data_19288 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19288 _Entry.Title ; Solution NMR Structure of E3 ubiquitin-protein ligase ZFP91 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7784A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-05 _Entry.Accession_date 2013-06-05 _Entry.Last_release_date 2013-07-22 _Entry.Original_release_date 2013-07-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; The NESG target Hr7784A contains three C2H2 zinc finger motifs between residues 370 and 456 of the Homo sapiens E3 ubiquitin-protein ligase ZFP91. Correlation time measurements using cross-correlation based NMR spin relaxation experiments suggest that the three zinc finger motifs are connected by flexible loops and not restricted with respect to one another. Residual dipolar couplings also indicate that the three domains are oriented independently. Therefore the positions of domains with respect to one another in the structures reported are not significant. ; _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 Kari Pederson . . . 19288 2 Ritu Shastry . . . 19288 3 Eitan Kohan . . . 19288 4 Haleema Janjua . . . 19288 5 Rong Xiao . . . 19288 6 Thomas Acton . B. . 19288 7 John Everett . K. . 19288 8 Gaetano Montelione . T. . 19288 9 James Prestegard . H. . 19288 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 PSI:Biology 'Northeast Structural Genomics Consortium' . 19288 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Northeast Structural Genomics Consortium' . 19288 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID C2H2 . 19288 Hr7784A . 19288 PSI:Biology . 19288 Zinc . 19288 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19288 RDCs 2 19288 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 19288 '15N chemical shifts' 90 19288 '1H chemical shifts' 591 19288 'residual dipolar couplings' 157 19288 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 . . 2013-07-22 2013-06-05 original author . 19288 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M9A 'BMRB Entry Tracking System' 19288 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19288 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of Hr7784A' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 . _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 Kari Pederson . . . 19288 1 2 Gaetano Montelione . T. . 19288 1 3 James Prestegard . H. . 19288 1 4 Ritu Shastry . . . 19288 1 5 Eitan Kohan . . . 19288 1 6 Haleema Janjua . . . 19288 1 7 Rong Xiao . . . 19288 1 8 Thomas Acton . B. . 19288 1 9 John Everett . K. . 19288 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19288 _Assembly.ID 1 _Assembly.Name HR7784A _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 HR7784A 1 $HR7784A A . yes native no no . . . 19288 1 2 Zn_1 2 $entity_ZN B . no nonpolymer no no . . . 19288 1 3 Zn_2 2 $entity_ZN C . no nonpolymer no no . . . 19288 1 4 Zn_3 2 $entity_ZN D . no nonpolymer no no . . . 19288 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2m9a . . 'solution NMR' . . . 19288 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR7784A _Entity.Sf_category entity _Entity.Sf_framecode HR7784A _Entity.Entry_ID 19288 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR7784A _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 ; MGHHHHHHSHMRDYICEYCA RAFKSSHNLAVHRMIHTGEK PLQCEICGFTCRQKASLNWH MKKHDADSFYQFSCNICGKK FEKKDSVVAHKAKSHPEV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'MGHHHHHHS are at N-terminal as part of His-Tag. It is not include in the coordinate file.' _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10396.114 _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 2M9A . "Solution Nmr Structure Of E3 Ubiquitin-protein Ligase Zfp91 From Homo Sapiens, Northeast Structural Genomics Consortium (nesg) " . . . . . 100.00 98 100.00 100.00 5.94e-65 . . . . 19288 1 2 no DBJ BAC26394 . "unnamed protein product [Mus musculus]" . . . . . 66.33 179 100.00 100.00 6.55e-41 . . . . 19288 1 3 no DBJ BAC40660 . "unnamed protein product [Mus musculus]" . . . . . 66.33 179 100.00 100.00 7.22e-41 . . . . 19288 1 4 no DBJ BAG58548 . "unnamed protein product [Homo sapiens]" . . . . . 66.33 179 100.00 100.00 6.55e-41 . . . . 19288 1 5 no GB KFQ07199 . "E3 ubiquitin-protein ligase ZFP91, partial [Haliaeetus albicilla]" . . . . . 88.78 356 100.00 100.00 2.87e-56 . . . . 19288 1 6 no REF XP_008587874 . "PREDICTED: E3 ubiquitin-protein ligase ZFP91-like [Galeopterus variegatus]" . . . . . 57.14 240 98.21 100.00 7.24e-32 . . . . 19288 1 7 no REF XP_010166167 . "PREDICTED: E3 ubiquitin-protein ligase ZFP91 [Caprimulgus carolinensis]" . . . . . 66.33 180 100.00 100.00 9.93e-41 . . . . 19288 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 MET . 19288 1 2 2 GLY . 19288 1 3 3 HIS . 19288 1 4 4 HIS . 19288 1 5 5 HIS . 19288 1 6 6 HIS . 19288 1 7 7 HIS . 19288 1 8 8 HIS . 19288 1 9 9 SER . 19288 1 10 10 HIS . 19288 1 11 11 MET . 19288 1 12 12 ARG . 19288 1 13 13 ASP . 19288 1 14 14 TYR . 19288 1 15 15 ILE . 19288 1 16 16 CYS . 19288 1 17 17 GLU . 19288 1 18 18 TYR . 19288 1 19 19 CYS . 19288 1 20 20 ALA . 19288 1 21 21 ARG . 19288 1 22 22 ALA . 19288 1 23 23 PHE . 19288 1 24 24 LYS . 19288 1 25 25 SER . 19288 1 26 26 SER . 19288 1 27 27 HIS . 19288 1 28 28 ASN . 19288 1 29 29 LEU . 19288 1 30 30 ALA . 19288 1 31 31 VAL . 19288 1 32 32 HIS . 19288 1 33 33 ARG . 19288 1 34 34 MET . 19288 1 35 35 ILE . 19288 1 36 36 HIS . 19288 1 37 37 THR . 19288 1 38 38 GLY . 19288 1 39 39 GLU . 19288 1 40 40 LYS . 19288 1 41 41 PRO . 19288 1 42 42 LEU . 19288 1 43 43 GLN . 19288 1 44 44 CYS . 19288 1 45 45 GLU . 19288 1 46 46 ILE . 19288 1 47 47 CYS . 19288 1 48 48 GLY . 19288 1 49 49 PHE . 19288 1 50 50 THR . 19288 1 51 51 CYS . 19288 1 52 52 ARG . 19288 1 53 53 GLN . 19288 1 54 54 LYS . 19288 1 55 55 ALA . 19288 1 56 56 SER . 19288 1 57 57 LEU . 19288 1 58 58 ASN . 19288 1 59 59 TRP . 19288 1 60 60 HIS . 19288 1 61 61 MET . 19288 1 62 62 LYS . 19288 1 63 63 LYS . 19288 1 64 64 HIS . 19288 1 65 65 ASP . 19288 1 66 66 ALA . 19288 1 67 67 ASP . 19288 1 68 68 SER . 19288 1 69 69 PHE . 19288 1 70 70 TYR . 19288 1 71 71 GLN . 19288 1 72 72 PHE . 19288 1 73 73 SER . 19288 1 74 74 CYS . 19288 1 75 75 ASN . 19288 1 76 76 ILE . 19288 1 77 77 CYS . 19288 1 78 78 GLY . 19288 1 79 79 LYS . 19288 1 80 80 LYS . 19288 1 81 81 PHE . 19288 1 82 82 GLU . 19288 1 83 83 LYS . 19288 1 84 84 LYS . 19288 1 85 85 ASP . 19288 1 86 86 SER . 19288 1 87 87 VAL . 19288 1 88 88 VAL . 19288 1 89 89 ALA . 19288 1 90 90 HIS . 19288 1 91 91 LYS . 19288 1 92 92 ALA . 19288 1 93 93 LYS . 19288 1 94 94 SER . 19288 1 95 95 HIS . 19288 1 96 96 PRO . 19288 1 97 97 GLU . 19288 1 98 98 VAL . 19288 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 . MET 1 1 19288 1 . GLY 2 2 19288 1 . HIS 3 3 19288 1 . HIS 4 4 19288 1 . HIS 5 5 19288 1 . HIS 6 6 19288 1 . HIS 7 7 19288 1 . HIS 8 8 19288 1 . SER 9 9 19288 1 . HIS 10 10 19288 1 . MET 11 11 19288 1 . ARG 12 12 19288 1 . ASP 13 13 19288 1 . TYR 14 14 19288 1 . ILE 15 15 19288 1 . CYS 16 16 19288 1 . GLU 17 17 19288 1 . TYR 18 18 19288 1 . CYS 19 19 19288 1 . ALA 20 20 19288 1 . ARG 21 21 19288 1 . ALA 22 22 19288 1 . PHE 23 23 19288 1 . LYS 24 24 19288 1 . SER 25 25 19288 1 . SER 26 26 19288 1 . HIS 27 27 19288 1 . ASN 28 28 19288 1 . LEU 29 29 19288 1 . ALA 30 30 19288 1 . VAL 31 31 19288 1 . HIS 32 32 19288 1 . ARG 33 33 19288 1 . MET 34 34 19288 1 . ILE 35 35 19288 1 . HIS 36 36 19288 1 . THR 37 37 19288 1 . GLY 38 38 19288 1 . GLU 39 39 19288 1 . LYS 40 40 19288 1 . PRO 41 41 19288 1 . LEU 42 42 19288 1 . GLN 43 43 19288 1 . CYS 44 44 19288 1 . GLU 45 45 19288 1 . ILE 46 46 19288 1 . CYS 47 47 19288 1 . GLY 48 48 19288 1 . PHE 49 49 19288 1 . THR 50 50 19288 1 . CYS 51 51 19288 1 . ARG 52 52 19288 1 . GLN 53 53 19288 1 . LYS 54 54 19288 1 . ALA 55 55 19288 1 . SER 56 56 19288 1 . LEU 57 57 19288 1 . ASN 58 58 19288 1 . TRP 59 59 19288 1 . HIS 60 60 19288 1 . MET 61 61 19288 1 . LYS 62 62 19288 1 . LYS 63 63 19288 1 . HIS 64 64 19288 1 . ASP 65 65 19288 1 . ALA 66 66 19288 1 . ASP 67 67 19288 1 . SER 68 68 19288 1 . PHE 69 69 19288 1 . TYR 70 70 19288 1 . GLN 71 71 19288 1 . PHE 72 72 19288 1 . SER 73 73 19288 1 . CYS 74 74 19288 1 . ASN 75 75 19288 1 . ILE 76 76 19288 1 . CYS 77 77 19288 1 . GLY 78 78 19288 1 . LYS 79 79 19288 1 . LYS 80 80 19288 1 . PHE 81 81 19288 1 . GLU 82 82 19288 1 . LYS 83 83 19288 1 . LYS 84 84 19288 1 . ASP 85 85 19288 1 . SER 86 86 19288 1 . VAL 87 87 19288 1 . VAL 88 88 19288 1 . ALA 89 89 19288 1 . HIS 90 90 19288 1 . LYS 91 91 19288 1 . ALA 92 92 19288 1 . LYS 93 93 19288 1 . SER 94 94 19288 1 . HIS 95 95 19288 1 . PRO 96 96 19288 1 . GLU 97 97 19288 1 . VAL 98 98 19288 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19288 _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 . _Entity.Nonpolymer_comp_label . _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 19288 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 19288 2 ZN 'Three letter code' 19288 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 19288 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19288 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 19288 _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 $HR7784A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'ZFP91, ZNF757, FKSG11' . . . . 19288 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 19288 _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 $HR7784A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15_NESG . . . . . . 19288 1 2 2 $entity_ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19288 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 19288 _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 19288 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19288 ZN [Zn++] SMILES CACTVS 3.341 19288 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19288 ZN [Zn+2] SMILES ACDLabs 10.04 19288 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19288 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19288 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 19288 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19288 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 . 19288 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 19288 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 HR7784A '[U-100% 13C; U-100% 15N]' . . 1 $HR7784A . . 1.17 . . mM . . . . 19288 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19288 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19288 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19288 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19288 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19288 1 7 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19288 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19288 1 9 D20 'natural abundance' . . . . . . 5 . . % . . . . 19288 1 stop_ save_ save_C12E5 _Sample.Sf_category sample _Sample.Sf_framecode C12E5 _Sample.Entry_ID 19288 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'C12E5 solution for RDC' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 HR7784A '[U-100% 15N]' . . 1 $HR7784A . . 0.66 . . mM . . . . 19288 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19288 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19288 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19288 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19288 2 6 C12E5 'natural abundance' . . . . . . 4.2 . . % . . . . 19288 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19288 2 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19288 2 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19288 2 10 D20 'natural abundance' . . . . . . 5 . . % . . . . 19288 2 stop_ save_ save_Polyacrylamide_Gel _Sample.Sf_category sample _Sample.Sf_framecode Polyacrylamide_Gel _Sample.Entry_ID 19288 _Sample.ID 3 _Sample.Type 'gel solid' _Sample.Sub_type . _Sample.Details 'Positively charged polyacrylamide gel for RDC' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 HR7784A '[U-100% 13C; U-100% 15N]' . . 1 $HR7784A . . 0.66 . . mM . . . . 19288 3 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19288 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19288 3 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19288 3 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19288 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19288 3 7 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19288 3 8 'positively charged polyacrylamide gel' 'natural abundance' . . . . . . 5 . . % . . . . 19288 3 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19288 3 10 D20 'natural abundance' . . . . . . 5 . . % . . . . 19288 3 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 19288 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 19288 1 pH 6.5 . pH 19288 1 pressure 1 . atm 19288 1 temperature 298 . K 19288 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19288 _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' . . 