data_15628 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15628 _Entry.Title ; Solution structure of S. aureus PrsA-PPIase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-21 _Entry.Accession_date 2008-01-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _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 Raili Seppala . . . 15628 2 Helena Tossavainen . . . 15628 3 Sami Heikkinen . . . 15628 4 Harri Koskela . . . 15628 5 Vesa Kontinen . . . 15628 6 Perttu Permi . . . 15628 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15628 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID foldase . 15628 parvulin . 15628 PPIase . 15628 'proline isomerase' . 15628 'Staphylococcus aureus' . 15628 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15628 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 484 15628 '15N chemical shifts' 110 15628 '1H chemical shifts' 785 15628 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 . . 2009-07-15 2008-01-21 update BMRB 'completed entry citation' 15628 1 . . 2009-04-01 2008-01-21 original author 'original release' 15628 stop_ save_ ############### # Citations # ############### save_manuscript _Citation.Sf_category citations _Citation.Sf_framecode manuscript _Citation.Entry_ID 15628 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19309529 _Citation.Full_citation . _Citation.Title 'Solution structure of the parvulin-type PPIase domain of Staphylococcus aureus PrsA--implications for the catalytic mechanism of parvulins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 17 _Citation.Page_last 17 _Citation.Year 2009 _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 Outi Heikkinen . . . 15628 1 2 Raili Seppala . . . 15628 1 3 Helena Tossavainen . . . 15628 1 4 Sami Heikkinen . . . 15628 1 5 Harri Koskela . . . 15628 1 6 Perttu Permi . . . 15628 1 7 Ilkka Kilpelainen . . . 15628 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15628 _Assembly.ID 1 _Assembly.Name PrsA-PPIase _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PrsA-PPIase 1 $PrsA-PPIase A . yes native no no . . . 15628 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PrsA-PPIase _Entity.Sf_category entity _Entity.Sf_framecode PrsA-PPIase _Entity.Entry_ID 15628 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PrsA-PPIase _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 ; GPLGSDSKKASHILIKVKSK KSDKEGLDDKEAKQKAEEIQ KEVSKDPSKFGEIAKKESMD TGSAKKDGELGYVLKGQTDK DFEKALFKLKDGEVSEVVKS SFGYHIIKADK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; G -5 P -4 L -3 G -2 S -1 D 140 S 141 K 142 etc. ; _Entity.Polymer_author_seq_details 'GPLGS - cloning artifact' _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12216.032 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JZV . "Solution Structure Of S. Aureus Prsa-Ppiase" . . . . . 100.00 111 100.00 100.00 1.49e-66 . . . . 15628 1 2 no DBJ BAB42927 . "prsA [Staphylococcus aureus subsp. aureus N315]" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 3 no DBJ BAB58003 . "peptidyl-prolyl cis/trans isomerase [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 4 no DBJ BAB95647 . "prsA [Staphylococcus aureus subsp. aureus MW2]" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 5 no DBJ BAF68005 . "peptidyl-prolyl cis/trans-isomerase [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 6 no DBJ BAF78709 . "peptidyl-prolyl cis/trans isomerase [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 7 no EMBL CAG40919 . "putative peptidyl-prolyl cis-isomerase [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 95.50 320 99.06 100.00 2.98e-60 . . . . 15628 1 8 no EMBL CAG43567 . "putative peptidyl-prolyl cis-isomerase [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 9 no EMBL CAI81463 . "probable peptidyl-prolyl cis-isomerase [Staphylococcus aureus RF122]" . . . . . 95.50 320 99.06 100.00 3.43e-60 . . . . 15628 1 10 no EMBL CAQ50323 . "foldase protein PrsA [Staphylococcus aureus subsp. aureus ST398]" . . . . . 95.50 320 99.06 100.00 3.43e-60 . . . . 15628 1 11 no EMBL CBI49709 . "putative peptidyl-prolyl cis-isomerase [Staphylococcus aureus subsp. aureus TW20]" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 12 no GB AAW36910 . "protein export protein PrsA, putative [Staphylococcus aureus subsp. aureus COL]" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 13 no GB ABD22844 . "foldase protein PrsA precursor [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 14 no GB ABD31031 . "protein export protein PrsA, putative [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 15 no GB ABQ49679 . "PpiC-type peptidyl-prolyl cis-trans isomerase [Staphylococcus aureus subsp. aureus JH9]" . . . . . 95.50 271 100.00 100.00 1.19e-61 . . . . 15628 1 16 no GB ABR52762 . "PpiC-type peptidyl-prolyl cis-trans isomerase [Staphylococcus aureus subsp. aureus JH1]" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 17 no REF WP_000295838 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 95.50 213 99.06 100.00 9.76e-61 . . . . 15628 1 18 no REF WP_000315644 . "peptidyl-prolyl cis-trans isomerase, partial [Staphylococcus aureus]" . . . . . 95.50 309 99.06 100.00 2.75e-60 . . . . 15628 1 19 no REF WP_000782118 . "foldase [Staphylococcus aureus]" . . . . . 95.50 320 99.06 100.00 3.36e-60 . . . . 15628 1 20 no REF WP_000782119 . "foldase [Staphylococcus aureus]" . . . . . 95.50 320 99.06 100.00 3.43e-60 . . . . 15628 1 21 no REF WP_000782120 . "peptidyl-prolyl cis-trans isomerase [Staphylococcus aureus]" . . . . . 95.50 320 99.06 100.00 3.15e-60 . . . . 15628 1 22 no SP A6QI23 . "RecName: Full=Foldase protein PrsA; Flags: Precursor" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 23 no SP A6U2U4 . "RecName: Full=Foldase protein PrsA; Flags: Precursor" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 24 no SP A7X3U8 . "RecName: Full=Foldase protein PrsA; Flags: Precursor" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 25 no SP A8YY10 . "RecName: Full=Foldase protein PrsA; Flags: Precursor" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 26 no SP P60747 . "RecName: Full=Foldase protein PrsA; Flags: Precursor" . . . . . 95.50 320 100.00 100.00 9.02e-61 . . . . 15628 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID PPIase 15628 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 -5 GLY . 15628 1 2 -4 PRO . 15628 1 3 -3 LEU . 15628 1 4 -2 GLY . 15628 1 5 -1 SER . 15628 1 6 140 ASP . 15628 1 7 141 SER . 15628 1 8 142 LYS . 15628 1 9 143 LYS . 15628 1 10 144 ALA . 15628 1 11 145 SER . 15628 1 12 146 HIS . 15628 1 13 147 ILE . 15628 1 14 148 LEU . 15628 1 15 149 ILE . 15628 1 16 150 LYS . 15628 1 17 151 VAL . 15628 1 18 152 LYS . 15628 1 19 153 SER . 15628 1 20 154 LYS . 15628 1 21 155 LYS . 15628 1 22 156 SER . 15628 1 23 157 ASP . 15628 1 24 158 LYS . 15628 1 25 159 GLU . 15628 1 26 160 GLY . 15628 1 27 161 LEU . 15628 1 28 162 ASP . 15628 1 29 163 ASP . 15628 1 30 164 LYS . 15628 1 31 165 GLU . 15628 1 32 166 ALA . 15628 1 33 167 LYS . 15628 1 34 168 GLN . 15628 1 35 169 LYS . 15628 1 36 170 ALA . 15628 1 37 171 GLU . 15628 1 38 172 GLU . 15628 1 39 173 ILE . 15628 1 40 174 GLN . 15628 1 41 175 LYS . 15628 1 42 176 GLU . 15628 1 43 177 VAL . 15628 1 44 178 SER . 15628 1 45 179 LYS . 15628 1 46 180 ASP . 15628 1 47 181 PRO . 15628 1 48 182 SER . 15628 1 49 183 LYS . 15628 1 50 184 PHE . 15628 1 51 185 GLY . 15628 1 52 186 GLU . 15628 1 53 187 ILE . 15628 1 54 188 ALA . 15628 1 55 189 LYS . 15628 1 56 190 LYS . 15628 1 57 191 GLU . 15628 1 58 192 SER . 15628 1 59 193 MET . 15628 1 60 194 ASP . 15628 1 61 195 THR . 15628 1 62 196 GLY . 15628 1 63 197 SER . 15628 1 64 198 ALA . 15628 1 65 199 LYS . 15628 1 66 200 LYS . 15628 1 67 201 ASP . 15628 1 68 202 GLY . 15628 1 69 203 GLU . 15628 1 70 204 LEU . 15628 1 71 205 GLY . 15628 1 72 206 TYR . 15628 1 73 207 VAL . 15628 1 74 208 LEU . 15628 1 75 209 LYS . 15628 1 76 210 GLY . 15628 1 77 211 GLN . 15628 1 78 212 THR . 15628 1 79 213 ASP . 15628 1 80 214 LYS . 15628 1 81 215 ASP . 15628 1 82 216 PHE . 15628 1 83 217 GLU . 15628 1 84 218 LYS . 15628 1 85 219 ALA . 15628 1 86 220 LEU . 15628 1 87 221 PHE . 15628 1 88 222 LYS . 15628 1 89 223 LEU . 15628 1 90 224 LYS . 15628 1 91 225 ASP . 15628 1 92 226 GLY . 15628 1 93 227 GLU . 15628 1 94 228 VAL . 15628 1 95 229 SER . 15628 1 96 230 GLU . 15628 1 97 231 VAL . 15628 1 98 232 VAL . 15628 1 99 233 LYS . 15628 1 100 234 SER . 15628 1 101 235 SER . 15628 1 102 236 PHE . 15628 1 103 237 GLY . 15628 1 104 238 TYR . 15628 1 105 239 HIS . 15628 1 106 240 ILE . 15628 1 107 241 ILE . 15628 1 108 242 LYS . 15628 1 109 243 ALA . 15628 1 110 244 ASP . 15628 1 111 245 LYS . 15628 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 15628 1 . PRO 2 2 15628 1 . LEU 3 3 15628 1 . GLY 4 4 15628 1 . SER 5 5 15628 1 . ASP 6 6 15628 1 . SER 7 7 15628 1 . LYS 8 8 15628 1 . LYS 9 9 15628 1 . ALA 10 10 15628 1 . SER 11 11 15628 1 . HIS 12 12 15628 1 . ILE 13 13 15628 1 . LEU 14 14 15628 1 . ILE 15 15 15628 1 . LYS 16 16 15628 1 . VAL 17 17 15628 1 . LYS 18 18 15628 1 . SER 19 19 15628 1 . LYS 20 20 15628 1 . LYS 21 21 15628 1 . SER 22 22 15628 1 . ASP 23 23 15628 1 . LYS 24 24 15628 1 . GLU 25 25 15628 1 . GLY 26 26 15628 1 . LEU 27 27 15628 1 . ASP 28 28 15628 1 . ASP 29 29 15628 1 . LYS 30 30 15628 1 . GLU 31 31 15628 1 . ALA 32 32 15628 1 . LYS 33 33 15628 1 . GLN 34 34 15628 1 . LYS 35 35 15628 1 . ALA 36 36 15628 1 . GLU 37 37 15628 1 . GLU 38 38 15628 1 . ILE 39 39 15628 1 . GLN 40 40 15628 1 . LYS 41 41 15628 1 . GLU 42 42 15628 1 . VAL 43 43 15628 1 . SER 44 44 15628 1 . LYS 45 45 15628 1 . ASP 46 46 15628 1 . PRO 47 47 15628 1 . SER 48 48 15628 1 . LYS 49 49 15628 1 . PHE 50 50 15628 1 . GLY 51 51 15628 1 . GLU 52 52 15628 1 . ILE 53 53 15628 1 . ALA 54 54 15628 1 . LYS 55 55 15628 1 . LYS 56 56 15628 1 . GLU 57 57 15628 1 . SER 58 58 15628 1 . MET 59 59 15628 1 . ASP 60 60 15628 1 . THR 61 61 15628 1 . GLY 62 62 15628 1 . SER 63 63 15628 1 . ALA 64 64 15628 1 . LYS 65 65 15628 1 . LYS 66 66 15628 1 . ASP 67 67 15628 1 . GLY 68 68 15628 1 . GLU 69 69 15628 1 . LEU 70 70 15628 1 . GLY 71 71 15628 1 . TYR 72 72 15628 1 . VAL 73 73 15628 1 . LEU 74 74 15628 1 . LYS 75 75 15628 1 . GLY 76 76 15628 1 . GLN 77 77 15628 1 . THR 78 78 15628 1 . ASP 79 79 15628 1 . LYS 80 80 15628 1 . ASP 81 81 15628 1 . PHE 82 82 15628 1 . GLU 83 83 15628 1 . LYS 84 84 15628 1 . ALA 85 85 15628 1 . LEU 86 86 15628 1 . PHE 87 87 15628 1 . LYS 88 88 15628 1 . LEU 89 89 15628 1 . LYS 90 90 15628 1 . ASP 91 91 15628 1 . GLY 92 92 15628 1 . GLU 93 93 15628 1 . VAL 94 94 15628 1 . SER 95 95 15628 1 . GLU 96 96 15628 1 . VAL 97 97 15628 1 . VAL 98 98 15628 1 . LYS 99 99 15628 1 . SER 100 100 15628 1 . SER 101 101 15628 1 . PHE 102 102 15628 1 . GLY 103 103 15628 1 . TYR 104 104 15628 1 . HIS 105 105 15628 1 . ILE 106 106 15628 1 . ILE 107 107 15628 1 . LYS 108 108 15628 1 . ALA 109 109 15628 1 . ASP 110 110 15628 1 . LYS 111 111 15628 1 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 15628 _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 $PrsA-PPIase . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus 'ATCC 292B' . . . . . . . . . . . . . . . prsA . . . . 15628 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 15628 _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 $PrsA-PPIase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pGEX-2T . . . . . . 15628 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15628 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% 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 PrsA-PPIase [U-15N] . . 1 $PrsA-PPIase . . 0.3 . . mM . . . . 15628 1 2 Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 15628 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15628 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15628 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15628 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% 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 PrsA-PPIase [U-15N] . . 1 $PrsA-PPIase . . 1 . . mM . . . . 