 0.4 . 1 . . . A 6 ASP N . 25149 1 51 . 1 1 7 7 GLU H H 1 8.065 0.02 . 1 . . . A 7 GLU H . 25149 1 52 . 1 1 7 7 GLU HA H 1 4.243 0.02 . 1 . . . A 7 GLU HA . 25149 1 53 . 1 1 7 7 GLU HB2 H 1 1.983 0.02 . 2 . . . A 7 GLU HB2 . 25149 1 54 . 1 1 7 7 GLU HB3 H 1 1.76 0.02 . 2 . . . A 7 GLU HB3 . 25149 1 55 . 1 1 7 7 GLU HG2 H 1 2.139 0.02 . 2 . . . A 7 GLU HG2 . 25149 1 56 . 1 1 7 7 GLU HG3 H 1 2.139 0.02 . 2 . . . A 7 GLU HG3 . 25149 1 57 . 1 1 7 7 GLU C C 13 175.006 0.4 . 1 . . . A 7 GLU C . 25149 1 58 . 1 1 7 7 GLU CA C 13 56.689 0.4 . 1 . . . A 7 GLU CA . 25149 1 59 . 1 1 7 7 GLU CB C 13 30.379 0.4 . 1 . . . A 7 GLU CB . 25149 1 60 . 1 1 7 7 GLU CG C 13 36.271 0.4 . 1 . . . A 7 GLU CG . 25149 1 61 . 1 1 7 7 GLU N N 15 119.101 0.4 . 1 . . . A 7 GLU N . 25149 1 62 . 1 1 8 8 ASN H H 1 7.505 0.02 . 1 . . . A 8 ASN H . 25149 1 63 . 1 1 8 8 ASN HA H 1 4.158 0.02 . 1 . . . A 8 ASN HA . 25149 1 64 . 1 1 8 8 ASN HB2 H 1 2.036 0.02 . 2 . . . A 8 ASN HB2 . 25149 1 65 . 1 1 8 8 ASN HB3 H 1 1.67 0.02 . 2 . . . A 8 ASN HB3 . 25149 1 66 . 1 1 8 8 ASN HD21 H 1 6.913 0.02 . 2 . . . A 8 ASN HD21 . 25149 1 67 . 1 1 8 8 ASN HD22 H 1 6.379 0.02 . 2 . . . A 8 ASN HD21 . 25149 1 68 . 1 1 8 8 ASN C C 13 172.706 0.4 . 1 . . . A 8 ASN C . 25149 1 69 . 1 1 8 8 ASN CA C 13 51.165 0.4 . 1 . . . A 8 ASN CA . 25149 1 70 . 1 1 8 8 ASN CB C 13 40.702 0.4 . 1 . . . A 8 ASN CB . 25149 1 71 . 1 1 8 8 ASN N N 15 116.852 0.4 . 1 . . . A 8 ASN N . 25149 1 72 . 1 1 8 8 ASN ND2 N 15 111.387 0.4 . 1 . . . A 8 ASN ND2 . 25149 1 73 . 1 1 9 9 CYS H H 1 7.614 0.02 . 1 . . . A 9 CYS H . 25149 1 74 . 1 1 9 9 CYS HA H 1 3.794 0.02 . 1 . . . A 9 CYS HA . 25149 1 75 . 1 1 9 9 CYS HB2 H 1 3.392 0.02 . 2 . . . A 9 CYS HB2 . 25149 1 76 . 1 1 9 9 CYS HB3 H 1 2.11 0.02 . 2 . . . A 9 CYS HB3 . 25149 1 77 . 1 1 9 9 CYS C C 13 178.37 0.4 . 1 . . . A 9 CYS C . 25149 1 78 . 1 1 9 9 CYS CA C 13 59.552 0.4 . 1 . . . A 9 CYS CA . 25149 1 79 . 1 1 9 9 CYS CB C 13 31.526 0.4 . 1 . . . A 9 CYS CB . 25149 1 80 . 1 1 9 9 CYS N N 15 122.855 0.4 . 1 . . . A 9 CYS N . 25149 1 81 . 1 1 10 10 GLY H H 1 9.235 0.02 . 1 . . . A 10 GLY H . 25149 1 82 . 1 1 10 10 GLY HA2 H 1 3.91 0.02 . 2 . . . A 10 GLY HA2 . 25149 1 83 . 1 1 10 10 GLY HA3 H 1 3.795 0.02 . 2 . . . A 10 GLY HA3 . 25149 1 84 . 1 1 10 10 GLY C C 13 174.111 0.4 . 1 . . . A 10 GLY C . 25149 1 85 . 1 1 10 10 GLY CA C 13 46.967 0.4 . 1 . . . A 10 GLY CA . 25149 1 86 . 1 1 10 10 GLY N N 15 117.295 0.4 . 1 . . . A 10 GLY N . 25149 1 87 . 1 1 11 11 ILE H H 1 8.285 0.02 . 1 . . . A 11 ILE H . 25149 1 88 . 1 1 11 11 ILE HA H 1 3.809 0.02 . 1 . . . A 11 ILE HA . 25149 1 89 . 1 1 11 11 ILE HB H 1 1.491 0.02 . 1 . . . A 11 ILE HB . 25149 1 90 . 1 1 11 11 ILE HG12 H 1 1.067 0.02 . 2 . . . A 11 ILE HG12 . 25149 1 91 . 1 1 11 11 ILE HG13 H 1 0.146 0.02 . 2 . . . A 11 ILE HG13 . 25149 1 92 . 1 1 11 11 ILE HG21 H 1 0.789 0.02 . 1 . . . A 11 ILE HG22 . 25149 1 93 . 1 1 11 11 ILE HG22 H 1 0.789 0.02 . 1 . . . A 11 ILE HG22 . 25149 1 94 . 1 1 11 11 ILE HG23 H 1 0.789 0.02 . 1 . . . A 11 ILE HG22 . 25149 1 95 . 1 1 11 11 ILE HD11 H 1 -0.137 0.02 . 1 . . . A 11 ILE HD11 . 25149 1 96 . 1 1 11 11 ILE HD12 H 1 -0.137 0.02 . 1 . . . A 11 ILE HD11 . 25149 1 97 . 1 1 11 11 ILE HD13 H 1 -0.137 0.02 . 1 . . . A 11 ILE HD11 . 25149 1 98 . 1 1 11 11 ILE C C 13 176.121 0.4 . 1 . . . A 11 ILE C . 25149 1 99 . 1 1 11 11 ILE CA C 13 64.041 0.4 . 1 . . . A 11 ILE CA . 25149 1 100 . 1 1 11 11 ILE CB C 13 39.411 0.4 . 1 . . . A 11 ILE CB . 25149 1 101 . 1 1 11 11 ILE CG1 C 13 28.154 0.4 . 1 . . . A 11 ILE CG1 . 25149 1 102 . 1 1 11 11 ILE CG2 C 13 16.803 0.4 . 1 . . . A 11 ILE CG2 . 25149 1 103 . 1 1 11 11 ILE CD1 C 13 13.344 0.4 . 1 . . . A 11 ILE CD1 . 25149 1 104 . 1 1 11 11 ILE N N 15 119.811 0.4 . 1 . . . A 11 ILE N . 25149 1 105 . 1 1 12 12 CYS H H 1 7.607 0.02 . 1 . . . A 12 CYS H . 25149 1 106 . 1 1 12 12 CYS HA H 1 4.576 0.02 . 1 . . . A 12 CYS HA . 25149 1 107 . 1 1 12 12 CYS HB2 H 1 3.021 0.02 . 2 . . . A 12 CYS HB2 . 25149 1 108 . 1 1 12 12 CYS HB3 H 1 2.971 0.02 . 2 . . . A 12 CYS HB3 . 25149 1 109 . 1 1 12 12 CYS C C 13 175.975 0.4 . 1 . . . A 12 CYS C . 25149 1 110 . 1 1 12 12 CYS CA C 13 59.225 0.4 . 1 . . . A 12 CYS CA . 25149 1 111 . 1 1 12 12 CYS CB C 13 32.246 0.4 . 1 . . . A 12 CYS CB . 25149 1 112 . 1 1 12 12 CYS N N 15 116.728 0.4 . 1 . . . A 12 CYS N . 25149 1 113 . 1 1 13 13 ARG H H 1 7.987 0.02 . 1 . . . A 13 ARG H . 25149 1 114 . 1 1 13 13 ARG HA H 1 3.742 0.02 . 1 . . . A 13 ARG HA . 25149 1 115 . 1 1 13 13 ARG HB2 H 1 2.004 0.02 . 2 . . . A 13 ARG HB2 . 25149 1 116 . 1 1 13 13 ARG HB3 H 1 1.827 0.02 . 2 . . . A 13 ARG HB3 . 25149 1 117 . 1 1 13 13 ARG HG2 H 1 1.338 0.02 . 2 . . . A 13 ARG HG2 . 25149 1 118 . 1 1 13 13 ARG HG3 H 1 1.281 0.02 . 2 . . . A 13 ARG HG3 . 25149 1 119 . 1 1 13 13 ARG HD2 H 1 2.982 0.02 . 2 . . . A 13 ARG HD2 . 25149 1 120 . 1 1 13 13 ARG HD3 H 1 2.982 0.02 . 2 . . . A 13 ARG HD3 . 25149 1 121 . 1 1 13 13 ARG C C 13 174.979 0.4 . 1 . . . A 13 ARG C . 25149 1 122 . 1 1 13 13 ARG CA C 13 57.636 0.4 . 1 . . . A 13 ARG CA . 25149 1 123 . 1 1 13 13 ARG CB C 13 26.326 0.4 . 1 . . . A 13 ARG CB . 25149 1 124 . 1 1 13 13 ARG CG C 13 27.591 0.4 . 1 . . . A 13 ARG CG . 25149 1 125 . 1 1 13 13 ARG CD C 13 42.941 0.4 . 1 . . . A 13 ARG CD . 25149 1 126 . 1 1 13 13 ARG N N 15 116.073 0.4 . 1 . . . A 13 ARG N . 25149 1 127 . 1 1 14 14 MET H H 1 8.624 0.02 . 1 . . . A 14 MET H . 25149 1 128 . 1 1 14 14 MET HA H 1 4.547 0.02 . 1 . . . A 14 MET HA . 25149 1 129 . 1 1 14 14 MET HB2 H 1 2.35 0.02 . 2 . . . A 14 MET HB2 . 25149 1 130 . 1 1 14 14 MET HB3 H 1 2.192 0.02 . 2 . . . A 14 MET HB3 . 25149 1 131 . 1 1 14 14 MET HG2 H 1 2.467 0.02 . 2 . . . A 14 MET HG2 . 25149 1 132 . 1 1 14 14 MET HG3 H 1 2.316 0.02 . 2 . . . A 14 MET HG3 . 25149 1 133 . 1 1 14 14 MET HE1 H 1 1.916 0.02 . 1 . . . A 14 MET HE1 . 25149 1 134 . 1 1 14 14 MET HE2 H 1 1.916 0.02 . 1 . . . A 14 MET HE2 . 25149 1 135 . 1 1 14 14 MET HE3 H 1 1.916 0.02 . 1 . . . A 14 MET HE3 . 25149 1 136 . 1 1 14 14 MET C C 13 176.143 0.4 . 1 . . . A 14 MET C . 25149 1 137 . 1 1 14 14 MET CA C 13 54.208 0.4 . 1 . . . A 14 MET CA . 25149 1 138 . 1 1 14 14 MET CB C 13 33.951 0.4 . 1 . . . A 14 MET CB . 25149 1 139 . 1 1 14 14 MET CG C 13 32.566 0.4 . 1 . . . A 14 MET CG . 25149 1 140 . 1 1 14 14 MET CE C 13 17.076 0.4 . 1 . . . A 14 MET CE . 25149 1 141 . 1 1 14 14 MET N N 15 119.313 0.4 . 1 . . . A 14 MET N . 25149 1 142 . 1 1 15 15 ALA H H 1 7.965 0.02 . 1 . . . A 15 ALA H . 25149 1 143 . 1 1 15 15 ALA HA H 1 4.272 0.02 . 1 . . . A 15 ALA HA . 25149 1 144 . 1 1 15 15 ALA HB1 H 1 1.286 0.02 . 1 . . . A 15 ALA HB1 . 25149 1 145 . 1 1 15 15 ALA HB2 H 1 1.286 0.02 . 1 . . . A 15 ALA HB2 . 25149 1 146 . 1 1 15 15 ALA HB3 H 1 1.286 0.02 . 1 . . . A 15 ALA HB3 . 25149 1 147 . 1 1 15 15 ALA C C 13 180.117 0.4 . 1 . . . A 15 ALA C . 25149 1 148 . 1 1 15 15 ALA CA C 13 52.346 0.4 . 1 . . . A 15 ALA CA . 25149 1 149 . 1 1 15 15 ALA CB C 13 19.487 0.4 . 1 . . . A 15 ALA CB . 25149 1 150 . 1 1 15 15 ALA N N 15 122.683 0.4 . 1 . . . A 15 ALA N . 