19288 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19288 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19288 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19288 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19288 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19288 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19288 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19288 3 'peak picking' 19288 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19288 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.28 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19288 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19288 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 19288 _Software.ID 5 _Software.Name PSVS _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 19288 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19288 5 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 19288 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19288 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 19288 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 19288 _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 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 4 '3D HNCACB' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 5 '3D HNCO' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 11 '2D CB(CGCD)HD' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 12 '2D CB(CGCDCE)HE' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 13 '2D 1H-15N J-modulation HSQC' no . . . . . . . . . . 2 $C12E5 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 14 '2D 1H-15N J-modulation HSQC' no . . . . . . . . . . 3 $Polyacrylamide_Gel anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1 15 '2D 1H-15N J-modulation HSQC' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 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 19288 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19288 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19288 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19288 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 19288 _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' . . . 19288 1 2 '2D 1H-13C HSQC aromatic' . . . 19288 1 3 '3D CBCA(CO)NH' . . . 19288 1 4 '3D HNCACB' . . . 19288 1 5 '3D HNCO' . . . 19288 1 6 '3D H(CCO)NH' . . . 19288 1 7 '3D HCCH-TOCSY' . . . 19288 1 11 '2D CB(CGCD)HD' . . . 19288 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 10 10 HIS HA H 1 4.620 0.003 . 1 . . . A 10 HIS HA . 19288 1 2 . 1 1 10 10 HIS HB2 H 1 3.119 0.027 . 2 . . . A 10 HIS HB2 . 19288 1 3 . 1 1 10 10 HIS HB3 H 1 3.119 0.027 . 2 . . . A 10 HIS HB3 . 19288 1 4 . 1 1 10 10 HIS HD2 H 1 7.028 0.001 . 1 . . . A 10 HIS HD2 . 19288 1 5 . 1 1 10 10 HIS CA C 13 56.302 0.124 . 1 . . . A 10 HIS CA . 19288 1 6 . 1 1 10 10 HIS CB C 13 30.312 0.069 . 1 . . . A 10 HIS CB . 19288 1 7 . 1 1 10 10 HIS CD2 C 13 119.362 0.000 . 1 . . . A 10 HIS CD2 . 19288 1 8 . 1 1 11 11 MET H H 1 8.178 0.003 . 1 . . . A 11 MET H . 19288 1 9 . 1 1 11 11 MET HA H 1 4.387 0.003 . 1 . . . A 11 MET HA . 19288 1 10 . 1 1 11 11 MET HB2 H 1 1.989 0.004 . 2 . . . A 11 MET HB2 . 19288 1 11 . 1 1 11 11 MET HB3 H 1 1.989 0.004 . 2 . . . A 11 MET HB3 . 19288 1 12 . 1 1 11 11 MET HG2 H 1 2.426 0.005 . 2 . . . A 11 MET HG2 . 19288 1 13 . 1 1 11 11 MET HG3 H 1 2.426 0.005 . 2 . . . A 11 MET HG3 . 19288 1 14 . 1 1 11 11 MET CA C 13 55.835 0.050 . 1 . . . A 11 MET CA . 19288 1 15 . 1 1 11 11 MET CB C 13 32.794 0.086 . 1 . . . A 11 MET CB . 19288 1 16 . 1 1 11 11 MET CG C 13 32.111 0.012 . 1 . . . A 11 MET CG . 19288 1 17 . 1 1 11 11 MET N N 15 121.464 0.021 . 1 . . . A 11 MET N . 19288 1 18 . 1 1 12 12 ARG H H 1 8.209 0.015 . 1 . . . A 12 ARG H . 19288 1 19 . 1 1 12 12 ARG HA H 1 4.244 0.005 . 1 . . . A 12 ARG HA . 19288 1 20 . 1 1 12 12 ARG HB2 H 1 1.664 0.011 . 2 . . . A 12 ARG HB2 . 19288 1 21 . 1 1 12 12 ARG HB3 H 1 1.664 0.011 . 2 . . . A 12 ARG HB3 . 19288 1 22 . 1 1 12 12 ARG HG2 H 1 1.402 0.009 . 2 . . . A 12 ARG HG2 . 19288 1 23 . 1 1 12 12 ARG HG3 H 1 1.402 0.009 . 2 . . . A 12 ARG HG3 . 19288 1 24 . 1 1 12 12 ARG HD2 H 1 3.052 0.007 . 2 . . . A 12 ARG HD2 . 19288 1 25 . 1 1 12 12 ARG HD3 H 1 3.052 0.007 . 2 . . . A 12 ARG HD3 . 19288 1 26 . 1 1 12 12 ARG CA C 13 55.802 0.135 . 1 . . . A 12 ARG CA . 19288 1 27 . 1 1 12 12 ARG CB C 13 31.110 0.070 . 1 . . . A 12 ARG CB . 19288 1 28 . 1 1 12 12 ARG CG C 13 26.771 0.066 . 1 . . . A 12 ARG CG . 19288 1 29 . 1 1 12 12 ARG CD C 13 43.471 0.030 . 1 . . . A 12 ARG CD . 19288 1 30 . 1 1 12 12 ARG N N 15 121.614 0.061 . 1 . . . A 12 ARG N . 19288 1 31 . 1 1 13 13 ASP H H 1 7.858 0.004 . 1 . . . A 13 ASP H . 19288 1 32 . 1 1 13 13 ASP HA H 1 4.667 0.008 . 1 . . . A 13 ASP HA . 19288 1 33 . 1 1 13 13 ASP HB2 H 1 2.350 0.009 . 2 . . . A 13 ASP HB2 . 19288 1 34 . 1 1 13 13 ASP HB3 H 1 2.350 0.009 . 2 . . . A 13 ASP HB3 . 19288 1 35 . 1 1 13 13 ASP C C 13 175.723 0.000 . 1 . . . A 13 ASP C . 19288 1 36 . 1 1 13 13 ASP CA C 13 54.112 0.104 . 1 . . . A 13 ASP CA . 19288 1 37 . 1 1 13 13 ASP CB C 13 42.459 0.086 . 1 . . . A 13 ASP CB . 19288 1 38 . 1 1 13 13 ASP N N 15 119.634 0.093 . 1 . . . A 13 ASP N . 19288 1 39 . 1 1 14 14 TYR H H 1 8.676 0.007 . 1 . . . A 14 TYR H . 19288 1 40 . 1 1 14 14 TYR HA H 1 4.534 0.007 . 1 . . . A 14 TYR HA . 19288 1 41 . 1 1 14 14 TYR HB2 H 1 2.820 0.011 . 2 . . . A 14 TYR HB2 . 19288 1 42 . 1 1 14 14 TYR HB3 H 1 2.820 0.011 . 2 . . . A 14 TYR HB3 . 19288 1 43 . 1 1 14 14 TYR HD1 H 1 6.964 0.021 . 1 . . . A 14 TYR HD1 . 19288 1 44 . 1 1 14 14 TYR HD2 H 1 6.964 0.021 . 1 . . . A 14 TYR HD2 . 19288 1 45 . 1 1 14 14 TYR HE1 H 1 6.777 0.002 . 1 . . . A 14 TYR HE1 . 19288 1 46 . 1 1 14 14 TYR HE2 H 1 6.777 0.002 . 1 . . . A 14 TYR HE2 . 19288 1 47 . 1 1 14 14 TYR C C 13 174.767 0.000 . 1 . . . A 14 TYR C . 19288 1 48 . 1 1 14 14 TYR CA C 13 57.521 0.087 . 1 . . . A 14 TYR CA . 19288 1 49 . 1 1 14 14 TYR CB C 13 38.608 0.133 . 1 . . . A 14 TYR CB . 19288 1 50 . 1 1 14 14 TYR CD1 C 13 132.664 0.051 . 1 . . . A 14 TYR CD1 . 19288 1 51 . 1 1 14 14 TYR CE1 C 13 117.685 0.012 . 1 . . . A 14 TYR CE1 . 19288 1 52 . 1 1 14 14 TYR N N 15 120.932 0.048 . 1 . . . A 14 TYR N . 19288 1 53 . 1 1 15 15 ILE H H 1 8.479 0.006 . 1 . . . A 15 ILE H . 19288 1 54 . 1 1 15 15 ILE HA H 1 4.714 0.009 . 1 . . . A 15 ILE HA . 19288 1 55 . 1 1 15 15 ILE HB H 1 1.669 0.009 . 1 . . . A 15 ILE HB . 19288 1 56 . 1 1 15 15 ILE HG12 H 1 1.327 0.008 . 2 . . . A 15 ILE HG12 . 19288 1 57 . 1 1 15 15 ILE HG13 H 1 1.000 0.007 . 2 . . . A 15 ILE HG13 . 19288 1 58 . 1 1 15 15 ILE HG21 H 1 0.678 0.007 . 1 . . . A 15 ILE HG21 . 19288 1 59 . 1 1 15 15 ILE HG22 H 1 0.678 0.007 . 1 . . . A 15 ILE HG22 . 19288 1 60 . 1 1 15 15 ILE HG23 H 1 0.678 0.007 . 1 . . . A 15 ILE HG23 . 19288 1 61 . 1 1 15 15 ILE HD11 H 1 0.718 0.007 . 1 . . . A 15 ILE HD11 . 19288 1 62 . 1 1 15 15 ILE HD12 H 1 0.718 0.007 . 1 . . . A 15 ILE HD12 . 19288 1 63 . 1 1 15 15 ILE HD13 H 1 0.718 0.007 . 1 . . . A 15 ILE HD13 . 19288 1 64 . 1 1 15 15 ILE C C 13 175.178 0.000 . 1 . . . A 15 ILE C . 19288 1 65 . 1 1 15 15 ILE CA C 13 59.647 0.083 . 1 . . . A 15 ILE CA . 19288 1 66 . 1 1 15 15 ILE CB C 13 39.969 0.064 . 1 . . . A 15 ILE CB . 19288 1 67 . 1 1 15 15 ILE CG1 C 13 27.812 0.032 . 1 . . . A 15 ILE CG1 . 19288 1 68 . 1 1 15 15 ILE CG2 C 13 17.255 0.059 . 1 . . . A 15 ILE CG2 . 19288 1 69 . 1 1 15 15 ILE CD1 C 13 12.503 0.095 . 1 . . . A 15 ILE CD1 . 19288 1 70 . 1 1 15 15 ILE N N 15 124.585 0.025 . 1 . . . A 15 ILE N . 19288 1 71 . 1 1 16 16 CYS H H 1 9.141 0.016 . 1 . . . A 16 CYS H . 19288 1 72 . 1 1 16 16 CYS HA H 1 4.334 0.004 . 1 . . . A 16 CYS HA . 19288 1 73 . 1 1 16 16 CYS HB2 H 1 3.438 0.012 . 2 . . . A 16 CYS HB2 . 19288 1 74 . 1 1 16 16 CYS HB3 H 1 2.947 0.010 . 2 . . . A 16 CYS HB3 . 19288 1 75 . 1 1 16 16 CYS C C 13 174.675 0.000 . 1 . . . A 16 CYS C . 19288 1 76 . 1 1 16 16 CYS CA C 13 61.303 0.125 . 1 . . . A 16 CYS CA . 19288 1 77 . 1 1 16 16 CYS CB C 13 30.233 0.101 . 1 . . . A 16 CYS CB . 19288 1 78 . 1 1 16 16 CYS N N 15 129.411 0.078 . 1 . . . A 16 CYS N . 19288 1 79 . 1 1 17 17 GLU H H 1 10.744 0.005 . 1 . . . A 17 GLU H . 19288 1 80 . 1 1 17 17 GLU HA H 1 4.200 0.012 . 1 . . . A 17 GLU HA . 19288 1 81 . 1 1 17 17 GLU HB2 H 1 1.940 0.026 . 2 . . . A 17 GLU HB2 . 19288 1 82 . 1 1 17 17 GLU HB3 H 1 1.940 0.026 . 2 . . . A 17 GLU HB3 . 19288 1 83 . 1 1 17 17 GLU HG2 H 1 1.985 0.036 . 2 . . . A 17 GLU HG2 . 19288 1 84 . 1 1 17 17 GLU HG3 H 1 1.718 0.031 . 2 . . . A 17 GLU HG3 . 19288 1 85 . 1 1 17 17 GLU C C 13 175.826 0.000 . 1 . . . A 17 GLU C . 19288 1 86 . 1 1 17 17 GLU CA C 13 58.616 0.137 . 1 . . . A 17 GLU CA . 19288 1 87 . 1 1 17 17 GLU CB C 13 28.133 0.111 . 1 . . . A 17 GLU CB . 19288 1 88 . 1 1 17 17 GLU CG C 13 35.515 0.023 . 1 . . . A 17 GLU CG . 19288 1 89 . 1 1 17 17 GLU N N 15 133.830 0.107 . 1 . . . A 17 GLU N . 19288 1 90 . 1 1 18 18 TYR H H 1 9.190 0.010 . 1 . . . A 18 TYR H . 19288 1 91 . 1 1 18 18 TYR HA H 1 4.316 0.013 . 1 . . . A 18 TYR HA . 19288 1 92 . 1 1 18 18 TYR HB2 H 1 2.224 0.010 . 2 . . . A 18 TYR HB2 . 19288 1 93 . 1 1 18 18 TYR HB3 H 1 1.761 0.012 . 2 . . . A 18 TYR HB3 . 19288 1 94 . 1 1 18 18 TYR HD1 H 1 6.978 0.001 . 1 . . . A 18 TYR HD1 . 19288 1 95 . 1 1 18 18 TYR HD2 H 1 6.978 0.001 . 1 . . . A 18 TYR HD2 . 19288 1 96 . 1 1 18 18 TYR HE1 H 1 6.726 0.014 . 1 . . . A 18 TYR HE1 . 19288 1 97 . 1 1 18 18 TYR HE2 H 1 6.726 0.014 . 1 . . . A 18 TYR HE2 . 19288 1 98 . 1 1 18 18 TYR C C 13 176.782 0.000 . 1 . . . A 18 TYR C . 19288 1 99 . 1 1 18 18 TYR CA C 13 60.371 0.121 . 1 . . . A 18 TYR CA . 19288 1 100 . 1 1 18 18 TYR CB C 13 37.374 0.110 . 1 . . . A 18 TYR CB . 19288 1 101 . 1 1 18 18 TYR CD1 C 13 132.695 0.011 . 1 . . . A 18 TYR CD1 . 19288 1 102 . 1 1 18 18 TYR CE1 C 13 117.765 0.009 . 1 . . . A 18 TYR CE1 . 19288 1 103 . 1 1 18 18 TYR N N 15 121.850 0.019 . 1 . . . A 18 TYR N . 19288 1 104 . 1 1 19 19 CYS H H 1 7.999 0.006 . 1 . . . A 19 CYS H . 19288 1 105 . 1 1 19 19 CYS HA H 1 5.111 0.002 . 1 . . . A 19 CYS HA . 19288 1 106 . 1 1 19 19 CYS HB2 H 1 3.479 0.007 . 2 . . . A 19 CYS HB2 . 19288 1 107 . 1 1 19 19 CYS HB3 H 1 2.824 0.002 . 2 . . . A 19 CYS HB3 . 19288 1 108 . 1 1 19 19 CYS C C 13 176.019 0.000 . 1 . . . A 19 CYS C . 19288 1 109 . 1 1 19 19 CYS CA C 13 58.721 0.102 . 1 . . . A 19 CYS CA . 19288 1 110 . 1 1 19 19 CYS CB C 13 32.573 0.085 . 1 . . . A 19 CYS CB . 19288 1 111 . 1 1 19 19 CYS N N 15 116.138 0.072 . 1 . . . A 19 CYS N . 19288 1 112 . 1 1 20 20 ALA H H 1 8.067 0.005 . 1 . . . A 20 ALA H . 19288 1 113 . 1 1 20 20 ALA HA H 1 4.140 0.009 . 1 . . . A 20 ALA HA . 19288 1 114 . 1 1 20 20 ALA HB1 H 1 1.494 0.009 . 1 . . . A 20 ALA HB1 . 19288 1 115 . 1 1 20 20 ALA HB2 H 1 1.494 0.009 . 1 . . . A 20 ALA HB2 . 19288 1 116 . 1 1 20 20 ALA HB3 H 1 1.494 0.009 . 1 . . . A 20 ALA HB3 . 19288 1 117 . 1 1 20 20 ALA C C 13 177.014 0.000 . 1 . . . A 20 ALA C . 19288 1 118 . 1 1 20 20 ALA CA C 13 54.584 0.243 . 1 . . . A 20 ALA CA . 19288 1 119 . 1 1 20 20 ALA CB C 13 17.127 0.067 . 1 . . . A 20 ALA CB . 19288 1 120 . 1 1 20 20 ALA N N 15 122.058 0.063 . 1 . . . A 20 ALA N . 19288 1 121 . 1 1 21 21 ARG H H 1 7.947 0.011 . 1 . . . A 21 ARG H . 19288 1 122 . 1 1 21 21 ARG HA H 1 4.003 0.003 . 1 . . . A 21 ARG HA . 19288 1 123 . 1 1 21 21 ARG HB2 H 1 1.514 0.006 . 2 . . . A 21 ARG HB2 . 19288 1 124 . 1 1 21 21 ARG HB3 H 1 1.514 0.006 . 2 . . . A 21 ARG HB3 . 19288 1 125 . 1 1 21 21 ARG HG2 H 1 1.742 0.123 . 2 . . . A 21 ARG HG2 . 19288 1 126 . 1 1 21 21 ARG HG3 H 1 1.285 0.009 . 2 . . . A 21 ARG HG3 . 19288 1 127 . 1 1 21 21 ARG HD2 H 1 3.098 0.005 . 2 . . . A 21 ARG HD2 . 19288 1 128 . 1 1 21 21 ARG HD3 H 1 2.851 0.008 . 2 . . . A 21 ARG HD3 . 19288 1 129 . 1 1 21 21 ARG C C 13 175.133 0.000 . 1 . . . A 21 ARG C . 19288 1 130 . 1 1 21 21 ARG CA C 13 58.236 0.154 . 1 . . . A 21 ARG CA . 19288 1 131 . 1 1 21 21 ARG CB C 13 31.677 0.072 . 1 . . . A 21 ARG CB . 19288 1 132 . 1 1 21 21 ARG CG C 13 28.289 0.061 . 1 . . . A 21 ARG CG . 19288 1 133 . 1 1 21 21 ARG CD C 13 43.884 0.046 . 1 . . . A 21 ARG CD . 19288 1 134 . 1 1 21 21 ARG N N 15 121.286 0.031 . 1 . . . A 21 ARG N . 19288 1 135 . 1 1 22 22 ALA H H 1 7.968 0.005 . 1 . . . A 22 ALA H . 19288 1 136 . 1 1 22 22 ALA HA H 1 5.008 0.006 . 1 . . . A 22 ALA HA . 19288 1 137 . 1 1 22 22 ALA HB1 H 1 1.170 0.013 . 1 . . . A 22 ALA HB1 . 19288 1 138 . 1 1 22 22 ALA HB2 H 1 1.170 0.013 . 1 . . . A 22 ALA HB2 . 19288 1 139 . 1 1 22 22 ALA HB3 H 1 1.170 0.013 . 1 . . . A 22 ALA HB3 . 19288 1 140 . 1 1 22 22 ALA C C 13 175.750 0.000 . 1 . . . A 22 ALA C . 19288 1 141 . 1 1 22 22 ALA CA C 13 50.811 0.092 . 1 . . . A 22 ALA CA . 19288 1 142 . 1 1 22 22 ALA CB C 13 21.928 0.213 . 1 . . . A 22 ALA CB . 19288 1 143 . 1 1 22 22 ALA N N 15 123.966 0.054 . 1 . . . A 22 ALA N . 19288 1 144 . 1 1 23 23 PHE H H 1 9.004 0.011 . 1 . . . A 23 PHE H . 19288 1 145 . 1 1 23 23 PHE HA H 1 4.678 0.009 . 1 . . . A 23 PHE HA . 19288 1 146 . 1 1 23 23 PHE HB2 H 1 2.833 0.016 . 1 . . . A 23 PHE HB2 . 19288 1 147 . 1 1 23 23 PHE HB3 H 1 3.329 0.005 . 1 . . . A 23 PHE HB3 . 19288 1 148 . 1 1 23 23 PHE HD1 H 1 7.326 0.005 . 1 . . . A 23 PHE HD1 . 19288 1 149 . 1 1 23 23 PHE HD2 H 1 7.326 0.005 . 1 . . . A 23 PHE HD2 . 19288 1 150 . 1 1 23 23 PHE HE1 H 1 6.789 0.002 . 1 . . . A 23 PHE HE1 . 19288 1 151 . 1 1 23 23 PHE HE2 H 1 6.789 0.002 . 1 . . . A 23 PHE HE2 . 19288 1 152 . 1 1 23 23 PHE C C 13 173.852 0.000 . 1 . . . A 23 PHE C . 19288 1 153 . 1 1 23 23 PHE CA C 13 57.367 0.114 . 1 . . . A 23 PHE CA . 19288 1 154 . 1 1 23 23 PHE CB C 13 43.458 0.100 . 1 . . . A 23 PHE CB . 19288 1 155 . 1 1 23 23 PHE CD2 C 13 131.713 0.017 . 1 . . . A 23 PHE CD2 . 19288 1 156 . 1 1 23 23 PHE CE2 C 13 130.266 0.091 . 1 . . . A 23 PHE CE2 . 19288 1 157 . 1 1 23 23 PHE N N 15 118.728 0.030 . 1 . . . A 23 PHE N . 19288 1 158 . 1 1 24 24 LYS H H 1 9.211 0.004 . 1 . . . A 24 LYS H . 19288 1 159 . 1 1 24 24 LYS HA H 1 4.709 0.009 . 1 . . . A 24 LYS HA . 19288 1 160 . 1 1 24 24 LYS HB2 H 1 2.062 0.021 . 2 . . . A 24 LYS HB2 . 19288 1 161 . 1 1 24 24 LYS HB3 H 1 2.062 0.021 . 2 . . . A 24 LYS HB3 . 19288 1 162 . 