15628 2 2 Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 15628 2 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15628 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15628 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15628 _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' 20 . mM 15628 1 pH 6.8 . pH 15628 1 pressure 1 . atm 15628 1 temperature 298 . K 15628 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15628 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15628 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15628 1 processing 15628 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15628 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15628 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15628 2 'data analysis' 15628 2 'peak picking' 15628 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15628 _Software.ID 3 _Software.Name TALOS _Software.Version 2003.027.13.05 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15628 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15628 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15628 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15628 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15628 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15628 _Software.ID 5 _Software.Name AMBER _Software.Version 8.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 15628 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15628 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15628 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15628 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'quality control' 15628 6 stop_ save_ save_What_check _Software.Sf_category software _Software.Sf_framecode What_check _Software.Entry_ID 15628 _Software.ID 7 _Software.Name What_check _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 15628 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'quality control' 15628 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15628 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15628 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15628 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15628 _NMR_spectrometer.ID 4 _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 15628 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 15628 1 2 spectrometer_2 Varian INOVA . 600 . . . 15628 1 3 spectrometer_3 Varian INOVA . 500 . . . 15628 1 4 spectrometer_4 Bruker DRX . 500 . . . 15628 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 15628 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15628 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15628 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15628 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15628 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15628 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15628 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15628 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15628 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15628 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15628 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15628 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15628 1 13 '3D iHNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15628 1 14 '3D 1H-13C NOESY (AROM)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15628 1 15 '(H )C (C C )H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15628 1 16 '(H )C (C C C )H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15628 1 17 'J(CN) intensity modulated constant time 13C-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15628 1 18 '3D R1 resolved 1H-15N-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15628 1 19 '3D R2 resolved 1H-15N-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15628 1 20 'exchange rate resolved 1H-15N-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15628 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 15628 _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 water protons . . . . ppm 4.78 internal indirect 0.251449530 . . . . . . . . . 15628 1 H 1 water protons . . . . ppm 4.78 internal direct 1.000000000 . . . . . . . . . 15628 1 N 15 water protons . . . . ppm 4.78 internal indirect 0.101329118 . . . . . . . . . 15628 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 15628 _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' . . . 15628 1 2 '2D 1H-13C HSQC' . . . 15628 1 3 '3D CBCA(CO)NH' . . . 15628 1 4 '3D C(CO)NH' . . . 15628 1 5 '3D HNCO' . . . 15628 1 6 '3D HNCACB' . . . 15628 1 7 '3D HN(CO)CA' . . . 15628 1 8 '3D H(CCO)NH' . . . 15628 1 9 '3D HCCH-TOCSY' . . . 15628 1 10 '3D HCCH-COSY' . . . 15628 1 11 '3D 1H-15N NOESY' . . . 15628 1 12 '3D 1H-13C NOESY' . . . 15628 1 13 '3D iHNCA' . . . 15628 1 14 '3D 1H-13C NOESY (AROM)' . . . 15628 1 15 '(H )C (C C )H' . . . 15628 1 16 '(H )C (C C C )H' . . . 15628 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.926 0.020 . 2 . . . . -5 GLY HA1 . 15628 1 2 . 1 1 1 1 GLY HA3 H 1 3.926 0.020 . 2 . . . . -5 GLY HA2 . 15628 1 3 . 1 1 1 1 GLY CA C 13 43.386 0.400 . 1 . . . . -5 GLY CA . 15628 1 4 . 1 1 2 2 PRO HA H 1 4.403 0.020 . 1 . . . . -4 PRO HA . 15628 1 5 . 1 1 2 2 PRO HB2 H 1 2.260 0.020 . 2 . . . . -4 PRO HB2 . 15628 1 6 . 1 1 2 2 PRO HB3 H 1 1.894 0.020 . 2 . . . . -4 PRO HB3 . 15628 1 7 . 1 1 2 2 PRO HD2 H 1 3.499 0.020 . 2 . . . . -4 PRO HD2 . 15628 1 8 . 1 1 2 2 PRO HD3 H 1 3.499 0.020 . 2 . . . . -4 PRO HD3 . 15628 1 9 . 1 1 2 2 PRO HG2 H 1 1.951 0.020 . 2 . . . . -4 PRO HG2 . 15628 1 10 . 1 1 2 2 PRO HG3 H 1 1.951 0.020 . 2 . . . . -4 PRO HG3 . 15628 1 11 . 1 1 2 2 PRO C C 13 176.990 0.400 . 1 . . . . -4 PRO C . 15628 1 12 . 1 1 2 2 PRO CA C 13 63.131 0.400 . 1 . . . . -4 PRO CA . 15628 1 13 . 1 1 2 2 PRO CB C 13 32.342 0.400 . 1 . . . . -4 PRO CB . 15628 1 14 . 1 1 2 2 PRO CD C 13 49.654 0.400 . 1 . . . . -4 PRO CD . 15628 1 15 . 1 1 2 2 PRO CG C 13 26.924 0.400 . 1 . . . . -4 PRO CG . 15628 1 16 . 1 1 3 3 LEU H H 1 8.483 0.020 . 1 . . . . -3 LEU HN . 15628 1 17 . 1 1 3 3 LEU HA H 1 4.333 0.020 . 1 . . . . -3 LEU HA . 15628 1 18 . 1 1 3 3 LEU HB2 H 1 1.610 0.020 . 2 . . . . -3 LEU HB2 . 15628 1 19 . 1 1 3 3 LEU HB3 H 1 1.571 0.020 . 2 . . . . -3 LEU HB3 . 15628 1 20 . 1 1 3 3 LEU HD11 H 1 0.864 0.020 . 2 . . . . -3 LEU HD1 . 15628 1 21 . 1 1 3 3 LEU HD12 H 1 0.864 0.020 . 2 . . . . -3 LEU HD1 . 15628 1 22 . 1 1 3 3 LEU HD13 H 1 0.864 0.020 . 2 . . . . -3 LEU HD1 . 15628 1 23 . 1 1 3 3 LEU HD21 H 1 0.872 0.020 . 2 . . . . -3 LEU HD2 . 15628 1 24 . 1 1 3 3 LEU HD22 H 1 0.872 0.020 . 2 . . . . -3 LEU HD2 . 15628 1 25 . 1 1 3 3 LEU HD23 H 1 0.872 0.020 . 2 . . . . -3 LEU HD2 . 15628 1 26 . 1 1 3 3 LEU HG H 1 1.603 0.020 . 1 . . . . -3 LEU HG . 15628 1 27 . 1 1 3 3 LEU C C 13 177.991 0.400 . 1 . . . . -3 LEU C . 15628 1 28 . 1 1 3 3 LEU CA C 13 55.314 0.400 . 1 . . . . -3 LEU CA . 15628 1 29 . 1 1 3 3 LEU CB C 13 42.244 0.400 . 1 . . . . -3 LEU CB . 15628 1 30 . 1 1 3 3 LEU CD1 C 13 24.789 0.400 . 1 . . . . -3 LEU CD1 . 15628 1 31 . 1 1 3 3 LEU CD2 C 13 23.458 0.400 . 1 . . . . -3 LEU CD2 . 15628 1 32 . 1 1 3 3 LEU CG C 13 26.998 0.400 . 1 . . . . -3 LEU CG . 15628 1 33 . 1 1 3 3 LEU N N 15 122.986 0.400 . 1 . . . . -3 LEU N . 15628 1 34 . 1 1 4 4 GLY H H 1 8.397 0.020 . 1 . . . . -2 GLY HN . 15628 1 35 . 1 1 4 4 GLY HA2 H 1 4.024 0.020 . 2 . . . . -2 GLY HA1 . 15628 1 36 . 1 1 4 4 GLY HA3 H 1 3.976 0.020 . 2 . . . . -2 GLY HA2 . 15628 1 37 . 1 1 4 4 GLY C C 13 174.360 0.400 . 1 . . . . -2 GLY C . 15628 1 38 . 1 1 4 4 GLY CA C 13 45.434 0.400 . 1 . . . . -2 GLY CA . 15628 1 39 . 1 1 4 4 GLY N N 15 110.666 0.400 . 1 . . . . -2 GLY N . 15628 1 40 . 1 1 5 5 SER H H 1 8.226 0.020 . 1 . . . . -1 SER HN . 15628 1 41 . 1 1 5 5 SER HA H 1 4.513 0.020 . 1 . . . . -1 SER HA . 15628 1 42 . 1 1 5 5 SER HB2 H 1 3.923 0.020 . 2 . . . . -1 SER HB2 . 15628 1 43 . 1 1 5 5 SER HB3 H 1 3.883 0.020 . 2 . . . . -1 SER HB3 . 15628 1 44 . 1 1 5 5 SER C C 13 174.364 0.400 . 1 . . . . -1 SER C . 15628 1 45 . 1 1 5 5 SER CA C 13 58.608 0.400 . 1 . . . . -1 SER CA . 15628 1 46 . 1 1 5 5 SER CB C 13 64.031 0.400 . 1 . . . . -1 SER CB . 15628 1 47 . 1 1 5 5 SER N N 15 115.674 0.400 . 1 . . . . -1 SER N . 15628 1 48 . 1 1 6 6 ASP H H 1 8.442 0.020 . 1 . . . . 140 ASP HN . 15628 1 49 . 1 1 6 6 ASP HA H 1 4.663 0.020 . 1 . . . . 140 ASP HA . 15628 1 50 . 1 1 6 6 ASP HB2 H 1 2.732 0.020 . 2 . . . . 140 ASP HB2 . 15628 1 51 . 1 1 6 6 ASP HB3 H 1 2.632 0.020 . 2 . . . . 140 ASP HB3 . 15628 1 52 . 1 1 6 6 ASP C C 13 174.456 0.400 . 1 . . . . 140 ASP C . 15628 1 53 . 1 1 6 6 ASP CA C 13 54.540 0.400 . 1 . . . . 140 ASP CA . 15628 1 54 . 1 1 6 6 ASP CB C 13 41.091 0.400 . 1 . . . . 140 ASP CB . 15628 1 55 . 1 1 6 6 ASP N N 15 122.118 0.400 . 1 . . . . 140 ASP N . 15628 1 56 . 1 1 7 7 SER H H 1 7.913 0.020 . 1 . . . . 141 SER HN . 15628 1 57 . 1 1 7 7 SER HA H 1 5.657 0.020 . 1 . . . . 141 SER HA . 15628 1 58 . 1 1 7 7 SER HB2 H 1 3.742 0.020 . 2 . . . . 141 SER HB2 . 15628 1 59 . 1 1 7 7 SER HB3 H 1 3.628 0.020 . 2 . . . . 141 SER HB3 . 15628 1 60 . 1 1 7 7 SER C C 13 173.753 0.400 . 1 . . . . 141 SER C . 15628 1 61 . 1 1 7 7 SER CA C 13 56.758 0.400 . 1 . . . . 141 SER CA . 15628 1 62 . 1 1 7 7 SER CB C 13 66.774 0.400 . 1 . . . . 141 SER CB . 15628 1 63 . 1 1 7 7 SER N N 15 113.824 0.400 . 1 . . . . 141 SER N . 15628 1 64 . 1 1 8 8 LYS H H 1 8.656 0.020 . 1 . . . . 142 LYS HN . 15628 1 65 . 1 1 8 8 LYS HA H 1 4.543 0.020 . 1 . . . . 142 LYS HA . 15628 1 66 . 1 1 8 8 LYS HB2 H 1 1.082 0.020 . 2 . . . . 142 LYS HB2 . 15628 1 67 . 1 1 8 8 LYS HB3 H 1 1.082 0.020 . 2 . . . . 142 LYS HB3 . 15628 1 68 . 1 1 8 8 LYS HD2 H 1 1.234 0.020 . 2 . . . . 142 LYS HD2 . 15628 1 69 . 1 1 8 8 LYS HD3 H 1 1.177 0.020 . 2 . . . . 142 LYS HD3 . 15628 1 70 . 1 1 8 8 LYS HE2 H 1 2.933 0.020 . 2 . . . . 142 LYS HE2 . 15628 1 71 . 1 1 8 8 LYS HE3 H 1 2.774 0.020 . 2 . . . . 142 LYS HE3 . 15628 1 72 . 1 1 8 8 LYS HG2 H 1 1.089 0.020 . 2 . . . . 142 LYS HG2 . 15628 1 73 . 1 1 8 8 LYS HG3 H 1 0.979 0.020 . 2 . . . . 142 LYS HG3 . 15628 1 74 . 1 1 8 8 LYS C C 13 174.403 0.400 . 1 . . . . 142 LYS C . 15628 1 75 . 1 1 8 8 LYS CA C 13 55.578 0.400 . 1 . . . . 142 LYS CA . 15628 1 76 . 1 1 8 8 LYS CB C 13 36.561 0.400 . 1 . . . . 142 LYS CB . 15628 1 77 . 1 1 8 8 LYS CD C 13 29.193 0.400 . 1 . . . . 142 LYS CD . 15628 1 78 . 1 1 8 8 LYS CE C 13 41.740 0.400 . 1 . . . . 142 LYS CE . 15628 1 79 . 1 1 8 8 LYS CG C 13 24.036 0.400 . 1 . . . . 142 LYS CG . 15628 1 80 . 1 1 8 8 LYS N N 15 123.076 0.400 . 1 . . . . 142 LYS N . 15628 1 81 . 1 1 9 9 LYS H H 1 8.623 0.020 . 1 . . . . 143 LYS HN . 15628 1 82 . 1 1 9 9 LYS HA H 1 4.119 0.020 . 1 . . . . 143 LYS HA . 15628 1 83 . 1 1 9 9 LYS HB2 H 1 1.462 0.020 . 2 . . . . 143 LYS HB2 . 15628 1 84 . 1 1 9 9 LYS HB3 H 1 0.960 0.020 . 2 . . . . 143 LYS HB3 . 15628 1 85 . 1 1 9 9 LYS HD2 H 1 1.259 0.020 . 2 . . . . 143 LYS HD2 . 15628 1 86 . 1 1 9 9 LYS HD3 H 1 1.199 0.020 . 2 . . . . 143 LYS HD3 . 15628 1 87 . 1 1 9 9 LYS HE2 H 1 2.654 0.020 . 2 . . . . 143 LYS HE2 . 15628 1 88 . 1 1 9 9 LYS HE3 H 1 2.654 0.020 . 2 . . . . 143 LYS HE3 . 15628 1 89 . 1 1 9 9 LYS HG2 H 1 0.890 0.020 . 2 . . . . 143 LYS HG2 . 15628 1 90 . 1 1 9 9 LYS HG3 H 1 0.414 0.020 . 2 . . . . 143 LYS HG3 . 15628 1 91 . 1 1 9 9 LYS C C 13 176.144 0.400 . 1 . . . . 143 LYS C . 15628 1 92 . 1 1 9 9 LYS CA C 13 56.683 0.400 . 1 . . . . 143 LYS CA . 15628 1 93 . 1 1 9 9 LYS CB C 13 32.580 0.400 . 1 . . . . 143 LYS CB . 15628 1 94 . 1 1 9 9 LYS CD C 13 29.239 0.400 . 1 . . . . 143 LYS CD . 15628 1 95 . 1 1 9 9 LYS CE C 13 41.984 0.400 . 1 . . . . 143 LYS CE . 15628 1 96 . 1 1 9 9 LYS CG C 13 25.444 0.400 . 1 . . . . 143 LYS CG . 15628 1 97 . 1 1 9 9 LYS N N 15 129.542 0.400 . 1 . . . . 143 LYS N . 15628 1 98 . 1 1 10 10 ALA H H 1 8.151 0.020 . 1 . . . . 144 ALA HN . 15628 1 99 . 1 1 10 10 ALA HA H 1 5.208 0.020 . 1 . . . . 144 ALA HA . 15628 1 100 . 1 1 10 10 ALA HB1 H 1 1.227 0.020 . 1 . . . . 144 ALA HB . 15628 1 101 . 1 1 10 10 ALA HB2 H 1 1.227 0.020 . 1 . . . . 144 ALA HB . 15628 1 102 . 1 1 10 10 ALA HB3 H 1 1.227 0.020 . 1 . . . . 144 ALA HB . 15628 1 103 . 1 1 10 10 ALA C C 13 175.577 0.400 . 1 . . . . 144 ALA C . 15628 1 104 . 1 1 10 10 ALA CA C 13 51.226 0.400 . 1 . . . . 144 ALA CA . 15628 1 105 . 1 1 10 10 ALA CB C 13 25.299 0.400 . 1 . . . . 144 ALA CB . 15628 1 106 . 1 1 10 10 ALA N N 15 127.933 0.400 . 1 . . . . 144 ALA N . 15628 1 107 . 1 1 11 11 SER H H 1 8.679 0.020 . 1 . . . . 145 SER HN . 15628 1 108 . 1 1 11 11 SER HA H 1 5.431 0.020 . 1 . . . . 145 SER HA . 15628 1 109 . 1 1 11 11 SER HB2 H 1 3.702 0.020 . 2 . . . . 145 SER HB2 . 15628 1 110 . 1 1 11 11 SER HB3 H 1 3.287 0.020 . 2 . . . . 145 SER HB3 . 15628 1 111 . 1 1 11 11 SER C C 13 173.072 0.400 . 1 . . . . 145 SER C . 15628 1 112 . 1 1 11 11 SER CA C 13 57.772 0.400 . 1 . . . . 145 SER CA . 15628 1 113 . 1 1 11 11 SER CB C 13 67.301 0.400 . 1 . . . . 145 SER CB . 15628 1 114 . 1 1 11 11 SER N N 15 116.245 0.400 . 1 . . . . 145 SER N . 15628 1 115 . 1 1 12 12 HIS H H 1 9.962 0.020 . 1 . . . . 146 HIS HN . 15628 1 116 . 1 1 12 12 HIS HA H 1 6.332 0.020 . 1 . . . . 146 HIS HA . 15628 1 117 . 1 1 12 12 HIS HB2 H 1 3.503 0.020 . 2 . . . . 146 HIS HB2 . 