data_17158 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17158 _Entry.Title ; DNA repair protein zinc finger 2 ; _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 . . . 17158 2 Sebastian Eustermann . . . 17158 3 Ji-Chun Yang . . . 17158 4 Hortense Videler . . . 17158 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17158 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 17158 'zinc finger' . 17158 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17158 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 17158 '15N chemical shifts' 110 17158 '1H chemical shifts' 693 17158 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' 17158 1 . . 2011-01-27 2010-08-30 original author 'original release' 17158 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17157 'PARP-1 Finger 1' 17158 PDB 2L31 'BMRB Entry Tracking System' 17158 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17158 _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 . . . 17158 1 2 Hortense Videler . . . 17158 1 3 Ji-Chun Yang . . . 17158 1 4 Paul Cole . T. . 17158 1 5 Dominika Gruszka . . . 17158 1 6 Dmitry Veprintsev . . . 17158 1 7 David Neuhaus . . . 17158 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17158 _Assembly.ID 1 _Assembly.Name 'PARP-1 Finger 2' _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 2' 1 $PARP-1_Finger_2 A . yes native no no . . . 17158 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 17158 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 2' 1 CYS 23 23 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 125 CYS SG . . 1 ZN ZN 17158 1 2 coordination single . 1 'PARP-1 Finger 2' 1 CYS 26 26 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 128 CYS SG . . 1 ZN ZN 17158 1 3 coordination single . 1 'PARP-1 Finger 2' 1 HIS 57 57 ND1 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 159 HIS ND1 . . 1 ZN ZN 17158 1 4 coordination single . 1 'PARP-1 Finger 2' 1 CYS 60 60 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 162 CYS SG . . 1 ZN ZN 17158 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PARP-1_Finger_2 _Entity.Sf_category entity _Entity.Sf_framecode PARP-1_Finger_2 _Entity.Entry_ID 17158 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PARP-1_Finger_2 _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 ; GSKAEKTLGDFAAEYAKSNR STCKGCMEKIEKGQVRLSKK MVDPEKPQLGMIDRWYHPGC FVKNREELGFRPEYSASQLK GFSLLATEDKEALKKQLPGV KSEGKRKGDEVD ; _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 112 _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 . _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 2CS2 . "Solution Structure Of The Second Zn-Finger Domain Of Poly(Adp-Ribose) Polymerase-1" . . . . . 100.00 134 100.00 100.00 9.45e-75 . . . . 17158 1 2 no PDB 2L31 . "Human Parp-1 Zinc Finger 2" . . . . . 100.00 112 100.00 100.00 1.41e-74 . . . . 17158 1 3 no PDB 3ODC . "Human Parp-1 Zinc Finger 2 (Zn2) Bound To Dna" . . . . . 91.07 111 100.00 100.00 1.04e-67 . . . . 17158 1 4 no PDB 3ODE . "Human Parp-1 Zinc Finger 2 (Zn2) Bound To Dna" . . . . . 91.07 111 100.00 100.00 1.04e-67 . . . . 17158 1 5 no REF XP_002809428 . "PREDICTED: poly [ADP-ribose] polymerase 1 [Pongo abelii]" . . . . . 100.00 972 99.11 100.00 3.79e-68 . . . . 17158 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 1 103 GLY . 17158 1 2 104 SER . 17158 1 3 105 LYS . 17158 1 4 106 ALA . 17158 1 5 107 GLU . 17158 1 6 108 LYS . 17158 1 7 109 THR . 17158 1 8 110 LEU . 17158 1 9 111 GLY . 17158 1 10 112 ASP . 17158 1 11 113 PHE . 17158 1 12 114 ALA . 17158 1 13 115 ALA . 17158 1 14 116 GLU . 17158 1 15 117 TYR . 17158 1 16 118 ALA . 17158 1 17 119 LYS . 17158 1 18 120 SER . 17158 1 19 121 ASN . 17158 1 20 122 ARG . 17158 1 21 123 SER . 17158 1 22 124 THR . 17158 1 23 125 CYS . 17158 1 24 126 LYS . 17158 1 25 127 GLY . 17158 1 26 128 CYS . 17158 1 27 129 MET . 17158 1 28 130 GLU . 17158 1 29 131 LYS . 17158 1 30 132 ILE . 17158 1 31 133 GLU . 17158 1 32 134 LYS . 17158 1 33 135 GLY . 17158 1 34 136 GLN . 17158 1 35 137 VAL . 17158 1 36 138 ARG . 17158 1 37 139 LEU . 17158 1 38 140 SER . 17158 1 39 141 LYS . 17158 1 40 142 LYS . 17158 1 41 143 MET . 17158 1 42 144 VAL . 17158 1 43 145 ASP . 17158 1 44 146 PRO . 17158 1 45 147 GLU . 17158 1 46 148 LYS . 17158 1 47 149 PRO . 17158 1 48 150 GLN . 17158 1 49 151 LEU . 17158 1 50 152 GLY . 17158 1 51 153 MET . 17158 1 52 154 ILE . 17158 1 53 155 ASP . 17158 1 54 156 ARG . 17158 1 55 157 TRP . 17158 1 56 158 TYR . 17158 1 57 159 HIS . 17158 1 58 160 PRO . 17158 1 59 161 GLY . 17158 1 60 162 CYS . 17158 1 61 163 PHE . 17158 1 62 164 VAL . 17158 1 63 165 LYS . 17158 1 64 166 ASN . 17158 1 65 167 ARG . 17158 1 66 168 GLU . 17158 1 67 169 GLU . 17158 1 68 170 LEU . 17158 1 69 171 GLY . 17158 1 70 172 PHE . 17158 1 71 173 ARG . 17158 1 72 174 PRO . 17158 1 73 175 GLU . 17158 1 74 176 TYR . 17158 1 75 177 SER . 17158 1 76 178 ALA . 17158 1 77 179 SER . 17158 1 78 180 GLN . 17158 1 79 181 LEU . 17158 1 80 182 LYS . 17158 1 81 183 GLY . 17158 1 82 184 PHE . 17158 1 83 185 SER . 17158 1 84 186 LEU . 17158 1 85 187 LEU . 17158 1 86 188 ALA . 17158 1 87 189 THR . 17158 1 88 190 GLU . 17158 1 89 191 ASP . 17158 1 90 192 LYS . 17158 1 91 193 GLU . 17158 1 92 194 ALA . 17158 1 93 195 LEU . 17158 1 94 196 LYS . 17158 1 95 197 LYS . 17158 1 96 198 GLN . 17158 1 97 199 LEU . 17158 1 98 200 PRO . 17158 1 99 201 GLY . 17158 1 100 202 VAL . 17158 1 101 203 LYS . 17158 1 102 204 SER . 17158 1 103 205 GLU . 17158 1 104 206 GLY . 17158 1 105 207 LYS . 17158 1 106 208 ARG . 17158 1 107 209 LYS . 17158 1 108 210 GLY . 17158 1 109 211 ASP . 17158 1 110 212 GLU . 17158 1 111 213 VAL . 17158 1 112 214 ASP . 17158 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17158 1 . SER 2 2 17158 1 . LYS 3 3 17158 1 . ALA 4 4 17158 1 . GLU 5 5 17158 1 . LYS 6 6 17158 1 . THR 7 7 17158 1 . LEU 8 8 17158 1 . GLY 9 9 17158 1 . ASP 10 10 17158 1 . PHE 11 11 17158 1 . ALA 12 12 17158 1 . ALA 13 13 17158 1 . GLU 14 14 17158 1 . TYR 15 15 17158 1 . ALA 16 16 17158 1 . LYS 17 17 17158 1 . SER 18 18 17158 1 . ASN 19 19 17158 1 . ARG 20 20 17158 1 . SER 21 21 17158 1 . THR 22 22 17158 1 . CYS 23 23 17158 1 . LYS 24 24 17158 1 . GLY 25 25 17158 1 . CYS 26 26 17158 1 . MET 27 27 17158 1 . GLU 28 28 17158 1 . LYS 29 29 17158 1 . ILE 30 30 17158 1 . GLU 31 31 17158 1 . LYS 32 32 17158 1 . GLY 33 33 17158 1 . GLN 34 34 17158 1 . VAL 35 35 17158 1 . ARG 36 36 17158 1 . LEU 37 37 17158 1 . SER 38 38 17158 1 . LYS 39 39 17158 1 . LYS 40 40 17158 1 . MET 41 41 17158 1 . VAL 42 42 17158 1 . ASP 43 43 17158 1 . PRO 44 44 17158 1 . GLU 45 45 17158 1 . LYS 46 46 17158 1 . PRO 47 47 17158 1 . GLN 48 48 17158 1 . LEU 49 49 17158 1 . GLY 50 50 17158 1 . MET 51 51 17158 1 . ILE 52 52 17158 1 . ASP 53 53 17158 1 . ARG 54 54 17158 1 . TRP 55 55 17158 1 . TYR 56 56 17158 1 . HIS 57 57 17158 1 . PRO 58 58 17158 1 . GLY 59 59 17158 1 . CYS 60 60 17158 1 . PHE 61 61 17158 1 . VAL 62 62 17158 1 . LYS 63 63 17158 1 . ASN 64 64 17158 1 . ARG 65 65 17158 1 . GLU 66 66 17158 1 . GLU 67 67 17158 1 . LEU 68 68 17158 1 . GLY 69 69 17158 1 . PHE 70 70 17158 1 . ARG 71 71 17158 1 . PRO 72 72 17158 1 . GLU 73 73 17158 1 . TYR 74 74 17158 1 . SER 75 75 17158 1 . ALA 76 76 17158 1 . SER 77 77 17158 1 . GLN 78 78 17158 1 . LEU 79 79 17158 1 . LYS 80 80 17158 1 . GLY 81 81 17158 1 . PHE 82 82 17158 1 . SER 83 83 17158 1 . LEU 84 84 17158 1 . LEU 85 85 17158 1 . ALA 86 86 17158 1 . THR 87 87 17158 1 . GLU 88 88 17158 1 . ASP 89 89 17158 1 . LYS 90 90 17158 1 . GLU 91 91 17158 1 . ALA 92 92 17158 1 . LEU 93 93 17158 1 . LYS 94 94 17158 1 . LYS 95 95 17158 1 . GLN 96 96 17158 1 . LEU 97 97 17158 1 . PRO 98 98 17158 1 . GLY 99 99 17158 1 . VAL 100 100 17158 1 . LYS 101 101 17158 1 . SER 102 102 17158 1 . GLU 103 103 17158 1 . GLY 104 104 17158 1 . LYS 105 105 17158 1 . ARG 106 106 17158 1 . LYS 107 107 17158 1 . GLY 108 108 17158 1 . ASP 109 109 17158 1 . GLU 110 110 17158 1 . VAL 111 111 17158 1 . ASP 112 112 17158 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17158 _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 . 17158 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 17158 _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_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17158 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 17158 _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_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET28A . . . . . . 17158 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 17158 _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 17158 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17158 ZN [Zn++] SMILES CACTVS 3.341 17158 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17158 ZN [Zn+2] SMILES ACDLabs 10.04 17158 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17158 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17158 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 17158 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17158 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 . . 17158 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17158 _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 2' '[U-98% 15N; U-98% 13C]' . . 1 $PARP-1_Finger_2 . . . 0.5 1 mM . . . . 17158 1 2 TRIS '[U-99% 2H]' . . . . . . 50 . . mM . . . . 17158 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17158 1 4 'zinc sulfate' 'natural abundance' . . 2 $ZN . . 150 . . uM . . . . 17158 1 5 DTT '[U-99% 2H]' . . . . . . 4 . . mM . . . . 17158 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17158 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17158 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 17158 _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 17158 1 pH 7.0 . pH 17158 1 pressure 1 . atm 17158 1 temperature 300 . K 17158 1 stop_ save_ ############################ # Computer software used # ############################ save_ATNOSCANDID _Software.Sf_category software _Software.Sf_framecode ATNOSCANDID _Software.Entry_ID 17158 _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' . . 17158 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17158 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17158 _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' . . 17158 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17158 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 17158 _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 17158 _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 17158 _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 17158 _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 . . . 17158 1 2 spectrometer_2 Bruker DMX . 600 . . . 17158 1 3 spectrometer_3 Bruker DRX . 500 . . . 17158 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 17158 _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 . . . . . . . . . . . . . . . . . . . . . 17158 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 1 5 '2D 1H-1H NOESY 15N-filtered' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 1 6 '3D CBCAHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 1 8 '3D HBHAHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 1 10 '3D [1H-13C-1H] HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 1 11 '3D [13C-13C-1H] HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17158 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 17158 _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' . . . . . . . . 17158 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17158 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17158 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 17158 _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' . . . 17158 1 2 '2D 1H-13C HSQC aliphatic' . . . 17158 1 3 '2D 1H-13C HSQC aromatic' . . . 17158 1 4 '2D 1H-1H NOESY' . . . 17158 1 5 '2D 1H-1H NOESY 15N-filtered' . . . 17158 1 6 '3D CBCAHN' . . . 17158 1 7 '3D CBCA(CO)NH' . . . 17158 1 8 '3D HBHAHN' . . . 17158 1 9 '3D HBHA(CO)NH' . . . 17158 1 10 '3D [1H-13C-1H] HCCH-TOCSY' . . . 17158 1 11 '3D [13C-13C-1H] HCCH-TOCSY' . . . 17158 1 12 '3D 1H-15N NOESY' . . . 17158 1 13 '3D 1H-13C NOESY aliphatic' . . . 17158 1 14 '3D 1H-13C NOESY aromatic' . . . 17158 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 2 2 SER HA H 1 4.563 0.020 3 1 . . . . 104 SER HA . 17158 1 2 . 1 1 2 2 SER HB2 H 1 3.938 0.020 7 2 . . . . 