1 1 24 24 LYS HG2 H 1 1.553 0.014 . 2 . . . A 24 LYS HG2 . 19288 1 163 . 1 1 24 24 LYS HG3 H 1 1.553 0.014 . 2 . . . A 24 LYS HG3 . 19288 1 164 . 1 1 24 24 LYS HD2 H 1 1.919 0.014 . 2 . . . A 24 LYS HD2 . 19288 1 165 . 1 1 24 24 LYS HD3 H 1 1.919 0.014 . 2 . . . A 24 LYS HD3 . 19288 1 166 . 1 1 24 24 LYS HE2 H 1 2.968 0.014 . 2 . . . A 24 LYS HE2 . 19288 1 167 . 1 1 24 24 LYS HE3 H 1 2.968 0.014 . 2 . . . A 24 LYS HE3 . 19288 1 168 . 1 1 24 24 LYS C C 13 176.934 0.000 . 1 . . . A 24 LYS C . 19288 1 169 . 1 1 24 24 LYS CA C 13 56.482 0.075 . 1 . . . A 24 LYS CA . 19288 1 170 . 1 1 24 24 LYS CB C 13 33.111 0.099 . 1 . . . A 24 LYS CB . 19288 1 171 . 1 1 24 24 LYS CG C 13 25.131 0.027 . 1 . . . A 24 LYS CG . 19288 1 172 . 1 1 24 24 LYS CE C 13 42.349 0.047 . 1 . . . A 24 LYS CE . 19288 1 173 . 1 1 24 24 LYS N N 15 119.176 0.060 . 1 . . . A 24 LYS N . 19288 1 174 . 1 1 25 25 SER H H 1 7.474 0.003 . 1 . . . A 25 SER H . 19288 1 175 . 1 1 25 25 SER HA H 1 4.566 0.003 . 1 . . . A 25 SER HA . 19288 1 176 . 1 1 25 25 SER HB2 H 1 4.085 0.009 . 2 . . . A 25 SER HB2 . 19288 1 177 . 1 1 25 25 SER HB3 H 1 3.846 0.009 . 2 . . . A 25 SER HB3 . 19288 1 178 . 1 1 25 25 SER C C 13 175.671 0.000 . 1 . . . A 25 SER C . 19288 1 179 . 1 1 25 25 SER CA C 13 55.683 0.025 . 1 . . . A 25 SER CA . 19288 1 180 . 1 1 25 25 SER CB C 13 66.490 0.155 . 1 . . . A 25 SER CB . 19288 1 181 . 1 1 25 25 SER N N 15 110.950 0.133 . 1 . . . A 25 SER N . 19288 1 182 . 1 1 26 26 SER H H 1 8.487 0.002 . 1 . . . A 26 SER H . 19288 1 183 . 1 1 26 26 SER C C 13 176.269 0.000 . 1 . . . A 26 SER C . 19288 1 184 . 1 1 26 26 SER CA C 13 60.616 0.000 . 1 . . . A 26 SER CA . 19288 1 185 . 1 1 26 26 SER CB C 13 61.758 0.000 . 1 . . . A 26 SER CB . 19288 1 186 . 1 1 26 26 SER N N 15 119.411 0.039 . 1 . . . A 26 SER N . 19288 1 187 . 1 1 27 27 HIS HA H 1 4.258 0.008 . 1 . . . A 27 HIS HA . 19288 1 188 . 1 1 27 27 HIS HB2 H 1 3.135 0.005 . 2 . . . A 27 HIS HB2 . 19288 1 189 . 1 1 27 27 HIS HB3 H 1 2.893 0.008 . 2 . . . A 27 HIS HB3 . 19288 1 190 . 1 1 27 27 HIS C C 13 173.658 0.000 . 1 . . . A 27 HIS C . 19288 1 191 . 1 1 27 27 HIS CA C 13 59.581 0.075 . 1 . . . A 27 HIS CA . 19288 1 192 . 1 1 27 27 HIS CB C 13 29.913 0.047 . 1 . . . A 27 HIS CB . 19288 1 193 . 1 1 28 28 ASN H H 1 7.681 0.008 . 1 . . . A 28 ASN H . 19288 1 194 . 1 1 28 28 ASN HA H 1 4.216 0.007 . 1 . . . A 28 ASN HA . 19288 1 195 . 1 1 28 28 ASN HB2 H 1 2.851 0.008 . 2 . . . A 28 ASN HB2 . 19288 1 196 . 1 1 28 28 ASN HB3 H 1 2.851 0.008 . 2 . . . A 28 ASN HB3 . 19288 1 197 . 1 1 28 28 ASN HD21 H 1 7.867 0.002 . 2 . . . A 28 ASN HD21 . 19288 1 198 . 1 1 28 28 ASN HD22 H 1 7.170 0.002 . 2 . . . A 28 ASN HD22 . 19288 1 199 . 1 1 28 28 ASN CA C 13 55.547 0.095 . 1 . . . A 28 ASN CA . 19288 1 200 . 1 1 28 28 ASN CB C 13 37.634 0.152 . 1 . . . A 28 ASN CB . 19288 1 201 . 1 1 28 28 ASN N N 15 117.126 0.047 . 1 . . . A 28 ASN N . 19288 1 202 . 1 1 28 28 ASN ND2 N 15 111.499 0.165 . 1 . . . A 28 ASN ND2 . 19288 1 203 . 1 1 29 29 LEU H H 1 7.300 0.024 . 1 . . . A 29 LEU H . 19288 1 204 . 1 1 29 29 LEU HA H 1 3.177 0.008 . 1 . . . A 29 LEU HA . 19288 1 205 . 1 1 29 29 LEU HB2 H 1 1.295 0.020 . 1 . . . A 29 LEU HB2 . 19288 1 206 . 1 1 29 29 LEU HB3 H 1 1.835 0.009 . 1 . . . A 29 LEU HB3 . 19288 1 207 . 1 1 29 29 LEU HG H 1 1.462 0.009 . 1 . . . A 29 LEU HG . 19288 1 208 . 1 1 29 29 LEU HD11 H 1 1.016 0.011 . 2 . . . A 29 LEU HD11 . 19288 1 209 . 1 1 29 29 LEU HD12 H 1 1.016 0.011 . 2 . . . A 29 LEU HD12 . 19288 1 210 . 1 1 29 29 LEU HD13 H 1 1.016 0.011 . 2 . . . A 29 LEU HD13 . 19288 1 211 . 1 1 29 29 LEU HD21 H 1 1.006 0.009 . 2 . . . A 29 LEU HD21 . 19288 1 212 . 1 1 29 29 LEU HD22 H 1 1.006 0.009 . 2 . . . A 29 LEU HD22 . 19288 1 213 . 1 1 29 29 LEU HD23 H 1 1.006 0.009 . 2 . . . A 29 LEU HD23 . 19288 1 214 . 1 1 29 29 LEU C C 13 176.205 0.000 . 1 . . . A 29 LEU C . 19288 1 215 . 1 1 29 29 LEU CA C 13 57.893 0.081 . 1 . . . A 29 LEU CA . 19288 1 216 . 1 1 29 29 LEU CB C 13 40.524 0.102 . 1 . . . A 29 LEU CB . 19288 1 217 . 1 1 29 29 LEU CG C 13 27.608 0.031 . 1 . . . A 29 LEU CG . 19288 1 218 . 1 1 29 29 LEU CD1 C 13 27.073 0.156 . 1 . . . A 29 LEU CD1 . 19288 1 219 . 1 1 29 29 LEU CD2 C 13 22.593 0.034 . 1 . . . A 29 LEU CD2 . 19288 1 220 . 1 1 29 29 LEU N N 15 121.121 0.105 . 1 . . . A 29 LEU N . 19288 1 221 . 1 1 30 30 ALA H H 1 7.987 0.006 . 1 . . . A 30 ALA H . 19288 1 222 . 1 1 30 30 ALA HA H 1 3.917 0.013 . 1 . . . A 30 ALA HA . 19288 1 223 . 1 1 30 30 ALA HB1 H 1 1.407 0.008 . 1 . . . A 30 ALA HB1 . 19288 1 224 . 1 1 30 30 ALA HB2 H 1 1.407 0.008 . 1 . . . A 30 ALA HB2 . 19288 1 225 . 1 1 30 30 ALA HB3 H 1 1.407 0.008 . 1 . . . A 30 ALA HB3 . 19288 1 226 . 1 1 30 30 ALA C C 13 178.363 0.000 . 1 . . . A 30 ALA C . 19288 1 227 . 1 1 30 30 ALA CA C 13 55.487 0.079 . 1 . . . A 30 ALA CA . 19288 1 228 . 1 1 30 30 ALA CB C 13 17.947 0.131 . 1 . . . A 30 ALA CB . 19288 1 229 . 1 1 30 30 ALA N N 15 122.058 0.071 . 1 . . . A 30 ALA N . 19288 1 230 . 1 1 31 31 VAL H H 1 7.636 0.010 . 1 . . . A 31 VAL H . 19288 1 231 . 1 1 31 31 VAL HA H 1 3.556 0.005 . 1 . . . A 31 VAL HA . 19288 1 232 . 1 1 31 31 VAL HB H 1 1.788 0.004 . 1 . . . A 31 VAL HB . 19288 1 233 . 1 1 31 31 VAL HG11 H 1 0.767 0.000 . 2 . . . A 31 VAL HG11 . 19288 1 234 . 1 1 31 31 VAL HG12 H 1 0.767 0.000 . 2 . . . A 31 VAL HG12 . 19288 1 235 . 1 1 31 31 VAL HG13 H 1 0.767 0.000 . 2 . . . A 31 VAL HG13 . 19288 1 236 . 1 1 31 31 VAL HG21 H 1 0.767 0.000 . 2 . . . A 31 VAL HG21 . 19288 1 237 . 1 1 31 31 VAL HG22 H 1 0.767 0.000 . 2 . . . A 31 VAL HG22 . 19288 1 238 . 1 1 31 31 VAL HG23 H 1 0.767 0.000 . 2 . . . A 31 VAL HG23 . 19288 1 239 . 1 1 31 31 VAL C C 13 176.352 0.000 . 1 . . . A 31 VAL C . 19288 1 240 . 1 1 31 31 VAL CA C 13 65.936 0.136 . 1 . . . A 31 VAL CA . 19288 1 241 . 1 1 31 31 VAL CB C 13 32.281 0.065 . 1 . . . A 31 VAL CB . 19288 1 242 . 1 1 31 31 VAL CG1 C 13 22.146 0.073 . 1 . . . A 31 VAL CG1 . 19288 1 243 . 1 1 31 31 VAL CG2 C 13 21.277 0.065 . 1 . . . A 31 VAL CG2 . 19288 1 244 . 1 1 31 31 VAL N N 15 116.442 0.095 . 1 . . . A 31 VAL N . 19288 1 245 . 1 1 32 32 HIS H H 1 7.364 0.012 . 1 . . . A 32 HIS H . 19288 1 246 . 1 1 32 32 HIS HA H 1 4.125 0.027 . 1 . . . A 32 HIS HA . 19288 1 247 . 1 1 32 32 HIS HB2 H 1 2.799 0.047 . 2 . . . A 32 HIS HB2 . 19288 1 248 . 1 1 32 32 HIS HB3 H 1 2.799 0.047 . 2 . . . A 32 HIS HB3 . 19288 1 249 . 1 1 32 32 HIS HD2 H 1 6.915 0.026 . 1 . . . A 32 HIS HD2 . 19288 1 250 . 1 1 32 32 HIS C C 13 180.696 0.000 . 1 . . . A 32 HIS C . 19288 1 251 . 1 1 32 32 HIS CA C 13 59.377 0.079 . 1 . . . A 32 HIS CA . 19288 1 252 . 1 1 32 32 HIS CB C 13 28.332 0.028 . 1 . . . A 32 HIS CB . 19288 1 253 . 1 1 32 32 HIS CD2 C 13 127.179 0.005 . 1 . . . A 32 HIS CD2 . 19288 1 254 . 1 1 32 32 HIS N N 15 119.885 0.067 . 1 . . . A 32 HIS N . 19288 1 255 . 1 1 33 33 ARG H H 1 8.633 0.008 . 1 . . . A 33 ARG H . 19288 1 256 . 1 1 33 33 ARG HA H 1 3.658 0.007 . 1 . . . A 33 ARG HA . 19288 1 257 . 1 1 33 33 ARG HB2 H 1 2.009 0.011 . 2 . . . A 33 ARG HB2 . 19288 1 258 . 1 1 33 33 ARG HB3 H 1 2.009 0.011 . 2 . . . A 33 ARG HB3 . 19288 1 259 . 1 1 33 33 ARG HG2 H 1 2.055 0.007 . 2 . . . A 33 ARG HG2 . 19288 1 260 . 1 1 33 33 ARG HG3 H 1 2.055 0.007 . 2 . . . A 33 ARG HG3 . 19288 1 261 . 1 1 33 33 ARG HD2 H 1 3.392 0.007 . 2 . . . A 33 ARG HD2 . 19288 1 262 . 1 1 33 33 ARG HD3 H 1 3.392 0.007 . 2 . . . A 33 ARG HD3 . 19288 1 263 . 1 1 33 33 ARG C C 13 178.735 0.000 . 1 . . . A 33 ARG C . 19288 1 264 . 1 1 33 33 ARG CA C 13 60.012 0.094 . 1 . . . A 33 ARG CA . 19288 1 265 . 1 1 33 33 ARG CB C 13 31.144 0.107 . 1 . . . A 33 ARG CB . 19288 1 266 . 1 1 33 33 ARG CG C 13 30.041 0.069 . 1 . . . A 33 ARG CG . 19288 1 267 . 1 1 33 33 ARG CD C 13 44.212 0.026 . 1 . . . A 33 ARG CD . 19288 1 268 . 1 1 33 33 ARG N N 15 115.795 0.128 . 1 . . . A 33 ARG N . 19288 1 269 . 1 1 34 34 MET H H 1 7.057 0.010 . 1 . . . A 34 MET H . 19288 1 270 . 1 1 34 34 MET HA H 1 4.211 0.007 . 1 . . . A 34 MET HA . 19288 1 271 . 1 1 34 34 MET HB2 H 1 2.803 0.008 . 2 . . . A 34 MET HB2 . 19288 1 272 . 1 1 34 34 MET HB3 H 1 2.523 0.020 . 2 . . . A 34 MET HB3 . 19288 1 273 . 1 1 34 34 MET HG2 H 1 2.039 0.009 . 2 . . . A 34 MET HG2 . 19288 1 274 . 1 1 34 34 MET HG3 H 1 2.039 0.009 . 2 . . . A 34 MET HG3 . 19288 1 275 . 1 1 34 34 MET C C 13 176.427 0.000 . 1 . . . A 34 MET C . 19288 1 276 . 1 1 34 34 MET CA C 13 57.866 0.144 . 1 . . . A 34 MET CA . 19288 1 277 . 1 1 34 34 MET CB C 13 32.221 0.068 . 1 . . . A 34 MET CB . 19288 1 278 . 1 1 34 34 MET CG C 13 32.448 0.019 . 1 . . . A 34 MET CG . 19288 1 279 . 1 1 34 34 MET N N 15 115.672 0.079 . 1 . . . A 34 MET N . 19288 1 280 . 1 1 35 35 ILE H H 1 7.811 0.010 . 1 . . . A 35 ILE H . 19288 1 281 . 1 1 35 35 ILE HA H 1 3.904 0.008 . 1 . . . A 35 ILE HA . 19288 1 282 . 1 1 35 35 ILE HB H 1 1.604 0.010 . 1 . . . A 35 ILE HB . 19288 1 283 . 1 1 35 35 ILE HG12 H 1 0.821 0.012 . 2 . . . A 35 ILE HG12 . 19288 1 284 . 1 1 35 35 ILE HG13 H 1 0.523 0.013 . 2 . . . A 35 ILE HG13 . 19288 1 285 . 1 1 35 35 ILE HG21 H 1 0.521 0.004 . 1 . . . A 35 ILE HG21 . 19288 1 286 . 1 1 35 35 ILE HG22 H 1 0.521 0.004 . 1 . . . A 35 ILE HG22 . 19288 1 287 . 1 1 35 35 ILE HG23 H 1 0.521 0.004 . 1 . . . A 35 ILE HG23 . 19288 1 288 . 1 1 35 35 ILE HD11 H 1 0.609 0.021 . 1 . . . A 35 ILE HD11 . 19288 1 289 . 1 1 35 35 ILE HD12 H 1 0.609 0.021 . 1 . . . A 35 ILE HD12 . 19288 1 290 . 1 1 35 35 ILE HD13 H 1 0.609 0.021 . 1 . . . A 35 ILE HD13 . 19288 1 291 . 1 1 35 35 ILE C C 13 177.504 0.000 . 1 . . . A 35 ILE C . 19288 1 292 . 1 1 35 35 ILE CA C 13 63.402 0.113 . 1 . . . A 35 ILE CA . 19288 1 293 . 1 1 35 35 ILE CB C 13 37.724 0.085 . 1 . . . A 35 ILE CB . 19288 1 294 . 1 1 35 35 ILE CG1 C 13 26.376 0.056 . 1 . . . A 35 ILE CG1 . 19288 1 295 . 1 1 35 35 ILE CG2 C 13 16.480 0.067 . 1 . . . A 35 ILE CG2 . 19288 1 296 . 1 1 35 35 ILE CD1 C 13 14.672 0.062 . 1 . . . A 35 ILE CD1 . 19288 1 297 . 1 1 35 35 ILE N N 15 116.381 0.128 . 1 . . . A 35 ILE N . 19288 1 298 . 1 1 36 36 HIS H H 1 7.247 0.006 . 1 . . . A 36 HIS H . 19288 1 299 . 1 1 36 36 HIS HA H 1 4.481 0.062 . 1 . . . A 36 HIS HA . 19288 1 300 . 1 1 36 36 HIS HB2 H 1 2.388 0.011 . 2 . . . A 36 HIS HB2 . 19288 1 301 . 1 1 36 36 HIS HB3 H 1 2.129 0.008 . 2 . . . A 36 HIS HB3 . 19288 1 302 . 1 1 36 36 HIS HD2 H 1 6.586 0.003 . 1 . . . A 36 HIS HD2 . 19288 1 303 . 1 1 36 36 HIS C C 13 178.413 0.000 . 1 . . . A 36 HIS C . 19288 1 304 . 1 1 36 36 HIS CA C 13 55.260 0.103 . 1 . . . A 36 HIS CA . 19288 1 305 . 1 1 36 36 HIS CB C 13 28.066 0.056 . 1 . . . A 36 HIS CB . 19288 1 306 . 1 1 36 36 HIS CD2 C 13 128.465 0.014 . 1 . . . A 36 HIS CD2 . 19288 1 307 . 1 1 36 36 HIS N N 15 117.423 0.108 . 1 . . . A 36 HIS N . 19288 1 308 . 1 1 37 37 THR H H 1 7.553 0.007 . 1 . . . A 37 THR H . 19288 1 309 . 1 1 37 37 THR HA H 1 4.160 0.014 . 1 . . . A 37 THR HA . 19288 1 310 . 1 1 37 37 THR HB H 1 4.249 0.024 . 1 . . . A 37 THR HB . 19288 1 311 . 1 1 37 37 THR HG21 H 1 1.161 0.007 . 1 . . . A 37 THR HG21 . 19288 1 312 . 1 1 37 37 THR HG22 H 1 1.161 0.007 . 1 . . . A 37 THR HG22 . 19288 1 313 . 1 1 37 37 THR HG23 H 1 1.161 0.007 . 1 . . . A 37 THR HG23 . 19288 1 314 . 1 1 37 37 THR C C 13 177.179 0.000 . 1 . . . A 37 THR C . 19288 1 315 . 1 1 37 37 THR CA C 13 62.791 0.209 . 1 . . . A 37 THR CA . 19288 1 316 . 1 1 37 37 THR CB C 13 69.712 0.161 . 1 . . . A 37 THR CB . 19288 1 317 . 1 1 37 37 THR CG2 C 13 21.237 0.151 . 1 . . . A 37 THR CG2 . 19288 1 318 . 1 1 37 37 THR N N 15 110.804 0.087 . 1 . . . A 37 THR N . 19288 1 319 . 1 1 38 38 GLY H H 1 8.195 0.002 . 1 . . . A 38 GLY H . 19288 1 320 . 1 1 38 38 GLY HA2 H 1 3.948 0.006 . 2 . . . A 38 GLY HA2 . 19288 1 321 . 1 1 38 38 GLY HA3 H 1 3.948 0.006 . 2 . . . A 38 GLY HA3 . 19288 1 322 . 1 1 38 38 GLY C C 13 175.821 0.000 . 1 . . . A 38 GLY C . 19288 1 323 . 1 1 38 38 GLY CA C 13 45.403 0.083 . 1 . . . A 38 GLY CA . 19288 1 324 . 1 1 38 38 GLY N N 15 110.842 0.091 . 1 . . . A 38 GLY N . 19288 1 325 . 1 1 39 39 GLU H H 1 7.953 0.003 . 1 . . . A 39 GLU H . 19288 1 326 . 1 1 39 39 GLU HA H 1 4.238 0.017 . 1 . . . A 39 GLU HA . 19288 1 327 . 1 1 39 39 GLU HB2 H 1 1.910 0.036 . 2 . . . A 39 GLU HB2 . 19288 1 328 . 1 1 39 39 GLU HB3 H 1 1.910 0.036 . 2 . . . A 39 GLU HB3 . 19288 1 329 . 1 1 39 39 GLU HG2 H 1 2.201 0.016 . 2 . . . A 39 GLU HG2 . 19288 1 330 . 1 1 39 39 GLU HG3 H 1 2.201 0.016 . 2 . . . A 39 GLU HG3 . 19288 1 331 . 1 1 39 39 GLU C C 13 175.390 0.000 . 1 . . . A 39 GLU C . 19288 1 332 . 1 1 39 39 GLU CA C 13 56.572 0.095 . 1 . . . A 39 GLU CA . 19288 1 333 . 1 1 39 39 GLU CB C 13 30.746 0.091 . 1 . . . A 39 GLU CB . 19288 1 334 . 1 1 39 39 GLU CG C 13 36.586 0.050 . 1 . . . A 39 GLU CG . 19288 1 335 . 1 1 39 39 GLU N N 15 120.441 0.037 . 1 . . . A 39 GLU N . 19288 1 336 . 1 1 40 40 LYS H H 1 8.321 0.013 . 1 . . . A 40 LYS H . 19288 1 337 . 1 1 40 40 LYS HA H 1 4.534 0.001 . 1 . . . A 40 LYS HA . 19288 1 338 . 1 1 40 40 LYS HB2 H 1 1.734 0.003 . 2 . . . A 40 LYS HB2 . 19288 1 339 . 1 1 40 40 LYS HB3 H 1 1.734 0.003 . 2 . . . A 40 LYS HB3 . 19288 1 340 . 1 1 40 40 LYS HG2 H 1 1.424 0.006 . 2 . . . A 40 LYS HG2 . 19288 1 341 . 1 1 40 40 LYS HG3 H 1 1.424 0.006 . 2 . . . A 40 LYS HG3 . 19288 1 342 . 1 1 40 40 LYS HD2 H 1 1.636 0.002 . 2 . . . A 40 LYS HD2 . 19288 1 343 . 1 1 40 40 LYS HD3 H 1 1.636 0.002 . 2 . . . A 40 LYS HD3 . 19288 1 344 . 1 1 40 40 LYS HE2 H 1 2.963 0.005 . 2 . . . A 40 LYS HE2 . 19288 1 345 . 1 1 40 40 LYS HE3 H 1 2.963 0.005 . 2 . . . A 40 LYS HE3 . 19288 1 346 . 1 1 40 40 LYS C C 13 174.124 0.000 . 1 . . . A 40 LYS C . 19288 1 347 . 1 1 40 40 LYS CA C 13 54.236 0.100 . 1 . . . A 40 LYS CA . 