15628 1 118 . 1 1 12 12 HIS HB3 H 1 3.349 0.020 . 2 . . . . 146 HIS HB3 . 15628 1 119 . 1 1 12 12 HIS HD2 H 1 7.003 0.020 . 1 . . . . 146 HIS HD2 . 15628 1 120 . 1 1 12 12 HIS HE1 H 1 7.674 0.020 . 1 . . . . 146 HIS HE1 . 15628 1 121 . 1 1 12 12 HIS C C 13 173.006 0.400 . 1 . . . . 146 HIS C . 15628 1 122 . 1 1 12 12 HIS CA C 13 55.020 0.400 . 1 . . . . 146 HIS CA . 15628 1 123 . 1 1 12 12 HIS CB C 13 37.071 0.400 . 1 . . . . 146 HIS CB . 15628 1 124 . 1 1 12 12 HIS CD2 C 13 116.400 0.400 . 1 . . . . 146 HIS CD2 . 15628 1 125 . 1 1 12 12 HIS CE1 C 13 136.905 0.400 . 1 . . . . 146 HIS CE1 . 15628 1 126 . 1 1 12 12 HIS N N 15 119.181 0.400 . 1 . . . . 146 HIS N . 15628 1 127 . 1 1 13 13 ILE H H 1 8.976 0.020 . 1 . . . . 147 ILE HN . 15628 1 128 . 1 1 13 13 ILE HA H 1 3.528 0.020 . 1 . . . . 147 ILE HA . 15628 1 129 . 1 1 13 13 ILE HB H 1 1.446 0.020 . 1 . . . . 147 ILE HB . 15628 1 130 . 1 1 13 13 ILE HD11 H 1 -0.045 0.020 . 1 . . . . 147 ILE HD1 . 15628 1 131 . 1 1 13 13 ILE HD12 H 1 -0.045 0.020 . 1 . . . . 147 ILE HD1 . 15628 1 132 . 1 1 13 13 ILE HD13 H 1 -0.045 0.020 . 1 . . . . 147 ILE HD1 . 15628 1 133 . 1 1 13 13 ILE HG12 H 1 1.403 0.020 . 2 . . . . 147 ILE HG12 . 15628 1 134 . 1 1 13 13 ILE HG13 H 1 0.327 0.020 . 2 . . . . 147 ILE HG13 . 15628 1 135 . 1 1 13 13 ILE HG21 H 1 0.530 0.020 . 1 . . . . 147 ILE HG2 . 15628 1 136 . 1 1 13 13 ILE HG22 H 1 0.530 0.020 . 1 . . . . 147 ILE HG2 . 15628 1 137 . 1 1 13 13 ILE HG23 H 1 0.530 0.020 . 1 . . . . 147 ILE HG2 . 15628 1 138 . 1 1 13 13 ILE C C 13 173.010 0.400 . 1 . . . . 147 ILE C . 15628 1 139 . 1 1 13 13 ILE CA C 13 61.273 0.400 . 1 . . . . 147 ILE CA . 15628 1 140 . 1 1 13 13 ILE CB C 13 41.773 0.400 . 1 . . . . 147 ILE CB . 15628 1 141 . 1 1 13 13 ILE CD1 C 13 13.073 0.400 . 1 . . . . 147 ILE CD1 . 15628 1 142 . 1 1 13 13 ILE CG1 C 13 28.767 0.400 . 1 . . . . 147 ILE CG1 . 15628 1 143 . 1 1 13 13 ILE CG2 C 13 16.504 0.400 . 1 . . . . 147 ILE CG2 . 15628 1 144 . 1 1 13 13 ILE N N 15 121.873 0.400 . 1 . . . . 147 ILE N . 15628 1 145 . 1 1 14 14 LEU H H 1 7.627 0.020 . 1 . . . . 148 LEU HN . 15628 1 146 . 1 1 14 14 LEU HA H 1 4.814 0.020 . 1 . . . . 148 LEU HA . 15628 1 147 . 1 1 14 14 LEU HB2 H 1 1.259 0.020 . 2 . . . . 148 LEU HB2 . 15628 1 148 . 1 1 14 14 LEU HB3 H 1 0.750 0.020 . 2 . . . . 148 LEU HB3 . 15628 1 149 . 1 1 14 14 LEU HD11 H 1 0.643 0.020 . 2 . . . . 148 LEU HD1 . 15628 1 150 . 1 1 14 14 LEU HD12 H 1 0.643 0.020 . 2 . . . . 148 LEU HD1 . 15628 1 151 . 1 1 14 14 LEU HD13 H 1 0.643 0.020 . 2 . . . . 148 LEU HD1 . 15628 1 152 . 1 1 14 14 LEU HD21 H 1 -0.054 0.020 . 2 . . . . 148 LEU HD2 . 15628 1 153 . 1 1 14 14 LEU HD22 H 1 -0.054 0.020 . 2 . . . . 148 LEU HD2 . 15628 1 154 . 1 1 14 14 LEU HD23 H 1 -0.054 0.020 . 2 . . . . 148 LEU HD2 . 15628 1 155 . 1 1 14 14 LEU HG H 1 0.960 0.020 . 1 . . . . 148 LEU HG . 15628 1 156 . 1 1 14 14 LEU C C 13 174.112 0.400 . 1 . . . . 148 LEU C . 15628 1 157 . 1 1 14 14 LEU CA C 13 52.574 0.400 . 1 . . . . 148 LEU CA . 15628 1 158 . 1 1 14 14 LEU CB C 13 45.643 0.400 . 1 . . . . 148 LEU CB . 15628 1 159 . 1 1 14 14 LEU CD1 C 13 26.692 0.400 . 1 . . . . 148 LEU CD1 . 15628 1 160 . 1 1 14 14 LEU CD2 C 13 20.285 0.400 . 1 . . . . 148 LEU CD2 . 15628 1 161 . 1 1 14 14 LEU CG C 13 27.724 0.400 . 1 . . . . 148 LEU CG . 15628 1 162 . 1 1 14 14 LEU N N 15 127.112 0.400 . 1 . . . . 148 LEU N . 15628 1 163 . 1 1 15 15 ILE H H 1 9.524 0.020 . 1 . . . . 149 ILE HN . 15628 1 164 . 1 1 15 15 ILE HA H 1 4.362 0.020 . 1 . . . . 149 ILE HA . 15628 1 165 . 1 1 15 15 ILE HB H 1 2.168 0.020 . 1 . . . . 149 ILE HB . 15628 1 166 . 1 1 15 15 ILE HD11 H 1 0.624 0.020 . 1 . . . . 149 ILE HD1 . 15628 1 167 . 1 1 15 15 ILE HD12 H 1 0.624 0.020 . 1 . . . . 149 ILE HD1 . 15628 1 168 . 1 1 15 15 ILE HD13 H 1 0.624 0.020 . 1 . . . . 149 ILE HD1 . 15628 1 169 . 1 1 15 15 ILE HG12 H 1 1.369 0.020 . 2 . . . . 149 ILE HG12 . 15628 1 170 . 1 1 15 15 ILE HG13 H 1 0.990 0.020 . 2 . . . . 149 ILE HG13 . 15628 1 171 . 1 1 15 15 ILE HG21 H 1 1.050 0.020 . 1 . . . . 149 ILE HG2 . 15628 1 172 . 1 1 15 15 ILE HG22 H 1 1.050 0.020 . 1 . . . . 149 ILE HG2 . 15628 1 173 . 1 1 15 15 ILE HG23 H 1 1.050 0.020 . 1 . . . . 149 ILE HG2 . 15628 1 174 . 1 1 15 15 ILE C C 13 175.452 0.400 . 1 . . . . 149 ILE C . 15628 1 175 . 1 1 15 15 ILE CA C 13 58.516 0.400 . 1 . . . . 149 ILE CA . 15628 1 176 . 1 1 15 15 ILE CB C 13 36.560 0.400 . 1 . . . . 149 ILE CB . 15628 1 177 . 1 1 15 15 ILE CD1 C 13 9.168 0.400 . 1 . . . . 149 ILE CD1 . 15628 1 178 . 1 1 15 15 ILE CG1 C 13 26.064 0.400 . 1 . . . . 149 ILE CG1 . 15628 1 179 . 1 1 15 15 ILE CG2 C 13 17.751 0.400 . 1 . . . . 149 ILE CG2 . 15628 1 180 . 1 1 15 15 ILE N N 15 128.652 0.400 . 1 . . . . 149 ILE N . 15628 1 181 . 1 1 16 16 LYS H H 1 8.035 0.020 . 1 . . . . 150 LYS HN . 15628 1 182 . 1 1 16 16 LYS HA H 1 4.319 0.020 . 1 . . . . 150 LYS HA . 15628 1 183 . 1 1 16 16 LYS HB2 H 1 1.915 0.020 . 2 . . . . 150 LYS HB2 . 15628 1 184 . 1 1 16 16 LYS HB3 H 1 1.594 0.020 . 2 . . . . 150 LYS HB3 . 15628 1 185 . 1 1 16 16 LYS HD2 H 1 1.714 0.020 . 2 . . . . 150 LYS HD2 . 15628 1 186 . 1 1 16 16 LYS HD3 H 1 1.600 0.020 . 2 . . . . 150 LYS HD3 . 15628 1 187 . 1 1 16 16 LYS HE2 H 1 2.975 0.020 . 2 . . . . 150 LYS HE2 . 15628 1 188 . 1 1 16 16 LYS HE3 H 1 2.831 0.020 . 2 . . . . 150 LYS HE3 . 15628 1 189 . 1 1 16 16 LYS HG2 H 1 1.415 0.020 . 2 . . . . 150 LYS HG2 . 15628 1 190 . 1 1 16 16 LYS HG3 H 1 1.286 0.020 . 2 . . . . 150 LYS HG3 . 15628 1 191 . 1 1 16 16 LYS C C 13 175.038 0.400 . 1 . . . . 150 LYS C . 15628 1 192 . 1 1 16 16 LYS CA C 13 57.817 0.400 . 1 . . . . 150 LYS CA . 15628 1 193 . 1 1 16 16 LYS CB C 13 34.853 0.400 . 1 . . . . 150 LYS CB . 15628 1 194 . 1 1 16 16 LYS CD C 13 29.921 0.400 . 1 . . . . 150 LYS CD . 15628 1 195 . 1 1 16 16 LYS CE C 13 42.166 0.400 . 1 . . . . 150 LYS CE . 15628 1 196 . 1 1 16 16 LYS CG C 13 26.947 0.400 . 1 . . . . 150 LYS CG . 15628 1 197 . 1 1 16 16 LYS N N 15 129.153 0.400 . 1 . . . . 150 LYS N . 15628 1 198 . 1 1 17 17 VAL H H 1 8.016 0.020 . 1 . . . . 151 VAL HN . 15628 1 199 . 1 1 17 17 VAL HA H 1 4.873 0.020 . 1 . . . . 151 VAL HA . 15628 1 200 . 1 1 17 17 VAL HB H 1 1.798 0.020 . 1 . . . . 151 VAL HB . 15628 1 201 . 1 1 17 17 VAL HG11 H 1 1.001 0.020 . 2 . . . . 151 VAL HG1 . 15628 1 202 . 1 1 17 17 VAL HG12 H 1 1.001 0.020 . 2 . . . . 151 VAL HG1 . 15628 1 203 . 1 1 17 17 VAL HG13 H 1 1.001 0.020 . 2 . . . . 151 VAL HG1 . 15628 1 204 . 1 1 17 17 VAL HG21 H 1 1.010 0.020 . 2 . . . . 151 VAL HG2 . 15628 1 205 . 1 1 17 17 VAL HG22 H 1 1.010 0.020 . 2 . . . . 151 VAL HG2 . 15628 1 206 . 1 1 17 17 VAL HG23 H 1 1.010 0.020 . 2 . . . . 151 VAL HG2 . 15628 1 207 . 1 1 17 17 VAL C C 13 176.647 0.400 . 1 . . . . 151 VAL C . 15628 1 208 . 1 1 17 17 VAL CA C 13 60.088 0.400 . 1 . . . . 151 VAL CA . 15628 1 209 . 1 1 17 17 VAL CB C 13 34.082 0.400 . 1 . . . . 151 VAL CB . 15628 1 210 . 1 1 17 17 VAL CG1 C 13 23.249 0.400 . 1 . . . . 151 VAL CG1 . 15628 1 211 . 1 1 17 17 VAL CG2 C 13 21.002 0.400 . 1 . . . . 151 VAL CG2 . 15628 1 212 . 1 1 17 17 VAL N N 15 121.288 0.400 . 1 . . . . 151 VAL N . 15628 1 213 . 1 1 18 18 LYS H H 1 8.443 0.020 . 1 . . . . 152 LYS HN . 15628 1 214 . 1 1 18 18 LYS HA H 1 4.334 0.020 . 1 . . . . 152 LYS HA . 15628 1 215 . 1 1 18 18 LYS HB2 H 1 1.747 0.020 . 2 . . . . 152 LYS HB2 . 15628 1 216 . 1 1 18 18 LYS HB3 H 1 1.516 0.020 . 2 . . . . 152 LYS HB3 . 15628 1 217 . 1 1 18 18 LYS HD2 H 1 1.595 0.020 . 2 . . . . 152 LYS HD2 . 15628 1 218 . 1 1 18 18 LYS HD3 H 1 1.551 0.020 . 2 . . . . 152 LYS HD3 . 15628 1 219 . 1 1 18 18 LYS HE2 H 1 2.943 0.020 . 2 . . . . 152 LYS HE2 . 15628 1 220 . 1 1 18 18 LYS HE3 H 1 2.798 0.020 . 2 . . . . 152 LYS HE3 . 15628 1 221 . 1 1 18 18 LYS HG2 H 1 1.228 0.020 . 2 . . . . 152 LYS HG2 . 15628 1 222 . 1 1 18 18 LYS HG3 H 1 1.091 0.020 . 2 . . . . 152 LYS HG3 . 15628 1 223 . 1 1 18 18 LYS C C 13 176.345 0.400 . 1 . . . . 152 LYS C . 15628 1 224 . 1 1 18 18 LYS CA C 13 57.016 0.400 . 1 . . . . 152 LYS CA . 15628 1 225 . 1 1 18 18 LYS CB C 13 33.222 0.400 . 1 . . . . 152 LYS CB . 15628 1 226 . 1 1 18 18 LYS CD C 13 29.622 0.400 . 1 . . . . 152 LYS CD . 15628 1 227 . 1 1 18 18 LYS CE C 13 42.253 0.400 . 1 . . . . 152 LYS CE . 15628 1 228 . 1 1 18 18 LYS CG C 13 24.867 0.400 . 1 . . . . 152 LYS CG . 15628 1 229 . 1 1 18 18 LYS N N 15 128.408 0.400 . 1 . . . . 152 LYS N . 15628 1 230 . 1 1 19 19 SER H H 1 9.067 0.020 . 1 . . . . 153 SER HN . 15628 1 231 . 1 1 19 19 SER HA H 1 4.457 0.020 . 1 . . . . 153 SER HA . 15628 1 232 . 1 1 19 19 SER HB2 H 1 3.990 0.020 . 2 . . . . 153 SER HB2 . 15628 1 233 . 1 1 19 19 SER HB3 H 1 3.911 0.020 . 2 . . . . 153 SER HB3 . 15628 1 234 . 1 1 19 19 SER C C 13 174.236 0.400 . 1 . . . . 153 SER C . 15628 1 235 . 1 1 19 19 SER CA C 13 59.642 0.400 . 1 . . . . 153 SER CA . 15628 1 236 . 1 1 19 19 SER CB C 13 64.347 0.400 . 1 . . . . 153 SER CB . 15628 1 237 . 1 1 19 19 SER N N 15 121.522 0.400 . 1 . . . . 153 SER N . 15628 1 238 . 1 1 20 20 LYS H H 1 7.961 0.020 . 1 . . . . 154 LYS HN . 15628 1 239 . 1 1 20 20 LYS HA H 1 4.558 0.020 . 1 . . . . 154 LYS HA . 15628 1 240 . 1 1 20 20 LYS HB2 H 1 1.915 0.020 . 2 . . . . 154 LYS HB2 . 15628 1 241 . 1 1 20 20 LYS HB3 H 1 1.750 0.020 . 2 . . . . 154 LYS HB3 . 15628 1 242 . 1 1 20 20 LYS HG2 H 1 1.416 0.020 . 2 . . . . 154 LYS HG2 . 15628 1 243 . 1 1 20 20 LYS HG3 H 1 1.325 0.020 . 2 . . . . 154 LYS HG3 . 15628 1 244 . 1 1 20 20 LYS C C 13 177.256 0.400 . 1 . . . . 154 LYS C . 15628 1 245 . 1 1 20 20 LYS CA C 13 55.249 0.400 . 1 . . . . 154 LYS CA . 15628 1 246 . 1 1 20 20 LYS CB C 13 34.531 0.400 . 1 . . . . 154 LYS CB . 15628 1 247 . 1 1 20 20 LYS CG C 13 24.083 0.400 . 1 . . . . 154 LYS CG . 15628 1 248 . 1 1 20 20 LYS N N 15 120.270 0.400 . 1 . . . . 154 LYS N . 15628 1 249 . 1 1 21 21 LYS HA H 1 4.003 0.020 . 1 . . . . 155 LYS HA . 15628 1 250 . 1 1 21 21 LYS HB2 H 1 1.838 0.020 . 2 . . . . 155 LYS HB2 . 15628 1 251 . 1 1 21 21 LYS HB3 H 1 1.838 0.020 . 2 . . . . 155 LYS HB3 . 15628 1 252 . 1 1 21 21 LYS HD2 H 1 1.684 0.020 . 2 . . . . 155 LYS HD2 . 15628 1 253 . 1 1 21 21 LYS HD3 H 1 1.684 0.020 . 2 . . . . 155 LYS HD3 . 15628 1 254 . 1 1 21 21 LYS HE2 H 1 2.988 0.020 . 2 . . . . 155 LYS HE2 . 15628 1 255 . 1 1 21 21 LYS HE3 H 1 2.988 0.020 . 2 . . . . 155 LYS HE3 . 15628 1 256 . 1 1 21 21 LYS HG2 H 1 1.487 0.020 . 2 . . . . 155 LYS HG2 . 15628 1 257 . 1 1 21 21 LYS HG3 H 1 1.487 0.020 . 2 . . . . 155 LYS HG3 . 15628 1 258 . 1 1 21 21 LYS C C 13 177.015 0.400 . 1 . . . . 155 LYS C . 15628 1 259 . 1 1 21 21 LYS CA C 13 59.091 0.400 . 1 . . . . 155 LYS CA . 15628 1 260 . 1 1 21 21 LYS CB C 13 32.394 0.400 . 1 . . . . 155 LYS CB . 15628 1 261 . 1 1 21 21 LYS CD C 13 29.200 0.400 . 1 . . . . 155 LYS CD . 15628 1 262 . 1 1 21 21 LYS CE C 13 42.179 0.400 . 1 . . . . 155 LYS CE . 15628 1 263 . 1 1 21 21 LYS CG C 13 24.820 0.400 . 1 . . . . 155 LYS CG . 15628 1 264 . 1 1 22 22 SER H H 1 7.625 0.020 . 1 . . . . 156 SER HN . 15628 1 265 . 1 1 22 22 SER HA H 1 4.293 0.020 . 1 . . . . 156 SER HA . 15628 1 266 . 1 1 22 22 SER HB2 H 1 4.082 0.020 . 2 . . . . 156 SER HB2 . 15628 1 267 . 1 1 22 22 SER HB3 H 1 3.766 0.020 . 2 . . . . 156 SER HB3 . 15628 1 268 . 1 1 22 22 SER C C 13 174.843 0.400 . 1 . . . . 156 SER C . 15628 1 269 . 1 1 22 22 SER CA C 13 57.966 0.400 . 1 . . . . 156 SER CA . 15628 1 270 . 1 1 22 22 SER CB C 13 63.369 0.400 . 1 . . . . 156 SER CB . 15628 1 271 . 1 1 22 22 SER N N 15 109.549 0.400 . 1 . . . . 156 SER N . 15628 1 272 . 1 1 23 23 ASP H H 1 7.701 0.020 . 1 . . . . 157 ASP HN . 15628 1 273 . 1 1 23 23 ASP HA H 1 4.548 0.020 . 1 . . . . 157 ASP HA . 15628 1 274 . 1 1 23 23 ASP HB2 H 1 2.887 0.020 . 2 . . . . 157 ASP HB2 . 15628 1 275 . 1 1 23 23 ASP HB3 H 1 2.807 0.020 . 2 . . . . 157 ASP HB3 . 15628 1 276 . 1 1 23 23 ASP C C 13 176.544 0.400 . 1 . . . . 157 ASP C . 15628 1 277 . 1 1 23 23 ASP CA C 13 55.242 0.400 . 1 . . . . 157 ASP CA . 15628 1 278 . 1 1 23 23 ASP CB C 13 41.103 0.400 . 1 . . . . 157 ASP CB . 15628 1 279 . 1 1 23 23 ASP N N 15 124.536 0.400 . 1 . . . . 157 ASP N . 15628 1 280 . 1 1 24 24 LYS H H 1 8.583 0.020 . 1 . . . . 158 LYS HN . 15628 1 281 . 1 1 24 24 LYS HA H 1 4.252 0.020 . 1 . . . . 158 LYS HA . 15628 1 282 . 1 1 24 24 LYS HB2 H 1 1.939 0.020 . 2 . . . . 158 LYS HB2 . 15628 1 283 . 1 1 24 24 LYS HB3 H 1 1.805 0.020 . 2 . . . . 158 LYS HB3 . 15628 1 284 . 1 1 24 24 LYS HD2 H 1 1.701 0.020 . 2 . . . . 158 LYS HD2 . 15628 1 285 . 1 1 24 24 LYS HD3 H 1 1.701 0.020 . 2 . . . . 158 LYS HD3 . 15628 1 286 . 1 1 24 24 LYS HE2 H 1 3.027 0.020 . 2 . . . . 158 LYS HE2 . 15628 1 287 . 1 1 24 24 LYS HE3 H 1 3.027 0.020 . 2 . . . . 158 LYS HE3 . 15628 1 288 . 1 1 24 24 LYS HG2 H 1 1.565 0.020 . 