data_17157 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17157 _Entry.Title ; DNA repair protein zinc finger 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-30 _Entry.Accession_date 2010-08-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 David Neuhaus . . . 17157 2 Sebastian Eustermann . . . 17157 3 Ji-Chun Yang . . . 17157 4 Hortense Videler . . . 17157 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 . 'not applicable' 'not applicable' . 17157 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 17157 'zinc finger' . 17157 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17157 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 363 17157 '15N chemical shifts' 102 17157 '1H chemical shifts' 703 17157 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-03 2010-08-30 update BMRB 'update entry citation' 17157 1 . . 2011-01-27 2010-08-30 original author 'original release' 17157 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17158 'PARP-1 Finger 2' 17157 PDB 2L30 'BMRB Entry Tracking System' 17157 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17157 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21262234 _Citation.Full_citation . _Citation.Title 'The DNA-Binding Domain of Human PARP-1 Interacts with DNA Single-Strand Breaks as a Monomer through Its Second Zinc Finger.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 407 _Citation.Journal_issue 1 _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 149 _Citation.Page_last 170 _Citation.Year 2011 _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 Sebastian Eustermann . . . 17157 1 2 Hortense Videler . . . 17157 1 3 Ji-Chun Yang . . . 17157 1 4 Paul Cole . T. . 17157 1 5 Dominika Gruszka . . . 17157 1 6 Dmitry Veprintsev . . . 17157 1 7 David Neuhaus . . . 17157 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17157 _Assembly.ID 1 _Assembly.Name 'PARP-1 Finger 1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'PARP-1 Finger 1' 1 $PARP-1_Finger_1 A . yes native no no . . . 17157 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 17157 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'PARP-1 Finger 1' 1 CYS 21 21 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 21 CYS SG . . 1 ZN ZN 17157 1 2 coordination single . 1 'PARP-1 Finger 1' 1 CYS 24 24 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 24 CYS SG . . 1 ZN ZN 17157 1 3 coordination single . 1 'PARP-1 Finger 1' 1 HIS 53 53 ND1 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 53 HIS ND1 . . 1 ZN ZN 17157 1 4 coordination single . 1 'PARP-1 Finger 1' 1 CYS 56 56 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 56 CYS SG . . 1 ZN ZN 17157 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PARP-1_Finger_1 _Entity.Sf_category entity _Entity.Sf_framecode PARP-1_Finger_1 _Entity.Entry_ID 17157 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PARP-1_Finger_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAESSDKLYRVEYAKSGRAS CKKCSESIPKDSLRMAIMVQ SPMFDGKVPHWYHFSCFWKV GHSIRHPDVEVDGFSELRWD DQQKVKKTAEAGGVTGKGQD GIGSKAEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _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 12132.885 _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 2DMJ . "Solution Structure Of The First Zf-Parp Domain Of Human Poly(Adp-Ribose)polymerase-1" . . . . . 86.11 106 100.00 100.00 5.93e-62 . . . . 17157 1 2 no PDB 2L30 . "Human Parp-1 Zinc Finger 1" . . . . . 100.00 108 100.00 100.00 1.15e-72 . . . . 17157 1 3 no PDB 3ODA . "Human Parp-1 Zinc Finger 1 (Zn1) Bound To Dna" . . . . . 88.89 116 100.00 100.00 4.98e-64 . . . . 17157 1 4 no PDB 4DQY . "Structure Of Human Parp-1 Bound To A Dna Double Strand Break" . . . . . 88.89 116 100.00 100.00 4.98e-64 . . . . 17157 1 5 no PDB 4OPX . "Structure Of Human Parp-1 Bound To A Dna Double Strand Break In Complex With (2r)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-" . . . . . 89.81 267 100.00 100.00 8.86e-64 . . . . 17157 1 6 no PDB 4OQA . "Structure Of Human Parp-1 Bound To A Dna Double Strand Break In Complex With (2z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydr" . . . . . 89.81 267 100.00 100.00 8.86e-64 . . . . 17157 1 7 no PDB 4OQB . "Structure Of Human Parp-1 Bound To A Dna Double Strand Break In Complex With (2z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3" . . . . . 89.81 267 100.00 100.00 8.86e-64 . . . . 17157 1 8 no EMBL CAA39606 . "NAD(+) ADP-ribosyltransferase [Homo sapiens]" . . . . . 87.96 95 100.00 100.00 2.34e-63 . . . . 17157 1 9 no REF XP_011359180 . "PREDICTED: LOW QUALITY PROTEIN: poly [ADP-ribose] polymerase 1 [Pteropus vampyrus]" . . . . . 88.89 948 97.92 97.92 7.57e-58 . . . . 17157 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 . MET . 17157 1 2 . ALA . 17157 1 3 . GLU . 17157 1 4 . SER . 17157 1 5 . SER . 17157 1 6 . ASP . 17157 1 7 . LYS . 17157 1 8 . LEU . 17157 1 9 . TYR . 17157 1 10 . ARG . 17157 1 11 . VAL . 17157 1 12 . GLU . 17157 1 13 . TYR . 17157 1 14 . ALA . 17157 1 15 . LYS . 17157 1 16 . SER . 17157 1 17 . GLY . 17157 1 18 . ARG . 17157 1 19 . ALA . 17157 1 20 . SER . 17157 1 21 . CYS . 17157 1 22 . LYS . 17157 1 23 . LYS . 17157 1 24 . CYS . 17157 1 25 . SER . 17157 1 26 . GLU . 17157 1 27 . SER . 17157 1 28 . ILE . 17157 1 29 . PRO . 17157 1 30 . LYS . 17157 1 31 . ASP . 17157 1 32 . SER . 17157 1 33 . LEU . 17157 1 34 . ARG . 17157 1 35 . MET . 17157 1 36 . ALA . 17157 1 37 . ILE . 17157 1 38 . MET . 17157 1 39 . VAL . 17157 1 40 . GLN . 17157 1 41 . SER . 17157 1 42 . PRO . 17157 1 43 . MET . 17157 1 44 . PHE . 17157 1 45 . ASP . 17157 1 46 . GLY . 17157 1 47 . LYS . 17157 1 48 . VAL . 17157 1 49 . PRO . 17157 1 50 . HIS . 17157 1 51 . TRP . 17157 1 52 . TYR . 17157 1 53 . HIS . 17157 1 54 . PHE . 17157 1 55 . SER . 17157 1 56 . CYS . 17157 1 57 . PHE . 17157 1 58 . TRP . 17157 1 59 . LYS . 17157 1 60 . VAL . 17157 1 61 . GLY . 17157 1 62 . HIS . 17157 1 63 . SER . 17157 1 64 . ILE . 17157 1 65 . ARG . 17157 1 66 . HIS . 17157 1 67 . PRO . 17157 1 68 . ASP . 17157 1 69 . VAL . 17157 1 70 . GLU . 17157 1 71 . VAL . 17157 1 72 . ASP . 17157 1 73 . GLY . 17157 1 74 . PHE . 17157 1 75 . SER . 17157 1 76 . GLU . 17157 1 77 . LEU . 17157 1 78 . ARG . 17157 1 79 . TRP . 17157 1 80 . ASP . 17157 1 81 . ASP . 17157 1 82 . GLN . 17157 1 83 . GLN . 17157 1 84 . LYS . 17157 1 85 . VAL . 17157 1 86 . LYS . 17157 1 87 . LYS . 17157 1 88 . THR . 17157 1 89 . ALA . 17157 1 90 . GLU . 17157 1 91 . ALA . 17157 1 92 . GLY . 17157 1 93 . GLY . 17157 1 94 . VAL . 17157 1 95 . THR . 17157 1 96 . GLY . 17157 1 97 . LYS . 17157 1 98 . GLY . 17157 1 99 . GLN . 17157 1 100 . ASP . 17157 1 101 . GLY . 17157 1 102 . ILE . 17157 1 103 . GLY . 17157 1 104 . SER . 17157 1 105 . LYS . 17157 1 106 . ALA . 17157 1 107 . GLU . 17157 1 108 . LYS . 17157 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 17157 1 . ALA 2 2 17157 1 . GLU 3 3 17157 1 . SER 4 4 17157 1 . SER 5 5 17157 1 . ASP 6 6 17157 1 . LYS 7 7 17157 1 . LEU 8 8 17157 1 . TYR 9 9 17157 1 . ARG 10 10 17157 1 . VAL 11 11 17157 1 . GLU 12 12 17157 1 . TYR 13 13 17157 1 . ALA 14 14 17157 1 . LYS 15 15 17157 1 . SER 16 16 17157 1 . GLY 17 17 17157 1 . ARG 18 18 17157 1 . ALA 19 19 17157 1 . SER 20 20 17157 1 . CYS 21 21 17157 1 . LYS 22 22 17157 1 . LYS 23 23 17157 1 . CYS 24 24 17157 1 . SER 25 25 17157 1 . GLU 26 26 17157 1 . SER 27 27 17157 1 . ILE 28 28 17157 1 . PRO 29 29 17157 1 . LYS 30 30 17157 1 . ASP 31 31 17157 1 . SER 32 32 17157 1 . LEU 33 33 17157 1 . ARG 34 34 17157 1 . MET 35 35 17157 1 . ALA 36 36 17157 1 . ILE 37 37 17157 1 . MET 38 38 17157 1 . VAL 39 39 17157 1 . GLN 40 40 17157 1 . SER 41 41 17157 1 . PRO 42 42 17157 1 . MET 43 43 17157 1 . PHE 44 44 17157 1 . ASP 45 45 17157 1 . GLY 46 46 17157 1 . LYS 47 47 17157 1 . VAL 48 48 17157 1 . PRO 49 49 17157 1 . HIS 50 50 17157 1 . TRP 51 51 17157 1 . TYR 52 52 17157 1 . HIS 53 53 17157 1 . PHE 54 54 17157 1 . SER 55 55 17157 1 . CYS 56 56 17157 1 . PHE 57 57 17157 1 . TRP 58 58 17157 1 . LYS 59 59 17157 1 . VAL 60 60 17157 1 . GLY 61 61 17157 1 . HIS 62 62 17157 1 . SER 63 63 17157 1 . ILE 64 64 17157 1 . ARG 65 65 17157 1 . HIS 66 66 17157 1 . PRO 67 67 17157 1 . ASP 68 68 17157 1 . VAL 69 69 17157 1 . GLU 70 70 17157 1 . VAL 71 71 17157 1 . ASP 72 72 17157 1 . GLY 73 73 17157 1 . PHE 74 74 17157 1 . SER 75 75 17157 1 . GLU 76 76 17157 1 . LEU 77 77 17157 1 . ARG 78 78 17157 1 . TRP 79 79 17157 1 . ASP 80 80 17157 1 . ASP 81 81 17157 1 . GLN 82 82 17157 1 . GLN 83 83 17157 1 . LYS 84 84 17157 1 . VAL 85 85 17157 1 . LYS 86 86 17157 1 . LYS 87 87 17157 1 . THR 88 88 17157 1 . ALA 89 89 17157 1 . GLU 90 90 17157 1 . ALA 91 91 17157 1 . GLY 92 92 17157 1 . GLY 93 93 17157 1 . VAL 94 94 17157 1 . THR 95 95 17157 1 . GLY 96 96 17157 1 . LYS 97 97 17157 1 . GLY 98 98 17157 1 . GLN 99 99 17157 1 . ASP 100 100 17157 1 . GLY 101 101 17157 1 . ILE 102 102 17157 1 . GLY 103 103 17157 1 . SER 104 104 17157 1 . LYS 105 105 17157 1 . ALA 106 106 17157 1 . GLU 107 107 17157 1 . LYS 108 108 17157 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17157 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 17157 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 17157 _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 $PARP-1_Finger_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17157 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 17157 _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 $PARP-1_Finger_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET28A . . . . . . 17157 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 17157 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _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=1/Zn/q+2 InChI InChI 1.02b 17157 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17157 ZN [Zn++] SMILES CACTVS 3.341 17157 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17157 ZN [Zn+2] SMILES ACDLabs 10.04 17157 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17157 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17157 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 17157 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17157 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 . . N 2 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 17157 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17157 _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 'PARP-1 Finger 1' '[U-98% 15N; U-98% 13C]' . . 1 $PARP-1_Finger_1 . . . 0.5 1 mM . . . . 17157 1 2 TRIS '[U-99% 2H]' . . . . . . 50 . . mM . . . . 17157 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17157 1 4 'zinc sulfate' 'natural abundance' . . 2 $ZN . . 150 . . uM . . . . 17157 1 5 DTT '[U-99% 2H]' . . . . . . 4 . . mM . . . . 17157 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17157 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17157 1 8 TRIS '[U-99% 2H]' . . . . . . 50 . . mM . . . . 17157 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17157 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.201 . M 17157 1 pH 7.0 . pH 17157 1 pressure 1 . atm 17157 1 temperature 300 . K 17157 1 stop_ save_ ############################ # Computer software used # ############################ save_ATNOSCANDID _Software.Sf_category software _Software.Sf_framecode ATNOSCANDID _Software.Entry_ID 17157 _Software.ID 1 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 17157 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17157 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17157 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17157 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17157 2 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 17157 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17157 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17157 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17157 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17157 1 2 spectrometer_2 Bruker DMX . 600 . . . 17157 1 3 spectrometer_3 Bruker DRX . 500 . . . 