104 SER HB2 . 17158 1 3 . 1 1 2 2 SER HB3 H 1 3.908 0.020 3 2 . . . . 104 SER HB3 . 17158 1 4 . 1 1 2 2 SER CA C 13 58.341 0.100 2 1 . . . . 104 SER CA . 17158 1 5 . 1 1 2 2 SER CB C 13 64.079 0.100 9 1 . . . . 104 SER CB . 17158 1 6 . 1 1 3 3 LYS HA H 1 4.365 0.020 1 1 . . . . 105 LYS HA . 17158 1 7 . 1 1 3 3 LYS HB2 H 1 1.892 0.020 1 2 . . . . 105 LYS HB2 . 17158 1 8 . 1 1 3 3 LYS HB3 H 1 1.822 0.020 1 2 . . . . 105 LYS HB3 . 17158 1 9 . 1 1 3 3 LYS CA C 13 56.686 0.100 2 1 . . . . 105 LYS CA . 17158 1 10 . 1 1 3 3 LYS CB C 13 32.947 0.100 2 1 . . . . 105 LYS CB . 17158 1 11 . 1 1 4 4 ALA H H 1 8.343 0.020 12 1 . . . . 106 ALA H . 17158 1 12 . 1 1 4 4 ALA HA H 1 4.335 0.020 4 1 . . . . 106 ALA HA . 17158 1 13 . 1 1 4 4 ALA HB1 H 1 1.409 0.020 4 1 . . . . 106 ALA MB . 17158 1 14 . 1 1 4 4 ALA HB2 H 1 1.409 0.020 4 1 . . . . 106 ALA MB . 17158 1 15 . 1 1 4 4 ALA HB3 H 1 1.409 0.020 4 1 . . . . 106 ALA MB . 17158 1 16 . 1 1 4 4 ALA CA C 13 52.609 0.100 4 1 . . . . 106 ALA CA . 17158 1 17 . 1 1 4 4 ALA CB C 13 19.302 0.100 4 1 . . . . 106 ALA CB . 17158 1 18 . 1 1 4 4 ALA N N 15 125.197 0.100 12 1 . . . . 106 ALA N . 17158 1 19 . 1 1 5 5 GLU H H 1 8.324 0.020 13 1 . . . . 107 GLU H . 17158 1 20 . 1 1 5 5 GLU HA H 1 4.371 0.020 1 1 . . . . 107 GLU HA . 17158 1 21 . 1 1 5 5 GLU HB2 H 1 1.906 0.020 2 2 . . . . 107 GLU HB2 . 17158 1 22 . 1 1 5 5 GLU HB3 H 1 1.803 0.020 1 2 . . . . 107 GLU HB3 . 17158 1 23 . 1 1 5 5 GLU HG2 H 1 2.297 0.020 1 2 . . . . 107 GLU HG2 . 17158 1 24 . 1 1 5 5 GLU CA C 13 56.032 0.100 3 1 . . . . 107 GLU CA . 17158 1 25 . 1 1 5 5 GLU CB C 13 30.992 0.100 3 1 . . . . 107 GLU CB . 17158 1 26 . 1 1 5 5 GLU CG C 13 32.135 0.100 1 1 . . . . 107 GLU CG . 17158 1 27 . 1 1 5 5 GLU N N 15 120.292 0.100 12 1 . . . . 107 GLU N . 17158 1 28 . 1 1 6 6 LYS H H 1 8.636 0.020 12 1 . . . . 108 LYS H . 17158 1 29 . 1 1 6 6 LYS HA H 1 4.376 0.020 2 1 . . . . 108 LYS HA . 17158 1 30 . 1 1 6 6 LYS HB2 H 1 1.848 0.020 3 2 . . . . 108 LYS HB2 . 17158 1 31 . 1 1 6 6 LYS CA C 13 56.504 0.100 3 1 . . . . 108 LYS CA . 17158 1 32 . 1 1 6 6 LYS CB C 13 33.012 0.100 3 1 . . . . 108 LYS CB . 17158 1 33 . 1 1 6 6 LYS N N 15 123.866 0.100 12 1 . . . . 108 LYS N . 17158 1 34 . 1 1 7 7 THR H H 1 8.148 0.020 12 1 . . . . 109 THR H . 17158 1 35 . 1 1 7 7 THR HA H 1 4.407 0.020 5 1 . . . . 109 THR HA . 17158 1 36 . 1 1 7 7 THR HB H 1 4.047 0.020 11 1 . . . . 109 THR HB . 17158 1 37 . 1 1 7 7 THR HG21 H 1 1.295 0.020 2 1 . . . . 109 THR MG . 17158 1 38 . 1 1 7 7 THR HG22 H 1 1.295 0.020 2 1 . . . . 109 THR MG . 17158 1 39 . 1 1 7 7 THR HG23 H 1 1.295 0.020 2 1 . . . . 109 THR MG . 17158 1 40 . 1 1 7 7 THR CA C 13 62.648 0.100 5 1 . . . . 109 THR CA . 17158 1 41 . 1 1 7 7 THR CB C 13 70.396 0.100 11 1 . . . . 109 THR CB . 17158 1 42 . 1 1 7 7 THR CG2 C 13 22.160 0.100 2 1 . . . . 109 THR CG2 . 17158 1 43 . 1 1 7 7 THR N N 15 116.661 0.100 12 1 . . . . 109 THR N . 17158 1 44 . 1 1 8 8 LEU H H 1 8.978 0.020 13 1 . . . . 110 LEU H . 17158 1 45 . 1 1 8 8 LEU HA H 1 4.415 0.020 15 1 . . . . 110 LEU HA . 17158 1 46 . 1 1 8 8 LEU HB2 H 1 2.002 0.020 14 2 . . . . 110 LEU HB2 . 17158 1 47 . 1 1 8 8 LEU HB3 H 1 1.841 0.020 15 2 . . . . 110 LEU HB3 . 17158 1 48 . 1 1 8 8 LEU HD11 H 1 0.480 0.020 14 2 . . . . 110 LEU MD1 . 17158 1 49 . 1 1 8 8 LEU HD12 H 1 0.480 0.020 14 2 . . . . 110 LEU MD1 . 17158 1 50 . 1 1 8 8 LEU HD13 H 1 0.480 0.020 14 2 . . . . 110 LEU MD1 . 17158 1 51 . 1 1 8 8 LEU HD21 H 1 0.408 0.020 14 2 . . . . 110 LEU MD2 . 17158 1 52 . 1 1 8 8 LEU HD22 H 1 0.408 0.020 14 2 . . . . 110 LEU MD2 . 17158 1 53 . 1 1 8 8 LEU HD23 H 1 0.408 0.020 14 2 . . . . 110 LEU MD2 . 17158 1 54 . 1 1 8 8 LEU HG H 1 1.560 0.020 7 1 . . . . 110 LEU HG . 17158 1 55 . 1 1 8 8 LEU CA C 13 54.697 0.100 13 1 . . . . 110 LEU CA . 17158 1 56 . 1 1 8 8 LEU CB C 13 42.786 0.100 23 1 . . . . 110 LEU CB . 17158 1 57 . 1 1 8 8 LEU CD1 C 13 22.123 0.100 12 2 . . . . 110 LEU CD1 . 17158 1 58 . 1 1 8 8 LEU CD2 C 13 26.511 0.100 9 2 . . . . 110 LEU CD2 . 17158 1 59 . 1 1 8 8 LEU CG C 13 25.146 0.100 1 1 . . . . 110 LEU CG . 17158 1 60 . 1 1 8 8 LEU N N 15 127.721 0.100 13 1 . . . . 110 LEU N . 17158 1 61 . 1 1 9 9 GLY H H 1 8.490 0.020 14 1 . . . . 111 GLY H . 17158 1 62 . 1 1 9 9 GLY HA2 H 1 4.057 0.020 3 2 . . . . 111 GLY HA2 . 17158 1 63 . 1 1 9 9 GLY HA3 H 1 3.872 0.020 3 2 . . . . 111 GLY HA3 . 17158 1 64 . 1 1 9 9 GLY CA C 13 46.251 0.100 3 1 . . . . 111 GLY CA . 17158 1 65 . 1 1 9 9 GLY N N 15 107.220 0.100 14 1 . . . . 111 GLY N . 17158 1 66 . 1 1 10 10 ASP H H 1 8.666 0.020 11 1 . . . . 112 ASP H . 17158 1 67 . 1 1 10 10 ASP HA H 1 4.505 0.020 5 1 . . . . 112 ASP HA . 17158 1 68 . 1 1 10 10 ASP HB2 H 1 2.490 0.020 3 2 . . . . 112 ASP HB2 . 17158 1 69 . 1 1 10 10 ASP HB3 H 1 2.426 0.020 1 2 . . . . 112 ASP HB3 . 17158 1 70 . 1 1 10 10 ASP CA C 13 54.101 0.100 5 1 . . . . 112 ASP CA . 17158 1 71 . 1 1 10 10 ASP CB C 13 40.523 0.100 3 1 . . . . 112 ASP CB . 17158 1 72 . 1 1 10 10 ASP N N 15 116.181 0.100 11 1 . . . . 112 ASP N . 17158 1 73 . 1 1 11 11 PHE H H 1 7.353 0.020 15 1 . . . . 113 PHE H . 17158 1 74 . 1 1 11 11 PHE HA H 1 5.779 0.020 8 1 . . . . 113 PHE HA . 17158 1 75 . 1 1 11 11 PHE HB2 H 1 3.202 0.020 11 2 . . . . 113 PHE HB2 . 17158 1 76 . 1 1 11 11 PHE HB3 H 1 2.883 0.020 10 2 . . . . 113 PHE HB3 . 17158 1 77 . 1 1 11 11 PHE HD1 H 1 7.640 0.020 7 1 . . . . 113 PHE HD1 . 17158 1 78 . 1 1 11 11 PHE HD2 H 1 7.640 0.020 7 1 . . . . 113 PHE HD2 . 17158 1 79 . 1 1 11 11 PHE HE1 H 1 7.519 0.020 3 1 . . . . 113 PHE HE1 . 17158 1 80 . 1 1 11 11 PHE HE2 H 1 7.519 0.020 3 1 . . . . 113 PHE HE2 . 17158 1 81 . 1 1 11 11 PHE HZ H 1 6.392 0.020 0 1 . . . . 113 PHE HZ . 17158 1 82 . 1 1 11 11 PHE CA C 13 56.498 0.100 4 1 . . . . 113 PHE CA . 17158 1 83 . 1 1 11 11 PHE CB C 13 44.224 0.100 14 1 . . . . 113 PHE CB . 17158 1 84 . 1 1 11 11 PHE CD1 C 13 133.569 0.100 3 1 . . . . 113 PHE CD1 . 17158 1 85 . 1 1 11 11 PHE CD2 C 13 133.569 0.100 3 1 . . . . 113 PHE CD2 . 17158 1 86 . 1 1 11 11 PHE CE1 C 13 131.532 0.100 2 1 . . . . 113 PHE CE1 . 17158 1 87 . 1 1 11 11 PHE CE2 C 13 131.532 0.100 2 1 . . . . 113 PHE CE2 . 17158 1 88 . 1 1 11 11 PHE CZ C 13 129.284 0.100 0 1 . . . . 113 PHE CZ . 17158 1 89 . 1 1 11 11 PHE N N 15 116.313 0.100 15 1 . . . . 113 PHE N . 17158 1 90 . 1 1 12 12 ALA H H 1 8.428 0.020 15 1 . . . . 114 ALA H . 17158 1 91 . 1 1 12 12 ALA HA H 1 5.409 0.020 4 1 . . . . 114 ALA HA . 17158 1 92 . 1 1 12 12 ALA HB1 H 1 1.412 0.020 4 1 . . . . 114 ALA MB . 17158 1 93 . 1 1 12 12 ALA HB2 H 1 1.412 0.020 4 1 . . . . 114 ALA MB . 17158 1 94 . 1 1 12 12 ALA HB3 H 1 1.412 0.020 4 1 . . . . 114 ALA MB . 17158 1 95 . 1 1 12 12 ALA CA C 13 50.871 0.100 4 1 . . . . 114 ALA CA . 17158 1 96 . 1 1 12 12 ALA CB C 13 24.134 0.100 3 1 . . . . 114 ALA CB . 17158 1 97 . 1 1 12 12 ALA N N 15 123.738 0.100 15 1 . . . . 114 ALA N . 17158 1 98 . 1 1 13 13 ALA H H 1 8.673 0.020 11 1 . . . . 115 ALA H . 17158 1 99 . 1 1 13 13 ALA HA H 1 5.506 0.020 4 1 . . . . 115 ALA HA . 17158 1 100 . 1 1 13 13 ALA HB1 H 1 1.092 0.020 4 1 . . . . 115 ALA MB . 17158 1 101 . 1 1 13 13 ALA HB2 H 1 1.092 0.020 4 1 . . . . 115 ALA MB . 17158 1 102 . 1 1 13 13 ALA HB3 H 1 1.092 0.020 4 1 . . . . 115 ALA MB . 17158 1 103 . 1 1 13 13 ALA CA C 13 50.453 0.100 3 1 . . . . 115 ALA CA . 17158 1 104 . 1 1 13 13 ALA CB C 13 24.015 0.100 5 1 . . . . 115 ALA CB . 17158 1 105 . 1 1 13 13 ALA N N 15 118.691 0.100 11 1 . . . . 115 ALA N . 17158 1 106 . 1 1 14 14 GLU H H 1 8.693 0.020 15 1 . . . . 116 GLU H . 17158 1 107 . 1 1 14 14 GLU HA H 1 4.429 0.020 13 1 . . . . 116 GLU HA . 17158 1 108 . 1 1 14 14 GLU HB2 H 1 2.373 0.020 8 2 . . . . 116 GLU HB2 . 17158 1 109 . 1 1 14 14 GLU HB3 H 1 1.867 0.020 6 2 . . . . 116 GLU HB3 . 17158 1 110 . 1 1 14 14 GLU HG2 H 1 2.196 0.020 2 2 . . . . 116 GLU HG2 . 17158 1 111 . 1 1 14 14 GLU CA C 13 54.941 0.100 16 1 . . . . 116 GLU CA . 17158 1 112 . 1 1 14 14 GLU CB C 13 32.399 0.100 8 1 . . . . 116 GLU CB . 17158 1 113 . 1 1 14 14 GLU CG C 13 35.744 0.100 4 1 . . . . 116 GLU CG . 17158 1 114 . 1 1 14 14 GLU N N 15 115.305 0.100 14 1 . . . . 116 GLU N . 17158 1 115 . 1 1 15 15 TYR H H 1 8.162 0.020 14 1 . . . . 117 TYR H . 17158 1 116 . 1 1 15 15 TYR HA H 1 4.707 0.020 6 1 . . . . 117 TYR HA . 17158 1 117 . 1 1 15 15 TYR HB2 H 1 2.602 0.020 10 2 . . . . 117 TYR HB2 . 17158 1 118 . 1 1 15 15 TYR HD1 H 1 7.032 0.020 13 1 . . . . 117 TYR HD1 . 17158 1 119 . 1 1 15 15 TYR HD2 H 1 7.032 0.020 13 1 . . . . 117 TYR HD2 . 17158 1 120 . 1 1 15 15 TYR HE1 H 1 6.860 0.020 8 1 . . . . 117 TYR HE1 . 17158 1 121 . 1 1 15 15 TYR HE2 H 1 6.860 0.020 8 1 . . . . 117 TYR HE2 . 17158 1 122 . 1 1 15 15 TYR CA C 13 58.039 0.100 4 1 . . . . 117 TYR CA . 17158 1 123 . 1 1 15 15 TYR CB C 13 38.923 0.100 7 1 . . . . 117 TYR CB . 17158 1 124 . 1 1 15 15 TYR CD1 C 13 132.967 0.100 6 1 . . . . 117 TYR CD1 . 17158 1 125 . 1 1 15 15 TYR CD2 C 13 132.967 0.100 6 1 . . . . 117 TYR CD2 . 17158 1 126 . 1 1 15 15 TYR CE1 C 13 117.915 0.100 3 1 . . . . 117 TYR CE1 . 17158 1 127 . 1 1 15 15 TYR CE2 C 13 117.915 0.100 3 1 . . . . 117 TYR CE2 . 17158 1 128 . 1 1 15 15 TYR N N 15 117.006 0.100 13 1 . . . . 117 TYR N . 17158 1 129 . 1 1 16 16 ALA H H 1 9.147 0.020 19 1 . . . . 118 ALA H . 17158 1 130 . 1 1 16 16 ALA HA H 1 3.868 0.020 3 1 . . . . 118 ALA HA . 17158 1 131 . 1 1 16 16 ALA HB1 H 1 1.387 0.020 4 1 . . . . 118 ALA MB . 17158 1 132 . 1 1 16 16 ALA HB2 H 1 1.387 0.020 4 1 . . . . 118 ALA MB . 17158 1 133 . 1 1 16 16 ALA HB3 H 1 1.387 0.020 4 1 . . . . 118 ALA MB . 17158 1 134 . 1 1 16 16 ALA CA C 13 53.050 0.100 2 1 . . . . 118 ALA CA . 17158 1 135 . 1 1 16 16 ALA CB C 13 18.526 0.100 2 1 . . . . 118 ALA CB . 17158 1 136 . 1 1 16 16 ALA N N 15 125.520 0.100 19 1 . . . . 118 ALA N . 17158 1 137 . 1 1 17 17 LYS HA H 1 4.231 0.020 2 1 . . . . 119 LYS HA . 17158 1 138 . 1 1 17 17 LYS HB2 H 1 2.016 0.020 2 2 . . . . 119 LYS HB2 . 17158 1 139 . 1 1 17 17 LYS HB3 H 1 1.787 0.020 2 2 . . . . 119 LYS HB3 . 17158 1 140 . 1 1 17 17 LYS CA C 13 57.373 0.100 2 1 . . . . 119 LYS CA . 17158 1 141 . 1 1 17 17 LYS CB C 13 32.925 0.100 2 1 . . . . 119 LYS CB . 17158 1 142 . 1 1 18 18 SER H H 1 7.828 0.020 18 1 . . . . 120 SER H . 17158 1 143 . 1 1 18 18 SER HA H 1 4.697 0.020 2 1 . . . . 120 SER HA . 17158 1 144 . 1 1 18 18 SER HB2 H 1 4.086 0.020 3 2 . . . . 120 SER HB2 . 17158 1 145 . 1 1 18 18 SER HB3 H 1 3.857 0.020 3 2 . . . . 120 SER HB3 . 17158 1 146 . 1 1 18 18 SER CA C 13 56.473 0.100 2 1 . . . . 120 SER CA . 17158 1 147 . 1 1 18 18 SER CB C 13 66.246 0.100 3 1 . . . . 120 SER CB . 17158 1 148 . 1 1 18 18 SER N N 15 113.508 0.100 18 1 . . . . 120 SER N . 17158 1 149 . 1 1 19 19 ASN HA H 1 5.298 0.020 7 1 . . . . 121 ASN HA . 17158 1 150 . 1 1 19 19 ASN HB2 H 1 3.068 0.020 5 2 . . . . 121 ASN HB2 . 17158 1 151 . 1 1 19 19 ASN HB3 H 1 2.927 0.020 5 2 . . . . 121 ASN HB3 . 17158 1 152 . 1 1 19 19 ASN HD21 H 1 7.748 0.020 3 2 . . . . 121 ASN HD21 . 17158 1 153 . 1 1 19 19 ASN HD22 H 1 6.992 0.020 3 2 . . . . 121 ASN HD22 . 17158 1 154 . 1 1 19 19 ASN CA C 13 52.596 0.100 6 1 . . . . 121 ASN CA . 17158 1 155 . 1 1 19 19 ASN CB C 13 39.019 0.100 4 1 . . . . 121 ASN CB . 17158 1 156 . 1 1 19 19 ASN ND2 N 15 112.508 0.100 6 1 . . . . 121 ASN ND2 . 17158 1 157 . 1 1 20 20 ARG H H 1 7.793 0.020 18 1 . . . . 122 ARG H . 17158 1 158 . 1 1 20 20 ARG HA H 1 4.247 0.020 6 1 . . . . 122 ARG HA . 17158 1 159 . 1 1 20 20 ARG HB2 H 1 2.024 0.020 7 2 . . . . 122 ARG HB2 . 17158 1 160 . 1 1 20 20 ARG HB3 H 1 1.753 0.020 3 2 . . . . 122 ARG HB3 . 17158 1 161 . 1 1 20 20 ARG HD2 H 1 3.245 0.020 6 2 . . . . 122 ARG HD2 . 17158 1 162 . 1 1 20 20 ARG HD3 H 1 3.220 0.020 1 2 . . . . 122 ARG HD3 . 17158 1 163 . 1 1 20 20 ARG HG2 H 1 1.725 0.020 11 2 . . . . 122 ARG HG2 . 17158 1 164 . 1 1 20 20 ARG HG3 H 1 1.622 0.020 10 2 . . . . 122 ARG HG3 . 17158 1 165 . 1 1 20 20 ARG CA C 13 57.476 0.100 5 1 . . . . 122 ARG CA . 17158 1 166 . 1 1 20 20 ARG CB C 13 31.489 0.100 7 1 . . . . 122 ARG CB . 17158 1 167 . 1 1 20 20 ARG CD C 13 43.412 0.100 7 1 . . . . 122 ARG CD . 17158 1 168 . 1 1 20 20 ARG CG C 13 27.864 0.100 18 1 . . . . 122 ARG CG . 17158 1 169 . 1 1 20 20 ARG N N 15 115.288 0.100 14 1 . . . . 122 ARG N . 17158 1 170 . 1 1 21 21 SER H H 1 9.139 0.020 14 1 . . . . 123 SER H . 17158 1 171 . 1 1 21 21 SER HA H 1 4.767 0.020 3 1 . . . . 123 SER HA . 17158 1 172 . 1 1 21 21 SER HB2 H 1 3.721 0.020 3 2 . . . . 123 SER HB2 . 17158 1 173 . 