2 . . . . 158 LYS HG2 . 15628 1 289 . 1 1 24 24 LYS HG3 H 1 1.469 0.020 . 2 . . . . 158 LYS HG3 . 15628 1 290 . 1 1 24 24 LYS C C 13 176.813 0.400 . 1 . . . . 158 LYS C . 15628 1 291 . 1 1 24 24 LYS CA C 13 57.148 0.400 . 1 . . . . 158 LYS CA . 15628 1 292 . 1 1 24 24 LYS CB C 13 33.200 0.400 . 1 . . . . 158 LYS CB . 15628 1 293 . 1 1 24 24 LYS CD C 13 28.819 0.400 . 1 . . . . 158 LYS CD . 15628 1 294 . 1 1 24 24 LYS CE C 13 42.232 0.400 . 1 . . . . 158 LYS CE . 15628 1 295 . 1 1 24 24 LYS CG C 13 24.878 0.400 . 1 . . . . 158 LYS CG . 15628 1 296 . 1 1 24 24 LYS N N 15 122.372 0.400 . 1 . . . . 158 LYS N . 15628 1 297 . 1 1 25 25 GLU H H 1 8.001 0.020 . 1 . . . . 159 GLU HN . 15628 1 298 . 1 1 25 25 GLU HA H 1 4.521 0.020 . 1 . . . . 159 GLU HA . 15628 1 299 . 1 1 25 25 GLU HB2 H 1 1.994 0.020 . 2 . . . . 159 GLU HB2 . 15628 1 300 . 1 1 25 25 GLU HB3 H 1 1.936 0.020 . 2 . . . . 159 GLU HB3 . 15628 1 301 . 1 1 25 25 GLU HG2 H 1 2.196 0.020 . 2 . . . . 159 GLU HG2 . 15628 1 302 . 1 1 25 25 GLU HG3 H 1 2.196 0.020 . 2 . . . . 159 GLU HG3 . 15628 1 303 . 1 1 25 25 GLU C C 13 175.995 0.400 . 1 . . . . 159 GLU C . 15628 1 304 . 1 1 25 25 GLU CA C 13 55.727 0.400 . 1 . . . . 159 GLU CA . 15628 1 305 . 1 1 25 25 GLU CB C 13 31.918 0.400 . 1 . . . . 159 GLU CB . 15628 1 306 . 1 1 25 25 GLU CG C 13 36.349 0.400 . 1 . . . . 159 GLU CG . 15628 1 307 . 1 1 25 25 GLU N N 15 118.705 0.400 . 1 . . . . 159 GLU N . 15628 1 308 . 1 1 26 26 GLY H H 1 8.458 0.020 . 1 . . . . 160 GLY HN . 15628 1 309 . 1 1 26 26 GLY HA2 H 1 3.946 0.020 . 2 . . . . 160 GLY HA1 . 15628 1 310 . 1 1 26 26 GLY HA3 H 1 3.511 0.020 . 2 . . . . 160 GLY HA2 . 15628 1 311 . 1 1 26 26 GLY C C 13 172.201 0.400 . 1 . . . . 160 GLY C . 15628 1 312 . 1 1 26 26 GLY CA C 13 44.038 0.400 . 1 . . . . 160 GLY CA . 15628 1 313 . 1 1 26 26 GLY N N 15 107.642 0.400 . 1 . . . . 160 GLY N . 15628 1 314 . 1 1 27 27 LEU H H 1 8.259 0.020 . 1 . . . . 161 LEU HN . 15628 1 315 . 1 1 27 27 LEU HA H 1 4.775 0.020 . 1 . . . . 161 LEU HA . 15628 1 316 . 1 1 27 27 LEU HB2 H 1 1.651 0.020 . 2 . . . . 161 LEU HB2 . 15628 1 317 . 1 1 27 27 LEU HB3 H 1 1.546 0.020 . 2 . . . . 161 LEU HB3 . 15628 1 318 . 1 1 27 27 LEU HD11 H 1 0.801 0.020 . 2 . . . . 161 LEU HD1 . 15628 1 319 . 1 1 27 27 LEU HD12 H 1 0.801 0.020 . 2 . . . . 161 LEU HD1 . 15628 1 320 . 1 1 27 27 LEU HD13 H 1 0.801 0.020 . 2 . . . . 161 LEU HD1 . 15628 1 321 . 1 1 27 27 LEU HD21 H 1 0.862 0.020 . 2 . . . . 161 LEU HD2 . 15628 1 322 . 1 1 27 27 LEU HD22 H 1 0.862 0.020 . 2 . . . . 161 LEU HD2 . 15628 1 323 . 1 1 27 27 LEU HD23 H 1 0.862 0.020 . 2 . . . . 161 LEU HD2 . 15628 1 324 . 1 1 27 27 LEU HG H 1 1.586 0.020 . 1 . . . . 161 LEU HG . 15628 1 325 . 1 1 27 27 LEU C C 13 177.422 0.400 . 1 . . . . 161 LEU C . 15628 1 326 . 1 1 27 27 LEU CA C 13 53.322 0.400 . 1 . . . . 161 LEU CA . 15628 1 327 . 1 1 27 27 LEU CB C 13 45.576 0.400 . 1 . . . . 161 LEU CB . 15628 1 328 . 1 1 27 27 LEU CD1 C 13 25.470 0.400 . 1 . . . . 161 LEU CD1 . 15628 1 329 . 1 1 27 27 LEU CD2 C 13 22.953 0.400 . 1 . . . . 161 LEU CD2 . 15628 1 330 . 1 1 27 27 LEU CG C 13 27.578 0.400 . 1 . . . . 161 LEU CG . 15628 1 331 . 1 1 27 27 LEU N N 15 119.856 0.400 . 1 . . . . 161 LEU N . 15628 1 332 . 1 1 28 28 ASP H H 1 8.848 0.020 . 1 . . . . 162 ASP HN . 15628 1 333 . 1 1 28 28 ASP HA H 1 4.644 0.020 . 1 . . . . 162 ASP HA . 15628 1 334 . 1 1 28 28 ASP HB2 H 1 2.798 0.020 . 2 . . . . 162 ASP HB2 . 15628 1 335 . 1 1 28 28 ASP HB3 H 1 2.742 0.020 . 2 . . . . 162 ASP HB3 . 15628 1 336 . 1 1 28 28 ASP C C 13 176.630 0.400 . 1 . . . . 162 ASP C . 15628 1 337 . 1 1 28 28 ASP CA C 13 55.195 0.400 . 1 . . . . 162 ASP CA . 15628 1 338 . 1 1 28 28 ASP CB C 13 41.673 0.400 . 1 . . . . 162 ASP CB . 15628 1 339 . 1 1 28 28 ASP N N 15 122.434 0.400 . 1 . . . . 162 ASP N . 15628 1 340 . 1 1 29 29 ASP H H 1 8.720 0.020 . 1 . . . . 163 ASP HN . 15628 1 341 . 1 1 29 29 ASP HA H 1 4.386 0.020 . 1 . . . . 163 ASP HA . 15628 1 342 . 1 1 29 29 ASP HB2 H 1 2.779 0.020 . 2 . . . . 163 ASP HB2 . 15628 1 343 . 1 1 29 29 ASP HB3 H 1 2.599 0.020 . 2 . . . . 163 ASP HB3 . 15628 1 344 . 1 1 29 29 ASP C C 13 176.604 0.400 . 1 . . . . 163 ASP C . 15628 1 345 . 1 1 29 29 ASP CA C 13 59.690 0.400 . 1 . . . . 163 ASP CA . 15628 1 346 . 1 1 29 29 ASP CB C 13 42.964 0.400 . 1 . . . . 163 ASP CB . 15628 1 347 . 1 1 29 29 ASP N N 15 121.460 0.400 . 1 . . . . 163 ASP N . 15628 1 348 . 1 1 30 30 LYS H H 1 8.434 0.020 . 1 . . . . 164 LYS HN . 15628 1 349 . 1 1 30 30 LYS HA H 1 3.901 0.020 . 1 . . . . 164 LYS HA . 15628 1 350 . 1 1 30 30 LYS HB2 H 1 1.891 0.020 . 2 . . . . 164 LYS HB2 . 15628 1 351 . 1 1 30 30 LYS HB3 H 1 1.776 0.020 . 2 . . . . 164 LYS HB3 . 15628 1 352 . 1 1 30 30 LYS HD2 H 1 1.672 0.020 . 2 . . . . 164 LYS HD2 . 15628 1 353 . 1 1 30 30 LYS HD3 H 1 1.672 0.020 . 2 . . . . 164 LYS HD3 . 15628 1 354 . 1 1 30 30 LYS HE2 H 1 2.985 0.020 . 2 . . . . 164 LYS HE2 . 15628 1 355 . 1 1 30 30 LYS HE3 H 1 2.985 0.020 . 2 . . . . 164 LYS HE3 . 15628 1 356 . 1 1 30 30 LYS HG2 H 1 1.499 0.020 . 2 . . . . 164 LYS HG2 . 15628 1 357 . 1 1 30 30 LYS HG3 H 1 1.352 0.020 . 2 . . . . 164 LYS HG3 . 15628 1 358 . 1 1 30 30 LYS C C 13 179.479 0.400 . 1 . . . . 164 LYS C . 15628 1 359 . 1 1 30 30 LYS CA C 13 60.047 0.400 . 1 . . . . 164 LYS CA . 15628 1 360 . 1 1 30 30 LYS CB C 13 32.038 0.400 . 1 . . . . 164 LYS CB . 15628 1 361 . 1 1 30 30 LYS CD C 13 29.297 0.400 . 1 . . . . 164 LYS CD . 15628 1 362 . 1 1 30 30 LYS CE C 13 42.168 0.400 . 1 . . . . 164 LYS CE . 15628 1 363 . 1 1 30 30 LYS CG C 13 24.800 0.400 . 1 . . . . 164 LYS CG . 15628 1 364 . 1 1 30 30 LYS N N 15 116.627 0.400 . 1 . . . . 164 LYS N . 15628 1 365 . 1 1 31 31 GLU H H 1 7.755 0.020 . 1 . . . . 165 GLU HN . 15628 1 366 . 1 1 31 31 GLU HA H 1 3.998 0.020 . 1 . . . . 165 GLU HA . 15628 1 367 . 1 1 31 31 GLU HB2 H 1 2.166 0.020 . 2 . . . . 165 GLU HB2 . 15628 1 368 . 1 1 31 31 GLU HB3 H 1 2.015 0.020 . 2 . . . . 165 GLU HB3 . 15628 1 369 . 1 1 31 31 GLU HG2 H 1 2.355 0.020 . 2 . . . . 165 GLU HG2 . 15628 1 370 . 1 1 31 31 GLU HG3 H 1 2.355 0.020 . 2 . . . . 165 GLU HG3 . 15628 1 371 . 1 1 31 31 GLU C C 13 179.031 0.400 . 1 . . . . 165 GLU C . 15628 1 372 . 1 1 31 31 GLU CA C 13 59.335 0.400 . 1 . . . . 165 GLU CA . 15628 1 373 . 1 1 31 31 GLU CB C 13 29.972 0.400 . 1 . . . . 165 GLU CB . 15628 1 374 . 1 1 31 31 GLU CG C 13 37.147 0.400 . 1 . . . . 165 GLU CG . 15628 1 375 . 1 1 31 31 GLU N N 15 120.456 0.400 . 1 . . . . 165 GLU N . 15628 1 376 . 1 1 32 32 ALA H H 1 9.060 0.020 . 1 . . . . 166 ALA HN . 15628 1 377 . 1 1 32 32 ALA HA H 1 3.871 0.020 . 1 . . . . 166 ALA HA . 15628 1 378 . 1 1 32 32 ALA HB1 H 1 1.496 0.020 . 1 . . . . 166 ALA HB . 15628 1 379 . 1 1 32 32 ALA HB2 H 1 1.496 0.020 . 1 . . . . 166 ALA HB . 15628 1 380 . 1 1 32 32 ALA HB3 H 1 1.496 0.020 . 1 . . . . 166 ALA HB . 15628 1 381 . 1 1 32 32 ALA C C 13 178.029 0.400 . 1 . . . . 166 ALA C . 15628 1 382 . 1 1 32 32 ALA CA C 13 54.997 0.400 . 1 . . . . 166 ALA CA . 15628 1 383 . 1 1 32 32 ALA CB C 13 19.727 0.400 . 1 . . . . 166 ALA CB . 15628 1 384 . 1 1 32 32 ALA N N 15 124.406 0.400 . 1 . . . . 166 ALA N . 15628 1 385 . 1 1 33 33 LYS H H 1 8.228 0.020 . 1 . . . . 167 LYS HN . 15628 1 386 . 1 1 33 33 LYS HA H 1 2.595 0.020 . 1 . . . . 167 LYS HA . 15628 1 387 . 1 1 33 33 LYS HB2 H 1 1.556 0.020 . 2 . . . . 167 LYS HB2 . 15628 1 388 . 1 1 33 33 LYS HB3 H 1 1.332 0.020 . 2 . . . . 167 LYS HB3 . 15628 1 389 . 1 1 33 33 LYS HD2 H 1 1.551 0.020 . 2 . . . . 167 LYS HD2 . 15628 1 390 . 1 1 33 33 LYS HD3 H 1 1.413 0.020 . 2 . . . . 167 LYS HD3 . 15628 1 391 . 1 1 33 33 LYS HE2 H 1 2.910 0.020 . 2 . . . . 167 LYS HE2 . 15628 1 392 . 1 1 33 33 LYS HE3 H 1 2.856 0.020 . 2 . . . . 167 LYS HE3 . 15628 1 393 . 1 1 33 33 LYS HG2 H 1 1.111 0.020 . 2 . . . . 167 LYS HG2 . 15628 1 394 . 1 1 33 33 LYS HG3 H 1 0.736 0.020 . 2 . . . . 167 LYS HG3 . 15628 1 395 . 1 1 33 33 LYS C C 13 177.938 0.400 . 1 . . . . 167 LYS C . 15628 1 396 . 1 1 33 33 LYS CA C 13 59.573 0.400 . 1 . . . . 167 LYS CA . 15628 1 397 . 1 1 33 33 LYS CB C 13 32.098 0.400 . 1 . . . . 167 LYS CB . 15628 1 398 . 1 1 33 33 LYS CD C 13 29.242 0.400 . 1 . . . . 167 LYS CD . 15628 1 399 . 1 1 33 33 LYS CE C 13 42.243 0.400 . 1 . . . . 167 LYS CE . 15628 1 400 . 1 1 33 33 LYS CG C 13 24.847 0.400 . 1 . . . . 167 LYS CG . 15628 1 401 . 1 1 33 33 LYS N N 15 119.833 0.400 . 1 . . . . 167 LYS N . 15628 1 402 . 1 1 34 34 GLN H H 1 7.392 0.020 . 1 . . . . 168 GLN HN . 15628 1 403 . 1 1 34 34 GLN HA H 1 3.943 0.020 . 1 . . . . 168 GLN HA . 15628 1 404 . 1 1 34 34 GLN HB2 H 1 2.092 0.020 . 2 . . . . 168 GLN HB2 . 15628 1 405 . 1 1 34 34 GLN HB3 H 1 1.997 0.020 . 2 . . . . 168 GLN HB3 . 15628 1 406 . 1 1 34 34 GLN HE21 H 1 7.620 0.020 . 2 . . . . 168 GLN HE21 . 15628 1 407 . 1 1 34 34 GLN HE22 H 1 6.800 0.020 . 2 . . . . 168 GLN HE22 . 15628 1 408 . 1 1 34 34 GLN HG2 H 1 2.421 0.020 . 2 . . . . 168 GLN HG2 . 15628 1 409 . 1 1 34 34 GLN HG3 H 1 2.314 0.020 . 2 . . . . 168 GLN HG3 . 15628 1 410 . 1 1 34 34 GLN C C 13 178.323 0.400 . 1 . . . . 168 GLN C . 15628 1 411 . 1 1 34 34 GLN CA C 13 58.883 0.400 . 1 . . . . 168 GLN CA . 15628 1 412 . 1 1 34 34 GLN CB C 13 28.485 0.400 . 1 . . . . 168 GLN CB . 15628 1 413 . 1 1 34 34 GLN CG C 13 33.735 0.400 . 1 . . . . 168 GLN CG . 15628 1 414 . 1 1 34 34 GLN N N 15 117.208 0.400 . 1 . . . . 168 GLN N . 15628 1 415 . 1 1 34 34 GLN NE2 N 15 112.672 0.400 . 1 . . . . 168 GLN NE2 . 15628 1 416 . 1 1 35 35 LYS H H 1 7.994 0.020 . 1 . . . . 169 LYS HN . 15628 1 417 . 1 1 35 35 LYS HA H 1 4.067 0.020 . 1 . . . . 169 LYS HA . 15628 1 418 . 1 1 35 35 LYS HB2 H 1 1.853 0.020 . 2 . . . . 169 LYS HB2 . 15628 1 419 . 1 1 35 35 LYS HB3 H 1 1.853 0.020 . 2 . . . . 169 LYS HB3 . 15628 1 420 . 1 1 35 35 LYS HD2 H 1 1.659 0.020 . 2 . . . . 169 LYS HD2 . 15628 1 421 . 1 1 35 35 LYS HD3 H 1 1.659 0.020 . 2 . . . . 169 LYS HD3 . 15628 1 422 . 1 1 35 35 LYS HE2 H 1 2.902 0.020 . 2 . . . . 169 LYS HE2 . 15628 1 423 . 1 1 35 35 LYS HE3 H 1 2.781 0.020 . 2 . . . . 169 LYS HE3 . 15628 1 424 . 1 1 35 35 LYS HG2 H 1 1.345 0.020 . 2 . . . . 169 LYS HG2 . 15628 1 425 . 1 1 35 35 LYS HG3 H 1 1.345 0.020 . 2 . . . . 169 LYS HG3 . 15628 1 426 . 1 1 35 35 LYS C C 13 178.161 0.400 . 1 . . . . 169 LYS C . 15628 1 427 . 1 1 35 35 LYS CA C 13 58.437 0.400 . 1 . . . . 169 LYS CA . 15628 1 428 . 1 1 35 35 LYS CB C 13 31.611 0.400 . 1 . . . . 169 LYS CB . 15628 1 429 . 1 1 35 35 LYS CD C 13 28.387 0.400 . 1 . . . . 169 LYS CD . 15628 1 430 . 1 1 35 35 LYS CE C 13 41.901 0.400 . 1 . . . . 169 LYS CE . 15628 1 431 . 1 1 35 35 LYS CG C 13 24.379 0.400 . 1 . . . . 169 LYS CG . 15628 1 432 . 1 1 35 35 LYS N N 15 120.898 0.400 . 1 . . . . 169 LYS N . 15628 1 433 . 1 1 36 36 ALA H H 1 8.431 0.020 . 1 . . . . 170 ALA HN . 15628 1 434 . 1 1 36 36 ALA HA H 1 3.738 0.020 . 1 . . . . 170 ALA HA . 15628 1 435 . 1 1 36 36 ALA HB1 H 1 1.231 0.020 . 1 . . . . 170 ALA HB . 15628 1 436 . 1 1 36 36 ALA HB2 H 1 1.231 0.020 . 1 . . . . 170 ALA HB . 15628 1 437 . 1 1 36 36 ALA HB3 H 1 1.231 0.020 . 1 . . . . 170 ALA HB . 15628 1 438 . 1 1 36 36 ALA C C 13 178.862 0.400 . 1 . . . . 170 ALA C . 15628 1 439 . 1 1 36 36 ALA CA C 13 55.351 0.400 . 1 . . . . 170 ALA CA . 15628 1 440 . 1 1 36 36 ALA CB C 13 18.295 0.400 . 1 . . . . 170 ALA CB . 15628 1 441 . 1 1 36 36 ALA N N 15 120.641 0.400 . 1 . . . . 170 ALA N . 15628 1 442 . 1 1 37 37 GLU H H 1 8.412 0.020 . 1 . . . . 171 GLU HN . 15628 1 443 . 1 1 37 37 GLU HA H 1 3.867 0.020 . 1 . . . . 171 GLU HA . 15628 1 444 . 1 1 37 37 GLU HB2 H 1 2.167 0.020 . 2 . . . . 171 GLU HB2 . 15628 1 445 . 1 1 37 37 GLU HB3 H 1 1.905 0.020 . 2 . . . . 171 GLU HB3 . 15628 1 446 . 1 1 37 37 GLU HG2 H 1 2.446 0.020 . 2 . . . . 171 GLU HG2 . 15628 1 447 . 1 1 37 37 GLU HG3 H 1 2.165 0.020 . 2 . . . . 171 GLU HG3 . 15628 1 448 . 1 1 37 37 GLU C C 13 179.255 0.400 . 1 . . . . 171 GLU C . 15628 1 449 . 1 1 37 37 GLU CA C 13 59.543 0.400 . 1 . . . . 171 GLU CA . 15628 1 450 . 1 1 37 37 GLU CB C 13 29.569 0.400 . 1 . . . . 171 GLU CB . 15628 1 451 . 1 1 37 37 GLU CG C 13 36.953 0.400 . 1 . . . . 171 GLU CG . 15628 1 452 . 1 1 37 37 GLU N N 15 118.224 0.400 . 1 . . . . 171 GLU N . 15628 1 453 . 1 1 38 38 GLU H H 1 8.019 0.020 . 1 . . . . 172 GLU HN . 15628 1 454 . 1 1 38 38 GLU HA H 1 3.952 0.020 . 1 . . . . 172 GLU HA . 15628 1 455 . 1 1 38 38 GLU HB2 H 1 2.243 0.020 . 2 . . . . 172 GLU HB2 . 15628 1 456 . 1 1 38 38 GLU HB3 H 1 2.093 0.020 . 2 . . . . 172 GLU HB3 . 15628 1 457 . 1 1 38 38 GLU HG2 H 1 2.446 0.020 . 2 . . . . 172 GLU HG2 . 15628 1 458 . 1 1 38 38 GLU HG3 H 1 2.235 0.020 . 2 . . . . 172 GLU HG3 . 15628 1 459 . 1 1 38 38 GLU C C 13 180.250 0.400 . 1 . . . . 172 GLU C . 15628 1 460 . 