25149 1 151 . 1 1 16 16 PHE H H 1 8.095 0.02 . 1 . . . A 16 PHE H . 25149 1 152 . 1 1 16 16 PHE HA H 1 4.041 0.02 . 1 . . . A 16 PHE HA . 25149 1 153 . 1 1 16 16 PHE HB2 H 1 2.945 0.02 . 2 . . . A 16 PHE HB2 . 25149 1 154 . 1 1 16 16 PHE HB3 H 1 2.665 0.02 . 2 . . . A 16 PHE HB3 . 25149 1 155 . 1 1 16 16 PHE HD1 H 1 6.589 0.02 . 1 . . . A 16 PHE HD1 . 25149 1 156 . 1 1 16 16 PHE HD2 H 1 6.589 0.02 . 1 . . . A 16 PHE HD2 . 25149 1 157 . 1 1 16 16 PHE HE1 H 1 6.821 0.02 . 1 . . . A 16 PHE HE1 . 25149 1 158 . 1 1 16 16 PHE HE2 H 1 6.821 0.02 . 1 . . . A 16 PHE HE2 . 25149 1 159 . 1 1 16 16 PHE HZ H 1 6.706 0.02 . 1 . . . A 16 PHE HZ . 25149 1 160 . 1 1 16 16 PHE C C 13 176.423 0.4 . 1 . . . A 16 PHE C . 25149 1 161 . 1 1 16 16 PHE CA C 13 59.13 0.4 . 1 . . . A 16 PHE CA . 25149 1 162 . 1 1 16 16 PHE CB C 13 38.39 0.4 . 1 . . . A 16 PHE CB . 25149 1 163 . 1 1 16 16 PHE CD1 C 13 130.342 0.4 . 1 . . . A 16 PHE CD1 . 25149 1 164 . 1 1 16 16 PHE CE1 C 13 130.257 0.4 . 1 . . . A 16 PHE CE1 . 25149 1 165 . 1 1 16 16 PHE CZ C 13 129.917 0.4 . 1 . . . A 16 PHE CZ . 25149 1 166 . 1 1 16 16 PHE N N 15 119.313 0.4 . 1 . . . A 16 PHE N . 25149 1 167 . 1 1 17 17 ASN H H 1 7.823 0.02 . 1 . . . A 17 ASN H . 25149 1 168 . 1 1 17 17 ASN HA H 1 4.636 0.02 . 1 . . . A 17 ASN HA . 25149 1 169 . 1 1 17 17 ASN HB2 H 1 2.843 0.02 . 2 . . . A 17 ASN HB2 . 25149 1 170 . 1 1 17 17 ASN HB3 H 1 2.715 0.02 . 2 . . . A 17 ASN HB3 . 25149 1 171 . 1 1 17 17 ASN HD21 H 1 7.427 0.02 . 2 . . . A 17 ASN HD21 . 25149 1 172 . 1 1 17 17 ASN HD22 H 1 6.654 0.02 . 2 . . . A 17 ASN HD21 . 25149 1 173 . 1 1 17 17 ASN C C 13 175.337 0.4 . 1 . . . A 17 ASN C . 25149 1 174 . 1 1 17 17 ASN CA C 13 52.961 0.4 . 1 . . . A 17 ASN CA . 25149 1 175 . 1 1 17 17 ASN CB C 13 37.174 0.4 . 1 . . . A 17 ASN CB . 25149 1 176 . 1 1 17 17 ASN N N 15 112.313 0.4 . 1 . . . A 17 ASN N . 25149 1 177 . 1 1 17 17 ASN ND2 N 15 110.405 0.4 . 1 . . . A 17 ASN ND2 . 25149 1 178 . 1 1 18 18 GLY H H 1 7.579 0.02 . 1 . . . A 18 GLY H . 25149 1 179 . 1 1 18 18 GLY HA2 H 1 4.344 0.02 . 2 . . . A 18 GLY HA2 . 25149 1 180 . 1 1 18 18 GLY HA3 H 1 3.835 0.02 . 2 . . . A 18 GLY HA3 . 25149 1 181 . 1 1 18 18 GLY C C 13 173.759 0.4 . 1 . . . A 18 GLY C . 25149 1 182 . 1 1 18 18 GLY CA C 13 44.464 0.4 . 1 . . . A 18 GLY CA . 25149 1 183 . 1 1 18 18 GLY N N 15 107.742 0.4 . 1 . . . A 18 GLY N . 25149 1 184 . 1 1 19 19 CYS H H 1 8.198 0.02 . 1 . . . A 19 CYS H . 25149 1 185 . 1 1 19 19 CYS HA H 1 4.571 0.02 . 1 . . . A 19 CYS HA . 25149 1 186 . 1 1 19 19 CYS HB2 H 1 2.788 0.02 . 2 . . . A 19 CYS HB2 . 25149 1 187 . 1 1 19 19 CYS HB3 H 1 2.788 0.02 . 2 . . . A 19 CYS HB3 . 25149 1 188 . 1 1 19 19 CYS C C 13 174.039 0.4 . 1 . . . A 19 CYS C . 25149 1 189 . 1 1 19 19 CYS CA C 13 58.433 0.4 . 1 . . . A 19 CYS CA . 25149 1 190 . 1 1 19 19 CYS CB C 13 30.681 0.4 . 1 . . . A 19 CYS CB . 25149 1 191 . 1 1 19 19 CYS N N 15 117.05 0.4 . 1 . . . A 19 CYS N . 25149 1 192 . 1 1 20 20 CYS H H 1 8.466 0.02 . 1 . . . A 20 CYS H . 25149 1 193 . 1 1 20 20 CYS HA H 1 4.011 0.02 . 1 . . . A 20 CYS HA . 25149 1 194 . 1 1 20 20 CYS HB2 H 1 3.332 0.02 . 2 . . . A 20 CYS HB2 . 25149 1 195 . 1 1 20 20 CYS HB3 H 1 1.825 0.02 . 2 . . . A 20 CYS HB3 . 25149 1 196 . 1 1 20 20 CYS C C 13 173.736 0.4 . 1 . . . A 20 CYS C . 25149 1 197 . 1 1 20 20 CYS CA C 13 57.999 0.4 . 1 . . . A 20 CYS CA . 25149 1 198 . 1 1 20 20 CYS CB C 13 28.205 0.4 . 1 . . . A 20 CYS CB . 25149 1 199 . 1 1 20 20 CYS N N 15 123.923 0.4 . 1 . . . A 20 CYS N . 25149 1 200 . 1 1 21 21 PRO HA H 1 4.029 0.02 . 1 . . . A 21 PRO HA . 25149 1 201 . 1 1 21 21 PRO HB2 H 1 2.266 0.02 . 2 . . . A 21 PRO HB2 . 25149 1 202 . 1 1 21 21 PRO HB3 H 1 2.266 0.02 . 2 . . . A 21 PRO HB3 . 25149 1 203 . 1 1 21 21 PRO HG2 H 1 1.835 0.02 . 2 . . . A 21 PRO HG2 . 25149 1 204 . 1 1 21 21 PRO HG3 H 1 1.835 0.02 . 2 . . . A 21 PRO HG3 . 25149 1 205 . 1 1 21 21 PRO HD2 H 1 3.867 0.02 . 2 . . . A 21 PRO HD2 . 25149 1 206 . 1 1 21 21 PRO HD3 H 1 3.268 0.02 . 2 . . . A 21 PRO HD3 . 25149 1 207 . 1 1 21 21 PRO CA C 13 65.426 0.4 . 1 . . . A 21 PRO CA . 25149 1 208 . 1 1 21 21 PRO CB C 13 32.801 0.4 . 1 . . . A 21 PRO CB . 25149 1 209 . 1 1 21 21 PRO CG C 13 28.821 0.4 . 1 . . . A 21 PRO CG . 25149 1 210 . 1 1 21 21 PRO CD C 13 50.384 0.4 . 1 . . . A 21 PRO CD . 25149 1 211 . 1 1 22 22 ASP H H 1 8.395 0.02 . 1 . . . A 22 ASP H . 25149 1 212 . 1 1 22 22 ASP HA H 1 4.505 0.02 . 1 . . . A 22 ASP HA . 25149 1 213 . 1 1 22 22 ASP HB2 H 1 2.586 0.02 . 2 . . . A 22 ASP HB2 . 25149 1 214 . 1 1 22 22 ASP HB3 H 1 2.275 0.02 . 2 . . . A 22 ASP HB3 . 25149 1 215 . 1 1 22 22 ASP C C 13 176.501 0.4 . 1 . . . A 22 ASP C . 25149 1 216 . 1 1 22 22 ASP CA C 13 55.017 0.4 . 1 . . . A 22 ASP CA . 25149 1 217 . 1 1 22 22 ASP CB C 13 42.522 0.4 . 1 . . . A 22 ASP CB . 25149 1 218 . 1 1 22 22 ASP N N 15 117.053 0.4 . 1 . . . A 22 ASP N . 25149 1 219 . 1 1 23 23 CYS H H 1 7.246 0.02 . 1 . . . A 23 CYS H . 25149 1 220 . 1 1 23 23 CYS HA H 1 4.293 0.02 . 1 . . . A 23 CYS HA . 25149 1 221 . 1 1 23 23 CYS HB2 H 1 3.018 0.02 . 2 . . . A 23 CYS HB2 . 25149 1 222 . 1 1 23 23 CYS HB3 H 1 2.553 0.02 . 2 . . . A 23 CYS HB3 . 25149 1 223 . 1 1 23 23 CYS C C 13 175.214 0.4 . 1 . . . A 23 CYS C . 25149 1 224 . 1 1 23 23 CYS CA C 13 61.633 0.4 . 1 . . . A 23 CYS CA . 25149 1 225 . 1 1 23 23 CYS CB C 13 31.542 0.4 . 1 . . . A 23 CYS CB . 25149 1 226 . 1 1 23 23 CYS N N 15 123.353 0.4 . 1 . . . A 23 CYS N . 25149 1 227 . 1 1 24 24 LYS H H 1 8.173 0.02 . 1 . . . A 24 LYS H . 25149 1 228 . 1 1 24 24 LYS HA H 1 4.23 0.02 . 1 . . . A 24 LYS HA . 25149 1 229 . 1 1 24 24 LYS HB2 H 1 1.773 0.02 . 2 . . . A 24 LYS HB2 . 25149 1 230 . 1 1 24 24 LYS HB3 H 1 1.603 0.02 . 2 . . . A 24 LYS HB3 . 25149 1 231 . 1 1 24 24 LYS HG2 H 1 1.239 0.02 . 2 . . . A 24 LYS HG2 . 25149 1 232 . 1 1 24 24 LYS HG3 H 1 1.239 0.02 . 2 . . . A 24 LYS HG3 . 25149 1 233 . 1 1 24 24 LYS HD2 H 1 1.505 0.02 . 2 . . . A 24 LYS HD2 . 25149 1 234 . 1 1 24 24 LYS HD3 H 1 1.505 0.02 . 2 . . . A 24 LYS HD3 . 25149 1 235 . 1 1 24 24 LYS HE2 H 1 2.848 0.02 . 2 . . . A 24 LYS HE2 . 25149 1 236 . 1 1 24 24 LYS HE3 H 1 2.848 0.02 . 2 . . . A 24 LYS HE3 . 25149 1 237 . 1 1 24 24 LYS C C 13 177.106 0.4 . 1 . . . A 24 LYS C . 25149 1 238 . 1 1 24 24 LYS CA C 13 56.921 0.4 . 1 . . . A 24 LYS CA . 25149 1 239 . 1 1 24 24 LYS CB C 13 34.615 0.4 . 1 . . . A 24 LYS CB . 25149 1 240 . 1 1 24 24 LYS CG C 13 24.806 0.4 . 1 . . . A 24 LYS CG . 25149 1 241 . 1 1 24 24 LYS CD C 13 28.892 0.4 . 1 . . . A 24 LYS CD . 25149 1 242 . 1 1 24 24 LYS CE C 13 41.813 0.4 . 1 . . . A 24 LYS CE . 25149 1 243 . 1 1 24 24 LYS N N 15 117.539 0.4 . 1 . . . A 24 LYS N . 25149 1 244 . 1 1 25 25 VAL H H 1 7.787 0.02 . 1 . . . A 25 VAL H . 25149 1 245 . 1 1 25 25 VAL HA H 1 4.429 0.02 . 1 . . . A 25 VAL HA . 25149 1 246 . 1 1 25 25 VAL HB H 1 2.014 0.02 . 1 . . . A 25 VAL HB . 25149 1 247 . 1 1 25 25 VAL HG11 H 1 0.844 0.02 . 2 . . . A 25 VAL HG11 . 25149 1 248 . 1 1 25 25 VAL HG12 H 1 0.844 0.02 . 2 . . . A 25 VAL HG11 . 25149 1 249 . 1 1 25 25 VAL HG13 H 1 0.844 0.02 . 