19288 1 348 . 1 1 40 40 LYS CB C 13 32.769 0.056 . 1 . . . A 40 LYS CB . 19288 1 349 . 1 1 40 40 LYS CG C 13 24.535 0.054 . 1 . . . A 40 LYS CG . 19288 1 350 . 1 1 40 40 LYS CD C 13 29.262 0.000 . 1 . . . A 40 LYS CD . 19288 1 351 . 1 1 40 40 LYS CE C 13 42.635 0.000 . 1 . . . A 40 LYS CE . 19288 1 352 . 1 1 40 40 LYS N N 15 123.624 0.039 . 1 . . . A 40 LYS N . 19288 1 353 . 1 1 41 41 PRO HA H 1 4.404 0.005 . 1 . . . A 41 PRO HA . 19288 1 354 . 1 1 41 41 PRO HB2 H 1 1.815 0.013 . 1 . . . A 41 PRO HB2 . 19288 1 355 . 1 1 41 41 PRO HB3 H 1 2.046 0.018 . 1 . . . A 41 PRO HB3 . 19288 1 356 . 1 1 41 41 PRO HG2 H 1 1.879 0.012 . 2 . . . A 41 PRO HG2 . 19288 1 357 . 1 1 41 41 PRO HG3 H 1 1.879 0.012 . 2 . . . A 41 PRO HG3 . 19288 1 358 . 1 1 41 41 PRO HD2 H 1 3.715 0.016 . 2 . . . A 41 PRO HD2 . 19288 1 359 . 1 1 41 41 PRO HD3 H 1 3.577 0.012 . 2 . . . A 41 PRO HD3 . 19288 1 360 . 1 1 41 41 PRO C C 13 176.103 0.000 . 1 . . . A 41 PRO C . 19288 1 361 . 1 1 41 41 PRO CA C 13 63.174 0.127 . 1 . . . A 41 PRO CA . 19288 1 362 . 1 1 41 41 PRO CB C 13 32.306 0.107 . 1 . . . A 41 PRO CB . 19288 1 363 . 1 1 41 41 PRO CG C 13 27.267 0.054 . 1 . . . A 41 PRO CG . 19288 1 364 . 1 1 41 41 PRO CD C 13 50.715 0.027 . 1 . . . A 41 PRO CD . 19288 1 365 . 1 1 42 42 LEU H H 1 8.293 0.003 . 1 . . . A 42 LEU H . 19288 1 366 . 1 1 42 42 LEU HA H 1 4.381 0.005 . 1 . . . A 42 LEU HA . 19288 1 367 . 1 1 42 42 LEU HB2 H 1 1.804 0.007 . 1 . . . A 42 LEU HB2 . 19288 1 368 . 1 1 42 42 LEU HB3 H 1 1.323 0.011 . 1 . . . A 42 LEU HB3 . 19288 1 369 . 1 1 42 42 LEU HG H 1 1.633 0.005 . 1 . . . A 42 LEU HG . 19288 1 370 . 1 1 42 42 LEU HD11 H 1 0.690 0.000 . 2 . . . A 42 LEU HD11 . 19288 1 371 . 1 1 42 42 LEU HD12 H 1 0.690 0.000 . 2 . . . A 42 LEU HD12 . 19288 1 372 . 1 1 42 42 LEU HD13 H 1 0.690 0.000 . 2 . . . A 42 LEU HD13 . 19288 1 373 . 1 1 42 42 LEU HD21 H 1 0.690 0.000 . 2 . . . A 42 LEU HD21 . 19288 1 374 . 1 1 42 42 LEU HD22 H 1 0.690 0.000 . 2 . . . A 42 LEU HD22 . 19288 1 375 . 1 1 42 42 LEU HD23 H 1 0.690 0.000 . 2 . . . A 42 LEU HD23 . 19288 1 376 . 1 1 42 42 LEU CA C 13 54.626 0.085 . 1 . . . A 42 LEU CA . 19288 1 377 . 1 1 42 42 LEU CB C 13 42.719 0.086 . 1 . . . A 42 LEU CB . 19288 1 378 . 1 1 42 42 LEU CG C 13 27.292 0.200 . 1 . . . A 42 LEU CG . 19288 1 379 . 1 1 42 42 LEU CD1 C 13 25.771 0.038 . 1 . . . A 42 LEU CD1 . 19288 1 380 . 1 1 42 42 LEU CD2 C 13 23.217 0.047 . 1 . . . A 42 LEU CD2 . 19288 1 381 . 1 1 42 42 LEU N N 15 122.177 0.024 . 1 . . . A 42 LEU N . 19288 1 382 . 1 1 43 43 GLN H H 1 8.180 0.003 . 1 . . . A 43 GLN H . 19288 1 383 . 1 1 43 43 GLN HA H 1 5.181 0.007 . 1 . . . A 43 GLN HA . 19288 1 384 . 1 1 43 43 GLN HB2 H 1 1.741 0.000 . 2 . . . A 43 GLN HB2 . 19288 1 385 . 1 1 43 43 GLN HB3 H 1 1.741 0.000 . 2 . . . A 43 GLN HB3 . 19288 1 386 . 1 1 43 43 GLN HG2 H 1 2.019 0.008 . 2 . . . A 43 GLN HG2 . 19288 1 387 . 1 1 43 43 GLN HG3 H 1 2.019 0.008 . 2 . . . A 43 GLN HG3 . 19288 1 388 . 1 1 43 43 GLN HE21 H 1 7.447 0.000 . 2 . . . A 43 GLN HE21 . 19288 1 389 . 1 1 43 43 GLN HE22 H 1 6.736 0.004 . 2 . . . A 43 GLN HE22 . 19288 1 390 . 1 1 43 43 GLN C C 13 176.325 0.000 . 1 . . . A 43 GLN C . 19288 1 391 . 1 1 43 43 GLN CA C 13 53.898 0.085 . 1 . . . A 43 GLN CA . 19288 1 392 . 1 1 43 43 GLN CB C 13 32.969 0.134 . 1 . . . A 43 GLN CB . 19288 1 393 . 1 1 43 43 GLN CG C 13 33.935 0.130 . 1 . . . A 43 GLN CG . 19288 1 394 . 1 1 43 43 GLN N N 15 119.188 0.058 . 1 . . . A 43 GLN N . 19288 1 395 . 1 1 43 43 GLN NE2 N 15 111.578 0.081 . 1 . . . A 43 GLN NE2 . 19288 1 396 . 1 1 44 44 CYS H H 1 9.299 0.008 . 1 . . . A 44 CYS H . 19288 1 397 . 1 1 44 44 CYS HA H 1 4.453 0.025 . 1 . . . A 44 CYS HA . 19288 1 398 . 1 1 44 44 CYS HB2 H 1 3.352 0.008 . 2 . . . A 44 CYS HB2 . 19288 1 399 . 1 1 44 44 CYS HB3 H 1 2.839 0.014 . 2 . . . A 44 CYS HB3 . 19288 1 400 . 1 1 44 44 CYS C C 13 175.677 0.000 . 1 . . . A 44 CYS C . 19288 1 401 . 1 1 44 44 CYS CA C 13 59.437 0.203 . 1 . . . A 44 CYS CA . 19288 1 402 . 1 1 44 44 CYS CB C 13 30.721 0.123 . 1 . . . A 44 CYS CB . 19288 1 403 . 1 1 44 44 CYS N N 15 127.346 0.079 . 1 . . . A 44 CYS N . 19288 1 404 . 1 1 45 45 GLU H H 1 9.602 0.006 . 1 . . . A 45 GLU H . 19288 1 405 . 1 1 45 45 GLU HA H 1 4.178 0.004 . 1 . . . A 45 GLU HA . 19288 1 406 . 1 1 45 45 GLU HB2 H 1 2.160 0.003 . 2 . . . A 45 GLU HB2 . 19288 1 407 . 1 1 45 45 GLU HB3 H 1 2.160 0.003 . 2 . . . A 45 GLU HB3 . 19288 1 408 . 1 1 45 45 GLU HG2 H 1 2.341 0.007 . 2 . . . A 45 GLU HG2 . 19288 1 409 . 1 1 45 45 GLU HG3 H 1 2.341 0.007 . 2 . . . A 45 GLU HG3 . 19288 1 410 . 1 1 45 45 GLU C C 13 174.655 0.000 . 1 . . . A 45 GLU C . 19288 1 411 . 1 1 45 45 GLU CA C 13 58.342 0.100 . 1 . . . A 45 GLU CA . 19288 1 412 . 1 1 45 45 GLU CB C 13 29.819 0.116 . 1 . . . A 45 GLU CB . 19288 1 413 . 1 1 45 45 GLU CG C 13 36.550 0.000 . 1 . . . A 45 GLU CG . 19288 1 414 . 1 1 45 45 GLU N N 15 131.846 0.075 . 1 . . . A 45 GLU N . 19288 1 415 . 1 1 46 46 ILE H H 1 8.973 0.003 . 1 . . . A 46 ILE H . 19288 1 416 . 1 1 46 46 ILE HA H 1 3.840 0.009 . 1 . . . A 46 ILE HA . 19288 1 417 . 1 1 46 46 ILE HB H 1 1.113 0.009 . 1 . . . A 46 ILE HB . 19288 1 418 . 1 1 46 46 ILE HG12 H 1 1.257 0.008 . 2 . . . A 46 ILE HG12 . 19288 1 419 . 1 1 46 46 ILE HG13 H 1 0.921 0.015 . 2 . . . A 46 ILE HG13 . 19288 1 420 . 1 1 46 46 ILE HG21 H 1 0.275 0.013 . 1 . . . A 46 ILE HG21 . 19288 1 421 . 1 1 46 46 ILE HG22 H 1 0.275 0.013 . 1 . . . A 46 ILE HG22 . 19288 1 422 . 1 1 46 46 ILE HG23 H 1 0.275 0.013 . 1 . . . A 46 ILE HG23 . 19288 1 423 . 1 1 46 46 ILE HD11 H 1 0.486 0.006 . 1 . . . A 46 ILE HD11 . 19288 1 424 . 1 1 46 46 ILE HD12 H 1 0.486 0.006 . 1 . . . A 46 ILE HD12 . 19288 1 425 . 1 1 46 46 ILE HD13 H 1 0.486 0.006 . 1 . . . A 46 ILE HD13 . 19288 1 426 . 1 1 46 46 ILE C C 13 177.404 0.000 . 1 . . . A 46 ILE C . 19288 1 427 . 1 1 46 46 ILE CA C 13 63.494 0.112 . 1 . . . A 46 ILE CA . 19288 1 428 . 1 1 46 46 ILE CB C 13 38.461 0.110 . 1 . . . A 46 ILE CB . 19288 1 429 . 1 1 46 46 ILE CG1 C 13 28.109 0.077 . 1 . . . A 46 ILE CG1 . 19288 1 430 . 1 1 46 46 ILE CG2 C 13 16.876 0.099 . 1 . . . A 46 ILE CG2 . 19288 1 431 . 1 1 46 46 ILE CD1 C 13 12.345 0.087 . 1 . . . A 46 ILE CD1 . 19288 1 432 . 1 1 46 46 ILE N N 15 121.898 0.021 . 1 . . . A 46 ILE N . 19288 1 433 . 1 1 47 47 CYS H H 1 8.432 0.009 . 1 . . . A 47 CYS H . 19288 1 434 . 1 1 47 47 CYS HA H 1 5.231 0.007 . 1 . . . A 47 CYS HA . 19288 1 435 . 1 1 47 47 CYS HB2 H 1 3.495 0.011 . 2 . . . A 47 CYS HB2 . 19288 1 436 . 1 1 47 47 CYS HB3 H 1 2.716 0.021 . 2 . . . A 47 CYS HB3 . 19288 1 437 . 1 1 47 47 CYS C C 13 176.087 0.000 . 1 . . . A 47 CYS C . 19288 1 438 . 1 1 47 47 CYS CA C 13 58.455 0.095 . 1 . . . A 47 CYS CA . 19288 1 439 . 1 1 47 47 CYS CB C 13 33.590 0.086 . 1 . . . A 47 CYS CB . 19288 1 440 . 1 1 47 47 CYS N N 15 117.274 0.089 . 1 . . . A 47 CYS N . 19288 1 441 . 1 1 48 48 GLY H H 1 8.016 0.009 . 1 . . . A 48 GLY H . 19288 1 442 . 1 1 48 48 GLY HA2 H 1 3.745 0.014 . 1 . . . A 48 GLY HA2 . 19288 1 443 . 1 1 48 48 GLY HA3 H 1 4.269 0.011 . 1 . . . A 48 GLY HA3 . 19288 1 444 . 1 1 48 48 GLY C C 13 177.177 0.000 . 1 . . . A 48 GLY C . 19288 1 445 . 1 1 48 48 GLY CA C 13 46.253 0.097 . 1 . . . A 48 GLY CA . 19288 1 446 . 1 1 48 48 GLY N N 15 112.655 0.148 . 1 . . . A 48 GLY N . 19288 1 447 . 1 1 49 49 PHE H H 1 8.333 0.007 . 1 . . . A 49 PHE H . 19288 1 448 . 1 1 49 49 PHE HA H 1 4.272 0.022 . 1 . . . A 49 PHE HA . 19288 1 449 . 1 1 49 49 PHE HB2 H 1 3.048 0.009 . 2 . . . A 49 PHE HB2 . 19288 1 450 . 1 1 49 49 PHE HB3 H 1 1.997 0.031 . 2 . . . A 49 PHE HB3 . 19288 1 451 . 1 1 49 49 PHE HD1 H 1 6.647 0.007 . 1 . . . A 49 PHE HD1 . 19288 1 452 . 1 1 49 49 PHE HD2 H 1 6.647 0.007 . 1 . . . A 49 PHE HD2 . 19288 1 453 . 1 1 49 49 PHE C C 13 176.313 0.000 . 1 . . . A 49 PHE C . 19288 1 454 . 1 1 49 49 PHE CA C 13 59.750 0.084 . 1 . . . A 49 PHE CA . 19288 1 455 . 1 1 49 49 PHE CB C 13 41.278 0.154 . 1 . . . A 49 PHE CB . 19288 1 456 . 1 1 49 49 PHE CD2 C 13 131.094 0.023 . 1 . . . A 49 PHE CD2 . 19288 1 457 . 1 1 49 49 PHE N N 15 125.000 0.029 . 1 . . . A 49 PHE N . 19288 1 458 . 1 1 50 50 THR H H 1 7.336 0.013 . 1 . . . A 50 THR H . 19288 1 459 . 1 1 50 50 THR HA H 1 5.150 0.012 . 1 . . . A 50 THR HA . 19288 1 460 . 1 1 50 50 THR HB H 1 3.849 0.007 . 1 . . . A 50 THR HB . 19288 1 461 . 1 1 50 50 THR HG21 H 1 1.064 0.011 . 1 . . . A 50 THR HG21 . 19288 1 462 . 1 1 50 50 THR HG22 H 1 1.064 0.011 . 1 . . . A 50 THR HG22 . 19288 1 463 . 1 1 50 50 THR HG23 H 1 1.064 0.011 . 1 . . . A 50 THR HG23 . 19288 1 464 . 1 1 50 50 THR C C 13 173.480 0.000 . 1 . . . A 50 THR C . 19288 1 465 . 1 1 50 50 THR CA C 13 59.186 0.087 . 1 . . . A 50 THR CA . 19288 1 466 . 1 1 50 50 THR CB C 13 71.954 0.116 . 1 . . . A 50 THR CB . 19288 1 467 . 1 1 50 50 THR CG2 C 13 21.318 0.153 . 1 . . . A 50 THR CG2 . 19288 1 468 . 1 1 50 50 THR N N 15 118.297 0.064 . 1 . . . A 50 THR N . 19288 1 469 . 1 1 51 51 CYS H H 1 8.318 0.004 . 1 . . . A 51 CYS H . 19288 1 470 . 1 1 51 51 CYS HA H 1 4.540 0.005 . 1 . . . A 51 CYS HA . 19288 1 471 . 1 1 51 51 CYS HB2 H 1 2.983 0.002 . 2 . . . A 51 CYS HB2 . 19288 1 472 . 1 1 51 51 CYS HB3 H 1 2.983 0.002 . 2 . . . A 51 CYS HB3 . 19288 1 473 . 1 1 51 51 CYS C C 13 173.381 0.000 . 1 . . . A 51 CYS C . 19288 1 474 . 1 1 51 51 CYS CA C 13 56.305 0.011 . 1 . . . A 51 CYS CA . 19288 1 475 . 1 1 51 51 CYS CB C 13 30.578 0.194 . 1 . . . A 51 CYS CB . 19288 1 476 . 1 1 51 51 CYS N N 15 115.101 0.062 . 1 . . . A 51 CYS N . 19288 1 477 . 1 1 52 52 ARG HA H 1 4.566 0.007 . 1 . . . A 52 ARG HA . 19288 1 478 . 1 1 52 52 ARG HB2 H 1 1.972 0.006 . 2 . . . A 52 ARG HB2 . 19288 1 479 . 1 1 52 52 ARG HB3 H 1 1.729 0.007 . 2 . . . A 52 ARG HB3 . 19288 1 480 . 1 1 52 52 ARG HG2 H 1 1.592 0.021 . 2 . . . A 52 ARG HG2 . 19288 1 481 . 1 1 52 52 ARG HG3 H 1 1.592 0.021 . 2 . . . A 52 ARG HG3 . 19288 1 482 . 1 1 52 52 ARG HD2 H 1 3.128 0.010 . 2 . . . A 52 ARG HD2 . 19288 1 483 . 1 1 52 52 ARG HD3 H 1 3.128 0.010 . 2 . . . A 52 ARG HD3 . 19288 1 484 . 1 1 52 52 ARG C C 13 172.494 0.000 . 1 . . . A 52 ARG C . 19288 1 485 . 1 1 52 52 ARG CA C 13 56.923 0.103 . 1 . . . A 52 ARG CA . 19288 1 486 . 1 1 52 52 ARG CB C 13 31.891 0.044 . 1 . . . A 52 ARG CB . 19288 1 487 . 1 1 52 52 ARG CG C 13 27.828 0.047 . 1 . . . A 52 ARG CG . 19288 1 488 . 1 1 52 52 ARG CD C 13 43.260 0.156 . 1 . . . A 52 ARG CD . 19288 1 489 . 1 1 53 53 GLN H H 1 7.649 0.007 . 1 . . . A 53 GLN H . 19288 1 490 . 1 1 53 53 GLN HA H 1 4.719 0.019 . 1 . . . A 53 GLN HA . 19288 1 491 . 1 1 53 53 GLN HB2 H 1 2.150 0.000 . 2 . . . A 53 GLN HB2 . 19288 1 492 . 1 1 53 53 GLN HB3 H 1 2.150 0.000 . 2 . . . A 53 GLN HB3 . 19288 1 493 . 1 1 53 53 GLN HG2 H 1 2.404 0.006 . 2 . . . A 53 GLN HG2 . 19288 1 494 . 1 1 53 53 GLN HG3 H 1 2.404 0.006 . 2 . . . A 53 GLN HG3 . 19288 1 495 . 1 1 53 53 GLN HE21 H 1 7.522 0.000 . 2 . . . A 53 GLN HE21 . 19288 1 496 . 1 1 53 53 GLN HE22 H 1 6.913 0.003 . 2 . . . A 53 GLN HE22 . 19288 1 497 . 1 1 53 53 GLN CA C 13 54.637 0.111 . 1 . . . A 53 GLN CA . 19288 1 498 . 1 1 53 53 GLN CB C 13 30.904 0.141 . 1 . . . A 53 GLN CB . 19288 1 499 . 1 1 53 53 GLN CG C 13 33.834 0.060 . 1 . . . A 53 GLN CG . 19288 1 500 . 1 1 53 53 GLN N N 15 115.534 0.061 . 1 . . . A 53 GLN N . 19288 1 501 . 1 1 53 53 GLN NE2 N 15 111.718 0.050 . 1 . . . A 53 GLN NE2 . 19288 1 502 . 1 1 54 54 LYS H H 1 9.132 0.008 . 1 . . . A 54 LYS H . 19288 1 503 . 1 1 54 54 LYS HA H 1 3.771 0.006 . 1 . . . A 54 LYS HA . 19288 1 504 . 1 1 54 54 LYS HB2 H 1 1.858 0.012 . 2 . . . A 54 LYS HB2 . 19288 1 505 . 1 1 54 54 LYS HB3 H 1 1.858 0.012 . 2 . . . A 54 LYS HB3 . 19288 1 506 . 1 1 54 54 LYS HG2 H 1 1.491 0.006 . 2 . . . A 54 LYS HG2 . 19288 1 507 . 1 1 54 54 LYS HG3 H 1 1.491 0.006 . 2 . . . A 54 LYS HG3 . 19288 1 508 . 1 1 54 54 LYS HD2 H 1 1.721 0.012 . 2 . . . A 54 LYS HD2 . 19288 1 509 . 1 1 54 54 LYS HD3 H 1 1.721 0.012 . 2 . . . A 54 LYS HD3 . 19288 1 510 . 1 1 54 54 LYS HE2 H 1 3.021 0.018 . 2 . . . A 54 LYS HE2 . 19288 1 511 . 1 1 54 54 LYS HE3 H 1 3.021 0.018 . 2 . . . A 54 LYS HE3 . 19288 1 512 . 1 1 54 54 LYS C C 13 176.035 0.000 . 1 . . . A 54 LYS C . 19288 1 513 . 1 1 54 54 LYS CA C 13 59.833 0.098 . 1 . . . A 54 LYS CA . 19288 1 514 . 1 1 54 54 LYS CB C 13 32.087 0.114 . 1 . . . A 54 LYS CB . 19288 1 515 . 1 1 54 54 LYS CG C 13 25.037 0.021 . 1 . . . A 54 LYS CG . 19288 1 516 . 1 1 54 54 LYS CD C 13 29.137 0.041 . 1 . . . A 54 LYS CD . 19288 1 517 . 1 1 54 54 LYS CE C 13 42.175 0.072 . 1 . . . A 54 LYS CE . 19288 1 518 . 1 1 54 54 LYS N N 15 127.065 0.054 . 1 . . . A 54 LYS N . 19288 1 519 . 1 1 55 55 ALA H H 1 9.016 0.004 . 1 . . . A 55 ALA H . 19288 1 520 . 1 1 55 55 ALA HA H 1 4.135 0.011 . 1 . . . A 55 ALA HA . 19288 1 521 . 1 1 55 55 ALA HB1 H 1 1.392 0.005 . 1 . . . A 55 ALA HB1 . 19288 1 522 . 1 1 55 55 ALA HB2 H 1 1.392 0.005 . 1 . . . A 55 ALA HB2 . 19288 1 523 . 1 1 55 55 ALA HB3 H 1 1.392 0.005 . 1 . . . A 55 ALA HB3 . 19288 1 524 . 1 1 55 55 ALA C C 13 176.728 0.000 . 1 . . . A 55 ALA C . 19288 1 525 . 1 1 55 55 ALA CA C 13 55.456 0.027 . 1 . . . A 55 ALA CA . 19288 1 526 . 1 1 55 55 ALA CB C 13 18.224 0.014 . 1 . . . A 55 ALA CB . 19288 1 527 . 1 1 55 55 ALA N N 15 120.230 0.050 . 1 . . . A 55 ALA N . 19288 1 528 . 1 1 56 56 SER H H 1 7.097 0.013 . 1 . . . A 56 SER H . 19288 1 529 . 1 1 56 56 SER HA H 1 4.509 0.005 . 1 . . . A 56 SER HA . 19288 1 530 . 1 1 56 56 SER HB2 H 1 4.189 0.043 . 2 . . . A 56 SER HB2 . 19288 1 531 . 1 1 56 56 SER HB3 H 1 4.189 0.043 . 2 . . . A 56 SER HB3 . 19288 1 532 . 1 1 56 56 SER C C 13 178.309 0.000 . 1 . . . A 56 SER C . 19288 1 533 . 1 1 56 56 SER CA C 13 61.172 0.150 . 1 . . . A 56 SER CA . 19288 1 534 . 