1 1 38 38 GLU CA C 13 59.627 0.400 . 1 . . . . 172 GLU CA . 15628 1 461 . 1 1 38 38 GLU CB C 13 29.368 0.400 . 1 . . . . 172 GLU CB . 15628 1 462 . 1 1 38 38 GLU CG C 13 36.322 0.400 . 1 . . . . 172 GLU CG . 15628 1 463 . 1 1 38 38 GLU N N 15 121.250 0.400 . 1 . . . . 172 GLU N . 15628 1 464 . 1 1 39 39 ILE H H 1 8.174 0.020 . 1 . . . . 173 ILE HN . 15628 1 465 . 1 1 39 39 ILE HA H 1 3.643 0.020 . 1 . . . . 173 ILE HA . 15628 1 466 . 1 1 39 39 ILE HB H 1 1.704 0.020 . 1 . . . . 173 ILE HB . 15628 1 467 . 1 1 39 39 ILE HD11 H 1 0.560 0.020 . 1 . . . . 173 ILE HD1 . 15628 1 468 . 1 1 39 39 ILE HD12 H 1 0.560 0.020 . 1 . . . . 173 ILE HD1 . 15628 1 469 . 1 1 39 39 ILE HD13 H 1 0.560 0.020 . 1 . . . . 173 ILE HD1 . 15628 1 470 . 1 1 39 39 ILE HG12 H 1 1.760 0.020 . 2 . . . . 173 ILE HG12 . 15628 1 471 . 1 1 39 39 ILE HG13 H 1 0.877 0.020 . 2 . . . . 173 ILE HG13 . 15628 1 472 . 1 1 39 39 ILE HG21 H 1 0.629 0.020 . 1 . . . . 173 ILE HG2 . 15628 1 473 . 1 1 39 39 ILE HG22 H 1 0.629 0.020 . 1 . . . . 173 ILE HG2 . 15628 1 474 . 1 1 39 39 ILE HG23 H 1 0.629 0.020 . 1 . . . . 173 ILE HG2 . 15628 1 475 . 1 1 39 39 ILE C C 13 177.568 0.400 . 1 . . . . 173 ILE C . 15628 1 476 . 1 1 39 39 ILE CA C 13 64.869 0.400 . 1 . . . . 173 ILE CA . 15628 1 477 . 1 1 39 39 ILE CB C 13 38.160 0.400 . 1 . . . . 173 ILE CB . 15628 1 478 . 1 1 39 39 ILE CD1 C 13 14.924 0.400 . 1 . . . . 173 ILE CD1 . 15628 1 479 . 1 1 39 39 ILE CG1 C 13 29.017 0.400 . 1 . . . . 173 ILE CG1 . 15628 1 480 . 1 1 39 39 ILE CG2 C 13 18.754 0.400 . 1 . . . . 173 ILE CG2 . 15628 1 481 . 1 1 39 39 ILE N N 15 121.527 0.400 . 1 . . . . 173 ILE N . 15628 1 482 . 1 1 40 40 GLN H H 1 8.860 0.020 . 1 . . . . 174 GLN HN . 15628 1 483 . 1 1 40 40 GLN HA H 1 3.533 0.020 . 1 . . . . 174 GLN HA . 15628 1 484 . 1 1 40 40 GLN HB2 H 1 2.506 0.020 . 2 . . . . 174 GLN HB2 . 15628 1 485 . 1 1 40 40 GLN HB3 H 1 1.846 0.020 . 2 . . . . 174 GLN HB3 . 15628 1 486 . 1 1 40 40 GLN HE21 H 1 7.437 0.020 . 2 . . . . 174 GLN HE21 . 15628 1 487 . 1 1 40 40 GLN HE22 H 1 6.635 0.020 . 2 . . . . 174 GLN HE22 . 15628 1 488 . 1 1 40 40 GLN HG2 H 1 2.615 0.020 . 2 . . . . 174 GLN HG2 . 15628 1 489 . 1 1 40 40 GLN HG3 H 1 2.405 0.020 . 2 . . . . 174 GLN HG3 . 15628 1 490 . 1 1 40 40 GLN C C 13 179.022 0.400 . 1 . . . . 174 GLN C . 15628 1 491 . 1 1 40 40 GLN CA C 13 61.316 0.400 . 1 . . . . 174 GLN CA . 15628 1 492 . 1 1 40 40 GLN CB C 13 26.604 0.400 . 1 . . . . 174 GLN CB . 15628 1 493 . 1 1 40 40 GLN CG C 13 33.836 0.400 . 1 . . . . 174 GLN CG . 15628 1 494 . 1 1 40 40 GLN N N 15 121.956 0.400 . 1 . . . . 174 GLN N . 15628 1 495 . 1 1 40 40 GLN NE2 N 15 110.601 0.400 . 1 . . . . 174 GLN NE2 . 15628 1 496 . 1 1 41 41 LYS H H 1 7.879 0.020 . 1 . . . . 175 LYS HN . 15628 1 497 . 1 1 41 41 LYS HA H 1 3.777 0.020 . 1 . . . . 175 LYS HA . 15628 1 498 . 1 1 41 41 LYS HB2 H 1 1.926 0.020 . 2 . . . . 175 LYS HB2 . 15628 1 499 . 1 1 41 41 LYS HB3 H 1 1.853 0.020 . 2 . . . . 175 LYS HB3 . 15628 1 500 . 1 1 41 41 LYS HD2 H 1 1.727 0.020 . 2 . . . . 175 LYS HD2 . 15628 1 501 . 1 1 41 41 LYS HD3 H 1 1.667 0.020 . 2 . . . . 175 LYS HD3 . 15628 1 502 . 1 1 41 41 LYS HE2 H 1 2.954 0.020 . 2 . . . . 175 LYS HE2 . 15628 1 503 . 1 1 41 41 LYS HE3 H 1 2.954 0.020 . 2 . . . . 175 LYS HE3 . 15628 1 504 . 1 1 41 41 LYS HG2 H 1 1.735 0.020 . 2 . . . . 175 LYS HG2 . 15628 1 505 . 1 1 41 41 LYS HG3 H 1 1.507 0.020 . 2 . . . . 175 LYS HG3 . 15628 1 506 . 1 1 41 41 LYS C C 13 178.779 0.400 . 1 . . . . 175 LYS C . 15628 1 507 . 1 1 41 41 LYS CA C 13 59.701 0.400 . 1 . . . . 175 LYS CA . 15628 1 508 . 1 1 41 41 LYS CB C 13 32.581 0.400 . 1 . . . . 175 LYS CB . 15628 1 509 . 1 1 41 41 LYS CD C 13 29.273 0.400 . 1 . . . . 175 LYS CD . 15628 1 510 . 1 1 41 41 LYS CE C 13 42.253 0.400 . 1 . . . . 175 LYS CE . 15628 1 511 . 1 1 41 41 LYS CG C 13 25.350 0.400 . 1 . . . . 175 LYS CG . 15628 1 512 . 1 1 41 41 LYS N N 15 119.012 0.400 . 1 . . . . 175 LYS N . 15628 1 513 . 1 1 42 42 GLU H H 1 7.447 0.020 . 1 . . . . 176 GLU HN . 15628 1 514 . 1 1 42 42 GLU HA H 1 4.059 0.020 . 1 . . . . 176 GLU HA . 15628 1 515 . 1 1 42 42 GLU HB2 H 1 2.084 0.020 . 2 . . . . 176 GLU HB2 . 15628 1 516 . 1 1 42 42 GLU HB3 H 1 2.025 0.020 . 2 . . . . 176 GLU HB3 . 15628 1 517 . 1 1 42 42 GLU HG2 H 1 2.201 0.020 . 2 . . . . 176 GLU HG2 . 15628 1 518 . 1 1 42 42 GLU HG3 H 1 2.201 0.020 . 2 . . . . 176 GLU HG3 . 15628 1 519 . 1 1 42 42 GLU C C 13 180.058 0.400 . 1 . . . . 176 GLU C . 15628 1 520 . 1 1 42 42 GLU CA C 13 59.456 0.400 . 1 . . . . 176 GLU CA . 15628 1 521 . 1 1 42 42 GLU CB C 13 29.923 0.400 . 1 . . . . 176 GLU CB . 15628 1 522 . 1 1 42 42 GLU CG C 13 35.481 0.400 . 1 . . . . 176 GLU CG . 15628 1 523 . 1 1 42 42 GLU N N 15 120.054 0.400 . 1 . . . . 176 GLU N . 15628 1 524 . 1 1 43 43 VAL H H 1 8.618 0.020 . 1 . . . . 177 VAL HN . 15628 1 525 . 1 1 43 43 VAL HA H 1 3.986 0.020 . 1 . . . . 177 VAL HA . 15628 1 526 . 1 1 43 43 VAL HB H 1 2.207 0.020 . 1 . . . . 177 VAL HB . 15628 1 527 . 1 1 43 43 VAL HG11 H 1 0.832 0.020 . 2 . . . . 177 VAL HG1 . 15628 1 528 . 1 1 43 43 VAL HG12 H 1 0.832 0.020 . 2 . . . . 177 VAL HG1 . 15628 1 529 . 1 1 43 43 VAL HG13 H 1 0.832 0.020 . 2 . . . . 177 VAL HG1 . 15628 1 530 . 1 1 43 43 VAL HG21 H 1 1.041 0.020 . 2 . . . . 177 VAL HG2 . 15628 1 531 . 1 1 43 43 VAL HG22 H 1 1.041 0.020 . 2 . . . . 177 VAL HG2 . 15628 1 532 . 1 1 43 43 VAL HG23 H 1 1.041 0.020 . 2 . . . . 177 VAL HG2 . 15628 1 533 . 1 1 43 43 VAL C C 13 176.459 0.400 . 1 . . . . 177 VAL C . 15628 1 534 . 1 1 43 43 VAL CA C 13 63.923 0.400 . 1 . . . . 177 VAL CA . 15628 1 535 . 1 1 43 43 VAL CB C 13 31.899 0.400 . 1 . . . . 177 VAL CB . 15628 1 536 . 1 1 43 43 VAL CG1 C 13 23.189 0.400 . 1 . . . . 177 VAL CG1 . 15628 1 537 . 1 1 43 43 VAL CG2 C 13 21.407 0.400 . 1 . . . . 177 VAL CG2 . 15628 1 538 . 1 1 43 43 VAL N N 15 114.191 0.400 . 1 . . . . 177 VAL N . 15628 1 539 . 1 1 44 44 SER H H 1 8.052 0.020 . 1 . . . . 178 SER HN . 15628 1 540 . 1 1 44 44 SER HA H 1 4.098 0.020 . 1 . . . . 178 SER HA . 15628 1 541 . 1 1 44 44 SER HB2 H 1 3.941 0.020 . 2 . . . . 178 SER HB2 . 15628 1 542 . 1 1 44 44 SER HB3 H 1 3.856 0.020 . 2 . . . . 178 SER HB3 . 15628 1 543 . 1 1 44 44 SER C C 13 176.548 0.400 . 1 . . . . 178 SER C . 15628 1 544 . 1 1 44 44 SER CA C 13 61.160 0.400 . 1 . . . . 178 SER CA . 15628 1 545 . 1 1 44 44 SER CB C 13 62.959 0.400 . 1 . . . . 178 SER CB . 15628 1 546 . 1 1 44 44 SER N N 15 114.202 0.400 . 1 . . . . 178 SER N . 15628 1 547 . 1 1 45 45 LYS H H 1 7.083 0.020 . 1 . . . . 179 LYS HN . 15628 1 548 . 1 1 45 45 LYS HA H 1 4.140 0.020 . 1 . . . . 179 LYS HA . 15628 1 549 . 1 1 45 45 LYS HB2 H 1 1.899 0.020 . 2 . . . . 179 LYS HB2 . 15628 1 550 . 1 1 45 45 LYS HB3 H 1 1.899 0.020 . 2 . . . . 179 LYS HB3 . 15628 1 551 . 1 1 45 45 LYS HD2 H 1 1.699 0.020 . 2 . . . . 179 LYS HD2 . 15628 1 552 . 1 1 45 45 LYS HD3 H 1 1.699 0.020 . 2 . . . . 179 LYS HD3 . 15628 1 553 . 1 1 45 45 LYS HE2 H 1 2.955 0.020 . 2 . . . . 179 LYS HE2 . 15628 1 554 . 1 1 45 45 LYS HE3 H 1 2.955 0.020 . 2 . . . . 179 LYS HE3 . 15628 1 555 . 1 1 45 45 LYS HG2 H 1 1.591 0.020 . 2 . . . . 179 LYS HG2 . 15628 1 556 . 1 1 45 45 LYS HG3 H 1 1.458 0.020 . 2 . . . . 179 LYS HG3 . 15628 1 557 . 1 1 45 45 LYS C C 13 177.288 0.400 . 1 . . . . 179 LYS C . 15628 1 558 . 1 1 45 45 LYS CA C 13 58.469 0.400 . 1 . . . . 179 LYS CA . 15628 1 559 . 1 1 45 45 LYS CB C 13 32.671 0.400 . 1 . . . . 179 LYS CB . 15628 1 560 . 1 1 45 45 LYS CD C 13 29.336 0.400 . 1 . . . . 179 LYS CD . 15628 1 561 . 1 1 45 45 LYS CE C 13 42.187 0.400 . 1 . . . . 179 LYS CE . 15628 1 562 . 1 1 45 45 LYS CG C 13 24.849 0.400 . 1 . . . . 179 LYS CG . 15628 1 563 . 1 1 45 45 LYS N N 15 120.935 0.400 . 1 . . . . 179 LYS N . 15628 1 564 . 1 1 46 46 ASP H H 1 7.098 0.020 . 1 . . . . 180 ASP HN . 15628 1 565 . 1 1 46 46 ASP HA H 1 4.917 0.020 . 1 . . . . 180 ASP HA . 15628 1 566 . 1 1 46 46 ASP HB2 H 1 2.852 0.020 . 2 . . . . 180 ASP HB2 . 15628 1 567 . 1 1 46 46 ASP HB3 H 1 2.561 0.020 . 2 . . . . 180 ASP HB3 . 15628 1 568 . 1 1 46 46 ASP CA C 13 51.492 0.400 . 1 . . . . 180 ASP CA . 15628 1 569 . 1 1 46 46 ASP CB C 13 40.595 0.400 . 1 . . . . 180 ASP CB . 15628 1 570 . 1 1 46 46 ASP N N 15 112.836 0.400 . 1 . . . . 180 ASP N . 15628 1 571 . 1 1 47 47 PRO HA H 1 4.681 0.020 . 1 . . . . 181 PRO HA . 15628 1 572 . 1 1 47 47 PRO HB2 H 1 2.256 0.020 . 2 . . . . 181 PRO HB2 . 15628 1 573 . 1 1 47 47 PRO HB3 H 1 2.041 0.020 . 2 . . . . 181 PRO HB3 . 15628 1 574 . 1 1 47 47 PRO HD2 H 1 3.829 0.020 . 2 . . . . 181 PRO HD2 . 15628 1 575 . 1 1 47 47 PRO HD3 H 1 3.595 0.020 . 2 . . . . 181 PRO HD3 . 15628 1 576 . 1 1 47 47 PRO HG2 H 1 2.162 0.020 . 2 . . . . 181 PRO HG2 . 15628 1 577 . 1 1 47 47 PRO HG3 H 1 2.162 0.020 . 2 . . . . 181 PRO HG3 . 15628 1 578 . 1 1 47 47 PRO C C 13 179.248 0.400 . 1 . . . . 181 PRO C . 15628 1 579 . 1 1 47 47 PRO CA C 13 64.718 0.400 . 1 . . . . 181 PRO CA . 15628 1 580 . 1 1 47 47 PRO CB C 13 32.159 0.400 . 1 . . . . 181 PRO CB . 15628 1 581 . 1 1 47 47 PRO CD C 13 50.504 0.400 . 1 . . . . 181 PRO CD . 15628 1 582 . 1 1 47 47 PRO CG C 13 27.206 0.400 . 1 . . . . 181 PRO CG . 15628 1 583 . 1 1 48 48 SER H H 1 8.248 0.020 . 1 . . . . 182 SER HN . 15628 1 584 . 1 1 48 48 SER HA H 1 4.378 0.020 . 1 . . . . 182 SER HA . 15628 1 585 . 1 1 48 48 SER HB2 H 1 4.044 0.020 . 2 . . . . 182 SER HB2 . 15628 1 586 . 1 1 48 48 SER HB3 H 1 3.979 0.020 . 2 . . . . 182 SER HB3 . 15628 1 587 . 1 1 48 48 SER C C 13 176.071 0.400 . 1 . . . . 182 SER C . 15628 1 588 . 1 1 48 48 SER CA C 13 61.377 0.400 . 1 . . . . 182 SER CA . 15628 1 589 . 1 1 48 48 SER CB C 13 62.455 0.400 . 1 . . . . 182 SER CB . 15628 1 590 . 1 1 48 48 SER N N 15 116.986 0.400 . 1 . . . . 182 SER N . 15628 1 591 . 1 1 49 49 LYS H H 1 7.842 0.020 . 1 . . . . 183 LYS HN . 15628 1 592 . 1 1 49 49 LYS HA H 1 4.482 0.020 . 1 . . . . 183 LYS HA . 15628 1 593 . 1 1 49 49 LYS HB2 H 1 2.024 0.020 . 2 . . . . 183 LYS HB2 . 15628 1 594 . 1 1 49 49 LYS HB3 H 1 1.791 0.020 . 2 . . . . 183 LYS HB3 . 15628 1 595 . 1 1 49 49 LYS HD2 H 1 1.612 0.020 . 2 . . . . 183 LYS HD2 . 15628 1 596 . 1 1 49 49 LYS HD3 H 1 1.612 0.020 . 2 . . . . 183 LYS HD3 . 15628 1 597 . 1 1 49 49 LYS HE2 H 1 2.944 0.020 . 2 . . . . 183 LYS HE2 . 15628 1 598 . 1 1 49 49 LYS HE3 H 1 2.944 0.020 . 2 . . . . 183 LYS HE3 . 15628 1 599 . 1 1 49 49 LYS HG2 H 1 1.474 0.020 . 2 . . . . 183 LYS HG2 . 15628 1 600 . 1 1 49 49 LYS HG3 H 1 1.416 0.020 . 2 . . . . 183 LYS HG3 . 15628 1 601 . 1 1 49 49 LYS C C 13 175.605 0.400 . 1 . . . . 183 LYS C . 15628 1 602 . 1 1 49 49 LYS CA C 13 55.824 0.400 . 1 . . . . 183 LYS CA . 15628 1 603 . 1 1 49 49 LYS CB C 13 32.834 0.400 . 1 . . . . 183 LYS CB . 15628 1 604 . 1 1 49 49 LYS CD C 13 29.152 0.400 . 1 . . . . 183 LYS CD . 15628 1 605 . 1 1 49 49 LYS CE C 13 42.216 0.400 . 1 . . . . 183 LYS CE . 15628 1 606 . 1 1 49 49 LYS CG C 13 25.185 0.400 . 1 . . . . 183 LYS CG . 15628 1 607 . 1 1 49 49 LYS N N 15 121.698 0.400 . 1 . . . . 183 LYS N . 15628 1 608 . 1 1 50 50 PHE H H 1 7.634 0.020 . 1 . . . . 184 PHE HN . 15628 1 609 . 1 1 50 50 PHE HA H 1 3.510 0.020 . 1 . . . . 184 PHE HA . 15628 1 610 . 1 1 50 50 PHE HB2 H 1 3.260 0.020 . 2 . . . . 184 PHE HB2 . 15628 1 611 . 1 1 50 50 PHE HB3 H 1 3.151 0.020 . 2 . . . . 184 PHE HB3 . 15628 1 612 . 1 1 50 50 PHE HD1 H 1 6.947 0.020 . 3 . . . . 184 PHE HD1 . 15628 1 613 . 1 1 50 50 PHE HD2 H 1 6.947 0.020 . 3 . . . . 184 PHE HD2 . 15628 1 614 . 1 1 50 50 PHE HE1 H 1 6.943 0.020 . 3 . . . . 184 PHE HE1 . 15628 1 615 . 1 1 50 50 PHE HE2 H 1 6.943 0.020 . 3 . . . . 184 PHE HE2 . 15628 1 616 . 1 1 50 50 PHE HZ H 1 6.932 0.020 . 1 . . . . 184 PHE HZ . 15628 1 617 . 1 1 50 50 PHE C C 13 176.214 0.400 . 1 . . . . 184 PHE C . 15628 1 618 . 1 1 50 50 PHE CA C 13 63.276 0.400 . 1 . . . . 184 PHE CA . 15628 1 619 . 1 1 50 50 PHE CB C 13 40.948 0.400 . 1 . . . . 184 PHE CB . 15628 1 620 . 1 1 50 50 PHE CD1 C 13 131.902 0.400 . 1 . . . . 184 PHE CD1 . 15628 1 621 . 1 1 50 50 PHE CE1 C 13 131.902 0.400 . 1 . . . . 184 PHE CE1 . 15628 1 622 . 1 1 50 50 PHE CZ C 13 130.577 0.400 . 1 . . . . 184 PHE CZ . 15628 1 623 . 1 1 50 50 PHE N N 15 120.120 0.400 . 1 . . . . 184 PHE N . 15628 1 624 . 1 1 51 51 GLY H H 1 8.855 0.020 . 1 . . . . 185 GLY HN . 15628 1 625 . 1 1 51 51 GLY HA2 H 1 3.993 0.020 . 2 . . . . 185 GLY HA1 . 15628 1 626 . 1 1 51 51 GLY HA3 H 1 3.958 0.020 . 2 . . . . 185 GLY HA2 . 15628 1 627 . 1 1 51 51 GLY C C 13 175.169 0.400 . 1 . . . . 185 GLY C . 15628 1 628 . 1 1 51 51 GLY CA C 13 47.475 0.400 . 1 . . . . 185 GLY CA . 15628 1 629 . 1 1 51 51 GLY N N 15 105.550 0.400 . 1 . . . . 185 GLY N . 15628 1 630 . 1 1 52 52 GLU H H 1 7.917 0.020 . 1 . . . . 186 GLU HN . 15628 1 631 . 