2 . . . A 25 VAL HG11 . 25149 1 250 . 1 1 25 25 VAL HG21 H 1 0.769 0.02 . 2 . . . A 25 VAL HG22 . 25149 1 251 . 1 1 25 25 VAL HG22 H 1 0.769 0.02 . 2 . . . A 25 VAL HG22 . 25149 1 252 . 1 1 25 25 VAL HG23 H 1 0.769 0.02 . 2 . . . A 25 VAL HG22 . 25149 1 253 . 1 1 25 25 VAL C C 13 174.027 0.4 . 1 . . . A 25 VAL C . 25149 1 254 . 1 1 25 25 VAL CA C 13 59.934 0.4 . 1 . . . A 25 VAL CA . 25149 1 255 . 1 1 25 25 VAL CB C 13 33.507 0.4 . 1 . . . A 25 VAL CB . 25149 1 256 . 1 1 25 25 VAL CG1 C 13 21.04 0.4 . 1 . . . A 25 VAL CG1 . 25149 1 257 . 1 1 25 25 VAL CG2 C 13 20.595 0.4 . 1 . . . A 25 VAL CG2 . 25149 1 258 . 1 1 25 25 VAL N N 15 120.661 0.4 . 1 . . . A 25 VAL N . 25149 1 259 . 1 1 26 26 PRO HA H 1 4.336 0.02 . 1 . . . A 26 PRO HA . 25149 1 260 . 1 1 26 26 PRO HB2 H 1 1.835 0.02 . 2 . . . A 26 PRO HB2 . 25149 1 261 . 1 1 26 26 PRO HB3 H 1 2.114 0.02 . 2 . . . A 26 PRO HB3 . 25149 1 262 . 1 1 26 26 PRO HG2 H 1 1.935 0.02 . 2 . . . A 26 PRO HG2 . 25149 1 263 . 1 1 26 26 PRO HG3 H 1 1.935 0.02 . 2 . . . A 26 PRO HG3 . 25149 1 264 . 1 1 26 26 PRO HD2 H 1 3.681 0.02 . 2 . . . A 26 PRO HD2 . 25149 1 265 . 1 1 26 26 PRO HD3 H 1 3.611 0.02 . 2 . . . A 26 PRO HD3 . 25149 1 266 . 1 1 26 26 PRO CA C 13 63.279 0.4 . 1 . . . A 26 PRO CA . 25149 1 267 . 1 1 26 26 PRO CB C 13 32.077 0.4 . 1 . . . A 26 PRO CB . 25149 1 268 . 1 1 26 26 PRO CG C 13 27.141 0.4 . 1 . . . A 26 PRO CG . 25149 1 269 . 1 1 26 26 PRO CD C 13 51.044 0.4 . 1 . . . A 26 PRO CD . 25149 1 270 . 1 1 27 27 GLY H H 1 8.569 0.02 . 1 . . . A 27 GLY H . 25149 1 271 . 1 1 27 27 GLY HA2 H 1 4.244 0.02 . 2 . . . A 27 GLY HA2 . 25149 1 272 . 1 1 27 27 GLY HA3 H 1 3.542 0.02 . 2 . . . A 27 GLY HA3 . 25149 1 273 . 1 1 27 27 GLY C C 13 175.169 0.4 . 1 . . . A 27 GLY C . 25149 1 274 . 1 1 27 27 GLY CA C 13 45.042 0.4 . 1 . . . A 27 GLY CA . 25149 1 275 . 1 1 27 27 GLY N N 15 109.926 0.4 . 1 . . . A 27 GLY N . 25149 1 276 . 1 1 28 28 ASP H H 1 8.214 0.02 . 1 . . . A 28 ASP H . 25149 1 277 . 1 1 28 28 ASP HA H 1 4.231 0.02 . 1 . . . A 28 ASP HA . 25149 1 278 . 1 1 28 28 ASP HB2 H 1 2.631 0.02 . 2 . . . A 28 ASP HB2 . 25149 1 279 . 1 1 28 28 ASP HB3 H 1 2.498 0.02 . 2 . . . A 28 ASP HB3 . 25149 1 280 . 1 1 28 28 ASP C C 13 176.602 0.4 . 1 . . . A 28 ASP C . 25149 1 281 . 1 1 28 28 ASP CA C 13 56.402 0.4 . 1 . . . A 28 ASP CA . 25149 1 282 . 1 1 28 28 ASP CB C 13 40.912 0.4 . 1 . . . A 28 ASP CB . 25149 1 283 . 1 1 28 28 ASP N N 15 122.592 0.4 . 1 . . . A 28 ASP N . 25149 1 284 . 1 1 29 29 ASP H H 1 8.271 0.02 . 1 . . . A 29 ASP H . 25149 1 285 . 1 1 29 29 ASP HA H 1 4.447 0.02 . 1 . . . A 29 ASP HA . 25149 1 286 . 1 1 29 29 ASP HB2 H 1 2.721 0.02 . 2 . . . A 29 ASP HB2 . 25149 1 287 . 1 1 29 29 ASP HB3 H 1 2.497 0.02 . 2 . . . A 29 ASP HB3 . 25149 1 288 . 1 1 29 29 ASP C C 13 175.505 0.4 . 1 . . . A 29 ASP C . 25149 1 289 . 1 1 29 29 ASP CA C 13 55.266 0.4 . 1 . . . A 29 ASP CA . 25149 1 290 . 1 1 29 29 ASP CB C 13 41.225 0.4 . 1 . . . A 29 ASP CB . 25149 1 291 . 1 1 29 29 ASP N N 15 117.5 0.4 . 1 . . . A 29 ASP N . 25149 1 292 . 1 1 30 30 CYS H H 1 7.912 0.02 . 1 . . . A 30 CYS H . 25149 1 293 . 1 1 30 30 CYS HA H 1 4.39 0.02 . 1 . . . A 30 CYS HA . 25149 1 294 . 1 1 30 30 CYS HB2 H 1 2.993 0.02 . 2 . . . A 30 CYS HB2 . 25149 1 295 . 1 1 30 30 CYS HB3 H 1 2.934 0.02 . 2 . . . A 30 CYS HB3 . 25149 1 296 . 1 1 30 30 CYS C C 13 171.755 0.4 . 1 . . . A 30 CYS C . 25149 1 297 . 1 1 30 30 CYS CA C 13 57.676 0.4 . 1 . . . A 30 CYS CA . 25149 1 298 . 1 1 30 30 CYS CB C 13 29.154 0.4 . 1 . . . A 30 CYS CB . 25149 1 299 . 1 1 30 30 CYS N N 15 124.47 0.4 . 1 . . . A 30 CYS N . 25149 1 300 . 1 1 31 31 PRO HA H 1 4.687 0.02 . 1 . . . A 31 PRO HA . 25149 1 301 . 1 1 31 31 PRO HB2 H 1 1.992 0.02 . 2 . . . A 31 PRO HB2 . 25149 1 302 . 1 1 31 31 PRO HB3 H 1 2.255 0.02 . 2 . . . A 31 PRO HB3 . 25149 1 303 . 1 1 31 31 PRO HG2 H 1 1.93 0.02 . 2 . . . A 31 PRO HG2 . 25149 1 304 . 1 1 31 31 PRO HG3 H 1 1.65 0.02 . 2 . . . A 31 PRO HG3 . 25149 1 305 . 1 1 31 31 PRO HD2 H 1 3.248 0.02 . 2 . . . A 31 PRO HD2 . 25149 1 306 . 1 1 31 31 PRO HD3 H 1 3.159 0.02 . 2 . . . A 31 PRO HD3 . 25149 1 307 . 1 1 31 31 PRO CA C 13 62.875 0.4 . 1 . . . A 31 PRO CA . 25149 1 308 . 1 1 31 31 PRO CB C 13 33.984 0.4 . 1 . . . A 31 PRO CB . 25149 1 309 . 1 1 31 31 PRO CG C 13 26.639 0.4 . 1 . . . A 31 PRO CG . 25149 1 310 . 1 1 31 31 PRO CD C 13 49.586 0.4 . 1 . . . A 31 PRO CD . 25149 1 311 . 1 1 32 32 LEU H H 1 8.58 0.02 . 1 . . . A 32 LEU H . 25149 1 312 . 1 1 32 32 LEU HA H 1 4.716 0.02 . 1 . . . A 32 LEU HA . 25149 1 313 . 1 1 32 32 LEU HB2 H 1 1.378 0.02 . 2 . . . A 32 LEU HB2 . 25149 1 314 . 1 1 32 32 LEU HB3 H 1 0.421 0.02 . 2 . . . A 32 LEU HB3 . 25149 1 315 . 1 1 32 32 LEU HG H 1 1.621 0.02 . 1 . . . A 32 LEU HG . 25149 1 316 . 1 1 32 32 LEU HD11 H 1 0.449 0.02 . 2 . . . A 32 LEU HD11 . 25149 1 317 . 1 1 32 32 LEU HD12 H 1 0.449 0.02 . 2 . . . A 32 LEU HD11 . 25149 1 318 . 1 1 32 32 LEU HD13 H 1 0.449 0.02 . 2 . . . A 32 LEU HD11 . 25149 1 319 . 1 1 32 32 LEU HD21 H 1 0.566 0.02 . 2 . . . A 32 LEU HD22 . 25149 1 320 . 1 1 32 32 LEU HD22 H 1 0.566 0.02 . 2 . . . A 32 LEU HD22 . 25149 1 321 . 1 1 32 32 LEU HD23 H 1 0.566 0.02 . 2 . . . A 32 LEU HD22 . 25149 1 322 . 1 1 32 32 LEU C C 13 176.3 0.4 . 1 . . . A 32 LEU C . 25149 1 323 . 1 1 32 32 LEU CA C 13 53.921 0.4 . 1 . . . A 32 LEU CA . 25149 1 324 . 1 1 32 32 LEU CB C 13 43.336 0.4 . 1 . . . A 32 LEU CB . 25149 1 325 . 1 1 32 32 LEU CG C 13 26.956 0.4 . 1 . . . A 32 LEU CG . 25149 1 326 . 1 1 32 32 LEU CD1 C 13 24.935 0.4 . 1 . . . A 32 LEU CD1 . 25149 1 327 . 1 1 32 32 LEU CD2 C 13 22.606 0.4 . 1 . . . A 32 LEU CD2 . 25149 1 328 . 1 1 32 32 LEU N N 15 120.023 0.4 . 1 . . . A 32 LEU N . 25149 1 329 . 1 1 33 33 VAL H H 1 8.594 0.02 . 1 . . . A 33 VAL H . 25149 1 330 . 1 1 33 33 VAL HA H 1 4.663 0.02 . 1 . . . A 33 VAL HA . 25149 1 331 . 1 1 33 33 VAL HB H 1 2.201 0.02 . 1 . . . A 33 VAL HB . 25149 1 332 . 1 1 33 33 VAL HG11 H 1 1.272 0.02 . 2 . . . A 33 VAL HG11 . 25149 1 333 . 1 1 33 33 VAL HG12 H 1 1.272 0.02 . 2 . . . A 33 VAL HG11 . 25149 1 334 . 1 1 33 33 VAL HG13 H 1 1.272 0.02 . 2 . . . A 33 VAL HG11 . 25149 1 335 . 1 1 33 33 VAL HG21 H 1 1.039 0.02 . 2 . . . A 33 VAL HG22 . 25149 1 336 . 1 1 33 33 VAL HG22 H 1 1.039 0.02 . 2 . . . A 33 VAL HG22 . 25149 1 337 . 1 1 33 33 VAL HG23 H 1 1.039 0.02 . 2 . . . A 33 VAL HG22 . 25149 1 338 . 1 1 33 33 VAL C C 13 171.374 0.4 . 1 . . . A 33 VAL C . 25149 1 339 . 1 1 33 33 VAL CA C 13 60.449 0.4 . 1 . . . A 33 VAL CA . 25149 1 340 . 1 1 33 33 VAL CB C 13 36.448 0.4 . 1 . . . A 33 VAL CB . 25149 1 341 . 1 1 33 33 VAL CG1 C 13 21.919 0.4 . 1 . . . A 33 VAL CG1 . 25149 1 342 . 1 1 33 33 VAL CG2 C 13 21.745 0.4 . 1 . . . A 33 VAL CG2 . 25149 1 343 . 1 1 33 33 VAL N N 15 116.217 0.4 . 1 . . . A 33 VAL N . 25149 1 344 . 1 1 34 34 TRP H H 1 8.756 0.02 . 1 . . . A 34 TRP H . 25149 1 345 . 1 1 34 34 TRP HA H 1 5.339 0.02 . 1 . . . A 34 TRP HA . 25149 1 346 . 1 1 34 34 TRP HB2 H 1 2.959 0.02 . 2 . . . A 34 TRP HB2 . 25149 1 347 . 1 1 34 34 TRP HB3 H 1 2.9 0.02 . 