17157 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 17157 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 5 '2D 1H-1H NOESY 15N-filtered' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 6 '3D CBCAHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 8 '3D HBHAHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 10 '3D [1H-13C-1H] HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 11 '3D [13C-13C-1H] HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17157 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 17157 _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 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17157 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17157 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17157 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 17157 _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' . . . 17157 1 2 '2D 1H-13C HSQC aliphatic' . . . 17157 1 3 '2D 1H-13C HSQC aromatic' . . . 17157 1 4 '2D 1H-1H NOESY' . . . 17157 1 5 '2D 1H-1H NOESY 15N-filtered' . . . 17157 1 6 '3D CBCAHN' . . . 17157 1 7 '3D CBCA(CO)NH' . . . 17157 1 8 '3D HBHAHN' . . . 17157 1 9 '3D HBHA(CO)NH' . . . 17157 1 10 '3D [1H-13C-1H] HCCH-TOCSY' . . . 17157 1 11 '3D [13C-13C-1H] HCCH-TOCSY' . . . 17157 1 12 '3D 1H-15N NOESY' . . . 17157 1 13 '3D 1H-13C NOESY aliphatic' . . . 17157 1 14 '3D 1H-13C NOESY aromatic' . . . 17157 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 3 3 GLU HA H 1 4.464 0.020 5 1 . . . . 3 GLU HA . 17157 1 2 . 1 1 3 3 GLU HB2 H 1 2.170 0.020 2 2 . . . . 3 GLU HB2 . 17157 1 3 . 1 1 3 3 GLU HB3 H 1 2.017 0.020 2 2 . . . . 3 GLU HB3 . 17157 1 4 . 1 1 3 3 GLU HG2 H 1 2.373 0.020 2 2 . . . . 3 GLU HG2 . 17157 1 5 . 1 1 3 3 GLU HG3 H 1 2.368 0.020 4 2 . . . . 3 GLU HG3 . 17157 1 6 . 1 1 3 3 GLU CA C 13 56.048 0.100 5 1 . . . . 3 GLU CA . 17157 1 7 . 1 1 3 3 GLU CB C 13 30.151 0.100 2 1 . . . . 3 GLU CB . 17157 1 8 . 1 1 3 3 GLU CG C 13 35.882 0.100 4 1 . . . . 3 GLU CG . 17157 1 9 . 1 1 4 4 SER H H 1 8.625 0.020 8 1 . . . . 4 SER H . 17157 1 10 . 1 1 4 4 SER HA H 1 4.510 0.020 1 1 . . . . 4 SER HA . 17157 1 11 . 1 1 4 4 SER HB2 H 1 3.952 0.020 1 1 . . . . 4 SER HB2 . 17157 1 12 . 1 1 4 4 SER HB3 H 1 3.952 0.020 2 1 . . . . 4 SER HB3 . 17157 1 13 . 1 1 4 4 SER CA C 13 58.186 0.100 1 1 . . . . 4 SER CA . 17157 1 14 . 1 1 4 4 SER CB C 13 63.592 0.100 1 1 . . . . 4 SER CB . 17157 1 15 . 1 1 4 4 SER N N 15 117.358 0.100 8 1 . . . . 4 SER N . 17157 1 16 . 1 1 5 5 SER H H 1 8.460 0.020 6 1 . . . . 5 SER H . 17157 1 17 . 1 1 5 5 SER HA H 1 4.544 0.020 2 1 . . . . 5 SER HA . 17157 1 18 . 1 1 5 5 SER HB2 H 1 3.989 0.020 2 2 . . . . 5 SER HB2 . 17157 1 19 . 1 1 5 5 SER HB3 H 1 3.884 0.020 2 2 . . . . 5 SER HB3 . 17157 1 20 . 1 1 5 5 SER CA C 13 58.022 0.100 2 1 . . . . 5 SER CA . 17157 1 21 . 1 1 5 5 SER CB C 13 63.600 0.100 2 1 . . . . 5 SER CB . 17157 1 22 . 1 1 5 5 SER N N 15 117.384 0.100 6 1 . . . . 5 SER N . 17157 1 23 . 1 1 6 6 ASP H H 1 8.387 0.020 11 1 . . . . 6 ASP H . 17157 1 24 . 1 1 6 6 ASP HA H 1 4.680 0.020 2 1 . . . . 6 ASP HA . 17157 1 25 . 1 1 6 6 ASP HB2 H 1 2.731 0.020 2 2 . . . . 6 ASP HB2 . 17157 1 26 . 1 1 6 6 ASP HB3 H 1 2.640 0.020 2 2 . . . . 6 ASP HB3 . 17157 1 27 . 1 1 6 6 ASP CA C 13 53.894 0.100 2 1 . . . . 6 ASP CA . 17157 1 28 . 1 1 6 6 ASP CB C 13 40.842 0.100 2 1 . . . . 6 ASP CB . 17157 1 29 . 1 1 6 6 ASP N N 15 122.721 0.100 11 1 . . . . 6 ASP N . 17157 1 30 . 1 1 7 7 LYS H H 1 8.231 0.020 11 1 . . . . 7 LYS H . 17157 1 31 . 1 1 7 7 LYS HA H 1 4.425 0.020 3 1 . . . . 7 LYS HA . 17157 1 32 . 1 1 7 7 LYS HB2 H 1 2.104 0.020 2 2 . . . . 7 LYS HB2 . 17157 1 33 . 1 1 7 7 LYS HB3 H 1 1.852 0.020 2 2 . . . . 7 LYS HB3 . 17157 1 34 . 1 1 7 7 LYS HD2 H 1 1.601 0.020 5 2 . . . . 7 LYS HD2 . 17157 1 35 . 1 1 7 7 LYS HD3 H 1 1.604 0.020 4 2 . . . . 7 LYS HD3 . 17157 1 36 . 1 1 7 7 LYS HE2 H 1 3.167 0.020 1 2 . . . . 7 LYS HE2 . 17157 1 37 . 1 1 7 7 LYS HE3 H 1 3.114 0.020 1 2 . . . . 7 LYS HE3 . 17157 1 38 . 1 1 7 7 LYS HG2 H 1 1.595 0.020 2 2 . . . . 7 LYS HG2 . 17157 1 39 . 1 1 7 7 LYS HG3 H 1 1.558 0.020 1 2 . . . . 7 LYS HG3 . 17157 1 40 . 1 1 7 7 LYS CA C 13 56.183 0.100 2 1 . . . . 7 LYS CA . 17157 1 41 . 1 1 7 7 LYS CB C 13 33.035 0.100 5 1 . . . . 7 LYS CB . 17157 1 42 . 1 1 7 7 LYS CD C 13 28.845 0.100 9 1 . . . . 7 LYS CD . 17157 1 43 . 1 1 7 7 LYS CE C 13 42.358 0.100 4 1 . . . . 7 LYS CE . 17157 1 44 . 1 1 7 7 LYS CG C 13 25.859 0.100 5 1 . . . . 7 LYS CG . 17157 1 45 . 1 1 7 7 LYS N N 15 120.937 0.100 11 1 . . . . 7 LYS N . 17157 1 46 . 1 1 8 8 LEU H H 1 8.957 0.020 11 1 . . . . 8 LEU H . 17157 1 47 . 1 1 8 8 LEU HA H 1 3.954 0.020 15 1 . . . . 8 LEU HA . 17157 1 48 . 1 1 8 8 LEU HB2 H 1 1.195 0.020 4 2 . . . . 8 LEU HB2 . 17157 1 49 . 1 1 8 8 LEU HB3 H 1 1.086 0.020 4 2 . . . . 8 LEU HB3 . 17157 1 50 . 1 1 8 8 LEU HD11 H 1 0.905 0.020 2 2 . . . . 8 LEU MD1 . 17157 1 51 . 1 1 8 8 LEU HD12 H 1 0.905 0.020 2 2 . . . . 8 LEU MD1 . 17157 1 52 . 1 1 8 8 LEU HD13 H 1 0.905 0.020 2 2 . . . . 8 LEU MD1 . 17157 1 53 . 1 1 8 8 LEU HD21 H 1 0.768 0.020 2 2 . . . . 8 LEU MD2 . 17157 1 54 . 1 1 8 8 LEU HD22 H 1 0.768 0.020 2 2 . . . . 8 LEU MD2 . 17157 1 55 . 1 1 8 8 LEU HD23 H 1 0.768 0.020 2 2 . . . . 8 LEU MD2 . 17157 1 56 . 1 1 8 8 LEU HG H 1 1.285 0.020 3 1 . . . . 8 LEU HG . 17157 1 57 . 1 1 8 8 LEU CA C 13 55.587 0.100 15 1 . . . . 8 LEU CA . 17157 1 58 . 1 1 8 8 LEU CB C 13 42.371 0.100 5 1 . . . . 8 LEU CB . 17157 1 59 . 1 1 8 8 LEU CD1 C 13 23.979 0.100 1 2 . . . . 8 LEU CD1 . 17157 1 60 . 1 1 8 8 LEU CD2 C 13 23.765 0.100 4 2 . . . . 8 LEU CD2 . 17157 1 61 . 1 1 8 8 LEU CG C 13 26.716 0.100 3 1 . . . . 8 LEU CG . 17157 1 62 . 1 1 8 8 LEU N N 15 123.188 0.100 11 1 . . . . 8 LEU N . 17157 1 63 . 1 1 9 9 TYR H H 1 6.844 0.020 10 1 . . . . 9 TYR H . 17157 1 64 . 1 1 9 9 TYR HA H 1 5.758 0.020 3 1 . . . . 9 TYR HA . 17157 1 65 . 1 1 9 9 TYR HB2 H 1 3.053 0.020 2 2 . . . . 9 TYR HB2 . 17157 1 66 . 1 1 9 9 TYR HB3 H 1 2.639 0.020 3 2 . . . . 9 TYR HB3 . 17157 1 67 . 1 1 9 9 TYR HD1 H 1 7.082 0.020 1 1 . . . . 9 TYR HD1 . 17157 1 68 . 1 1 9 9 TYR HD2 H 1 7.082 0.020 1 1 . . . . 9 TYR HD2 . 17157 1 69 . 1 1 9 9 TYR HE1 H 1 6.757 0.020 1 1 . . . . 9 TYR HE1 . 17157 1 70 . 1 1 9 9 TYR HE2 H 1 6.757 0.020 1 1 . . . . 9 TYR HE2 . 17157 1 71 . 1 1 9 9 TYR CA C 13 53.880 0.100 2 1 . . . . 9 TYR CA . 17157 1 72 . 1 1 9 9 TYR CB C 13 43.155 0.100 3 1 . . . . 9 TYR CB . 17157 1 73 . 1 1 9 9 TYR CD1 C 13 133.144 0.100 1 1 . . . . 9 TYR CD1 . 17157 1 74 . 1 1 9 9 TYR CD2 C 13 133.144 0.100 1 1 . . . . 9 TYR CD2 . 17157 1 75 . 1 1 9 9 TYR CE1 C 13 117.811 0.100 1 1 . . . . 9 TYR CE1 . 17157 1 76 . 1 1 9 9 TYR CE2 C 13 117.811 0.100 1 1 . . . . 9 TYR CE2 . 17157 1 77 . 1 1 9 9 TYR N N 15 110.740 0.100 10 1 . . . . 9 TYR N . 17157 1 78 . 1 1 10 10 ARG H H 1 8.459 0.020 10 1 . . . . 10 ARG H . 17157 1 79 . 1 1 10 10 ARG HA H 1 5.458 0.020 15 1 . . . . 10 ARG HA . 17157 1 80 . 1 1 10 10 ARG HB2 H 1 1.708 0.020 2 2 . . . . 10 ARG HB2 . 17157 1 81 . 1 1 10 10 ARG HB3 H 1 1.650 0.020 2 2 . . . . 10 ARG HB3 . 17157 1 82 . 1 1 10 10 ARG HD2 H 1 3.175 0.020 1 2 . . . . 10 ARG HD2 . 17157 1 83 . 1 1 10 10 ARG HD3 H 1 3.166 0.020 1 2 . . . . 10 ARG HD3 . 17157 1 84 . 1 1 10 10 ARG HG2 H 1 1.513 0.020 1 2 . . . . 10 ARG HG2 . 17157 1 85 . 1 1 10 10 ARG HG3 H 1 1.517 0.020 1 2 . . . . 10 ARG HG3 . 17157 1 86 . 1 1 10 10 ARG CA C 13 54.263 0.100 15 1 . . . . 10 ARG CA . 17157 1 87 . 1 1 10 10 ARG CB C 13 34.324 0.100 3 1 . . . . 10 ARG CB . 17157 1 88 . 1 1 10 10 ARG CD C 13 43.039 0.100 1 1 . . . . 10 ARG CD . 17157 1 89 . 1 1 10 10 ARG CG C 13 27.731 0.100 1 1 . . . . 10 ARG CG . 17157 1 90 . 1 1 10 10 ARG N N 15 120.673 0.100 10 1 . . . . 10 ARG N . 17157 1 91 . 1 1 11 11 VAL H H 1 8.912 0.020 8 1 . . . . 11 VAL H . 17157 1 92 . 1 1 11 11 VAL HA H 1 5.602 0.020 12 1 . . . . 11 VAL HA . 17157 1 93 . 1 1 11 11 VAL HB H 1 2.043 0.020 4 1 . . . . 11 VAL HB . 17157 1 94 . 1 1 11 11 VAL HG11 H 1 1.097 0.020 2 2 . . . . 11 VAL MG1 . 17157 1 95 . 1 1 11 11 VAL HG12 H 1 1.097 0.020 2 2 . . . . 11 VAL MG1 . 17157 1 96 . 1 1 11 11 VAL HG13 H 1 1.097 0.020 2 2 . . . . 11 VAL MG1 . 17157 1 97 . 1 1 11 11 VAL HG21 H 1 0.887 0.020 2 2 . . . . 11 VAL MG2 . 17157 1 98 . 1 1 11 11 VAL HG22 H 1 0.887 0.020 2 2 . . . . 11 VAL MG2 . 17157 1 99 . 1 1 11 11 VAL HG23 H 1 0.887 0.020 2 2 . . . . 11 VAL MG2 . 17157 1 100 . 1 1 11 11 VAL CA C 13 58.173 0.100 12 1 . . . . 11 VAL CA . 17157 1 101 . 1 1 11 11 VAL CB C 13 35.167 0.100 4 1 . . . . 11 VAL CB . 17157 1 102 . 1 1 11 11 VAL CG1 C 13 22.668 0.100 2 2 . . . . 11 VAL CG1 . 17157 1 103 . 1 1 11 11 VAL CG2 C 13 19.642 0.100 2 2 . . . . 11 VAL CG2 . 17157 1 104 . 1 1 11 11 VAL N N 15 122.414 0.100 8 1 . . . . 11 VAL N . 17157 1 105 . 1 1 12 12 GLU H H 1 8.498 0.020 10 1 . . . . 12 GLU H . 17157 1 106 . 1 1 12 12 GLU HA H 1 4.445 0.020 11 1 . . . . 12 GLU HA . 17157 1 107 . 1 1 12 12 GLU HB2 H 1 2.442 0.020 4 2 . . . . 12 GLU HB2 . 17157 1 108 . 1 1 12 12 GLU HB3 H 1 1.859 0.020 4 2 . . . . 12 GLU HB3 . 17157 1 109 . 1 1 12 12 GLU HG2 H 1 2.125 0.020 2 2 . . . . 12 GLU HG2 . 17157 1 110 . 1 1 12 12 GLU HG3 H 1 1.540 0.020 2 2 . . . . 12 GLU HG3 . 17157 1 111 . 1 1 12 12 GLU CA C 13 54.371 0.100 11 1 . . . . 12 GLU CA . 17157 1 112 . 1 1 12 12 GLU CB C 13 31.110 0.100 6 1 . . . . 12 GLU CB . 17157 1 113 . 1 1 12 12 GLU CG C 13 35.489 0.100 3 1 . . . . 12 GLU CG . 17157 1 114 . 1 1 12 12 GLU N N 15 119.507 0.100 10 1 . . . . 12 GLU N . 17157 1 115 . 1 1 13 13 TYR H H 1 7.975 0.020 11 1 . . . . 13 TYR H . 17157 1 116 . 1 1 13 13 TYR HA H 1 4.755 0.020 2 1 . . . . 13 TYR HA . 17157 1 117 . 1 1 13 13 TYR HB2 H 1 2.899 0.020 3 2 . . . . 13 TYR HB2 . 17157 1 118 . 1 1 13 13 TYR HB3 H 1 2.698 0.020 3 2 . . . . 13 TYR HB3 . 17157 1 119 . 1 1 13 13 TYR HD1 H 1 7.071 0.020 1 1 . . . . 13 TYR HD1 . 17157 1 120 . 1 1 13 13 TYR HD2 H 1 7.071 0.020 1 1 . . . . 13 TYR HD2 . 17157 1 121 . 1 1 13 13 TYR HE1 H 1 6.918 0.020 1 1 . . . . 13 TYR HE1 . 17157 1 122 . 1 1 13 13 TYR HE2 H 1 6.918 0.020 1 1 . . . . 13 TYR HE2 . 17157 1 123 . 1 1 13 13 TYR CA C 13 56.969 0.100 2 1 . . . . 13 TYR CA . 17157 1 124 . 1 1 13 13 TYR CB C 13 37.038 0.100 4 1 . . . . 13 TYR CB . 17157 1 125 . 1 1 13 13 TYR CD1 C 13 132.472 0.100 1 1 . . . . 13 TYR CD1 . 17157 1 126 . 1 1 13 13 TYR CD2 C 13 132.472 0.100 1 1 . . . . 13 TYR CD2 . 17157 1 127 . 1 1 13 13 TYR CE1 C 13 117.394 0.100 1 1 . . . . 13 TYR CE1 . 17157 1 128 . 1 1 13 13 TYR CE2 C 13 117.394 0.100 1 1 . . . . 13 TYR CE2 . 17157 1 129 . 1 1 13 13 TYR N N 15 119.360 0.100 11 1 . . . . 13 TYR N . 17157 1 130 . 1 1 14 14 ALA H H 1 9.432 0.020 10 1 . . . . 14 ALA H . 17157 1 131 . 1 1 14 14 ALA HA H 1 3.961 0.020 3 1 . . . . 14 ALA HA . 17157 1 132 . 1 1 14 14 ALA HB1 H 1 1.388 0.020 3 1 . . . . 14 ALA MB . 17157 1 133 . 1 1 14 14 ALA HB2 H 1 1.388 0.020 3 1 . . . . 14 ALA MB . 17157 1 134 . 1 1 14 14 ALA HB3 H 1 1.388 0.020 3 1 . . . . 14 ALA MB . 17157 1 135 . 1 1 14 14 ALA CA C 13 53.463 0.100 2 1 . . . . 14 ALA CA . 17157 1 136 . 1 1 14 14 ALA CB C 13 18.364 0.100 3 1 . . . . 14 ALA CB . 17157 1 137 . 1 1 14 14 ALA N N 15 127.101 0.100 10 1 . . . . 14 ALA N . 17157 1 138 . 1 1 15 15 LYS H H 1 8.211 0.020 7 1 . . . . 15 LYS H . 17157 1 139 . 1 1 15 15 LYS HA H 1 4.122 0.020 16 1 . . . . 15 LYS HA . 17157 1 140 . 1 1 15 15 LYS HB2 H 1 2.035 0.020 1 2 . . . . 15 LYS HB2 . 17157 1 141 . 1 1 15 15 LYS HB3 H 1 1.803 0.020 1 2 . . . . 15 LYS HB3 . 17157 1 142 . 1 1 15 15 LYS HD2 H 1 1.785 0.020 1 2 . . . . 15 LYS HD2 . 17157 1 143 . 1 1 15 15 LYS HD3 H 1 1.787 0.020 1 2 . . . . 15 LYS HD3 . 17157 1 144 . 1 1 15 15 LYS HE2 H 1 3.118 0.020 1 2 . . . . 15 LYS HE2 . 17157 1 145 . 1 1 15 15 LYS HE3 H 1 3.119 0.020 2 2 . . . . 15 LYS HE3 . 17157 1 146 . 1 1 15 15 LYS HG2 H 1 1.656 0.020 1 2 . . . . 15 LYS HG2 . 17157 1 147 . 1 1 15 15 LYS HG3 H 1 1.535 0.020 1 2 . . . . 15 LYS HG3 . 17157 1 148 . 1 1 15 15 LYS CA C 13 57.803 0.100 16 1 . . . . 15 LYS CA . 17157 1 149 . 1 1 15 15 LYS CB C 13 32.565 0.100 3 1 . . . . 15 LYS CB . 17157 1 150 . 1 1 15 15 LYS CD C 13 28.633 0.100 1 1 . . . . 15 LYS CD . 17157 1 151 . 1 1 15 15 LYS CE C 13 41.971 0.100 2 1 . . . . 15 LYS CE . 17157 1 152 . 1 1 15 15 LYS CG C 13 25.187 0.100 1 1 . . . . 15 LYS CG . 17157 1 153 . 1 1 15 15 LYS N N 15 125.077 0.100 7 1 . . . . 15 LYS N . 17157 1 154 . 1 1 16 16 SER H H 1 7.542 0.020 11 1 . . . . 16 SER H . 17157 1 155 . 1 1 16 16 SER HA H 1 4.591 0.020 1 1 . . . . 16 SER HA . 17157 1 156 . 1 1 16 16 SER HB2 H 1 4.041 0.020 2 2 . . . . 16 SER HB2 . 17157 1 157 . 1 1 16 16 SER HB3 H 1 3.799 0.020 2 2 . . . . 16 SER HB3 . 17157 1 158 . 1 1 16 16 SER CA C 13 55.651 0.100 1 1 . . . . 16 SER CA . 17157 1 159 . 