1 1 56 56 SER CB C 13 62.925 0.196 . 1 . . . A 56 SER CB . 19288 1 535 . 1 1 56 56 SER N N 15 112.225 0.151 . 1 . . . A 56 SER N . 19288 1 536 . 1 1 57 57 LEU H H 1 7.667 0.011 . 1 . . . A 57 LEU H . 19288 1 537 . 1 1 57 57 LEU HA H 1 4.327 0.008 . 1 . . . A 57 LEU HA . 19288 1 538 . 1 1 57 57 LEU HB2 H 1 2.083 0.009 . 2 . . . A 57 LEU HB2 . 19288 1 539 . 1 1 57 57 LEU HB3 H 1 1.312 0.011 . 2 . . . A 57 LEU HB3 . 19288 1 540 . 1 1 57 57 LEU HG H 1 1.755 0.021 . 1 . . . A 57 LEU HG . 19288 1 541 . 1 1 57 57 LEU HD11 H 1 0.954 0.007 . 2 . . . A 57 LEU HD11 . 19288 1 542 . 1 1 57 57 LEU HD12 H 1 0.954 0.007 . 2 . . . A 57 LEU HD12 . 19288 1 543 . 1 1 57 57 LEU HD13 H 1 0.954 0.007 . 2 . . . A 57 LEU HD13 . 19288 1 544 . 1 1 57 57 LEU HD21 H 1 0.944 0.011 . 2 . . . A 57 LEU HD21 . 19288 1 545 . 1 1 57 57 LEU HD22 H 1 0.944 0.011 . 2 . . . A 57 LEU HD22 . 19288 1 546 . 1 1 57 57 LEU HD23 H 1 0.944 0.011 . 2 . . . A 57 LEU HD23 . 19288 1 547 . 1 1 57 57 LEU C C 13 180.642 0.000 . 1 . . . A 57 LEU C . 19288 1 548 . 1 1 57 57 LEU CA C 13 58.038 0.092 . 1 . . . A 57 LEU CA . 19288 1 549 . 1 1 57 57 LEU CB C 13 41.443 0.097 . 1 . . . A 57 LEU CB . 19288 1 550 . 1 1 57 57 LEU CG C 13 27.172 0.090 . 1 . . . A 57 LEU CG . 19288 1 551 . 1 1 57 57 LEU CD1 C 13 26.520 0.087 . 1 . . . A 57 LEU CD1 . 19288 1 552 . 1 1 57 57 LEU CD2 C 13 22.703 0.045 . 1 . . . A 57 LEU CD2 . 19288 1 553 . 1 1 57 57 LEU N N 15 126.317 0.104 . 1 . . . A 57 LEU N . 19288 1 554 . 1 1 58 58 ASN H H 1 8.533 0.005 . 1 . . . A 58 ASN H . 19288 1 555 . 1 1 58 58 ASN HA H 1 4.364 0.016 . 1 . . . A 58 ASN HA . 19288 1 556 . 1 1 58 58 ASN HB2 H 1 2.826 0.012 . 2 . . . A 58 ASN HB2 . 19288 1 557 . 1 1 58 58 ASN HB3 H 1 2.826 0.012 . 2 . . . A 58 ASN HB3 . 19288 1 558 . 1 1 58 58 ASN HD21 H 1 7.564 0.001 . 2 . . . A 58 ASN HD21 . 19288 1 559 . 1 1 58 58 ASN HD22 H 1 6.829 0.001 . 2 . . . A 58 ASN HD22 . 19288 1 560 . 1 1 58 58 ASN C C 13 176.770 0.000 . 1 . . . A 58 ASN C . 19288 1 561 . 1 1 58 58 ASN CA C 13 56.457 0.174 . 1 . . . A 58 ASN CA . 19288 1 562 . 1 1 58 58 ASN CB C 13 37.852 0.071 . 1 . . . A 58 ASN CB . 19288 1 563 . 1 1 58 58 ASN N N 15 118.325 0.067 . 1 . . . A 58 ASN N . 19288 1 564 . 1 1 58 58 ASN ND2 N 15 110.513 0.053 . 1 . . . A 58 ASN ND2 . 19288 1 565 . 1 1 59 59 TRP H H 1 7.914 0.012 . 1 . . . A 59 TRP H . 19288 1 566 . 1 1 59 59 TRP HA H 1 4.349 0.012 . 1 . . . A 59 TRP HA . 19288 1 567 . 1 1 59 59 TRP HB2 H 1 3.399 0.007 . 2 . . . A 59 TRP HB2 . 19288 1 568 . 1 1 59 59 TRP HB3 H 1 3.399 0.007 . 2 . . . A 59 TRP HB3 . 19288 1 569 . 1 1 59 59 TRP HD1 H 1 7.276 0.031 . 1 . . . A 59 TRP HD1 . 19288 1 570 . 1 1 59 59 TRP HE1 H 1 10.084 0.004 . 1 . . . A 59 TRP HE1 . 19288 1 571 . 1 1 59 59 TRP HE3 H 1 7.691 0.002 . 1 . . . A 59 TRP HE3 . 19288 1 572 . 1 1 59 59 TRP HZ2 H 1 7.470 0.001 . 1 . . . A 59 TRP HZ2 . 19288 1 573 . 1 1 59 59 TRP HZ3 H 1 7.129 0.001 . 1 . . . A 59 TRP HZ3 . 19288 1 574 . 1 1 59 59 TRP HH2 H 1 7.206 0.000 . 1 . . . A 59 TRP HH2 . 19288 1 575 . 1 1 59 59 TRP C C 13 178.160 0.000 . 1 . . . A 59 TRP C . 19288 1 576 . 1 1 59 59 TRP CA C 13 60.432 0.102 . 1 . . . A 59 TRP CA . 19288 1 577 . 1 1 59 59 TRP CB C 13 29.304 0.114 . 1 . . . A 59 TRP CB . 19288 1 578 . 1 1 59 59 TRP CD1 C 13 126.900 0.018 . 1 . . . A 59 TRP CD1 . 19288 1 579 . 1 1 59 59 TRP CE3 C 13 120.458 0.018 . 1 . . . A 59 TRP CE3 . 19288 1 580 . 1 1 59 59 TRP CZ2 C 13 114.494 0.113 . 1 . . . A 59 TRP CZ2 . 19288 1 581 . 1 1 59 59 TRP CZ3 C 13 121.487 0.000 . 1 . . . A 59 TRP CZ3 . 19288 1 582 . 1 1 59 59 TRP CH2 C 13 124.141 0.000 . 1 . . . A 59 TRP CH2 . 19288 1 583 . 1 1 59 59 TRP N N 15 119.802 0.039 . 1 . . . A 59 TRP N . 19288 1 584 . 1 1 59 59 TRP NE1 N 15 129.150 0.000 . 1 . . . A 59 TRP NE1 . 19288 1 585 . 1 1 60 60 HIS H H 1 8.131 0.012 . 1 . . . A 60 HIS H . 19288 1 586 . 1 1 60 60 HIS HA H 1 3.675 0.012 . 1 . . . A 60 HIS HA . 19288 1 587 . 1 1 60 60 HIS HB2 H 1 3.451 0.028 . 2 . . . A 60 HIS HB2 . 19288 1 588 . 1 1 60 60 HIS HB3 H 1 2.785 0.057 . 2 . . . A 60 HIS HB3 . 19288 1 589 . 1 1 60 60 HIS HD2 H 1 7.071 0.003 . 1 . . . A 60 HIS HD2 . 19288 1 590 . 1 1 60 60 HIS C C 13 174.721 0.000 . 1 . . . A 60 HIS C . 19288 1 591 . 1 1 60 60 HIS CA C 13 60.038 0.101 . 1 . . . A 60 HIS CA . 19288 1 592 . 1 1 60 60 HIS CB C 13 28.143 0.049 . 1 . . . A 60 HIS CB . 19288 1 593 . 1 1 60 60 HIS CD2 C 13 126.438 0.040 . 1 . . . A 60 HIS CD2 . 19288 1 594 . 1 1 60 60 HIS N N 15 119.175 0.036 . 1 . . . A 60 HIS N . 19288 1 595 . 1 1 61 61 MET H H 1 8.448 0.005 . 1 . . . A 61 MET H . 19288 1 596 . 1 1 61 61 MET HA H 1 4.127 0.016 . 1 . . . A 61 MET HA . 19288 1 597 . 1 1 61 61 MET HB2 H 1 2.219 0.012 . 2 . . . A 61 MET HB2 . 19288 1 598 . 1 1 61 61 MET HB3 H 1 2.219 0.012 . 2 . . . A 61 MET HB3 . 19288 1 599 . 1 1 61 61 MET HG2 H 1 3.042 0.004 . 2 . . . A 61 MET HG2 . 19288 1 600 . 1 1 61 61 MET HG3 H 1 3.042 0.004 . 2 . . . A 61 MET HG3 . 19288 1 601 . 1 1 61 61 MET C C 13 178.337 0.000 . 1 . . . A 61 MET C . 19288 1 602 . 1 1 61 61 MET CA C 13 57.177 0.077 . 1 . . . A 61 MET CA . 19288 1 603 . 1 1 61 61 MET CB C 13 30.085 0.056 . 1 . . . A 61 MET CB . 19288 1 604 . 1 1 61 61 MET CG C 13 31.699 0.043 . 1 . . . A 61 MET CG . 19288 1 605 . 1 1 61 61 MET N N 15 114.602 0.093 . 1 . . . A 61 MET N . 19288 1 606 . 1 1 62 62 LYS H H 1 7.285 0.021 . 1 . . . A 62 LYS H . 19288 1 607 . 1 1 62 62 LYS HA H 1 3.998 0.002 . 1 . . . A 62 LYS HA . 19288 1 608 . 1 1 62 62 LYS HB2 H 1 1.302 0.000 . 2 . . . A 62 LYS HB2 . 19288 1 609 . 1 1 62 62 LYS HB3 H 1 1.302 0.000 . 2 . . . A 62 LYS HB3 . 19288 1 610 . 1 1 62 62 LYS HG2 H 1 1.482 0.002 . 2 . . . A 62 LYS HG2 . 19288 1 611 . 1 1 62 62 LYS HG3 H 1 1.482 0.002 . 2 . . . A 62 LYS HG3 . 19288 1 612 . 1 1 62 62 LYS HD2 H 1 1.474 0.004 . 2 . . . A 62 LYS HD2 . 19288 1 613 . 1 1 62 62 LYS HD3 H 1 1.474 0.004 . 2 . . . A 62 LYS HD3 . 19288 1 614 . 1 1 62 62 LYS HE2 H 1 2.785 0.011 . 2 . . . A 62 LYS HE2 . 19288 1 615 . 1 1 62 62 LYS HE3 H 1 2.785 0.011 . 2 . . . A 62 LYS HE3 . 19288 1 616 . 1 1 62 62 LYS C C 13 176.716 0.000 . 1 . . . A 62 LYS C . 19288 1 617 . 1 1 62 62 LYS CA C 13 58.512 0.131 . 1 . . . A 62 LYS CA . 19288 1 618 . 1 1 62 62 LYS CB C 13 31.694 0.056 . 1 . . . A 62 LYS CB . 19288 1 619 . 1 1 62 62 LYS CG C 13 24.801 0.034 . 1 . . . A 62 LYS CG . 19288 1 620 . 1 1 62 62 LYS CD C 13 28.699 0.107 . 1 . . . A 62 LYS CD . 19288 1 621 . 1 1 62 62 LYS CE C 13 42.190 0.004 . 1 . . . A 62 LYS CE . 19288 1 622 . 1 1 62 62 LYS N N 15 118.858 0.083 . 1 . . . A 62 LYS N . 19288 1 623 . 1 1 63 63 LYS H H 1 7.516 0.011 . 1 . . . A 63 LYS H . 19288 1 624 . 1 1 63 63 LYS HA H 1 3.793 0.006 . 1 . . . A 63 LYS HA . 19288 1 625 . 1 1 63 63 LYS HB2 H 1 1.210 0.008 . 2 . . . A 63 LYS HB2 . 19288 1 626 . 1 1 63 63 LYS HB3 H 1 1.210 0.008 . 2 . . . A 63 LYS HB3 . 19288 1 627 . 1 1 63 63 LYS HG2 H 1 0.928 0.008 . 2 . . . A 63 LYS HG2 . 19288 1 628 . 1 1 63 63 LYS HG3 H 1 0.928 0.008 . 2 . . . A 63 LYS HG3 . 19288 1 629 . 1 1 63 63 LYS HD2 H 1 1.221 0.006 . 2 . . . A 63 LYS HD2 . 19288 1 630 . 1 1 63 63 LYS HD3 H 1 1.221 0.006 . 2 . . . A 63 LYS HD3 . 19288 1 631 . 1 1 63 63 LYS HE2 H 1 2.664 0.006 . 2 . . . A 63 LYS HE2 . 19288 1 632 . 1 1 63 63 LYS HE3 H 1 2.664 0.006 . 2 . . . A 63 LYS HE3 . 19288 1 633 . 1 1 63 63 LYS C C 13 179.150 0.000 . 1 . . . A 63 LYS C . 19288 1 634 . 1 1 63 63 LYS CA C 13 57.827 0.081 . 1 . . . A 63 LYS CA . 19288 1 635 . 1 1 63 63 LYS CB C 13 31.272 0.069 . 1 . . . A 63 LYS CB . 19288 1 636 . 1 1 63 63 LYS CG C 13 24.393 0.054 . 1 . . . A 63 LYS CG . 19288 1 637 . 1 1 63 63 LYS CD C 13 29.006 0.055 . 1 . . . A 63 LYS CD . 19288 1 638 . 1 1 63 63 LYS CE C 13 41.945 0.124 . 1 . . . A 63 LYS CE . 19288 1 639 . 1 1 63 63 LYS N N 15 117.683 0.041 . 1 . . . A 63 LYS N . 19288 1 640 . 1 1 64 64 HIS H H 1 7.155 0.020 . 1 . . . A 64 HIS H . 19288 1 641 . 1 1 64 64 HIS HA H 1 4.708 0.015 . 1 . . . A 64 HIS HA . 19288 1 642 . 1 1 64 64 HIS HB2 H 1 3.152 0.027 . 2 . . . A 64 HIS HB2 . 19288 1 643 . 1 1 64 64 HIS HB3 H 1 3.152 0.027 . 2 . . . A 64 HIS HB3 . 19288 1 644 . 1 1 64 64 HIS HD2 H 1 6.844 0.004 . 1 . . . A 64 HIS HD2 . 19288 1 645 . 1 1 64 64 HIS C C 13 178.727 0.000 . 1 . . . A 64 HIS C . 19288 1 646 . 1 1 64 64 HIS CA C 13 55.628 0.231 . 1 . . . A 64 HIS CA . 19288 1 647 . 1 1 64 64 HIS CB C 13 28.782 0.081 . 1 . . . A 64 HIS CB . 19288 1 648 . 1 1 64 64 HIS CD2 C 13 127.313 0.009 . 1 . . . A 64 HIS CD2 . 19288 1 649 . 1 1 64 64 HIS N N 15 115.200 0.111 . 1 . . . A 64 HIS N . 19288 1 650 . 1 1 65 65 ASP H H 1 7.653 0.010 . 1 . . . A 65 ASP H . 19288 1 651 . 1 1 65 65 ASP HA H 1 4.503 0.004 . 1 . . . A 65 ASP HA . 19288 1 652 . 1 1 65 65 ASP HB2 H 1 2.668 0.010 . 2 . . . A 65 ASP HB2 . 19288 1 653 . 1 1 65 65 ASP HB3 H 1 2.668 0.010 . 2 . . . A 65 ASP HB3 . 19288 1 654 . 1 1 65 65 ASP C C 13 177.648 0.000 . 1 . . . A 65 ASP C . 19288 1 655 . 1 1 65 65 ASP CA C 13 55.296 0.084 . 1 . . . A 65 ASP CA . 19288 1 656 . 1 1 65 65 ASP CB C 13 41.122 0.108 . 1 . . . A 65 ASP CB . 19288 1 657 . 1 1 65 65 ASP N N 15 120.441 0.062 . 1 . . . A 65 ASP N . 19288 1 658 . 1 1 66 66 ALA H H 1 8.088 0.008 . 1 . . . A 66 ALA H . 19288 1 659 . 1 1 66 66 ALA HA H 1 4.141 0.003 . 1 . . . A 66 ALA HA . 19288 1 660 . 1 1 66 66 ALA HB1 H 1 1.351 0.010 . 1 . . . A 66 ALA HB1 . 19288 1 661 . 1 1 66 66 ALA HB2 H 1 1.351 0.010 . 1 . . . A 66 ALA HB2 . 19288 1 662 . 1 1 66 66 ALA HB3 H 1 1.351 0.010 . 1 . . . A 66 ALA HB3 . 19288 1 663 . 1 1 66 66 ALA C C 13 175.172 0.000 . 1 . . . A 66 ALA C . 19288 1 664 . 1 1 66 66 ALA CA C 13 53.693 0.148 . 1 . . . A 66 ALA CA . 19288 1 665 . 1 1 66 66 ALA CB C 13 19.049 0.109 . 1 . . . A 66 ALA CB . 19288 1 666 . 1 1 66 66 ALA N N 15 123.184 0.093 . 1 . . . A 66 ALA N . 19288 1 667 . 1 1 67 67 ASP H H 1 7.999 0.011 . 1 . . . A 67 ASP H . 19288 1 668 . 1 1 67 67 ASP HA H 1 4.175 0.008 . 1 . . . A 67 ASP HA . 19288 1 669 . 1 1 67 67 ASP HB2 H 1 2.561 0.005 . 2 . . . A 67 ASP HB2 . 19288 1 670 . 1 1 67 67 ASP HB3 H 1 2.561 0.005 . 2 . . . A 67 ASP HB3 . 19288 1 671 . 1 1 67 67 ASP C C 13 176.687 0.000 . 1 . . . A 67 ASP C . 19288 1 672 . 1 1 67 67 ASP CA C 13 54.842 0.104 . 1 . . . A 67 ASP CA . 19288 1 673 . 1 1 67 67 ASP CB C 13 40.957 0.088 . 1 . . . A 67 ASP CB . 19288 1 674 . 1 1 67 67 ASP N N 15 117.608 0.047 . 1 . . . A 67 ASP N . 19288 1 675 . 1 1 68 68 SER H H 1 7.797 0.006 . 1 . . . A 68 SER H . 19288 1 676 . 1 1 68 68 SER HA H 1 4.145 0.006 . 1 . . . A 68 SER HA . 19288 1 677 . 1 1 68 68 SER HB2 H 1 3.631 0.006 . 2 . . . A 68 SER HB2 . 19288 1 678 . 1 1 68 68 SER HB3 H 1 3.631 0.006 . 2 . . . A 68 SER HB3 . 19288 1 679 . 1 1 68 68 SER C C 13 178.056 0.000 . 1 . . . A 68 SER C . 19288 1 680 . 1 1 68 68 SER CA C 13 59.397 0.073 . 1 . . . A 68 SER CA . 19288 1 681 . 1 1 68 68 SER CB C 13 63.682 0.162 . 1 . . . A 68 SER CB . 19288 1 682 . 1 1 68 68 SER N N 15 114.794 0.094 . 1 . . . A 68 SER N . 19288 1 683 . 1 1 69 69 PHE H H 1 7.850 0.004 . 1 . . . A 69 PHE H . 19288 1 684 . 1 1 69 69 PHE HA H 1 4.474 0.007 . 1 . . . A 69 PHE HA . 19288 1 685 . 1 1 69 69 PHE HB2 H 1 2.957 0.012 . 2 . . . A 69 PHE HB2 . 19288 1 686 . 1 1 69 69 PHE HB3 H 1 2.957 0.012 . 2 . . . A 69 PHE HB3 . 19288 1 687 . 1 1 69 69 PHE HD1 H 1 7.053 0.001 . 1 . . . A 69 PHE HD1 . 19288 1 688 . 1 1 69 69 PHE HD2 H 1 7.053 0.001 . 1 . . . A 69 PHE HD2 . 19288 1 689 . 1 1 69 69 PHE HE1 H 1 7.223 0.002 . 1 . . . A 69 PHE HE1 . 19288 1 690 . 1 1 69 69 PHE HE2 H 1 7.223 0.002 . 1 . . . A 69 PHE HE2 . 19288 1 691 . 1 1 69 69 PHE C C 13 176.959 0.000 . 1 . . . A 69 PHE C . 19288 1 692 . 1 1 69 69 PHE CA C 13 58.048 0.077 . 1 . . . A 69 PHE CA . 19288 1 693 . 1 1 69 69 PHE CB C 13 39.353 0.092 . 1 . . . A 69 PHE CB . 19288 1 694 . 1 1 69 69 PHE CD1 C 13 131.284 0.010 . 1 . . . A 69 PHE CD1 . 19288 1 695 . 1 1 69 69 PHE CE1 C 13 131.010 0.033 . 1 . . . A 69 PHE CE1 . 19288 1 696 . 1 1 69 69 PHE N N 15 120.277 0.043 . 1 . . . A 69 PHE N . 19288 1 697 . 1 1 70 70 TYR H H 1 7.818 0.004 . 1 . . . A 70 TYR H . 19288 1 698 . 1 1 70 70 TYR HA H 1 4.494 0.082 . 1 . . . A 70 TYR HA . 19288 1 699 . 1 1 70 70 TYR HB2 H 1 2.896 0.023 . 2 . . . A 70 TYR HB2 . 19288 1 700 . 1 1 70 70 TYR HB3 H 1 2.896 0.023 . 2 . . . A 70 TYR HB3 . 19288 1 701 . 1 1 70 70 TYR HD1 H 1 6.843 0.001 . 1 . . . A 70 TYR HD1 . 19288 1 702 . 1 1 70 70 TYR HD2 H 1 6.843 0.001 . 1 . . . A 70 TYR HD2 . 19288 1 703 . 1 1 70 70 TYR HE1 H 1 6.743 0.000 . 1 . . . A 70 TYR HE1 . 19288 1 704 . 1 1 70 70 TYR HE2 H 1 6.743 0.000 . 1 . . . A 70 TYR HE2 . 19288 1 705 . 1 1 70 70 TYR C C 13 174.330 0.000 . 1 . . . A 70 TYR C . 19288 1 706 . 1 1 70 70 TYR CA C 13 56.491 0.051 . 1 . . . A 70 TYR CA . 19288 1 707 . 1 1 70 70 TYR CB C 13 37.727 0.102 . 1 . . . A 70 TYR CB . 19288 1 708 . 1 1 70 70 TYR CD2 C 13 131.584 0.012 . 1 . . . A 70 TYR CD2 . 19288 1 709 . 1 1 70 70 TYR CE2 C 13 117.968 0.021 . 1 . . . A 70 TYR CE2 . 19288 1 710 . 1 1 70 70 TYR N N 15 121.023 0.049 . 1 . . . A 70 TYR N . 19288 1 711 . 1 1 71 71 GLN H H 1 8.352 0.006 . 1 . . . A 71 GLN H . 19288 1 712 . 1 1 71 71 GLN HA H 1 4.085 0.006 . 1 . . . A 71 GLN HA . 19288 1 713 . 1 1 71 71 GLN HB2 H 1 1.585 0.001 . 2 . . . A 71 GLN HB2 . 19288 1 714 . 1 1 71 71 GLN HB3 H 1 1.585 0.001 . 2 . . . A 71 GLN HB3 . 19288 1 715 . 1 1 71 71 GLN HG2 H 1 2.010 0.006 . 2 . . . A 71 GLN HG2 . 19288 1 716 . 1 1 71 71 GLN HG3 H 1 2.010 0.006 . 2 . . . A 71 GLN HG3 . 19288 1 717 . 1 1 71 71 GLN HE21 H 1 7.387 0.000 . 2 . . . A 71 GLN HE21 . 19288 1 718 . 1 1 71 71 GLN HE22 H 1 6.800 0.001 . 2 . . . A 71 GLN HE22 . 19288 1 719 . 1 1 71 71 GLN C C 13 175.830 0.000 . 1 . . . A 71 GLN C . 19288 1 720 . 