2 . . . A 34 TRP HB3 . 25149 1 348 . 1 1 34 34 TRP HD1 H 1 6.89 0.02 . 1 . . . A 34 TRP HD1 . 25149 1 349 . 1 1 34 34 TRP HE1 H 1 9.929 0.02 . 1 . . . A 34 TRP HE1 . 25149 1 350 . 1 1 34 34 TRP HE3 H 1 7.175 0.02 . 1 . . . A 34 TRP HE3 . 25149 1 351 . 1 1 34 34 TRP HZ2 H 1 7.084 0.02 . 1 . . . A 34 TRP HZ2 . 25149 1 352 . 1 1 34 34 TRP HZ3 H 1 7.441 0.02 . 1 . . . A 34 TRP HZ3 . 25149 1 353 . 1 1 34 34 TRP HH2 H 1 6.893 0.02 . 1 . . . A 34 TRP HH2 . 25149 1 354 . 1 1 34 34 TRP C C 13 176.77 0.4 . 1 . . . A 34 TRP C . 25149 1 355 . 1 1 34 34 TRP CA C 13 57.267 0.4 . 1 . . . A 34 TRP CA . 25149 1 356 . 1 1 34 34 TRP CB C 13 33.78 0.4 . 1 . . . A 34 TRP CB . 25149 1 357 . 1 1 34 34 TRP CD1 C 13 126.649 0.4 . 1 . . . A 34 TRP CD1 . 25149 1 358 . 1 1 34 34 TRP CE3 C 13 119.436 0.4 . 1 . . . A 34 TRP CE3 . 25149 1 359 . 1 1 34 34 TRP CZ2 C 13 115.258 0.4 . 1 . . . A 34 TRP CZ2 . 25149 1 360 . 1 1 34 34 TRP CZ3 C 13 121.117 0.4 . 1 . . . A 34 TRP CZ3 . 25149 1 361 . 1 1 34 34 TRP CH2 C 13 124.704 0.4 . 1 . . . A 34 TRP CH2 . 25149 1 362 . 1 1 34 34 TRP N N 15 122.711 0.4 . 1 . . . A 34 TRP N . 25149 1 363 . 1 1 34 34 TRP NE1 N 15 129.149 0.4 . 1 . . . A 34 TRP NE1 . 25149 1 364 . 1 1 35 35 GLY H H 1 8.857 0.02 . 1 . . . A 35 GLY H . 25149 1 365 . 1 1 35 35 GLY HA2 H 1 4.008 0.02 . 2 . . . A 35 GLY HA2 . 25149 1 366 . 1 1 35 35 GLY HA3 H 1 2.905 0.02 . 2 . . . A 35 GLY HA3 . 25149 1 367 . 1 1 35 35 GLY C C 13 177.397 0.4 . 1 . . . A 35 GLY C . 25149 1 368 . 1 1 35 35 GLY CA C 13 44.07 0.4 . 1 . . . A 35 GLY CA . 25149 1 369 . 1 1 35 35 GLY N N 15 107.569 0.4 . 1 . . . A 35 GLY N . 25149 1 370 . 1 1 36 36 GLN H H 1 8.338 0.02 . 1 . . . A 36 GLN H . 25149 1 371 . 1 1 36 36 GLN HA H 1 3.746 0.02 . 1 . . . A 36 GLN HA . 25149 1 372 . 1 1 36 36 GLN HB2 H 1 1.865 0.02 . 2 . . . A 36 GLN HB2 . 25149 1 373 . 1 1 36 36 GLN HB3 H 1 1.621 0.02 . 2 . . . A 36 GLN HB3 . 25149 1 374 . 1 1 36 36 GLN HG2 H 1 2.119 0.02 . 2 . . . A 36 GLN HG2 . 25149 1 375 . 1 1 36 36 GLN HG3 H 1 2.071 0.02 . 2 . . . A 36 GLN HG3 . 25149 1 376 . 1 1 36 36 GLN HE21 H 1 7.132 0.02 . 2 . . . A 36 GLN HE21 . 25149 1 377 . 1 1 36 36 GLN HE22 H 1 6.805 0.02 . 2 . . . A 36 GLN HE21 . 25149 1 378 . 1 1 36 36 GLN C C 13 176.445 0.4 . 1 . . . A 36 GLN C . 25149 1 379 . 1 1 36 36 GLN CA C 13 58.429 0.4 . 1 . . . A 36 GLN CA . 25149 1 380 . 1 1 36 36 GLN CB C 13 27.631 0.4 . 1 . . . A 36 GLN CB . 25149 1 381 . 1 1 36 36 GLN CG C 13 33.912 0.4 . 1 . . . A 36 GLN CG . 25149 1 382 . 1 1 36 36 GLN N N 15 122.723 0.4 . 1 . . . A 36 GLN N . 25149 1 383 . 1 1 36 36 GLN NE2 N 15 110.613 0.4 . 1 . . . A 36 GLN NE2 . 25149 1 384 . 1 1 37 37 CYS H H 1 7.622 0.02 . 1 . . . A 37 CYS H . 25149 1 385 . 1 1 37 37 CYS HA H 1 4.284 0.02 . 1 . . . A 37 CYS HA . 25149 1 386 . 1 1 37 37 CYS HB2 H 1 3.192 0.02 . 2 . . . A 37 CYS HB2 . 25149 1 387 . 1 1 37 37 CYS HB3 H 1 2.502 0.02 . 2 . . . A 37 CYS HB3 . 25149 1 388 . 1 1 37 37 CYS C C 13 175.281 0.4 . 1 . . . A 37 CYS C . 25149 1 389 . 1 1 37 37 CYS CA C 13 58.395 0.4 . 1 . . . A 37 CYS CA . 25149 1 390 . 1 1 37 37 CYS CB C 13 31.143 0.4 . 1 . . . A 37 CYS CB . 25149 1 391 . 1 1 37 37 CYS N N 15 115.763 0.4 . 1 . . . A 37 CYS N . 25149 1 392 . 1 1 38 38 SER H H 1 7.716 0.02 . 1 . . . A 38 SER H . 25149 1 393 . 1 1 38 38 SER HA H 1 4.004 0.02 . 1 . . . A 38 SER HA . 25149 1 394 . 1 1 38 38 SER HB2 H 1 3.834 0.02 . 2 . . . A 38 SER HB2 . 25149 1 395 . 1 1 38 38 SER HB3 H 1 3.834 0.02 . 2 . . . A 38 SER HB3 . 25149 1 396 . 1 1 38 38 SER C C 13 173.389 0.4 . 1 . . . A 38 SER C . 25149 1 397 . 1 1 38 38 SER CA C 13 62.285 0.4 . 1 . . . A 38 SER CA . 25149 1 398 . 1 1 38 38 SER N N 15 114.54 0.4 . 1 . . . A 38 SER N . 25149 1 399 . 1 1 39 39 HIS H H 1 7.829 0.02 . 1 . . . A 39 HIS H . 25149 1 400 . 1 1 39 39 HIS HA H 1 4.444 0.02 . 1 . . . A 39 HIS HA . 25149 1 401 . 1 1 39 39 HIS HB2 H 1 3.216 0.02 . 2 . . . A 39 HIS HB2 . 25149 1 402 . 1 1 39 39 HIS HB3 H 1 2.735 0.02 . 2 . . . A 39 HIS HB3 . 25149 1 403 . 1 1 39 39 HIS HD2 H 1 7.18 0.02 . 1 . . . A 39 HIS HD2 . 25149 1 404 . 1 1 39 39 HIS HE1 H 1 7.688 0.02 . 1 . . . A 39 HIS HE1 . 25149 1 405 . 1 1 39 39 HIS C C 13 172.326 0.4 . 1 . . . A 39 HIS C . 25149 1 406 . 1 1 39 39 HIS CA C 13 61.32 0.4 . 1 . . . A 39 HIS CA . 25149 1 407 . 1 1 39 39 HIS CB C 13 31.523 0.4 . 1 . . . A 39 HIS CB . 25149 1 408 . 1 1 39 39 HIS CD2 C 13 119.367 0.4 . 1 . . . A 39 HIS CD2 . 25149 1 409 . 1 1 39 39 HIS CE1 C 13 138.078 0.4 . 1 . . . A 39 HIS CE1 . 25149 1 410 . 1 1 39 39 HIS N N 15 121.947 0.4 . 1 . . . A 39 HIS N . 25149 1 411 . 1 1 40 40 CYS H H 1 8.049 0.02 . 1 . . . A 40 CYS H . 25149 1 412 . 1 1 40 40 CYS HA H 1 4.609 0.02 . 1 . . . A 40 CYS HA . 25149 1 413 . 1 1 40 40 CYS HB2 H 1 1.478 0.02 . 2 . . . A 40 CYS HB2 . 25149 1 414 . 1 1 40 40 CYS HB3 H 1 1.309 0.02 . 2 . . . A 40 CYS HB3 . 25149 1 415 . 1 1 40 40 CYS C C 13 171.9 0.4 . 1 . . . A 40 CYS C . 25149 1 416 . 1 1 40 40 CYS CA C 13 55.791 0.4 . 1 . . . A 40 CYS CA . 25149 1 417 . 1 1 40 40 CYS CB C 13 28.964 0.4 . 1 . . . A 40 CYS CB . 25149 1 418 . 1 1 40 40 CYS N N 15 121.859 0.4 . 1 . . . A 40 CYS N . 25149 1 419 . 1 1 41 41 PHE H H 1 8.368 0.02 . 1 . . . A 41 PHE H . 25149 1 420 . 1 1 41 41 PHE HA H 1 5.177 0.02 . 1 . . . A 41 PHE HA . 25149 1 421 . 1 1 41 41 PHE HB2 H 1 3.272 0.02 . 2 . . . A 41 PHE HB2 . 25149 1 422 . 1 1 41 41 PHE HB3 H 1 1.933 0.02 . 2 . . . A 41 PHE HB3 . 25149 1 423 . 1 1 41 41 PHE HD1 H 1 7.158 0.02 . 1 . . . A 41 PHE HD1 . 25149 1 424 . 1 1 41 41 PHE HD2 H 1 7.158 0.02 . 1 . . . A 41 PHE HD2 . 25149 1 425 . 1 1 41 41 PHE HE1 H 1 7.115 0.02 . 1 . . . A 41 PHE HE1 . 25149 1 426 . 1 1 41 41 PHE HE2 H 1 7.115 0.02 . 1 . . . A 41 PHE HE2 . 25149 1 427 . 1 1 41 41 PHE HZ H 1 6.911 0.02 . 1 . . . A 41 PHE HZ . 25149 1 428 . 1 1 41 41 PHE C C 13 176.613 0.4 . 1 . . . A 41 PHE C . 25149 1 429 . 1 1 41 41 PHE CA C 13 56.033 0.4 . 1 . . . A 41 PHE CA . 25149 1 430 . 1 1 41 41 PHE CB C 13 45.76 0.4 . 1 . . . A 41 PHE CB . 25149 1 431 . 1 1 41 41 PHE CD1 C 13 133.004 0.4 . 1 . . . A 41 PHE CD1 . 25149 1 432 . 1 1 41 41 PHE CE1 C 13 133.147 0.4 . 1 . . . A 41 PHE CE1 . 25149 1 433 . 1 1 41 41 PHE CZ C 13 129.172 0.4 . 1 . . . A 41 PHE CZ . 25149 1 434 . 1 1 41 41 PHE N N 15 120.69 0.4 . 1 . . . A 41 PHE N . 25149 1 435 . 1 1 42 42 HIS H H 1 8.384 0.02 . 1 . . . A 42 HIS H . 25149 1 436 . 1 1 42 42 HIS HA H 1 4.669 0.02 . 1 . . . A 42 HIS HA . 25149 1 437 . 1 1 42 42 HIS HB2 H 1 4.11 0.02 . 2 . . . A 42 HIS HB2 . 25149 1 438 . 1 1 42 42 HIS HB3 H 1 3.611 0.02 . 2 . . . A 42 HIS HB3 . 25149 1 439 . 1 1 42 42 HIS HD2 H 1 7.302 0.02 . 1 . . . A 42 HIS HD2 . 25149 1 440 . 1 1 42 42 HIS HE1 H 1 6.908 0.02 . 1 . . . A 42 HIS HE1 . 25149 1 441 . 1 1 42 42 HIS C C 13 177.464 0.4 . 1 . . . A 42 HIS C . 25149 1 442 . 1 1 42 42 HIS CA C 13 60.425 0.4 . 1 . . . A 42 HIS CA . 25149 1 443 . 1 1 42 42 HIS CB C 13 29.74 0.4 . 1 . . . A 42 HIS CB . 25149 1 444 . 1 1 42 42 HIS CD2 C 13 120.581 0.4 . 1 . . . A 42 HIS CD2 . 25149 1 445 . 1 1 42 42 HIS CE1 C 13 138.302 0.4 . 1 . . . A 42 HIS CE1 . 