1 1 16 16 SER CB C 13 65.759 0.100 3 1 . . . . 16 SER CB . 17157 1 160 . 1 1 16 16 SER N N 15 110.126 0.100 11 1 . . . . 16 SER N . 17157 1 161 . 1 1 17 17 GLY HA2 H 1 5.045 0.020 3 2 . . . . 17 GLY HA2 . 17157 1 162 . 1 1 17 17 GLY HA3 H 1 3.739 0.020 2 2 . . . . 17 GLY HA3 . 17157 1 163 . 1 1 17 17 GLY CA C 13 45.188 0.100 3 1 . . . . 17 GLY CA . 17157 1 164 . 1 1 18 18 ARG H H 1 7.511 0.020 9 1 . . . . 18 ARG H . 17157 1 165 . 1 1 18 18 ARG HA H 1 4.196 0.020 12 1 . . . . 18 ARG HA . 17157 1 166 . 1 1 18 18 ARG HB2 H 1 1.992 0.020 2 2 . . . . 18 ARG HB2 . 17157 1 167 . 1 1 18 18 ARG HB3 H 1 1.759 0.020 3 2 . . . . 18 ARG HB3 . 17157 1 168 . 1 1 18 18 ARG HD2 H 1 3.256 0.020 2 1 . . . . 18 ARG HD2 . 17157 1 169 . 1 1 18 18 ARG HD3 H 1 3.256 0.020 2 1 . . . . 18 ARG HD3 . 17157 1 170 . 1 1 18 18 ARG HG2 H 1 1.693 0.020 2 2 . . . . 18 ARG HG2 . 17157 1 171 . 1 1 18 18 ARG HG3 H 1 1.643 0.020 2 2 . . . . 18 ARG HG3 . 17157 1 172 . 1 1 18 18 ARG CA C 13 56.785 0.100 13 1 . . . . 18 ARG CA . 17157 1 173 . 1 1 18 18 ARG CB C 13 30.917 0.100 3 1 . . . . 18 ARG CB . 17157 1 174 . 1 1 18 18 ARG CD C 13 42.894 0.100 3 1 . . . . 18 ARG CD . 17157 1 175 . 1 1 18 18 ARG CG C 13 27.282 0.100 3 1 . . . . 18 ARG CG . 17157 1 176 . 1 1 18 18 ARG N N 15 115.789 0.100 9 1 . . . . 18 ARG N . 17157 1 177 . 1 1 19 19 ALA H H 1 8.521 0.020 7 1 . . . . 19 ALA H . 17157 1 178 . 1 1 19 19 ALA HA H 1 4.507 0.020 3 1 . . . . 19 ALA HA . 17157 1 179 . 1 1 19 19 ALA HB1 H 1 1.248 0.020 4 1 . . . . 19 ALA MB . 17157 1 180 . 1 1 19 19 ALA HB2 H 1 1.248 0.020 4 1 . . . . 19 ALA MB . 17157 1 181 . 1 1 19 19 ALA HB3 H 1 1.248 0.020 4 1 . . . . 19 ALA MB . 17157 1 182 . 1 1 19 19 ALA CA C 13 51.646 0.100 3 1 . . . . 19 ALA CA . 17157 1 183 . 1 1 19 19 ALA CB C 13 19.919 0.100 4 1 . . . . 19 ALA CB . 17157 1 184 . 1 1 19 19 ALA N N 15 123.834 0.100 7 1 . . . . 19 ALA N . 17157 1 185 . 1 1 20 20 SER H H 1 8.327 0.020 8 1 . . . . 20 SER H . 17157 1 186 . 1 1 20 20 SER HA H 1 4.537 0.020 3 1 . . . . 20 SER HA . 17157 1 187 . 1 1 20 20 SER HB2 H 1 3.526 0.020 2 2 . . . . 20 SER HB2 . 17157 1 188 . 1 1 20 20 SER HB3 H 1 3.505 0.020 2 2 . . . . 20 SER HB3 . 17157 1 189 . 1 1 20 20 SER CA C 13 56.457 0.100 4 1 . . . . 20 SER CA . 17157 1 190 . 1 1 20 20 SER CB C 13 64.230 0.100 3 1 . . . . 20 SER CB . 17157 1 191 . 1 1 20 20 SER N N 15 115.552 0.100 8 1 . . . . 20 SER N . 17157 1 192 . 1 1 21 21 CYS H H 1 8.254 0.020 9 1 . . . . 21 CYS H . 17157 1 193 . 1 1 21 21 CYS HA H 1 4.343 0.020 2 1 . . . . 21 CYS HA . 17157 1 194 . 1 1 21 21 CYS HB2 H 1 3.535 0.020 3 2 . . . . 21 CYS HB2 . 17157 1 195 . 1 1 21 21 CYS HB3 H 1 2.157 0.020 2 2 . . . . 21 CYS HB3 . 17157 1 196 . 1 1 21 21 CYS CA C 13 58.104 0.100 3 1 . . . . 21 CYS CA . 17157 1 197 . 1 1 21 21 CYS CB C 13 31.430 0.100 2 1 . . . . 21 CYS CB . 17157 1 198 . 1 1 21 21 CYS N N 15 125.709 0.100 9 1 . . . . 21 CYS N . 17157 1 199 . 1 1 22 22 LYS H H 1 8.533 0.020 9 1 . . . . 22 LYS H . 17157 1 200 . 1 1 22 22 LYS HA H 1 3.980 0.020 18 1 . . . . 22 LYS HA . 17157 1 201 . 1 1 22 22 LYS HB2 H 1 1.381 0.020 4 2 . . . . 22 LYS HB2 . 17157 1 202 . 1 1 22 22 LYS HB3 H 1 1.166 0.020 4 2 . . . . 22 LYS HB3 . 17157 1 203 . 1 1 22 22 LYS HD2 H 1 1.518 0.020 2 2 . . . . 22 LYS HD2 . 17157 1 204 . 1 1 22 22 LYS HD3 H 1 1.477 0.020 2 2 . . . . 22 LYS HD3 . 17157 1 205 . 1 1 22 22 LYS HE2 H 1 2.647 0.020 2 2 . . . . 22 LYS HE2 . 17157 1 206 . 1 1 22 22 LYS HE3 H 1 2.422 0.020 2 2 . . . . 22 LYS HE3 . 17157 1 207 . 1 1 22 22 LYS HG2 H 1 1.384 0.020 1 2 . . . . 22 LYS HG2 . 17157 1 208 . 1 1 22 22 LYS HG3 H 1 1.177 0.020 2 2 . . . . 22 LYS HG3 . 17157 1 209 . 1 1 22 22 LYS CA C 13 56.644 0.100 17 1 . . . . 22 LYS CA . 17157 1 210 . 1 1 22 22 LYS CB C 13 30.831 0.100 5 1 . . . . 22 LYS CB . 17157 1 211 . 1 1 22 22 LYS CD C 13 27.678 0.100 3 1 . . . . 22 LYS CD . 17157 1 212 . 1 1 22 22 LYS CE C 13 41.324 0.100 3 1 . . . . 22 LYS CE . 17157 1 213 . 1 1 22 22 LYS CG C 13 24.175 0.100 2 1 . . . . 22 LYS CG . 17157 1 214 . 1 1 22 22 LYS N N 15 129.571 0.100 9 1 . . . . 22 LYS N . 17157 1 215 . 1 1 23 23 LYS H H 1 8.843 0.020 11 1 . . . . 23 LYS H . 17157 1 216 . 1 1 23 23 LYS HA H 1 4.751 0.020 19 1 . . . . 23 LYS HA . 17157 1 217 . 1 1 23 23 LYS HB2 H 1 2.357 0.020 2 2 . . . . 23 LYS HB2 . 17157 1 218 . 1 1 23 23 LYS HB3 H 1 2.080 0.020 2 2 . . . . 23 LYS HB3 . 17157 1 219 . 1 1 23 23 LYS HD2 H 1 1.986 0.020 2 2 . . . . 23 LYS HD2 . 17157 1 220 . 1 1 23 23 LYS HD3 H 1 1.817 0.020 2 2 . . . . 23 LYS HD3 . 17157 1 221 . 1 1 23 23 LYS HE2 H 1 3.008 0.020 1 2 . . . . 23 LYS HE2 . 17157 1 222 . 1 1 23 23 LYS HE3 H 1 3.010 0.020 1 2 . . . . 23 LYS HE3 . 17157 1 223 . 1 1 23 23 LYS HG2 H 1 1.603 0.020 2 1 . . . . 23 LYS HG2 . 17157 1 224 . 1 1 23 23 LYS HG3 H 1 1.603 0.020 2 1 . . . . 23 LYS HG3 . 17157 1 225 . 1 1 23 23 LYS CA C 13 57.562 0.100 19 1 . . . . 23 LYS CA . 17157 1 226 . 1 1 23 23 LYS CB C 13 33.606 0.100 3 1 . . . . 23 LYS CB . 17157 1 227 . 1 1 23 23 LYS CD C 13 28.101 0.100 3 1 . . . . 23 LYS CD . 17157 1 228 . 1 1 23 23 LYS CE C 13 42.226 0.100 1 1 . . . . 23 LYS CE . 17157 1 229 . 1 1 23 23 LYS CG C 13 24.503 0.100 1 1 . . . . 23 LYS CG . 17157 1 230 . 1 1 23 23 LYS N N 15 120.796 0.100 11 1 . . . . 23 LYS N . 17157 1 231 . 1 1 24 24 CYS H H 1 8.135 0.020 8 1 . . . . 24 CYS H . 17157 1 232 . 1 1 24 24 CYS HA H 1 5.095 0.020 2 1 . . . . 24 CYS HA . 17157 1 233 . 1 1 24 24 CYS HB2 H 1 3.560 0.020 1 2 . . . . 24 CYS HB2 . 17157 1 234 . 1 1 24 24 CYS HB3 H 1 3.016 0.020 2 2 . . . . 24 CYS HB3 . 17157 1 235 . 1 1 24 24 CYS CA C 13 58.896 0.100 3 1 . . . . 24 CYS CA . 17157 1 236 . 1 1 24 24 CYS CB C 13 31.507 0.100 3 1 . . . . 24 CYS CB . 17157 1 237 . 1 1 24 24 CYS N N 15 116.749 0.100 8 1 . . . . 24 CYS N . 17157 1 238 . 1 1 25 25 SER H H 1 8.098 0.020 7 1 . . . . 25 SER H . 17157 1 239 . 1 1 25 25 SER HA H 1 4.313 0.020 3 1 . . . . 25 SER HA . 17157 1 240 . 1 1 25 25 SER HB3 H 1 4.133 0.020 1 2 . . . . 25 SER HB3 . 17157 1 241 . 1 1 25 25 SER CA C 13 61.038 0.100 2 1 . . . . 25 SER CA . 17157 1 242 . 1 1 25 25 SER CB C 13 62.273 0.100 3 1 . . . . 25 SER CB . 17157 1 243 . 1 1 25 25 SER N N 15 115.676 0.100 7 1 . . . . 25 SER N . 17157 1 244 . 1 1 26 26 GLU H H 1 8.359 0.020 6 1 . . . . 26 GLU H . 17157 1 245 . 1 1 26 26 GLU HA H 1 4.794 0.020 7 1 . . . . 26 GLU HA . 17157 1 246 . 1 1 26 26 GLU HB2 H 1 2.415 0.020 3 2 . . . . 26 GLU HB2 . 17157 1 247 . 1 1 26 26 GLU HB3 H 1 2.304 0.020 3 2 . . . . 26 GLU HB3 . 17157 1 248 . 1 1 26 26 GLU HG2 H 1 2.576 0.020 5 2 . . . . 26 GLU HG2 . 17157 1 249 . 1 1 26 26 GLU HG3 H 1 2.433 0.020 5 2 . . . . 26 GLU HG3 . 17157 1 250 . 1 1 26 26 GLU CA C 13 55.137 0.100 10 1 . . . . 26 GLU CA . 17157 1 251 . 1 1 26 26 GLU CB C 13 30.768 0.100 6 1 . . . . 26 GLU CB . 17157 1 252 . 1 1 26 26 GLU CG C 13 35.948 0.100 11 1 . . . . 26 GLU CG . 17157 1 253 . 1 1 26 26 GLU N N 15 121.043 0.100 6 1 . . . . 26 GLU N . 17157 1 254 . 1 1 27 27 SER H H 1 8.922 0.020 11 1 . . . . 27 SER H . 17157 1 255 . 1 1 27 27 SER HA H 1 4.472 0.020 3 1 . . . . 27 SER HA . 17157 1 256 . 1 1 27 27 SER HB2 H 1 3.853 0.020 2 2 . . . . 27 SER HB2 . 17157 1 257 . 1 1 27 27 SER HB3 H 1 3.854 0.020 2 2 . . . . 27 SER HB3 . 17157 1 258 . 1 1 27 27 SER CA C 13 59.258 0.100 3 1 . . . . 27 SER CA . 17157 1 259 . 1 1 27 27 SER CB C 13 63.444 0.100 2 1 . . . . 27 SER CB . 17157 1 260 . 1 1 27 27 SER N N 15 116.799 0.100 11 1 . . . . 27 SER N . 17157 1 261 . 1 1 28 28 ILE H H 1 8.374 0.020 10 1 . . . . 28 ILE H . 17157 1 262 . 1 1 28 28 ILE HA H 1 4.371 0.020 9 1 . . . . 28 ILE HA . 17157 1 263 . 1 1 28 28 ILE HB H 1 1.535 0.020 14 1 . . . . 28 ILE HB . 17157 1 264 . 1 1 28 28 ILE HD11 H 1 0.394 0.020 3 1 . . . . 28 ILE MD . 17157 1 265 . 1 1 28 28 ILE HD12 H 1 0.394 0.020 3 1 . . . . 28 ILE MD . 17157 1 266 . 1 1 28 28 ILE HD13 H 1 0.394 0.020 3 1 . . . . 28 ILE MD . 17157 1 267 . 1 1 28 28 ILE HG12 H 1 1.237 0.020 1 2 . . . . 28 ILE HG12 . 17157 1 268 . 1 1 28 28 ILE HG13 H 1 -0.076 0.020 2 2 . . . . 28 ILE HG13 . 17157 1 269 . 1 1 28 28 ILE HG21 H 1 0.764 0.020 2 1 . . . . 28 ILE MG . 17157 1 270 . 1 1 28 28 ILE HG22 H 1 0.764 0.020 2 1 . . . . 28 ILE MG . 17157 1 271 . 1 1 28 28 ILE HG23 H 1 0.764 0.020 2 1 . . . . 28 ILE MG . 17157 1 272 . 1 1 28 28 ILE CA C 13 58.279 0.100 11 1 . . . . 28 ILE CA . 17157 1 273 . 1 1 28 28 ILE CB C 13 38.081 0.100 14 1 . . . . 28 ILE CB . 17157 1 274 . 1 1 28 28 ILE CD1 C 13 14.431 0.100 3 1 . . . . 28 ILE CD1 . 17157 1 275 . 1 1 28 28 ILE CG1 C 13 26.352 0.100 2 1 . . . . 28 ILE CG1 . 17157 1 276 . 1 1 28 28 ILE CG2 C 13 17.584 0.100 2 1 . . . . 28 ILE CG2 . 17157 1 277 . 1 1 28 28 ILE N N 15 127.260 0.100 10 1 . . . . 28 ILE N . 17157 1 278 . 1 1 29 29 PRO HA H 1 4.517 0.020 14 1 . . . . 29 PRO HA . 17157 1 279 . 1 1 29 29 PRO HB2 H 1 2.479 0.020 3 2 . . . . 29 PRO HB2 . 17157 1 280 . 1 1 29 29 PRO HB3 H 1 1.929 0.020 2 2 . . . . 29 PRO HB3 . 17157 1 281 . 1 1 29 29 PRO HD2 H 1 4.344 0.020 2 2 . . . . 29 PRO HD2 . 17157 1 282 . 1 1 29 29 PRO HD3 H 1 3.928 0.020 2 2 . . . . 29 PRO HD3 . 17157 1 283 . 1 1 29 29 PRO HG2 H 1 2.165 0.020 1 2 . . . . 29 PRO HG2 . 17157 1 284 . 1 1 29 29 PRO HG3 H 1 2.123 0.020 1 2 . . . . 29 PRO HG3 . 17157 1 285 . 1 1 29 29 PRO CA C 13 62.441 0.100 14 1 . . . . 29 PRO CA . 17157 1 286 . 1 1 29 29 PRO CB C 13 32.420 0.100 3 1 . . . . 29 PRO CB . 17157 1 287 . 1 1 29 29 PRO CD C 13 51.295 0.100 3 1 . . . . 29 PRO CD . 17157 1 288 . 1 1 29 29 PRO CG C 13 27.082 0.100 1 1 . . . . 29 PRO CG . 17157 1 289 . 1 1 30 30 LYS H H 1 8.746 0.020 11 1 . . . . 30 LYS H . 17157 1 290 . 1 1 30 30 LYS HA H 1 3.459 0.020 18 1 . . . . 30 LYS HA . 17157 1 291 . 1 1 30 30 LYS HB2 H 1 1.659 0.020 3 2 . . . . 30 LYS HB2 . 17157 1 292 . 1 1 30 30 LYS HB3 H 1 1.507 0.020 3 2 . . . . 30 LYS HB3 . 17157 1 293 . 1 1 30 30 LYS HD2 H 1 1.745 0.020 1 2 . . . . 30 LYS HD2 . 17157 1 294 . 1 1 30 30 LYS HD3 H 1 1.643 0.020 1 2 . . . . 30 LYS HD3 . 17157 1 295 . 1 1 30 30 LYS HE2 H 1 3.045 0.020 1 2 . . . . 30 LYS HE2 . 17157 1 296 . 1 1 30 30 LYS HE3 H 1 3.051 0.020 1 2 . . . . 30 LYS HE3 . 17157 1 297 . 1 1 30 30 LYS HG2 H 1 1.461 0.020 1 2 . . . . 30 LYS HG2 . 17157 1 298 . 1 1 30 30 LYS HG3 H 1 1.095 0.020 2 2 . . . . 30 LYS HG3 . 17157 1 299 . 1 1 30 30 LYS CA C 13 58.300 0.100 18 1 . . . . 30 LYS CA . 17157 1 300 . 1 1 30 30 LYS CB C 13 32.356 0.100 4 1 . . . . 30 LYS CB . 17157 1 301 . 1 1 30 30 LYS CD C 13 29.125 0.100 1 1 . . . . 30 LYS CD . 17157 1 302 . 1 1 30 30 LYS CE C 13 41.789 0.100 1 1 . . . . 30 LYS CE . 17157 1 303 . 1 1 30 30 LYS CG C 13 24.674 0.100 2 1 . . . . 30 LYS CG . 17157 1 304 . 1 1 30 30 LYS N N 15 124.319 0.100 11 1 . . . . 30 LYS N . 17157 1 305 . 1 1 31 31 ASP H H 1 9.429 0.020 10 1 . . . . 31 ASP H . 17157 1 306 . 1 1 31 31 ASP HA H 1 4.188 0.020 1 1 . . . . 31 ASP HA . 17157 1 307 . 1 1 31 31 ASP HB2 H 1 3.257 0.020 1 2 . . . . 31 ASP HB2 . 17157 1 308 . 1 1 31 31 ASP HB3 H 1 2.837 0.020 2 2 . . . . 31 ASP HB3 . 17157 1 309 . 1 1 31 31 ASP CA C 13 57.466 0.100 1 1 . . . . 31 ASP CA . 17157 1 310 . 1 1 31 31 ASP CB C 13 39.166 0.100 3 1 . . . . 31 ASP CB . 17157 1 311 . 1 1 31 31 ASP N N 15 120.353 0.100 10 1 . . . . 31 ASP N . 17157 1 312 . 1 1 32 32 SER H H 1 7.892 0.020 8 1 . . . . 32 SER H . 17157 1 313 . 1 1 32 32 SER HA H 1 4.655 0.020 2 1 . . . . 32 SER HA . 17157 1 314 . 1 1 32 32 SER HB2 H 1 4.142 0.020 2 2 . . . . 32 SER HB2 . 17157 1 315 . 1 1 32 32 SER HB3 H 1 4.014 0.020 2 2 . . . . 32 SER HB3 . 17157 1 316 . 1 1 32 32 SER CA C 13 58.385 0.100 4 1 . . . . 32 SER CA . 17157 1 317 . 1 1 32 32 SER CB C 13 64.675 0.100 4 1 . . . . 32 SER CB . 17157 1 318 . 1 1 32 32 SER N N 15 116.024 0.100 8 1 . . . . 32 SER N . 17157 1 319 . 1 1 33 33 LEU H H 1 8.908 0.020 8 1 . . . . 33 LEU H . 17157 1 320 . 1 1 33 33 LEU HA H 1 4.537 0.020 9 1 . . . . 33 LEU HA . 17157 1 321 . 1 1 33 33 LEU HB2 H 1 1.764 0.020 7 2 . . . . 33 LEU HB2 . 17157 1 322 . 1 1 33 33 LEU HB3 H 1 1.581 0.020 7 2 . . . . 33 LEU HB3 . 17157 1 323 . 1 1 33 33 LEU HD11 H 1 0.327 0.020 2 2 . . . . 33 LEU MD1 . 17157 1 324 . 1 1 33 33 LEU HD12 H 1 0.327 0.020 2 2 . . . . 33 LEU MD1 . 17157 1 325 . 1 1 33 33 LEU HD13 H 1 0.327 0.020 2 2 . . . . 33 LEU MD1 . 17157 1 326 . 1 1 33 33 LEU HD21 H 1 0.477 0.020 2 2 . . . . 33 LEU MD2 . 17157 1 327 . 1 1 33 33 LEU HD22 H 1 0.477 0.020 2 2 . . . . 33 LEU MD2 . 17157 1 328 . 1 1 33 33 LEU HD23 H 1 0.477 0.020 2 2 . . . . 