1 1 71 71 GLN CA C 13 56.485 0.079 . 1 . . . A 71 GLN CA . 19288 1 721 . 1 1 71 71 GLN CB C 13 30.291 0.103 . 1 . . . A 71 GLN CB . 19288 1 722 . 1 1 71 71 GLN CG C 13 34.077 0.078 . 1 . . . A 71 GLN CG . 19288 1 723 . 1 1 71 71 GLN N N 15 119.046 0.101 . 1 . . . A 71 GLN N . 19288 1 724 . 1 1 71 71 GLN NE2 N 15 112.054 0.030 . 1 . . . A 71 GLN NE2 . 19288 1 725 . 1 1 72 72 PHE H H 1 7.901 0.009 . 1 . . . A 72 PHE H . 19288 1 726 . 1 1 72 72 PHE HA H 1 4.850 0.003 . 1 . . . A 72 PHE HA . 19288 1 727 . 1 1 72 72 PHE HB2 H 1 3.124 0.010 . 2 . . . A 72 PHE HB2 . 19288 1 728 . 1 1 72 72 PHE HB3 H 1 2.657 0.011 . 2 . . . A 72 PHE HB3 . 19288 1 729 . 1 1 72 72 PHE HD1 H 1 7.126 0.005 . 1 . . . A 72 PHE HD1 . 19288 1 730 . 1 1 72 72 PHE HD2 H 1 7.126 0.005 . 1 . . . A 72 PHE HD2 . 19288 1 731 . 1 1 72 72 PHE HE1 H 1 7.403 0.006 . 1 . . . A 72 PHE HE1 . 19288 1 732 . 1 1 72 72 PHE HE2 H 1 7.403 0.006 . 1 . . . A 72 PHE HE2 . 19288 1 733 . 1 1 72 72 PHE C C 13 176.323 0.000 . 1 . . . A 72 PHE C . 19288 1 734 . 1 1 72 72 PHE CA C 13 57.157 0.111 . 1 . . . A 72 PHE CA . 19288 1 735 . 1 1 72 72 PHE CB C 13 41.106 0.101 . 1 . . . A 72 PHE CB . 19288 1 736 . 1 1 72 72 PHE CD2 C 13 131.484 0.030 . 1 . . . A 72 PHE CD2 . 19288 1 737 . 1 1 72 72 PHE CE2 C 13 131.281 0.035 . 1 . . . A 72 PHE CE2 . 19288 1 738 . 1 1 72 72 PHE N N 15 117.779 0.065 . 1 . . . A 72 PHE N . 19288 1 739 . 1 1 73 73 SER H H 1 8.744 0.007 . 1 . . . A 73 SER H . 19288 1 740 . 1 1 73 73 SER HA H 1 5.469 0.006 . 1 . . . A 73 SER HA . 19288 1 741 . 1 1 73 73 SER HB2 H 1 3.587 0.006 . 2 . . . A 73 SER HB2 . 19288 1 742 . 1 1 73 73 SER HB3 H 1 3.587 0.006 . 2 . . . A 73 SER HB3 . 19288 1 743 . 1 1 73 73 SER C C 13 175.151 0.000 . 1 . . . A 73 SER C . 19288 1 744 . 1 1 73 73 SER CA C 13 57.026 0.105 . 1 . . . A 73 SER CA . 19288 1 745 . 1 1 73 73 SER CB C 13 65.963 0.142 . 1 . . . A 73 SER CB . 19288 1 746 . 1 1 73 73 SER N N 15 114.707 0.103 . 1 . . . A 73 SER N . 19288 1 747 . 1 1 74 74 CYS H H 1 9.154 0.014 . 1 . . . A 74 CYS H . 19288 1 748 . 1 1 74 74 CYS HA H 1 4.391 0.004 . 1 . . . A 74 CYS HA . 19288 1 749 . 1 1 74 74 CYS HB2 H 1 2.844 0.007 . 1 . . . A 74 CYS HB2 . 19288 1 750 . 1 1 74 74 CYS HB3 H 1 3.370 0.010 . 1 . . . A 74 CYS HB3 . 19288 1 751 . 1 1 74 74 CYS C C 13 174.848 0.000 . 1 . . . A 74 CYS C . 19288 1 752 . 1 1 74 74 CYS CA C 13 59.743 0.077 . 1 . . . A 74 CYS CA . 19288 1 753 . 1 1 74 74 CYS CB C 13 30.581 0.056 . 1 . . . A 74 CYS CB . 19288 1 754 . 1 1 74 74 CYS N N 15 124.143 0.068 . 1 . . . A 74 CYS N . 19288 1 755 . 1 1 75 75 ASN HA H 1 4.501 0.002 . 1 . . . A 75 ASN HA . 19288 1 756 . 1 1 75 75 ASN HB2 H 1 2.919 0.009 . 2 . . . A 75 ASN HB2 . 19288 1 757 . 1 1 75 75 ASN HB3 H 1 2.919 0.009 . 2 . . . A 75 ASN HB3 . 19288 1 758 . 1 1 75 75 ASN HD21 H 1 7.619 0.001 . 2 . . . A 75 ASN HD21 . 19288 1 759 . 1 1 75 75 ASN HD22 H 1 6.956 0.004 . 2 . . . A 75 ASN HD22 . 19288 1 760 . 1 1 75 75 ASN C C 13 173.664 0.000 . 1 . . . A 75 ASN C . 19288 1 761 . 1 1 75 75 ASN CA C 13 55.316 0.070 . 1 . . . A 75 ASN CA . 19288 1 762 . 1 1 75 75 ASN CB C 13 36.774 0.075 . 1 . . . A 75 ASN CB . 19288 1 763 . 1 1 75 75 ASN ND2 N 15 113.321 0.057 . 1 . . . A 75 ASN ND2 . 19288 1 764 . 1 1 76 76 ILE H H 1 8.921 0.008 . 1 . . . A 76 ILE H . 19288 1 765 . 1 1 76 76 ILE HA H 1 3.908 0.004 . 1 . . . A 76 ILE HA . 19288 1 766 . 1 1 76 76 ILE HB H 1 1.034 0.014 . 1 . . . A 76 ILE HB . 19288 1 767 . 1 1 76 76 ILE HG12 H 1 1.296 0.009 . 2 . . . A 76 ILE HG12 . 19288 1 768 . 1 1 76 76 ILE HG13 H 1 1.029 0.007 . 2 . . . A 76 ILE HG13 . 19288 1 769 . 1 1 76 76 ILE HG21 H 1 0.316 0.014 . 1 . . . A 76 ILE HG21 . 19288 1 770 . 1 1 76 76 ILE HG22 H 1 0.316 0.014 . 1 . . . A 76 ILE HG22 . 19288 1 771 . 1 1 76 76 ILE HG23 H 1 0.316 0.014 . 1 . . . A 76 ILE HG23 . 19288 1 772 . 1 1 76 76 ILE HD11 H 1 0.618 0.013 . 1 . . . A 76 ILE HD11 . 19288 1 773 . 1 1 76 76 ILE HD12 H 1 0.618 0.013 . 1 . . . A 76 ILE HD12 . 19288 1 774 . 1 1 76 76 ILE HD13 H 1 0.618 0.013 . 1 . . . A 76 ILE HD13 . 19288 1 775 . 1 1 76 76 ILE CA C 13 63.223 0.103 . 1 . . . A 76 ILE CA . 19288 1 776 . 1 1 76 76 ILE CB C 13 38.269 0.099 . 1 . . . A 76 ILE CB . 19288 1 777 . 1 1 76 76 ILE CG1 C 13 27.593 0.111 . 1 . . . A 76 ILE CG1 . 19288 1 778 . 1 1 76 76 ILE CG2 C 13 16.700 0.084 . 1 . . . A 76 ILE CG2 . 19288 1 779 . 1 1 76 76 ILE CD1 C 13 12.363 0.043 . 1 . . . A 76 ILE CD1 . 19288 1 780 . 1 1 76 76 ILE N N 15 123.143 0.088 . 1 . . . A 76 ILE N . 19288 1 781 . 1 1 77 77 CYS H H 1 8.243 0.013 . 1 . . . A 77 CYS H . 19288 1 782 . 1 1 77 77 CYS HA H 1 5.159 0.004 . 1 . . . A 77 CYS HA . 19288 1 783 . 1 1 77 77 CYS HB2 H 1 3.489 0.006 . 2 . . . A 77 CYS HB2 . 19288 1 784 . 1 1 77 77 CYS HB3 H 1 2.902 0.007 . 2 . . . A 77 CYS HB3 . 19288 1 785 . 1 1 77 77 CYS C C 13 174.401 0.000 . 1 . . . A 77 CYS C . 19288 1 786 . 1 1 77 77 CYS CA C 13 58.394 0.149 . 1 . . . A 77 CYS CA . 19288 1 787 . 1 1 77 77 CYS CB C 13 32.743 0.069 . 1 . . . A 77 CYS CB . 19288 1 788 . 1 1 77 77 CYS N N 15 116.298 0.095 . 1 . . . A 77 CYS N . 19288 1 789 . 1 1 78 78 GLY H H 1 8.060 0.025 . 1 . . . A 78 GLY H . 19288 1 790 . 1 1 78 78 GLY HA2 H 1 3.869 0.005 . 1 . . . A 78 GLY HA2 . 19288 1 791 . 1 1 78 78 GLY HA3 H 1 4.216 0.007 . 1 . . . A 78 GLY HA3 . 19288 1 792 . 1 1 78 78 GLY C C 13 176.862 0.000 . 1 . . . A 78 GLY C . 19288 1 793 . 1 1 78 78 GLY CA C 13 46.321 0.081 . 1 . . . A 78 GLY CA . 19288 1 794 . 1 1 78 78 GLY N N 15 113.607 0.118 . 1 . . . A 78 GLY N . 19288 1 795 . 1 1 79 79 LYS H H 1 7.977 0.006 . 1 . . . A 79 LYS H . 19288 1 796 . 1 1 79 79 LYS HA H 1 3.950 0.006 . 1 . . . A 79 LYS HA . 19288 1 797 . 1 1 79 79 LYS HB2 H 1 1.565 0.010 . 2 . . . A 79 LYS HB2 . 19288 1 798 . 1 1 79 79 LYS HB3 H 1 1.201 0.016 . 2 . . . A 79 LYS HB3 . 19288 1 799 . 1 1 79 79 LYS HG2 H 1 1.335 0.018 . 2 . . . A 79 LYS HG2 . 19288 1 800 . 1 1 79 79 LYS HG3 H 1 0.927 0.010 . 2 . . . A 79 LYS HG3 . 19288 1 801 . 1 1 79 79 LYS HD2 H 1 1.450 0.000 . 2 . . . A 79 LYS HD2 . 19288 1 802 . 1 1 79 79 LYS HD3 H 1 1.450 0.000 . 2 . . . A 79 LYS HD3 . 19288 1 803 . 1 1 79 79 LYS HE2 H 1 2.818 0.031 . 2 . . . A 79 LYS HE2 . 19288 1 804 . 1 1 79 79 LYS HE3 H 1 2.818 0.031 . 2 . . . A 79 LYS HE3 . 19288 1 805 . 1 1 79 79 LYS C C 13 176.484 0.000 . 1 . . . A 79 LYS C . 19288 1 806 . 1 1 79 79 LYS CA C 13 58.342 0.072 . 1 . . . A 79 LYS CA . 19288 1 807 . 1 1 79 79 LYS CB C 13 33.770 0.070 . 1 . . . A 79 LYS CB . 19288 1 808 . 1 1 79 79 LYS CG C 13 25.982 0.080 . 1 . . . A 79 LYS CG . 19288 1 809 . 1 1 79 79 LYS CD C 13 29.393 0.138 . 1 . . . A 79 LYS CD . 19288 1 810 . 1 1 79 79 LYS CE C 13 42.287 0.177 . 1 . . . A 79 LYS CE . 19288 1 811 . 1 1 79 79 LYS N N 15 123.134 0.104 . 1 . . . A 79 LYS N . 19288 1 812 . 1 1 80 80 LYS H H 1 7.918 0.009 . 1 . . . A 80 LYS H . 19288 1 813 . 1 1 80 80 LYS HA H 1 4.884 0.010 . 1 . . . A 80 LYS HA . 19288 1 814 . 1 1 80 80 LYS HB2 H 1 1.576 0.003 . 2 . . . A 80 LYS HB2 . 19288 1 815 . 1 1 80 80 LYS HB3 H 1 1.576 0.003 . 2 . . . A 80 LYS HB3 . 19288 1 816 . 1 1 80 80 LYS HG2 H 1 1.221 0.000 . 2 . . . A 80 LYS HG2 . 19288 1 817 . 1 1 80 80 LYS HG3 H 1 1.221 0.000 . 2 . . . A 80 LYS HG3 . 19288 1 818 . 1 1 80 80 LYS HD2 H 1 1.505 0.018 . 2 . . . A 80 LYS HD2 . 19288 1 819 . 1 1 80 80 LYS HD3 H 1 1.505 0.018 . 2 . . . A 80 LYS HD3 . 19288 1 820 . 1 1 80 80 LYS HE2 H 1 2.864 0.004 . 2 . . . A 80 LYS HE2 . 19288 1 821 . 1 1 80 80 LYS HE3 H 1 2.864 0.004 . 2 . . . A 80 LYS HE3 . 19288 1 822 . 1 1 80 80 LYS C C 13 173.961 0.000 . 1 . . . A 80 LYS C . 19288 1 823 . 1 1 80 80 LYS CA C 13 55.524 0.117 . 1 . . . A 80 LYS CA . 19288 1 824 . 1 1 80 80 LYS CB C 13 35.024 0.064 . 1 . . . A 80 LYS CB . 19288 1 825 . 1 1 80 80 LYS CG C 13 25.289 0.098 . 1 . . . A 80 LYS CG . 19288 1 826 . 1 1 80 80 LYS CD C 13 29.121 0.072 . 1 . . . A 80 LYS CD . 19288 1 827 . 1 1 80 80 LYS CE C 13 42.340 0.097 . 1 . . . A 80 LYS CE . 19288 1 828 . 1 1 80 80 LYS N N 15 121.440 0.063 . 1 . . . A 80 LYS N . 19288 1 829 . 1 1 81 81 PHE H H 1 8.725 0.007 . 1 . . . A 81 PHE H . 19288 1 830 . 1 1 81 81 PHE HA H 1 4.598 0.023 . 1 . . . A 81 PHE HA . 19288 1 831 . 1 1 81 81 PHE HB2 H 1 3.197 0.008 . 2 . . . A 81 PHE HB2 . 19288 1 832 . 1 1 81 81 PHE HB3 H 1 2.435 0.011 . 2 . . . A 81 PHE HB3 . 19288 1 833 . 1 1 81 81 PHE HD1 H 1 7.081 0.030 . 1 . . . A 81 PHE HD1 . 19288 1 834 . 1 1 81 81 PHE HD2 H 1 7.081 0.030 . 1 . . . A 81 PHE HD2 . 19288 1 835 . 1 1 81 81 PHE HE1 H 1 6.795 0.003 . 1 . . . A 81 PHE HE1 . 19288 1 836 . 1 1 81 81 PHE HE2 H 1 6.795 0.003 . 1 . . . A 81 PHE HE2 . 19288 1 837 . 1 1 81 81 PHE C C 13 174.541 0.000 . 1 . . . A 81 PHE C . 19288 1 838 . 1 1 81 81 PHE CA C 13 57.359 0.105 . 1 . . . A 81 PHE CA . 19288 1 839 . 1 1 81 81 PHE CB C 13 44.738 0.100 . 1 . . . A 81 PHE CB . 19288 1 840 . 1 1 81 81 PHE CD2 C 13 132.259 0.018 . 1 . . . A 81 PHE CD2 . 19288 1 841 . 1 1 81 81 PHE CE2 C 13 129.902 0.074 . 1 . . . A 81 PHE CE2 . 19288 1 842 . 1 1 81 81 PHE N N 15 116.724 0.065 . 1 . . . A 81 PHE N . 19288 1 843 . 1 1 82 82 GLU H H 1 8.775 0.009 . 1 . . . A 82 GLU H . 19288 1 844 . 1 1 82 82 GLU HA H 1 4.155 0.018 . 1 . . . A 82 GLU HA . 19288 1 845 . 1 1 82 82 GLU HB2 H 1 1.682 0.005 . 2 . . . A 82 GLU HB2 . 19288 1 846 . 1 1 82 82 GLU HB3 H 1 1.682 0.005 . 2 . . . A 82 GLU HB3 . 19288 1 847 . 1 1 82 82 GLU HG2 H 1 2.165 0.006 . 2 . . . A 82 GLU HG2 . 19288 1 848 . 1 1 82 82 GLU HG3 H 1 2.165 0.006 . 2 . . . A 82 GLU HG3 . 19288 1 849 . 1 1 82 82 GLU C C 13 175.832 0.000 . 1 . . . A 82 GLU C . 19288 1 850 . 1 1 82 82 GLU CA C 13 57.900 0.119 . 1 . . . A 82 GLU CA . 19288 1 851 . 1 1 82 82 GLU CB C 13 30.829 0.144 . 1 . . . A 82 GLU CB . 19288 1 852 . 1 1 82 82 GLU CG C 13 36.633 0.032 . 1 . . . A 82 GLU CG . 19288 1 853 . 1 1 82 82 GLU N N 15 120.474 0.066 . 1 . . . A 82 GLU N . 19288 1 854 . 1 1 83 83 LYS H H 1 7.547 0.010 . 1 . . . A 83 LYS H . 19288 1 855 . 1 1 83 83 LYS HA H 1 4.607 0.021 . 1 . . . A 83 LYS HA . 19288 1 856 . 1 1 83 83 LYS HB2 H 1 1.884 0.018 . 2 . . . A 83 LYS HB2 . 19288 1 857 . 1 1 83 83 LYS HB3 H 1 1.884 0.018 . 2 . . . A 83 LYS HB3 . 19288 1 858 . 1 1 83 83 LYS HG2 H 1 1.395 0.012 . 2 . . . A 83 LYS HG2 . 19288 1 859 . 1 1 83 83 LYS HG3 H 1 1.395 0.012 . 2 . . . A 83 LYS HG3 . 19288 1 860 . 1 1 83 83 LYS HD2 H 1 1.661 0.027 . 2 . . . A 83 LYS HD2 . 19288 1 861 . 1 1 83 83 LYS HD3 H 1 1.661 0.027 . 2 . . . A 83 LYS HD3 . 19288 1 862 . 1 1 83 83 LYS HE2 H 1 2.956 0.003 . 2 . . . A 83 LYS HE2 . 19288 1 863 . 1 1 83 83 LYS HE3 H 1 2.956 0.003 . 2 . . . A 83 LYS HE3 . 19288 1 864 . 1 1 83 83 LYS C C 13 174.585 0.000 . 1 . . . A 83 LYS C . 19288 1 865 . 1 1 83 83 LYS CA C 13 54.369 0.092 . 1 . . . A 83 LYS CA . 19288 1 866 . 1 1 83 83 LYS CB C 13 35.540 0.074 . 1 . . . A 83 LYS CB . 19288 1 867 . 1 1 83 83 LYS CG C 13 24.865 0.037 . 1 . . . A 83 LYS CG . 19288 1 868 . 1 1 83 83 LYS CD C 13 29.207 0.062 . 1 . . . A 83 LYS CD . 19288 1 869 . 1 1 83 83 LYS CE C 13 42.328 0.048 . 1 . . . A 83 LYS CE . 19288 1 870 . 1 1 83 83 LYS N N 15 114.607 0.089 . 1 . . . A 83 LYS N . 19288 1 871 . 1 1 84 84 LYS H H 1 8.162 0.008 . 1 . . . A 84 LYS H . 19288 1 872 . 1 1 84 84 LYS HA H 1 3.073 0.008 . 1 . . . A 84 LYS HA . 19288 1 873 . 1 1 84 84 LYS HB2 H 1 1.311 0.013 . 2 . . . A 84 LYS HB2 . 19288 1 874 . 1 1 84 84 LYS HB3 H 1 1.056 0.012 . 2 . . . A 84 LYS HB3 . 19288 1 875 . 1 1 84 84 LYS HG2 H 1 1.029 0.020 . 2 . . . A 84 LYS HG2 . 19288 1 876 . 1 1 84 84 LYS HG3 H 1 1.029 0.020 . 2 . . . A 84 LYS HG3 . 19288 1 877 . 1 1 84 84 LYS HD2 H 1 1.509 0.010 . 2 . . . A 84 LYS HD2 . 19288 1 878 . 1 1 84 84 LYS HD3 H 1 1.509 0.010 . 2 . . . A 84 LYS HD3 . 19288 1 879 . 1 1 84 84 LYS HE2 H 1 2.868 0.003 . 2 . . . A 84 LYS HE2 . 19288 1 880 . 1 1 84 84 LYS HE3 H 1 2.868 0.003 . 2 . . . A 84 LYS HE3 . 19288 1 881 . 1 1 84 84 LYS C C 13 176.545 0.000 . 1 . . . A 84 LYS C . 19288 1 882 . 1 1 84 84 LYS CA C 13 59.680 0.148 . 1 . . . A 84 LYS CA . 19288 1 883 . 1 1 84 84 LYS CB C 13 31.920 0.084 . 1 . . . A 84 LYS CB . 19288 1 884 . 1 1 84 84 LYS CG C 13 24.595 0.042 . 1 . . . A 84 LYS CG . 19288 1 885 . 1 1 84 84 LYS CD C 13 29.280 0.045 . 1 . . . A 84 LYS CD . 19288 1 886 . 1 1 84 84 LYS CE C 13 42.164 0.010 . 1 . . . A 84 LYS CE . 19288 1 887 . 1 1 84 84 LYS N N 15 124.921 0.057 . 1 . . . A 84 LYS N . 19288 1 888 . 1 1 85 85 ASP H H 1 8.682 0.004 . 1 . . . A 85 ASP H . 19288 1 889 . 1 1 85 85 ASP HA H 1 4.192 0.004 . 1 . . . A 85 ASP HA . 19288 1 890 . 1 1 85 85 ASP HB2 H 1 2.507 0.000 . 2 . . . A 85 ASP HB2 . 19288 1 891 . 1 1 85 85 ASP HB3 H 1 2.507 0.000 . 2 . . . A 85 ASP HB3 . 19288 1 892 . 1 1 85 85 ASP C C 13 176.385 0.000 . 1 . . . A 85 ASP C . 19288 1 893 . 1 1 85 85 ASP CA C 13 56.789 0.098 . 1 . . . A 85 ASP CA . 19288 1 894 . 1 1 85 85 ASP CB C 13 39.780 0.086 . 1 . . . A 85 ASP CB . 19288 1 895 . 1 1 85 85 ASP N N 15 116.468 0.096 . 1 . . . A 85 ASP N . 19288 1 896 . 1 1 86 86 SER H H 1 7.200 0.010 . 1 . . . A 86 SER H . 19288 1 897 . 1 1 86 86 SER HA H 1 4.183 0.003 . 1 . . . A 86 SER HA . 19288 1 898 . 1 1 86 86 SER HB2 H 1 3.910 0.009 . 2 . . . A 86 SER HB2 . 19288 1 899 . 1 1 86 86 SER HB3 H 1 3.910 0.009 . 2 . . . A 86 SER HB3 . 19288 1 900 . 1 1 86 86 SER C C 13 179.169 0.000 . 1 . . . A 86 SER C . 19288 1 901 . 1 1 86 86 SER CA C 13 60.939 0.134 . 1 . . . A 86 SER CA . 19288 1 902 . 1 1 86 86 SER CB C 13 62.823 0.157 . 1 . . . A 86 SER CB . 19288 1 903 . 1 1 86 86 SER N N 15 114.601 0.070 . 1 . . . A 86 SER N . 19288 1 904 . 1 1 87 87 VAL H H 1 7.216 0.007 . 1 . . . A 87 VAL H . 19288 1 905 . 1 1 87 87 VAL HA H 1 2.698 0.008 . 1 . . . A 87 VAL HA . 19288 1 906 . 1 1 87 87 VAL HB H 1 2.102 0.008 . 