1 1 21 21 SER HB3 H 1 3.567 0.020 3 2 . . . . 123 SER HB3 . 17158 1 174 . 1 1 21 21 SER CA C 13 58.096 0.100 3 1 . . . . 123 SER CA . 17158 1 175 . 1 1 21 21 SER CB C 13 65.955 0.100 5 1 . . . . 123 SER CB . 17158 1 176 . 1 1 21 21 SER N N 15 119.311 0.100 14 1 . . . . 123 SER N . 17158 1 177 . 1 1 22 22 THR H H 1 8.243 0.020 13 1 . . . . 124 THR H . 17158 1 178 . 1 1 22 22 THR HA H 1 4.305 0.020 7 1 . . . . 124 THR HA . 17158 1 179 . 1 1 22 22 THR HB H 1 3.737 0.020 16 1 . . . . 124 THR HB . 17158 1 180 . 1 1 22 22 THR HG21 H 1 0.950 0.020 7 1 . . . . 124 THR MG . 17158 1 181 . 1 1 22 22 THR HG22 H 1 0.950 0.020 7 1 . . . . 124 THR MG . 17158 1 182 . 1 1 22 22 THR HG23 H 1 0.950 0.020 7 1 . . . . 124 THR MG . 17158 1 183 . 1 1 22 22 THR CA C 13 61.144 0.100 5 1 . . . . 124 THR CA . 17158 1 184 . 1 1 22 22 THR CB C 13 71.176 0.100 13 1 . . . . 124 THR CB . 17158 1 185 . 1 1 22 22 THR CG2 C 13 21.641 0.100 6 1 . . . . 124 THR CG2 . 17158 1 186 . 1 1 22 22 THR N N 15 116.507 0.100 13 1 . . . . 124 THR N . 17158 1 187 . 1 1 23 23 CYS H H 1 8.367 0.020 12 1 . . . . 125 CYS H . 17158 1 188 . 1 1 23 23 CYS HA H 1 4.486 0.020 3 1 . . . . 125 CYS HA . 17158 1 189 . 1 1 23 23 CYS HB2 H 1 3.394 0.020 2 2 . . . . 125 CYS HB2 . 17158 1 190 . 1 1 23 23 CYS HB3 H 1 1.908 0.020 1 2 . . . . 125 CYS HB3 . 17158 1 191 . 1 1 23 23 CYS CA C 13 57.572 0.100 3 1 . . . . 125 CYS CA . 17158 1 192 . 1 1 23 23 CYS CB C 13 30.822 0.100 4 1 . . . . 125 CYS CB . 17158 1 193 . 1 1 23 23 CYS N N 15 126.274 0.100 12 1 . . . . 125 CYS N . 17158 1 194 . 1 1 24 24 LYS H H 1 8.712 0.020 19 1 . . . . 126 LYS H . 17158 1 195 . 1 1 24 24 LYS HA H 1 4.177 0.020 10 1 . . . . 126 LYS HA . 17158 1 196 . 1 1 24 24 LYS HB2 H 1 1.573 0.020 9 2 . . . . 126 LYS HB2 . 17158 1 197 . 1 1 24 24 LYS HB3 H 1 1.317 0.020 9 2 . . . . 126 LYS HB3 . 17158 1 198 . 1 1 24 24 LYS HE2 H 1 3.050 0.020 1 1 . . . . 126 LYS HE2 . 17158 1 199 . 1 1 24 24 LYS HE3 H 1 3.050 0.020 1 1 . . . . 126 LYS HE3 . 17158 1 200 . 1 1 24 24 LYS HG2 H 1 1.772 0.020 1 2 . . . . 126 LYS HG2 . 17158 1 201 . 1 1 24 24 LYS HG3 H 1 1.407 0.020 1 2 . . . . 126 LYS HG3 . 17158 1 202 . 1 1 24 24 LYS CA C 13 55.878 0.100 13 1 . . . . 126 LYS CA . 17158 1 203 . 1 1 24 24 LYS CB C 13 30.941 0.100 17 1 . . . . 126 LYS CB . 17158 1 204 . 1 1 24 24 LYS CD C 13 28.084 0.100 3 1 . . . . 126 LYS CD . 17158 1 205 . 1 1 24 24 LYS CE C 13 42.543 0.100 3 1 . . . . 126 LYS CE . 17158 1 206 . 1 1 24 24 LYS CG C 13 24.640 0.100 4 1 . . . . 126 LYS CG . 17158 1 207 . 1 1 24 24 LYS N N 15 129.197 0.100 13 1 . . . . 126 LYS N . 17158 1 208 . 1 1 25 25 GLY H H 1 9.216 0.020 14 1 . . . . 127 GLY H . 17158 1 209 . 1 1 25 25 GLY HA2 H 1 4.371 0.020 3 2 . . . . 127 GLY HA2 . 17158 1 210 . 1 1 25 25 GLY HA3 H 1 3.705 0.020 3 2 . . . . 127 GLY HA3 . 17158 1 211 . 1 1 25 25 GLY CA C 13 46.104 0.100 5 1 . . . . 127 GLY CA . 17158 1 212 . 1 1 25 25 GLY N N 15 111.602 0.100 14 1 . . . . 127 GLY N . 17158 1 213 . 1 1 26 26 CYS H H 1 8.085 0.020 10 1 . . . . 128 CYS H . 17158 1 214 . 1 1 26 26 CYS HA H 1 5.062 0.020 2 1 . . . . 128 CYS HA . 17158 1 215 . 1 1 26 26 CYS HB2 H 1 3.406 0.020 3 2 . . . . 128 CYS HB2 . 17158 1 216 . 1 1 26 26 CYS HB3 H 1 3.117 0.020 3 2 . . . . 128 CYS HB3 . 17158 1 217 . 1 1 26 26 CYS CA C 13 58.441 0.100 2 1 . . . . 128 CYS CA . 17158 1 218 . 1 1 26 26 CYS CB C 13 32.133 0.100 4 1 . . . . 128 CYS CB . 17158 1 219 . 1 1 26 26 CYS N N 15 119.391 0.100 10 1 . . . . 128 CYS N . 17158 1 220 . 1 1 27 27 MET H H 1 8.166 0.020 10 1 . . . . 129 MET H . 17158 1 221 . 1 1 27 27 MET HA H 1 4.349 0.020 4 1 . . . . 129 MET HA . 17158 1 222 . 1 1 27 27 MET HB2 H 1 2.475 0.020 10 2 . . . . 129 MET HB2 . 17158 1 223 . 1 1 27 27 MET HB3 H 1 2.339 0.020 9 2 . . . . 129 MET HB3 . 17158 1 224 . 1 1 27 27 MET HE1 H 1 2.081 0.020 2 1 . . . . 129 MET ME . 17158 1 225 . 1 1 27 27 MET HE2 H 1 2.081 0.020 2 1 . . . . 129 MET ME . 17158 1 226 . 1 1 27 27 MET HE3 H 1 2.081 0.020 2 1 . . . . 129 MET ME . 17158 1 227 . 1 1 27 27 MET HG2 H 1 2.651 0.020 3 2 . . . . 129 MET HG2 . 17158 1 228 . 1 1 27 27 MET CA C 13 57.149 0.100 3 1 . . . . 129 MET CA . 17158 1 229 . 1 1 27 27 MET CB C 13 28.412 0.100 17 1 . . . . 129 MET CB . 17158 1 230 . 1 1 27 27 MET CE C 13 16.906 0.100 2 1 . . . . 129 MET CE . 17158 1 231 . 1 1 27 27 MET CG C 13 33.180 0.100 2 1 . . . . 129 MET CG . 17158 1 232 . 1 1 27 27 MET N N 15 117.432 0.100 10 1 . . . . 129 MET N . 17158 1 233 . 1 1 28 28 GLU H H 1 8.443 0.020 15 1 . . . . 130 GLU H . 17158 1 234 . 1 1 28 28 GLU HA H 1 4.826 0.020 8 1 . . . . 130 GLU HA . 17158 1 235 . 1 1 28 28 GLU HB2 H 1 2.352 0.020 6 2 . . . . 130 GLU HB2 . 17158 1 236 . 1 1 28 28 GLU HG2 H 1 2.512 0.020 3 2 . . . . 130 GLU HG2 . 17158 1 237 . 1 1 28 28 GLU HG3 H 1 2.364 0.020 2 2 . . . . 130 GLU HG3 . 17158 1 238 . 1 1 28 28 GLU CA C 13 55.062 0.100 9 1 . . . . 130 GLU CA . 17158 1 239 . 1 1 28 28 GLU CB C 13 31.810 0.100 5 1 . . . . 130 GLU CB . 17158 1 240 . 1 1 28 28 GLU CG C 13 36.115 0.100 5 1 . . . . 130 GLU CG . 17158 1 241 . 1 1 28 28 GLU N N 15 119.461 0.100 12 1 . . . . 130 GLU N . 17158 1 242 . 1 1 29 29 LYS H H 1 8.719 0.020 21 1 . . . . 131 LYS H . 17158 1 243 . 1 1 29 29 LYS HA H 1 4.326 0.020 4 1 . . . . 131 LYS HA . 17158 1 244 . 1 1 29 29 LYS HB2 H 1 1.871 0.020 4 2 . . . . 131 LYS HB2 . 17158 1 245 . 1 1 29 29 LYS HB3 H 1 1.743 0.020 4 2 . . . . 131 LYS HB3 . 17158 1 246 . 1 1 29 29 LYS HG2 H 1 1.496 0.020 1 2 . . . . 131 LYS HG2 . 17158 1 247 . 1 1 29 29 LYS HG3 H 1 1.407 0.020 1 2 . . . . 131 LYS HG3 . 17158 1 248 . 1 1 29 29 LYS CA C 13 56.903 0.100 4 1 . . . . 131 LYS CA . 17158 1 249 . 1 1 29 29 LYS CB C 13 32.914 0.100 5 1 . . . . 131 LYS CB . 17158 1 250 . 1 1 29 29 LYS CG C 13 24.430 0.100 2 1 . . . . 131 LYS CG . 17158 1 251 . 1 1 29 29 LYS N N 15 119.804 0.100 13 1 . . . . 131 LYS N . 17158 1 252 . 1 1 30 30 ILE H H 1 8.134 0.020 15 1 . . . . 132 ILE H . 17158 1 253 . 1 1 30 30 ILE HA H 1 4.219 0.020 18 1 . . . . 132 ILE HA . 17158 1 254 . 1 1 30 30 ILE HB H 1 1.421 0.020 18 1 . . . . 132 ILE HB . 17158 1 255 . 1 1 30 30 ILE HD11 H 1 0.399 0.020 13 1 . . . . 132 ILE MD . 17158 1 256 . 1 1 30 30 ILE HD12 H 1 0.399 0.020 13 1 . . . . 132 ILE MD . 17158 1 257 . 1 1 30 30 ILE HD13 H 1 0.399 0.020 13 1 . . . . 132 ILE MD . 17158 1 258 . 1 1 30 30 ILE HG12 H 1 1.187 0.020 3 2 . . . . 132 ILE HG12 . 17158 1 259 . 1 1 30 30 ILE HG13 H 1 0.084 0.020 2 2 . . . . 132 ILE HG13 . 17158 1 260 . 1 1 30 30 ILE HG21 H 1 0.726 0.020 11 1 . . . . 132 ILE MG . 17158 1 261 . 1 1 30 30 ILE HG22 H 1 0.726 0.020 11 1 . . . . 132 ILE MG . 17158 1 262 . 1 1 30 30 ILE HG23 H 1 0.726 0.020 11 1 . . . . 132 ILE MG . 17158 1 263 . 1 1 30 30 ILE CA C 13 61.027 0.100 16 1 . . . . 132 ILE CA . 17158 1 264 . 1 1 30 30 ILE CB C 13 37.514 0.100 16 1 . . . . 132 ILE CB . 17158 1 265 . 1 1 30 30 ILE CD1 C 13 13.848 0.100 11 1 . . . . 132 ILE CD1 . 17158 1 266 . 1 1 30 30 ILE CG1 C 13 28.044 0.100 2 1 . . . . 132 ILE CG1 . 17158 1 267 . 1 1 30 30 ILE CG2 C 13 17.627 0.100 9 1 . . . . 132 ILE CG2 . 17158 1 268 . 1 1 30 30 ILE N N 15 124.767 0.100 15 1 . . . . 132 ILE N . 17158 1 269 . 1 1 31 31 GLU H H 1 8.750 0.020 16 1 . . . . 133 GLU H . 17158 1 270 . 1 1 31 31 GLU HA H 1 4.211 0.020 9 1 . . . . 133 GLU HA . 17158 1 271 . 1 1 31 31 GLU HB2 H 1 2.079 0.020 5 2 . . . . 133 GLU HB2 . 17158 1 272 . 1 1 31 31 GLU HB3 H 1 1.813 0.020 5 2 . . . . 133 GLU HB3 . 17158 1 273 . 1 1 31 31 GLU HG2 H 1 2.443 0.020 3 2 . . . . 133 GLU HG2 . 17158 1 274 . 1 1 31 31 GLU HG3 H 1 2.304 0.020 2 2 . . . . 133 GLU HG3 . 17158 1 275 . 1 1 31 31 GLU CA C 13 56.240 0.100 11 1 . . . . 133 GLU CA . 17158 1 276 . 1 1 31 31 GLU CB C 13 30.587 0.100 8 1 . . . . 133 GLU CB . 17158 1 277 . 1 1 31 31 GLU CG C 13 36.447 0.100 4 1 . . . . 133 GLU CG . 17158 1 278 . 1 1 31 31 GLU N N 15 128.367 0.100 12 1 . . . . 133 GLU N . 17158 1 279 . 1 1 32 32 LYS H H 1 8.288 0.020 17 1 . . . . 134 LYS H . 17158 1 280 . 1 1 32 32 LYS HA H 1 3.495 0.020 16 1 . . . . 134 LYS HA . 17158 1 281 . 1 1 32 32 LYS HB2 H 1 1.673 0.020 7 2 . . . . 134 LYS HB2 . 17158 1 282 . 1 1 32 32 LYS HB3 H 1 1.317 0.020 8 2 . . . . 134 LYS HB3 . 17158 1 283 . 1 1 32 32 LYS HD2 H 1 1.616 0.020 3 2 . . . . 134 LYS HD2 . 17158 1 284 . 1 1 32 32 LYS HE2 H 1 2.956 0.020 4 2 . . . . 134 LYS HE2 . 17158 1 285 . 1 1 32 32 LYS HE3 H 1 2.954 0.020 1 2 . . . . 134 LYS HE3 . 17158 1 286 . 1 1 32 32 LYS HG2 H 1 1.221 0.020 1 2 . . . . 134 LYS HG2 . 17158 1 287 . 1 1 32 32 LYS HG3 H 1 1.028 0.020 2 2 . . . . 134 LYS HG3 . 17158 1 288 . 1 1 32 32 LYS CA C 13 58.380 0.100 19 1 . . . . 134 LYS CA . 17158 1 289 . 1 1 32 32 LYS CB C 13 33.059 0.100 16 1 . . . . 134 LYS CB . 17158 1 290 . 1 1 32 32 LYS CD C 13 29.997 0.100 6 1 . . . . 134 LYS CD . 17158 1 291 . 1 1 32 32 LYS CE C 13 42.012 0.100 6 1 . . . . 134 LYS CE . 17158 1 292 . 1 1 32 32 LYS CG C 13 24.647 0.100 3 1 . . . . 134 LYS CG . 17158 1 293 . 1 1 32 32 LYS N N 15 121.202 0.100 12 1 . . . . 134 LYS N . 17158 1 294 . 1 1 33 33 GLY H H 1 9.046 0.020 11 1 . . . . 135 GLY H . 17158 1 295 . 1 1 33 33 GLY HA2 H 1 4.326 0.020 3 2 . . . . 135 GLY HA2 . 17158 1 296 . 1 1 33 33 GLY HA3 H 1 3.556 0.020 4 2 . . . . 135 GLY HA3 . 17158 1 297 . 1 1 33 33 GLY CA C 13 45.015 0.100 4 1 . . . . 135 GLY CA . 17158 1 298 . 1 1 33 33 GLY N N 15 114.819 0.100 11 1 . . . . 135 GLY N . 17158 1 299 . 1 1 34 34 GLN H H 1 7.819 0.020 9 1 . . . . 136 GLN H . 17158 1 300 . 1 1 34 34 GLN HA H 1 4.588 0.020 9 1 . . . . 136 GLN HA . 17158 1 301 . 1 1 34 34 GLN HB2 H 1 2.385 0.020 4 2 . . . . 136 GLN HB2 . 17158 1 302 . 1 1 34 34 GLN HB3 H 1 2.252 0.020 4 2 . . . . 136 GLN HB3 . 17158 1 303 . 1 1 34 34 GLN HE21 H 1 7.819 0.020 4 2 . . . . 136 GLN HE21 . 17158 1 304 . 1 1 34 34 GLN HE22 H 1 7.109 0.020 4 2 . . . . 136 GLN HE22 . 17158 1 305 . 1 1 34 34 GLN HG2 H 1 2.525 0.020 3 2 . . . . 136 GLN HG2 . 17158 1 306 . 1 1 34 34 GLN HG3 H 1 2.429 0.020 3 2 . . . . 136 GLN HG3 . 17158 1 307 . 1 1 34 34 GLN CA C 13 55.033 0.100 10 1 . . . . 136 GLN CA . 17158 1 308 . 1 1 34 34 GLN CB C 13 29.398 0.100 5 1 . . . . 136 GLN CB . 17158 1 309 . 1 1 34 34 GLN CG C 13 35.001 0.100 4 1 . . . . 136 GLN CG . 17158 1 310 . 1 1 34 34 GLN N N 15 118.489 0.100 9 1 . . . . 136 GLN N . 17158 1 311 . 1 1 34 34 GLN NE2 N 15 114.010 0.100 2 1 . . . . 136 GLN NE2 . 17158 1 312 . 1 1 35 35 VAL H H 1 8.756 0.020 15 1 . . . . 137 VAL H . 17158 1 313 . 1 1 35 35 VAL HA H 1 3.992 0.020 16 1 . . . . 137 VAL HA . 17158 1 314 . 1 1 35 35 VAL HB H 1 1.931 0.020 7 1 . . . . 137 VAL HB . 17158 1 315 . 1 1 35 35 VAL HG11 H 1 0.734 0.020 6 2 . . . . 137 VAL MG1 . 17158 1 316 . 1 1 35 35 VAL HG12 H 1 0.734 0.020 6 2 . . . . 137 VAL MG1 . 17158 1 317 . 1 1 35 35 VAL HG13 H 1 0.734 0.020 6 2 . . . . 137 VAL MG1 . 17158 1 318 . 1 1 35 35 VAL HG21 H 1 0.884 0.020 8 2 . . . . 137 VAL MG2 . 17158 1 319 . 1 1 35 35 VAL HG22 H 1 0.884 0.020 8 2 . . . . 137 VAL MG2 . 17158 1 320 . 1 1 35 35 VAL HG23 H 1 0.884 0.020 8 2 . . . . 137 VAL MG2 . 17158 1 321 . 1 1 35 35 VAL CA C 13 63.865 0.100 14 1 . . . . 137 VAL CA . 17158 1 322 . 1 1 35 35 VAL CB C 13 31.940 0.100 4 1 . . . . 137 VAL CB . 17158 1 323 . 1 1 35 35 VAL CG1 C 13 22.179 0.100 5 2 . . . . 137 VAL CG1 . 17158 1 324 . 1 1 35 35 VAL CG2 C 13 23.845 0.100 6 2 . . . . 137 VAL CG2 . 17158 1 325 . 1 1 35 35 VAL N N 15 122.168 0.100 15 1 . . . . 137 VAL N . 17158 1 326 . 1 1 36 36 ARG H H 1 9.164 0.020 14 1 . . . . 138 ARG H . 17158 1 327 . 1 1 36 36 ARG HA H 1 5.231 0.020 14 1 . . . . 138 ARG HA . 17158 1 328 . 1 1 36 36 ARG HB2 H 1 1.808 0.020 4 2 . . . . 138 ARG HB2 . 17158 1 329 . 1 1 36 36 ARG HB3 H 1 1.757 0.020 2 2 . . . . 138 ARG HB3 . 17158 1 330 . 1 1 36 36 ARG HD2 H 1 2.309 0.020 7 2 . . . . 138 ARG HD2 . 17158 1 331 . 1 1 36 36 ARG HD3 H 1 1.793 0.020 6 2 . . . . 138 ARG HD3 . 17158 1 332 . 1 1 36 36 ARG HG2 H 1 1.484 0.020 1 2 . . . . 138 ARG HG2 . 17158 1 333 . 1 1 36 36 ARG HG3 H 1 1.368 0.020 3 2 . . . . 138 ARG HG3 . 17158 1 334 . 1 1 36 36 ARG CA C 13 53.451 0.100 16 1 . . . . 138 ARG CA . 17158 1 335 . 1 1 36 36 ARG CB C 13 34.294 0.100 9 1 . . . . 138 ARG CB . 17158 1 336 . 1 1 36 36 ARG CD C 13 44.038 0.100 11 1 . . . . 138 ARG CD . 17158 1 337 . 1 1 36 36 ARG CG C 13 24.920 0.100 1 1 . . . . 138 ARG CG . 17158 1 338 . 1 1 36 36 ARG N N 15 121.531 0.100 12 1 . . . . 138 ARG N . 17158 1 339 . 1 1 37 37 LEU H H 1 9.113 0.020 20 1 . . . . 139 LEU H . 17158 1 340 . 