33 LEU MD2 . 17157 1 329 . 1 1 33 33 LEU HG H 1 1.361 0.020 1 1 . . . . 33 LEU HG . 17157 1 330 . 1 1 33 33 LEU CA C 13 55.681 0.100 10 1 . . . . 33 LEU CA . 17157 1 331 . 1 1 33 33 LEU CB C 13 42.693 0.100 14 1 . . . . 33 LEU CB . 17157 1 332 . 1 1 33 33 LEU CD1 C 13 25.590 0.100 1 2 . . . . 33 LEU CD1 . 17157 1 333 . 1 1 33 33 LEU CD2 C 13 25.084 0.100 3 2 . . . . 33 LEU CD2 . 17157 1 334 . 1 1 33 33 LEU CG C 13 26.582 0.100 2 1 . . . . 33 LEU CG . 17157 1 335 . 1 1 33 33 LEU N N 15 123.485 0.100 8 1 . . . . 33 LEU N . 17157 1 336 . 1 1 34 34 ARG H H 1 9.381 0.020 9 1 . . . . 34 ARG H . 17157 1 337 . 1 1 34 34 ARG HA H 1 5.544 0.020 15 1 . . . . 34 ARG HA . 17157 1 338 . 1 1 34 34 ARG HB2 H 1 2.011 0.020 2 2 . . . . 34 ARG HB2 . 17157 1 339 . 1 1 34 34 ARG HB3 H 1 1.886 0.020 2 2 . . . . 34 ARG HB3 . 17157 1 340 . 1 1 34 34 ARG HD2 H 1 2.516 0.020 2 2 . . . . 34 ARG HD2 . 17157 1 341 . 1 1 34 34 ARG HD3 H 1 1.863 0.020 2 2 . . . . 34 ARG HD3 . 17157 1 342 . 1 1 34 34 ARG HG2 H 1 1.563 0.020 1 2 . . . . 34 ARG HG2 . 17157 1 343 . 1 1 34 34 ARG HG3 H 1 1.482 0.020 1 2 . . . . 34 ARG HG3 . 17157 1 344 . 1 1 34 34 ARG CA C 13 53.529 0.100 14 1 . . . . 34 ARG CA . 17157 1 345 . 1 1 34 34 ARG CB C 13 33.871 0.100 2 1 . . . . 34 ARG CB . 17157 1 346 . 1 1 34 34 ARG CD C 13 44.059 0.100 3 1 . . . . 34 ARG CD . 17157 1 347 . 1 1 34 34 ARG CG C 13 24.202 0.100 1 1 . . . . 34 ARG CG . 17157 1 348 . 1 1 34 34 ARG N N 15 124.523 0.100 9 1 . . . . 34 ARG N . 17157 1 349 . 1 1 35 35 MET H H 1 8.660 0.020 7 1 . . . . 35 MET H . 17157 1 350 . 1 1 35 35 MET HA H 1 5.720 0.020 11 1 . . . . 35 MET HA . 17157 1 351 . 1 1 35 35 MET HB2 H 1 1.291 0.020 3 2 . . . . 35 MET HB2 . 17157 1 352 . 1 1 35 35 MET HB3 H 1 1.230 0.020 3 2 . . . . 35 MET HB3 . 17157 1 353 . 1 1 35 35 MET HE1 H 1 1.102 0.020 1 1 . . . . 35 MET ME . 17157 1 354 . 1 1 35 35 MET HE2 H 1 1.102 0.020 1 1 . . . . 35 MET ME . 17157 1 355 . 1 1 35 35 MET HE3 H 1 1.102 0.020 1 1 . . . . 35 MET ME . 17157 1 356 . 1 1 35 35 MET HG2 H 1 2.119 0.020 1 2 . . . . 35 MET HG2 . 17157 1 357 . 1 1 35 35 MET HG3 H 1 1.831 0.020 1 2 . . . . 35 MET HG3 . 17157 1 358 . 1 1 35 35 MET CA C 13 53.120 0.100 11 1 . . . . 35 MET CA . 17157 1 359 . 1 1 35 35 MET CB C 13 37.155 0.100 5 1 . . . . 35 MET CB . 17157 1 360 . 1 1 35 35 MET CE C 13 15.648 0.100 1 1 . . . . 35 MET CE . 17157 1 361 . 1 1 35 35 MET CG C 13 31.997 0.100 1 1 . . . . 35 MET CG . 17157 1 362 . 1 1 35 35 MET N N 15 119.411 0.100 7 1 . . . . 35 MET N . 17157 1 363 . 1 1 36 36 ALA H H 1 9.409 0.020 6 1 . . . . 36 ALA H . 17157 1 364 . 1 1 36 36 ALA HA H 1 5.821 0.020 2 1 . . . . 36 ALA HA . 17157 1 365 . 1 1 36 36 ALA HB1 H 1 -0.012 0.020 2 1 . . . . 36 ALA MB . 17157 1 366 . 1 1 36 36 ALA HB2 H 1 -0.012 0.020 2 1 . . . . 36 ALA MB . 17157 1 367 . 1 1 36 36 ALA HB3 H 1 -0.012 0.020 2 1 . . . . 36 ALA MB . 17157 1 368 . 1 1 36 36 ALA CA C 13 49.282 0.100 2 1 . . . . 36 ALA CA . 17157 1 369 . 1 1 36 36 ALA CB C 13 21.414 0.100 3 1 . . . . 36 ALA CB . 17157 1 370 . 1 1 36 36 ALA N N 15 124.306 0.100 6 1 . . . . 36 ALA N . 17157 1 371 . 1 1 37 37 ILE H H 1 8.008 0.020 6 1 . . . . 37 ILE H . 17157 1 372 . 1 1 37 37 ILE HA H 1 4.721 0.020 13 1 . . . . 37 ILE HA . 17157 1 373 . 1 1 37 37 ILE HB H 1 1.731 0.020 7 1 . . . . 37 ILE HB . 17157 1 374 . 1 1 37 37 ILE HD11 H 1 0.730 0.020 2 1 . . . . 37 ILE MD . 17157 1 375 . 1 1 37 37 ILE HD12 H 1 0.730 0.020 2 1 . . . . 37 ILE MD . 17157 1 376 . 1 1 37 37 ILE HD13 H 1 0.730 0.020 2 1 . . . . 37 ILE MD . 17157 1 377 . 1 1 37 37 ILE HG12 H 1 1.737 0.020 1 2 . . . . 37 ILE HG12 . 17157 1 378 . 1 1 37 37 ILE HG13 H 1 1.060 0.020 2 2 . . . . 37 ILE HG13 . 17157 1 379 . 1 1 37 37 ILE HG21 H 1 0.986 0.020 2 1 . . . . 37 ILE MG . 17157 1 380 . 1 1 37 37 ILE HG22 H 1 0.986 0.020 2 1 . . . . 37 ILE MG . 17157 1 381 . 1 1 37 37 ILE HG23 H 1 0.986 0.020 2 1 . . . . 37 ILE MG . 17157 1 382 . 1 1 37 37 ILE CA C 13 59.729 0.100 15 1 . . . . 37 ILE CA . 17157 1 383 . 1 1 37 37 ILE CB C 13 40.732 0.100 9 1 . . . . 37 ILE CB . 17157 1 384 . 1 1 37 37 ILE CD1 C 13 13.062 0.100 3 1 . . . . 37 ILE CD1 . 17157 1 385 . 1 1 37 37 ILE CG1 C 13 28.426 0.100 3 1 . . . . 37 ILE CG1 . 17157 1 386 . 1 1 37 37 ILE CG2 C 13 16.288 0.100 3 1 . . . . 37 ILE CG2 . 17157 1 387 . 1 1 37 37 ILE N N 15 117.035 0.100 6 1 . . . . 37 ILE N . 17157 1 388 . 1 1 38 38 MET H H 1 8.218 0.020 5 1 . . . . 38 MET H . 17157 1 389 . 1 1 38 38 MET HA H 1 4.800 0.020 10 1 . . . . 38 MET HA . 17157 1 390 . 1 1 38 38 MET HB2 H 1 1.911 0.020 2 2 . . . . 38 MET HB2 . 17157 1 391 . 1 1 38 38 MET HB3 H 1 1.441 0.020 2 2 . . . . 38 MET HB3 . 17157 1 392 . 1 1 38 38 MET HE1 H 1 1.645 0.020 1 1 . . . . 38 MET ME . 17157 1 393 . 1 1 38 38 MET HE2 H 1 1.645 0.020 1 1 . . . . 38 MET ME . 17157 1 394 . 1 1 38 38 MET HE3 H 1 1.645 0.020 1 1 . . . . 38 MET ME . 17157 1 395 . 1 1 38 38 MET HG2 H 1 2.601 0.020 2 2 . . . . 38 MET HG2 . 17157 1 396 . 1 1 38 38 MET HG3 H 1 1.959 0.020 1 2 . . . . 38 MET HG3 . 17157 1 397 . 1 1 38 38 MET CA C 13 52.172 0.100 11 1 . . . . 38 MET CA . 17157 1 398 . 1 1 38 38 MET CB C 13 29.512 0.100 2 1 . . . . 38 MET CB . 17157 1 399 . 1 1 38 38 MET CE C 13 15.238 0.100 1 1 . . . . 38 MET CE . 17157 1 400 . 1 1 38 38 MET CG C 13 30.634 0.100 2 1 . . . . 38 MET CG . 17157 1 401 . 1 1 38 38 MET N N 15 125.143 0.100 5 1 . . . . 38 MET N . 17157 1 402 . 1 1 39 39 VAL H H 1 8.732 0.020 9 1 . . . . 39 VAL H . 17157 1 403 . 1 1 39 39 VAL HA H 1 4.267 0.020 3 1 . . . . 39 VAL HA . 17157 1 404 . 1 1 39 39 VAL HB H 1 1.660 0.020 12 1 . . . . 39 VAL HB . 17157 1 405 . 1 1 39 39 VAL HG11 H 1 0.738 0.020 2 2 . . . . 39 VAL MG1 . 17157 1 406 . 1 1 39 39 VAL HG12 H 1 0.738 0.020 2 2 . . . . 39 VAL MG1 . 17157 1 407 . 1 1 39 39 VAL HG13 H 1 0.738 0.020 2 2 . . . . 39 VAL MG1 . 17157 1 408 . 1 1 39 39 VAL HG21 H 1 0.286 0.020 2 2 . . . . 39 VAL MG2 . 17157 1 409 . 1 1 39 39 VAL HG22 H 1 0.286 0.020 2 2 . . . . 39 VAL MG2 . 17157 1 410 . 1 1 39 39 VAL HG23 H 1 0.286 0.020 2 2 . . . . 39 VAL MG2 . 17157 1 411 . 1 1 39 39 VAL CA C 13 60.142 0.100 4 1 . . . . 39 VAL CA . 17157 1 412 . 1 1 39 39 VAL CB C 13 34.341 0.100 11 1 . . . . 39 VAL CB . 17157 1 413 . 1 1 39 39 VAL CG1 C 13 20.655 0.100 2 2 . . . . 39 VAL CG1 . 17157 1 414 . 1 1 39 39 VAL CG2 C 13 18.733 0.100 2 2 . . . . 39 VAL CG2 . 17157 1 415 . 1 1 39 39 VAL N N 15 123.069 0.100 9 1 . . . . 39 VAL N . 17157 1 416 . 1 1 40 40 GLN H H 1 8.569 0.020 6 1 . . . . 40 GLN H . 17157 1 417 . 1 1 40 40 GLN HA H 1 4.273 0.020 6 1 . . . . 40 GLN HA . 17157 1 418 . 1 1 40 40 GLN HB2 H 1 2.001 0.020 2 2 . . . . 40 GLN HB2 . 17157 1 419 . 1 1 40 40 GLN HB3 H 1 1.996 0.020 1 2 . . . . 40 GLN HB3 . 17157 1 420 . 1 1 40 40 GLN HG2 H 1 2.381 0.020 1 2 . . . . 40 GLN HG2 . 17157 1 421 . 1 1 40 40 GLN HG3 H 1 2.379 0.020 1 2 . . . . 40 GLN HG3 . 17157 1 422 . 1 1 40 40 GLN CA C 13 55.662 0.100 4 1 . . . . 40 GLN CA . 17157 1 423 . 1 1 40 40 GLN CB C 13 28.922 0.100 2 1 . . . . 40 GLN CB . 17157 1 424 . 1 1 40 40 GLN CG C 13 32.859 0.100 2 1 . . . . 40 GLN CG . 17157 1 425 . 1 1 40 40 GLN N N 15 124.147 0.100 6 1 . . . . 40 GLN N . 17157 1 426 . 1 1 41 41 SER H H 1 8.840 0.020 10 1 . . . . 41 SER H . 17157 1 427 . 1 1 41 41 SER HA H 1 4.828 0.020 1 1 . . . . 41 SER HA . 17157 1 428 . 1 1 41 41 SER HB2 H 1 3.842 0.020 2 2 . . . . 41 SER HB2 . 17157 1 429 . 1 1 41 41 SER HB3 H 1 3.714 0.020 2 2 . . . . 41 SER HB3 . 17157 1 430 . 1 1 41 41 SER CA C 13 55.047 0.100 1 1 . . . . 41 SER CA . 17157 1 431 . 1 1 41 41 SER CB C 13 64.228 0.100 3 1 . . . . 41 SER CB . 17157 1 432 . 1 1 41 41 SER N N 15 121.884 0.100 10 1 . . . . 41 SER N . 17157 1 433 . 1 1 42 42 PRO HA H 1 4.583 0.020 14 1 . . . . 42 PRO HA . 17157 1 434 . 1 1 42 42 PRO HB2 H 1 2.404 0.020 3 2 . . . . 42 PRO HB2 . 17157 1 435 . 1 1 42 42 PRO HB3 H 1 2.033 0.020 3 2 . . . . 42 PRO HB3 . 17157 1 436 . 1 1 42 42 PRO HD2 H 1 3.938 0.020 2 2 . . . . 42 PRO HD2 . 17157 1 437 . 1 1 42 42 PRO HD3 H 1 3.937 0.020 2 2 . . . . 42 PRO HD3 . 17157 1 438 . 1 1 42 42 PRO HG2 H 1 2.135 0.020 2 2 . . . . 42 PRO HG2 . 17157 1 439 . 1 1 42 42 PRO HG3 H 1 2.045 0.020 1 2 . . . . 42 PRO HG3 . 17157 1 440 . 1 1 42 42 PRO CA C 13 63.607 0.100 14 1 . . . . 42 PRO CA . 17157 1 441 . 1 1 42 42 PRO CB C 13 31.764 0.100 3 1 . . . . 42 PRO CB . 17157 1 442 . 1 1 42 42 PRO CD C 13 50.626 0.100 3 1 . . . . 42 PRO CD . 17157 1 443 . 1 1 42 42 PRO CG C 13 26.891 0.100 3 1 . . . . 42 PRO CG . 17157 1 444 . 1 1 43 43 MET H H 1 8.120 0.020 11 1 . . . . 43 MET H . 17157 1 445 . 1 1 43 43 MET HA H 1 4.462 0.020 9 1 . . . . 43 MET HA . 17157 1 446 . 1 1 43 43 MET HB2 H 1 2.027 0.020 2 2 . . . . 43 MET HB2 . 17157 1 447 . 1 1 43 43 MET HB3 H 1 1.868 0.020 2 2 . . . . 43 MET HB3 . 17157 1 448 . 1 1 43 43 MET HE1 H 1 2.132 0.020 1 1 . . . . 43 MET ME . 17157 1 449 . 1 1 43 43 MET HE2 H 1 2.132 0.020 1 1 . . . . 43 MET ME . 17157 1 450 . 1 1 43 43 MET HE3 H 1 2.132 0.020 1 1 . . . . 43 MET ME . 17157 1 451 . 1 1 43 43 MET HG2 H 1 2.555 0.020 3 2 . . . . 43 MET HG2 . 17157 1 452 . 1 1 43 43 MET HG3 H 1 2.400 0.020 3 2 . . . . 43 MET HG3 . 17157 1 453 . 1 1 43 43 MET CA C 13 55.359 0.100 9 1 . . . . 43 MET CA . 17157 1 454 . 1 1 43 43 MET CB C 13 32.702 0.100 3 1 . . . . 43 MET CB . 17157 1 455 . 1 1 43 43 MET CE C 13 16.552 0.100 1 1 . . . . 43 MET CE . 17157 1 456 . 1 1 43 43 MET CG C 13 32.030 0.100 7 1 . . . . 43 MET CG . 17157 1 457 . 1 1 43 43 MET N N 15 115.262 0.100 11 1 . . . . 43 MET N . 17157 1 458 . 1 1 44 44 PHE H H 1 7.590 0.020 6 1 . . . . 44 PHE H . 17157 1 459 . 1 1 44 44 PHE HA H 1 4.758 0.020 2 1 . . . . 44 PHE HA . 17157 1 460 . 1 1 44 44 PHE HB2 H 1 3.305 0.020 3 2 . . . . 44 PHE HB2 . 17157 1 461 . 1 1 44 44 PHE HB3 H 1 3.042 0.020 3 2 . . . . 44 PHE HB3 . 17157 1 462 . 1 1 44 44 PHE HD1 H 1 7.179 0.020 1 1 . . . . 44 PHE HD1 . 17157 1 463 . 1 1 44 44 PHE HD2 H 1 7.179 0.020 1 1 . . . . 44 PHE HD2 . 17157 1 464 . 1 1 44 44 PHE HE1 H 1 7.353 0.020 1 1 . . . . 44 PHE HE1 . 17157 1 465 . 1 1 44 44 PHE HE2 H 1 7.353 0.020 1 1 . . . . 44 PHE HE2 . 17157 1 466 . 1 1 44 44 PHE HZ H 1 7.292 0.020 1 1 . . . . 44 PHE HZ . 17157 1 467 . 1 1 44 44 PHE CA C 13 56.317 0.100 3 1 . . . . 44 PHE CA . 17157 1 468 . 1 1 44 44 PHE CB C 13 39.659 0.100 3 1 . . . . 44 PHE CB . 17157 1 469 . 1 1 44 44 PHE CD1 C 13 131.992 0.100 1 1 . . . . 44 PHE CD1 . 17157 1 470 . 1 1 44 44 PHE CD2 C 13 131.992 0.100 1 1 . . . . 44 PHE CD2 . 17157 1 471 . 1 1 44 44 PHE CE1 C 13 130.940 0.100 1 1 . . . . 44 PHE CE1 . 17157 1 472 . 1 1 44 44 PHE CE2 C 13 130.940 0.100 1 1 . . . . 44 PHE CE2 . 17157 1 473 . 1 1 44 44 PHE CZ C 13 129.402 0.100 1 1 . . . . 44 PHE CZ . 17157 1 474 . 1 1 44 44 PHE N N 15 116.651 0.100 6 1 . . . . 44 PHE N . 17157 1 475 . 1 1 45 45 ASP H H 1 8.446 0.020 9 1 . . . . 45 ASP H . 17157 1 476 . 1 1 45 45 ASP HA H 1 4.714 0.020 3 1 . . . . 45 ASP HA . 17157 1 477 . 1 1 45 45 ASP HB2 H 1 2.776 0.020 2 2 . . . . 45 ASP HB2 . 17157 1 478 . 1 1 45 45 ASP HB3 H 1 2.661 0.020 2 2 . . . . 45 ASP HB3 . 17157 1 479 . 1 1 45 45 ASP CA C 13 53.650 0.100 3 1 . . . . 45 ASP CA . 17157 1 480 . 1 1 45 45 ASP CB C 13 39.895 0.100 4 1 . . . . 45 ASP CB . 17157 1 481 . 1 1 45 45 ASP N N 15 119.546 0.100 9 1 . . . . 45 ASP N . 17157 1 482 . 1 1 46 46 GLY H H 1 7.905 0.020 7 1 . . . . 46 GLY H . 17157 1 483 . 1 1 46 46 GLY HA2 H 1 4.078 0.020 1 1 . . . . 46 GLY HA2 . 17157 1 484 . 1 1 46 46 GLY HA3 H 1 4.078 0.020 1 1 . . . . 46 GLY HA3 . 17157 1 485 . 1 1 46 46 GLY CA C 13 44.420 0.100 2 1 . . . . 46 GLY CA . 17157 1 486 . 1 1 46 46 GLY N N 15 110.250 0.100 7 1 . . . . 46 GLY N . 17157 1 487 . 1 1 47 47 LYS H H 1 8.350 0.020 7 1 . . . . 47 LYS H . 17157 1 488 . 1 1 47 47 LYS HA H 1 4.868 0.020 16 1 . . . . 47 LYS HA . 17157 1 489 . 1 1 47 47 LYS HB2 H 1 1.622 0.020 3 2 . . . . 47 LYS HB2 . 17157 1 490 . 1 1 47 47 LYS HB3 H 1 1.355 0.020 3 2 . . . . 47 LYS HB3 . 17157 1 491 . 1 1 47 47 LYS HD2 H 1 1.435 0.020 2 1 . . . . 47 LYS HD2 . 17157 1 492 . 1 1 47 47 LYS HD3 H 1 1.435 0.020 2 1 . . . . 47 LYS HD3 . 17157 1 493 . 1 1 47 47 LYS HE2 H 1 2.885 0.020 2 1 . . . . 47 LYS HE2 . 17157 1 494 . 1 1 47 47 LYS HE3 H 1 2.885 0.020 2 1 . . . . 47 LYS HE3 . 17157 1 495 . 1 1 47 47 LYS HG2 H 1 1.435 0.020 1 2 . . . . 47 LYS HG2 . 17157 1 496 . 1 1 47 47 LYS HG3 H 1 1.092 0.020 3 2 . . . . 47 LYS HG3 . 17157 1 497 . 1 1 47 47 LYS CA C 13 54.828 0.100 17 1 . . . . 47 LYS CA . 17157 1 498 . 