25149 1 446 . 1 1 42 42 HIS N N 15 117.057 0.4 . 1 . . . A 42 HIS N . 25149 1 447 . 1 1 43 43 MET H H 1 9.439 0.02 . 1 . . . A 43 MET H . 25149 1 448 . 1 1 43 43 MET HA H 1 3.965 0.02 . 1 . . . A 43 MET HA . 25149 1 449 . 1 1 43 43 MET HB2 H 1 1.801 0.02 . 2 . . . A 43 MET HB2 . 25149 1 450 . 1 1 43 43 MET HB3 H 1 1.674 0.02 . 2 . . . A 43 MET HB3 . 25149 1 451 . 1 1 43 43 MET HG2 H 1 2.398 0.02 . 2 . . . A 43 MET HG2 . 25149 1 452 . 1 1 43 43 MET HG3 H 1 2.297 0.02 . 2 . . . A 43 MET HG3 . 25149 1 453 . 1 1 43 43 MET HE1 H 1 1.926 0.02 . 1 . . . A 43 MET HE1 . 25149 1 454 . 1 1 43 43 MET HE2 H 1 1.926 0.02 . 1 . . . A 43 MET HE2 . 25149 1 455 . 1 1 43 43 MET HE3 H 1 1.926 0.02 . 1 . . . A 43 MET HE3 . 25149 1 456 . 1 1 43 43 MET C C 13 177.845 0.4 . 1 . . . A 43 MET C . 25149 1 457 . 1 1 43 43 MET CA C 13 59.209 0.4 . 1 . . . A 43 MET CA . 25149 1 458 . 1 1 43 43 MET CB C 13 33.009 0.4 . 1 . . . A 43 MET CB . 25149 1 459 . 1 1 43 43 MET CG C 13 31.839 0.4 . 1 . . . A 43 MET CG . 25149 1 460 . 1 1 43 43 MET CE C 13 17.94 0.4 . 1 . . . A 43 MET CE . 25149 1 461 . 1 1 43 43 MET N N 15 128.543 0.4 . 1 . . . A 43 MET N . 25149 1 462 . 1 1 44 44 HIS H H 1 9.747 0.02 . 1 . . . A 44 HIS H . 25149 1 463 . 1 1 44 44 HIS HA H 1 4.256 0.02 . 1 . . . A 44 HIS HA . 25149 1 464 . 1 1 44 44 HIS HB2 H 1 3.434 0.02 . 2 . . . A 44 HIS HB2 . 25149 1 465 . 1 1 44 44 HIS HB3 H 1 3.265 0.02 . 2 . . . A 44 HIS HB3 . 25149 1 466 . 1 1 44 44 HIS HD2 H 1 6.774 0.02 . 1 . . . A 44 HIS HD2 . 25149 1 467 . 1 1 44 44 HIS HE1 H 1 8.246 0.02 . 1 . . . A 44 HIS HE1 . 25149 1 468 . 1 1 44 44 HIS C C 13 178.405 0.4 . 1 . . . A 44 HIS C . 25149 1 469 . 1 1 44 44 HIS CA C 13 58.793 0.4 . 1 . . . A 44 HIS CA . 25149 1 470 . 1 1 44 44 HIS CB C 13 32.747 0.4 . 1 . . . A 44 HIS CB . 25149 1 471 . 1 1 44 44 HIS CD2 C 13 116.134 0.4 . 1 . . . A 44 HIS CD2 . 25149 1 472 . 1 1 44 44 HIS CE1 C 13 140.435 0.4 . 1 . . . A 44 HIS CE1 . 25149 1 473 . 1 1 44 44 HIS N N 15 116.5 0.4 . 1 . . . A 44 HIS N . 25149 1 474 . 1 1 45 45 CYS H H 1 6.845 0.02 . 1 . . . A 45 CYS H . 25149 1 475 . 1 1 45 45 CYS HA H 1 4 0.02 . 1 . . . A 45 CYS HA . 25149 1 476 . 1 1 45 45 CYS HB2 H 1 3.117 0.02 . 2 . . . A 45 CYS HB2 . 25149 1 477 . 1 1 45 45 CYS HB3 H 1 2.808 0.02 . 2 . . . A 45 CYS HB3 . 25149 1 478 . 1 1 45 45 CYS C C 13 177.957 0.4 . 1 . . . A 45 CYS C . 25149 1 479 . 1 1 45 45 CYS CA C 13 62.923 0.4 . 1 . . . A 45 CYS CA . 25149 1 480 . 1 1 45 45 CYS CB C 13 29.102 0.4 . 1 . . . A 45 CYS CB . 25149 1 481 . 1 1 45 45 CYS N N 15 115.95 0.4 . 1 . . . A 45 CYS N . 25149 1 482 . 1 1 46 46 ILE H H 1 7.816 0.02 . 1 . . . A 46 ILE H . 25149 1 483 . 1 1 46 46 ILE HA H 1 3.665 0.02 . 1 . . . A 46 ILE HA . 25149 1 484 . 1 1 46 46 ILE HB H 1 1.027 0.02 . 1 . . . A 46 ILE HB . 25149 1 485 . 1 1 46 46 ILE HG12 H 1 0.26 0.02 . 2 . . . A 46 ILE HG12 . 25149 1 486 . 1 1 46 46 ILE HG13 H 1 -0.178 0.02 . 2 . . . A 46 ILE HG13 . 25149 1 487 . 1 1 46 46 ILE HG21 H 1 0.895 0.02 . 1 . . . A 46 ILE HG22 . 25149 1 488 . 1 1 46 46 ILE HG22 H 1 0.895 0.02 . 1 . . . A 46 ILE HG22 . 25149 1 489 . 1 1 46 46 ILE HG23 H 1 0.895 0.02 . 1 . . . A 46 ILE HG22 . 25149 1 490 . 1 1 46 46 ILE HD11 H 1 -0.813 0.02 . 1 . . . A 46 ILE HD11 . 25149 1 491 . 1 1 46 46 ILE HD12 H 1 -0.813 0.02 . 1 . . . A 46 ILE HD11 . 25149 1 492 . 1 1 46 46 ILE HD13 H 1 -0.813 0.02 . 1 . . . A 46 ILE HD11 . 25149 1 493 . 1 1 46 46 ILE C C 13 176.613 0.4 . 1 . . . A 46 ILE C . 25149 1 494 . 1 1 46 46 ILE CA C 13 60.242 0.4 . 1 . . . A 46 ILE CA . 25149 1 495 . 1 1 46 46 ILE CB C 13 37.319 0.4 . 1 . . . A 46 ILE CB . 25149 1 496 . 1 1 46 46 ILE CG1 C 13 29.057 0.4 . 1 . . . A 46 ILE CG1 . 25149 1 497 . 1 1 46 46 ILE CG2 C 13 19.82 0.4 . 1 . . . A 46 ILE CG2 . 25149 1 498 . 1 1 46 46 ILE CD1 C 13 12.194 0.4 . 1 . . . A 46 ILE CD1 . 25149 1 499 . 1 1 46 46 ILE N N 15 119.362 0.4 . 1 . . . A 46 ILE N . 25149 1 500 . 1 1 47 47 LEU H H 1 8.266 0.02 . 1 . . . A 47 LEU H . 25149 1 501 . 1 1 47 47 LEU HA H 1 3.873 0.02 . 1 . . . A 47 LEU HA . 25149 1 502 . 1 1 47 47 LEU HB2 H 1 1.785 0.02 . 2 . . . A 47 LEU HB2 . 25149 1 503 . 1 1 47 47 LEU HB3 H 1 1.274 0.02 . 2 . . . A 47 LEU HB3 . 25149 1 504 . 1 1 47 47 LEU HG H 1 1.534 0.02 . 1 . . . A 47 LEU HG . 25149 1 505 . 1 1 47 47 LEU HD11 H 1 0.878 0.02 . 2 . . . A 47 LEU HD11 . 25149 1 506 . 1 1 47 47 LEU HD12 H 1 0.878 0.02 . 2 . . . A 47 LEU HD11 . 25149 1 507 . 1 1 47 47 LEU HD13 H 1 0.878 0.02 . 2 . . . A 47 LEU HD11 . 25149 1 508 . 1 1 47 47 LEU HD21 H 1 0.881 0.02 . 2 . . . A 47 LEU HD22 . 25149 1 509 . 1 1 47 47 LEU HD22 H 1 0.881 0.02 . 2 . . . A 47 LEU HD22 . 25149 1 510 . 1 1 47 47 LEU HD23 H 1 0.881 0.02 . 2 . . . A 47 LEU HD22 . 25149 1 511 . 1 1 47 47 LEU C C 13 179.726 0.4 . 1 . . . A 47 LEU C . 25149 1 512 . 1 1 47 47 LEU CA C 13 58.633 0.4 . 1 . . . A 47 LEU CA . 25149 1 513 . 1 1 47 47 LEU CB C 13 41.123 0.4 . 1 . . . A 47 LEU CB . 25149 1 514 . 1 1 47 47 LEU CG C 13 25.76 0.4 . 1 . . . A 47 LEU CG . 25149 1 515 . 1 1 47 47 LEU CD1 C 13 22.42 0.4 . 1 . . . A 47 LEU CD1 . 25149 1 516 . 1 1 47 47 LEU CD2 C 13 25.888 0.4 . 1 . . . A 47 LEU CD2 . 25149 1 517 . 1 1 47 47 LEU N N 15 122.18 0.4 . 1 . . . A 47 LEU N . 25149 1 518 . 1 1 48 48 LYS H H 1 7.147 0.02 . 1 . . . A 48 LYS H . 25149 1 519 . 1 1 48 48 LYS HA H 1 3.864 0.02 . 1 . . . A 48 LYS HA . 25149 1 520 . 1 1 48 48 LYS HB2 H 1 1.882 0.02 . 2 . . . A 48 LYS HB2 . 25149 1 521 . 1 1 48 48 LYS HB3 H 1 1.847 0.02 . 2 . . . A 48 LYS HB3 . 25149 1 522 . 1 1 48 48 LYS HG2 H 1 1.306 0.02 . 2 . . . A 48 LYS HG2 . 25149 1 523 . 1 1 48 48 LYS HG3 H 1 1.306 0.02 . 2 . . . A 48 LYS HG3 . 25149 1 524 . 1 1 48 48 LYS HD2 H 1 1.573 0.02 . 2 . . . A 48 LYS HD2 . 25149 1 525 . 1 1 48 48 LYS HD3 H 1 1.573 0.02 . 2 . . . A 48 LYS HD3 . 25149 1 526 . 1 1 48 48 LYS HE2 H 1 2.826 0.02 . 2 . . . A 48 LYS HE2 . 25149 1 527 . 1 1 48 48 LYS HE3 H 1 2.826 0.02 . 2 . . . A 48 LYS HE3 . 25149 1 528 . 1 1 48 48 LYS C C 13 179.423 0.4 . 1 . . . A 48 LYS C . 25149 1 529 . 1 1 48 48 LYS CA C 13 59.987 0.4 . 1 . . . A 48 LYS CA . 25149 1 530 . 1 1 48 48 LYS CB C 13 32.765 0.4 . 1 . . . A 48 LYS CB . 25149 1 531 . 1 1 48 48 LYS CG C 13 25.816 0.4 . 1 . . . A 48 LYS CG . 25149 1 532 . 1 1 48 48 LYS CD C 13 29.744 0.4 . 1 . . . A 48 LYS CD . 25149 1 533 . 1 1 48 48 LYS CE C 13 41.829 0.4 . 1 . . . A 48 LYS CE . 25149 1 534 . 1 1 48 48 LYS N N 15 118.251 0.4 . 1 . . . A 48 LYS N . 25149 1 535 . 1 1 49 49 TRP H H 1 7.709 0.02 . 1 . . . A 49 TRP H . 25149 1 536 . 1 1 49 49 TRP HA H 1 4.08 0.02 . 1 . . . A 49 TRP HA . 25149 1 537 . 1 1 49 49 TRP HB2 H 1 3.026 0.02 . 2 . . . A 49 TRP HB2 . 25149 1 538 . 1 1 49 49 TRP HB3 H 1 3.026 0.02 . 2 . . . A 49 TRP HB3 . 25149 1 539 . 1 1 49 49 TRP HD1 H 1 6.41 0.02 . 1 . . . A 49 TRP HD1 . 25149 1 540 . 1 1 49 49 TRP HE1 H 1 9.761 0.02 . 1 . . . A 49 TRP HE1 . 25149 1 541 . 1 1 49 49 TRP HE3 H 1 7.337 0.02 . 1 . . . A 49 TRP HE3 . 25149 1 542 . 1 1 49 49 TRP HZ2 H 1 7.083 0.02 . 1 . . . A 49 TRP HZ2 . 25149 1 543 . 1 1 49 49 TRP HZ3 H 1 6.956 0.02 . 1 . . . A 49 TRP HZ3 . 