1 1 52 52 GLU HA H 1 4.006 0.020 . 1 . . . . 186 GLU HA . 15628 1 632 . 1 1 52 52 GLU HB2 H 1 2.075 0.020 . 2 . . . . 186 GLU HB2 . 15628 1 633 . 1 1 52 52 GLU HB3 H 1 2.011 0.020 . 2 . . . . 186 GLU HB3 . 15628 1 634 . 1 1 52 52 GLU HG2 H 1 2.290 0.020 . 2 . . . . 186 GLU HG2 . 15628 1 635 . 1 1 52 52 GLU HG3 H 1 2.233 0.020 . 2 . . . . 186 GLU HG3 . 15628 1 636 . 1 1 52 52 GLU C C 13 179.499 0.400 . 1 . . . . 186 GLU C . 15628 1 637 . 1 1 52 52 GLU CA C 13 58.904 0.400 . 1 . . . . 186 GLU CA . 15628 1 638 . 1 1 52 52 GLU CB C 13 29.700 0.400 . 1 . . . . 186 GLU CB . 15628 1 639 . 1 1 52 52 GLU CG C 13 36.346 0.400 . 1 . . . . 186 GLU CG . 15628 1 640 . 1 1 52 52 GLU N N 15 121.929 0.400 . 1 . . . . 186 GLU N . 15628 1 641 . 1 1 53 53 ILE H H 1 7.936 0.020 . 1 . . . . 187 ILE HN . 15628 1 642 . 1 1 53 53 ILE HA H 1 3.648 0.020 . 1 . . . . 187 ILE HA . 15628 1 643 . 1 1 53 53 ILE HB H 1 1.478 0.020 . 1 . . . . 187 ILE HB . 15628 1 644 . 1 1 53 53 ILE HD11 H 1 0.636 0.020 . 1 . . . . 187 ILE HD1 . 15628 1 645 . 1 1 53 53 ILE HD12 H 1 0.636 0.020 . 1 . . . . 187 ILE HD1 . 15628 1 646 . 1 1 53 53 ILE HD13 H 1 0.636 0.020 . 1 . . . . 187 ILE HD1 . 15628 1 647 . 1 1 53 53 ILE HG12 H 1 1.530 0.020 . 2 . . . . 187 ILE HG12 . 15628 1 648 . 1 1 53 53 ILE HG13 H 1 1.132 0.020 . 2 . . . . 187 ILE HG13 . 15628 1 649 . 1 1 53 53 ILE HG21 H 1 0.643 0.020 . 1 . . . . 187 ILE HG2 . 15628 1 650 . 1 1 53 53 ILE HG22 H 1 0.643 0.020 . 1 . . . . 187 ILE HG2 . 15628 1 651 . 1 1 53 53 ILE HG23 H 1 0.643 0.020 . 1 . . . . 187 ILE HG2 . 15628 1 652 . 1 1 53 53 ILE C C 13 177.886 0.400 . 1 . . . . 187 ILE C . 15628 1 653 . 1 1 53 53 ILE CA C 13 64.366 0.400 . 1 . . . . 187 ILE CA . 15628 1 654 . 1 1 53 53 ILE CB C 13 36.478 0.400 . 1 . . . . 187 ILE CB . 15628 1 655 . 1 1 53 53 ILE CD1 C 13 12.343 0.400 . 1 . . . . 187 ILE CD1 . 15628 1 656 . 1 1 53 53 ILE CG1 C 13 29.148 0.400 . 1 . . . . 187 ILE CG1 . 15628 1 657 . 1 1 53 53 ILE CG2 C 13 17.866 0.400 . 1 . . . . 187 ILE CG2 . 15628 1 658 . 1 1 53 53 ILE N N 15 120.991 0.400 . 1 . . . . 187 ILE N . 15628 1 659 . 1 1 54 54 ALA H H 1 8.895 0.020 . 1 . . . . 188 ALA HN . 15628 1 660 . 1 1 54 54 ALA HA H 1 3.629 0.020 . 1 . . . . 188 ALA HA . 15628 1 661 . 1 1 54 54 ALA HB1 H 1 1.220 0.020 . 1 . . . . 188 ALA HB . 15628 1 662 . 1 1 54 54 ALA HB2 H 1 1.220 0.020 . 1 . . . . 188 ALA HB . 15628 1 663 . 1 1 54 54 ALA HB3 H 1 1.220 0.020 . 1 . . . . 188 ALA HB . 15628 1 664 . 1 1 54 54 ALA C C 13 179.437 0.400 . 1 . . . . 188 ALA C . 15628 1 665 . 1 1 54 54 ALA CA C 13 55.974 0.400 . 1 . . . . 188 ALA CA . 15628 1 666 . 1 1 54 54 ALA CB C 13 17.591 0.400 . 1 . . . . 188 ALA CB . 15628 1 667 . 1 1 54 54 ALA N N 15 125.308 0.400 . 1 . . . . 188 ALA N . 15628 1 668 . 1 1 55 55 LYS H H 1 8.049 0.020 . 1 . . . . 189 LYS HN . 15628 1 669 . 1 1 55 55 LYS HA H 1 4.106 0.020 . 1 . . . . 189 LYS HA . 15628 1 670 . 1 1 55 55 LYS HB2 H 1 2.016 0.020 . 2 . . . . 189 LYS HB2 . 15628 1 671 . 1 1 55 55 LYS HB3 H 1 1.817 0.020 . 2 . . . . 189 LYS HB3 . 15628 1 672 . 1 1 55 55 LYS HD2 H 1 1.749 0.020 . 2 . . . . 189 LYS HD2 . 15628 1 673 . 1 1 55 55 LYS HD3 H 1 1.749 0.020 . 2 . . . . 189 LYS HD3 . 15628 1 674 . 1 1 55 55 LYS HE2 H 1 2.986 0.020 . 2 . . . . 189 LYS HE2 . 15628 1 675 . 1 1 55 55 LYS HE3 H 1 2.986 0.020 . 2 . . . . 189 LYS HE3 . 15628 1 676 . 1 1 55 55 LYS HG2 H 1 1.594 0.020 . 2 . . . . 189 LYS HG2 . 15628 1 677 . 1 1 55 55 LYS HG3 H 1 1.512 0.020 . 2 . . . . 189 LYS HG3 . 15628 1 678 . 1 1 55 55 LYS C C 13 178.995 0.400 . 1 . . . . 189 LYS C . 15628 1 679 . 1 1 55 55 LYS CA C 13 59.312 0.400 . 1 . . . . 189 LYS CA . 15628 1 680 . 1 1 55 55 LYS CB C 13 32.647 0.400 . 1 . . . . 189 LYS CB . 15628 1 681 . 1 1 55 55 LYS CD C 13 29.700 0.400 . 1 . . . . 189 LYS CD . 15628 1 682 . 1 1 55 55 LYS CE C 13 42.143 0.400 . 1 . . . . 189 LYS CE . 15628 1 683 . 1 1 55 55 LYS CG C 13 24.848 0.400 . 1 . . . . 189 LYS CG . 15628 1 684 . 1 1 55 55 LYS N N 15 116.835 0.400 . 1 . . . . 189 LYS N . 15628 1 685 . 1 1 56 56 LYS H H 1 7.215 0.020 . 1 . . . . 190 LYS HN . 15628 1 686 . 1 1 56 56 LYS HA H 1 4.172 0.020 . 1 . . . . 190 LYS HA . 15628 1 687 . 1 1 56 56 LYS HB2 H 1 1.849 0.020 . 2 . . . . 190 LYS HB2 . 15628 1 688 . 1 1 56 56 LYS HB3 H 1 1.849 0.020 . 2 . . . . 190 LYS HB3 . 15628 1 689 . 1 1 56 56 LYS HD2 H 1 1.634 0.020 . 2 . . . . 190 LYS HD2 . 15628 1 690 . 1 1 56 56 LYS HD3 H 1 1.634 0.020 . 2 . . . . 190 LYS HD3 . 15628 1 691 . 1 1 56 56 LYS HE2 H 1 2.932 0.020 . 2 . . . . 190 LYS HE2 . 15628 1 692 . 1 1 56 56 LYS HE3 H 1 2.932 0.020 . 2 . . . . 190 LYS HE3 . 15628 1 693 . 1 1 56 56 LYS HG2 H 1 1.497 0.020 . 2 . . . . 190 LYS HG2 . 15628 1 694 . 1 1 56 56 LYS HG3 H 1 1.357 0.020 . 2 . . . . 190 LYS HG3 . 15628 1 695 . 1 1 56 56 LYS C C 13 177.897 0.400 . 1 . . . . 190 LYS C . 15628 1 696 . 1 1 56 56 LYS CA C 13 58.418 0.400 . 1 . . . . 190 LYS CA . 15628 1 697 . 1 1 56 56 LYS CB C 13 34.652 0.400 . 1 . . . . 190 LYS CB . 15628 1 698 . 1 1 56 56 LYS CD C 13 29.364 0.400 . 1 . . . . 190 LYS CD . 15628 1 699 . 1 1 56 56 LYS CE C 13 42.124 0.400 . 1 . . . . 190 LYS CE . 15628 1 700 . 1 1 56 56 LYS CG C 13 25.230 0.400 . 1 . . . . 190 LYS CG . 15628 1 701 . 1 1 56 56 LYS N N 15 117.170 0.400 . 1 . . . . 190 LYS N . 15628 1 702 . 1 1 57 57 GLU H H 1 8.572 0.020 . 1 . . . . 191 GLU HN . 15628 1 703 . 1 1 57 57 GLU HA H 1 4.643 0.020 . 1 . . . . 191 GLU HA . 15628 1 704 . 1 1 57 57 GLU HB2 H 1 1.900 0.020 . 2 . . . . 191 GLU HB2 . 15628 1 705 . 1 1 57 57 GLU HB3 H 1 1.415 0.020 . 2 . . . . 191 GLU HB3 . 15628 1 706 . 1 1 57 57 GLU HG2 H 1 2.150 0.020 . 2 . . . . 191 GLU HG2 . 15628 1 707 . 1 1 57 57 GLU HG3 H 1 2.054 0.020 . 2 . . . . 191 GLU HG3 . 15628 1 708 . 1 1 57 57 GLU C C 13 177.903 0.400 . 1 . . . . 191 GLU C . 15628 1 709 . 1 1 57 57 GLU CA C 13 55.708 0.400 . 1 . . . . 191 GLU CA . 15628 1 710 . 1 1 57 57 GLU CB C 13 32.460 0.400 . 1 . . . . 191 GLU CB . 15628 1 711 . 1 1 57 57 GLU CG C 13 34.404 0.400 . 1 . . . . 191 GLU CG . 15628 1 712 . 1 1 57 57 GLU N N 15 113.316 0.400 . 1 . . . . 191 GLU N . 15628 1 713 . 1 1 58 58 SER H H 1 8.550 0.020 . 1 . . . . 192 SER HN . 15628 1 714 . 1 1 58 58 SER HA H 1 4.149 0.020 . 1 . . . . 192 SER HA . 15628 1 715 . 1 1 58 58 SER HB2 H 1 4.175 0.020 . 2 . . . . 192 SER HB2 . 15628 1 716 . 1 1 58 58 SER HB3 H 1 3.728 0.020 . 2 . . . . 192 SER HB3 . 15628 1 717 . 1 1 58 58 SER C C 13 176.161 0.400 . 1 . . . . 192 SER C . 15628 1 718 . 1 1 58 58 SER CA C 13 58.403 0.400 . 1 . . . . 192 SER CA . 15628 1 719 . 1 1 58 58 SER CB C 13 64.392 0.400 . 1 . . . . 192 SER CB . 15628 1 720 . 1 1 58 58 SER N N 15 109.861 0.400 . 1 . . . . 192 SER N . 15628 1 721 . 1 1 59 59 MET H H 1 9.533 0.020 . 1 . . . . 193 MET HN . 15628 1 722 . 1 1 59 59 MET HA H 1 4.457 0.020 . 1 . . . . 193 MET HA . 15628 1 723 . 1 1 59 59 MET HB2 H 1 2.487 0.020 . 2 . . . . 193 MET HB2 . 15628 1 724 . 1 1 59 59 MET HB3 H 1 1.558 0.020 . 2 . . . . 193 MET HB3 . 15628 1 725 . 1 1 59 59 MET HE1 H 1 2.289 0.020 . 1 . . . . 193 MET HE . 15628 1 726 . 1 1 59 59 MET HE2 H 1 2.289 0.020 . 1 . . . . 193 MET HE . 15628 1 727 . 1 1 59 59 MET HE3 H 1 2.289 0.020 . 1 . . . . 193 MET HE . 15628 1 728 . 1 1 59 59 MET HG2 H 1 2.979 0.020 . 2 . . . . 193 MET HG2 . 15628 1 729 . 1 1 59 59 MET HG3 H 1 2.763 0.020 . 2 . . . . 193 MET HG3 . 15628 1 730 . 1 1 59 59 MET C C 13 175.204 0.400 . 1 . . . . 193 MET C . 15628 1 731 . 1 1 59 59 MET CA C 13 55.781 0.400 . 1 . . . . 193 MET CA . 15628 1 732 . 1 1 59 59 MET CB C 13 32.855 0.400 . 1 . . . . 193 MET CB . 15628 1 733 . 1 1 59 59 MET CE C 13 18.156 0.400 . 1 . . . . 193 MET CE . 15628 1 734 . 1 1 59 59 MET CG C 13 33.166 0.400 . 1 . . . . 193 MET CG . 15628 1 735 . 1 1 59 59 MET N N 15 124.493 0.400 . 1 . . . . 193 MET N . 15628 1 736 . 1 1 60 60 ASP H H 1 7.514 0.020 . 1 . . . . 194 ASP HN . 15628 1 737 . 1 1 60 60 ASP HA H 1 4.886 0.020 . 1 . . . . 194 ASP HA . 15628 1 738 . 1 1 60 60 ASP HB2 H 1 2.650 0.020 . 2 . . . . 194 ASP HB2 . 15628 1 739 . 1 1 60 60 ASP HB3 H 1 2.418 0.020 . 2 . . . . 194 ASP HB3 . 15628 1 740 . 1 1 60 60 ASP C C 13 175.517 0.400 . 1 . . . . 194 ASP C . 15628 1 741 . 1 1 60 60 ASP CA C 13 52.286 0.400 . 1 . . . . 194 ASP CA . 15628 1 742 . 1 1 60 60 ASP CB C 13 40.222 0.400 . 1 . . . . 194 ASP CB . 15628 1 743 . 1 1 60 60 ASP N N 15 117.785 0.400 . 1 . . . . 194 ASP N . 15628 1 744 . 1 1 61 61 THR H H 1 8.118 0.020 . 1 . . . . 195 THR HN . 15628 1 745 . 1 1 61 61 THR HA H 1 3.918 0.020 . 1 . . . . 195 THR HA . 15628 1 746 . 1 1 61 61 THR HB H 1 4.174 0.020 . 1 . . . . 195 THR HB . 15628 1 747 . 1 1 61 61 THR HG21 H 1 1.272 0.020 . 1 . . . . 195 THR HG2 . 15628 1 748 . 1 1 61 61 THR HG22 H 1 1.272 0.020 . 1 . . . . 195 THR HG2 . 15628 1 749 . 1 1 61 61 THR HG23 H 1 1.272 0.020 . 1 . . . . 195 THR HG2 . 15628 1 750 . 1 1 61 61 THR C C 13 176.269 0.400 . 1 . . . . 195 THR C . 15628 1 751 . 1 1 61 61 THR CA C 13 65.469 0.400 . 1 . . . . 195 THR CA . 15628 1 752 . 1 1 61 61 THR CB C 13 68.741 0.400 . 1 . . . . 195 THR CB . 15628 1 753 . 1 1 61 61 THR CG2 C 13 22.040 0.400 . 1 . . . . 195 THR CG2 . 15628 1 754 . 1 1 61 61 THR N N 15 120.765 0.400 . 1 . . . . 195 THR N . 15628 1 755 . 1 1 62 62 GLY H H 1 8.399 0.020 . 1 . . . . 196 GLY HN . 15628 1 756 . 1 1 62 62 GLY HA2 H 1 3.932 0.020 . 2 . . . . 196 GLY HA1 . 15628 1 757 . 1 1 62 62 GLY HA3 H 1 3.900 0.020 . 2 . . . . 196 GLY HA2 . 15628 1 758 . 1 1 62 62 GLY C C 13 174.948 0.400 . 1 . . . . 196 GLY C . 15628 1 759 . 1 1 62 62 GLY CA C 13 46.768 0.400 . 1 . . . . 196 GLY CA . 15628 1 760 . 1 1 62 62 GLY N N 15 108.183 0.400 . 1 . . . . 196 GLY N . 15628 1 761 . 1 1 63 63 SER H H 1 7.265 0.020 . 1 . . . . 197 SER HN . 15628 1 762 . 1 1 63 63 SER HA H 1 4.554 0.020 . 1 . . . . 197 SER HA . 15628 1 763 . 1 1 63 63 SER HB2 H 1 3.815 0.020 . 2 . . . . 197 SER HB2 . 15628 1 764 . 1 1 63 63 SER HB3 H 1 3.729 0.020 . 2 . . . . 197 SER HB3 . 15628 1 765 . 1 1 63 63 SER C C 13 177.630 0.400 . 1 . . . . 197 SER C . 15628 1 766 . 1 1 63 63 SER CA C 13 59.550 0.400 . 1 . . . . 197 SER CA . 15628 1 767 . 1 1 63 63 SER CB C 13 65.504 0.400 . 1 . . . . 197 SER CB . 15628 1 768 . 1 1 63 63 SER N N 15 111.815 0.400 . 1 . . . . 197 SER N . 15628 1 769 . 1 1 64 64 ALA H H 1 8.675 0.020 . 1 . . . . 198 ALA HN . 15628 1 770 . 1 1 64 64 ALA HA H 1 3.801 0.020 . 1 . . . . 198 ALA HA . 15628 1 771 . 1 1 64 64 ALA HB1 H 1 1.406 0.020 . 1 . . . . 198 ALA HB . 15628 1 772 . 1 1 64 64 ALA HB2 H 1 1.406 0.020 . 1 . . . . 198 ALA HB . 15628 1 773 . 1 1 64 64 ALA HB3 H 1 1.406 0.020 . 1 . . . . 198 ALA HB . 15628 1 774 . 1 1 64 64 ALA C C 13 178.492 0.400 . 1 . . . . 198 ALA C . 15628 1 775 . 1 1 64 64 ALA CA C 13 56.794 0.400 . 1 . . . . 198 ALA CA . 15628 1 776 . 1 1 64 64 ALA CB C 13 18.951 0.400 . 1 . . . . 198 ALA CB . 15628 1 777 . 1 1 64 64 ALA N N 15 131.710 0.400 . 1 . . . . 198 ALA N . 15628 1 778 . 1 1 65 65 LYS H H 1 7.666 0.020 . 1 . . . . 199 LYS HN . 15628 1 779 . 1 1 65 65 LYS HA H 1 4.175 0.020 . 1 . . . . 199 LYS HA . 15628 1 780 . 1 1 65 65 LYS HB2 H 1 1.937 0.020 . 2 . . . . 199 LYS HB2 . 15628 1 781 . 1 1 65 65 LYS HB3 H 1 1.844 0.020 . 2 . . . . 199 LYS HB3 . 15628 1 782 . 1 1 65 65 LYS HD2 H 1 1.694 0.020 . 2 . . . . 199 LYS HD2 . 15628 1 783 . 1 1 65 65 LYS HD3 H 1 1.694 0.020 . 2 . . . . 199 LYS HD3 . 15628 1 784 . 1 1 65 65 LYS HE2 H 1 2.988 0.020 . 2 . . . . 199 LYS HE2 . 15628 1 785 . 1 1 65 65 LYS HE3 H 1 2.988 0.020 . 2 . . . . 199 LYS HE3 . 15628 1 786 . 1 1 65 65 LYS HG2 H 1 1.525 0.020 . 2 . . . . 199 LYS HG2 . 15628 1 787 . 1 1 65 65 LYS HG3 H 1 1.525 0.020 . 2 . . . . 199 LYS HG3 . 15628 1 788 . 1 1 65 65 LYS C C 13 177.159 0.400 . 1 . . . . 199 LYS C . 15628 1 789 . 1 1 65 65 LYS CA C 13 57.735 0.400 . 1 . . . . 199 LYS CA . 15628 1 790 . 1 1 65 65 LYS CB C 13 31.948 0.400 . 1 . . . . 199 LYS CB . 15628 1 791 . 1 1 65 65 LYS CD C 13 29.277 0.400 . 1 . . . . 199 LYS CD . 15628 1 792 . 1 1 65 65 LYS CE C 13 42.239 0.400 . 1 . . . . 199 LYS CE . 15628 1 793 . 1 1 65 65 LYS CG C 13 25.070 0.400 . 1 . . . . 199 LYS CG . 15628 1 794 . 1 1 65 65 LYS N N 15 111.375 0.400 . 1 . . . . 199 LYS N . 15628 1 795 . 1 1 66 66 LYS H H 1 7.545 0.020 . 1 . . . . 200 LYS HN . 15628 1 796 . 1 1 66 66 LYS HA H 1 4.612 0.020 . 1 . . . . 200 LYS HA . 15628 1 797 . 1 1 66 66 LYS HB2 H 1 2.135 0.020 . 2 . . . . 200 LYS HB2 . 15628 1 798 . 1 1 66 66 LYS HB3 H 1 1.736 0.020 . 2 . . . . 200 LYS HB3 . 15628 1 799 . 1 1 66 66 LYS HD2 H 1 1.696 0.020 . 2 . . . . 200 LYS HD2 . 15628 1 800 . 1 1 66 66 LYS HD3 H 1 1.696 0.020 . 2 . . . . 200 LYS HD3 . 15628 1 801 . 1 1 66 66 LYS HE2 H 1 2.991 0.020 . 2 . . . . 200 LYS HE2 . 15628 1 802 . 1 1 66 66 LYS HE3 H 1 2.991 0.020 . 2 . . . . 