1 1 47 47 LYS CB C 13 35.067 0.100 5 1 . . . . 47 LYS CB . 17157 1 499 . 1 1 47 47 LYS CD C 13 28.888 0.100 3 1 . . . . 47 LYS CD . 17157 1 500 . 1 1 47 47 LYS CE C 13 41.945 0.100 4 1 . . . . 47 LYS CE . 17157 1 501 . 1 1 47 47 LYS CG C 13 25.172 0.100 3 1 . . . . 47 LYS CG . 17157 1 502 . 1 1 47 47 LYS N N 15 118.597 0.100 7 1 . . . . 47 LYS N . 17157 1 503 . 1 1 48 48 VAL H H 1 9.058 0.020 8 1 . . . . 48 VAL H . 17157 1 504 . 1 1 48 48 VAL HA H 1 4.732 0.020 7 1 . . . . 48 VAL HA . 17157 1 505 . 1 1 48 48 VAL HB H 1 2.134 0.020 7 1 . . . . 48 VAL HB . 17157 1 506 . 1 1 48 48 VAL HG11 H 1 0.951 0.020 2 2 . . . . 48 VAL MG1 . 17157 1 507 . 1 1 48 48 VAL HG12 H 1 0.951 0.020 2 2 . . . . 48 VAL MG1 . 17157 1 508 . 1 1 48 48 VAL HG13 H 1 0.951 0.020 2 2 . . . . 48 VAL MG1 . 17157 1 509 . 1 1 48 48 VAL HG21 H 1 0.867 0.020 2 2 . . . . 48 VAL MG2 . 17157 1 510 . 1 1 48 48 VAL HG22 H 1 0.867 0.020 2 2 . . . . 48 VAL MG2 . 17157 1 511 . 1 1 48 48 VAL HG23 H 1 0.867 0.020 2 2 . . . . 48 VAL MG2 . 17157 1 512 . 1 1 48 48 VAL CA C 13 57.350 0.100 7 1 . . . . 48 VAL CA . 17157 1 513 . 1 1 48 48 VAL CB C 13 33.959 0.100 7 1 . . . . 48 VAL CB . 17157 1 514 . 1 1 48 48 VAL CG1 C 13 21.157 0.100 2 2 . . . . 48 VAL CG1 . 17157 1 515 . 1 1 48 48 VAL CG2 C 13 18.828 0.100 2 2 . . . . 48 VAL CG2 . 17157 1 516 . 1 1 48 48 VAL N N 15 118.116 0.100 8 1 . . . . 48 VAL N . 17157 1 517 . 1 1 49 49 PRO HA H 1 4.587 0.020 11 1 . . . . 49 PRO HA . 17157 1 518 . 1 1 49 49 PRO HB2 H 1 1.096 0.020 5 2 . . . . 49 PRO HB2 . 17157 1 519 . 1 1 49 49 PRO HB3 H 1 0.340 0.020 5 2 . . . . 49 PRO HB3 . 17157 1 520 . 1 1 49 49 PRO HD2 H 1 3.824 0.020 2 2 . . . . 49 PRO HD2 . 17157 1 521 . 1 1 49 49 PRO HD3 H 1 3.595 0.020 2 2 . . . . 49 PRO HD3 . 17157 1 522 . 1 1 49 49 PRO HG2 H 1 2.257 0.020 2 2 . . . . 49 PRO HG2 . 17157 1 523 . 1 1 49 49 PRO HG3 H 1 1.998 0.020 2 2 . . . . 49 PRO HG3 . 17157 1 524 . 1 1 49 49 PRO CA C 13 62.065 0.100 11 1 . . . . 49 PRO CA . 17157 1 525 . 1 1 49 49 PRO CB C 13 30.869 0.100 7 1 . . . . 49 PRO CB . 17157 1 526 . 1 1 49 49 PRO CD C 13 50.125 0.100 3 1 . . . . 49 PRO CD . 17157 1 527 . 1 1 49 49 PRO CG C 13 26.888 0.100 3 1 . . . . 49 PRO CG . 17157 1 528 . 1 1 50 50 HIS H H 1 8.816 0.020 11 1 . . . . 50 HIS H . 17157 1 529 . 1 1 50 50 HIS HA H 1 4.790 0.020 2 1 . . . . 50 HIS HA . 17157 1 530 . 1 1 50 50 HIS HB2 H 1 3.516 0.020 2 2 . . . . 50 HIS HB2 . 17157 1 531 . 1 1 50 50 HIS HB3 H 1 2.760 0.020 2 2 . . . . 50 HIS HB3 . 17157 1 532 . 1 1 50 50 HIS HD2 H 1 6.859 0.020 1 1 . . . . 50 HIS HD2 . 17157 1 533 . 1 1 50 50 HIS HE1 H 1 7.801 0.020 1 1 . . . . 50 HIS HE1 . 17157 1 534 . 1 1 50 50 HIS CA C 13 54.114 0.100 2 1 . . . . 50 HIS CA . 17157 1 535 . 1 1 50 50 HIS CB C 13 31.465 0.100 4 1 . . . . 50 HIS CB . 17157 1 536 . 1 1 50 50 HIS CD2 C 13 116.935 0.100 1 1 . . . . 50 HIS CD2 . 17157 1 537 . 1 1 50 50 HIS CE1 C 13 137.840 0.100 1 1 . . . . 50 HIS CE1 . 17157 1 538 . 1 1 50 50 HIS N N 15 124.998 0.100 11 1 . . . . 50 HIS N . 17157 1 539 . 1 1 51 51 TRP H H 1 8.190 0.020 9 1 . . . . 51 TRP H . 17157 1 540 . 1 1 51 51 TRP HA H 1 5.074 0.020 3 1 . . . . 51 TRP HA . 17157 1 541 . 1 1 51 51 TRP HB2 H 1 3.003 0.020 2 2 . . . . 51 TRP HB2 . 17157 1 542 . 1 1 51 51 TRP HB3 H 1 2.856 0.020 2 2 . . . . 51 TRP HB3 . 17157 1 543 . 1 1 51 51 TRP HD1 H 1 7.297 0.020 1 1 . . . . 51 TRP HD1 . 17157 1 544 . 1 1 51 51 TRP HE1 H 1 10.298 0.020 1 1 . . . . 51 TRP HE1 . 17157 1 545 . 1 1 51 51 TRP HE3 H 1 7.323 0.020 1 1 . . . . 51 TRP HE3 . 17157 1 546 . 1 1 51 51 TRP HH2 H 1 6.786 0.020 1 1 . . . . 51 TRP HH2 . 17157 1 547 . 1 1 51 51 TRP HZ2 H 1 7.426 0.020 1 1 . . . . 51 TRP HZ2 . 17157 1 548 . 1 1 51 51 TRP HZ3 H 1 6.736 0.020 1 1 . . . . 51 TRP HZ3 . 17157 1 549 . 1 1 51 51 TRP CA C 13 57.178 0.100 3 1 . . . . 51 TRP CA . 17157 1 550 . 1 1 51 51 TRP CB C 13 32.127 0.100 4 1 . . . . 51 TRP CB . 17157 1 551 . 1 1 51 51 TRP CD1 C 13 127.858 0.100 1 1 . . . . 51 TRP CD1 . 17157 1 552 . 1 1 51 51 TRP CE3 C 13 119.442 0.100 1 1 . . . . 51 TRP CE3 . 17157 1 553 . 1 1 51 51 TRP CH2 C 13 122.840 0.100 1 1 . . . . 51 TRP CH2 . 17157 1 554 . 1 1 51 51 TRP CZ2 C 13 114.704 0.100 1 1 . . . . 51 TRP CZ2 . 17157 1 555 . 1 1 51 51 TRP CZ3 C 13 121.537 0.100 1 1 . . . . 51 TRP CZ3 . 17157 1 556 . 1 1 51 51 TRP N N 15 121.062 0.100 9 1 . . . . 51 TRP N . 17157 1 557 . 1 1 51 51 TRP NE1 N 15 130.093 0.100 1 1 . . . . 51 TRP NE1 . 17157 1 558 . 1 1 52 52 TYR H H 1 9.572 0.020 9 1 . . . . 52 TYR H . 17157 1 559 . 1 1 52 52 TYR HA H 1 5.913 0.020 2 1 . . . . 52 TYR HA . 17157 1 560 . 1 1 52 52 TYR HB2 H 1 3.397 0.020 2 2 . . . . 52 TYR HB2 . 17157 1 561 . 1 1 52 52 TYR HB3 H 1 3.016 0.020 2 2 . . . . 52 TYR HB3 . 17157 1 562 . 1 1 52 52 TYR HD1 H 1 7.400 0.020 1 1 . . . . 52 TYR HD1 . 17157 1 563 . 1 1 52 52 TYR HD2 H 1 7.400 0.020 1 1 . . . . 52 TYR HD2 . 17157 1 564 . 1 1 52 52 TYR HE1 H 1 6.752 0.020 1 1 . . . . 52 TYR HE1 . 17157 1 565 . 1 1 52 52 TYR HE2 H 1 6.752 0.020 1 1 . . . . 52 TYR HE2 . 17157 1 566 . 1 1 52 52 TYR CA C 13 56.272 0.100 2 1 . . . . 52 TYR CA . 17157 1 567 . 1 1 52 52 TYR CB C 13 42.903 0.100 4 1 . . . . 52 TYR CB . 17157 1 568 . 1 1 52 52 TYR CD1 C 13 133.462 0.100 1 1 . . . . 52 TYR CD1 . 17157 1 569 . 1 1 52 52 TYR CD2 C 13 133.462 0.100 1 1 . . . . 52 TYR CD2 . 17157 1 570 . 1 1 52 52 TYR CE1 C 13 118.373 0.100 1 1 . . . . 52 TYR CE1 . 17157 1 571 . 1 1 52 52 TYR CE2 C 13 118.373 0.100 1 1 . . . . 52 TYR CE2 . 17157 1 572 . 1 1 52 52 TYR N N 15 116.106 0.100 9 1 . . . . 52 TYR N . 17157 1 573 . 1 1 53 53 HIS H H 1 8.880 0.020 7 1 . . . . 53 HIS H . 17157 1 574 . 1 1 53 53 HIS HA H 1 4.783 0.020 3 1 . . . . 53 HIS HA . 17157 1 575 . 1 1 53 53 HIS HB2 H 1 3.974 0.020 2 2 . . . . 53 HIS HB2 . 17157 1 576 . 1 1 53 53 HIS HB3 H 1 3.807 0.020 2 2 . . . . 53 HIS HB3 . 17157 1 577 . 1 1 53 53 HIS HD2 H 1 7.924 0.020 1 1 . . . . 53 HIS HD2 . 17157 1 578 . 1 1 53 53 HIS HE1 H 1 7.439 0.020 1 1 . . . . 53 HIS HE1 . 17157 1 579 . 1 1 53 53 HIS CA C 13 59.711 0.100 3 1 . . . . 53 HIS CA . 17157 1 580 . 1 1 53 53 HIS CB C 13 31.319 0.100 3 1 . . . . 53 HIS CB . 17157 1 581 . 1 1 53 53 HIS CD2 C 13 118.686 0.100 1 1 . . . . 53 HIS CD2 . 17157 1 582 . 1 1 53 53 HIS CE1 C 13 139.201 0.100 1 1 . . . . 53 HIS CE1 . 17157 1 583 . 1 1 53 53 HIS N N 15 119.082 0.100 7 1 . . . . 53 HIS N . 17157 1 584 . 1 1 54 54 PHE H H 1 8.600 0.020 8 1 . . . . 54 PHE H . 17157 1 585 . 1 1 54 54 PHE HA H 1 4.079 0.020 2 1 . . . . 54 PHE HA . 17157 1 586 . 1 1 54 54 PHE HB2 H 1 3.478 0.020 2 2 . . . . 54 PHE HB2 . 17157 1 587 . 1 1 54 54 PHE HB3 H 1 3.276 0.020 2 2 . . . . 54 PHE HB3 . 17157 1 588 . 1 1 54 54 PHE HD1 H 1 7.406 0.020 1 1 . . . . 54 PHE HD1 . 17157 1 589 . 1 1 54 54 PHE HD2 H 1 7.406 0.020 1 1 . . . . 54 PHE HD2 . 17157 1 590 . 1 1 54 54 PHE HE1 H 1 7.572 0.020 1 1 . . . . 54 PHE HE1 . 17157 1 591 . 1 1 54 54 PHE HE2 H 1 7.572 0.020 1 1 . . . . 54 PHE HE2 . 17157 1 592 . 1 1 54 54 PHE HZ H 1 7.288 0.020 1 1 . . . . 54 PHE HZ . 17157 1 593 . 1 1 54 54 PHE CA C 13 63.534 0.100 2 1 . . . . 54 PHE CA . 17157 1 594 . 1 1 54 54 PHE CB C 13 39.103 0.100 4 1 . . . . 54 PHE CB . 17157 1 595 . 1 1 54 54 PHE CD1 C 13 132.524 0.100 1 1 . . . . 54 PHE CD1 . 17157 1 596 . 1 1 54 54 PHE CD2 C 13 132.524 0.100 1 1 . . . . 54 PHE CD2 . 17157 1 597 . 1 1 54 54 PHE CE1 C 13 131.299 0.100 1 1 . . . . 54 PHE CE1 . 17157 1 598 . 1 1 54 54 PHE CE2 C 13 131.299 0.100 1 1 . . . . 54 PHE CE2 . 17157 1 599 . 1 1 54 54 PHE CZ C 13 128.995 0.100 1 1 . . . . 54 PHE CZ . 17157 1 600 . 1 1 54 54 PHE N N 15 123.313 0.100 8 1 . . . . 54 PHE N . 17157 1 601 . 1 1 55 55 SER H H 1 9.280 0.020 7 1 . . . . 55 SER H . 17157 1 602 . 1 1 55 55 SER HA H 1 4.323 0.020 1 1 . . . . 55 SER HA . 17157 1 603 . 1 1 55 55 SER HB2 H 1 4.210 0.020 1 2 . . . . 55 SER HB2 . 17157 1 604 . 1 1 55 55 SER HB3 H 1 4.207 0.020 1 2 . . . . 55 SER HB3 . 17157 1 605 . 1 1 55 55 SER CA C 13 61.371 0.100 2 1 . . . . 55 SER CA . 17157 1 606 . 1 1 55 55 SER CB C 13 62.114 0.100 2 1 . . . . 55 SER CB . 17157 1 607 . 1 1 55 55 SER N N 15 109.789 0.100 7 1 . . . . 55 SER N . 17157 1 608 . 1 1 56 56 CYS H H 1 7.066 0.020 8 1 . . . . 56 CYS H . 17157 1 609 . 1 1 56 56 CYS HA H 1 4.052 0.020 1 1 . . . . 56 CYS HA . 17157 1 610 . 1 1 56 56 CYS HB2 H 1 3.421 0.020 2 2 . . . . 56 CYS HB2 . 17157 1 611 . 1 1 56 56 CYS HB3 H 1 3.199 0.020 2 2 . . . . 56 CYS HB3 . 17157 1 612 . 1 1 56 56 CYS CA C 13 62.880 0.100 1 1 . . . . 56 CYS CA . 17157 1 613 . 1 1 56 56 CYS CB C 13 30.908 0.100 3 1 . . . . 56 CYS CB . 17157 1 614 . 1 1 56 56 CYS N N 15 119.994 0.100 8 1 . . . . 56 CYS N . 17157 1 615 . 1 1 57 57 PHE H H 1 8.104 0.020 6 1 . . . . 57 PHE H . 17157 1 616 . 1 1 57 57 PHE HA H 1 3.184 0.020 3 1 . . . . 57 PHE HA . 17157 1 617 . 1 1 57 57 PHE HB2 H 1 2.736 0.020 2 2 . . . . 57 PHE HB2 . 17157 1 618 . 1 1 57 57 PHE HB3 H 1 2.378 0.020 2 2 . . . . 57 PHE HB3 . 17157 1 619 . 1 1 57 57 PHE HD1 H 1 5.407 0.020 1 1 . . . . 57 PHE HD1 . 17157 1 620 . 1 1 57 57 PHE HD2 H 1 5.407 0.020 1 1 . . . . 57 PHE HD2 . 17157 1 621 . 1 1 57 57 PHE HE1 H 1 6.098 0.020 1 1 . . . . 57 PHE HE1 . 17157 1 622 . 1 1 57 57 PHE HE2 H 1 6.098 0.020 1 1 . . . . 57 PHE HE2 . 17157 1 623 . 1 1 57 57 PHE HZ H 1 6.180 0.020 1 1 . . . . 57 PHE HZ . 17157 1 624 . 1 1 57 57 PHE CA C 13 61.090 0.100 3 1 . . . . 57 PHE CA . 17157 1 625 . 1 1 57 57 PHE CB C 13 39.108 0.100 3 1 . . . . 57 PHE CB . 17157 1 626 . 1 1 57 57 PHE CD1 C 13 131.263 0.100 1 1 . . . . 57 PHE CD1 . 17157 1 627 . 1 1 57 57 PHE CD2 C 13 131.263 0.100 1 1 . . . . 57 PHE CD2 . 17157 1 628 . 1 1 57 57 PHE CE1 C 13 129.746 0.100 1 1 . . . . 57 PHE CE1 . 17157 1 629 . 1 1 57 57 PHE CE2 C 13 129.746 0.100 1 1 . . . . 57 PHE CE2 . 17157 1 630 . 1 1 57 57 PHE CZ C 13 128.459 0.100 1 1 . . . . 57 PHE CZ . 17157 1 631 . 1 1 57 57 PHE N N 15 118.136 0.100 6 1 . . . . 57 PHE N . 17157 1 632 . 1 1 58 58 TRP H H 1 6.612 0.020 8 1 . . . . 58 TRP H . 17157 1 633 . 1 1 58 58 TRP HA H 1 4.144 0.020 2 1 . . . . 58 TRP HA . 17157 1 634 . 1 1 58 58 TRP HB2 H 1 3.655 0.020 2 2 . . . . 58 TRP HB2 . 17157 1 635 . 1 1 58 58 TRP HB3 H 1 2.903 0.020 2 2 . . . . 58 TRP HB3 . 17157 1 636 . 1 1 58 58 TRP HD1 H 1 7.123 0.020 1 1 . . . . 58 TRP HD1 . 17157 1 637 . 1 1 58 58 TRP HE1 H 1 6.883 0.020 1 1 . . . . 58 TRP HE1 . 17157 1 638 . 1 1 58 58 TRP HE3 H 1 7.785 0.020 1 1 . . . . 58 TRP HE3 . 17157 1 639 . 1 1 58 58 TRP HH2 H 1 6.865 0.020 1 1 . . . . 58 TRP HH2 . 17157 1 640 . 1 1 58 58 TRP HZ2 H 1 7.104 0.020 1 1 . . . . 58 TRP HZ2 . 17157 1 641 . 1 1 58 58 TRP HZ3 H 1 7.133 0.020 1 1 . . . . 58 TRP HZ3 . 17157 1 642 . 1 1 58 58 TRP CA C 13 56.748 0.100 2 1 . . . . 58 TRP CA . 17157 1 643 . 1 1 58 58 TRP CB C 13 28.502 0.100 3 1 . . . . 58 TRP CB . 17157 1 644 . 1 1 58 58 TRP CD1 C 13 129.334 0.100 1 1 . . . . 58 TRP CD1 . 17157 1 645 . 1 1 58 58 TRP CE3 C 13 121.303 0.100 1 1 . . . . 58 TRP CE3 . 17157 1 646 . 1 1 58 58 TRP CH2 C 13 123.320 0.100 1 1 . . . . 58 TRP CH2 . 17157 1 647 . 1 1 58 58 TRP CZ2 C 13 112.356 0.100 1 1 . . . . 58 TRP CZ2 . 17157 1 648 . 1 1 58 58 TRP CZ3 C 13 121.641 0.100 1 1 . . . . 58 TRP CZ3 . 17157 1 649 . 1 1 58 58 TRP N N 15 115.189 0.100 8 1 . . . . 58 TRP N . 17157 1 650 . 1 1 58 58 TRP NE1 N 15 125.981 0.100 1 1 . . . . 58 TRP NE1 . 17157 1 651 . 1 1 59 59 LYS H H 1 7.618 0.020 6 1 . . . . 59 LYS H . 17157 1 652 . 1 1 59 59 LYS HA H 1 4.376 0.020 4 1 . . . . 59 LYS HA . 17157 1 653 . 1 1 59 59 LYS HB2 H 1 2.111 0.020 3 2 . . . . 59 LYS HB2 . 17157 1 654 . 1 1 59 59 LYS HB3 H 1 1.931 0.020 3 2 . . . . 59 LYS HB3 . 17157 1 655 . 1 1 59 59 LYS HD2 H 1 1.833 0.020 7 2 . . . . 59 LYS HD2 . 17157 1 656 . 1 1 59 59 LYS HD3 H 1 1.727 0.020 7 2 . . . . 59 LYS HD3 . 17157 1 657 . 1 1 59 59 LYS HE2 H 1 3.074 0.020 1 2 . . . . 59 LYS HE2 . 17157 1 658 . 1 1 59 59 LYS HE3 H 1 3.082 0.020 1 2 . . . . 59 LYS HE3 . 17157 1 659 . 1 1 59 59 LYS HG2 H 1 1.714 0.020 6 2 . . . . 59 LYS HG2 . 17157 1 660 . 1 1 59 59 LYS HG3 H 1 1.565 0.020 6 2 . . . . 59 LYS HG3 . 17157 1 661 . 1 1 59 59 LYS CA C 13 56.592 0.100 4 1 . . . . 59 LYS CA . 17157 1 662 . 1 1 59 59 LYS CB C 13 32.571 0.100 3 1 . . . . 59 LYS CB . 17157 1 663 . 1 1 59 59 LYS CD C 13 29.036 0.100 12 1 . . . . 59 LYS CD . 17157 1 664 . 1 1 59 59 LYS CE C 13 42.035 0.100 1 1 . . . . 59 LYS CE . 17157 1 665 . 1 1 59 59 LYS CG C 13 25.016 0.100 14 1 . . . . 59 LYS CG . 17157 1 666 . 1 1 59 59 LYS N N 15 117.687 0.100 6 1 . . . . 