1 1 37 37 LEU HA H 1 5.786 0.020 19 1 . . . . 139 LEU HA . 17158 1 341 . 1 1 37 37 LEU HB2 H 1 1.212 0.020 10 2 . . . . 139 LEU HB2 . 17158 1 342 . 1 1 37 37 LEU HB3 H 1 0.958 0.020 12 2 . . . . 139 LEU HB3 . 17158 1 343 . 1 1 37 37 LEU HD11 H 1 0.408 0.020 3 2 . . . . 139 LEU MD1 . 17158 1 344 . 1 1 37 37 LEU HD12 H 1 0.408 0.020 3 2 . . . . 139 LEU MD1 . 17158 1 345 . 1 1 37 37 LEU HD13 H 1 0.408 0.020 3 2 . . . . 139 LEU MD1 . 17158 1 346 . 1 1 37 37 LEU HD21 H 1 0.306 0.020 3 2 . . . . 139 LEU MD2 . 17158 1 347 . 1 1 37 37 LEU HD22 H 1 0.306 0.020 3 2 . . . . 139 LEU MD2 . 17158 1 348 . 1 1 37 37 LEU HD23 H 1 0.306 0.020 3 2 . . . . 139 LEU MD2 . 17158 1 349 . 1 1 37 37 LEU HG H 1 1.405 0.020 2 1 . . . . 139 LEU HG . 17158 1 350 . 1 1 37 37 LEU CA C 13 52.788 0.100 20 1 . . . . 139 LEU CA . 17158 1 351 . 1 1 37 37 LEU CB C 13 45.523 0.100 20 1 . . . . 139 LEU CB . 17158 1 352 . 1 1 37 37 LEU CD1 C 13 24.938 0.100 4 2 . . . . 139 LEU CD1 . 17158 1 353 . 1 1 37 37 LEU CD2 C 13 24.962 0.100 5 2 . . . . 139 LEU CD2 . 17158 1 354 . 1 1 37 37 LEU CG C 13 28.524 0.100 4 1 . . . . 139 LEU CG . 17158 1 355 . 1 1 37 37 LEU N N 15 122.188 0.100 13 1 . . . . 139 LEU N . 17158 1 356 . 1 1 38 38 SER H H 1 9.212 0.020 15 1 . . . . 140 SER H . 17158 1 357 . 1 1 38 38 SER HA H 1 5.777 0.020 4 1 . . . . 140 SER HA . 17158 1 358 . 1 1 38 38 SER HB2 H 1 2.523 0.020 4 2 . . . . 140 SER HB2 . 17158 1 359 . 1 1 38 38 SER HB3 H 1 2.224 0.020 4 2 . . . . 140 SER HB3 . 17158 1 360 . 1 1 38 38 SER CA C 13 54.956 0.100 4 1 . . . . 140 SER CA . 17158 1 361 . 1 1 38 38 SER CB C 13 65.936 0.100 5 1 . . . . 140 SER CB . 17158 1 362 . 1 1 38 38 SER N N 15 115.682 0.100 15 1 . . . . 140 SER N . 17158 1 363 . 1 1 39 39 LYS H H 1 7.937 0.020 14 1 . . . . 141 LYS H . 17158 1 364 . 1 1 39 39 LYS HA H 1 4.888 0.020 12 1 . . . . 141 LYS HA . 17158 1 365 . 1 1 39 39 LYS HB2 H 1 1.783 0.020 12 2 . . . . 141 LYS HB2 . 17158 1 366 . 1 1 39 39 LYS HD2 H 1 1.937 0.020 3 2 . . . . 141 LYS HD2 . 17158 1 367 . 1 1 39 39 LYS HD3 H 1 1.711 0.020 2 2 . . . . 141 LYS HD3 . 17158 1 368 . 1 1 39 39 LYS HE2 H 1 3.032 0.020 4 2 . . . . 141 LYS HE2 . 17158 1 369 . 1 1 39 39 LYS HE3 H 1 2.857 0.020 4 2 . . . . 141 LYS HE3 . 17158 1 370 . 1 1 39 39 LYS HG2 H 1 1.131 0.020 7 2 . . . . 141 LYS HG2 . 17158 1 371 . 1 1 39 39 LYS HG3 H 1 0.873 0.020 5 2 . . . . 141 LYS HG3 . 17158 1 372 . 1 1 39 39 LYS CA C 13 55.128 0.100 10 1 . . . . 141 LYS CA . 17158 1 373 . 1 1 39 39 LYS CB C 13 37.617 0.100 14 1 . . . . 141 LYS CB . 17158 1 374 . 1 1 39 39 LYS CD C 13 30.136 0.100 5 1 . . . . 141 LYS CD . 17158 1 375 . 1 1 39 39 LYS CE C 13 43.134 0.100 10 1 . . . . 141 LYS CE . 17158 1 376 . 1 1 39 39 LYS CG C 13 25.892 0.100 3 1 . . . . 141 LYS CG . 17158 1 377 . 1 1 39 39 LYS N N 15 118.982 0.100 14 1 . . . . 141 LYS N . 17158 1 378 . 1 1 40 40 LYS H H 1 8.216 0.020 15 1 . . . . 142 LYS H . 17158 1 379 . 1 1 40 40 LYS HB2 H 1 1.472 0.020 13 2 . . . . 142 LYS HB2 . 17158 1 380 . 1 1 40 40 LYS HB3 H 1 1.445 0.020 1 2 . . . . 142 LYS HB3 . 17158 1 381 . 1 1 40 40 LYS HD2 H 1 1.450 0.020 2 2 . . . . 142 LYS HD2 . 17158 1 382 . 1 1 40 40 LYS HE2 H 1 2.878 0.020 4 2 . . . . 142 LYS HE2 . 17158 1 383 . 1 1 40 40 LYS HE3 H 1 2.729 0.020 4 2 . . . . 142 LYS HE3 . 17158 1 384 . 1 1 40 40 LYS HG2 H 1 1.127 0.020 1 2 . . . . 142 LYS HG2 . 17158 1 385 . 1 1 40 40 LYS CA C 13 55.017 0.100 7 1 . . . . 142 LYS CA . 17158 1 386 . 1 1 40 40 LYS CB C 13 33.461 0.100 14 1 . . . . 142 LYS CB . 17158 1 387 . 1 1 40 40 LYS CD C 13 29.255 0.100 2 1 . . . . 142 LYS CD . 17158 1 388 . 1 1 40 40 LYS CE C 13 42.099 0.100 5 1 . . . . 142 LYS CE . 17158 1 389 . 1 1 40 40 LYS CG C 13 25.027 0.100 3 1 . . . . 142 LYS CG . 17158 1 390 . 1 1 40 40 LYS N N 15 127.342 0.100 11 1 . . . . 142 LYS N . 17158 1 391 . 1 1 41 41 MET H H 1 8.871 0.020 12 1 . . . . 143 MET H . 17158 1 392 . 1 1 41 41 MET HA H 1 4.700 0.020 6 1 . . . . 143 MET HA . 17158 1 393 . 1 1 41 41 MET HB2 H 1 2.060 0.020 8 2 . . . . 143 MET HB2 . 17158 1 394 . 1 1 41 41 MET HB3 H 1 1.974 0.020 7 2 . . . . 143 MET HB3 . 17158 1 395 . 1 1 41 41 MET HE1 H 1 2.103 0.020 2 1 . . . . 143 MET ME . 17158 1 396 . 1 1 41 41 MET HE2 H 1 2.103 0.020 2 1 . . . . 143 MET ME . 17158 1 397 . 1 1 41 41 MET HE3 H 1 2.103 0.020 2 1 . . . . 143 MET ME . 17158 1 398 . 1 1 41 41 MET HG2 H 1 2.407 0.020 3 2 . . . . 143 MET HG2 . 17158 1 399 . 1 1 41 41 MET HG3 H 1 2.218 0.020 3 2 . . . . 143 MET HG3 . 17158 1 400 . 1 1 41 41 MET CA C 13 55.104 0.100 5 1 . . . . 143 MET CA . 17158 1 401 . 1 1 41 41 MET CB C 13 36.422 0.100 17 1 . . . . 143 MET CB . 17158 1 402 . 1 1 41 41 MET CE C 13 17.016 0.100 2 1 . . . . 143 MET CE . 17158 1 403 . 1 1 41 41 MET CG C 13 30.621 0.100 4 1 . . . . 143 MET CG . 17158 1 404 . 1 1 41 41 MET N N 15 120.777 0.100 12 1 . . . . 143 MET N . 17158 1 405 . 1 1 42 42 VAL H H 1 8.460 0.020 13 1 . . . . 144 VAL H . 17158 1 406 . 1 1 42 42 VAL HA H 1 4.172 0.020 11 1 . . . . 144 VAL HA . 17158 1 407 . 1 1 42 42 VAL HB H 1 1.906 0.020 4 1 . . . . 144 VAL HB . 17158 1 408 . 1 1 42 42 VAL HG11 H 1 0.884 0.020 6 2 . . . . 144 VAL MG1 . 17158 1 409 . 1 1 42 42 VAL HG12 H 1 0.884 0.020 6 2 . . . . 144 VAL MG1 . 17158 1 410 . 1 1 42 42 VAL HG13 H 1 0.884 0.020 6 2 . . . . 144 VAL MG1 . 17158 1 411 . 1 1 42 42 VAL HG21 H 1 0.848 0.020 3 2 . . . . 144 VAL MG2 . 17158 1 412 . 1 1 42 42 VAL HG22 H 1 0.848 0.020 3 2 . . . . 144 VAL MG2 . 17158 1 413 . 1 1 42 42 VAL HG23 H 1 0.848 0.020 3 2 . . . . 144 VAL MG2 . 17158 1 414 . 1 1 42 42 VAL CA C 13 62.084 0.100 11 1 . . . . 144 VAL CA . 17158 1 415 . 1 1 42 42 VAL CB C 13 32.831 0.100 4 1 . . . . 144 VAL CB . 17158 1 416 . 1 1 42 42 VAL CG1 C 13 21.488 0.100 4 2 . . . . 144 VAL CG1 . 17158 1 417 . 1 1 42 42 VAL CG2 C 13 21.262 0.100 1 2 . . . . 144 VAL CG2 . 17158 1 418 . 1 1 42 42 VAL N N 15 122.452 0.100 12 1 . . . . 144 VAL N . 17158 1 419 . 1 1 43 43 ASP H H 1 9.486 0.020 14 1 . . . . 145 ASP H . 17158 1 420 . 1 1 43 43 ASP HA H 1 4.750 0.020 2 1 . . . . 145 ASP HA . 17158 1 421 . 1 1 43 43 ASP HB2 H 1 2.941 0.020 1 2 . . . . 145 ASP HB2 . 17158 1 422 . 1 1 43 43 ASP HB3 H 1 2.448 0.020 1 2 . . . . 145 ASP HB3 . 17158 1 423 . 1 1 43 43 ASP CA C 13 50.974 0.100 2 1 . . . . 145 ASP CA . 17158 1 424 . 1 1 43 43 ASP CB C 13 42.248 0.100 1 1 . . . . 145 ASP CB . 17158 1 425 . 1 1 43 43 ASP N N 15 129.923 0.100 14 1 . . . . 145 ASP N . 17158 1 426 . 1 1 44 44 PRO HA H 1 4.276 0.020 13 1 . . . . 146 PRO HA . 17158 1 427 . 1 1 44 44 PRO HB2 H 1 2.355 0.020 2 2 . . . . 146 PRO HB2 . 17158 1 428 . 1 1 44 44 PRO HB3 H 1 2.053 0.020 1 2 . . . . 146 PRO HB3 . 17158 1 429 . 1 1 44 44 PRO HD2 H 1 4.038 0.020 4 2 . . . . 146 PRO HD2 . 17158 1 430 . 1 1 44 44 PRO HD3 H 1 3.915 0.020 2 2 . . . . 146 PRO HD3 . 17158 1 431 . 1 1 44 44 PRO HG2 H 1 2.052 0.020 1 2 . . . . 146 PRO HG2 . 17158 1 432 . 1 1 44 44 PRO HG3 H 1 2.037 0.020 2 2 . . . . 146 PRO HG3 . 17158 1 433 . 1 1 44 44 PRO CA C 13 64.170 0.100 13 1 . . . . 146 PRO CA . 17158 1 434 . 1 1 44 44 PRO CB C 13 32.266 0.100 3 1 . . . . 146 PRO CB . 17158 1 435 . 1 1 44 44 PRO CD C 13 50.928 0.100 5 1 . . . . 146 PRO CD . 17158 1 436 . 1 1 44 44 PRO CG C 13 27.382 0.100 1 1 . . . . 146 PRO CG . 17158 1 437 . 1 1 45 45 GLU H H 1 8.421 0.020 15 1 . . . . 147 GLU H . 17158 1 438 . 1 1 45 45 GLU HA H 1 4.294 0.020 6 1 . . . . 147 GLU HA . 17158 1 439 . 1 1 45 45 GLU HB2 H 1 2.165 0.020 4 2 . . . . 147 GLU HB2 . 17158 1 440 . 1 1 45 45 GLU HB3 H 1 2.040 0.020 2 2 . . . . 147 GLU HB3 . 17158 1 441 . 1 1 45 45 GLU HG2 H 1 2.376 0.020 10 2 . . . . 147 GLU HG2 . 17158 1 442 . 1 1 45 45 GLU HG3 H 1 2.262 0.020 8 2 . . . . 147 GLU HG3 . 17158 1 443 . 1 1 45 45 GLU CA C 13 57.159 0.100 8 1 . . . . 147 GLU CA . 17158 1 444 . 1 1 45 45 GLU CB C 13 30.722 0.100 8 1 . . . . 147 GLU CB . 17158 1 445 . 1 1 45 45 GLU CG C 13 37.507 0.100 17 1 . . . . 147 GLU CG . 17158 1 446 . 1 1 45 45 GLU N N 15 115.925 0.100 11 1 . . . . 147 GLU N . 17158 1 447 . 1 1 46 46 LYS H H 1 7.832 0.020 12 1 . . . . 148 LYS H . 17158 1 448 . 1 1 46 46 LYS HA H 1 4.867 0.020 11 1 . . . . 148 LYS HA . 17158 1 449 . 1 1 46 46 LYS HB2 H 1 1.836 0.020 3 2 . . . . 148 LYS HB2 . 17158 1 450 . 1 1 46 46 LYS HB3 H 1 1.677 0.020 3 2 . . . . 148 LYS HB3 . 17158 1 451 . 1 1 46 46 LYS HD2 H 1 1.717 0.020 2 2 . . . . 148 LYS HD2 . 17158 1 452 . 1 1 46 46 LYS HE2 H 1 3.011 0.020 2 1 . . . . 148 LYS HE2 . 17158 1 453 . 1 1 46 46 LYS HE3 H 1 3.011 0.020 2 1 . . . . 148 LYS HE3 . 17158 1 454 . 1 1 46 46 LYS HG3 H 1 1.307 0.020 3 2 . . . . 148 LYS HG3 . 17158 1 455 . 1 1 46 46 LYS CA C 13 53.680 0.100 11 1 . . . . 148 LYS CA . 17158 1 456 . 1 1 46 46 LYS CB C 13 33.750 0.100 6 1 . . . . 148 LYS CB . 17158 1 457 . 1 1 46 46 LYS CD C 13 29.928 0.100 2 1 . . . . 148 LYS CD . 17158 1 458 . 1 1 46 46 LYS CE C 13 42.561 0.100 2 1 . . . . 148 LYS CE . 17158 1 459 . 1 1 46 46 LYS CG C 13 24.620 0.100 1 1 . . . . 148 LYS CG . 17158 1 460 . 1 1 46 46 LYS N N 15 118.481 0.100 12 1 . . . . 148 LYS N . 17158 1 461 . 1 1 47 47 PRO HA H 1 4.365 0.020 14 1 . . . . 149 PRO HA . 17158 1 462 . 1 1 47 47 PRO HB2 H 1 2.181 0.020 3 2 . . . . 149 PRO HB2 . 17158 1 463 . 1 1 47 47 PRO HB3 H 1 2.003 0.020 3 2 . . . . 149 PRO HB3 . 17158 1 464 . 1 1 47 47 PRO HD2 H 1 3.645 0.020 2 2 . . . . 149 PRO HD2 . 17158 1 465 . 1 1 47 47 PRO HD3 H 1 3.425 0.020 2 2 . . . . 149 PRO HD3 . 17158 1 466 . 1 1 47 47 PRO HG2 H 1 2.062 0.020 1 2 . . . . 149 PRO HG2 . 17158 1 467 . 1 1 47 47 PRO CA C 13 65.069 0.100 14 1 . . . . 149 PRO CA . 17158 1 468 . 1 1 47 47 PRO CB C 13 31.311 0.100 3 1 . . . . 149 PRO CB . 17158 1 469 . 1 1 47 47 PRO CD C 13 50.186 0.100 3 1 . . . . 149 PRO CD . 17158 1 470 . 1 1 47 47 PRO CG C 13 27.243 0.100 1 1 . . . . 149 PRO CG . 17158 1 471 . 1 1 48 48 GLN H H 1 9.328 0.020 17 1 . . . . 150 GLN H . 17158 1 472 . 1 1 48 48 GLN HA H 1 4.275 0.020 4 1 . . . . 150 GLN HA . 17158 1 473 . 1 1 48 48 GLN HB2 H 1 2.197 0.020 4 2 . . . . 150 GLN HB2 . 17158 1 474 . 1 1 48 48 GLN HB3 H 1 2.102 0.020 4 2 . . . . 150 GLN HB3 . 17158 1 475 . 1 1 48 48 GLN HG2 H 1 2.524 0.020 2 2 . . . . 150 GLN HG2 . 17158 1 476 . 1 1 48 48 GLN HG3 H 1 2.418 0.020 2 2 . . . . 150 GLN HG3 . 17158 1 477 . 1 1 48 48 GLN CA C 13 57.568 0.100 4 1 . . . . 150 GLN CA . 17158 1 478 . 1 1 48 48 GLN CB C 13 26.812 0.100 5 1 . . . . 150 GLN CB . 17158 1 479 . 1 1 48 48 GLN CG C 13 35.159 0.100 4 1 . . . . 150 GLN CG . 17158 1 480 . 1 1 48 48 GLN N N 15 119.492 0.100 16 1 . . . . 150 GLN N . 17158 1 481 . 1 1 48 48 GLN NE2 N 15 107.850 0.100 2 1 . . . . 150 GLN NE2 . 17158 1 482 . 1 1 49 49 LEU H H 1 7.635 0.020 17 1 . . . . 151 LEU H . 17158 1 483 . 1 1 49 49 LEU HA H 1 4.309 0.020 6 1 . . . . 151 LEU HA . 17158 1 484 . 1 1 49 49 LEU HB2 H 1 1.962 0.020 17 2 . . . . 151 LEU HB2 . 17158 1 485 . 1 1 49 49 LEU HB3 H 1 1.664 0.020 14 2 . . . . 151 LEU HB3 . 17158 1 486 . 1 1 49 49 LEU HD11 H 1 1.041 0.020 16 2 . . . . 151 LEU MD1 . 17158 1 487 . 1 1 49 49 LEU HD12 H 1 1.041 0.020 16 2 . . . . 151 LEU MD1 . 17158 1 488 . 1 1 49 49 LEU HD13 H 1 1.041 0.020 16 2 . . . . 151 LEU MD1 . 17158 1 489 . 1 1 49 49 LEU HD21 H 1 0.907 0.020 12 2 . . . . 151 LEU MD2 . 17158 1 490 . 1 1 49 49 LEU HD22 H 1 0.907 0.020 12 2 . . . . 151 LEU MD2 . 17158 1 491 . 1 1 49 49 LEU HD23 H 1 0.907 0.020 12 2 . . . . 151 LEU MD2 . 17158 1 492 . 1 1 49 49 LEU HG H 1 1.696 0.020 2 1 . . . . 151 LEU HG . 17158 1 493 . 1 1 49 49 LEU CA C 13 55.363 0.100 7 1 . . . . 151 LEU CA . 17158 1 494 . 1 1 49 49 LEU CB C 13 41.744 0.100 28 1 . . . . 151 LEU CB . 17158 1 495 . 1 1 49 49 LEU CD1 C 13 25.832 0.100 16 2 . . . . 151 LEU CD1 . 17158 1 496 . 1 1 49 49 LEU CD2 C 13 22.335 0.100 12 2 . . . . 151 LEU CD2 . 17158 1 497 . 1 1 49 49 LEU CG C 13 27.108 0.100 4 1 . . . . 151 LEU CG . 17158 1 498 . 1 1 49 49 LEU N N 15 119.306 0.100 16 1 . . . . 151 LEU N . 17158 1 499 . 1 1 50 50 GLY H H 1 7.742 0.020 14 1 . . . . 152 GLY H . 17158 1 500 . 1 1 50 50 GLY HA2 H 1 4.054 0.020 2 2 . . . . 152 GLY HA2 . 17158 1 501 . 1 1 50 50 GLY HA3 H 1 3.717 0.020 3 2 . . . . 152 GLY HA3 . 17158 1 502 . 1 1 50 50 GLY CA C 13 44.845 0.100 5 1 . . . . 152 GLY CA . 17158 1 503 . 1 1 50 50 GLY N N 15 105.515 0.100 14 1 . . . . 152 GLY N . 17158 1 504 . 1 1 51 51 MET H H 1 8.369 0.020 9 1 . . . . 153 MET H . 17158 1 505 . 1 1 51 51 MET HA H 1 4.082 0.020 9 1 . . . . 153 MET HA . 17158 1 506 . 1 1 51 51 MET HB2 H 1 1.982 0.020 12 2 . . . . 153 MET HB2 . 17158 1 507 . 