1 . . . A 87 VAL HB . 19288 1 907 . 1 1 87 87 VAL HG11 H 1 0.917 0.000 . 2 . . . A 87 VAL HG11 . 19288 1 908 . 1 1 87 87 VAL HG12 H 1 0.917 0.000 . 2 . . . A 87 VAL HG12 . 19288 1 909 . 1 1 87 87 VAL HG13 H 1 0.917 0.000 . 2 . . . A 87 VAL HG13 . 19288 1 910 . 1 1 87 87 VAL HG21 H 1 0.917 0.000 . 2 . . . A 87 VAL HG21 . 19288 1 911 . 1 1 87 87 VAL HG22 H 1 0.917 0.000 . 2 . . . A 87 VAL HG22 . 19288 1 912 . 1 1 87 87 VAL HG23 H 1 0.917 0.000 . 2 . . . A 87 VAL HG23 . 19288 1 913 . 1 1 87 87 VAL C C 13 178.806 0.000 . 1 . . . A 87 VAL C . 19288 1 914 . 1 1 87 87 VAL CA C 13 66.028 0.120 . 1 . . . A 87 VAL CA . 19288 1 915 . 1 1 87 87 VAL CB C 13 31.461 0.075 . 1 . . . A 87 VAL CB . 19288 1 916 . 1 1 87 87 VAL CG1 C 13 22.772 0.126 . 1 . . . A 87 VAL CG1 . 19288 1 917 . 1 1 87 87 VAL CG2 C 13 21.601 0.159 . 1 . . . A 87 VAL CG2 . 19288 1 918 . 1 1 87 87 VAL N N 15 122.546 0.044 . 1 . . . A 87 VAL N . 19288 1 919 . 1 1 88 88 VAL H H 1 7.190 0.008 . 1 . . . A 88 VAL H . 19288 1 920 . 1 1 88 88 VAL HA H 1 3.485 0.005 . 1 . . . A 88 VAL HA . 19288 1 921 . 1 1 88 88 VAL HB H 1 2.051 0.010 . 1 . . . A 88 VAL HB . 19288 1 922 . 1 1 88 88 VAL HG11 H 1 0.937 0.000 . 2 . . . A 88 VAL HG11 . 19288 1 923 . 1 1 88 88 VAL HG12 H 1 0.937 0.000 . 2 . . . A 88 VAL HG12 . 19288 1 924 . 1 1 88 88 VAL HG13 H 1 0.937 0.000 . 2 . . . A 88 VAL HG13 . 19288 1 925 . 1 1 88 88 VAL HG21 H 1 0.937 0.000 . 2 . . . A 88 VAL HG21 . 19288 1 926 . 1 1 88 88 VAL HG22 H 1 0.937 0.000 . 2 . . . A 88 VAL HG22 . 19288 1 927 . 1 1 88 88 VAL HG23 H 1 0.937 0.000 . 2 . . . A 88 VAL HG23 . 19288 1 928 . 1 1 88 88 VAL C C 13 176.208 0.000 . 1 . . . A 88 VAL C . 19288 1 929 . 1 1 88 88 VAL CA C 13 66.735 0.176 . 1 . . . A 88 VAL CA . 19288 1 930 . 1 1 88 88 VAL CB C 13 31.948 0.073 . 1 . . . A 88 VAL CB . 19288 1 931 . 1 1 88 88 VAL CG1 C 13 22.261 0.106 . 1 . . . A 88 VAL CG1 . 19288 1 932 . 1 1 88 88 VAL CG2 C 13 20.802 0.139 . 1 . . . A 88 VAL CG2 . 19288 1 933 . 1 1 88 88 VAL N N 15 120.424 0.062 . 1 . . . A 88 VAL N . 19288 1 934 . 1 1 89 89 ALA H H 1 7.420 0.008 . 1 . . . A 89 ALA H . 19288 1 935 . 1 1 89 89 ALA HA H 1 4.129 0.005 . 1 . . . A 89 ALA HA . 19288 1 936 . 1 1 89 89 ALA HB1 H 1 1.376 0.022 . 1 . . . A 89 ALA HB1 . 19288 1 937 . 1 1 89 89 ALA HB2 H 1 1.376 0.022 . 1 . . . A 89 ALA HB2 . 19288 1 938 . 1 1 89 89 ALA HB3 H 1 1.376 0.022 . 1 . . . A 89 ALA HB3 . 19288 1 939 . 1 1 89 89 ALA C C 13 177.109 0.000 . 1 . . . A 89 ALA C . 19288 1 940 . 1 1 89 89 ALA CA C 13 54.855 0.081 . 1 . . . A 89 ALA CA . 19288 1 941 . 1 1 89 89 ALA CB C 13 18.270 0.058 . 1 . . . A 89 ALA CB . 19288 1 942 . 1 1 89 89 ALA N N 15 121.639 0.101 . 1 . . . A 89 ALA N . 19288 1 943 . 1 1 90 90 HIS H H 1 7.649 0.010 . 1 . . . A 90 HIS H . 19288 1 944 . 1 1 90 90 HIS HA H 1 4.374 0.006 . 1 . . . A 90 HIS HA . 19288 1 945 . 1 1 90 90 HIS HB2 H 1 3.031 0.033 . 2 . . . A 90 HIS HB2 . 19288 1 946 . 1 1 90 90 HIS HB3 H 1 3.031 0.033 . 2 . . . A 90 HIS HB3 . 19288 1 947 . 1 1 90 90 HIS HD2 H 1 7.119 0.004 . 1 . . . A 90 HIS HD2 . 19288 1 948 . 1 1 90 90 HIS C C 13 178.873 0.000 . 1 . . . A 90 HIS C . 19288 1 949 . 1 1 90 90 HIS CA C 13 58.794 0.128 . 1 . . . A 90 HIS CA . 19288 1 950 . 1 1 90 90 HIS CB C 13 28.238 0.038 . 1 . . . A 90 HIS CB . 19288 1 951 . 1 1 90 90 HIS CD2 C 13 127.304 0.021 . 1 . . . A 90 HIS CD2 . 19288 1 952 . 1 1 90 90 HIS N N 15 117.488 0.144 . 1 . . . A 90 HIS N . 19288 1 953 . 1 1 91 91 LYS H H 1 8.649 0.006 . 1 . . . A 91 LYS H . 19288 1 954 . 1 1 91 91 LYS HA H 1 3.579 0.015 . 1 . . . A 91 LYS HA . 19288 1 955 . 1 1 91 91 LYS HB2 H 1 1.990 0.020 . 2 . . . A 91 LYS HB2 . 19288 1 956 . 1 1 91 91 LYS HB3 H 1 1.990 0.020 . 2 . . . A 91 LYS HB3 . 19288 1 957 . 1 1 91 91 LYS HG2 H 1 1.965 0.022 . 2 . . . A 91 LYS HG2 . 19288 1 958 . 1 1 91 91 LYS HG3 H 1 1.673 0.005 . 2 . . . A 91 LYS HG3 . 19288 1 959 . 1 1 91 91 LYS HD2 H 1 1.847 0.004 . 2 . . . A 91 LYS HD2 . 19288 1 960 . 1 1 91 91 LYS HD3 H 1 1.847 0.004 . 2 . . . A 91 LYS HD3 . 19288 1 961 . 1 1 91 91 LYS HE2 H 1 3.133 0.002 . 2 . . . A 91 LYS HE2 . 19288 1 962 . 1 1 91 91 LYS HE3 H 1 3.133 0.002 . 2 . . . A 91 LYS HE3 . 19288 1 963 . 1 1 91 91 LYS C C 13 179.933 0.000 . 1 . . . A 91 LYS C . 19288 1 964 . 1 1 91 91 LYS CA C 13 61.129 0.076 . 1 . . . A 91 LYS CA . 19288 1 965 . 1 1 91 91 LYS CB C 13 32.205 0.066 . 1 . . . A 91 LYS CB . 19288 1 966 . 1 1 91 91 LYS CG C 13 27.661 0.192 . 1 . . . A 91 LYS CG . 19288 1 967 . 1 1 91 91 LYS CD C 13 30.154 0.048 . 1 . . . A 91 LYS CD . 19288 1 968 . 1 1 91 91 LYS CE C 13 42.774 0.025 . 1 . . . A 91 LYS CE . 19288 1 969 . 1 1 91 91 LYS N N 15 121.094 0.119 . 1 . . . A 91 LYS N . 19288 1 970 . 1 1 92 92 ALA H H 1 7.428 0.005 . 1 . . . A 92 ALA H . 19288 1 971 . 1 1 92 92 ALA HA H 1 4.015 0.008 . 1 . . . A 92 ALA HA . 19288 1 972 . 1 1 92 92 ALA HB1 H 1 1.402 0.010 . 1 . . . A 92 ALA HB1 . 19288 1 973 . 1 1 92 92 ALA HB2 H 1 1.402 0.010 . 1 . . . A 92 ALA HB2 . 19288 1 974 . 1 1 92 92 ALA HB3 H 1 1.402 0.010 . 1 . . . A 92 ALA HB3 . 19288 1 975 . 1 1 92 92 ALA C C 13 177.133 0.000 . 1 . . . A 92 ALA C . 19288 1 976 . 1 1 92 92 ALA CA C 13 54.565 0.148 . 1 . . . A 92 ALA CA . 19288 1 977 . 1 1 92 92 ALA CB C 13 18.169 0.048 . 1 . . . A 92 ALA CB . 19288 1 978 . 1 1 92 92 ALA N N 15 118.467 0.118 . 1 . . . A 92 ALA N . 19288 1 979 . 1 1 93 93 LYS H H 1 7.219 0.020 . 1 . . . A 93 LYS H . 19288 1 980 . 1 1 93 93 LYS HA H 1 4.179 0.005 . 1 . . . A 93 LYS HA . 19288 1 981 . 1 1 93 93 LYS HB2 H 1 1.779 0.015 . 2 . . . A 93 LYS HB2 . 19288 1 982 . 1 1 93 93 LYS HB3 H 1 1.779 0.015 . 2 . . . A 93 LYS HB3 . 19288 1 983 . 1 1 93 93 LYS HG2 H 1 1.390 0.009 . 2 . . . A 93 LYS HG2 . 19288 1 984 . 1 1 93 93 LYS HG3 H 1 1.390 0.009 . 2 . . . A 93 LYS HG3 . 19288 1 985 . 1 1 93 93 LYS HD2 H 1 1.634 0.008 . 2 . . . A 93 LYS HD2 . 19288 1 986 . 1 1 93 93 LYS HD3 H 1 1.634 0.008 . 2 . . . A 93 LYS HD3 . 19288 1 987 . 1 1 93 93 LYS HE2 H 1 2.933 0.008 . 2 . . . A 93 LYS HE2 . 19288 1 988 . 1 1 93 93 LYS HE3 H 1 2.933 0.008 . 2 . . . A 93 LYS HE3 . 19288 1 989 . 1 1 93 93 LYS C C 13 177.854 0.000 . 1 . . . A 93 LYS C . 19288 1 990 . 1 1 93 93 LYS CA C 13 57.652 0.106 . 1 . . . A 93 LYS CA . 19288 1 991 . 1 1 93 93 LYS CB C 13 33.860 0.066 . 1 . . . A 93 LYS CB . 19288 1 992 . 1 1 93 93 LYS CG C 13 24.806 0.040 . 1 . . . A 93 LYS CG . 19288 1 993 . 1 1 93 93 LYS CD C 13 28.956 0.040 . 1 . . . A 93 LYS CD . 19288 1 994 . 1 1 93 93 LYS CE C 13 42.376 0.000 . 1 . . . A 93 LYS CE . 19288 1 995 . 1 1 93 93 LYS N N 15 114.095 0.091 . 1 . . . A 93 LYS N . 19288 1 996 . 1 1 94 94 SER H H 1 8.363 0.006 . 1 . . . A 94 SER H . 19288 1 997 . 1 1 94 94 SER HA H 1 4.237 0.006 . 1 . . . A 94 SER HA . 19288 1 998 . 1 1 94 94 SER HB2 H 1 3.031 0.007 . 1 . . . A 94 SER HB2 . 19288 1 999 . 1 1 94 94 SER HB3 H 1 2.360 0.007 . 1 . . . A 94 SER HB3 . 19288 1 1000 . 1 1 94 94 SER C C 13 178.892 0.000 . 1 . . . A 94 SER C . 19288 1 1001 . 1 1 94 94 SER CA C 13 60.570 0.114 . 1 . . . A 94 SER CA . 19288 1 1002 . 1 1 94 94 SER CB C 13 63.273 0.141 . 1 . . . A 94 SER CB . 19288 1 1003 . 1 1 94 94 SER N N 15 111.984 0.118 . 1 . . . A 94 SER N . 19288 1 1004 . 1 1 95 95 HIS H H 1 7.737 0.008 . 1 . . . A 95 HIS H . 19288 1 1005 . 1 1 95 95 HIS HA H 1 5.415 0.008 . 1 . . . A 95 HIS HA . 19288 1 1006 . 1 1 95 95 HIS HB2 H 1 3.120 0.014 . 2 . . . A 95 HIS HB2 . 19288 1 1007 . 1 1 95 95 HIS HB3 H 1 3.120 0.014 . 2 . . . A 95 HIS HB3 . 19288 1 1008 . 1 1 95 95 HIS HD2 H 1 6.561 0.002 . 1 . . . A 95 HIS HD2 . 19288 1 1009 . 1 1 95 95 HIS C C 13 178.479 0.000 . 1 . . . A 95 HIS C . 19288 1 1010 . 1 1 95 95 HIS CA C 13 51.725 0.092 . 1 . . . A 95 HIS CA . 19288 1 1011 . 1 1 95 95 HIS CB C 13 29.033 0.117 . 1 . . . A 95 HIS CB . 19288 1 1012 . 1 1 95 95 HIS CD2 C 13 127.666 0.020 . 1 . . . A 95 HIS CD2 . 19288 1 1013 . 1 1 95 95 HIS N N 15 117.264 0.085 . 1 . . . A 95 HIS N . 19288 1 1014 . 1 1 96 96 PRO HA H 1 4.352 0.003 . 1 . . . A 96 PRO HA . 19288 1 1015 . 1 1 96 96 PRO HB2 H 1 2.263 0.009 . 2 . . . A 96 PRO HB2 . 19288 1 1016 . 1 1 96 96 PRO HB3 H 1 1.968 0.006 . 2 . . . A 96 PRO HB3 . 19288 1 1017 . 1 1 96 96 PRO HG2 H 1 1.918 0.009 . 2 . . . A 96 PRO HG2 . 19288 1 1018 . 1 1 96 96 PRO HG3 H 1 1.918 0.009 . 2 . . . A 96 PRO HG3 . 19288 1 1019 . 1 1 96 96 PRO HD2 H 1 3.515 0.011 . 1 . . . A 96 PRO HD2 . 19288 1 1020 . 1 1 96 96 PRO HD3 H 1 3.148 0.013 . 1 . . . A 96 PRO HD3 . 19288 1 1021 . 1 1 96 96 PRO C C 13 173.266 0.000 . 1 . . . A 96 PRO C . 19288 1 1022 . 1 1 96 96 PRO CA C 13 64.304 0.148 . 1 . . . A 96 PRO CA . 19288 1 1023 . 1 1 96 96 PRO CB C 13 31.996 0.063 . 1 . . . A 96 PRO CB . 19288 1 1024 . 1 1 96 96 PRO CG C 13 27.417 0.050 . 1 . . . A 96 PRO CG . 19288 1 1025 . 1 1 96 96 PRO CD C 13 50.501 0.061 . 1 . . . A 96 PRO CD . 19288 1 1026 . 1 1 97 97 GLU H H 1 8.950 0.006 . 1 . . . A 97 GLU H . 19288 1 1027 . 1 1 97 97 GLU HA H 1 4.298 0.009 . 1 . . . A 97 GLU HA . 19288 1 1028 . 1 1 97 97 GLU HB2 H 1 2.001 0.038 . 2 . . . A 97 GLU HB2 . 19288 1 1029 . 1 1 97 97 GLU HB3 H 1 2.001 0.038 . 2 . . . A 97 GLU HB3 . 19288 1 1030 . 1 1 97 97 GLU HG2 H 1 2.268 0.012 . 2 . . . A 97 GLU HG2 . 19288 1 1031 . 1 1 97 97 GLU HG3 H 1 2.268 0.012 . 2 . . . A 97 GLU HG3 . 19288 1 1032 . 1 1 97 97 GLU CA C 13 56.891 0.102 . 1 . . . A 97 GLU CA . 19288 1 1033 . 1 1 97 97 GLU CB C 13 29.746 0.090 . 1 . . . A 97 GLU CB . 19288 1 1034 . 1 1 97 97 GLU CG C 13 36.431 0.020 . 1 . . . A 97 GLU CG . 19288 1 1035 . 1 1 97 97 GLU N N 15 120.763 0.031 . 1 . . . A 97 GLU N . 19288 1 1036 . 1 1 98 98 VAL H H 1 7.566 0.005 . 1 . . . A 98 VAL H . 19288 1 1037 . 1 1 98 98 VAL HA H 1 4.015 0.004 . 1 . . . A 98 VAL HA . 19288 1 1038 . 1 1 98 98 VAL HB H 1 2.078 0.006 . 1 . . . A 98 VAL HB . 19288 1 1039 . 1 1 98 98 VAL HG11 H 1 0.877 0.013 . 2 . . . A 98 VAL HG11 . 19288 1 1040 . 1 1 98 98 VAL HG12 H 1 0.877 0.013 . 2 . . . A 98 VAL HG12 . 19288 1 1041 . 1 1 98 98 VAL HG13 H 1 0.877 0.013 . 2 . . . A 98 VAL HG13 . 19288 1 1042 . 1 1 98 98 VAL HG21 H 1 0.869 0.004 . 2 . . . A 98 VAL HG21 . 19288 1 1043 . 1 1 98 98 VAL HG22 H 1 0.869 0.004 . 2 . . . A 98 VAL HG22 . 19288 1 1044 . 1 1 98 98 VAL HG23 H 1 0.869 0.004 . 2 . . . A 98 VAL HG23 . 19288 1 1045 . 1 1 98 98 VAL C C 13 177.076 0.000 . 1 . . . A 98 VAL C . 19288 1 1046 . 1 1 98 98 VAL CA C 13 63.965 0.132 . 1 . . . A 98 VAL CA . 19288 1 1047 . 1 1 98 98 VAL CB C 13 33.122 0.081 . 1 . . . A 98 VAL CB . 19288 1 1048 . 1 1 98 98 VAL CG1 C 13 21.762 0.065 . 1 . . . A 98 VAL CG1 . 19288 1 1049 . 1 1 98 98 VAL CG2 C 13 20.447 0.070 . 1 . . . A 98 VAL CG2 . 19288 1 1050 . 1 1 98 98 VAL N N 15 124.794 0.094 . 1 . . . A 98 VAL N . 19288 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_C12E5_RDC _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode C12E5_RDC _RDC_list.Entry_ID 19288 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 13 '2D 1H-15N J-modulation HSQC' . . . 19288 1 15 '2D 1H-15N J-modulation HSQC' . . . 19288 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 13 13 ASP N N 15 . . 1 1 13 13 ASP H H 1 . -7.746 . . 1.5 . . . . . . . . . . . 19288 1 2 DNH . 1 1 14 14 TYR N N 15 . . 1 1 14 14 TYR H H 1 . -10.180 . . 1.5 . . . . . . . . . . . 19288 1 3 DNH . 1 1 15 15 ILE N N 15 . . 1 1 15 15 ILE H H 1 . -7.704 . . 1.5 . . . . . . . . . . . 19288 1 4 DNH . 1 1 16 16 CYS N N 15 . . 1 1 16 16 CYS H H 1 . -5.839 . . 1.5 . . . . . . . . . . . 19288 1 5 DNH . 1 1 17 17 GLU N N 15 . . 1 1 17 17 GLU H H 1 . -5.721 . . 1.5 . . . . . . . . . . . 19288 1 6 DNH . 1 1 18 18 TYR N N 15 . . 1 1 18 18 TYR H H 1 . -9.646 . . 1.5 . . . . . . . . . . . 19288 1 7 DNH . 1 1 19 19 CYS N N 15 . . 1 1 19 19 CYS H H 1 . -9.094 . . 1.5 . . . . . . . . . . . 19288 1 8 DNH . 1 1 20 20 ALA N N 15 . . 1 1 20 20 ALA H H 1 . -6.683 . . 1.5 . . . . . . . . . . . 19288 1 9 DNH . 1 1 21 21 ARG N N 15 . . 1 1 21 21 ARG H H 1 . 4.972 . . 1.5 . . . . . . . . . . . 19288 1 10 DNH . 1 1 22 22 ALA N N 15 . . 1 1 22 22 ALA H H 1 . -8.785 . . 1.5 . . . . . . . . . . . 19288 1 11 DNH . 1 1 23 23 PHE N N 15 . . 1 1 23 23 PHE H H 1 . -8.447 . . 1.5 . . . . . . . . . . . 19288 1 12 DNH . 1 1 24 24 LYS N N 15 . . 1 1 24 24 LYS H H 1 . -4.057 . . 1.5 . . . . . . . . . . . 19288 1 13 DNH . 1 1 25 25 SER N N 15 . . 1 1 25 25 SER H H 1 . 7.506 . . 1.5 . . . . . . . . . . . 19288 1 14 DNH . 1 1 26 26 SER N N 15 . . 1 1 26 26 SER H H 1 . 11.734 . . 1.5 . . . . . . . . . . . 19288 1 15 DNH . 1 1 29 29 LEU N N 15 . . 1 1 29 29 LEU H H 1 . 12.605 . . 1.5 . . . . . . . . . . . 19288 1 16 DNH . 1 1 30 30 ALA N N 15 . . 1 1 30 30 ALA H H 1 . 11.476 . . 1.5 . . . . . . . . . . . 19288 1 17 DNH . 1 1 31 31 VAL N N 15 . . 1 1 31 31 VAL H H 1 . 20.742 . . 1.5 . . . . . . . . . . . 19288 1 18 DNH . 1 1 32 32 HIS N N 15 . . 1 1 32 32 HIS H H 1 . 18.374 . . 1.5 . . . . . . . . . . . 19288 1 19 DNH . 1 1 33 33 ARG N N 15 . . 1 1 33 33 ARG H H 1 . 11.961 . . 1.5 . . . . . . . . . . . 19288 1 20 DNH . 1 1 34 34 MET N N 15 . . 1 1 34 34 MET H H 1 . 7.531 . . 1.5 . . . . . . . . . . . 19288 1 21 DNH . 1 1 35 35 ILE N N 15 . . 1 1 35 35 ILE H H 1 . 24.146 . . 1.5 . . . . . . . . . . . 19288 1 22 DNH . 1 1 36 36 HIS N N 15 . . 1 1 36 36 HIS H H 1 . 8.718 . . 1.5 . . . . . . . . . . . 19288 1 23 DNH . 1 1 38 38 GLY N N 15 . . 1 1 38 38 GLY H H 1 . 2.240 . . 1.5 . . . . . . . . . . . 19288 1 24 DNH . 1 1 39 39 GLU N N 15 . . 1 1 39 39 GLU H H 1 . 7.300 . . 1.5 . . . . . . . . . . . 19288 1 25 DNH . 1 1 40 40 LYS N N 15 . . 1 1 40 40 LYS H H 1 . -10.217 . . 1.5 . . . . . . . . . . . 19288 1 26 DNH . 1 1 42 42 LEU N N 15 . . 1 1 42 42 LEU H H 1 . -10.056 . . 1.5 . . . . . . . . . . . 