59 LYS N . 17157 1 667 . 1 1 60 60 VAL H H 1 7.141 0.020 7 1 . . . . 60 VAL H . 17157 1 668 . 1 1 60 60 VAL HA H 1 4.047 0.020 11 1 . . . . 60 VAL HA . 17157 1 669 . 1 1 60 60 VAL HB H 1 1.881 0.020 2 1 . . . . 60 VAL HB . 17157 1 670 . 1 1 60 60 VAL HG11 H 1 0.763 0.020 2 2 . . . . 60 VAL MG1 . 17157 1 671 . 1 1 60 60 VAL HG12 H 1 0.763 0.020 2 2 . . . . 60 VAL MG1 . 17157 1 672 . 1 1 60 60 VAL HG13 H 1 0.763 0.020 2 2 . . . . 60 VAL MG1 . 17157 1 673 . 1 1 60 60 VAL HG21 H 1 0.560 0.020 2 2 . . . . 60 VAL MG2 . 17157 1 674 . 1 1 60 60 VAL HG22 H 1 0.560 0.020 2 2 . . . . 60 VAL MG2 . 17157 1 675 . 1 1 60 60 VAL HG23 H 1 0.560 0.020 2 2 . . . . 60 VAL MG2 . 17157 1 676 . 1 1 60 60 VAL CA C 13 62.526 0.100 11 1 . . . . 60 VAL CA . 17157 1 677 . 1 1 60 60 VAL CB C 13 31.355 0.100 2 1 . . . . 60 VAL CB . 17157 1 678 . 1 1 60 60 VAL CG1 C 13 20.965 0.100 2 2 . . . . 60 VAL CG1 . 17157 1 679 . 1 1 60 60 VAL CG2 C 13 20.236 0.100 2 2 . . . . 60 VAL CG2 . 17157 1 680 . 1 1 60 60 VAL N N 15 114.880 0.100 7 1 . . . . 60 VAL N . 17157 1 681 . 1 1 61 61 GLY H H 1 7.533 0.020 4 1 . . . . 61 GLY H . 17157 1 682 . 1 1 61 61 GLY HA2 H 1 3.980 0.020 2 2 . . . . 61 GLY HA2 . 17157 1 683 . 1 1 61 61 GLY HA3 H 1 3.675 0.020 2 2 . . . . 61 GLY HA3 . 17157 1 684 . 1 1 61 61 GLY CA C 13 45.441 0.100 2 1 . . . . 61 GLY CA . 17157 1 685 . 1 1 61 61 GLY N N 15 106.929 0.100 4 1 . . . . 61 GLY N . 17157 1 686 . 1 1 62 62 HIS H H 1 7.520 0.020 7 1 . . . . 62 HIS H . 17157 1 687 . 1 1 62 62 HIS HA H 1 4.556 0.020 1 1 . . . . 62 HIS HA . 17157 1 688 . 1 1 62 62 HIS HB2 H 1 2.759 0.020 2 2 . . . . 62 HIS HB2 . 17157 1 689 . 1 1 62 62 HIS HB3 H 1 2.287 0.020 2 2 . . . . 62 HIS HB3 . 17157 1 690 . 1 1 62 62 HIS HD2 H 1 6.295 0.020 1 1 . . . . 62 HIS HD2 . 17157 1 691 . 1 1 62 62 HIS HE1 H 1 7.509 0.020 1 1 . . . . 62 HIS HE1 . 17157 1 692 . 1 1 62 62 HIS CA C 13 55.811 0.100 1 1 . . . . 62 HIS CA . 17157 1 693 . 1 1 62 62 HIS CB C 13 31.086 0.100 3 1 . . . . 62 HIS CB . 17157 1 694 . 1 1 62 62 HIS CD2 C 13 119.275 0.100 1 1 . . . . 62 HIS CD2 . 17157 1 695 . 1 1 62 62 HIS CE1 C 13 137.387 0.100 1 1 . . . . 62 HIS CE1 . 17157 1 696 . 1 1 62 62 HIS N N 15 120.006 0.100 7 1 . . . . 62 HIS N . 17157 1 697 . 1 1 63 63 SER H H 1 8.542 0.020 8 1 . . . . 63 SER H . 17157 1 698 . 1 1 63 63 SER HA H 1 4.731 0.020 1 1 . . . . 63 SER HA . 17157 1 699 . 1 1 63 63 SER HB2 H 1 3.830 0.020 2 2 . . . . 63 SER HB2 . 17157 1 700 . 1 1 63 63 SER HB3 H 1 3.827 0.020 1 2 . . . . 63 SER HB3 . 17157 1 701 . 1 1 63 63 SER CA C 13 56.867 0.100 2 1 . . . . 63 SER CA . 17157 1 702 . 1 1 63 63 SER CB C 13 63.721 0.100 2 1 . . . . 63 SER CB . 17157 1 703 . 1 1 63 63 SER N N 15 117.081 0.100 8 1 . . . . 63 SER N . 17157 1 704 . 1 1 64 64 ILE H H 1 8.917 0.020 7 1 . . . . 64 ILE H . 17157 1 705 . 1 1 64 64 ILE HA H 1 4.239 0.020 14 1 . . . . 64 ILE HA . 17157 1 706 . 1 1 64 64 ILE HB H 1 1.740 0.020 4 1 . . . . 64 ILE HB . 17157 1 707 . 1 1 64 64 ILE HD11 H 1 0.073 0.020 3 1 . . . . 64 ILE MD . 17157 1 708 . 1 1 64 64 ILE HD12 H 1 0.073 0.020 3 1 . . . . 64 ILE MD . 17157 1 709 . 1 1 64 64 ILE HD13 H 1 0.073 0.020 3 1 . . . . 64 ILE MD . 17157 1 710 . 1 1 64 64 ILE HG12 H 1 1.219 0.020 3 2 . . . . 64 ILE HG12 . 17157 1 711 . 1 1 64 64 ILE HG13 H 1 0.630 0.020 3 2 . . . . 64 ILE HG13 . 17157 1 712 . 1 1 64 64 ILE HG21 H 1 0.587 0.020 9 1 . . . . 64 ILE MG . 17157 1 713 . 1 1 64 64 ILE HG22 H 1 0.587 0.020 9 1 . . . . 64 ILE MG . 17157 1 714 . 1 1 64 64 ILE HG23 H 1 0.587 0.020 9 1 . . . . 64 ILE MG . 17157 1 715 . 1 1 64 64 ILE CA C 13 60.408 0.100 15 1 . . . . 64 ILE CA . 17157 1 716 . 1 1 64 64 ILE CB C 13 39.942 0.100 3 1 . . . . 64 ILE CB . 17157 1 717 . 1 1 64 64 ILE CD1 C 13 12.805 0.100 2 1 . . . . 64 ILE CD1 . 17157 1 718 . 1 1 64 64 ILE CG1 C 13 26.870 0.100 3 1 . . . . 64 ILE CG1 . 17157 1 719 . 1 1 64 64 ILE CG2 C 13 17.264 0.100 8 1 . . . . 64 ILE CG2 . 17157 1 720 . 1 1 64 64 ILE N N 15 126.224 0.100 7 1 . . . . 64 ILE N . 17157 1 721 . 1 1 65 65 ARG H H 1 9.033 0.020 7 1 . . . . 65 ARG H . 17157 1 722 . 1 1 65 65 ARG HA H 1 4.266 0.020 14 1 . . . . 65 ARG HA . 17157 1 723 . 1 1 65 65 ARG HB2 H 1 1.756 0.020 4 2 . . . . 65 ARG HB2 . 17157 1 724 . 1 1 65 65 ARG HB3 H 1 1.528 0.020 4 2 . . . . 65 ARG HB3 . 17157 1 725 . 1 1 65 65 ARG HD2 H 1 3.197 0.020 1 1 . . . . 65 ARG HD2 . 17157 1 726 . 1 1 65 65 ARG HD3 H 1 3.197 0.020 1 1 . . . . 65 ARG HD3 . 17157 1 727 . 1 1 65 65 ARG HG2 H 1 1.510 0.020 1 2 . . . . 65 ARG HG2 . 17157 1 728 . 1 1 65 65 ARG HG3 H 1 1.427 0.020 1 2 . . . . 65 ARG HG3 . 17157 1 729 . 1 1 65 65 ARG CA C 13 56.907 0.100 14 1 . . . . 65 ARG CA . 17157 1 730 . 1 1 65 65 ARG CB C 13 31.110 0.100 4 1 . . . . 65 ARG CB . 17157 1 731 . 1 1 65 65 ARG CD C 13 42.609 0.100 1 1 . . . . 65 ARG CD . 17157 1 732 . 1 1 65 65 ARG CG C 13 26.773 0.100 1 1 . . . . 65 ARG CG . 17157 1 733 . 1 1 65 65 ARG N N 15 127.100 0.100 7 1 . . . . 65 ARG N . 17157 1 734 . 1 1 66 66 HIS H H 1 8.820 0.020 8 1 . . . . 66 HIS H . 17157 1 735 . 1 1 66 66 HIS HA H 1 5.268 0.020 2 1 . . . . 66 HIS HA . 17157 1 736 . 1 1 66 66 HIS HB2 H 1 3.172 0.020 2 2 . . . . 66 HIS HB2 . 17157 1 737 . 1 1 66 66 HIS HB3 H 1 3.173 0.020 2 2 . . . . 66 HIS HB3 . 17157 1 738 . 1 1 66 66 HIS HD2 H 1 7.174 0.020 1 1 . . . . 66 HIS HD2 . 17157 1 739 . 1 1 66 66 HIS HE1 H 1 8.093 0.020 1 1 . . . . 66 HIS HE1 . 17157 1 740 . 1 1 66 66 HIS CA C 13 51.972 0.100 2 1 . . . . 66 HIS CA . 17157 1 741 . 1 1 66 66 HIS CB C 13 29.946 0.100 3 1 . . . . 66 HIS CB . 17157 1 742 . 1 1 66 66 HIS CD2 C 13 121.000 0.100 1 1 . . . . 66 HIS CD2 . 17157 1 743 . 1 1 66 66 HIS CE1 C 13 137.397 0.100 1 1 . . . . 66 HIS CE1 . 17157 1 744 . 1 1 66 66 HIS N N 15 116.359 0.100 8 1 . . . . 66 HIS N . 17157 1 745 . 1 1 67 67 PRO HA H 1 3.878 0.020 14 1 . . . . 67 PRO HA . 17157 1 746 . 1 1 67 67 PRO HB2 H 1 1.773 0.020 2 2 . . . . 67 PRO HB2 . 17157 1 747 . 1 1 67 67 PRO HB3 H 1 1.452 0.020 3 2 . . . . 67 PRO HB3 . 17157 1 748 . 1 1 67 67 PRO HD2 H 1 3.973 0.020 2 2 . . . . 67 PRO HD2 . 17157 1 749 . 1 1 67 67 PRO HD3 H 1 3.357 0.020 2 2 . . . . 67 PRO HD3 . 17157 1 750 . 1 1 67 67 PRO HG2 H 1 1.911 0.020 2 2 . . . . 67 PRO HG2 . 17157 1 751 . 1 1 67 67 PRO HG3 H 1 1.776 0.020 1 2 . . . . 67 PRO HG3 . 17157 1 752 . 1 1 67 67 PRO CA C 13 65.386 0.100 14 1 . . . . 67 PRO CA . 17157 1 753 . 1 1 67 67 PRO CB C 13 31.177 0.100 3 1 . . . . 67 PRO CB . 17157 1 754 . 1 1 67 67 PRO CD C 13 49.706 0.100 3 1 . . . . 67 PRO CD . 17157 1 755 . 1 1 67 67 PRO CG C 13 27.247 0.100 2 1 . . . . 67 PRO CG . 17157 1 756 . 1 1 68 68 ASP H H 1 8.584 0.020 11 1 . . . . 68 ASP H . 17157 1 757 . 1 1 68 68 ASP HA H 1 3.302 0.020 2 1 . . . . 68 ASP HA . 17157 1 758 . 1 1 68 68 ASP HB2 H 1 2.208 0.020 2 2 . . . . 68 ASP HB2 . 17157 1 759 . 1 1 68 68 ASP HB3 H 1 2.455 0.020 3 2 . . . . 68 ASP HB3 . 17157 1 760 . 1 1 68 68 ASP CA C 13 55.144 0.100 3 1 . . . . 68 ASP CA . 17157 1 761 . 1 1 68 68 ASP CB C 13 38.623 0.100 4 1 . . . . 68 ASP CB . 17157 1 762 . 1 1 68 68 ASP N N 15 111.394 0.100 11 1 . . . . 68 ASP N . 17157 1 763 . 1 1 69 69 VAL H H 1 7.231 0.020 8 1 . . . . 69 VAL H . 17157 1 764 . 1 1 69 69 VAL HA H 1 4.345 0.020 12 1 . . . . 69 VAL HA . 17157 1 765 . 1 1 69 69 VAL HB H 1 2.199 0.020 3 1 . . . . 69 VAL HB . 17157 1 766 . 1 1 69 69 VAL HG11 H 1 0.962 0.020 2 2 . . . . 69 VAL MG1 . 17157 1 767 . 1 1 69 69 VAL HG12 H 1 0.962 0.020 2 2 . . . . 69 VAL MG1 . 17157 1 768 . 1 1 69 69 VAL HG13 H 1 0.962 0.020 2 2 . . . . 69 VAL MG1 . 17157 1 769 . 1 1 69 69 VAL HG21 H 1 0.958 0.020 2 2 . . . . 69 VAL MG2 . 17157 1 770 . 1 1 69 69 VAL HG22 H 1 0.958 0.020 2 2 . . . . 69 VAL MG2 . 17157 1 771 . 1 1 69 69 VAL HG23 H 1 0.958 0.020 2 2 . . . . 69 VAL MG2 . 17157 1 772 . 1 1 69 69 VAL CA C 13 62.436 0.100 11 1 . . . . 69 VAL CA . 17157 1 773 . 1 1 69 69 VAL CB C 13 33.228 0.100 2 1 . . . . 69 VAL CB . 17157 1 774 . 1 1 69 69 VAL CG1 C 13 20.927 0.100 2 2 . . . . 69 VAL CG1 . 17157 1 775 . 1 1 69 69 VAL CG2 C 13 20.250 0.100 2 2 . . . . 69 VAL CG2 . 17157 1 776 . 1 1 69 69 VAL N N 15 115.047 0.100 8 1 . . . . 69 VAL N . 17157 1 777 . 1 1 70 70 GLU H H 1 7.941 0.020 8 1 . . . . 70 GLU H . 17157 1 778 . 1 1 70 70 GLU HA H 1 4.514 0.020 8 1 . . . . 70 GLU HA . 17157 1 779 . 1 1 70 70 GLU HB2 H 1 2.435 0.020 2 2 . . . . 70 GLU HB2 . 17157 1 780 . 1 1 70 70 GLU HB3 H 1 1.831 0.020 2 2 . . . . 70 GLU HB3 . 17157 1 781 . 1 1 70 70 GLU HG2 H 1 2.604 0.020 6 2 . . . . 70 GLU HG2 . 17157 1 782 . 1 1 70 70 GLU HG3 H 1 2.446 0.020 5 2 . . . . 70 GLU HG3 . 17157 1 783 . 1 1 70 70 GLU CA C 13 57.638 0.100 6 1 . . . . 70 GLU CA . 17157 1 784 . 1 1 70 70 GLU CB C 13 33.010 0.100 2 1 . . . . 70 GLU CB . 17157 1 785 . 1 1 70 70 GLU CG C 13 38.130 0.100 6 1 . . . . 70 GLU CG . 17157 1 786 . 1 1 70 70 GLU N N 15 116.133 0.100 8 1 . . . . 70 GLU N . 17157 1 787 . 1 1 71 71 VAL H H 1 7.914 0.020 7 1 . . . . 71 VAL H . 17157 1 788 . 1 1 71 71 VAL HA H 1 4.395 0.020 10 1 . . . . 71 VAL HA . 17157 1 789 . 1 1 71 71 VAL HB H 1 2.492 0.020 3 1 . . . . 71 VAL HB . 17157 1 790 . 1 1 71 71 VAL HG11 H 1 0.853 0.020 2 2 . . . . 71 VAL MG1 . 17157 1 791 . 1 1 71 71 VAL HG12 H 1 0.853 0.020 2 2 . . . . 71 VAL MG1 . 17157 1 792 . 1 1 71 71 VAL HG13 H 1 0.853 0.020 2 2 . . . . 71 VAL MG1 . 17157 1 793 . 1 1 71 71 VAL HG21 H 1 0.841 0.020 2 2 . . . . 71 VAL MG2 . 17157 1 794 . 1 1 71 71 VAL HG22 H 1 0.841 0.020 2 2 . . . . 71 VAL MG2 . 17157 1 795 . 1 1 71 71 VAL HG23 H 1 0.841 0.020 2 2 . . . . 71 VAL MG2 . 17157 1 796 . 1 1 71 71 VAL CA C 13 60.385 0.100 11 1 . . . . 71 VAL CA . 17157 1 797 . 1 1 71 71 VAL CB C 13 31.307 0.100 2 1 . . . . 71 VAL CB . 17157 1 798 . 1 1 71 71 VAL CG1 C 13 22.259 0.100 2 2 . . . . 71 VAL CG1 . 17157 1 799 . 1 1 71 71 VAL CG2 C 13 21.282 0.100 2 2 . . . . 71 VAL CG2 . 17157 1 800 . 1 1 71 71 VAL N N 15 117.035 0.100 7 1 . . . . 71 VAL N . 17157 1 801 . 1 1 72 72 ASP H H 1 9.137 0.020 9 1 . . . . 72 ASP H . 17157 1 802 . 1 1 72 72 ASP HA H 1 4.669 0.020 2 1 . . . . 72 ASP HA . 17157 1 803 . 1 1 72 72 ASP HB2 H 1 2.848 0.020 2 2 . . . . 72 ASP HB2 . 17157 1 804 . 1 1 72 72 ASP HB3 H 1 2.856 0.020 1 2 . . . . 72 ASP HB3 . 17157 1 805 . 1 1 72 72 ASP CA C 13 55.769 0.100 2 1 . . . . 72 ASP CA . 17157 1 806 . 1 1 72 72 ASP CB C 13 41.936 0.100 1 1 . . . . 72 ASP CB . 17157 1 807 . 1 1 72 72 ASP N N 15 131.966 0.100 9 1 . . . . 72 ASP N . 17157 1 808 . 1 1 73 73 GLY H H 1 8.763 0.020 7 1 . . . . 73 GLY H . 17157 1 809 . 1 1 73 73 GLY HA2 H 1 4.992 0.020 2 2 . . . . 73 GLY HA2 . 17157 1 810 . 1 1 73 73 GLY HA3 H 1 3.965 0.020 1 2 . . . . 73 GLY HA3 . 17157 1 811 . 1 1 73 73 GLY CA C 13 45.065 0.100 3 1 . . . . 73 GLY CA . 17157 1 812 . 1 1 73 73 GLY N N 15 113.723 0.100 7 1 . . . . 73 GLY N . 17157 1 813 . 1 1 74 74 PHE H H 1 7.692 0.020 7 1 . . . . 74 PHE H . 17157 1 814 . 1 1 74 74 PHE HA H 1 3.697 0.020 2 1 . . . . 74 PHE HA . 17157 1 815 . 1 1 74 74 PHE HB2 H 1 3.299 0.020 1 2 . . . . 74 PHE HB2 . 17157 1 816 . 1 1 74 74 PHE HB3 H 1 3.215 0.020 1 2 . . . . 74 PHE HB3 . 17157 1 817 . 1 1 74 74 PHE HD1 H 1 7.049 0.020 1 1 . . . . 74 PHE HD1 . 17157 1 818 . 1 1 74 74 PHE HD2 H 1 7.049 0.020 1 1 . . . . 74 PHE HD2 . 17157 1 819 . 1 1 74 74 PHE HE1 H 1 7.391 0.020 1 1 . . . . 74 PHE HE1 . 17157 1 820 . 1 1 74 74 PHE HE2 H 1 7.391 0.020 1 1 . . . . 74 PHE HE2 . 17157 1 821 . 1 1 74 74 PHE HZ H 1 7.241 0.020 1 1 . . . . 74 PHE HZ . 17157 1 822 . 1 1 74 74 PHE CA C 13 62.370 0.100 2 1 . . . . 74 PHE CA . 17157 1 823 . 1 1 74 74 PHE CB C 13 40.051 0.100 1 1 . . . . 74 PHE CB . 17157 1 824 . 1 1 74 74 PHE CD1 C 13 131.284 0.100 1 1 . . . . 74 PHE CD1 . 17157 1 825 . 1 1 74 74 PHE CD2 C 13 131.284 0.100 1 1 . . . . 74 PHE CD2 . 17157 1 826 . 1 1 74 74 PHE CE1 C 13 131.044 0.100 1 1 . . . . 74 PHE CE1 . 17157 1 827 . 1 1 74 74 PHE CE2 C 13 131.044 0.100 1 1 . . . . 74 PHE CE2 . 17157 1 828 . 1 1 74 74 PHE CZ C 13 129.637 0.100 1 1 . . . . 74 PHE CZ . 17157 1 829 . 1 1 74 74 PHE N N 15 122.856 0.100 7 1 . . . . 74 PHE N . 17157 1 830 . 1 1 75 75 SER H H 1 8.785 0.020 6 1 . . . . 75 SER H . 17157 1 831 . 1 1 75 75 SER HA H 1 4.106 0.020 3 1 . . . . 75 SER HA . 17157 1 832 . 1 1 75 75 SER HB2 H 1 4.211 0.020 1 2 . . . . 75 SER HB2 . 17157 1 833 . 1 1 75 75 SER HB3 H 1 4.180 0.020 1 2 . . . . 75 SER HB3 . 17157 1 834 . 1 1 75 75 SER CA C 13 60.102 0.100 3 1 . . . . 75 SER CA . 17157 1 835 . 1 1 75 75 SER CB C 13 62.747 0.100 1 1 . . . . 