1 1 51 51 MET HB3 H 1 1.590 0.020 15 2 . . . . 153 MET HB3 . 17158 1 508 . 1 1 51 51 MET HE1 H 1 1.975 0.020 4 1 . . . . 153 MET ME . 17158 1 509 . 1 1 51 51 MET HE2 H 1 1.975 0.020 4 1 . . . . 153 MET ME . 17158 1 510 . 1 1 51 51 MET HE3 H 1 1.975 0.020 4 1 . . . . 153 MET ME . 17158 1 511 . 1 1 51 51 MET HG2 H 1 2.492 0.020 5 2 . . . . 153 MET HG2 . 17158 1 512 . 1 1 51 51 MET HG3 H 1 2.335 0.020 5 2 . . . . 153 MET HG3 . 17158 1 513 . 1 1 51 51 MET CA C 13 55.943 0.100 6 1 . . . . 153 MET CA . 17158 1 514 . 1 1 51 51 MET CB C 13 33.461 0.100 23 1 . . . . 153 MET CB . 17158 1 515 . 1 1 51 51 MET CE C 13 17.786 0.100 4 1 . . . . 153 MET CE . 17158 1 516 . 1 1 51 51 MET CG C 13 32.226 0.100 1 1 . . . . 153 MET CG . 17158 1 517 . 1 1 51 51 MET N N 15 119.584 0.100 9 1 . . . . 153 MET N . 17158 1 518 . 1 1 52 52 ILE H H 1 8.635 0.020 15 1 . . . . 154 ILE H . 17158 1 519 . 1 1 52 52 ILE HA H 1 4.532 0.020 16 1 . . . . 154 ILE HA . 17158 1 520 . 1 1 52 52 ILE HB H 1 1.921 0.020 14 1 . . . . 154 ILE HB . 17158 1 521 . 1 1 52 52 ILE HD11 H 1 0.902 0.020 11 1 . . . . 154 ILE MD . 17158 1 522 . 1 1 52 52 ILE HD12 H 1 0.902 0.020 11 1 . . . . 154 ILE MD . 17158 1 523 . 1 1 52 52 ILE HD13 H 1 0.902 0.020 11 1 . . . . 154 ILE MD . 17158 1 524 . 1 1 52 52 ILE HG12 H 1 1.440 0.020 5 2 . . . . 154 ILE HG12 . 17158 1 525 . 1 1 52 52 ILE HG13 H 1 1.270 0.020 5 2 . . . . 154 ILE HG13 . 17158 1 526 . 1 1 52 52 ILE HG21 H 1 0.909 0.020 12 1 . . . . 154 ILE MG . 17158 1 527 . 1 1 52 52 ILE HG22 H 1 0.909 0.020 12 1 . . . . 154 ILE MG . 17158 1 528 . 1 1 52 52 ILE HG23 H 1 0.909 0.020 12 1 . . . . 154 ILE MG . 17158 1 529 . 1 1 52 52 ILE CA C 13 59.434 0.100 14 1 . . . . 154 ILE CA . 17158 1 530 . 1 1 52 52 ILE CB C 13 42.046 0.100 10 1 . . . . 154 ILE CB . 17158 1 531 . 1 1 52 52 ILE CD1 C 13 14.278 0.100 10 1 . . . . 154 ILE CD1 . 17158 1 532 . 1 1 52 52 ILE CG1 C 13 26.034 0.100 1 1 . . . . 154 ILE CG1 . 17158 1 533 . 1 1 52 52 ILE CG2 C 13 18.711 0.100 9 1 . . . . 154 ILE CG2 . 17158 1 534 . 1 1 52 52 ILE N N 15 122.889 0.100 15 1 . . . . 154 ILE N . 17158 1 535 . 1 1 53 53 ASP H H 1 8.043 0.020 14 1 . . . . 155 ASP H . 17158 1 536 . 1 1 53 53 ASP HA H 1 4.278 0.020 7 1 . . . . 155 ASP HA . 17158 1 537 . 1 1 53 53 ASP HB2 H 1 2.092 0.020 8 2 . . . . 155 ASP HB2 . 17158 1 538 . 1 1 53 53 ASP HB3 H 1 0.944 0.020 8 2 . . . . 155 ASP HB3 . 17158 1 539 . 1 1 53 53 ASP CA C 13 55.472 0.100 5 1 . . . . 155 ASP CA . 17158 1 540 . 1 1 53 53 ASP CB C 13 42.506 0.100 9 1 . . . . 155 ASP CB . 17158 1 541 . 1 1 53 53 ASP N N 15 120.392 0.100 14 1 . . . . 155 ASP N . 17158 1 542 . 1 1 54 54 ARG H H 1 8.112 0.020 20 1 . . . . 156 ARG H . 17158 1 543 . 1 1 54 54 ARG HA H 1 4.341 0.020 7 1 . . . . 156 ARG HA . 17158 1 544 . 1 1 54 54 ARG HB2 H 1 2.103 0.020 4 2 . . . . 156 ARG HB2 . 17158 1 545 . 1 1 54 54 ARG HB3 H 1 1.742 0.020 5 2 . . . . 156 ARG HB3 . 17158 1 546 . 1 1 54 54 ARG HD2 H 1 3.217 0.020 6 2 . . . . 156 ARG HD2 . 17158 1 547 . 1 1 54 54 ARG HG2 H 1 1.769 0.020 3 2 . . . . 156 ARG HG2 . 17158 1 548 . 1 1 54 54 ARG HG3 H 1 1.660 0.020 3 2 . . . . 156 ARG HG3 . 17158 1 549 . 1 1 54 54 ARG CA C 13 55.036 0.100 9 1 . . . . 156 ARG CA . 17158 1 550 . 1 1 54 54 ARG CB C 13 31.216 0.100 7 1 . . . . 156 ARG CB . 17158 1 551 . 1 1 54 54 ARG CD C 13 44.013 0.100 7 1 . . . . 156 ARG CD . 17158 1 552 . 1 1 54 54 ARG CG C 13 27.287 0.100 2 1 . . . . 156 ARG CG . 17158 1 553 . 1 1 54 54 ARG N N 15 124.308 0.100 15 1 . . . . 156 ARG N . 17158 1 554 . 1 1 55 55 TRP H H 1 8.052 0.020 13 1 . . . . 157 TRP H . 17158 1 555 . 1 1 55 55 TRP HA H 1 5.298 0.020 10 1 . . . . 157 TRP HA . 17158 1 556 . 1 1 55 55 TRP HB2 H 1 2.987 0.020 7 2 . . . . 157 TRP HB2 . 17158 1 557 . 1 1 55 55 TRP HB3 H 1 2.849 0.020 8 2 . . . . 157 TRP HB3 . 17158 1 558 . 1 1 55 55 TRP HD1 H 1 7.258 0.020 7 1 . . . . 157 TRP HD1 . 17158 1 559 . 1 1 55 55 TRP HE1 H 1 10.126 0.020 5 1 . . . . 157 TRP HE1 . 17158 1 560 . 1 1 55 55 TRP HE3 H 1 7.230 0.020 5 1 . . . . 157 TRP HE3 . 17158 1 561 . 1 1 55 55 TRP HH2 H 1 6.873 0.020 9 1 . . . . 157 TRP HH2 . 17158 1 562 . 1 1 55 55 TRP HZ2 H 1 7.277 0.020 8 1 . . . . 157 TRP HZ2 . 17158 1 563 . 1 1 55 55 TRP HZ3 H 1 6.785 0.020 6 1 . . . . 157 TRP HZ3 . 17158 1 564 . 1 1 55 55 TRP CA C 13 56.948 0.100 6 1 . . . . 157 TRP CA . 17158 1 565 . 1 1 55 55 TRP CB C 13 32.523 0.100 11 1 . . . . 157 TRP CB . 17158 1 566 . 1 1 55 55 TRP CD1 C 13 127.781 0.100 3 1 . . . . 157 TRP CD1 . 17158 1 567 . 1 1 55 55 TRP CE3 C 13 119.727 0.100 2 1 . . . . 157 TRP CE3 . 17158 1 568 . 1 1 55 55 TRP CH2 C 13 124.249 0.100 3 1 . . . . 157 TRP CH2 . 17158 1 569 . 1 1 55 55 TRP CZ2 C 13 115.038 0.100 4 1 . . . . 157 TRP CZ2 . 17158 1 570 . 1 1 55 55 TRP CZ3 C 13 122.272 0.100 2 1 . . . . 157 TRP CZ3 . 17158 1 571 . 1 1 55 55 TRP N N 15 122.419 0.100 13 1 . . . . 157 TRP N . 17158 1 572 . 1 1 55 55 TRP NE1 N 15 129.638 0.100 2 1 . . . . 157 TRP NE1 . 17158 1 573 . 1 1 56 56 TYR H H 1 9.857 0.020 14 1 . . . . 158 TYR H . 17158 1 574 . 1 1 56 56 TYR HA H 1 6.034 0.020 8 1 . . . . 158 TYR HA . 17158 1 575 . 1 1 56 56 TYR HB2 H 1 3.428 0.020 7 2 . . . . 158 TYR HB2 . 17158 1 576 . 1 1 56 56 TYR HB3 H 1 2.876 0.020 6 2 . . . . 158 TYR HB3 . 17158 1 577 . 1 1 56 56 TYR HD1 H 1 7.153 0.020 11 1 . . . . 158 TYR HD1 . 17158 1 578 . 1 1 56 56 TYR HD2 H 1 7.153 0.020 11 1 . . . . 158 TYR HD2 . 17158 1 579 . 1 1 56 56 TYR HE1 H 1 6.466 0.020 9 1 . . . . 158 TYR HE1 . 17158 1 580 . 1 1 56 56 TYR HE2 H 1 6.466 0.020 9 1 . . . . 158 TYR HE2 . 17158 1 581 . 1 1 56 56 TYR CA C 13 56.799 0.100 6 1 . . . . 158 TYR CA . 17158 1 582 . 1 1 56 56 TYR CB C 13 44.363 0.100 7 1 . . . . 158 TYR CB . 17158 1 583 . 1 1 56 56 TYR CD1 C 13 133.002 0.100 4 1 . . . . 158 TYR CD1 . 17158 1 584 . 1 1 56 56 TYR CD2 C 13 133.002 0.100 4 1 . . . . 158 TYR CD2 . 17158 1 585 . 1 1 56 56 TYR CE1 C 13 118.005 0.100 3 1 . . . . 158 TYR CE1 . 17158 1 586 . 1 1 56 56 TYR CE2 C 13 118.005 0.100 3 1 . . . . 158 TYR CE2 . 17158 1 587 . 1 1 56 56 TYR N N 15 115.604 0.100 14 1 . . . . 158 TYR N . 17158 1 588 . 1 1 57 57 HIS H H 1 9.447 0.020 16 1 . . . . 159 HIS H . 17158 1 589 . 1 1 57 57 HIS HA H 1 5.038 0.020 5 1 . . . . 159 HIS HA . 17158 1 590 . 1 1 57 57 HIS HB2 H 1 3.761 0.020 6 2 . . . . 159 HIS HB2 . 17158 1 591 . 1 1 57 57 HIS HD2 H 1 7.807 0.020 3 1 . . . . 159 HIS HD2 . 17158 1 592 . 1 1 57 57 HIS HE1 H 1 7.326 0.020 2 1 . . . . 159 HIS HE1 . 17158 1 593 . 1 1 57 57 HIS CA C 13 57.620 0.100 4 1 . . . . 159 HIS CA . 17158 1 594 . 1 1 57 57 HIS CB C 13 30.913 0.100 4 1 . . . . 159 HIS CB . 17158 1 595 . 1 1 57 57 HIS CD2 C 13 119.654 0.100 2 1 . . . . 159 HIS CD2 . 17158 1 596 . 1 1 57 57 HIS CE1 C 13 138.593 0.100 2 1 . . . . 159 HIS CE1 . 17158 1 597 . 1 1 57 57 HIS N N 15 120.669 0.100 16 1 . . . . 159 HIS N . 17158 1 598 . 1 1 58 58 PRO HA H 1 4.143 0.020 20 1 . . . . 160 PRO HA . 17158 1 599 . 1 1 58 58 PRO HB2 H 1 2.185 0.020 4 2 . . . . 160 PRO HB2 . 17158 1 600 . 1 1 58 58 PRO HB3 H 1 2.132 0.020 5 2 . . . . 160 PRO HB3 . 17158 1 601 . 1 1 58 58 PRO HD2 H 1 4.457 0.020 2 2 . . . . 160 PRO HD2 . 17158 1 602 . 1 1 58 58 PRO HD3 H 1 4.126 0.020 1 2 . . . . 160 PRO HD3 . 17158 1 603 . 1 1 58 58 PRO HG2 H 1 2.438 0.020 1 2 . . . . 160 PRO HG2 . 17158 1 604 . 1 1 58 58 PRO HG3 H 1 1.741 0.020 1 2 . . . . 160 PRO HG3 . 17158 1 605 . 1 1 58 58 PRO CA C 13 67.000 0.100 18 1 . . . . 160 PRO CA . 17158 1 606 . 1 1 58 58 PRO CB C 13 32.006 0.100 7 1 . . . . 160 PRO CB . 17158 1 607 . 1 1 58 58 PRO CD C 13 50.326 0.100 3 1 . . . . 160 PRO CD . 17158 1 608 . 1 1 58 58 PRO CG C 13 28.645 0.100 2 1 . . . . 160 PRO CG . 17158 1 609 . 1 1 59 59 GLY H H 1 9.321 0.020 11 1 . . . . 161 GLY H . 17158 1 610 . 1 1 59 59 GLY HA2 H 1 4.055 0.020 3 2 . . . . 161 GLY HA2 . 17158 1 611 . 1 1 59 59 GLY HA3 H 1 3.863 0.020 3 2 . . . . 161 GLY HA3 . 17158 1 612 . 1 1 59 59 GLY CA C 13 47.003 0.100 6 1 . . . . 161 GLY CA . 17158 1 613 . 1 1 59 59 GLY N N 15 102.993 0.100 11 1 . . . . 161 GLY N . 17158 1 614 . 1 1 60 60 CYS H H 1 7.206 0.020 11 1 . . . . 162 CYS H . 17158 1 615 . 1 1 60 60 CYS HA H 1 4.272 0.020 4 1 . . . . 162 CYS HA . 17158 1 616 . 1 1 60 60 CYS HB2 H 1 3.554 0.020 3 2 . . . . 162 CYS HB2 . 17158 1 617 . 1 1 60 60 CYS HB3 H 1 3.197 0.020 3 2 . . . . 162 CYS HB3 . 17158 1 618 . 1 1 60 60 CYS CA C 13 62.515 0.100 4 1 . . . . 162 CYS CA . 17158 1 619 . 1 1 60 60 CYS CB C 13 30.369 0.100 5 1 . . . . 162 CYS CB . 17158 1 620 . 1 1 60 60 CYS N N 15 122.482 0.100 11 1 . . . . 162 CYS N . 17158 1 621 . 1 1 61 61 PHE H H 1 8.685 0.020 13 1 . . . . 163 PHE H . 17158 1 622 . 1 1 61 61 PHE HA H 1 3.375 0.020 9 1 . . . . 163 PHE HA . 17158 1 623 . 1 1 61 61 PHE HB2 H 1 3.425 0.020 4 2 . . . . 163 PHE HB2 . 17158 1 624 . 1 1 61 61 PHE HB3 H 1 2.701 0.020 7 2 . . . . 163 PHE HB3 . 17158 1 625 . 1 1 61 61 PHE HD1 H 1 6.501 0.020 5 1 . . . . 163 PHE HD1 . 17158 1 626 . 1 1 61 61 PHE HD2 H 1 6.501 0.020 5 1 . . . . 163 PHE HD2 . 17158 1 627 . 1 1 61 61 PHE HE1 H 1 6.410 0.020 3 1 . . . . 163 PHE HE1 . 17158 1 628 . 1 1 61 61 PHE HE2 H 1 6.410 0.020 3 1 . . . . 163 PHE HE2 . 17158 1 629 . 1 1 61 61 PHE CA C 13 61.167 0.100 6 1 . . . . 163 PHE CA . 17158 1 630 . 1 1 61 61 PHE CB C 13 39.649 0.100 10 1 . . . . 163 PHE CB . 17158 1 631 . 1 1 61 61 PHE CD1 C 13 132.570 0.100 1 1 . . . . 163 PHE CD1 . 17158 1 632 . 1 1 61 61 PHE CD2 C 13 132.570 0.100 1 1 . . . . 163 PHE CD2 . 17158 1 633 . 1 1 61 61 PHE CE1 C 13 129.423 0.100 3 1 . . . . 163 PHE CE1 . 17158 1 634 . 1 1 61 61 PHE CE2 C 13 129.423 0.100 3 1 . . . . 163 PHE CE2 . 17158 1 635 . 1 1 61 61 PHE N N 15 124.428 0.100 13 1 . . . . 163 PHE N . 17158 1 636 . 1 1 62 62 VAL H H 1 8.289 0.020 11 1 . . . . 164 VAL H . 17158 1 637 . 1 1 62 62 VAL HA H 1 3.365 0.020 19 1 . . . . 164 VAL HA . 17158 1 638 . 1 1 62 62 VAL HB H 1 2.298 0.020 17 1 . . . . 164 VAL HB . 17158 1 639 . 1 1 62 62 VAL HG11 H 1 1.178 0.020 11 2 . . . . 164 VAL MG1 . 17158 1 640 . 1 1 62 62 VAL HG12 H 1 1.178 0.020 11 2 . . . . 164 VAL MG1 . 17158 1 641 . 1 1 62 62 VAL HG13 H 1 1.178 0.020 11 2 . . . . 164 VAL MG1 . 17158 1 642 . 1 1 62 62 VAL HG21 H 1 1.111 0.020 11 2 . . . . 164 VAL MG2 . 17158 1 643 . 1 1 62 62 VAL HG22 H 1 1.111 0.020 11 2 . . . . 164 VAL MG2 . 17158 1 644 . 1 1 62 62 VAL HG23 H 1 1.111 0.020 11 2 . . . . 164 VAL MG2 . 17158 1 645 . 1 1 62 62 VAL CA C 13 67.182 0.100 15 1 . . . . 164 VAL CA . 17158 1 646 . 1 1 62 62 VAL CB C 13 32.166 0.100 13 1 . . . . 164 VAL CB . 17158 1 647 . 1 1 62 62 VAL CG1 C 13 23.308 0.100 6 2 . . . . 164 VAL CG1 . 17158 1 648 . 1 1 62 62 VAL CG2 C 13 21.488 0.100 6 2 . . . . 164 VAL CG2 . 17158 1 649 . 1 1 62 62 VAL N N 15 116.236 0.100 11 1 . . . . 164 VAL N . 17158 1 650 . 1 1 63 63 LYS H H 1 7.554 0.020 14 1 . . . . 165 LYS H . 17158 1 651 . 1 1 63 63 LYS HA H 1 4.141 0.020 13 1 . . . . 165 LYS HA . 17158 1 652 . 1 1 63 63 LYS HB2 H 1 2.026 0.020 2 2 . . . . 165 LYS HB2 . 17158 1 653 . 1 1 63 63 LYS HB3 H 1 1.985 0.020 5 2 . . . . 165 LYS HB3 . 17158 1 654 . 1 1 63 63 LYS HE2 H 1 3.057 0.020 1 1 . . . . 165 LYS HE2 . 17158 1 655 . 1 1 63 63 LYS HE3 H 1 3.057 0.020 1 1 . . . . 165 LYS HE3 . 17158 1 656 . 1 1 63 63 LYS CA C 13 59.180 0.100 13 1 . . . . 165 LYS CA . 17158 1 657 . 1 1 63 63 LYS CB C 13 32.742 0.100 5 1 . . . . 165 LYS CB . 17158 1 658 . 1 1 63 63 LYS CD C 13 29.597 0.100 1 1 . . . . 165 LYS CD . 17158 1 659 . 1 1 63 63 LYS CE C 13 42.288 0.100 1 1 . . . . 165 LYS CE . 17158 1 660 . 1 1 63 63 LYS CG C 13 25.276 0.100 1 1 . . . . 165 LYS CG . 17158 1 661 . 1 1 63 63 LYS N N 15 118.801 0.100 14 1 . . . . 165 LYS N . 17158 1 662 . 1 1 64 64 ASN H H 1 7.213 0.020 14 1 . . . . 166 ASN H . 17158 1 663 . 1 1 64 64 ASN HA H 1 5.103 0.020 10 1 . . . . 166 ASN HA . 17158 1 664 . 1 1 64 64 ASN HB2 H 1 2.884 0.020 9 2 . . . . 166 ASN HB2 . 17158 1 665 . 1 1 64 64 ASN HB3 H 1 2.150 0.020 10 2 . . . . 166 ASN HB3 . 17158 1 666 . 1 1 64 64 ASN HD21 H 1 7.515 0.020 1 2 . . . . 166 ASN HD21 . 17158 1 667 . 1 1 64 64 ASN HD22 H 1 7.489 0.020 1 2 . . . . 166 ASN HD22 . 17158 1 668 . 1 1 64 64 ASN CA C 13 52.901 0.100 7 1 . . . . 166 ASN CA . 17158 1 669 . 1 1 64 64 ASN CB C 13 39.746 0.100 11 1 . . . . 166 ASN CB . 17158 1 670 . 1 1 64 64 ASN N N 15 115.911 0.100 14 1 . . . . 166 ASN N . 17158 1 671 . 1 1 64 64 ASN ND2 N 15 113.788 0.100 2 1 . . . . 166 ASN ND2 . 17158 1 672 . 1 1 65 65 ARG H H 1 7.169 0.020 15 1 . . . . 167 ARG H . 17158 1 673 . 1 1 65 65 ARG HA H 1 3.346 0.020 14 1 . . . . 