200 LYS HE3 . 15628 1 803 . 1 1 66 66 LYS HG2 H 1 1.484 0.020 . 2 . . . . 200 LYS HG2 . 15628 1 804 . 1 1 66 66 LYS HG3 H 1 1.385 0.020 . 2 . . . . 200 LYS HG3 . 15628 1 805 . 1 1 66 66 LYS C C 13 175.609 0.400 . 1 . . . . 200 LYS C . 15628 1 806 . 1 1 66 66 LYS CA C 13 54.468 0.400 . 1 . . . . 200 LYS CA . 15628 1 807 . 1 1 66 66 LYS CB C 13 31.525 0.400 . 1 . . . . 200 LYS CB . 15628 1 808 . 1 1 66 66 LYS CD C 13 29.314 0.400 . 1 . . . . 200 LYS CD . 15628 1 809 . 1 1 66 66 LYS CE C 13 42.204 0.400 . 1 . . . . 200 LYS CE . 15628 1 810 . 1 1 66 66 LYS CG C 13 24.653 0.400 . 1 . . . . 200 LYS CG . 15628 1 811 . 1 1 66 66 LYS N N 15 121.421 0.400 . 1 . . . . 200 LYS N . 15628 1 812 . 1 1 67 67 ASP H H 1 7.630 0.020 . 1 . . . . 201 ASP HN . 15628 1 813 . 1 1 67 67 ASP HA H 1 4.306 0.020 . 1 . . . . 201 ASP HA . 15628 1 814 . 1 1 67 67 ASP HB2 H 1 3.045 0.020 . 2 . . . . 201 ASP HB2 . 15628 1 815 . 1 1 67 67 ASP HB3 H 1 2.936 0.020 . 2 . . . . 201 ASP HB3 . 15628 1 816 . 1 1 67 67 ASP C C 13 175.025 0.400 . 1 . . . . 201 ASP C . 15628 1 817 . 1 1 67 67 ASP CA C 13 56.400 0.400 . 1 . . . . 201 ASP CA . 15628 1 818 . 1 1 67 67 ASP CB C 13 38.315 0.400 . 1 . . . . 201 ASP CB . 15628 1 819 . 1 1 67 67 ASP N N 15 116.216 0.400 . 1 . . . . 201 ASP N . 15628 1 820 . 1 1 68 68 GLY H H 1 8.368 0.020 . 1 . . . . 202 GLY HN . 15628 1 821 . 1 1 68 68 GLY HA2 H 1 4.316 0.020 . 2 . . . . 202 GLY HA1 . 15628 1 822 . 1 1 68 68 GLY HA3 H 1 3.731 0.020 . 2 . . . . 202 GLY HA2 . 15628 1 823 . 1 1 68 68 GLY C C 13 174.139 0.400 . 1 . . . . 202 GLY C . 15628 1 824 . 1 1 68 68 GLY CA C 13 45.514 0.400 . 1 . . . . 202 GLY CA . 15628 1 825 . 1 1 68 68 GLY N N 15 105.095 0.400 . 1 . . . . 202 GLY N . 15628 1 826 . 1 1 69 69 GLU H H 1 7.534 0.020 . 1 . . . . 203 GLU HN . 15628 1 827 . 1 1 69 69 GLU HA H 1 4.479 0.020 . 1 . . . . 203 GLU HA . 15628 1 828 . 1 1 69 69 GLU HB2 H 1 2.144 0.020 . 2 . . . . 203 GLU HB2 . 15628 1 829 . 1 1 69 69 GLU HB3 H 1 2.047 0.020 . 2 . . . . 203 GLU HB3 . 15628 1 830 . 1 1 69 69 GLU HG2 H 1 2.545 0.020 . 2 . . . . 203 GLU HG2 . 15628 1 831 . 1 1 69 69 GLU HG3 H 1 2.227 0.020 . 2 . . . . 203 GLU HG3 . 15628 1 832 . 1 1 69 69 GLU C C 13 176.961 0.400 . 1 . . . . 203 GLU C . 15628 1 833 . 1 1 69 69 GLU CA C 13 58.549 0.400 . 1 . . . . 203 GLU CA . 15628 1 834 . 1 1 69 69 GLU CB C 13 30.998 0.400 . 1 . . . . 203 GLU CB . 15628 1 835 . 1 1 69 69 GLU CG C 13 36.769 0.400 . 1 . . . . 203 GLU CG . 15628 1 836 . 1 1 69 69 GLU N N 15 120.426 0.400 . 1 . . . . 203 GLU N . 15628 1 837 . 1 1 70 70 LEU H H 1 8.962 0.020 . 1 . . . . 204 LEU HN . 15628 1 838 . 1 1 70 70 LEU HA H 1 4.438 0.020 . 1 . . . . 204 LEU HA . 15628 1 839 . 1 1 70 70 LEU HB2 H 1 1.593 0.020 . 2 . . . . 204 LEU HB2 . 15628 1 840 . 1 1 70 70 LEU HB3 H 1 1.232 0.020 . 2 . . . . 204 LEU HB3 . 15628 1 841 . 1 1 70 70 LEU HD11 H 1 0.284 0.020 . 2 . . . . 204 LEU HD1 . 15628 1 842 . 1 1 70 70 LEU HD12 H 1 0.284 0.020 . 2 . . . . 204 LEU HD1 . 15628 1 843 . 1 1 70 70 LEU HD13 H 1 0.284 0.020 . 2 . . . . 204 LEU HD1 . 15628 1 844 . 1 1 70 70 LEU HD21 H 1 0.615 0.020 . 2 . . . . 204 LEU HD2 . 15628 1 845 . 1 1 70 70 LEU HD22 H 1 0.615 0.020 . 2 . . . . 204 LEU HD2 . 15628 1 846 . 1 1 70 70 LEU HD23 H 1 0.615 0.020 . 2 . . . . 204 LEU HD2 . 15628 1 847 . 1 1 70 70 LEU HG H 1 1.620 0.020 . 1 . . . . 204 LEU HG . 15628 1 848 . 1 1 70 70 LEU C C 13 178.648 0.400 . 1 . . . . 204 LEU C . 15628 1 849 . 1 1 70 70 LEU CA C 13 53.977 0.400 . 1 . . . . 204 LEU CA . 15628 1 850 . 1 1 70 70 LEU CB C 13 43.612 0.400 . 1 . . . . 204 LEU CB . 15628 1 851 . 1 1 70 70 LEU CD1 C 13 25.062 0.400 . 1 . . . . 204 LEU CD1 . 15628 1 852 . 1 1 70 70 LEU CD2 C 13 22.236 0.400 . 1 . . . . 204 LEU CD2 . 15628 1 853 . 1 1 70 70 LEU CG C 13 26.184 0.400 . 1 . . . . 204 LEU CG . 15628 1 854 . 1 1 70 70 LEU N N 15 122.066 0.400 . 1 . . . . 204 LEU N . 15628 1 855 . 1 1 71 71 GLY H H 1 8.104 0.020 . 1 . . . . 205 GLY HN . 15628 1 856 . 1 1 71 71 GLY HA2 H 1 4.165 0.020 . 2 . . . . 205 GLY HA1 . 15628 1 857 . 1 1 71 71 GLY HA3 H 1 3.552 0.020 . 2 . . . . 205 GLY HA2 . 15628 1 858 . 1 1 71 71 GLY C C 13 173.098 0.400 . 1 . . . . 205 GLY C . 15628 1 859 . 1 1 71 71 GLY CA C 13 44.723 0.400 . 1 . . . . 205 GLY CA . 15628 1 860 . 1 1 71 71 GLY N N 15 110.168 0.400 . 1 . . . . 205 GLY N . 15628 1 861 . 1 1 72 72 TYR H H 1 8.457 0.020 . 1 . . . . 206 TYR HN . 15628 1 862 . 1 1 72 72 TYR HA H 1 4.184 0.020 . 1 . . . . 206 TYR HA . 15628 1 863 . 1 1 72 72 TYR HB2 H 1 2.800 0.020 . 2 . . . . 206 TYR HB2 . 15628 1 864 . 1 1 72 72 TYR HB3 H 1 2.542 0.020 . 2 . . . . 206 TYR HB3 . 15628 1 865 . 1 1 72 72 TYR HD1 H 1 6.982 0.020 . 3 . . . . 206 TYR HD1 . 15628 1 866 . 1 1 72 72 TYR HD2 H 1 6.982 0.020 . 3 . . . . 206 TYR HD2 . 15628 1 867 . 1 1 72 72 TYR HE1 H 1 6.798 0.020 . 3 . . . . 206 TYR HE1 . 15628 1 868 . 1 1 72 72 TYR HE2 H 1 6.798 0.020 . 3 . . . . 206 TYR HE2 . 15628 1 869 . 1 1 72 72 TYR C C 13 175.975 0.400 . 1 . . . . 206 TYR C . 15628 1 870 . 1 1 72 72 TYR CA C 13 59.722 0.400 . 1 . . . . 206 TYR CA . 15628 1 871 . 1 1 72 72 TYR CB C 13 38.378 0.400 . 1 . . . . 206 TYR CB . 15628 1 872 . 1 1 72 72 TYR CD1 C 13 132.964 0.400 . 1 . . . . 206 TYR CD1 . 15628 1 873 . 1 1 72 72 TYR CE1 C 13 118.297 0.400 . 1 . . . . 206 TYR CE1 . 15628 1 874 . 1 1 72 72 TYR N N 15 120.171 0.400 . 1 . . . . 206 TYR N . 15628 1 875 . 1 1 73 73 VAL H H 1 8.782 0.020 . 1 . . . . 207 VAL HN . 15628 1 876 . 1 1 73 73 VAL HA H 1 4.056 0.020 . 1 . . . . 207 VAL HA . 15628 1 877 . 1 1 73 73 VAL HB H 1 2.018 0.020 . 1 . . . . 207 VAL HB . 15628 1 878 . 1 1 73 73 VAL HG11 H 1 0.912 0.020 . 2 . . . . 207 VAL HG1 . 15628 1 879 . 1 1 73 73 VAL HG12 H 1 0.912 0.020 . 2 . . . . 207 VAL HG1 . 15628 1 880 . 1 1 73 73 VAL HG13 H 1 0.912 0.020 . 2 . . . . 207 VAL HG1 . 15628 1 881 . 1 1 73 73 VAL HG21 H 1 0.837 0.020 . 2 . . . . 207 VAL HG2 . 15628 1 882 . 1 1 73 73 VAL HG22 H 1 0.837 0.020 . 2 . . . . 207 VAL HG2 . 15628 1 883 . 1 1 73 73 VAL HG23 H 1 0.837 0.020 . 2 . . . . 207 VAL HG2 . 15628 1 884 . 1 1 73 73 VAL C C 13 174.901 0.400 . 1 . . . . 207 VAL C . 15628 1 885 . 1 1 73 73 VAL CA C 13 62.202 0.400 . 1 . . . . 207 VAL CA . 15628 1 886 . 1 1 73 73 VAL CB C 13 33.071 0.400 . 1 . . . . 207 VAL CB . 15628 1 887 . 1 1 73 73 VAL CG1 C 13 22.295 0.400 . 1 . . . . 207 VAL CG1 . 15628 1 888 . 1 1 73 73 VAL CG2 C 13 21.950 0.400 . 1 . . . . 207 VAL CG2 . 15628 1 889 . 1 1 73 73 VAL N N 15 128.847 0.400 . 1 . . . . 207 VAL N . 15628 1 890 . 1 1 74 74 LEU H H 1 8.146 0.020 . 1 . . . . 208 LEU HN . 15628 1 891 . 1 1 74 74 LEU HA H 1 4.944 0.020 . 1 . . . . 208 LEU HA . 15628 1 892 . 1 1 74 74 LEU HB2 H 1 1.619 0.020 . 2 . . . . 208 LEU HB2 . 15628 1 893 . 1 1 74 74 LEU HB3 H 1 1.458 0.020 . 2 . . . . 208 LEU HB3 . 15628 1 894 . 1 1 74 74 LEU HD11 H 1 0.827 0.020 . 2 . . . . 208 LEU HD1 . 15628 1 895 . 1 1 74 74 LEU HD12 H 1 0.827 0.020 . 2 . . . . 208 LEU HD1 . 15628 1 896 . 1 1 74 74 LEU HD13 H 1 0.827 0.020 . 2 . . . . 208 LEU HD1 . 15628 1 897 . 1 1 74 74 LEU HD21 H 1 0.872 0.020 . 2 . . . . 208 LEU HD2 . 15628 1 898 . 1 1 74 74 LEU HD22 H 1 0.872 0.020 . 2 . . . . 208 LEU HD2 . 15628 1 899 . 1 1 74 74 LEU HD23 H 1 0.872 0.020 . 2 . . . . 208 LEU HD2 . 15628 1 900 . 1 1 74 74 LEU HG H 1 1.713 0.020 . 1 . . . . 208 LEU HG . 15628 1 901 . 1 1 74 74 LEU C C 13 178.400 0.400 . 1 . . . . 208 LEU C . 15628 1 902 . 1 1 74 74 LEU CA C 13 53.520 0.400 . 1 . . . . 208 LEU CA . 15628 1 903 . 1 1 74 74 LEU CB C 13 43.499 0.400 . 1 . . . . 208 LEU CB . 15628 1 904 . 1 1 74 74 LEU CD1 C 13 24.110 0.400 . 1 . . . . 208 LEU CD1 . 15628 1 905 . 1 1 74 74 LEU CD2 C 13 24.602 0.400 . 1 . . . . 208 LEU CD2 . 15628 1 906 . 1 1 74 74 LEU CG C 13 27.904 0.400 . 1 . . . . 208 LEU CG . 15628 1 907 . 1 1 74 74 LEU N N 15 127.599 0.400 . 1 . . . . 208 LEU N . 15628 1 908 . 1 1 75 75 LYS H H 1 8.403 0.020 . 1 . . . . 209 LYS HN . 15628 1 909 . 1 1 75 75 LYS HA H 1 3.771 0.020 . 1 . . . . 209 LYS HA . 15628 1 910 . 1 1 75 75 LYS HB2 H 1 1.562 0.020 . 2 . . . . 209 LYS HB2 . 15628 1 911 . 1 1 75 75 LYS HB3 H 1 1.497 0.020 . 2 . . . . 209 LYS HB3 . 15628 1 912 . 1 1 75 75 LYS HD2 H 1 1.233 0.020 . 2 . . . . 209 LYS HD2 . 15628 1 913 . 1 1 75 75 LYS HD3 H 1 1.233 0.020 . 2 . . . . 209 LYS HD3 . 15628 1 914 . 1 1 75 75 LYS HE2 H 1 2.334 0.020 . 2 . . . . 209 LYS HE2 . 15628 1 915 . 1 1 75 75 LYS HE3 H 1 2.334 0.020 . 2 . . . . 209 LYS HE3 . 15628 1 916 . 1 1 75 75 LYS HG2 H 1 1.014 0.020 . 2 . . . . 209 LYS HG2 . 15628 1 917 . 1 1 75 75 LYS HG3 H 1 0.712 0.020 . 2 . . . . 209 LYS HG3 . 15628 1 918 . 1 1 75 75 LYS C C 13 177.536 0.400 . 1 . . . . 209 LYS C . 15628 1 919 . 1 1 75 75 LYS CA C 13 58.385 0.400 . 1 . . . . 209 LYS CA . 15628 1 920 . 1 1 75 75 LYS CB C 13 32.459 0.400 . 1 . . . . 209 LYS CB . 15628 1 921 . 1 1 75 75 LYS CD C 13 29.101 0.400 . 1 . . . . 209 LYS CD . 15628 1 922 . 1 1 75 75 LYS CE C 13 41.673 0.400 . 1 . . . . 209 LYS CE . 15628 1 923 . 1 1 75 75 LYS CG C 13 25.619 0.400 . 1 . . . . 209 LYS CG . 15628 1 924 . 1 1 75 75 LYS N N 15 123.798 0.400 . 1 . . . . 209 LYS N . 15628 1 925 . 1 1 76 76 GLY H H 1 9.997 0.020 . 1 . . . . 210 GLY HN . 15628 1 926 . 1 1 76 76 GLY HA2 H 1 4.255 0.020 . 2 . . . . 210 GLY HA1 . 15628 1 927 . 1 1 76 76 GLY HA3 H 1 3.791 0.020 . 2 . . . . 210 GLY HA2 . 15628 1 928 . 1 1 76 76 GLY C C 13 175.091 0.400 . 1 . . . . 210 GLY C . 15628 1 929 . 1 1 76 76 GLY CA C 13 45.465 0.400 . 1 . . . . 210 GLY CA . 15628 1 930 . 1 1 76 76 GLY N N 15 114.705 0.400 . 1 . . . . 210 GLY N . 15628 1 931 . 1 1 77 77 GLN H H 1 7.726 0.020 . 1 . . . . 211 GLN HN . 15628 1 932 . 1 1 77 77 GLN HA H 1 4.373 0.020 . 1 . . . . 211 GLN HA . 15628 1 933 . 1 1 77 77 GLN HB2 H 1 2.214 0.020 . 2 . . . . 211 GLN HB2 . 15628 1 934 . 1 1 77 77 GLN HB3 H 1 2.150 0.020 . 2 . . . . 211 GLN HB3 . 15628 1 935 . 1 1 77 77 GLN HE21 H 1 7.598 0.020 . 2 . . . . 211 GLN HE21 . 15628 1 936 . 1 1 77 77 GLN HE22 H 1 6.978 0.020 . 2 . . . . 211 GLN HE22 . 15628 1 937 . 1 1 77 77 GLN HG2 H 1 2.364 0.020 . 2 . . . . 211 GLN HG2 . 15628 1 938 . 1 1 77 77 GLN HG3 H 1 2.234 0.020 . 2 . . . . 211 GLN HG3 . 15628 1 939 . 1 1 77 77 GLN C C 13 176.301 0.400 . 1 . . . . 211 GLN C . 15628 1 940 . 1 1 77 77 GLN CA C 13 57.074 0.400 . 1 . . . . 211 GLN CA . 15628 1 941 . 1 1 77 77 GLN CB C 13 30.798 0.400 . 1 . . . . 211 GLN CB . 15628 1 942 . 1 1 77 77 GLN CG C 13 34.119 0.400 . 1 . . . . 211 GLN CG . 15628 1 943 . 1 1 77 77 GLN N N 15 118.702 0.400 . 1 . . . . 211 GLN N . 15628 1 944 . 1 1 77 77 GLN NE2 N 15 113.371 0.400 . 1 . . . . 211 GLN NE2 . 15628 1 945 . 1 1 78 78 THR H H 1 8.225 0.020 . 1 . . . . 212 THR HN . 15628 1 946 . 1 1 78 78 THR HA H 1 4.620 0.020 . 1 . . . . 212 THR HA . 15628 1 947 . 1 1 78 78 THR HB H 1 3.942 0.020 . 1 . . . . 212 THR HB . 15628 1 948 . 1 1 78 78 THR HG21 H 1 0.954 0.020 . 1 . . . . 212 THR HG2 . 15628 1 949 . 1 1 78 78 THR HG22 H 1 0.954 0.020 . 1 . . . . 212 THR HG2 . 15628 1 950 . 1 1 78 78 THR HG23 H 1 0.954 0.020 . 1 . . . . 212 THR HG2 . 15628 1 951 . 1 1 78 78 THR C C 13 173.920 0.400 . 1 . . . . 212 THR C . 15628 1 952 . 1 1 78 78 THR CA C 13 60.087 0.400 . 1 . . . . 212 THR CA . 15628 1 953 . 1 1 78 78 THR CB C 13 71.412 0.400 . 1 . . . . 212 THR CB . 15628 1 954 . 1 1 78 78 THR CG2 C 13 21.787 0.400 . 1 . . . . 212 THR CG2 . 15628 1 955 . 1 1 78 78 THR N N 15 111.935 0.400 . 1 . . . . 212 THR N . 15628 1 956 . 1 1 79 79 ASP H H 1 8.372 0.020 . 1 . . . . 213 ASP HN . 15628 1 957 . 1 1 79 79 ASP HA H 1 4.470 0.020 . 1 . . . . 213 ASP HA . 15628 1 958 . 1 1 79 79 ASP HB2 H 1 2.803 0.020 . 2 . . . . 213 ASP HB2 . 15628 1 959 . 1 1 79 79 ASP HB3 H 1 2.652 0.020 . 2 . . . . 213 ASP HB3 . 15628 1 960 . 1 1 79 79 ASP C C 13 176.759 0.400 . 1 . . . . 213 ASP C . 15628 1 961 . 1 1 79 79 ASP CA C 13 54.927 0.400 . 1 . . . . 213 ASP CA . 15628 1 962 . 1 1 79 79 ASP CB C 13 43.859 0.400 . 1 . . . . 213 ASP CB . 15628 1 963 . 1 1 79 79 ASP N N 15 122.093 0.400 . 1 . . . . 213 ASP N . 15628 1 964 . 1 1 80 80 LYS H H 1 8.740 0.020 . 1 . . . . 214 LYS HN . 15628 1 965 . 1 1 80 80 LYS HA H 1 4.027 0.020 . 1 . . . . 214 LYS HA . 15628 1 966 . 1 1 80 80 LYS HB2 H 1 1.842 0.020 . 2 . . . . 214 LYS HB2 . 15628 1 967 . 1 1 80 80 LYS HB3 H 1 1.842 0.020 . 2 . . . . 214 LYS HB3 . 15628 1 968 . 1 1 80 80 LYS HD2 H 1 1.671 0.020 . 2 . . . . 214 LYS HD2 . 15628 1 969 . 1 1 80 80 LYS HD3 H 1 1.671 0.020 . 2 . . . . 214 LYS HD3 . 15628 1 970 . 1 1 80 80 LYS HE2 H 1 2.998 0.020 . 2 . . . . 214 LYS HE2 . 15628 1 971 . 1 1 80 80 LYS HE3 H 1 2.998 0.020 . 2 . . . . 214 LYS HE3 . 15628 1 972 . 1 1 80 80 LYS HG2 H 1 1.486 0.020 . 2 . . . . 214 LYS HG2 . 15628 1 973 . 1 1 80 80 LYS HG3 H 1 1.486 0.020 . 2 . . . . 214 LYS HG3 . 