75 SER CB . 17157 1 836 . 1 1 75 75 SER N N 15 109.522 0.100 6 1 . . . . 75 SER N . 17157 1 837 . 1 1 76 76 GLU H H 1 7.464 0.020 8 1 . . . . 76 GLU H . 17157 1 838 . 1 1 76 76 GLU HA H 1 4.453 0.020 1 1 . . . . 76 GLU HA . 17157 1 839 . 1 1 76 76 GLU HB2 H 1 2.411 0.020 1 2 . . . . 76 GLU HB2 . 17157 1 840 . 1 1 76 76 GLU HB3 H 1 1.969 0.020 1 2 . . . . 76 GLU HB3 . 17157 1 841 . 1 1 76 76 GLU HG2 H 1 2.395 0.020 3 2 . . . . 76 GLU HG2 . 17157 1 842 . 1 1 76 76 GLU HG3 H 1 2.344 0.020 3 2 . . . . 76 GLU HG3 . 17157 1 843 . 1 1 76 76 GLU CA C 13 56.044 0.100 3 1 . . . . 76 GLU CA . 17157 1 844 . 1 1 76 76 GLU CB C 13 29.575 0.100 1 1 . . . . 76 GLU CB . 17157 1 845 . 1 1 76 76 GLU CG C 13 37.025 0.100 8 1 . . . . 76 GLU CG . 17157 1 846 . 1 1 76 76 GLU N N 15 118.392 0.100 8 1 . . . . 76 GLU N . 17157 1 847 . 1 1 77 77 LEU H H 1 7.147 0.020 6 1 . . . . 77 LEU H . 17157 1 848 . 1 1 77 77 LEU HA H 1 4.403 0.020 3 1 . . . . 77 LEU HA . 17157 1 849 . 1 1 77 77 LEU HB2 H 1 1.696 0.020 3 2 . . . . 77 LEU HB2 . 17157 1 850 . 1 1 77 77 LEU HB3 H 1 1.388 0.020 3 2 . . . . 77 LEU HB3 . 17157 1 851 . 1 1 77 77 LEU HD11 H 1 0.527 0.020 2 2 . . . . 77 LEU MD1 . 17157 1 852 . 1 1 77 77 LEU HD12 H 1 0.527 0.020 2 2 . . . . 77 LEU MD1 . 17157 1 853 . 1 1 77 77 LEU HD13 H 1 0.527 0.020 2 2 . . . . 77 LEU MD1 . 17157 1 854 . 1 1 77 77 LEU HD21 H 1 0.208 0.020 12 2 . . . . 77 LEU MD2 . 17157 1 855 . 1 1 77 77 LEU HD22 H 1 0.208 0.020 12 2 . . . . 77 LEU MD2 . 17157 1 856 . 1 1 77 77 LEU HD23 H 1 0.208 0.020 12 2 . . . . 77 LEU MD2 . 17157 1 857 . 1 1 77 77 LEU HG H 1 1.748 0.020 2 1 . . . . 77 LEU HG . 17157 1 858 . 1 1 77 77 LEU CA C 13 53.899 0.100 4 1 . . . . 77 LEU CA . 17157 1 859 . 1 1 77 77 LEU CB C 13 42.543 0.100 5 1 . . . . 77 LEU CB . 17157 1 860 . 1 1 77 77 LEU CD1 C 13 25.285 0.100 2 2 . . . . 77 LEU CD1 . 17157 1 861 . 1 1 77 77 LEU CD2 C 13 20.865 0.100 12 2 . . . . 77 LEU CD2 . 17157 1 862 . 1 1 77 77 LEU CG C 13 25.360 0.100 1 1 . . . . 77 LEU CG . 17157 1 863 . 1 1 77 77 LEU N N 15 118.877 0.100 6 1 . . . . 77 LEU N . 17157 1 864 . 1 1 78 78 ARG H H 1 8.792 0.020 8 1 . . . . 78 ARG H . 17157 1 865 . 1 1 78 78 ARG HA H 1 4.417 0.020 3 1 . . . . 78 ARG HA . 17157 1 866 . 1 1 78 78 ARG HB2 H 1 2.189 0.020 3 2 . . . . 78 ARG HB2 . 17157 1 867 . 1 1 78 78 ARG HB3 H 1 1.952 0.020 2 2 . . . . 78 ARG HB3 . 17157 1 868 . 1 1 78 78 ARG HD2 H 1 3.411 0.020 14 2 . . . . 78 ARG HD2 . 17157 1 869 . 1 1 78 78 ARG HD3 H 1 3.272 0.020 6 2 . . . . 78 ARG HD3 . 17157 1 870 . 1 1 78 78 ARG HG2 H 1 2.060 0.020 1 2 . . . . 78 ARG HG2 . 17157 1 871 . 1 1 78 78 ARG HG3 H 1 1.844 0.020 1 2 . . . . 78 ARG HG3 . 17157 1 872 . 1 1 78 78 ARG CA C 13 57.043 0.100 2 1 . . . . 78 ARG CA . 17157 1 873 . 1 1 78 78 ARG CB C 13 31.014 0.100 2 1 . . . . 78 ARG CB . 17157 1 874 . 1 1 78 78 ARG CD C 13 42.988 0.100 17 1 . . . . 78 ARG CD . 17157 1 875 . 1 1 78 78 ARG CG C 13 28.409 0.100 1 1 . . . . 78 ARG CG . 17157 1 876 . 1 1 78 78 ARG N N 15 120.700 0.100 8 1 . . . . 78 ARG N . 17157 1 877 . 1 1 79 79 TRP H H 1 9.210 0.020 5 1 . . . . 79 TRP H . 17157 1 878 . 1 1 79 79 TRP HA H 1 4.102 0.020 1 1 . . . . 79 TRP HA . 17157 1 879 . 1 1 79 79 TRP HB2 H 1 3.546 0.020 1 2 . . . . 79 TRP HB2 . 17157 1 880 . 1 1 79 79 TRP HB3 H 1 3.329 0.020 1 2 . . . . 79 TRP HB3 . 17157 1 881 . 1 1 79 79 TRP HD1 H 1 7.377 0.020 1 1 . . . . 79 TRP HD1 . 17157 1 882 . 1 1 79 79 TRP HE1 H 1 10.200 0.020 1 1 . . . . 79 TRP HE1 . 17157 1 883 . 1 1 79 79 TRP HE3 H 1 7.616 0.020 1 1 . . . . 79 TRP HE3 . 17157 1 884 . 1 1 79 79 TRP HH2 H 1 7.281 0.020 1 1 . . . . 79 TRP HH2 . 17157 1 885 . 1 1 79 79 TRP HZ2 H 1 7.504 0.020 1 1 . . . . 79 TRP HZ2 . 17157 1 886 . 1 1 79 79 TRP HZ3 H 1 7.232 0.020 1 1 . . . . 79 TRP HZ3 . 17157 1 887 . 1 1 79 79 TRP CA C 13 61.773 0.100 2 1 . . . . 79 TRP CA . 17157 1 888 . 1 1 79 79 TRP CB C 13 28.695 0.100 1 1 . . . . 79 TRP CB . 17157 1 889 . 1 1 79 79 TRP CD1 C 13 127.025 0.100 1 1 . . . . 79 TRP CD1 . 17157 1 890 . 1 1 79 79 TRP CE3 C 13 120.372 0.100 1 1 . . . . 79 TRP CE3 . 17157 1 891 . 1 1 79 79 TRP CH2 C 13 124.419 0.100 1 1 . . . . 79 TRP CH2 . 17157 1 892 . 1 1 79 79 TRP CZ2 C 13 114.339 0.100 1 1 . . . . 79 TRP CZ2 . 17157 1 893 . 1 1 79 79 TRP CZ3 C 13 121.954 0.100 1 1 . . . . 79 TRP CZ3 . 17157 1 894 . 1 1 79 79 TRP N N 15 125.048 0.100 5 1 . . . . 79 TRP N . 17157 1 895 . 1 1 79 79 TRP NE1 N 15 129.790 0.100 1 1 . . . . 79 TRP NE1 . 17157 1 896 . 1 1 80 80 ASP H H 1 9.071 0.020 8 1 . . . . 80 ASP H . 17157 1 897 . 1 1 80 80 ASP HA H 1 4.062 0.020 2 1 . . . . 80 ASP HA . 17157 1 898 . 1 1 80 80 ASP HB2 H 1 2.526 0.020 2 2 . . . . 80 ASP HB2 . 17157 1 899 . 1 1 80 80 ASP HB3 H 1 2.529 0.020 2 2 . . . . 80 ASP HB3 . 17157 1 900 . 1 1 80 80 ASP CA C 13 56.877 0.100 2 1 . . . . 80 ASP CA . 17157 1 901 . 1 1 80 80 ASP CB C 13 39.134 0.100 4 1 . . . . 80 ASP CB . 17157 1 902 . 1 1 80 80 ASP N N 15 115.666 0.100 8 1 . . . . 80 ASP N . 17157 1 903 . 1 1 81 81 ASP H H 1 7.258 0.020 7 1 . . . . 81 ASP H . 17157 1 904 . 1 1 81 81 ASP HA H 1 4.734 0.020 1 1 . . . . 81 ASP HA . 17157 1 905 . 1 1 81 81 ASP HB2 H 1 2.721 0.020 2 2 . . . . 81 ASP HB2 . 17157 1 906 . 1 1 81 81 ASP HB3 H 1 2.428 0.020 2 2 . . . . 81 ASP HB3 . 17157 1 907 . 1 1 81 81 ASP CA C 13 56.684 0.100 1 1 . . . . 81 ASP CA . 17157 1 908 . 1 1 81 81 ASP CB C 13 40.875 0.100 3 1 . . . . 81 ASP CB . 17157 1 909 . 1 1 81 81 ASP N N 15 120.099 0.100 7 1 . . . . 81 ASP N . 17157 1 910 . 1 1 82 82 GLN H H 1 8.202 0.020 6 1 . . . . 82 GLN H . 17157 1 911 . 1 1 82 82 GLN HA H 1 3.348 0.020 12 1 . . . . 82 GLN HA . 17157 1 912 . 1 1 82 82 GLN HB2 H 1 2.018 0.020 2 2 . . . . 82 GLN HB2 . 17157 1 913 . 1 1 82 82 GLN HB3 H 1 1.725 0.020 2 2 . . . . 82 GLN HB3 . 17157 1 914 . 1 1 82 82 GLN HG2 H 1 1.186 0.020 2 2 . . . . 82 GLN HG2 . 17157 1 915 . 1 1 82 82 GLN HG3 H 1 1.183 0.020 2 2 . . . . 82 GLN HG3 . 17157 1 916 . 1 1 82 82 GLN CA C 13 59.544 0.100 12 1 . . . . 82 GLN CA . 17157 1 917 . 1 1 82 82 GLN CB C 13 27.116 0.100 2 1 . . . . 82 GLN CB . 17157 1 918 . 1 1 82 82 GLN CG C 13 33.899 0.100 3 1 . . . . 82 GLN CG . 17157 1 919 . 1 1 82 82 GLN N N 15 121.711 0.100 6 1 . . . . 82 GLN N . 17157 1 920 . 1 1 83 83 GLN H H 1 7.687 0.020 8 1 . . . . 83 GLN H . 17157 1 921 . 1 1 83 83 GLN HA H 1 3.868 0.020 11 1 . . . . 83 GLN HA . 17157 1 922 . 1 1 83 83 GLN HB2 H 1 1.962 0.020 2 2 . . . . 83 GLN HB2 . 17157 1 923 . 1 1 83 83 GLN HB3 H 1 1.881 0.020 2 2 . . . . 83 GLN HB3 . 17157 1 924 . 1 1 83 83 GLN HG2 H 1 1.734 0.020 2 2 . . . . 83 GLN HG2 . 17157 1 925 . 1 1 83 83 GLN HG3 H 1 1.595 0.020 2 2 . . . . 83 GLN HG3 . 17157 1 926 . 1 1 83 83 GLN CA C 13 57.682 0.100 11 1 . . . . 83 GLN CA . 17157 1 927 . 1 1 83 83 GLN CB C 13 27.415 0.100 1 1 . . . . 83 GLN CB . 17157 1 928 . 1 1 83 83 GLN CG C 13 32.581 0.100 3 1 . . . . 83 GLN CG . 17157 1 929 . 1 1 83 83 GLN N N 15 115.318 0.100 8 1 . . . . 83 GLN N . 17157 1 930 . 1 1 84 84 LYS H H 1 7.634 0.020 8 1 . . . . 84 LYS H . 17157 1 931 . 1 1 84 84 LYS HA H 1 4.126 0.020 18 1 . . . . 84 LYS HA . 17157 1 932 . 1 1 84 84 LYS HB2 H 1 1.985 0.020 2 2 . . . . 84 LYS HB2 . 17157 1 933 . 1 1 84 84 LYS HB3 H 1 1.958 0.020 2 2 . . . . 84 LYS HB3 . 17157 1 934 . 1 1 84 84 LYS HD2 H 1 1.552 0.020 1 2 . . . . 84 LYS HD2 . 17157 1 935 . 1 1 84 84 LYS HD3 H 1 1.524 0.020 2 2 . . . . 84 LYS HD3 . 17157 1 936 . 1 1 84 84 LYS HE2 H 1 2.790 0.020 1 2 . . . . 84 LYS HE2 . 17157 1 937 . 1 1 84 84 LYS HE3 H 1 2.691 0.020 1 2 . . . . 84 LYS HE3 . 17157 1 938 . 1 1 84 84 LYS HG2 H 1 1.576 0.020 1 2 . . . . 84 LYS HG2 . 17157 1 939 . 1 1 84 84 LYS HG3 H 1 1.239 0.020 1 2 . . . . 84 LYS HG3 . 17157 1 940 . 1 1 84 84 LYS CA C 13 59.446 0.100 18 1 . . . . 84 LYS CA . 17157 1 941 . 1 1 84 84 LYS CB C 13 32.399 0.100 3 1 . . . . 84 LYS CB . 17157 1 942 . 1 1 84 84 LYS CD C 13 29.169 0.100 2 1 . . . . 84 LYS CD . 17157 1 943 . 1 1 84 84 LYS CE C 13 41.242 0.100 1 1 . . . . 84 LYS CE . 17157 1 944 . 1 1 84 84 LYS CG C 13 24.202 0.100 1 1 . . . . 84 LYS CG . 17157 1 945 . 1 1 84 84 LYS N N 15 120.408 0.100 8 1 . . . . 84 LYS N . 17157 1 946 . 1 1 85 85 VAL H H 1 8.521 0.020 8 1 . . . . 85 VAL H . 17157 1 947 . 1 1 85 85 VAL HA H 1 3.828 0.020 11 1 . . . . 85 VAL HA . 17157 1 948 . 1 1 85 85 VAL HB H 1 2.580 0.020 3 1 . . . . 85 VAL HB . 17157 1 949 . 1 1 85 85 VAL HG11 H 1 1.252 0.020 2 2 . . . . 85 VAL MG1 . 17157 1 950 . 1 1 85 85 VAL HG12 H 1 1.252 0.020 2 2 . . . . 85 VAL MG1 . 17157 1 951 . 1 1 85 85 VAL HG13 H 1 1.252 0.020 2 2 . . . . 85 VAL MG1 . 17157 1 952 . 1 1 85 85 VAL HG21 H 1 1.209 0.020 2 2 . . . . 85 VAL MG2 . 17157 1 953 . 1 1 85 85 VAL HG22 H 1 1.209 0.020 2 2 . . . . 85 VAL MG2 . 17157 1 954 . 1 1 85 85 VAL HG23 H 1 1.209 0.020 2 2 . . . . 85 VAL MG2 . 17157 1 955 . 1 1 85 85 VAL CA C 13 67.305 0.100 11 1 . . . . 85 VAL CA . 17157 1 956 . 1 1 85 85 VAL CB C 13 31.155 0.100 3 1 . . . . 85 VAL CB . 17157 1 957 . 1 1 85 85 VAL CG1 C 13 22.956 0.100 2 2 . . . . 85 VAL CG1 . 17157 1 958 . 1 1 85 85 VAL CG2 C 13 21.322 0.100 2 2 . . . . 85 VAL CG2 . 17157 1 959 . 1 1 85 85 VAL N N 15 121.392 0.100 8 1 . . . . 85 VAL N . 17157 1 960 . 1 1 86 86 LYS H H 1 8.322 0.020 6 1 . . . . 86 LYS H . 17157 1 961 . 1 1 86 86 LYS HA H 1 3.899 0.020 17 1 . . . . 86 LYS HA . 17157 1 962 . 1 1 86 86 LYS HB2 H 1 2.006 0.020 2 2 . . . . 86 LYS HB2 . 17157 1 963 . 1 1 86 86 LYS HB3 H 1 1.956 0.020 2 2 . . . . 86 LYS HB3 . 17157 1 964 . 1 1 86 86 LYS HD2 H 1 1.852 0.020 1 2 . . . . 86 LYS HD2 . 17157 1 965 . 1 1 86 86 LYS HD3 H 1 1.753 0.020 1 2 . . . . 86 LYS HD3 . 17157 1 966 . 1 1 86 86 LYS HE2 H 1 3.065 0.020 2 2 . . . . 86 LYS HE2 . 17157 1 967 . 1 1 86 86 LYS HE3 H 1 3.067 0.020 2 2 . . . . 86 LYS HE3 . 17157 1 968 . 1 1 86 86 LYS HG2 H 1 1.753 0.020 1 2 . . . . 86 LYS HG2 . 17157 1 969 . 1 1 86 86 LYS HG3 H 1 1.424 0.020 1 2 . . . . 86 LYS HG3 . 17157 1 970 . 1 1 86 86 LYS CA C 13 60.426 0.100 17 1 . . . . 86 LYS CA . 17157 1 971 . 1 1 86 86 LYS CB C 13 32.573 0.100 2 1 . . . . 86 LYS CB . 17157 1 972 . 1 1 86 86 LYS CD C 13 29.426 0.100 1 1 . . . . 86 LYS CD . 17157 1 973 . 1 1 86 86 LYS CE C 13 41.488 0.100 3 1 . . . . 86 LYS CE . 17157 1 974 . 1 1 86 86 LYS CG C 13 25.296 0.100 1 1 . . . . 86 LYS CG . 17157 1 975 . 1 1 86 86 LYS N N 15 118.590 0.100 6 1 . . . . 86 LYS N . 17157 1 976 . 1 1 87 87 LYS H H 1 8.703 0.020 6 1 . . . . 87 LYS H . 17157 1 977 . 1 1 87 87 LYS HA H 1 4.088 0.020 17 1 . . . . 87 LYS HA . 17157 1 978 . 1 1 87 87 LYS HB2 H 1 1.941 0.020 2 2 . . . . 87 LYS HB2 . 17157 1 979 . 1 1 87 87 LYS HB3 H 1 1.869 0.020 2 2 . . . . 87 LYS HB3 . 17157 1 980 . 1 1 87 87 LYS HD2 H 1 1.688 0.020 1 2 . . . . 87 LYS HD2 . 17157 1 981 . 1 1 87 87 LYS HD3 H 1 1.685 0.020 1 2 . . . . 87 LYS HD3 . 17157 1 982 . 1 1 87 87 LYS HE2 H 1 2.986 0.020 2 2 . . . . 87 LYS HE2 . 17157 1 983 . 1 1 87 87 LYS HE3 H 1 2.987 0.020 2 2 . . . . 87 LYS HE3 . 17157 1 984 . 1 1 87 87 LYS HG2 H 1 1.578 0.020 1 2 . . . . 87 LYS HG2 . 17157 1 985 . 1 1 87 87 LYS HG3 H 1 1.521 0.020 1 2 . . . . 87 LYS HG3 . 17157 1 986 . 1 1 87 87 LYS CA C 13 58.541 0.100 18 1 . . . . 87 LYS CA . 17157 1 987 . 1 1 87 87 LYS CB C 13 31.833 0.100 2 1 . . . . 87 LYS CB . 17157 1 988 . 1 1 87 87 LYS CD C 13 28.688 0.100 1 1 . . . . 87 LYS CD . 17157 1 989 . 1 1 87 87 LYS CE C 13 41.796 0.100 3 1 . . . . 87 LYS CE . 17157 1 990 . 1 1 87 87 LYS CG C 13 24.777 0.100 1 1 . . . . 87 LYS CG . 17157 1 991 . 1 1 87 87 LYS N N 15 117.769 0.100 6 1 . . . . 87 LYS N . 17157 1 992 . 1 1 88 88 THR H H 1 7.898 0.020 6 1 . . . . 88 THR H . 17157 1 993 . 1 1 88 88 THR HA H 1 3.668 0.020 11 1 . . . . 88 THR HA . 17157 1 994 . 1 1 88 88 THR HB H 1 3.567 0.020 5 1 . . . . 88 THR HB . 17157 1 995 . 1 1 88 88 THR HG21 H 1 -0.040 0.020 2 1 . . . . 88 THR MG . 17157 1 996 . 1 1 88 88 THR HG22 H 1 -0.040 0.020 2 1 . . . . 88 THR MG . 17157 1 997 . 1 1 88 88 THR HG23 H 1 -0.040 0.020 2 1 . . . . 88 THR MG . 17157 1 998 . 1 1 88 88 THR CA C 13 66.107 0.100 10 1 . . . . 88 THR CA . 17157 1 999 . 1 1 88 88 THR CB C 13 68.133 0.100 4 1 . . . . 88 THR CB . 17157 1 1000 . 1 1 88 88 THR CG2 C 13 19.118 0.100 2 1 . . . . 88 THR CG2 . 17157 1 1001 . 1 1 88 88 THR N N 15 116.296 0.100 6 1 . . . . 88 THR N . 17157 1 1002 . 1 1 89 89 ALA H H 1 7.893 0.020 11 1 . . . . 89 ALA H . 17157 1 1003 . 1 1 89 89 ALA HA H 1 3.828 0.020 4 1 . . . . 89 ALA HA . 17157 1 1004 . 1 1 89 89 ALA HB1 H 1 1.531 0.020 4 1 . . . . 