25149 1 544 . 1 1 49 49 TRP HH2 H 1 7.003 0.02 . 1 . . . A 49 TRP HH2 . 25149 1 545 . 1 1 49 49 TRP C C 13 178.147 0.4 . 1 . . . A 49 TRP C . 25149 1 546 . 1 1 49 49 TRP CA C 13 60.545 0.4 . 1 . . . A 49 TRP CA . 25149 1 547 . 1 1 49 49 TRP CB C 13 29.415 0.4 . 1 . . . A 49 TRP CB . 25149 1 548 . 1 1 49 49 TRP CD1 C 13 126.092 0.4 . 1 . . . A 49 TRP CD1 . 25149 1 549 . 1 1 49 49 TRP CE3 C 13 123.186 0.4 . 1 . . . A 49 TRP CE3 . 25149 1 550 . 1 1 49 49 TRP CZ2 C 13 114.267 0.4 . 1 . . . A 49 TRP CZ2 . 25149 1 551 . 1 1 49 49 TRP CZ3 C 13 122.625 0.4 . 1 . . . A 49 TRP CZ3 . 25149 1 552 . 1 1 49 49 TRP CH2 C 13 124.77 0.4 . 1 . . . A 49 TRP CH2 . 25149 1 553 . 1 1 49 49 TRP N N 15 120.745 0.4 . 1 . . . A 49 TRP N . 25149 1 554 . 1 1 49 49 TRP NE1 N 15 128.685 0.4 . 1 . . . A 49 TRP NE1 . 25149 1 555 . 1 1 50 50 LEU H H 1 8.512 0.02 . 1 . . . A 50 LEU H . 25149 1 556 . 1 1 50 50 LEU HA H 1 3.605 0.02 . 1 . . . A 50 LEU HA . 25149 1 557 . 1 1 50 50 LEU HB2 H 1 1.55 0.02 . 2 . . . A 50 LEU HB2 . 25149 1 558 . 1 1 50 50 LEU HB3 H 1 1.263 0.02 . 2 . . . A 50 LEU HB3 . 25149 1 559 . 1 1 50 50 LEU HG H 1 1.531 0.02 . 1 . . . A 50 LEU HG . 25149 1 560 . 1 1 50 50 LEU HD11 H 1 0.422 0.02 . 2 . . . A 50 LEU HD11 . 25149 1 561 . 1 1 50 50 LEU HD12 H 1 0.422 0.02 . 2 . . . A 50 LEU HD11 . 25149 1 562 . 1 1 50 50 LEU HD13 H 1 0.422 0.02 . 2 . . . A 50 LEU HD11 . 25149 1 563 . 1 1 50 50 LEU HD21 H 1 0.328 0.02 . 2 . . . A 50 LEU HD22 . 25149 1 564 . 1 1 50 50 LEU HD22 H 1 0.328 0.02 . 2 . . . A 50 LEU HD22 . 25149 1 565 . 1 1 50 50 LEU HD23 H 1 0.328 0.02 . 2 . . . A 50 LEU HD22 . 25149 1 566 . 1 1 50 50 LEU C C 13 179.658 0.4 . 1 . . . A 50 LEU C . 25149 1 567 . 1 1 50 50 LEU CA C 13 57.33 0.4 . 1 . . . A 50 LEU CA . 25149 1 568 . 1 1 50 50 LEU CB C 13 41.416 0.4 . 1 . . . A 50 LEU CB . 25149 1 569 . 1 1 50 50 LEU CG C 13 26.101 0.4 . 1 . . . A 50 LEU CG . 25149 1 570 . 1 1 50 50 LEU CD1 C 13 21.569 0.4 . 1 . . . A 50 LEU CD1 . 25149 1 571 . 1 1 50 50 LEU CD2 C 13 26.101 0.4 . 1 . . . A 50 LEU CD2 . 25149 1 572 . 1 1 50 50 LEU N N 15 117.236 0.4 . 1 . . . A 50 LEU N . 25149 1 573 . 1 1 51 51 HIS H H 1 7.713 0.02 . 1 . . . A 51 HIS H . 25149 1 574 . 1 1 51 51 HIS HA H 1 4.274 0.02 . 1 . . . A 51 HIS HA . 25149 1 575 . 1 1 51 51 HIS HB2 H 1 3.056 0.02 . 2 . . . A 51 HIS HB2 . 25149 1 576 . 1 1 51 51 HIS HB3 H 1 3.056 0.02 . 2 . . . A 51 HIS HB3 . 25149 1 577 . 1 1 51 51 HIS HD2 H 1 7.298 0.02 . 1 . . . A 51 HIS HD2 . 25149 1 578 . 1 1 51 51 HIS HE1 H 1 7.96 0.02 . 1 . . . A 51 HIS HE1 . 25149 1 579 . 1 1 51 51 HIS C C 13 175.942 0.4 . 1 . . . A 51 HIS C . 25149 1 580 . 1 1 51 51 HIS CA C 13 57.32 0.4 . 1 . . . A 51 HIS CA . 25149 1 581 . 1 1 51 51 HIS CB C 13 29.487 0.4 . 1 . . . A 51 HIS CB . 25149 1 582 . 1 1 51 51 HIS CD2 C 13 120.258 0.4 . 1 . . . A 51 HIS CD2 . 25149 1 583 . 1 1 51 51 HIS CE1 C 13 137.361 0.4 . 1 . . . A 51 HIS CE1 . 25149 1 584 . 1 1 51 51 HIS N N 15 115.65 0.4 . 1 . . . A 51 HIS N . 25149 1 585 . 1 1 52 52 ALA H H 1 7.191 0.02 . 1 . . . A 52 ALA H . 25149 1 586 . 1 1 52 52 ALA HA H 1 4.023 0.02 . 1 . . . A 52 ALA HA . 25149 1 587 . 1 1 52 52 ALA HB1 H 1 1.168 0.02 . 1 . . . A 52 ALA HB1 . 25149 1 588 . 1 1 52 52 ALA HB2 H 1 1.168 0.02 . 1 . . . A 52 ALA HB2 . 25149 1 589 . 1 1 52 52 ALA HB3 H 1 1.168 0.02 . 1 . . . A 52 ALA HB3 . 25149 1 590 . 1 1 52 52 ALA C C 13 177.834 0.4 . 1 . . . A 52 ALA C . 25149 1 591 . 1 1 52 52 ALA CA C 13 52.865 0.4 . 1 . . . A 52 ALA CA . 25149 1 592 . 1 1 52 52 ALA CB C 13 18.951 0.4 . 1 . . . A 52 ALA CB . 25149 1 593 . 1 1 52 52 ALA N N 15 119.779 0.4 . 1 . . . A 52 ALA N . 25149 1 594 . 1 1 53 53 GLN H H 1 7.317 0.02 . 1 . . . A 53 GLN H . 25149 1 595 . 1 1 53 53 GLN HA H 1 3.933 0.02 . 1 . . . A 53 GLN HA . 25149 1 596 . 1 1 53 53 GLN HB2 H 1 1.563 0.02 . 2 . . . A 53 GLN HB2 . 25149 1 597 . 1 1 53 53 GLN HB3 H 1 1.563 0.02 . 2 . . . A 53 GLN HB3 . 25149 1 598 . 1 1 53 53 GLN HG2 H 1 1.714 0.02 . 2 . . . A 53 GLN HG2 . 25149 1 599 . 1 1 53 53 GLN HG3 H 1 1.57 0.02 . 2 . . . A 53 GLN HG3 . 25149 1 600 . 1 1 53 53 GLN HE21 H 1 6.423 0.02 . 2 . . . A 53 GLN HE21 . 25149 1 601 . 1 1 53 53 GLN HE22 H 1 5.681 0.02 . 2 . . . A 53 GLN HE21 . 25149 1 602 . 1 1 53 53 GLN C C 13 175.998 0.4 . 1 . . . A 53 GLN C . 25149 1 603 . 1 1 53 53 GLN CA C 13 55.482 0.4 . 1 . . . A 53 GLN CA . 25149 1 604 . 1 1 53 53 GLN CB C 13 28.887 0.4 . 1 . . . A 53 GLN CB . 25149 1 605 . 1 1 53 53 GLN CG C 13 32.998 0.4 . 1 . . . A 53 GLN CG . 25149 1 606 . 1 1 53 53 GLN N N 15 117.047 0.4 . 1 . . . A 53 GLN N . 25149 1 607 . 1 1 53 53 GLN NE2 N 15 110.677 0.4 . 1 . . . A 53 GLN NE2 . 25149 1 608 . 1 1 54 54 GLN H H 1 7.949 0.02 . 1 . . . A 54 GLN H . 25149 1 609 . 1 1 54 54 GLN HA H 1 3.989 0.02 . 1 . . . A 54 GLN HA . 25149 1 610 . 1 1 54 54 GLN HB2 H 1 1.951 0.02 . 2 . . . A 54 GLN HB2 . 25149 1 611 . 1 1 54 54 GLN HB3 H 1 1.813 0.02 . 2 . . . A 54 GLN HB3 . 25149 1 612 . 1 1 54 54 GLN HG2 H 1 2.135 0.02 . 2 . . . A 54 GLN HG2 . 25149 1 613 . 1 1 54 54 GLN HG3 H 1 2.135 0.02 . 2 . . . A 54 GLN HG3 . 25149 1 614 . 1 1 54 54 GLN HE21 H 1 7.248 0.02 . 2 . . . A 54 GLN HE21 . 25149 1 615 . 1 1 54 54 GLN HE22 H 1 6.579 0.02 . 2 . . . A 54 GLN HE21 . 25149 1 616 . 1 1 54 54 GLN C C 13 176.3 0.4 . 1 . . . A 54 GLN C . 25149 1 617 . 1 1 54 54 GLN CA C 13 57.314 0.4 . 1 . . . A 54 GLN CA . 25149 1 618 . 1 1 54 54 GLN CB C 13 28.823 0.4 . 1 . . . A 54 GLN CB . 25149 1 619 . 1 1 54 54 GLN CG C 13 34.12 0.4 . 1 . . . A 54 GLN CG . 25149 1 620 . 1 1 54 54 GLN N N 15 118.463 0.4 . 1 . . . A 54 GLN N . 25149 1 621 . 1 1 54 54 GLN NE2 N 15 111.975 0.4 . 1 . . . A 54 GLN NE2 . 25149 1 622 . 1 1 55 55 VAL H H 1 7.801 0.02 . 1 . . . A 55 VAL H . 25149 1 623 . 1 1 55 55 VAL HA H 1 3.884 0.02 . 1 . . . A 55 VAL HA . 25149 1 624 . 1 1 55 55 VAL HB H 1 1.997 0.02 . 1 . . . A 55 VAL HB . 25149 1 625 . 1 1 55 55 VAL HG11 H 1 0.739 0.02 . 2 . . . A 55 VAL HG11 . 25149 1 626 . 1 1 55 55 VAL HG12 H 1 0.739 0.02 . 2 . . . A 55 VAL HG11 . 25149 1 627 . 1 1 55 55 VAL HG13 H 1 0.739 0.02 . 2 . . . A 55 VAL HG11 . 25149 1 628 . 1 1 55 55 VAL HG21 H 1 0.739 0.02 . 2 . . . A 55 VAL HG22 . 25149 1 629 . 1 1 55 55 VAL HG22 H 1 0.739 0.02 . 2 . . . A 55 VAL HG22 . 25149 1 630 . 1 1 55 55 VAL HG23 H 1 0.739 0.02 . 2 . . . A 55 VAL HG22 . 25149 1 631 . 1 1 55 55 VAL C C 13 175.774 0.4 . 1 . . . A 55 VAL C . 25149 1 632 . 1 1 55 55 VAL CA C 13 63.21 0.4 . 1 . . . A 55 VAL CA . 25149 1 633 . 1 1 55 55 VAL CB C 13 32.87 0.4 . 1 . . . A 55 VAL CB . 25149 1 634 . 1 1 55 55 VAL CG1 C 13 20.375 0.4 . 1 . . . A 55 VAL CG1 . 25149 1 635 . 1 1 55 55 VAL N N 15 116.755 0.4 . 1 . . . A 55 VAL N . 25149 1 636 . 1 1 56 56 GLN H H 1 8.018 0.02 . 1 . . . A 56 GLN H . 25149 1 637 . 1 1 56 56 GLN HA H 1 4.117 0.02 . 1 . . . A 56 GLN HA . 25149 1 638 . 1 1 56 56 GLN HB2 H 1 1.674 0.02 . 2 . . . A 56 GLN HB2 . 25149 1 639 . 1 1 56 56 GLN HB3 H 1 1.674 0.02 . 2 . . . A 56 GLN HB3 . 25149 1 640 . 1 1 56 56 GLN HG2 H 1 2.036 0.02 . 2 . . . A 56 GLN HG2 . 25149 1 641 . 1 1 56 56 GLN HG3 H 1 2.036 0.02 . 