19288 1 27 DNH . 1 1 43 43 GLN N N 15 . . 1 1 43 43 GLN H H 1 . -9.771 . . 1.5 . . . . . . . . . . . 19288 1 28 DNH . 1 1 44 44 CYS N N 15 . . 1 1 44 44 CYS H H 1 . -6.405 . . 1.5 . . . . . . . . . . . 19288 1 29 DNH . 1 1 45 45 GLU N N 15 . . 1 1 45 45 GLU H H 1 . -1.715 . . 1.5 . . . . . . . . . . . 19288 1 30 DNH . 1 1 46 46 ILE N N 15 . . 1 1 46 46 ILE H H 1 . -8.573 . . 1.5 . . . . . . . . . . . 19288 1 31 DNH . 1 1 47 47 CYS N N 15 . . 1 1 47 47 CYS H H 1 . -4.755 . . 1.5 . . . . . . . . . . . 19288 1 32 DNH . 1 1 48 48 GLY N N 15 . . 1 1 48 48 GLY H H 1 . -5.768 . . 1.5 . . . . . . . . . . . 19288 1 33 DNH . 1 1 49 49 PHE N N 15 . . 1 1 49 49 PHE H H 1 . 21.811 . . 1.5 . . . . . . . . . . . 19288 1 34 DNH . 1 1 50 50 THR N N 15 . . 1 1 50 50 THR H H 1 . -8.589 . . 1.5 . . . . . . . . . . . 19288 1 35 DNH . 1 1 51 51 CYS N N 15 . . 1 1 51 51 CYS H H 1 . -15.168 . . 1.5 . . . . . . . . . . . 19288 1 36 DNH . 1 1 53 53 GLN N N 15 . . 1 1 53 53 GLN H H 1 . 2.983 . . 1.5 . . . . . . . . . . . 19288 1 37 DNH . 1 1 54 54 LYS N N 15 . . 1 1 54 54 LYS H H 1 . 15.701 . . 1.5 . . . . . . . . . . . 19288 1 38 DNH . 1 1 55 55 ALA N N 15 . . 1 1 55 55 ALA H H 1 . 19.863 . . 1.5 . . . . . . . . . . . 19288 1 39 DNH . 1 1 56 56 SER N N 15 . . 1 1 56 56 SER H H 1 . 20.663 . . 1.5 . . . . . . . . . . . 19288 1 40 DNH . 1 1 57 57 LEU N N 15 . . 1 1 57 57 LEU H H 1 . 14.529 . . 1.5 . . . . . . . . . . . 19288 1 41 DNH . 1 1 58 58 ASN N N 15 . . 1 1 58 58 ASN H H 1 . 18.649 . . 1.5 . . . . . . . . . . . 19288 1 42 DNH . 1 1 59 59 TRP N N 15 . . 1 1 59 59 TRP H H 1 . -1.072 . . 1.5 . . . . . . . . . . . 19288 1 43 DNH . 1 1 60 60 HIS N N 15 . . 1 1 60 60 HIS H H 1 . 0.563 . . 1.5 . . . . . . . . . . . 19288 1 44 DNH . 1 1 61 61 MET N N 15 . . 1 1 61 61 MET H H 1 . 17.064 . . 1.5 . . . . . . . . . . . 19288 1 45 DNH . 1 1 62 62 LYS N N 15 . . 1 1 62 62 LYS H H 1 . 17.142 . . 1.5 . . . . . . . . . . . 19288 1 46 DNH . 1 1 63 63 LYS N N 15 . . 1 1 63 63 LYS H H 1 . 25.901 . . 1.5 . . . . . . . . . . . 19288 1 47 DNH . 1 1 64 64 HIS N N 15 . . 1 1 64 64 HIS H H 1 . 9.607 . . 1.5 . . . . . . . . . . . 19288 1 48 DNH . 1 1 65 65 ASP N N 15 . . 1 1 65 65 ASP H H 1 . 0.757 . . 1.5 . . . . . . . . . . . 19288 1 49 DNH . 1 1 66 66 ALA N N 15 . . 1 1 66 66 ALA H H 1 . 0.722 . . 1.5 . . . . . . . . . . . 19288 1 50 DNH . 1 1 67 67 ASP N N 15 . . 1 1 67 67 ASP H H 1 . 2.877 . . 1.5 . . . . . . . . . . . 19288 1 51 DNH . 1 1 68 68 SER N N 15 . . 1 1 68 68 SER H H 1 . 1.784 . . 1.5 . . . . . . . . . . . 19288 1 52 DNH . 1 1 69 69 PHE N N 15 . . 1 1 69 69 PHE H H 1 . -2.871 . . 1.5 . . . . . . . . . . . 19288 1 53 DNH . 1 1 70 70 TYR N N 15 . . 1 1 70 70 TYR H H 1 . -2.759 . . 1.5 . . . . . . . . . . . 19288 1 54 DNH . 1 1 71 71 GLN N N 15 . . 1 1 71 71 GLN H H 1 . -5.682 . . 1.5 . . . . . . . . . . . 19288 1 55 DNH . 1 1 72 72 PHE N N 15 . . 1 1 72 72 PHE H H 1 . -4.749 . . 1.5 . . . . . . . . . . . 19288 1 56 DNH . 1 1 73 73 SER N N 15 . . 1 1 73 73 SER H H 1 . -4.174 . . 1.5 . . . . . . . . . . . 19288 1 57 DNH . 1 1 74 74 CYS N N 15 . . 1 1 74 74 CYS H H 1 . 0.922 . . 1.5 . . . . . . . . . . . 19288 1 58 DNH . 1 1 76 76 ILE N N 15 . . 1 1 76 76 ILE H H 1 . -8.194 . . 1.5 . . . . . . . . . . . 19288 1 59 DNH . 1 1 77 77 CYS N N 15 . . 1 1 77 77 CYS H H 1 . -7.383 . . 1.5 . . . . . . . . . . . 19288 1 60 DNH . 1 1 78 78 GLY N N 15 . . 1 1 78 78 GLY H H 1 . 1.198 . . 1.5 . . . . . . . . . . . 19288 1 61 DNH . 1 1 79 79 LYS N N 15 . . 1 1 79 79 LYS H H 1 . 13.913 . . 1.5 . . . . . . . . . . . 19288 1 62 DNH . 1 1 80 80 LYS N N 15 . . 1 1 80 80 LYS H H 1 . 4.131 . . 1.5 . . . . . . . . . . . 19288 1 63 DNH . 1 1 81 81 PHE N N 15 . . 1 1 81 81 PHE H H 1 . -7.334 . . 1.5 . . . . . . . . . . . 19288 1 64 DNH . 1 1 82 82 GLU N N 15 . . 1 1 82 82 GLU H H 1 . -8.012 . . 1.5 . . . . . . . . . . . 19288 1 65 DNH . 1 1 83 83 LYS N N 15 . . 1 1 83 83 LYS H H 1 . -3.886 . . 1.5 . . . . . . . . . . . 19288 1 66 DNH . 1 1 84 84 LYS N N 15 . . 1 1 84 84 LYS H H 1 . 0.367 . . 1.5 . . . . . . . . . . . 19288 1 67 DNH . 1 1 85 85 ASP N N 15 . . 1 1 85 85 ASP H H 1 . 3.377 . . 1.5 . . . . . . . . . . . 19288 1 68 DNH . 1 1 86 86 SER N N 15 . . 1 1 86 86 SER H H 1 . 9.833 . . 1.5 . . . . . . . . . . . 19288 1 69 DNH . 1 1 87 87 VAL N N 15 . . 1 1 87 87 VAL H H 1 . -2.016 . . 1.5 . . . . . . . . . . . 19288 1 70 DNH . 1 1 88 88 VAL N N 15 . . 1 1 88 88 VAL H H 1 . 2.875 . . 1.5 . . . . . . . . . . . 19288 1 71 DNH . 1 1 89 89 ALA N N 15 . . 1 1 89 89 ALA H H 1 . 9.689 . . 1.5 . . . . . . . . . . . 19288 1 72 DNH . 1 1 90 90 HIS N N 15 . . 1 1 90 90 HIS H H 1 . 5.609 . . 1.5 . . . . . . . . . . . 19288 1 73 DNH . 1 1 91 91 LYS N N 15 . . 1 1 91 91 LYS H H 1 . -0.770 . . 1.5 . . . . . . . . . . . 19288 1 74 DNH . 1 1 92 92 ALA N N 15 . . 1 1 92 92 ALA H H 1 . 4.768 . . 1.5 . . . . . . . . . . . 19288 1 75 DNH . 1 1 93 93 LYS N N 15 . . 1 1 93 93 LYS H H 1 . 10.280 . . 1.5 . . . . . . . . . . . 19288 1 76 DNH . 1 1 94 94 SER N N 15 . . 1 1 94 94 SER H H 1 . 0.416 . . 1.5 . . . . . . . . . . . 19288 1 77 DNH . 1 1 97 97 GLU N N 15 . . 1 1 97 97 GLU H H 1 . -2.508 . . 1.5 . . . . . . . . . . . 19288 1 78 DNH . 1 1 98 98 VAL N N 15 . . 1 1 98 98 VAL H H 1 . -1.042 . . 1.5 . . . . . . . . . . . 19288 1 stop_ save_ save_Polyacrylamide_Gel_RDC _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode Polyacrylamide_Gel_RDC _RDC_list.Entry_ID 19288 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 14 '2D 1H-15N J-modulation HSQC' . . . 19288 2 15 '2D 1H-15N J-modulation HSQC' . . . 19288 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 12 12 ARG N N 15 . . 1 1 12 12 ARG H H 1 . 3.309 . . 1.5 . . . . . . . . . . . 19288 2 2 DNH . 1 1 13 13 ASP N N 15 . . 1 1 13 13 ASP H H 1 . 3.241 . . 1.5 . . . . . . . . . . . 19288 2 3 DNH . 1 1 14 14 TYR N N 15 . . 1 1 14 14 TYR H H 1 . 3.099 . . 1.5 . . . . . . . . . . . 19288 2 4 DNH . 1 1 15 15 ILE N N 15 . . 1 1 15 15 ILE H H 1 . 3.427 . . 1.5 . . . . . . . . . . . 19288 2 5 DNH . 1 1 16 16 CYS N N 15 . . 1 1 16 16 CYS H H 1 . 2.084 . . 1.5 . . . . . . . . . . . 19288 2 6 DNH . 1 1 17 17 GLU N N 15 . . 1 1 17 17 GLU H H 1 . 8.810 . . 1.5 . . . . . . . . . . . 19288 2 7 DNH . 1 1 18 18 TYR N N 15 . . 1 1 18 18 TYR H H 1 . 5.478 . . 1.5 . . . . . . . . . . . 19288 2 8 DNH . 1 1 19 19 CYS N N 15 . . 1 1 19 19 CYS H H 1 . 4.414 . . 1.5 . . . . . . . . . . . 19288 2 9 DNH . 1 1 20 20 ALA N N 15 . . 1 1 20 20 ALA H H 1 . 0.316 . . 1.5 . . . . . . . . . . . 19288 2 10 DNH . 1 1 21 21 ARG N N 15 . . 1 1 21 21 ARG H H 1 . -8.300 . . 1.5 . . . . . . . . . . . 19288 2 11 DNH . 1 1 22 22 ALA N N 15 . . 1 1 22 22 ALA H H 1 . 2.222 . . 1.5 . . . . . . . . . . . 19288 2 12 DNH . 1 1 23 23 PHE N N 15 . . 1 1 23 23 PHE H H 1 . 4.419 . . 1.5 . . . . . . . . . . . 19288 2 13 DNH . 1 1 25 25 SER N N 15 . . 1 1 25 25 SER H H 1 . -3.669 . . 1.5 . . . . . . . . . . . 19288 2 14 DNH . 1 1 26 26 SER N N 15 . . 1 1 26 26 SER H H 1 . -6.215 . . 1.5 . . . . . . . . . . . 19288 2 15 DNH . 1 1 28 28 ASN N N 15 . . 1 1 28 28 ASN H H 1 . -8.957 . . 1.5 . . . . . . . . . . . 19288 2 16 DNH . 1 1 29 29 LEU N N 15 . . 1 1 29 29 LEU H H 1 . -6.276 . . 1.5 . . . . . . . . . . . 19288 2 17 DNH . 1 1 30 30 ALA N N 15 . . 1 1 30 30 ALA H H 1 . -5.608 . . 1.5 . . . . . . . . . . . 19288 2 18 DNH . 1 1 31 31 VAL N N 15 . . 1 1 31 31 VAL H H 1 . -8.060 . . 1.5 . . . . . . . . . . . 19288 2 19 DNH . 1 1 32 32 HIS N N 15 . . 1 1 32 32 HIS H H 1 . -9.175 . . 1.5 . . . . . . . . . . . 19288 2 20 DNH . 1 1 33 33 ARG N N 15 . . 1 1 33 33 ARG H H 1 . -5.183 . . 1.5 . . . . . . . . . . . 19288 2 21 DNH . 1 1 34 34 MET N N 15 . . 1 1 34 34 MET H H 1 . -1.910 . . 1.5 . . . . . . . . . . . 19288 2 22 DNH . 1 1 35 35 ILE N N 15 . . 1 1 35 35 ILE H H 1 . -10.256 . . 1.5 . . . . . . . . . . . 19288 2 23 DNH . 1 1 36 36 HIS N N 15 . . 1 1 36 36 HIS H H 1 . -3.881 . . 1.5 . . . . . . . . . . . 19288 2 24 DNH . 1 1 38 38 GLY N N 15 . . 1 1 38 38 GLY H H 1 . -2.187 . . 1.5 . . . . . . . . . . . 19288 2 25 DNH . 1 1 39 39 GLU N N 15 . . 1 1 39 39 GLU H H 1 . -2.968 . . 1.5 . . . . . . . . . . . 19288 2 26 DNH . 1 1 40 40 LYS N N 15 . . 1 1 40 40 LYS H H 1 . 4.023 . . 1.5 . . . . . . . . . . . 19288 2 27 DNH . 1 1 42 42 LEU N N 15 . . 1 1 42 42 LEU H H 1 . 5.569 . . 1.5 . . . . . . . . . . . 19288 2 28 DNH . 1 1 43 43 GLN N N 15 . . 1 1 43 43 GLN H H 1 . 2.582 . . 1.5 . . . . . . . . . . . 19288 2 29 DNH . 1 1 44 44 CYS N N 15 . . 1 1 44 44 CYS H H 1 . 2.483 . . 1.5 . . . . . . . . . . . 19288 2 30 DNH . 1 1 45 45 GLU N N 15 . . 1 1 45 45 GLU H H 1 . 7.536 . . 1.5 . . . . . . . . . . . 19288 2 31 DNH . 1 1 46 46 ILE N N 15 . . 1 1 46 46 ILE H H 1 . 8.083 . . 1.5 . . . . . . . . . . . 19288 2 32 DNH . 1 1 47 47 CYS N N 15 . . 1 1 47 47 CYS H H 1 . 4.365 . . 1.5 . . . . . . . . . . . 19288 2 33 DNH . 1 1 48 48 GLY N N 15 . . 1 1 48 48 GLY H H 1 . 0.888 . . 1.5 . . . . . . . . . . . 19288 2 34 DNH . 1 1 49 49 PHE N N 15 . . 1 1 49 49 PHE H H 1 . -10.255 . . 1.5 . . . . . . . . . . . 19288 2 35 DNH . 1 1 50 50 THR N N 15 . . 1 1 50 50 THR H H 1 . 3.045 . . 1.5 . . . . . . . . . . . 19288 2 36 DNH . 1 1 51 51 CYS N N 15 . . 1 1 51 51 CYS H H 1 . 5.166 . . 1.5 . . . . . . . . . . . 19288 2 37 DNH . 1 1 53 53 GLN N N 15 . . 1 1 53 53 GLN H H 1 . -3.504 . . 1.5 . . . . . . . . . . . 19288 2 38 DNH . 1 1 55 55 ALA N N 15 . . 1 1 55 55 ALA H H 1 . -0.701 . . 1.5 . . . . . . . . . . . 19288 2 39 DNH . 1 1 56 56 SER N N 15 . . 1 1 56 56 SER H H 1 . -9.762 . . 1.5 . . . . . . . . . . . 19288 2 40 DNH . 1 1 57 57 LEU N N 15 . . 1 1 57 57 LEU H H 1 . -6.474 . . 1.5 . . . . . . . . . . . 19288 2 41 DNH . 1 1 58 58 ASN N N 15 . . 1 1 58 58 ASN H H 1 . -7.004 . . 1.5 . . . . . . . . . . . 19288 2 42 DNH . 1 1 59 59 TRP N N 15 . . 1 1 59 59 TRP H H 1 . -0.515 . . 1.5 . . . . . . . . . . . 19288 2 43 DNH . 1 1 60 60 HIS N N 15 . . 1 1 60 60 HIS H H 1 . -8.644 . . 1.5 . . . . . . . . . . . 19288 2 44 DNH . 1 1 61 61 MET N N 15 . . 1 1 61 61 MET H H 1 . -6.209 . . 1.5 . . . . . . . . . . . 19288 2 45 DNH . 1 1 62 62 LYS N N 15 . . 1 1 62 62 LYS H H 1 . -2.931 . . 1.5 . . . . . . . . . . . 19288 2 46 DNH . 1 1 63 63 LYS N N 15 . . 1 1 63 63 LYS H H 1 . -10.894 . . 1.5 . . . . . . . . . . . 19288 2 47 DNH . 1 1 64 64 HIS N N 15 . . 1 1 64 64 HIS H H 1 . -5.609 . . 1.5 . . . . . . . . . . . 19288 2 48 DNH . 1 1 65 65 ASP N N 15 . . 1 1 65 65 ASP H H 1 . 3.560 . . 1.5 . . . . . . . . . . . 19288 2 49 DNH . 1 1 66 66 ALA N N 15 . . 1 1 66 66 ALA H H 1 . -2.963 . . 1.5 . . . . . . . . . . . 19288 2 50 DNH . 1 1 67 67 ASP N N 15 . . 1 1 67 67 ASP H H 1 . -5.229 . . 1.5 . . . . . . . . . . . 19288 2 51 DNH . 1 1 68 68 SER N N 15 . . 1 1 68 68 SER H H 1 . 0.405 . . 1.5 . . . . . . . . . . . 19288 2 52 DNH . 1 1 69 69 PHE N N 15 . . 1 1 69 69 PHE H H 1 . -1.933 . . 1.5 . . . . . . . . . . . 19288 2 53 DNH . 1 1 70 70 TYR N N 15 . . 1 1 70 70 TYR H H 1 . -5.785 . . 1.5 . . . . . . . . . . . 19288 2 54 DNH . 1 1 71 71 GLN N N 15 . . 1 1 71 71 GLN H H 1 . 1.223 . . 1.5 . . . . . . . . . . . 19288 2 55 DNH . 1 1 72 72 PHE N N 15 . . 1 1 72 72 PHE H H 1 . -0.227 . . 1.5 . . . . . . . . . . . 19288 2 56 DNH . 1 1 73 73 SER N N 15 . . 1 1 73 73 SER H H 1 . -5.894 . . 1.5 . . . . . . . . . . . 19288 2 57 DNH . 1 1 74 74 CYS N N 15 . . 1 1 74 74 CYS H H 1 . -3.218 . . 1.5 . . . . . . . . . . . 19288 2 58 DNH . 1 1 76 76 ILE N N 15 . . 1 1 76 76 ILE H H 1 . 1.391 . . 1.5 . . . . . . . . . . . 19288 2 59 DNH . 1 1 77 77 CYS N N 15 . . 1 1 77 77 CYS H H 1 . -2.243 . . 1.5 . . . . . . . . . . . 19288 2 60 DNH . 1 1 78 78 GLY N N 15 . . 1 1 78 78 GLY H H 1 . -5.331 . . 1.5 . . . . . . . . . . . 19288 2 61 DNH . 1 1 79 79 LYS N N 15 . . 1 1 79 79 LYS H H 1 . 8.954 . . 1.5 . . . . . . . . . . . 19288 2 62 DNH . 1 1 80 80 LYS N N 15 . . 1 1 80 80 LYS H H 1 . -5.554 . . 1.5 . . . . . . . . . . . 19288 2 63 DNH . 1 1 81 81 PHE N N 15 . . 1 1 81 81 PHE H H 1 . -5.186 . . 1.5 . . . . . . . . . . . 19288 2 64 DNH . 1 1 82 82 GLU N N 15 . . 1 1 82 82 GLU H H 1 . -5.580 . . 1.5 . . . . . . . . . . . 19288 2 65 DNH . 1 1 83 83 LYS N N 15 . . 1 1 83 83 LYS H H 1 . -2.906 . . 1.5 . . . . . . . . . . . 19288 2 66 DNH . 1 1 84 84 LYS N N 15 . . 1 1 84 84 LYS H H 1 . 2.073 . . 1.5 . . . . . . . . . . . 19288 2 67 DNH . 1 1 85 85 ASP N N 15 . . 1 1 85 85 ASP H H 1 . 5.018 . . 1.5 . . . . . . . . . . . 19288 2 68 DNH . 1 1 86 86 SER N N 15 . . 1 1 86 86 SER H H 1 . 4.521 . . 1.5 . . . . . . . . . . . 19288 2 69 DNH . 1 1 87 87 VAL N N 15 . . 1 1 87 87 VAL H H 1 . -0.949 . . 1.5 . . . . . . . . . . . 19288 2 70 DNH . 1 1 88 88 VAL N N 15 . . 1 1 88 88 VAL H H 1 . 7.029 . . 1.5 . . . . . . . . . . . 19288 2 71 DNH . 1 1 89 89 ALA N N 15 . . 1 1 89 89 ALA H H 1 . 10.423 . . 1.5 . . . . . . . . . . . 19288 2 72 DNH . 1 1 90 90 HIS N N 15 . . 1 1 90 90 HIS H H 1 . 2.566 . . 1.5 . . . . . . . . . . . 19288 2 73 DNH . 1 1 91 91 LYS N N 15 . . 1 1 91 91 LYS H H 1 . 0.701 . . 1.5 . . . . . . . . . . . 19288 2 74 DNH . 1 1 92 92 ALA N N 15 . . 1 1 92 92 ALA H H 1 . 8.158 . . 1.5 . . . . . . . . . . . 19288 2 75 DNH . 1 1 93 93 LYS N N 15 . . 1 1 93 93 LYS H H 1 . 7.370 . . 1.5 . . . . . . . . . . . 19288 2 76 DNH . 1 1 94 94 SER N N 15 . . 1 1 94 94 SER H H 1 . 0.680 . . 1.5 . . . . . . . . . . . 19288 2 77 DNH . 1 1 95 95 HIS N N 15 . . 1 1 95 95 HIS H H 1 . -1.449 . . 1.5 . . . . . . . . . . . 19288 2 78 DNH . 1 1 97 97 GLU N N 15 . . 1 1 97 97 GLU H H 1 . -1.796 . . 1.5 . . . . . . . . . . . 19288 2 79 DNH . 1 1 98 98 VAL N N 15 . . 1 1 98 98 VAL H H 1 . 2.857 . . 1.5 . . . . . . . . . . . 19288 2 stop_ save_