89 ALA MB . 17157 1 1005 . 1 1 89 89 ALA HB2 H 1 1.531 0.020 4 1 . . . . 89 ALA MB . 17157 1 1006 . 1 1 89 89 ALA HB3 H 1 1.531 0.020 4 1 . . . . 89 ALA MB . 17157 1 1007 . 1 1 89 89 ALA CA C 13 54.251 0.100 4 1 . . . . 89 ALA CA . 17157 1 1008 . 1 1 89 89 ALA CB C 13 17.616 0.100 3 1 . . . . 89 ALA CB . 17157 1 1009 . 1 1 89 89 ALA N N 15 123.442 0.100 11 1 . . . . 89 ALA N . 17157 1 1010 . 1 1 90 90 GLU H H 1 7.745 0.020 13 1 . . . . 90 GLU H . 17157 1 1011 . 1 1 90 90 GLU HA H 1 4.116 0.020 7 1 . . . . 90 GLU HA . 17157 1 1012 . 1 1 90 90 GLU HB2 H 1 2.103 0.020 5 2 . . . . 90 GLU HB2 . 17157 1 1013 . 1 1 90 90 GLU HB3 H 1 2.104 0.020 5 2 . . . . 90 GLU HB3 . 17157 1 1014 . 1 1 90 90 GLU HG2 H 1 2.500 0.020 9 2 . . . . 90 GLU HG2 . 17157 1 1015 . 1 1 90 90 GLU HG3 H 1 2.332 0.020 5 2 . . . . 90 GLU HG3 . 17157 1 1016 . 1 1 90 90 GLU CA C 13 57.791 0.100 5 1 . . . . 90 GLU CA . 17157 1 1017 . 1 1 90 90 GLU CB C 13 29.496 0.100 8 1 . . . . 90 GLU CB . 17157 1 1018 . 1 1 90 90 GLU CG C 13 36.139 0.100 10 1 . . . . 90 GLU CG . 17157 1 1019 . 1 1 90 90 GLU N N 15 116.816 0.100 13 1 . . . . 90 GLU N . 17157 1 1020 . 1 1 91 91 ALA H H 1 7.546 0.020 15 1 . . . . 91 ALA H . 17157 1 1021 . 1 1 91 91 ALA HA H 1 4.331 0.020 8 1 . . . . 91 ALA HA . 17157 1 1022 . 1 1 91 91 ALA HB1 H 1 1.509 0.020 5 1 . . . . 91 ALA MB . 17157 1 1023 . 1 1 91 91 ALA HB2 H 1 1.509 0.020 5 1 . . . . 91 ALA MB . 17157 1 1024 . 1 1 91 91 ALA HB3 H 1 1.509 0.020 5 1 . . . . 91 ALA MB . 17157 1 1025 . 1 1 91 91 ALA CA C 13 52.746 0.100 7 1 . . . . 91 ALA CA . 17157 1 1026 . 1 1 91 91 ALA CB C 13 18.592 0.100 5 1 . . . . 91 ALA CB . 17157 1 1027 . 1 1 91 91 ALA N N 15 121.239 0.100 15 1 . . . . 91 ALA N . 17157 1 1028 . 1 1 92 92 GLY H H 1 7.989 0.020 13 1 . . . . 92 GLY H . 17157 1 1029 . 1 1 92 92 GLY HA2 H 1 4.015 0.020 2 2 . . . . 92 GLY HA2 . 17157 1 1030 . 1 1 92 92 GLY HA3 H 1 4.031 0.020 2 2 . . . . 92 GLY HA3 . 17157 1 1031 . 1 1 92 92 GLY CA C 13 45.436 0.100 4 1 . . . . 92 GLY CA . 17157 1 1032 . 1 1 92 92 GLY N N 15 106.783 0.100 13 1 . . . . 92 GLY N . 17157 1 1033 . 1 1 93 93 GLY H H 1 7.992 0.020 8 1 . . . . 93 GLY H . 17157 1 1034 . 1 1 93 93 GLY HA2 H 1 4.169 0.020 3 2 . . . . 93 GLY HA2 . 17157 1 1035 . 1 1 93 93 GLY HA3 H 1 3.783 0.020 3 2 . . . . 93 GLY HA3 . 17157 1 1036 . 1 1 93 93 GLY CA C 13 44.752 0.100 3 1 . . . . 93 GLY CA . 17157 1 1037 . 1 1 93 93 GLY N N 15 107.419 0.100 8 1 . . . . 93 GLY N . 17157 1 1038 . 1 1 94 94 VAL H H 1 7.939 0.020 11 1 . . . . 94 VAL H . 17157 1 1039 . 1 1 94 94 VAL HA H 1 4.217 0.020 11 1 . . . . 94 VAL HA . 17157 1 1040 . 1 1 94 94 VAL HB H 1 2.186 0.020 4 1 . . . . 94 VAL HB . 17157 1 1041 . 1 1 94 94 VAL HG11 H 1 1.004 0.020 2 2 . . . . 94 VAL MG1 . 17157 1 1042 . 1 1 94 94 VAL HG12 H 1 1.004 0.020 2 2 . . . . 94 VAL MG1 . 17157 1 1043 . 1 1 94 94 VAL HG13 H 1 1.004 0.020 2 2 . . . . 94 VAL MG1 . 17157 1 1044 . 1 1 94 94 VAL HG21 H 1 1.003 0.020 2 2 . . . . 94 VAL MG2 . 17157 1 1045 . 1 1 94 94 VAL HG22 H 1 1.003 0.020 2 2 . . . . 94 VAL MG2 . 17157 1 1046 . 1 1 94 94 VAL HG23 H 1 1.003 0.020 2 2 . . . . 94 VAL MG2 . 17157 1 1047 . 1 1 94 94 VAL CA C 13 62.043 0.100 10 1 . . . . 94 VAL CA . 17157 1 1048 . 1 1 94 94 VAL CB C 13 32.239 0.100 4 1 . . . . 94 VAL CB . 17157 1 1049 . 1 1 94 94 VAL CG1 C 13 20.265 0.100 2 2 . . . . 94 VAL CG1 . 17157 1 1050 . 1 1 94 94 VAL CG2 C 13 21.018 0.100 2 2 . . . . 94 VAL CG2 . 17157 1 1051 . 1 1 94 94 VAL N N 15 118.519 0.100 11 1 . . . . 94 VAL N . 17157 1 1052 . 1 1 95 95 THR H H 1 8.255 0.020 13 1 . . . . 95 THR H . 17157 1 1053 . 1 1 95 95 THR HA H 1 4.430 0.020 10 1 . . . . 95 THR HA . 17157 1 1054 . 1 1 95 95 THR HB H 1 4.284 0.020 4 1 . . . . 95 THR HB . 17157 1 1055 . 1 1 95 95 THR HG21 H 1 1.253 0.020 2 1 . . . . 95 THR MG . 17157 1 1056 . 1 1 95 95 THR HG22 H 1 1.253 0.020 2 1 . . . . 95 THR MG . 17157 1 1057 . 1 1 95 95 THR HG23 H 1 1.253 0.020 2 1 . . . . 95 THR MG . 17157 1 1058 . 1 1 95 95 THR CA C 13 61.576 0.100 10 1 . . . . 95 THR CA . 17157 1 1059 . 1 1 95 95 THR CB C 13 69.637 0.100 4 1 . . . . 95 THR CB . 17157 1 1060 . 1 1 95 95 THR CG2 C 13 21.267 0.100 2 1 . . . . 95 THR CG2 . 17157 1 1061 . 1 1 95 95 THR N N 15 117.405 0.100 13 1 . . . . 95 THR N . 17157 1 1062 . 1 1 96 96 GLY H H 1 8.420 0.020 12 1 . . . . 96 GLY H . 17157 1 1063 . 1 1 96 96 GLY HA2 H 1 4.046 0.020 2 1 . . . . 96 GLY HA2 . 17157 1 1064 . 1 1 96 96 GLY HA3 H 1 4.046 0.020 2 1 . . . . 96 GLY HA3 . 17157 1 1065 . 1 1 96 96 GLY CA C 13 45.048 0.100 4 1 . . . . 96 GLY CA . 17157 1 1066 . 1 1 96 96 GLY N N 15 111.253 0.100 12 1 . . . . 96 GLY N . 17157 1 1067 . 1 1 97 97 LYS H H 1 8.313 0.020 11 1 . . . . 97 LYS H . 17157 1 1068 . 1 1 97 97 LYS HA H 1 4.412 0.020 9 1 . . . . 97 LYS HA . 17157 1 1069 . 1 1 97 97 LYS HB2 H 1 1.924 0.020 19 2 . . . . 97 LYS HB2 . 17157 1 1070 . 1 1 97 97 LYS HB3 H 1 1.814 0.020 19 2 . . . . 97 LYS HB3 . 17157 1 1071 . 1 1 97 97 LYS HD2 H 1 1.739 0.020 5 2 . . . . 97 LYS HD2 . 17157 1 1072 . 1 1 97 97 LYS HD3 H 1 1.740 0.020 3 2 . . . . 97 LYS HD3 . 17157 1 1073 . 1 1 97 97 LYS HE2 H 1 3.058 0.020 2 2 . . . . 97 LYS HE2 . 17157 1 1074 . 1 1 97 97 LYS HE3 H 1 3.057 0.020 2 2 . . . . 97 LYS HE3 . 17157 1 1075 . 1 1 97 97 LYS HG2 H 1 1.492 0.020 8 2 . . . . 97 LYS HG2 . 17157 1 1076 . 1 1 97 97 LYS HG3 H 1 1.494 0.020 3 2 . . . . 97 LYS HG3 . 17157 1 1077 . 1 1 97 97 LYS CA C 13 56.061 0.100 7 1 . . . . 97 LYS CA . 17157 1 1078 . 1 1 97 97 LYS CB C 13 32.711 0.100 34 1 . . . . 97 LYS CB . 17157 1 1079 . 1 1 97 97 LYS CD C 13 28.723 0.100 6 1 . . . . 97 LYS CD . 17157 1 1080 . 1 1 97 97 LYS CE C 13 41.843 0.100 2 1 . . . . 97 LYS CE . 17157 1 1081 . 1 1 97 97 LYS CG C 13 24.342 0.100 9 1 . . . . 97 LYS CG . 17157 1 1082 . 1 1 97 97 LYS N N 15 120.909 0.100 11 1 . . . . 97 LYS N . 17157 1 1083 . 1 1 98 98 GLY H H 1 8.570 0.020 13 1 . . . . 98 GLY H . 17157 1 1084 . 1 1 98 98 GLY HA2 H 1 4.024 0.020 3 1 . . . . 98 GLY HA2 . 17157 1 1085 . 1 1 98 98 GLY HA3 H 1 4.024 0.020 1 1 . . . . 98 GLY HA3 . 17157 1 1086 . 1 1 98 98 GLY CA C 13 45.102 0.100 3 1 . . . . 98 GLY CA . 17157 1 1087 . 1 1 98 98 GLY N N 15 110.274 0.100 13 1 . . . . 98 GLY N . 17157 1 1088 . 1 1 99 99 GLN H H 1 8.371 0.020 10 1 . . . . 99 GLN H . 17157 1 1089 . 1 1 99 99 GLN HA H 1 4.417 0.020 6 1 . . . . 99 GLN HA . 17157 1 1090 . 1 1 99 99 GLN HB2 H 1 2.201 0.020 4 2 . . . . 99 GLN HB2 . 17157 1 1091 . 1 1 99 99 GLN HB3 H 1 2.033 0.020 4 2 . . . . 99 GLN HB3 . 17157 1 1092 . 1 1 99 99 GLN HG2 H 1 2.399 0.020 2 2 . . . . 99 GLN HG2 . 17157 1 1093 . 1 1 99 99 GLN HG3 H 1 2.387 0.020 5 2 . . . . 99 GLN HG3 . 17157 1 1094 . 1 1 99 99 GLN CA C 13 55.635 0.100 7 1 . . . . 99 GLN CA . 17157 1 1095 . 1 1 99 99 GLN CB C 13 29.093 0.100 4 1 . . . . 99 GLN CB . 17157 1 1096 . 1 1 99 99 GLN CG C 13 32.779 0.100 7 1 . . . . 99 GLN CG . 17157 1 1097 . 1 1 99 99 GLN N N 15 119.999 0.100 10 1 . . . . 99 GLN N . 17157 1 1098 . 1 1 100 100 ASP H H 1 8.461 0.020 16 1 . . . . 100 ASP H . 17157 1 1099 . 1 1 100 100 ASP HA H 1 4.660 0.020 3 1 . . . . 100 ASP HA . 17157 1 1100 . 1 1 100 100 ASP HB2 H 1 2.746 0.020 3 1 . . . . 100 ASP HB2 . 17157 1 1101 . 1 1 100 100 ASP HB3 H 1 2.746 0.020 3 1 . . . . 100 ASP HB3 . 17157 1 1102 . 1 1 100 100 ASP CA C 13 54.289 0.100 3 1 . . . . 100 ASP CA . 17157 1 1103 . 1 1 100 100 ASP CB C 13 40.890 0.100 3 1 . . . . 100 ASP CB . 17157 1 1104 . 1 1 100 100 ASP N N 15 121.038 0.100 16 1 . . . . 100 ASP N . 17157 1 1105 . 1 1 101 101 GLY H H 1 8.355 0.020 14 1 . . . . 101 GLY H . 17157 1 1106 . 1 1 101 101 GLY HA2 H 1 4.020 0.020 3 2 . . . . 101 GLY HA2 . 17157 1 1107 . 1 1 101 101 GLY HA3 H 1 4.021 0.020 2 2 . . . . 101 GLY HA3 . 17157 1 1108 . 1 1 101 101 GLY CA C 13 45.202 0.100 3 1 . . . . 101 GLY CA . 17157 1 1109 . 1 1 101 101 GLY N N 15 109.032 0.100 14 1 . . . . 101 GLY N . 17157 1 1110 . 1 1 102 102 ILE H H 1 8.063 0.020 10 1 . . . . 102 ILE H . 17157 1 1111 . 1 1 102 102 ILE HA H 1 4.244 0.020 17 1 . . . . 102 ILE HA . 17157 1 1112 . 1 1 102 102 ILE HB H 1 1.975 0.020 5 1 . . . . 102 ILE HB . 17157 1 1113 . 1 1 102 102 ILE HD11 H 1 0.917 0.020 9 1 . . . . 102 ILE MD . 17157 1 1114 . 1 1 102 102 ILE HD12 H 1 0.917 0.020 9 1 . . . . 102 ILE MD . 17157 1 1115 . 1 1 102 102 ILE HD13 H 1 0.917 0.020 9 1 . . . . 102 ILE MD . 17157 1 1116 . 1 1 102 102 ILE HG12 H 1 1.511 0.020 2 2 . . . . 102 ILE HG12 . 17157 1 1117 . 1 1 102 102 ILE HG13 H 1 1.242 0.020 1 2 . . . . 102 ILE HG13 . 17157 1 1118 . 1 1 102 102 ILE HG21 H 1 0.980 0.020 3 1 . . . . 102 ILE MG . 17157 1 1119 . 1 1 102 102 ILE HG22 H 1 0.980 0.020 3 1 . . . . 102 ILE MG . 17157 1 1120 . 1 1 102 102 ILE HG23 H 1 0.980 0.020 3 1 . . . . 102 ILE MG . 17157 1 1121 . 1 1 102 102 ILE CA C 13 61.207 0.100 15 1 . . . . 102 ILE CA . 17157 1 1122 . 1 1 102 102 ILE CB C 13 38.165 0.100 3 1 . . . . 102 ILE CB . 17157 1 1123 . 1 1 102 102 ILE CD1 C 13 12.637 0.100 8 1 . . . . 102 ILE CD1 . 17157 1 1124 . 1 1 102 102 ILE CG1 C 13 26.937 0.100 1 1 . . . . 102 ILE CG1 . 17157 1 1125 . 1 1 102 102 ILE CG2 C 13 17.157 0.100 2 1 . . . . 102 ILE CG2 . 17157 1 1126 . 1 1 102 102 ILE N N 15 120.086 0.100 10 1 . . . . 102 ILE N . 17157 1 1127 . 1 1 103 103 GLY H H 1 8.597 0.020 10 1 . . . . 103 GLY H . 17157 1 1128 . 1 1 103 103 GLY HA2 H 1 4.048 0.020 3 1 . . . . 103 GLY HA2 . 17157 1 1129 . 1 1 103 103 GLY HA3 H 1 4.048 0.020 3 1 . . . . 103 GLY HA3 . 17157 1 1130 . 1 1 103 103 GLY CA C 13 45.007 0.100 3 1 . . . . 103 GLY CA . 17157 1 1131 . 1 1 103 103 GLY N N 15 112.839 0.100 10 1 . . . . 103 GLY N . 17157 1 1132 . 1 1 104 104 SER H H 1 8.222 0.020 9 1 . . . . 104 SER H . 17157 1 1133 . 1 1 104 104 SER HA H 1 4.515 0.020 1 1 . . . . 104 SER HA . 17157 1 1134 . 1 1 104 104 SER HB2 H 1 3.918 0.020 1 2 . . . . 104 SER HB2 . 17157 1 1135 . 1 1 104 104 SER HB3 H 1 3.919 0.020 1 2 . . . . 104 SER HB3 . 17157 1 1136 . 1 1 104 104 SER CA C 13 57.998 0.100 2 1 . . . . 104 SER CA . 17157 1 1137 . 1 1 104 104 SER CB C 13 63.666 0.100 2 1 . . . . 104 SER CB . 17157 1 1138 . 1 1 104 104 SER N N 15 115.843 0.100 9 1 . . . . 104 SER N . 17157 1 1139 . 1 1 105 105 LYS H H 1 8.392 0.020 11 1 . . . . 105 LYS H . 17157 1 1140 . 1 1 105 105 LYS HA H 1 4.421 0.020 7 1 . . . . 105 LYS HA . 17157 1 1141 . 1 1 105 105 LYS HB2 H 1 1.924 0.020 15 2 . . . . 105 LYS HB2 . 17157 1 1142 . 1 1 105 105 LYS HB3 H 1 1.819 0.020 8 2 . . . . 105 LYS HB3 . 17157 1 1143 . 1 1 105 105 LYS HD2 H 1 1.740 0.020 1 2 . . . . 105 LYS HD2 . 17157 1 1144 . 1 1 105 105 LYS HD3 H 1 1.742 0.020 1 2 . . . . 105 LYS HD3 . 17157 1 1145 . 1 1 105 105 LYS HE2 H 1 3.061 0.020 2 1 . . . . 105 LYS HE2 . 17157 1 1146 . 1 1 105 105 LYS HE3 H 1 3.061 0.020 2 1 . . . . 105 LYS HE3 . 17157 1 1147 . 1 1 105 105 LYS HG2 H 1 1.492 0.020 1 1 . . . . 105 LYS HG2 . 17157 1 1148 . 1 1 105 105 LYS HG3 H 1 1.492 0.020 1 1 . . . . 105 LYS HG3 . 17157 1 1149 . 1 1 105 105 LYS CA C 13 55.833 0.100 5 1 . . . . 105 LYS CA . 17157 1 1150 . 1 1 105 105 LYS CB C 13 32.866 0.100 21 1 . . . . 105 LYS CB . 17157 1 1151 . 1 1 105 105 LYS CD C 13 28.674 0.100 2 1 . . . . 105 LYS CD . 17157 1 1152 . 1 1 105 105 LYS CG C 13 24.270 0.100 2 1 . . . . 105 LYS CG . 17157 1 1153 . 1 1 105 105 LYS N N 15 123.302 0.100 11 1 . . . . 105 LYS N . 17157 1 1154 . 1 1 106 106 ALA H H 1 8.394 0.020 13 1 . . . . 106 ALA H . 17157 1 1155 . 1 1 106 106 ALA HA H 1 4.407 0.020 3 1 . . . . 106 ALA HA . 17157 1 1156 . 1 1 106 106 ALA HB1 H 1 1.440 0.020 4 1 . . . . 106 ALA MB . 17157 1 1157 . 1 1 106 106 ALA HB2 H 1 1.440 0.020 4 1 . . . . 106 ALA MB . 17157 1 1158 . 1 1 106 106 ALA HB3 H 1 1.440 0.020 4 1 . . . . 106 ALA MB . 17157 1 1159 . 1 1 106 106 ALA CA C 13 52.113 0.100 4 1 . . . . 106 ALA CA . 17157 1 1160 . 1 1 106 106 ALA CB C 13 18.962 0.100 4 1 . . . . 106 ALA CB . 17157 1 1161 . 1 1 106 106 ALA N N 15 126.544 0.100 13 1 . . . . 106 ALA N . 17157 1 1162 . 1 1 107 107 GLU H H 1 7.980 0.020 15 1 . . . . 107 GLU H . 17157 1 1163 . 1 1 107 107 GLU HA H 1 4.175 0.020 1 1 . . . . 107 GLU HA . 17157 1 1164 . 1 1 107 107 GLU HB2 H 1 2.109 0.020 1 2 . . . . 107 GLU HB2 . 17157 1 1165 . 1 1 107 107 GLU HB3 H 1 1.950 0.020 1 2 . . . . 107 GLU HB3 . 17157 1 1166 . 1 1 107 107 GLU CA C 13 57.605 0.100 1 1 . . . . 107 GLU CA . 17157 1 1167 . 1 1 107 107 GLU CB C 13 30.954 0.100 1 1 . . . . 107 GLU CB . 17157 1 1168 . 1 1 107 107 GLU N N 15 125.564 0.100 15 1 . . . . 107 GLU N . 17157 1 stop_ save_