2 . . . A 56 GLN HG3 . 25149 1 642 . 1 1 56 56 GLN HE21 H 1 7.335 0.02 . 2 . . . A 56 GLN HE21 . 25149 1 643 . 1 1 56 56 GLN HE22 H 1 6.592 0.02 . 2 . . . A 56 GLN HE21 . 25149 1 644 . 1 1 56 56 GLN C C 13 175.236 0.4 . 1 . . . A 56 GLN C . 25149 1 645 . 1 1 56 56 GLN CA C 13 55.697 0.4 . 1 . . . A 56 GLN CA . 25149 1 646 . 1 1 56 56 GLN CB C 13 29.319 0.4 . 1 . . . A 56 GLN CB . 25149 1 647 . 1 1 56 56 GLN CG C 13 34.051 0.4 . 1 . . . A 56 GLN CG . 25149 1 648 . 1 1 56 56 GLN N N 15 120.192 0.4 . 1 . . . A 56 GLN N . 25149 1 649 . 1 1 56 56 GLN NE2 N 15 111.493 0.4 . 1 . . . A 56 GLN NE2 . 25149 1 650 . 1 1 57 57 GLN H H 1 8.471 0.02 . 1 . . . A 57 GLN H . 25149 1 651 . 1 1 57 57 GLN HA H 1 4.204 0.02 . 1 . . . A 57 GLN HA . 25149 1 652 . 1 1 57 57 GLN HB2 H 1 2.011 0.02 . 2 . . . A 57 GLN HB2 . 25149 1 653 . 1 1 57 57 GLN HB3 H 1 1.837 0.02 . 2 . . . A 57 GLN HB3 . 25149 1 654 . 1 1 57 57 GLN HG2 H 1 2.23 0.02 . 2 . . . A 57 GLN HG2 . 25149 1 655 . 1 1 57 57 GLN HG3 H 1 2.148 0.02 . 2 . . . A 57 GLN HG3 . 25149 1 656 . 1 1 57 57 GLN HE21 H 1 7.221 0.02 . 2 . . . A 57 GLN HE21 . 25149 1 657 . 1 1 57 57 GLN HE22 H 1 6.701 0.02 . 2 . . . A 57 GLN HE21 . 25149 1 658 . 1 1 57 57 GLN C C 13 175.819 0.4 . 1 . . . A 57 GLN C . 25149 1 659 . 1 1 57 57 GLN CA C 13 55.617 0.4 . 1 . . . A 57 GLN CA . 25149 1 660 . 1 1 57 57 GLN CB C 13 29.094 0.4 . 1 . . . A 57 GLN CB . 25149 1 661 . 1 1 57 57 GLN CG C 13 33.956 0.4 . 1 . . . A 57 GLN CG . 25149 1 662 . 1 1 57 57 GLN N N 15 121.276 0.4 . 1 . . . A 57 GLN N . 25149 1 663 . 1 1 57 57 GLN NE2 N 15 111.982 0.4 . 1 . . . A 57 GLN NE2 . 25149 1 664 . 1 1 58 58 HIS H H 1 8.366 0.02 . 1 . . . A 58 HIS H . 25149 1 665 . 1 1 58 58 HIS HA H 1 5.174 0.02 . 1 . . . A 58 HIS HA . 25149 1 666 . 1 1 58 58 HIS HB2 H 1 2.776 0.02 . 2 . . . A 58 HIS HB2 . 25149 1 667 . 1 1 58 58 HIS HB3 H 1 2.776 0.02 . 2 . . . A 58 HIS HB3 . 25149 1 668 . 1 1 58 58 HIS HD2 H 1 7.174 0.02 . 1 . . . A 58 HIS HD2 . 25149 1 669 . 1 1 58 58 HIS HE1 H 1 7.71 0.02 . 1 . . . A 58 HIS HE1 . 25149 1 670 . 1 1 58 58 HIS C C 13 173.636 0.4 . 1 . . . A 58 HIS C . 25149 1 671 . 1 1 58 58 HIS CA C 13 54.353 0.4 . 1 . . . A 58 HIS CA . 25149 1 672 . 1 1 58 58 HIS CB C 13 33.057 0.4 . 1 . . . A 58 HIS CB . 25149 1 673 . 1 1 58 58 HIS CD2 C 13 119.084 0.4 . 1 . . . A 58 HIS CD2 . 25149 1 674 . 1 1 58 58 HIS CE1 C 13 138.302 0.4 . 1 . . . A 58 HIS CE1 . 25149 1 675 . 1 1 58 58 HIS N N 15 120.001 0.4 . 1 . . . A 58 HIS N . 25149 1 676 . 1 1 59 59 CYS H H 1 9.035 0.02 . 1 . . . A 59 CYS H . 25149 1 677 . 1 1 59 59 CYS HA H 1 4.442 0.02 . 1 . . . A 59 CYS HA . 25149 1 678 . 1 1 59 59 CYS HB2 H 1 3.349 0.02 . 2 . . . A 59 CYS HB2 . 25149 1 679 . 1 1 59 59 CYS HB3 H 1 3.349 0.02 . 2 . . . A 59 CYS HB3 . 25149 1 680 . 1 1 59 59 CYS C C 13 176.334 0.4 . 1 . . . A 59 CYS C . 25149 1 681 . 1 1 59 59 CYS CA C 13 56.772 0.4 . 1 . . . A 59 CYS CA . 25149 1 682 . 1 1 59 59 CYS CB C 13 32.642 0.4 . 1 . . . A 59 CYS CB . 25149 1 683 . 1 1 59 59 CYS N N 15 121.924 0.4 . 1 . . . A 59 CYS N . 25149 1 684 . 1 1 60 60 PRO HA H 1 3.813 0.02 . 1 . . . A 60 PRO HA . 25149 1 685 . 1 1 60 60 PRO HB2 H 1 0.237 0.02 . 2 . . . A 60 PRO HB2 . 25149 1 686 . 1 1 60 60 PRO HB3 H 1 0.93 0.02 . 2 . . . A 60 PRO HB3 . 25149 1 687 . 1 1 60 60 PRO HG2 H 1 0.531 0.02 . 2 . . . A 60 PRO HG2 . 25149 1 688 . 1 1 60 60 PRO HG3 H 1 -0.366 0.02 . 2 . . . A 60 PRO HG3 . 25149 1 689 . 1 1 60 60 PRO HD2 H 1 3.332 0.02 . 2 . . . A 60 PRO HD2 . 25149 1 690 . 1 1 60 60 PRO HD3 H 1 2.539 0.02 . 2 . . . A 60 PRO HD3 . 25149 1 691 . 1 1 60 60 PRO CA C 13 64.661 0.4 . 1 . . . A 60 PRO CA . 25149 1 692 . 1 1 60 60 PRO CB C 13 30.659 0.4 . 1 . . . A 60 PRO CB . 25149 1 693 . 1 1 60 60 PRO CG C 13 25.793 0.4 . 1 . . . A 60 PRO CG . 25149 1 694 . 1 1 60 60 PRO CD C 13 50.062 0.4 . 1 . . . A 60 PRO CD . 25149 1 695 . 1 1 61 61 MET H H 1 9.135 0.02 . 1 . . . A 61 MET H . 25149 1 696 . 1 1 61 61 MET HA H 1 4.317 0.02 . 1 . . . A 61 MET HA . 25149 1 697 . 1 1 61 61 MET HB2 H 1 1.348 0.02 . 2 . . . A 61 MET HB2 . 25149 1 698 . 1 1 61 61 MET HB3 H 1 1.09 0.02 . 2 . . . A 61 MET HB3 . 25149 1 699 . 1 1 61 61 MET HG2 H 1 2.271 0.02 . 2 . . . A 61 MET HG2 . 25149 1 700 . 1 1 61 61 MET HG3 H 1 2.143 0.02 . 2 . . . A 61 MET HG3 . 25149 1 701 . 1 1 61 61 MET HE1 H 1 1.808 0.02 . 1 . . . A 61 MET HE1 . 25149 1 702 . 1 1 61 61 MET HE2 H 1 1.808 0.02 . 1 . . . A 61 MET HE2 . 25149 1 703 . 1 1 61 61 MET HE3 H 1 1.808 0.02 . 1 . . . A 61 MET HE3 . 25149 1 704 . 1 1 61 61 MET C C 13 177.117 0.4 . 1 . . . A 61 MET C . 25149 1 705 . 1 1 61 61 MET CA C 13 56.408 0.4 . 1 . . . A 61 MET CA . 25149 1 706 . 1 1 61 61 MET CB C 13 32.551 0.4 . 1 . . . A 61 MET CB . 25149 1 707 . 1 1 61 61 MET CG C 13 32.314 0.4 . 1 . . . A 61 MET CG . 25149 1 708 . 1 1 61 61 MET CE C 13 17.018 0.4 . 1 . . . A 61 MET CE . 25149 1 709 . 1 1 61 61 MET N N 15 117.676 0.4 . 1 . . . A 61 MET N . 25149 1 710 . 1 1 62 62 CYS H H 1 8.011 0.02 . 1 . . . A 62 CYS H . 25149 1 711 . 1 1 62 62 CYS HA H 1 4.874 0.02 . 1 . . . A 62 CYS HA . 25149 1 712 . 1 1 62 62 CYS HB2 H 1 3.368 0.02 . 2 . . . A 62 CYS HB2 . 25149 1 713 . 1 1 62 62 CYS HB3 H 1 2.777 0.02 . 2 . . . A 62 CYS HB3 . 25149 1 714 . 1 1 62 62 CYS C C 13 175.74 0.4 . 1 . . . A 62 CYS C . 25149 1 715 . 1 1 62 62 CYS CA C 13 58.273 0.4 . 1 . . . A 62 CYS CA . 25149 1 716 . 1 1 62 62 CYS CB C 13 32.776 0.4 . 1 . . . A 62 CYS CB . 25149 1 717 . 1 1 62 62 CYS N N 15 117.214 0.4 . 1 . . . A 62 CYS N . 25149 1 718 . 1 1 63 63 ARG H H 1 8.086 0.02 . 1 . . . A 63 ARG H . 25149 1 719 . 1 1 63 63 ARG HA H 1 3.925 0.02 . 1 . . . A 63 ARG HA . 25149 1 720 . 1 1 63 63 ARG HB2 H 1 1.943 0.02 . 2 . . . A 63 ARG HB2 . 25149 1 721 . 1 1 63 63 ARG HB3 H 1 1.801 0.02 . 2 . . . A 63 ARG HB3 . 25149 1 722 . 1 1 63 63 ARG HG2 H 1 1.296 0.02 . 2 . . . A 63 ARG HG2 . 25149 1 723 . 1 1 63 63 ARG HG3 H 1 1.296 0.02 . 2 . . . A 63 ARG HG3 . 25149 1 724 . 1 1 63 63 ARG HD2 H 1 2.957 0.02 . 2 . . . A 63 ARG HD2 . 25149 1 725 . 1 1 63 63 ARG HD3 H 1 2.957 0.02 . 2 . . . A 63 ARG HD3 . 25149 1 726 . 1 1 63 63 ARG C C 13 175.326 0.4 . 1 . . . A 63 ARG C . 25149 1 727 . 1 1 63 63 ARG CA C 13 58.073 0.4 . 1 . . . A 63 ARG CA . 25149 1 728 . 1 1 63 63 ARG CB C 13 27.136 0.4 . 1 . . . A 63 ARG CB . 25149 1 729 . 1 1 63 63 ARG CG C 13 27.897 0.4 . 1 . . . A 63 ARG CG . 25149 1 730 . 1 1 63 63 ARG CD C 13 43.035 0.4 . 1 . . . A 63 ARG CD . 25149 1 731 . 1 1 63 63 ARG N N 15 116.555 0.4 . 1 . . . A 63 ARG N . 25149 1 732 . 1 1 64 64 GLN H H 1 8.003 0.02 . 1 . . . A 64 GLN H . 25149 1 733 . 1 1 64 64 GLN HA H 1 4.259 0.02 . 1 . . . A 64 GLN HA . 25149 1 734 . 1 1 64 64 GLN HB2 H 1 2.056 0.02 . 2 . . . A 64 GLN HB2 . 25149 1 735 . 1 1 64 64 GLN HB3 H 1 1.953 0.02 . 2 . . . A 64 GLN HB3 . 25149 1 736 . 1 1 64 64 GLN HG2 H 1 2.533 0.02 . 2 . . . A 64 GLN HG2 . 25149 1 737 . 1 1 64 64 GLN HG3 H 1 2.341 0.02 . 2 . . . A 64 GLN HG3 . 25149 1 738 . 1 1 64 64 GLN HE21 H 1 7.611 0.02 . 2 . . . A 64 GLN HE21 . 25149 1 739 . 1 1 64 64 GLN HE22 H 1 6.839 0.02 . 2 . . . A 64 GLN HE21 . 