167 ARG HA . 17158 1 674 . 1 1 65 65 ARG HB2 H 1 2.214 0.020 5 2 . . . . 167 ARG HB2 . 17158 1 675 . 1 1 65 65 ARG HB3 H 1 1.877 0.020 6 2 . . . . 167 ARG HB3 . 17158 1 676 . 1 1 65 65 ARG HD2 H 1 3.410 0.020 10 2 . . . . 167 ARG HD2 . 17158 1 677 . 1 1 65 65 ARG HD3 H 1 3.312 0.020 10 2 . . . . 167 ARG HD3 . 17158 1 678 . 1 1 65 65 ARG HE H 1 6.613 0.020 3 1 . . . . 167 ARG HE . 17158 1 679 . 1 1 65 65 ARG HG2 H 1 2.046 0.020 3 2 . . . . 167 ARG HG2 . 17158 1 680 . 1 1 65 65 ARG HG3 H 1 1.742 0.020 3 2 . . . . 167 ARG HG3 . 17158 1 681 . 1 1 65 65 ARG CA C 13 61.077 0.100 15 1 . . . . 167 ARG CA . 17158 1 682 . 1 1 65 65 ARG CB C 13 30.405 0.100 4 1 . . . . 167 ARG CB . 17158 1 683 . 1 1 65 65 ARG CD C 13 44.782 0.100 15 1 . . . . 167 ARG CD . 17158 1 684 . 1 1 65 65 ARG CG C 13 26.616 0.100 1 1 . . . . 167 ARG CG . 17158 1 685 . 1 1 65 65 ARG N N 15 119.645 0.100 14 1 . . . . 167 ARG N . 17158 1 686 . 1 1 65 65 ARG NE N 15 119.847 0.100 1 1 . . . . 167 ARG NE . 17158 1 687 . 1 1 66 66 GLU H H 1 8.480 0.020 19 1 . . . . 168 GLU H . 17158 1 688 . 1 1 66 66 GLU HA H 1 4.057 0.020 2 1 . . . . 168 GLU HA . 17158 1 689 . 1 1 66 66 GLU HB2 H 1 2.004 0.020 3 2 . . . . 168 GLU HB2 . 17158 1 690 . 1 1 66 66 GLU HG2 H 1 2.309 0.020 1 2 . . . . 168 GLU HG2 . 17158 1 691 . 1 1 66 66 GLU HG3 H 1 2.246 0.020 2 2 . . . . 168 GLU HG3 . 17158 1 692 . 1 1 66 66 GLU CA C 13 59.583 0.100 3 1 . . . . 168 GLU CA . 17158 1 693 . 1 1 66 66 GLU CB C 13 29.099 0.100 4 1 . . . . 168 GLU CB . 17158 1 694 . 1 1 66 66 GLU CG C 13 36.745 0.100 2 1 . . . . 168 GLU CG . 17158 1 695 . 1 1 66 66 GLU N N 15 118.610 0.100 14 1 . . . . 168 GLU N . 17158 1 696 . 1 1 67 67 GLU H H 1 8.529 0.020 13 1 . . . . 169 GLU H . 17158 1 697 . 1 1 67 67 GLU HA H 1 4.018 0.020 2 1 . . . . 169 GLU HA . 17158 1 698 . 1 1 67 67 GLU HB2 H 1 2.152 0.020 3 2 . . . . 169 GLU HB2 . 17158 1 699 . 1 1 67 67 GLU HB3 H 1 2.014 0.020 3 2 . . . . 169 GLU HB3 . 17158 1 700 . 1 1 67 67 GLU HG2 H 1 2.328 0.020 1 2 . . . . 169 GLU HG2 . 17158 1 701 . 1 1 67 67 GLU CA C 13 59.215 0.100 2 1 . . . . 169 GLU CA . 17158 1 702 . 1 1 67 67 GLU CB C 13 29.275 0.100 4 1 . . . . 169 GLU CB . 17158 1 703 . 1 1 67 67 GLU CG C 13 36.759 0.100 2 1 . . . . 169 GLU CG . 17158 1 704 . 1 1 67 67 GLU N N 15 123.592 0.100 8 1 . . . . 169 GLU N . 17158 1 705 . 1 1 68 68 LEU H H 1 7.861 0.020 16 1 . . . . 170 LEU H . 17158 1 706 . 1 1 68 68 LEU HA H 1 4.192 0.020 13 1 . . . . 170 LEU HA . 17158 1 707 . 1 1 68 68 LEU HB2 H 1 1.442 0.020 12 2 . . . . 170 LEU HB2 . 17158 1 708 . 1 1 68 68 LEU HB3 H 1 1.311 0.020 11 2 . . . . 170 LEU HB3 . 17158 1 709 . 1 1 68 68 LEU HD11 H 1 0.744 0.020 18 2 . . . . 170 LEU MD1 . 17158 1 710 . 1 1 68 68 LEU HD12 H 1 0.744 0.020 18 2 . . . . 170 LEU MD1 . 17158 1 711 . 1 1 68 68 LEU HD13 H 1 0.744 0.020 18 2 . . . . 170 LEU MD1 . 17158 1 712 . 1 1 68 68 LEU HD21 H 1 -0.379 0.020 19 2 . . . . 170 LEU MD2 . 17158 1 713 . 1 1 68 68 LEU HD22 H 1 -0.379 0.020 19 2 . . . . 170 LEU MD2 . 17158 1 714 . 1 1 68 68 LEU HD23 H 1 -0.379 0.020 19 2 . . . . 170 LEU MD2 . 17158 1 715 . 1 1 68 68 LEU HG H 1 1.433 0.020 2 1 . . . . 170 LEU HG . 17158 1 716 . 1 1 68 68 LEU CA C 13 55.460 0.100 13 1 . . . . 170 LEU CA . 17158 1 717 . 1 1 68 68 LEU CB C 13 43.086 0.100 21 1 . . . . 170 LEU CB . 17158 1 718 . 1 1 68 68 LEU CD1 C 13 22.322 0.100 16 2 . . . . 170 LEU CD1 . 17158 1 719 . 1 1 68 68 LEU CD2 C 13 25.092 0.100 16 2 . . . . 170 LEU CD2 . 17158 1 720 . 1 1 68 68 LEU CG C 13 26.188 0.100 3 1 . . . . 170 LEU CG . 17158 1 721 . 1 1 68 68 LEU N N 15 116.298 0.100 16 1 . . . . 170 LEU N . 17158 1 722 . 1 1 69 69 GLY H H 1 7.827 0.020 11 1 . . . . 171 GLY H . 17158 1 723 . 1 1 69 69 GLY HA2 H 1 4.303 0.020 3 2 . . . . 171 GLY HA2 . 17158 1 724 . 1 1 69 69 GLY HA3 H 1 3.871 0.020 3 2 . . . . 171 GLY HA3 . 17158 1 725 . 1 1 69 69 GLY CA C 13 45.778 0.100 5 1 . . . . 171 GLY CA . 17158 1 726 . 1 1 69 69 GLY N N 15 107.199 0.100 11 1 . . . . 171 GLY N . 17158 1 727 . 1 1 70 70 PHE H H 1 8.166 0.020 10 1 . . . . 172 PHE H . 17158 1 728 . 1 1 70 70 PHE HA H 1 4.248 0.020 7 1 . . . . 172 PHE HA . 17158 1 729 . 1 1 70 70 PHE HB2 H 1 3.054 0.020 10 2 . . . . 172 PHE HB2 . 17158 1 730 . 1 1 70 70 PHE HB3 H 1 2.093 0.020 9 2 . . . . 172 PHE HB3 . 17158 1 731 . 1 1 70 70 PHE HD1 H 1 6.116 0.020 6 1 . . . . 172 PHE HD1 . 17158 1 732 . 1 1 70 70 PHE HD2 H 1 6.116 0.020 6 1 . . . . 172 PHE HD2 . 17158 1 733 . 1 1 70 70 PHE HE1 H 1 6.722 0.020 4 1 . . . . 172 PHE HE1 . 17158 1 734 . 1 1 70 70 PHE HE2 H 1 6.722 0.020 4 1 . . . . 172 PHE HE2 . 17158 1 735 . 1 1 70 70 PHE CA C 13 58.151 0.100 3 1 . . . . 172 PHE CA . 17158 1 736 . 1 1 70 70 PHE CB C 13 37.205 0.100 13 1 . . . . 172 PHE CB . 17158 1 737 . 1 1 70 70 PHE CD1 C 13 131.548 0.100 2 1 . . . . 172 PHE CD1 . 17158 1 738 . 1 1 70 70 PHE CD2 C 13 131.548 0.100 2 1 . . . . 172 PHE CD2 . 17158 1 739 . 1 1 70 70 PHE CE1 C 13 131.884 0.100 1 1 . . . . 172 PHE CE1 . 17158 1 740 . 1 1 70 70 PHE CE2 C 13 131.884 0.100 1 1 . . . . 172 PHE CE2 . 17158 1 741 . 1 1 70 70 PHE N N 15 123.926 0.100 10 1 . . . . 172 PHE N . 17158 1 742 . 1 1 71 71 ARG H H 1 6.022 0.020 14 1 . . . . 173 ARG H . 17158 1 743 . 1 1 71 71 ARG HA H 1 3.944 0.020 12 1 . . . . 173 ARG HA . 17158 1 744 . 1 1 71 71 ARG HB2 H 1 1.723 0.020 4 2 . . . . 173 ARG HB2 . 17158 1 745 . 1 1 71 71 ARG HB3 H 1 -0.151 0.020 7 2 . . . . 173 ARG HB3 . 17158 1 746 . 1 1 71 71 ARG HD2 H 1 3.127 0.020 8 2 . . . . 173 ARG HD2 . 17158 1 747 . 1 1 71 71 ARG HD3 H 1 2.921 0.020 8 2 . . . . 173 ARG HD3 . 17158 1 748 . 1 1 71 71 ARG HG2 H 1 1.300 0.020 3 2 . . . . 173 ARG HG2 . 17158 1 749 . 1 1 71 71 ARG CA C 13 55.661 0.100 10 1 . . . . 173 ARG CA . 17158 1 750 . 1 1 71 71 ARG CB C 13 28.109 0.100 5 1 . . . . 173 ARG CB . 17158 1 751 . 1 1 71 71 ARG CD C 13 42.814 0.100 13 1 . . . . 173 ARG CD . 17158 1 752 . 1 1 71 71 ARG CG C 13 27.163 0.100 1 1 . . . . 173 ARG CG . 17158 1 753 . 1 1 71 71 ARG N N 15 127.132 0.100 14 1 . . . . 173 ARG N . 17158 1 754 . 1 1 72 72 PRO HA H 1 4.200 0.020 13 1 . . . . 174 PRO HA . 17158 1 755 . 1 1 72 72 PRO HB2 H 1 2.337 0.020 3 2 . . . . 174 PRO HB2 . 17158 1 756 . 1 1 72 72 PRO HB3 H 1 1.831 0.020 3 2 . . . . 174 PRO HB3 . 17158 1 757 . 1 1 72 72 PRO HD2 H 1 3.776 0.020 2 2 . . . . 174 PRO HD2 . 17158 1 758 . 1 1 72 72 PRO HD3 H 1 3.521 0.020 2 2 . . . . 174 PRO HD3 . 17158 1 759 . 1 1 72 72 PRO HG2 H 1 2.093 0.020 1 2 . . . . 174 PRO HG2 . 17158 1 760 . 1 1 72 72 PRO HG3 H 1 1.988 0.020 1 2 . . . . 174 PRO HG3 . 17158 1 761 . 1 1 72 72 PRO CA C 13 65.339 0.100 13 1 . . . . 174 PRO CA . 17158 1 762 . 1 1 72 72 PRO CB C 13 31.992 0.100 3 1 . . . . 174 PRO CB . 17158 1 763 . 1 1 72 72 PRO CD C 13 50.447 0.100 3 1 . . . . 174 PRO CD . 17158 1 764 . 1 1 72 72 PRO CG C 13 27.665 0.100 1 1 . . . . 174 PRO CG . 17158 1 765 . 1 1 73 73 GLU H H 1 9.048 0.020 16 1 . . . . 175 GLU H . 17158 1 766 . 1 1 73 73 GLU HA H 1 4.227 0.020 3 1 . . . . 175 GLU HA . 17158 1 767 . 1 1 73 73 GLU HB2 H 1 1.974 0.020 3 2 . . . . 175 GLU HB2 . 17158 1 768 . 1 1 73 73 GLU HG2 H 1 2.252 0.020 1 2 . . . . 175 GLU HG2 . 17158 1 769 . 1 1 73 73 GLU HG3 H 1 2.055 0.020 1 2 . . . . 175 GLU HG3 . 17158 1 770 . 1 1 73 73 GLU CA C 13 57.466 0.100 2 1 . . . . 175 GLU CA . 17158 1 771 . 1 1 73 73 GLU CB C 13 28.495 0.100 4 1 . . . . 175 GLU CB . 17158 1 772 . 1 1 73 73 GLU CG C 13 35.843 0.100 2 1 . . . . 175 GLU CG . 17158 1 773 . 1 1 73 73 GLU N N 15 112.890 0.100 13 1 . . . . 175 GLU N . 17158 1 774 . 1 1 74 74 TYR H H 1 7.570 0.020 13 1 . . . . 176 TYR H . 17158 1 775 . 1 1 74 74 TYR HA H 1 4.996 0.020 4 1 . . . . 176 TYR HA . 17158 1 776 . 1 1 74 74 TYR HB2 H 1 1.970 0.020 3 2 . . . . 176 TYR HB2 . 17158 1 777 . 1 1 74 74 TYR HB3 H 1 1.887 0.020 3 2 . . . . 176 TYR HB3 . 17158 1 778 . 1 1 74 74 TYR HD1 H 1 6.182 0.020 8 1 . . . . 176 TYR HD1 . 17158 1 779 . 1 1 74 74 TYR HD2 H 1 6.182 0.020 8 1 . . . . 176 TYR HD2 . 17158 1 780 . 1 1 74 74 TYR HE1 H 1 6.876 0.020 6 1 . . . . 176 TYR HE1 . 17158 1 781 . 1 1 74 74 TYR HE2 H 1 6.876 0.020 6 1 . . . . 176 TYR HE2 . 17158 1 782 . 1 1 74 74 TYR CA C 13 53.298 0.100 4 1 . . . . 176 TYR CA . 17158 1 783 . 1 1 74 74 TYR CB C 13 37.092 0.100 5 1 . . . . 176 TYR CB . 17158 1 784 . 1 1 74 74 TYR CD1 C 13 131.617 0.100 2 1 . . . . 176 TYR CD1 . 17158 1 785 . 1 1 74 74 TYR CD2 C 13 131.617 0.100 2 1 . . . . 176 TYR CD2 . 17158 1 786 . 1 1 74 74 TYR CE1 C 13 117.773 0.100 3 1 . . . . 176 TYR CE1 . 17158 1 787 . 1 1 74 74 TYR CE2 C 13 117.773 0.100 3 1 . . . . 176 TYR CE2 . 17158 1 788 . 1 1 74 74 TYR N N 15 122.849 0.100 13 1 . . . . 176 TYR N . 17158 1 789 . 1 1 75 75 SER H H 1 8.128 0.020 14 1 . . . . 177 SER H . 17158 1 790 . 1 1 75 75 SER HA H 1 4.911 0.020 6 1 . . . . 177 SER HA . 17158 1 791 . 1 1 75 75 SER HB2 H 1 4.175 0.020 6 2 . . . . 177 SER HB2 . 17158 1 792 . 1 1 75 75 SER HB3 H 1 3.668 0.020 6 2 . . . . 177 SER HB3 . 17158 1 793 . 1 1 75 75 SER CA C 13 55.734 0.100 7 1 . . . . 177 SER CA . 17158 1 794 . 1 1 75 75 SER CB C 13 67.429 0.100 11 1 . . . . 177 SER CB . 17158 1 795 . 1 1 75 75 SER N N 15 112.179 0.100 14 1 . . . . 177 SER N . 17158 1 796 . 1 1 76 76 ALA H H 1 8.471 0.020 13 1 . . . . 178 ALA H . 17158 1 797 . 1 1 76 76 ALA HA H 1 3.733 0.020 4 1 . . . . 178 ALA HA . 17158 1 798 . 1 1 76 76 ALA HB1 H 1 1.261 0.020 3 1 . . . . 178 ALA MB . 17158 1 799 . 1 1 76 76 ALA HB2 H 1 1.261 0.020 3 1 . . . . 178 ALA MB . 17158 1 800 . 1 1 76 76 ALA HB3 H 1 1.261 0.020 3 1 . . . . 178 ALA MB . 17158 1 801 . 1 1 76 76 ALA CA C 13 54.511 0.100 4 1 . . . . 178 ALA CA . 17158 1 802 . 1 1 76 76 ALA CB C 13 19.986 0.100 4 1 . . . . 178 ALA CB . 17158 1 803 . 1 1 76 76 ALA N N 15 122.371 0.100 12 1 . . . . 178 ALA N . 17158 1 804 . 1 1 77 77 SER H H 1 7.546 0.020 16 1 . . . . 179 SER H . 17158 1 805 . 1 1 77 77 SER HA H 1 2.343 0.020 11 1 . . . . 179 SER HA . 17158 1 806 . 1 1 77 77 SER HB2 H 1 3.647 0.020 5 2 . . . . 179 SER HB2 . 17158 1 807 . 1 1 77 77 SER HB3 H 1 3.308 0.020 5 2 . . . . 179 SER HB3 . 17158 1 808 . 1 1 77 77 SER CA C 13 59.269 0.100 10 1 . . . . 179 SER CA . 17158 1 809 . 1 1 77 77 SER CB C 13 62.205 0.100 5 1 . . . . 179 SER CB . 17158 1 810 . 1 1 77 77 SER N N 15 106.807 0.100 15 1 . . . . 179 SER N . 17158 1 811 . 1 1 78 78 GLN H H 1 7.658 0.020 13 1 . . . . 180 GLN H . 17158 1 812 . 1 1 78 78 GLN HA H 1 4.279 0.020 3 1 . . . . 180 GLN HA . 17158 1 813 . 1 1 78 78 GLN HB2 H 1 2.366 0.020 1 2 . . . . 180 GLN HB2 . 17158 1 814 . 1 1 78 78 GLN HB3 H 1 2.122 0.020 2 2 . . . . 180 GLN HB3 . 17158 1 815 . 1 1 78 78 GLN HG2 H 1 2.203 0.020 2 2 . . . . 180 GLN HG2 . 17158 1 816 . 1 1 78 78 GLN HG3 H 1 2.043 0.020 2 2 . . . . 180 GLN HG3 . 17158 1 817 . 1 1 78 78 GLN CA C 13 56.445 0.100 3 1 . . . . 180 GLN CA . 17158 1 818 . 1 1 78 78 GLN CB C 13 30.914 0.100 3 1 . . . . 180 GLN CB . 17158 1 819 . 1 1 78 78 GLN CG C 13 36.602 0.100 4 1 . . . . 180 GLN CG . 17158 1 820 . 1 1 78 78 GLN N N 15 118.692 0.100 13 1 . . . . 180 GLN N . 17158 1 821 . 1 1 78 78 GLN NE2 N 15 109.900 0.100 2 1 . . . . 180 GLN NE2 . 17158 1 822 . 1 1 79 79 LEU H H 1 7.735 0.020 14 1 . . . . 181 LEU H . 17158 1 823 . 1 1 79 79 LEU HA H 1 4.127 0.020 9 1 . . . . 181 LEU HA . 17158 1 824 . 1 1 79 79 LEU HB2 H 1 2.012 0.020 7 2 . . . . 181 LEU HB2 . 17158 1 825 . 1 1 79 79 LEU HB3 H 1 1.118 0.020 8 2 . . . . 181 LEU HB3 . 17158 1 826 . 1 1 79 79 LEU HD11 H 1 0.755 0.020 9 2 . . . . 181 LEU MD1 . 17158 1 827 . 1 1 79 79 LEU HD12 H 1 0.755 0.020 9 2 . . . . 181 LEU MD1 . 17158 1 828 . 1 1 79 79 LEU HD13 H 1 0.755 0.020 9 2 . . . . 181 LEU MD1 . 17158 1 829 . 1 1 79 79 LEU HD21 H 1 0.582 0.020 9 2 . . . . 181 LEU MD2 . 17158 1 830 . 1 1 79 79 LEU HD22 H 1 0.582 0.020 9 2 . . . . 181 LEU MD2 . 17158 1 831 . 1 1 79 79 LEU HD23 H 1 0.582 0.020 9 2 . . . . 181 LEU MD2 . 17158 1 832 . 1 1 79 79 LEU HG H 1 1.746 0.020 3 1 . . . . 181 LEU HG . 17158 1 833 . 1 1 79 79 LEU CA C 13 55.628 0.100 10 1 . . . . 181 LEU CA . 17158 1 834 . 1 1 79 79 LEU CB C 13 42.681 0.100 11 1 . . . . 181 LEU CB . 17158 1 835 . 1 1 79 79 LEU CD1 C 13 26.730 0.100 10 2 . . . . 181 LEU CD1 . 17158 1 836 . 1 1 79 79 LEU CD2 C 13 24.561 0.100 8 2 . . . . 181 LEU CD2 . 17158 1 837 . 1 1 79 79 LEU CG C 13 27.119 0.100 1 1 . . . . 181 LEU CG . 17158 1 838 . 1 1 79 79 LEU N N 15 119.828 0.100 14 1 . . . . 181 LEU N . 17158 1 839 . 1 1 80 80 LYS H H 1 9.128 0.020 15 1 . . . . 182 LYS H . 17158 1 840 . 1 1 80 80 LYS HA H 1 4.226 0.020 11 1 . . . . 