25149 1 740 . 1 1 64 64 GLN C C 13 176.054 0.4 . 1 . . . A 64 GLN C . 25149 1 741 . 1 1 64 64 GLN CA C 13 56.316 0.4 . 1 . . . A 64 GLN CA . 25149 1 742 . 1 1 64 64 GLN CB C 13 30.083 0.4 . 1 . . . A 64 GLN CB . 25149 1 743 . 1 1 64 64 GLN CG C 13 35.392 0.4 . 1 . . . A 64 GLN CG . 25149 1 744 . 1 1 64 64 GLN N N 15 118.932 0.4 . 1 . . . A 64 GLN N . 25149 1 745 . 1 1 64 64 GLN NE2 N 15 112.76 0.4 . 1 . . . A 64 GLN NE2 . 25149 1 746 . 1 1 65 65 GLU H H 1 8.657 0.02 . 1 . . . A 65 GLU H . 25149 1 747 . 1 1 65 65 GLU HA H 1 4.003 0.02 . 1 . . . A 65 GLU HA . 25149 1 748 . 1 1 65 65 GLU HB2 H 1 1.881 0.02 . 2 . . . A 65 GLU HB2 . 25149 1 749 . 1 1 65 65 GLU HB3 H 1 1.81 0.02 . 2 . . . A 65 GLU HB3 . 25149 1 750 . 1 1 65 65 GLU HG2 H 1 2.263 0.02 . 2 . . . A 65 GLU HG2 . 25149 1 751 . 1 1 65 65 GLU HG3 H 1 2.263 0.02 . 2 . . . A 65 GLU HG3 . 25149 1 752 . 1 1 65 65 GLU C C 13 176.781 0.4 . 1 . . . A 65 GLU C . 25149 1 753 . 1 1 65 65 GLU CA C 13 57.682 0.4 . 1 . . . A 65 GLU CA . 25149 1 754 . 1 1 65 65 GLU CB C 13 29.9 0.4 . 1 . . . A 65 GLU CB . 25149 1 755 . 1 1 65 65 GLU CG C 13 36.401 0.4 . 1 . . . A 65 GLU CG . 25149 1 756 . 1 1 65 65 GLU N N 15 122.038 0.4 . 1 . . . A 65 GLU N . 25149 1 757 . 1 1 66 66 TRP H H 1 8.499 0.02 . 1 . . . A 66 TRP H . 25149 1 758 . 1 1 66 66 TRP HA H 1 4.404 0.02 . 1 . . . A 66 TRP HA . 25149 1 759 . 1 1 66 66 TRP HB2 H 1 2.681 0.02 . 2 . . . A 66 TRP HB2 . 25149 1 760 . 1 1 66 66 TRP HB3 H 1 2.548 0.02 . 2 . . . A 66 TRP HB3 . 25149 1 761 . 1 1 66 66 TRP HD1 H 1 6.441 0.02 . 1 . . . A 66 TRP HD1 . 25149 1 762 . 1 1 66 66 TRP HE1 H 1 5.827 0.02 . 1 . . . A 66 TRP HE1 . 25149 1 763 . 1 1 66 66 TRP HE3 H 1 7.206 0.02 . 1 . . . A 66 TRP HE3 . 25149 1 764 . 1 1 66 66 TRP HZ2 H 1 6.695 0.02 . 1 . . . A 66 TRP HZ2 . 25149 1 765 . 1 1 66 66 TRP HZ3 H 1 6.95 0.02 . 1 . . . A 66 TRP HZ3 . 25149 1 766 . 1 1 66 66 TRP HH2 H 1 7.08 0.02 . 1 . . . A 66 TRP HH2 . 25149 1 767 . 1 1 66 66 TRP C C 13 175.46 0.4 . 1 . . . A 66 TRP C . 25149 1 768 . 1 1 66 66 TRP CA C 13 57.625 0.4 . 1 . . . A 66 TRP CA . 25149 1 769 . 1 1 66 66 TRP CB C 13 29.358 0.4 . 1 . . . A 66 TRP CB . 25149 1 770 . 1 1 66 66 TRP CD1 C 13 126.493 0.4 . 1 . . . A 66 TRP CD1 . 25149 1 771 . 1 1 66 66 TRP CE3 C 13 119.966 0.4 . 1 . . . A 66 TRP CE3 . 25149 1 772 . 1 1 66 66 TRP CZ2 C 13 112.825 0.4 . 1 . . . A 66 TRP CZ2 . 25149 1 773 . 1 1 66 66 TRP CZ3 C 13 119.921 0.4 . 1 . . . A 66 TRP CZ3 . 25149 1 774 . 1 1 66 66 TRP CH2 C 13 124.707 0.4 . 1 . . . A 66 TRP CH2 . 25149 1 775 . 1 1 66 66 TRP N N 15 125.73 0.4 . 1 . . . A 66 TRP N . 25149 1 776 . 1 1 66 66 TRP NE1 N 15 122.571 0.4 . 1 . . . A 66 TRP NE1 . 25149 1 777 . 1 1 67 67 LYS H H 1 6.93 0.02 . 1 . . . A 67 LYS H . 25149 1 778 . 1 1 67 67 LYS HA H 1 4.018 0.02 . 1 . . . A 67 LYS HA . 25149 1 779 . 1 1 67 67 LYS HB2 H 1 1.402 0.02 . 2 . . . A 67 LYS HB2 . 25149 1 780 . 1 1 67 67 LYS HB3 H 1 1.104 0.02 . 2 . . . A 67 LYS HB3 . 25149 1 781 . 1 1 67 67 LYS HG2 H 1 1.128 0.02 . 2 . . . A 67 LYS HG2 . 25149 1 782 . 1 1 67 67 LYS HG3 H 1 1.128 0.02 . 2 . . . A 67 LYS HG3 . 25149 1 783 . 1 1 67 67 LYS HD2 H 1 1.445 0.02 . 2 . . . A 67 LYS HD2 . 25149 1 784 . 1 1 67 67 LYS HD3 H 1 1.445 0.02 . 2 . . . A 67 LYS HD3 . 25149 1 785 . 1 1 67 67 LYS HE2 H 1 2.76 0.02 . 2 . . . A 67 LYS HE2 . 25149 1 786 . 1 1 67 67 LYS HE3 H 1 2.76 0.02 . 2 . . . A 67 LYS HE3 . 25149 1 787 . 1 1 67 67 LYS C C 13 175.18 0.4 . 1 . . . A 67 LYS C . 25149 1 788 . 1 1 67 67 LYS CA C 13 54.514 0.4 . 1 . . . A 67 LYS CA . 25149 1 789 . 1 1 67 67 LYS CB C 13 36.231 0.4 . 1 . . . A 67 LYS CB . 25149 1 790 . 1 1 67 67 LYS CG C 13 25.134 0.4 . 1 . . . A 67 LYS CG . 25149 1 791 . 1 1 67 67 LYS CD C 13 29.302 0.4 . 1 . . . A 67 LYS CD . 25149 1 792 . 1 1 67 67 LYS CE C 13 42.499 0.4 . 1 . . . A 67 LYS CE . 25149 1 793 . 1 1 67 67 LYS N N 15 127.396 0.4 . 1 . . . A 67 LYS N . 25149 1 794 . 1 1 68 68 PHE H H 1 8.43 0.02 . 1 . . . A 68 PHE H . 25149 1 795 . 1 1 68 68 PHE HA H 1 4.108 0.02 . 1 . . . A 68 PHE HA . 25149 1 796 . 1 1 68 68 PHE HB2 H 1 3.184 0.02 . 2 . . . A 68 PHE HB2 . 25149 1 797 . 1 1 68 68 PHE HB3 H 1 2.798 0.02 . 2 . . . A 68 PHE HB3 . 25149 1 798 . 1 1 68 68 PHE HD1 H 1 7.618 0.02 . 1 . . . A 68 PHE HD1 . 25149 1 799 . 1 1 68 68 PHE HD2 H 1 7.618 0.02 . 1 . . . A 68 PHE HD2 . 25149 1 800 . 1 1 68 68 PHE HE1 H 1 7.489 0.02 . 1 . . . A 68 PHE HE1 . 25149 1 801 . 1 1 68 68 PHE HE2 H 1 7.489 0.02 . 1 . . . A 68 PHE HE2 . 25149 1 802 . 1 1 68 68 PHE HZ H 1 7.148 0.02 . 1 . . . A 68 PHE HZ . 25149 1 803 . 1 1 68 68 PHE C C 13 176.613 0.4 . 1 . . . A 68 PHE C . 25149 1 804 . 1 1 68 68 PHE CA C 13 59.961 0.4 . 1 . . . A 68 PHE CA . 25149 1 805 . 1 1 68 68 PHE CB C 13 39.262 0.4 . 1 . . . A 68 PHE CB . 25149 1 806 . 1 1 68 68 PHE CD1 C 13 133.212 0.4 . 1 . . . A 68 PHE CD1 . 25149 1 807 . 1 1 68 68 PHE CE1 C 13 131.54 0.4 . 1 . . . A 68 PHE CE1 . 25149 1 808 . 1 1 68 68 PHE CZ C 13 130.044 0.4 . 1 . . . A 68 PHE CZ . 25149 1 809 . 1 1 68 68 PHE N N 15 121.511 0.4 . 1 . . . A 68 PHE N . 25149 1 810 . 1 1 69 69 LYS H H 1 8.738 0.02 . 1 . . . A 69 LYS H . 25149 1 811 . 1 1 69 69 LYS HA H 1 3.995 0.02 . 1 . . . A 69 LYS HA . 25149 1 812 . 1 1 69 69 LYS HB2 H 1 1.645 0.02 . 2 . . . A 69 LYS HB2 . 25149 1 813 . 1 1 69 69 LYS HB3 H 1 1.239 0.02 . 2 . . . A 69 LYS HB3 . 25149 1 814 . 1 1 69 69 LYS HG2 H 1 1.287 0.02 . 2 . . . A 69 LYS HG2 . 25149 1 815 . 1 1 69 69 LYS HG3 H 1 1.224 0.02 . 2 . . . A 69 LYS HG3 . 25149 1 816 . 1 1 69 69 LYS HD2 H 1 1.438 0.02 . 2 . . . A 69 LYS HD2 . 25149 1 817 . 1 1 69 69 LYS HD3 H 1 1.438 0.02 . 2 . . . A 69 LYS HD3 . 25149 1 818 . 1 1 69 69 LYS HE2 H 1 2.688 0.02 . 2 . . . A 69 LYS HE2 . 25149 1 819 . 1 1 69 69 LYS HE3 H 1 2.688 0.02 . 2 . . . A 69 LYS HE3 . 25149 1 820 . 1 1 69 69 LYS C C 13 175.651 0.4 . 1 . . . A 69 LYS C . 25149 1 821 . 1 1 69 69 LYS CA C 13 57.32 0.4 . 1 . . . A 69 LYS CA . 25149 1 822 . 1 1 69 69 LYS CB C 13 33.361 0.4 . 1 . . . A 69 LYS CB . 25149 1 823 . 1 1 69 69 LYS CG C 13 25.113 0.4 . 1 . . . A 69 LYS CG . 25149 1 824 . 1 1 69 69 LYS CD C 13 29.314 0.4 . 1 . . . A 69 LYS CD . 25149 1 825 . 1 1 69 69 LYS CE C 13 41.978 0.4 . 1 . . . A 69 LYS CE . 25149 1 826 . 1 1 69 69 LYS N N 15 124.21 0.4 . 1 . . . A 69 LYS N . 25149 1 827 . 1 1 70 70 GLU H H 1 8.124 0.02 . 1 . . . A 70 GLU H . 25149 1 828 . 1 1 70 70 GLU HA H 1 4.031 0.02 . 1 . . . A 70 GLU HA . 25149 1 829 . 1 1 70 70 GLU HB2 H 1 1.916 0.02 . 2 . . . A 70 GLU HB2 . 25149 1 830 . 1 1 70 70 GLU HB3 H 1 1.737 0.02 . 2 . . . A 70 GLU HB3 . 25149 1 831 . 1 1 70 70 GLU HG2 H 1 2.067 0.02 . 2 . . . A 70 GLU HG2 . 25149 1 832 . 1 1 70 70 GLU HG3 H 1 2.067 0.02 . 2 . . . A 70 GLU HG3 . 25149 1 833 . 1 1 70 70 GLU C C 13 181.125 0.4 . 1 . . . A 70 GLU C . 25149 1 834 . 1 1 70 70 GLU CA C 13 58.093 0.4 . 1 . . . A 70 GLU CA . 25149 1 835 . 1 1 70 70 GLU CB C 13 31.183 0.4 . 1 . . . A 70 GLU CB . 25149 1 836 . 1 1 70 70 GLU CG C 13 36.828 0.4 . 1 . . . A 70 GLU CG . 25149 1 837 . 1 1 70 70 GLU N N 15 130.135 0.4 . 1 . . . A 70 GLU N . 25149 1 stop_ save_