182 LYS HA . 17158 1 841 . 1 1 80 80 LYS HB2 H 1 2.184 0.020 12 2 . . . . 182 LYS HB2 . 17158 1 842 . 1 1 80 80 LYS HB3 H 1 1.989 0.020 9 2 . . . . 182 LYS HB3 . 17158 1 843 . 1 1 80 80 LYS HE2 H 1 3.089 0.020 3 1 . . . . 182 LYS HE2 . 17158 1 844 . 1 1 80 80 LYS HE3 H 1 3.089 0.020 3 1 . . . . 182 LYS HE3 . 17158 1 845 . 1 1 80 80 LYS HG2 H 1 1.720 0.020 5 2 . . . . 182 LYS HG2 . 17158 1 846 . 1 1 80 80 LYS HG3 H 1 1.563 0.020 7 2 . . . . 182 LYS HG3 . 17158 1 847 . 1 1 80 80 LYS CA C 13 59.038 0.100 13 1 . . . . 182 LYS CA . 17158 1 848 . 1 1 80 80 LYS CB C 13 31.607 0.100 12 1 . . . . 182 LYS CB . 17158 1 849 . 1 1 80 80 LYS CD C 13 29.652 0.100 1 1 . . . . 182 LYS CD . 17158 1 850 . 1 1 80 80 LYS CE C 13 42.288 0.100 1 1 . . . . 182 LYS CE . 17158 1 851 . 1 1 80 80 LYS CG C 13 25.060 0.100 7 1 . . . . 182 LYS CG . 17158 1 852 . 1 1 80 80 LYS N N 15 128.704 0.100 15 1 . . . . 182 LYS N . 17158 1 853 . 1 1 81 81 GLY H H 1 9.040 0.020 14 1 . . . . 183 GLY H . 17158 1 854 . 1 1 81 81 GLY HA2 H 1 4.929 0.020 4 2 . . . . 183 GLY HA2 . 17158 1 855 . 1 1 81 81 GLY HA3 H 1 3.789 0.020 3 2 . . . . 183 GLY HA3 . 17158 1 856 . 1 1 81 81 GLY CA C 13 45.263 0.100 5 1 . . . . 183 GLY CA . 17158 1 857 . 1 1 81 81 GLY N N 15 114.770 0.100 14 1 . . . . 183 GLY N . 17158 1 858 . 1 1 82 82 PHE H H 1 8.233 0.020 11 1 . . . . 184 PHE H . 17158 1 859 . 1 1 82 82 PHE HA H 1 3.769 0.020 7 1 . . . . 184 PHE HA . 17158 1 860 . 1 1 82 82 PHE HB2 H 1 3.454 0.020 10 2 . . . . 184 PHE HB2 . 17158 1 861 . 1 1 82 82 PHE HB3 H 1 3.113 0.020 10 2 . . . . 184 PHE HB3 . 17158 1 862 . 1 1 82 82 PHE HD1 H 1 7.038 0.020 8 1 . . . . 184 PHE HD1 . 17158 1 863 . 1 1 82 82 PHE HD2 H 1 7.038 0.020 8 1 . . . . 184 PHE HD2 . 17158 1 864 . 1 1 82 82 PHE HE1 H 1 7.293 0.020 6 1 . . . . 184 PHE HE1 . 17158 1 865 . 1 1 82 82 PHE HE2 H 1 7.293 0.020 6 1 . . . . 184 PHE HE2 . 17158 1 866 . 1 1 82 82 PHE CA C 13 62.170 0.100 2 1 . . . . 184 PHE CA . 17158 1 867 . 1 1 82 82 PHE CB C 13 40.480 0.100 13 1 . . . . 184 PHE CB . 17158 1 868 . 1 1 82 82 PHE CD1 C 13 132.938 0.100 2 1 . . . . 184 PHE CD1 . 17158 1 869 . 1 1 82 82 PHE CD2 C 13 132.938 0.100 2 1 . . . . 184 PHE CD2 . 17158 1 870 . 1 1 82 82 PHE CE1 C 13 130.656 0.100 2 1 . . . . 184 PHE CE1 . 17158 1 871 . 1 1 82 82 PHE CE2 C 13 130.656 0.100 2 1 . . . . 184 PHE CE2 . 17158 1 872 . 1 1 82 82 PHE N N 15 123.285 0.100 11 1 . . . . 184 PHE N . 17158 1 873 . 1 1 83 83 SER H H 1 8.569 0.020 15 1 . . . . 185 SER H . 17158 1 874 . 1 1 83 83 SER HA H 1 4.005 0.020 4 1 . . . . 185 SER HA . 17158 1 875 . 1 1 83 83 SER HB2 H 1 4.100 0.020 4 2 . . . . 185 SER HB2 . 17158 1 876 . 1 1 83 83 SER CA C 13 60.954 0.100 4 1 . . . . 185 SER CA . 17158 1 877 . 1 1 83 83 SER CB C 13 62.994 0.100 4 1 . . . . 185 SER CB . 17158 1 878 . 1 1 83 83 SER N N 15 108.097 0.100 14 1 . . . . 185 SER N . 17158 1 879 . 1 1 84 84 LEU H H 1 7.416 0.020 15 1 . . . . 186 LEU H . 17158 1 880 . 1 1 84 84 LEU HA H 1 4.387 0.020 6 1 . . . . 186 LEU HA . 17158 1 881 . 1 1 84 84 LEU HB2 H 1 1.813 0.020 6 2 . . . . 186 LEU HB2 . 17158 1 882 . 1 1 84 84 LEU HB3 H 1 1.708 0.020 4 2 . . . . 186 LEU HB3 . 17158 1 883 . 1 1 84 84 LEU HD11 H 1 1.057 0.020 8 2 . . . . 186 LEU MD1 . 17158 1 884 . 1 1 84 84 LEU HD12 H 1 1.057 0.020 8 2 . . . . 186 LEU MD1 . 17158 1 885 . 1 1 84 84 LEU HD13 H 1 1.057 0.020 8 2 . . . . 186 LEU MD1 . 17158 1 886 . 1 1 84 84 LEU HD21 H 1 0.915 0.020 8 2 . . . . 186 LEU MD2 . 17158 1 887 . 1 1 84 84 LEU HD22 H 1 0.915 0.020 8 2 . . . . 186 LEU MD2 . 17158 1 888 . 1 1 84 84 LEU HD23 H 1 0.915 0.020 8 2 . . . . 186 LEU MD2 . 17158 1 889 . 1 1 84 84 LEU HG H 1 1.704 0.020 2 1 . . . . 186 LEU HG . 17158 1 890 . 1 1 84 84 LEU CA C 13 55.016 0.100 5 1 . . . . 186 LEU CA . 17158 1 891 . 1 1 84 84 LEU CB C 13 42.098 0.100 7 1 . . . . 186 LEU CB . 17158 1 892 . 1 1 84 84 LEU CD1 C 13 25.345 0.100 6 2 . . . . 186 LEU CD1 . 17158 1 893 . 1 1 84 84 LEU CD2 C 13 22.526 0.100 9 2 . . . . 186 LEU CD2 . 17158 1 894 . 1 1 84 84 LEU N N 15 119.911 0.100 14 1 . . . . 186 LEU N . 17158 1 895 . 1 1 85 85 LEU H H 1 7.313 0.020 12 1 . . . . 187 LEU H . 17158 1 896 . 1 1 85 85 LEU HA H 1 4.295 0.020 5 1 . . . . 187 LEU HA . 17158 1 897 . 1 1 85 85 LEU HB2 H 1 1.577 0.020 3 2 . . . . 187 LEU HB2 . 17158 1 898 . 1 1 85 85 LEU HB3 H 1 1.173 0.020 5 2 . . . . 187 LEU HB3 . 17158 1 899 . 1 1 85 85 LEU HD11 H 1 0.407 0.020 5 2 . . . . 187 LEU MD1 . 17158 1 900 . 1 1 85 85 LEU HD12 H 1 0.407 0.020 5 2 . . . . 187 LEU MD1 . 17158 1 901 . 1 1 85 85 LEU HD13 H 1 0.407 0.020 5 2 . . . . 187 LEU MD1 . 17158 1 902 . 1 1 85 85 LEU HD21 H 1 0.062 0.020 9 2 . . . . 187 LEU MD2 . 17158 1 903 . 1 1 85 85 LEU HD22 H 1 0.062 0.020 9 2 . . . . 187 LEU MD2 . 17158 1 904 . 1 1 85 85 LEU HD23 H 1 0.062 0.020 9 2 . . . . 187 LEU MD2 . 17158 1 905 . 1 1 85 85 LEU HG H 1 1.602 0.020 2 1 . . . . 187 LEU HG . 17158 1 906 . 1 1 85 85 LEU CA C 13 54.573 0.100 3 1 . . . . 187 LEU CA . 17158 1 907 . 1 1 85 85 LEU CB C 13 42.114 0.100 4 1 . . . . 187 LEU CB . 17158 1 908 . 1 1 85 85 LEU CD1 C 13 26.553 0.100 4 2 . . . . 187 LEU CD1 . 17158 1 909 . 1 1 85 85 LEU CD2 C 13 21.903 0.100 7 2 . . . . 187 LEU CD2 . 17158 1 910 . 1 1 85 85 LEU N N 15 119.489 0.100 12 1 . . . . 187 LEU N . 17158 1 911 . 1 1 86 86 ALA H H 1 8.878 0.020 13 1 . . . . 188 ALA H . 17158 1 912 . 1 1 86 86 ALA HA H 1 4.454 0.020 4 1 . . . . 188 ALA HA . 17158 1 913 . 1 1 86 86 ALA HB1 H 1 1.643 0.020 4 1 . . . . 188 ALA MB . 17158 1 914 . 1 1 86 86 ALA HB2 H 1 1.643 0.020 4 1 . . . . 188 ALA MB . 17158 1 915 . 1 1 86 86 ALA HB3 H 1 1.643 0.020 4 1 . . . . 188 ALA MB . 17158 1 916 . 1 1 86 86 ALA CA C 13 52.155 0.100 4 1 . . . . 188 ALA CA . 17158 1 917 . 1 1 86 86 ALA CB C 13 19.109 0.100 4 1 . . . . 188 ALA CB . 17158 1 918 . 1 1 86 86 ALA N N 15 122.655 0.100 13 1 . . . . 188 ALA N . 17158 1 919 . 1 1 87 87 THR H H 1 8.952 0.020 12 1 . . . . 189 THR H . 17158 1 920 . 1 1 87 87 THR HA H 1 3.663 0.020 5 1 . . . . 189 THR HA . 17158 1 921 . 1 1 87 87 THR HB H 1 4.137 0.020 10 1 . . . . 189 THR HB . 17158 1 922 . 1 1 87 87 THR HG21 H 1 1.292 0.020 2 1 . . . . 189 THR MG . 17158 1 923 . 1 1 87 87 THR HG22 H 1 1.292 0.020 2 1 . . . . 189 THR MG . 17158 1 924 . 1 1 87 87 THR HG23 H 1 1.292 0.020 2 1 . . . . 189 THR MG . 17158 1 925 . 1 1 87 87 THR CA C 13 67.570 0.100 5 1 . . . . 189 THR CA . 17158 1 926 . 1 1 87 87 THR CB C 13 69.083 0.100 9 1 . . . . 189 THR CB . 17158 1 927 . 1 1 87 87 THR CG2 C 13 22.056 0.100 2 1 . . . . 189 THR CG2 . 17158 1 928 . 1 1 87 87 THR N N 15 119.412 0.100 12 1 . . . . 189 THR N . 17158 1 929 . 1 1 88 88 GLU H H 1 9.687 0.020 13 1 . . . . 190 GLU H . 17158 1 930 . 1 1 88 88 GLU HA H 1 4.101 0.020 3 1 . . . . 190 GLU HA . 17158 1 931 . 1 1 88 88 GLU HB2 H 1 2.031 0.020 4 2 . . . . 190 GLU HB2 . 17158 1 932 . 1 1 88 88 GLU HG2 H 1 2.361 0.020 1 2 . . . . 190 GLU HG2 . 17158 1 933 . 1 1 88 88 GLU CA C 13 60.099 0.100 4 1 . . . . 190 GLU CA . 17158 1 934 . 1 1 88 88 GLU CB C 13 28.763 0.100 4 1 . . . . 190 GLU CB . 17158 1 935 . 1 1 88 88 GLU CG C 13 36.366 0.100 1 1 . . . . 190 GLU CG . 17158 1 936 . 1 1 88 88 GLU N N 15 118.660 0.100 11 1 . . . . 190 GLU N . 17158 1 937 . 1 1 89 89 ASP H H 1 7.133 0.020 13 1 . . . . 191 ASP H . 17158 1 938 . 1 1 89 89 ASP HA H 1 4.760 0.020 8 1 . . . . 191 ASP HA . 17158 1 939 . 1 1 89 89 ASP HB2 H 1 2.729 0.020 3 2 . . . . 191 ASP HB2 . 17158 1 940 . 1 1 89 89 ASP HB3 H 1 2.534 0.020 3 2 . . . . 191 ASP HB3 . 17158 1 941 . 1 1 89 89 ASP CA C 13 57.468 0.100 6 1 . . . . 191 ASP CA . 17158 1 942 . 1 1 89 89 ASP CB C 13 41.821 0.100 3 1 . . . . 191 ASP CB . 17158 1 943 . 1 1 89 89 ASP N N 15 118.873 0.100 12 1 . . . . 191 ASP N . 17158 1 944 . 1 1 90 90 LYS H H 1 8.285 0.020 12 1 . . . . 192 LYS H . 17158 1 945 . 1 1 90 90 LYS HA H 1 3.612 0.020 20 1 . . . . 192 LYS HA . 17158 1 946 . 1 1 90 90 LYS HB2 H 1 1.999 0.020 4 2 . . . . 192 LYS HB2 . 17158 1 947 . 1 1 90 90 LYS HB3 H 1 1.551 0.020 5 2 . . . . 192 LYS HB3 . 17158 1 948 . 1 1 90 90 LYS HD2 H 1 1.450 0.020 1 2 . . . . 192 LYS HD2 . 17158 1 949 . 1 1 90 90 LYS HD3 H 1 1.299 0.020 4 2 . . . . 192 LYS HD3 . 17158 1 950 . 1 1 90 90 LYS HE2 H 1 2.961 0.020 3 2 . . . . 192 LYS HE2 . 17158 1 951 . 1 1 90 90 LYS HE3 H 1 2.734 0.020 4 2 . . . . 192 LYS HE3 . 17158 1 952 . 1 1 90 90 LYS HG2 H 1 1.056 0.020 3 2 . . . . 192 LYS HG2 . 17158 1 953 . 1 1 90 90 LYS HG3 H 1 -0.102 0.020 8 2 . . . . 192 LYS HG3 . 17158 1 954 . 1 1 90 90 LYS CA C 13 60.704 0.100 21 1 . . . . 192 LYS CA . 17158 1 955 . 1 1 90 90 LYS CB C 13 33.029 0.100 3 1 . . . . 192 LYS CB . 17158 1 956 . 1 1 90 90 LYS CD C 13 30.281 0.100 1 1 . . . . 192 LYS CD . 17158 1 957 . 1 1 90 90 LYS CE C 13 42.096 0.100 6 1 . . . . 192 LYS CE . 17158 1 958 . 1 1 90 90 LYS CG C 13 25.926 0.100 6 1 . . . . 192 LYS CG . 17158 1 959 . 1 1 90 90 LYS N N 15 121.202 0.100 12 1 . . . . 192 LYS N . 17158 1 960 . 1 1 91 91 GLU H H 1 8.310 0.020 11 1 . . . . 193 GLU H . 17158 1 961 . 1 1 91 91 GLU HA H 1 3.992 0.020 2 1 . . . . 193 GLU HA . 17158 1 962 . 1 1 91 91 GLU HB2 H 1 2.083 0.020 2 2 . . . . 193 GLU HB2 . 17158 1 963 . 1 1 91 91 GLU HB3 H 1 2.042 0.020 1 2 . . . . 193 GLU HB3 . 17158 1 964 . 1 1 91 91 GLU HG2 H 1 2.443 0.020 1 2 . . . . 193 GLU HG2 . 17158 1 965 . 1 1 91 91 GLU CA C 13 59.149 0.100 3 1 . . . . 193 GLU CA . 17158 1 966 . 1 1 91 91 GLU CB C 13 29.298 0.100 5 1 . . . . 193 GLU CB . 17158 1 967 . 1 1 91 91 GLU CG C 13 36.352 0.100 1 1 . . . . 193 GLU CG . 17158 1 968 . 1 1 91 91 GLU N N 15 116.094 0.100 7 1 . . . . 193 GLU N . 17158 1 969 . 1 1 92 92 ALA H H 1 7.637 0.020 15 1 . . . . 194 ALA H . 17158 1 970 . 1 1 92 92 ALA HA H 1 4.231 0.020 3 1 . . . . 194 ALA HA . 17158 1 971 . 1 1 92 92 ALA HB1 H 1 1.635 0.020 5 1 . . . . 194 ALA MB . 17158 1 972 . 1 1 92 92 ALA HB2 H 1 1.635 0.020 5 1 . . . . 194 ALA MB . 17158 1 973 . 1 1 92 92 ALA HB3 H 1 1.635 0.020 5 1 . . . . 194 ALA MB . 17158 1 974 . 1 1 92 92 ALA CA C 13 55.377 0.100 3 1 . . . . 194 ALA CA . 17158 1 975 . 1 1 92 92 ALA CB C 13 18.346 0.100 5 1 . . . . 194 ALA CB . 17158 1 976 . 1 1 92 92 ALA N N 15 121.498 0.100 14 1 . . . . 194 ALA N . 17158 1 977 . 1 1 93 93 LEU H H 1 8.176 0.020 14 1 . . . . 195 LEU H . 17158 1 978 . 1 1 93 93 LEU HA H 1 4.240 0.020 10 1 . . . . 195 LEU HA . 17158 1 979 . 1 1 93 93 LEU HB2 H 1 2.101 0.020 9 2 . . . . 195 LEU HB2 . 17158 1 980 . 1 1 93 93 LEU HB3 H 1 1.372 0.020 12 2 . . . . 195 LEU HB3 . 17158 1 981 . 1 1 93 93 LEU HD11 H 1 0.813 0.020 7 2 . . . . 195 LEU MD1 . 17158 1 982 . 1 1 93 93 LEU HD12 H 1 0.813 0.020 7 2 . . . . 195 LEU MD1 . 17158 1 983 . 1 1 93 93 LEU HD13 H 1 0.813 0.020 7 2 . . . . 195 LEU MD1 . 17158 1 984 . 1 1 93 93 LEU HD21 H 1 0.783 0.020 7 2 . . . . 195 LEU MD2 . 17158 1 985 . 1 1 93 93 LEU HD22 H 1 0.783 0.020 7 2 . . . . 195 LEU MD2 . 17158 1 986 . 1 1 93 93 LEU HD23 H 1 0.783 0.020 7 2 . . . . 195 LEU MD2 . 17158 1 987 . 1 1 93 93 LEU HG H 1 1.930 0.020 4 1 . . . . 195 LEU HG . 17158 1 988 . 1 1 93 93 LEU CA C 13 57.770 0.100 11 1 . . . . 195 LEU CA . 17158 1 989 . 1 1 93 93 LEU CB C 13 42.563 0.100 17 1 . . . . 195 LEU CB . 17158 1 990 . 1 1 93 93 LEU CD1 C 13 23.587 0.100 9 2 . . . . 195 LEU CD1 . 17158 1 991 . 1 1 93 93 LEU CD2 C 13 26.094 0.100 9 2 . . . . 195 LEU CD2 . 17158 1 992 . 1 1 93 93 LEU CG C 13 26.999 0.100 2 1 . . . . 195 LEU CG . 17158 1 993 . 1 1 93 93 LEU N N 15 118.492 0.100 13 1 . . . . 195 LEU N . 17158 1 994 . 1 1 94 94 LYS H H 1 8.483 0.020 16 1 . . . . 196 LYS H . 17158 1 995 . 1 1 94 94 LYS HA H 1 3.896 0.020 17 1 . . . . 196 LYS HA . 17158 1 996 . 1 1 94 94 LYS HB2 H 1 1.971 0.020 4 2 . . . . 196 LYS HB2 . 17158 1 997 . 1 1 94 94 LYS HE2 H 1 3.032 0.020 2 1 . . . . 196 LYS HE2 . 17158 1 998 . 1 1 94 94 LYS HE3 H 1 3.032 0.020 2 1 . . . . 196 LYS HE3 . 17158 1 999 . 1 1 94 94 LYS HG2 H 1 1.933 0.020 2 2 . . . . 196 LYS HG2 . 17158 1 1000 . 1 1 94 94 LYS HG3 H 1 1.600 0.020 3 2 . . . . 196 LYS HG3 . 17158 1 1001 . 1 1 94 94 LYS CA C 13 60.045 0.100 16 1 . . . . 196 LYS CA . 17158 1 1002 . 1 1 94 94 LYS CB C 13 32.483 0.100 5 1 . . . . 196 LYS CB . 17158 1 1003 . 1 1 94 94 LYS CD C 13 29.871 0.100 1 1 . . . . 196 LYS CD . 17158 1 1004 . 1 1 94 94 LYS CE C 13 41.870 0.100 2 1 . . . . 196 LYS CE . 17158 1 1005 . 1 1 94 94 LYS CG C 13 26.189 0.100 5 1 . . . . 196 LYS CG . 17158 1 1006 . 1 1 94 94 LYS N N 15 119.102 0.100 13 1 . . . . 196 LYS N . 17158 1 1007 . 1 1 95 95 LYS H H 1 7.365 0.020 16 1 . . . . 197 LYS H . 17158 1 1008 . 1 1 95 95 LYS HA H 1 4.122 0.020 4 1 . . . . 197 LYS HA . 17158 1 1009 . 1 1 95 95 LYS HB2 H 1 1.971 0.020 1 2 . . . . 197 LYS HB2 . 17158 1 1010 . 1 1 95 95 LYS HE2 H 1 3.040 0.020 1 1 . . . . 197 LYS HE2 . 17158 1 1011 . 1 1 95 95 LYS HE3 H 1 3.040 0.020 1 1 . . . . 197 LYS HE3 . 17158 1 1012 . 1 1 95 95 LYS HG2 H 1 1.655 0.020 1 2 . . . . 197 LYS HG2 . 17158 1 1013 . 1 1 95 95 LYS HG3 H 1 1.508 0.020 1 2 . . . . 197 LYS HG3 . 17158 1 1014 . 1 1 95 95 LYS CA C 13 58.665 0.100 5 1 . . . . 197 LYS CA . 17158 1 1015 . 1 1 95 95 LYS CB C 13 32.742 0.100 2 1 . . . . 197 LYS CB . 17158 1 1016 . 1 1 95 95 LYS CE C 13 42.416 0.100 1 1 . . . . 197 LYS CE . 17158 1 1017 . 1 1 95 95 LYS CG C 13 25.609 0.100 2 1 . . . . 197 LYS CG . 17158 1 1018 . 1 1 95 95 LYS N N 15 115.715 0.100 10 1 . . . . 197 LYS N . 17158 1 1019 . 1 1 96 96 GLN H H 1 7.400 0.020 12 1 . . . . 198 GLN H . 17158 1 1020 . 1 1 96 96 GLN HA H 1 4.269 0.020 4 1 . . . . 198 GLN HA . 17158 1 1021 . 1 1 96 96 GLN HB2 H 1 2.164 0.020 4 2 . . . . 198 GLN HB2 . 17158 1 1022 . 1 1 96 96 GLN HB3 H 1 2.113 0.020 1 2 . . . . 198 GLN HB3 . 17158 1 1023 . 1 1 96 96 GLN HG2 H 1 2.642 0.020 3 2 . . . . 198 GLN HG2 . 17158 1 1024 . 1 1 96 96 GLN HG3 H 1 2.305 0.020 8 2 . . . . 198 GLN HG3 . 17158 1 1025 . 1 1 96 96 GLN CA C 13 57.778 0.100 3 1 . . . . 198 GLN CA . 17158 1 1026 . 1 1 96 96 GLN CB C 13 30.694 0.100 3 1 . . . . 198 GLN CB . 17158 1 1027 . 1 1 96 96 GLN CG C 13 33.166 0.100 9 1 . . . . 198 GLN CG . 17158 1 1028 . 1 1 96 96 GLN N N 15 116.179 0.100 12 1 . . . . 198 GLN N . 17158 1 1029 . 1 1 96 96 GLN NE2 N 15 111.712 0.100 2 1 . . . . 198 GLN NE2 . 17158 1 1030 . 1 1 97 97 LEU H H 1 8.110 0.020 14 1 . . . . 199 LEU H . 17158 1 1031 . 1 1 97 97 LEU HA H 1 4.850 0.020 11 1 . . . . 199 LEU HA . 17158 1 1032 . 1 1 97 97 LEU HB2 H 1 1.671 0.020 7 2 . . . . 199 LEU HB2 . 17158 1 1033 . 1 1 97 97 LEU HB3 H 1 1.498 0.020 7 2 . . . . 199 LEU HB3 . 17158 1 1034 . 1 1 97 97 LEU HD11 H 1 0.861 0.020 2 2 . . . . 199 LEU MD1 . 17158 1 1035 . 1 1 97 97 LEU HD12 H 1 0.861 0.020 2 2 . . . . 199 LEU MD1 . 17158 1 1036 . 1 1 97 97 LEU HD13 H 1 0.861 0.020 2 2 . . . . 199 LEU MD1 . 17158 1 1037 . 1 1 97 97 LEU HD21 H 1 0.480 0.020 2 2 . . . . 199 LEU MD2 . 17158 1 1038 . 1 1 97 97 LEU HD22 H 1 0.480 0.020 2 2 . . . . 199 LEU MD2 . 17158 1 1039 . 1 1 97 97 LEU HD23 H 1 0.480 0.020 2 2 . . . . 199 LEU MD2 . 17158 1 1040 . 1 1 97 97 LEU HG H 1 1.430 0.020 1 1 . . . . 199 LEU HG . 17158 1 1041 . 1 1 97 97 LEU CA C 13 51.772 0.100 14 1 . . . . 199 LEU CA . 17158 1 1042 . 1 1 97 97 LEU CB C 13 43.336 0.100 14 1 . . . . 199 LEU CB . 17158 1 1043 . 1 1 97 97 LEU CD1 C 13 23.978 0.100 4 2 . . . . 199 LEU CD1 . 17158 1 1044 . 1 1 97 97 LEU CD2 C 13 25.688 0.100 4 2 . . . . 199 LEU CD2 . 17158 1 1045 . 1 1 97 97 LEU N N 15 118.203 0.100 14 1 . . . . 199 LEU N . 17158 1 1046 . 1 1 98 98 PRO HA H 1 4.867 0.020 17 1 . . . . 200 PRO HA . 17158 1 1047 . 1 1 98 98 PRO HB2 H 1 2.384 0.020 7 2 . . . . 200 PRO HB2 . 17158 1 1048 . 1 1 98 98 PRO HB3 H 1 2.072 0.020 8 2 . . . . 200 PRO HB3 . 17158 1 1049 . 1 1 98 98 PRO HD2 H 1 3.630 0.020 12 2 . . . . 200 PRO HD2 . 17158 1 1050 . 1 1 98 98 PRO HD3 H 1 3.426 0.020 13 2 . . . . 200 PRO HD3 . 17158 1 1051 . 1 1 98 98 PRO HG2 H 1 2.178 0.020 2 2 . . . . 200 PRO HG2 . 17158 1 1052 . 1 1 98 98 PRO HG3 H 1 2.001 0.020 2 2 . . . . 200 PRO HG3 . 17158 1 1053 . 1 1 98 98 PRO CA C 13 63.894 0.100 15 1 . . . . 200 PRO CA . 17158 1 1054 . 1 1 98 98 PRO CB C 13 32.904 0.100 11 1 . . . . 200 PRO CB . 17158 1 1055 . 1 1 98 98 PRO CD C 13 50.114 0.100 24 1 . . . . 200 PRO CD . 17158 1 1056 . 1 1 98 98 PRO CG C 13 26.817 0.100 3 1 . . . . 200 PRO CG . 17158 1 1057 . 1 1 99 99 GLY H H 1 8.491 0.020 13 1 . . . . 201 GLY H . 17158 1 1058 . 1 1 99 99 GLY HA2 H 1 4.426 0.020 4 2 . . . . 201 GLY HA2 . 17158 1 1059 . 1 1 99 99 GLY HA3 H 1 3.533 0.020 4 2 . . . . 201 GLY HA3 . 17158 1 1060 . 1 1 99 99 GLY CA C 13 44.712 0.100 5 1 . . . . 201 GLY CA . 17158 1 1061 . 1 1 99 99 GLY N N 15 108.900 0.100 13 1 . . . . 201 GLY N . 17158 1 1062 . 1 1 100 100 VAL H H 1 8.116 0.020 7 1 . . . . 202 VAL H . 17158 1 1063 . 1 1 100 100 VAL HA H 1 4.204 0.020 8 1 . . . . 202 VAL HA . 17158 1 1064 . 1 1 100 100 VAL HB H 1 1.982 0.020 9 1 . . . . 202 VAL HB . 17158 1 1065 . 1 1 100 100 VAL HG11 H 1 0.898 0.020 6 2 . . . . 202 VAL MG1 . 17158 1 1066 . 1 1 100 100 VAL HG12 H 1 0.898 0.020 6 2 . . . . 202 VAL MG1 . 17158 1 1067 . 1 1 100 100 VAL HG13 H 1 0.898 0.020 6 2 . . . . 202 VAL MG1 . 17158 1 1068 . 1 1 100 100 VAL HG21 H 1 0.838 0.020 1 2 . . . . 202 VAL MG2 . 17158 1 1069 . 1 1 100 100 VAL HG22 H 1 0.838 0.020 1 2 . . . . 202 VAL MG2 . 17158 1 1070 . 1 1 100 100 VAL HG23 H 1 0.838 0.020 1 2 . . . . 202 VAL MG2 . 17158 1 1071 . 1 1 100 100 VAL CA C 13 61.823 0.100 8 1 . . . . 202 VAL CA . 17158 1 1072 . 1 1 100 100 VAL CB C 13 33.335 0.100 7 1 . . . . 202 VAL CB . 17158 1 1073 . 1 1 100 100 VAL CG1 C 13 20.665 0.100 4 2 . . . . 202 VAL CG1 . 17158 1 1074 . 1 1 100 100 VAL CG2 C 13 21.056 0.100 2 2 . . . . 202 VAL CG2 . 17158 1 1075 . 1 1 100 100 VAL N N 15 120.400 0.100 7 1 . . . . 202 VAL N . 17158 1 1076 . 1 1 101 101 LYS H H 1 8.458 0.020 14 1 . . . . 203 LYS H . 17158 1 1077 . 1 1 101 101 LYS HA H 1 4.410 0.020 10 1 . . . . 203 LYS HA . 17158 1 1078 . 1 1 101 101 LYS HB2 H 1 1.876 0.020 7 2 . . . . 203 LYS HB2 . 17158 1 1079 . 1 1 101 101 LYS HB3 H 1 1.790 0.020 7 2 . . . . 203 LYS HB3 . 17158 1 1080 . 1 1 101 101 LYS HG3 H 1 1.470 0.020 2 2 . . . . 203 LYS HG3 . 17158 1 1081 . 1 1 101 101 LYS CA C 13 56.111 0.100 9 1 . . . . 203 LYS CA . 17158 1 1082 . 1 1 101 101 LYS CB C 13 33.245 0.100 10 1 . . . . 203 LYS CB . 17158 1 1083 . 1 1 101 101 LYS CD C 13 29.324 0.100 1 1 . . . . 203 LYS CD . 17158 1 1084 . 1 1 101 101 LYS CE C 13 42.397 0.100 1 1 . . . . 203 LYS CE . 17158 1 1085 . 1 1 101 101 LYS CG C 13 24.893 0.100 1 1 . . . . 203 LYS CG . 17158 1 1086 . 1 1 101 101 LYS N N 15 125.497 0.100 13 1 . . . . 203 LYS N . 17158 1 1087 . 1 1 102 102 SER H H 1 8.455 0.020 15 1 . . . . 204 SER H . 17158 1 1088 . 1 1 102 102 SER HA H 1 4.475 0.020 7 1 . . . . 204 SER HA . 17158 1 1089 . 1 1 102 102 SER HB2 H 1 3.878 0.020 11 2 . . . . 204 SER HB2 . 17158 1 1090 . 1 1 102 102 SER CA C 13 58.257 0.100 7 1 . . . . 204 SER CA . 17158 1 1091 . 1 1 102 102 SER CB C 13 63.913 0.100 9 1 . . . . 204 SER CB . 17158 1 1092 . 1 1 102 102 SER N N 15 118.117 0.100 15 1 . . . . 204 SER N . 17158 1 1093 . 1 1 103 103 GLU H H 1 8.592 0.020 14 1 . . . . 205 GLU H . 17158 1 1094 . 1 1 103 103 GLU HA H 1 4.359 0.020 12 1 . . . . 205 GLU HA . 17158 1 1095 . 1 1 103 103 GLU HB2 H 1 2.114 0.020 3 2 . . . . 205 GLU HB2 . 17158 1 1096 . 1 1 103 103 GLU HB3 H 1 1.979 0.020 3 2 . . . . 205 GLU HB3 . 17158 1 1097 . 1 1 103 103 GLU HG2 H 1 2.443 0.020 1 2 . . . . 205 GLU HG2 . 17158 1 1098 . 1 1 103 103 GLU CA C 13 56.838 0.100 10 1 . . . . 205 GLU CA . 17158 1 1099 . 1 1 103 103 GLU CB C 13 30.446 0.100 3 1 . . . . 205 GLU CB . 17158 1 1100 . 1 1 103 103 GLU CG C 13 36.380 0.100 1 1 . . . . 205 GLU CG . 17158 1 1101 . 1 1 103 103 GLU N N 15 123.408 0.100 14 1 . . . . 205 GLU N . 17158 1 1102 . 1 1 104 104 GLY H H 1 8.450 0.020 15 1 . . . . 206 GLY H . 17158 1 1103 . 1 1 104 104 GLY HA2 H 1 3.979 0.020 4 2 . . . . 206 GLY HA2 . 17158 1 1104 . 1 1 104 104 GLY HA3 H 1 3.966 0.020 3 2 . . . . 206 GLY HA3 . 17158 1 1105 . 1 1 104 104 GLY CA C 13 45.363 0.100 5 1 . . . . 206 GLY CA . 17158 1 1106 . 1 1 104 104 GLY N N 15 109.914 0.100 15 1 . . . . 206 GLY N . 17158 1 1107 . 1 1 105 105 LYS H H 1 8.199 0.020 10 1 . . . . 207 LYS H . 17158 1 1108 . 1 1 105 105 LYS HA H 1 4.365 0.020 4 1 . . . . 207 LYS HA . 17158 1 1109 . 1 1 105 105 LYS HB2 H 1 1.879 0.020 3 2 . . . . 207 LYS HB2 . 17158 1 1110 . 1 1 105 105 LYS HB3 H 1 1.800 0.020 3 2 . . . . 207 LYS HB3 . 17158 1 1111 . 1 1 105 105 LYS CA C 13 56.240 0.100 4 1 . . . . 207 LYS CA . 17158 1 1112 . 1 1 105 105 LYS CB C 13 33.181 0.100 3 1 . . . . 207 LYS CB . 17158 1 1113 . 1 1 105 105 LYS N N 15 121.137 0.100 10 1 . . . . 207 LYS N . 17158 1 1114 . 1 1 106 106 ARG H H 1 8.479 0.020 13 1 . . . . 208 ARG H . 17158 1 1115 . 1 1 106 106 ARG HA H 1 4.308 0.020 2 1 . . . . 208 ARG HA . 17158 1 1116 . 1 1 106 106 ARG HB2 H 1 2.054 0.020 2 2 . . . . 208 ARG HB2 . 17158 1 1117 . 1 1 106 106 ARG HB3 H 1 1.903 0.020 2 2 . . . . 208 ARG HB3 . 17158 1 1118 . 1 1 106 106 ARG CA C 13 56.382 0.100 2 1 . . . . 208 ARG CA . 17158 1 1119 . 1 1 106 106 ARG CB C 13 30.586 0.100 3 1 . . . . 208 ARG CB . 17158 1 1120 . 1 1 106 106 ARG N N 15 123.078 0.100 12 1 . . . . 208 ARG N . 17158 1 1121 . 1 1 107 107 LYS H H 1 8.410 0.020 15 1 . . . . 209 LYS H . 17158 1 1122 . 1 1 107 107 LYS HA H 1 4.342 0.020 3 1 . . . . 209 LYS HA . 17158 1 1123 . 1 1 107 107 LYS HB2 H 1 1.882 0.020 2 2 . . . . 209 LYS HB2 . 17158 1 1124 . 1 1 107 107 LYS HB3 H 1 1.820 0.020 3 2 . . . . 209 LYS HB3 . 17158 1 1125 . 1 1 107 107 LYS CA C 13 56.692 0.100 3 1 . . . . 209 LYS CA . 17158 1 1126 . 1 1 107 107 LYS CB C 13 33.018 0.100 3 1 . . . . 209 LYS CB . 17158 1 1127 . 1 1 107 107 LYS N N 15 122.814 0.100 15 1 . . . . 209 LYS N . 17158 1 1128 . 1 1 108 108 GLY H H 1 8.629 0.020 14 1 . . . . 210 GLY H . 17158 1 1129 . 1 1 108 108 GLY HA2 H 1 4.067 0.020 3 2 . . . . 210 GLY HA2 . 17158 1 1130 . 1 1 108 108 GLY HA3 H 1 3.982 0.020 3 2 . . . . 210 GLY HA3 . 17158 1 1131 . 1 1 108 108 GLY CA C 13 45.470 0.100 3 1 . . . . 210 GLY CA . 17158 1 1132 . 1 1 108 108 GLY N N 15 110.778 0.100 14 1 . . . . 210 GLY N . 17158 1 1133 . 1 1 109 109 ASP H H 1 8.256 0.020 12 1 . . . . 211 ASP H . 17158 1 1134 . 1 1 109 109 ASP HA H 1 4.646 0.020 4 1 . . . . 211 ASP HA . 17158 1 1135 . 1 1 109 109 ASP HB2 H 1 2.741 0.020 3 2 . . . . 211 ASP HB2 . 17158 1 1136 . 1 1 109 109 ASP HB3 H 1 2.677 0.020 3 2 . . . . 211 ASP HB3 . 17158 1 1137 . 1 1 109 109 ASP CA C 13 54.289 0.100 4 1 . . . . 211 ASP CA . 17158 1 1138 . 1 1 109 109 ASP CB C 13 41.169 0.100 3 1 . . . . 211 ASP CB . 17158 1 1139 . 1 1 109 109 ASP N N 15 120.308 0.100 12 1 . . . . 211 ASP N . 17158 1 1140 . 1 1 110 110 GLU H H 1 8.466 0.020 16 1 . . . . 212 GLU H . 17158 1 1141 . 1 1 110 110 GLU HA H 1 4.345 0.020 9 1 . . . . 212 GLU HA . 17158 1 1142 . 1 1 110 110 GLU HB2 H 1 2.126 0.020 4 2 . . . . 212 GLU HB2 . 17158 1 1143 . 1 1 110 110 GLU HB3 H 1 1.988 0.020 4 2 . . . . 212 GLU HB3 . 17158 1 1144 . 1 1 110 110 GLU HG2 H 1 2.274 0.020 0 2 . . . . 212 GLU HG2 . 17158 1 1145 . 1 1 110 110 GLU CA C 13 56.860 0.100 9 1 . . . . 212 GLU CA . 17158 1 1146 . 1 1 110 110 GLU CB C 13 30.080 0.100 3 1 . . . . 212 GLU CB . 17158 1 1147 . 1 1 110 110 GLU CG C 13 36.380 0.100 1 1 . . . . 212 GLU CG . 17158 1 1148 . 1 1 110 110 GLU N N 15 120.782 0.100 16 1 . . . . 212 GLU N . 17158 1 1149 . 1 1 111 111 VAL H H 1 8.141 0.020 15 1 . . . . 213 VAL H . 17158 1 1150 . 1 1 111 111 VAL HA H 1 4.216 0.020 15 1 . . . . 213 VAL HA . 17158 1 1151 . 1 1 111 111 VAL HB H 1 2.167 0.020 9 1 . . . . 213 VAL HB . 17158 1 1152 . 1 1 111 111 VAL HG11 H 1 0.968 0.020 2 2 . . . . 213 VAL MG1 . 17158 1 1153 . 1 1 111 111 VAL HG12 H 1 0.968 0.020 2 2 . . . . 213 VAL MG1 . 17158 1 1154 . 1 1 111 111 VAL HG13 H 1 0.968 0.020 2 2 . . . . 213 VAL MG1 . 17158 1 1155 . 1 1 111 111 VAL HG21 H 1 0.927 0.020 2 2 . . . . 213 VAL MG2 . 17158 1 1156 . 1 1 111 111 VAL HG22 H 1 0.927 0.020 2 2 . . . . 213 VAL MG2 . 17158 1 1157 . 1 1 111 111 VAL HG23 H 1 0.927 0.020 2 2 . . . . 213 VAL MG2 . 17158 1 1158 . 1 1 111 111 VAL CA C 13 61.994 0.100 15 1 . . . . 213 VAL CA . 17158 1 1159 . 1 1 111 111 VAL CB C 13 33.211 0.100 9 1 . . . . 213 VAL CB . 17158 1 1160 . 1 1 111 111 VAL CG1 C 13 21.393 0.100 3 2 . . . . 213 VAL CG1 . 17158 1 1161 . 1 1 111 111 VAL CG2 C 13 20.071 0.100 3 2 . . . . 213 VAL CG2 . 17158 1 1162 . 1 1 111 111 VAL N N 15 120.080 0.100 15 1 . . . . 213 VAL N . 17158 1 1163 . 1 1 112 112 ASP H H 1 8.015 0.020 14 1 . . . . 214 ASP H . 17158 1 1164 . 1 1 112 112 ASP HA H 1 4.404 0.020 1 1 . . . . 214 ASP HA . 17158 1 1165 . 1 1 112 112 ASP HB2 H 1 2.696 0.020 1 2 . . . . 214 ASP HB2 . 17158 1 1166 . 1 1 112 112 ASP HB3 H 1 2.588 0.020 1 2 . . . . 214 ASP HB3 . 17158 1 1167 . 1 1 112 112 ASP CA C 13 56.017 0.100 1 1 . . . . 214 ASP CA . 17158 1 1168 . 1 1 112 112 ASP CB C 13 42.439 0.100 1 1 . . . . 214 ASP CB . 17158 1 1169 . 1 1 112 112 ASP N N 15 129.000 0.100 14 1 . . . . 214 ASP N . 17158 1 stop_ save_