15628 1 974 . 1 1 80 80 LYS C C 13 178.493 0.400 . 1 . . . . 214 LYS C . 15628 1 975 . 1 1 80 80 LYS CA C 13 59.802 0.400 . 1 . . . . 214 LYS CA . 15628 1 976 . 1 1 80 80 LYS CB C 13 32.374 0.400 . 1 . . . . 214 LYS CB . 15628 1 977 . 1 1 80 80 LYS CD C 13 29.001 0.400 . 1 . . . . 214 LYS CD . 15628 1 978 . 1 1 80 80 LYS CE C 13 42.229 0.400 . 1 . . . . 214 LYS CE . 15628 1 979 . 1 1 80 80 LYS CG C 13 24.312 0.400 . 1 . . . . 214 LYS CG . 15628 1 980 . 1 1 80 80 LYS N N 15 124.685 0.400 . 1 . . . . 214 LYS N . 15628 1 981 . 1 1 81 81 ASP H H 1 8.556 0.020 . 1 . . . . 215 ASP HN . 15628 1 982 . 1 1 81 81 ASP HA H 1 4.566 0.020 . 1 . . . . 215 ASP HA . 15628 1 983 . 1 1 81 81 ASP HB2 H 1 2.816 0.020 . 2 . . . . 215 ASP HB2 . 15628 1 984 . 1 1 81 81 ASP HB3 H 1 2.607 0.020 . 2 . . . . 215 ASP HB3 . 15628 1 985 . 1 1 81 81 ASP C C 13 178.889 0.400 . 1 . . . . 215 ASP C . 15628 1 986 . 1 1 81 81 ASP CA C 13 58.046 0.400 . 1 . . . . 215 ASP CA . 15628 1 987 . 1 1 81 81 ASP CB C 13 40.872 0.400 . 1 . . . . 215 ASP CB . 15628 1 988 . 1 1 81 81 ASP N N 15 121.413 0.400 . 1 . . . . 215 ASP N . 15628 1 989 . 1 1 82 82 PHE H H 1 8.205 0.020 . 1 . . . . 216 PHE HN . 15628 1 990 . 1 1 82 82 PHE HA H 1 3.686 0.020 . 1 . . . . 216 PHE HA . 15628 1 991 . 1 1 82 82 PHE HB2 H 1 3.487 0.020 . 2 . . . . 216 PHE HB2 . 15628 1 992 . 1 1 82 82 PHE HB3 H 1 2.450 0.020 . 2 . . . . 216 PHE HB3 . 15628 1 993 . 1 1 82 82 PHE HD1 H 1 6.436 0.020 . 3 . . . . 216 PHE HD1 . 15628 1 994 . 1 1 82 82 PHE HD2 H 1 6.436 0.020 . 3 . . . . 216 PHE HD2 . 15628 1 995 . 1 1 82 82 PHE HE1 H 1 6.988 0.020 . 3 . . . . 216 PHE HE1 . 15628 1 996 . 1 1 82 82 PHE HE2 H 1 6.988 0.020 . 3 . . . . 216 PHE HE2 . 15628 1 997 . 1 1 82 82 PHE HZ H 1 6.597 0.020 . 1 . . . . 216 PHE HZ . 15628 1 998 . 1 1 82 82 PHE C C 13 175.919 0.400 . 1 . . . . 216 PHE C . 15628 1 999 . 1 1 82 82 PHE CA C 13 61.648 0.400 . 1 . . . . 216 PHE CA . 15628 1 1000 . 1 1 82 82 PHE CB C 13 39.743 0.400 . 1 . . . . 216 PHE CB . 15628 1 1001 . 1 1 82 82 PHE CD1 C 13 131.691 0.400 . 1 . . . . 216 PHE CD1 . 15628 1 1002 . 1 1 82 82 PHE CE1 C 13 130.458 0.400 . 1 . . . . 216 PHE CE1 . 15628 1 1003 . 1 1 82 82 PHE CZ C 13 128.222 0.400 . 1 . . . . 216 PHE CZ . 15628 1 1004 . 1 1 82 82 PHE N N 15 124.401 0.400 . 1 . . . . 216 PHE N . 15628 1 1005 . 1 1 83 83 GLU H H 1 8.887 0.020 . 1 . . . . 217 GLU HN . 15628 1 1006 . 1 1 83 83 GLU HA H 1 3.704 0.020 . 1 . . . . 217 GLU HA . 15628 1 1007 . 1 1 83 83 GLU HB2 H 1 2.317 0.020 . 2 . . . . 217 GLU HB2 . 15628 1 1008 . 1 1 83 83 GLU HB3 H 1 2.030 0.020 . 2 . . . . 217 GLU HB3 . 15628 1 1009 . 1 1 83 83 GLU HG2 H 1 2.250 0.020 . 2 . . . . 217 GLU HG2 . 15628 1 1010 . 1 1 83 83 GLU HG3 H 1 1.962 0.020 . 2 . . . . 217 GLU HG3 . 15628 1 1011 . 1 1 83 83 GLU C C 13 177.788 0.400 . 1 . . . . 217 GLU C . 15628 1 1012 . 1 1 83 83 GLU CA C 13 60.545 0.400 . 1 . . . . 217 GLU CA . 15628 1 1013 . 1 1 83 83 GLU CB C 13 30.639 0.400 . 1 . . . . 217 GLU CB . 15628 1 1014 . 1 1 83 83 GLU CG C 13 37.779 0.400 . 1 . . . . 217 GLU CG . 15628 1 1015 . 1 1 83 83 GLU N N 15 119.421 0.400 . 1 . . . . 217 GLU N . 15628 1 1016 . 1 1 84 84 LYS H H 1 8.055 0.020 . 1 . . . . 218 LYS HN . 15628 1 1017 . 1 1 84 84 LYS HA H 1 3.947 0.020 . 1 . . . . 218 LYS HA . 15628 1 1018 . 1 1 84 84 LYS HB2 H 1 1.965 0.020 . 2 . . . . 218 LYS HB2 . 15628 1 1019 . 1 1 84 84 LYS HB3 H 1 1.850 0.020 . 2 . . . . 218 LYS HB3 . 15628 1 1020 . 1 1 84 84 LYS HD2 H 1 1.714 0.020 . 2 . . . . 218 LYS HD2 . 15628 1 1021 . 1 1 84 84 LYS HD3 H 1 1.714 0.020 . 2 . . . . 218 LYS HD3 . 15628 1 1022 . 1 1 84 84 LYS HE2 H 1 2.968 0.020 . 2 . . . . 218 LYS HE2 . 15628 1 1023 . 1 1 84 84 LYS HE3 H 1 2.968 0.020 . 2 . . . . 218 LYS HE3 . 15628 1 1024 . 1 1 84 84 LYS HG2 H 1 1.576 0.020 . 2 . . . . 218 LYS HG2 . 15628 1 1025 . 1 1 84 84 LYS HG3 H 1 1.441 0.020 . 2 . . . . 218 LYS HG3 . 15628 1 1026 . 1 1 84 84 LYS C C 13 178.783 0.400 . 1 . . . . 218 LYS C . 15628 1 1027 . 1 1 84 84 LYS CA C 13 59.327 0.400 . 1 . . . . 218 LYS CA . 15628 1 1028 . 1 1 84 84 LYS CB C 13 32.539 0.400 . 1 . . . . 218 LYS CB . 15628 1 1029 . 1 1 84 84 LYS CD C 13 29.470 0.400 . 1 . . . . 218 LYS CD . 15628 1 1030 . 1 1 84 84 LYS CE C 13 42.146 0.400 . 1 . . . . 218 LYS CE . 15628 1 1031 . 1 1 84 84 LYS CG C 13 24.877 0.400 . 1 . . . . 218 LYS CG . 15628 1 1032 . 1 1 84 84 LYS N N 15 117.821 0.400 . 1 . . . . 218 LYS N . 15628 1 1033 . 1 1 85 85 ALA H H 1 7.059 0.020 . 1 . . . . 219 ALA HN . 15628 1 1034 . 1 1 85 85 ALA HA H 1 4.040 0.020 . 1 . . . . 219 ALA HA . 15628 1 1035 . 1 1 85 85 ALA HB1 H 1 1.317 0.020 . 1 . . . . 219 ALA HB . 15628 1 1036 . 1 1 85 85 ALA HB2 H 1 1.317 0.020 . 1 . . . . 219 ALA HB . 15628 1 1037 . 1 1 85 85 ALA HB3 H 1 1.317 0.020 . 1 . . . . 219 ALA HB . 15628 1 1038 . 1 1 85 85 ALA C C 13 179.794 0.400 . 1 . . . . 219 ALA C . 15628 1 1039 . 1 1 85 85 ALA CA C 13 54.407 0.400 . 1 . . . . 219 ALA CA . 15628 1 1040 . 1 1 85 85 ALA CB C 13 20.130 0.400 . 1 . . . . 219 ALA CB . 15628 1 1041 . 1 1 85 85 ALA N N 15 118.905 0.400 . 1 . . . . 219 ALA N . 15628 1 1042 . 1 1 86 86 LEU H H 1 8.157 0.020 . 1 . . . . 220 LEU HN . 15628 1 1043 . 1 1 86 86 LEU HA H 1 3.692 0.020 . 1 . . . . 220 LEU HA . 15628 1 1044 . 1 1 86 86 LEU HB2 H 1 1.782 0.020 . 2 . . . . 220 LEU HB2 . 15628 1 1045 . 1 1 86 86 LEU HB3 H 1 0.958 0.020 . 2 . . . . 220 LEU HB3 . 15628 1 1046 . 1 1 86 86 LEU HD11 H 1 0.654 0.020 . 2 . . . . 220 LEU HD1 . 15628 1 1047 . 1 1 86 86 LEU HD12 H 1 0.654 0.020 . 2 . . . . 220 LEU HD1 . 15628 1 1048 . 1 1 86 86 LEU HD13 H 1 0.654 0.020 . 2 . . . . 220 LEU HD1 . 15628 1 1049 . 1 1 86 86 LEU HD21 H 1 0.559 0.020 . 2 . . . . 220 LEU HD2 . 15628 1 1050 . 1 1 86 86 LEU HD22 H 1 0.559 0.020 . 2 . . . . 220 LEU HD2 . 15628 1 1051 . 1 1 86 86 LEU HD23 H 1 0.559 0.020 . 2 . . . . 220 LEU HD2 . 15628 1 1052 . 1 1 86 86 LEU HG H 1 0.657 0.020 . 1 . . . . 220 LEU HG . 15628 1 1053 . 1 1 86 86 LEU C C 13 178.330 0.400 . 1 . . . . 220 LEU C . 15628 1 1054 . 1 1 86 86 LEU CA C 13 57.752 0.400 . 1 . . . . 220 LEU CA . 15628 1 1055 . 1 1 86 86 LEU CB C 13 41.464 0.400 . 1 . . . . 220 LEU CB . 15628 1 1056 . 1 1 86 86 LEU CD1 C 13 26.671 0.400 . 1 . . . . 220 LEU CD1 . 15628 1 1057 . 1 1 86 86 LEU CD2 C 13 22.529 0.400 . 1 . . . . 220 LEU CD2 . 15628 1 1058 . 1 1 86 86 LEU CG C 13 27.270 0.400 . 1 . . . . 220 LEU CG . 15628 1 1059 . 1 1 86 86 LEU N N 15 118.606 0.400 . 1 . . . . 220 LEU N . 15628 1 1060 . 1 1 87 87 PHE H H 1 8.349 0.020 . 1 . . . . 221 PHE HN . 15628 1 1061 . 1 1 87 87 PHE HA H 1 3.861 0.020 . 1 . . . . 221 PHE HA . 15628 1 1062 . 1 1 87 87 PHE HB2 H 1 3.205 0.020 . 2 . . . . 221 PHE HB2 . 15628 1 1063 . 1 1 87 87 PHE HB3 H 1 2.978 0.020 . 2 . . . . 221 PHE HB3 . 15628 1 1064 . 1 1 87 87 PHE HD1 H 1 7.547 0.020 . 3 . . . . 221 PHE HD1 . 15628 1 1065 . 1 1 87 87 PHE HD2 H 1 7.547 0.020 . 3 . . . . 221 PHE HD2 . 15628 1 1066 . 1 1 87 87 PHE HE1 H 1 7.541 0.020 . 3 . . . . 221 PHE HE1 . 15628 1 1067 . 1 1 87 87 PHE HE2 H 1 7.541 0.020 . 3 . . . . 221 PHE HE2 . 15628 1 1068 . 1 1 87 87 PHE HZ H 1 7.206 0.020 . 1 . . . . 221 PHE HZ . 15628 1 1069 . 1 1 87 87 PHE C C 13 176.176 0.400 . 1 . . . . 221 PHE C . 15628 1 1070 . 1 1 87 87 PHE CA C 13 61.780 0.400 . 1 . . . . 221 PHE CA . 15628 1 1071 . 1 1 87 87 PHE CB C 13 37.549 0.400 . 1 . . . . 221 PHE CB . 15628 1 1072 . 1 1 87 87 PHE CD1 C 13 131.639 0.400 . 1 . . . . 221 PHE CD1 . 15628 1 1073 . 1 1 87 87 PHE CE1 C 13 131.639 0.400 . 1 . . . . 221 PHE CE1 . 15628 1 1074 . 1 1 87 87 PHE CZ C 13 130.023 0.400 . 1 . . . . 221 PHE CZ . 15628 1 1075 . 1 1 87 87 PHE N N 15 112.449 0.400 . 1 . . . . 221 PHE N . 15628 1 1076 . 1 1 88 88 LYS H H 1 7.061 0.020 . 1 . . . . 222 LYS HN . 15628 1 1077 . 1 1 88 88 LYS HA H 1 4.380 0.020 . 1 . . . . 222 LYS HA . 15628 1 1078 . 1 1 88 88 LYS HB2 H 1 1.885 0.020 . 2 . . . . 222 LYS HB2 . 15628 1 1079 . 1 1 88 88 LYS HB3 H 1 1.853 0.020 . 2 . . . . 222 LYS HB3 . 15628 1 1080 . 1 1 88 88 LYS HD2 H 1 1.671 0.020 . 2 . . . . 222 LYS HD2 . 15628 1 1081 . 1 1 88 88 LYS HD3 H 1 1.671 0.020 . 2 . . . . 222 LYS HD3 . 15628 1 1082 . 1 1 88 88 LYS HE2 H 1 2.976 0.020 . 2 . . . . 222 LYS HE2 . 15628 1 1083 . 1 1 88 88 LYS HE3 H 1 2.976 0.020 . 2 . . . . 222 LYS HE3 . 15628 1 1084 . 1 1 88 88 LYS HG2 H 1 1.568 0.020 . 2 . . . . 222 LYS HG2 . 15628 1 1085 . 1 1 88 88 LYS HG3 H 1 1.568 0.020 . 2 . . . . 222 LYS HG3 . 15628 1 1086 . 1 1 88 88 LYS C C 13 177.089 0.400 . 1 . . . . 222 LYS C . 15628 1 1087 . 1 1 88 88 LYS CA C 13 56.726 0.400 . 1 . . . . 222 LYS CA . 15628 1 1088 . 1 1 88 88 LYS CB C 13 33.738 0.400 . 1 . . . . 222 LYS CB . 15628 1 1089 . 1 1 88 88 LYS CD C 13 29.397 0.400 . 1 . . . . 222 LYS CD . 15628 1 1090 . 1 1 88 88 LYS CE C 13 42.122 0.400 . 1 . . . . 222 LYS CE . 15628 1 1091 . 1 1 88 88 LYS CG C 13 24.822 0.400 . 1 . . . . 222 LYS CG . 15628 1 1092 . 1 1 88 88 LYS N N 15 118.308 0.400 . 1 . . . . 222 LYS N . 15628 1 1093 . 1 1 89 89 LEU H H 1 7.270 0.020 . 1 . . . . 223 LEU HN . 15628 1 1094 . 1 1 89 89 LEU HA H 1 4.168 0.020 . 1 . . . . 223 LEU HA . 15628 1 1095 . 1 1 89 89 LEU HB2 H 1 1.827 0.020 . 2 . . . . 223 LEU HB2 . 15628 1 1096 . 1 1 89 89 LEU HB3 H 1 1.461 0.020 . 2 . . . . 223 LEU HB3 . 15628 1 1097 . 1 1 89 89 LEU HD11 H 1 0.712 0.020 . 2 . . . . 223 LEU HD1 . 15628 1 1098 . 1 1 89 89 LEU HD12 H 1 0.712 0.020 . 2 . . . . 223 LEU HD1 . 15628 1 1099 . 1 1 89 89 LEU HD13 H 1 0.712 0.020 . 2 . . . . 223 LEU HD1 . 15628 1 1100 . 1 1 89 89 LEU HD21 H 1 0.535 0.020 . 2 . . . . 223 LEU HD2 . 15628 1 1101 . 1 1 89 89 LEU HD22 H 1 0.535 0.020 . 2 . . . . 223 LEU HD2 . 15628 1 1102 . 1 1 89 89 LEU HD23 H 1 0.535 0.020 . 2 . . . . 223 LEU HD2 . 15628 1 1103 . 1 1 89 89 LEU HG H 1 2.071 0.020 . 1 . . . . 223 LEU HG . 15628 1 1104 . 1 1 89 89 LEU C C 13 177.528 0.400 . 1 . . . . 223 LEU C . 15628 1 1105 . 1 1 89 89 LEU CA C 13 55.279 0.400 . 1 . . . . 223 LEU CA . 15628 1 1106 . 1 1 89 89 LEU CB C 13 43.240 0.400 . 1 . . . . 223 LEU CB . 15628 1 1107 . 1 1 89 89 LEU CD1 C 13 26.099 0.400 . 1 . . . . 223 LEU CD1 . 15628 1 1108 . 1 1 89 89 LEU CD2 C 13 22.103 0.400 . 1 . . . . 223 LEU CD2 . 15628 1 1109 . 1 1 89 89 LEU CG C 13 25.347 0.400 . 1 . . . . 223 LEU CG . 15628 1 1110 . 1 1 89 89 LEU N N 15 121.317 0.400 . 1 . . . . 223 LEU N . 15628 1 1111 . 1 1 90 90 LYS H H 1 8.788 0.020 . 1 . . . . 224 LYS HN . 15628 1 1112 . 1 1 90 90 LYS HA H 1 4.359 0.020 . 1 . . . . 224 LYS HA . 15628 1 1113 . 1 1 90 90 LYS HB2 H 1 1.835 0.020 . 2 . . . . 224 LYS HB2 . 15628 1 1114 . 1 1 90 90 LYS HB3 H 1 1.551 0.020 . 2 . . . . 224 LYS HB3 . 15628 1 1115 . 1 1 90 90 LYS HD2 H 1 1.666 0.020 . 2 . . . . 224 LYS HD2 . 15628 1 1116 . 1 1 90 90 LYS HD3 H 1 1.666 0.020 . 2 . . . . 224 LYS HD3 . 15628 1 1117 . 1 1 90 90 LYS HE2 H 1 2.992 0.020 . 2 . . . . 224 LYS HE2 . 15628 1 1118 . 1 1 90 90 LYS HE3 H 1 2.992 0.020 . 2 . . . . 224 LYS HE3 . 15628 1 1119 . 1 1 90 90 LYS HG2 H 1 1.531 0.020 . 2 . . . . 224 LYS HG2 . 15628 1 1120 . 1 1 90 90 LYS HG3 H 1 1.458 0.020 . 2 . . . . 224 LYS HG3 . 15628 1 1121 . 1 1 90 90 LYS C C 13 175.839 0.400 . 1 . . . . 224 LYS C . 15628 1 1122 . 1 1 90 90 LYS CA C 13 54.772 0.400 . 1 . . . . 224 LYS CA . 15628 1 1123 . 1 1 90 90 LYS CB C 13 33.232 0.400 . 1 . . . . 224 LYS CB . 15628 1 1124 . 1 1 90 90 LYS CD C 13 28.886 0.400 . 1 . . . . 224 LYS CD . 15628 1 1125 . 1 1 90 90 LYS CE C 13 42.172 0.400 . 1 . . . . 224 LYS CE . 15628 1 1126 . 1 1 90 90 LYS CG C 13 25.181 0.400 . 1 . . . . 224 LYS CG . 15628 1 1127 . 1 1 90 90 LYS N N 15 123.558 0.400 . 1 . . . . 224 LYS N . 15628 1 1128 . 1 1 91 91 ASP H H 1 8.125 0.020 . 1 . . . . 225 ASP HN . 15628 1 1129 . 1 1 91 91 ASP HA H 1 3.958 0.020 . 1 . . . . 225 ASP HA . 15628 1 1130 . 1 1 91 91 ASP HB2 H 1 2.482 0.020 . 2 . . . . 225 ASP HB2 . 15628 1 1131 . 1 1 91 91 ASP HB3 H 1 2.423 0.020 . 2 . . . . 225 ASP HB3 . 15628 1 1132 . 1 1 91 91 ASP C C 13 177.452 0.400 . 1 . . . . 225 ASP C . 15628 1 1133 . 1 1 91 91 ASP CA C 13 56.642 0.400 . 1 . . . . 225 ASP CA . 15628 1 1134 . 1 1 91 91 ASP CB C 13 40.269 0.400 . 1 . . . . 225 ASP CB . 15628 1 1135 . 1 1 91 91 ASP N N 15 119.419 0.400 . 1 . . . . 225 ASP N . 15628 1 1136 . 1 1 92 92 GLY H H 1 8.681 0.020 . 1 . . . . 226 GLY HN . 15628 1 1137 . 1 1 92 92 GLY HA2 H 1 4.131 0.020 . 2 . . . . 226 GLY HA1 . 15628 1 1138 . 1 1 92 92 GLY HA3 H 1 3.579 0.020 . 2 . . . . 226 GLY HA2 . 15628 1 1139 . 1 1 92 92 GLY C C 13 173.614 0.400 . 1 . . . . 226 GLY C . 15628 1 1140 . 1 1 92 92 GLY CA C 13 45.564 0.400 . 1 . . . . 226 GLY CA . 15628 1 1141 . 1 1 92 92 GLY N N 15 113.802 0.400 . 1 . . . . 226 GLY N . 15628 1 1142 . 1 1 93 93 GLU H H 1 8.104 0.020 . 1 . . . . 227 GLU HN . 15628 1 1143 . 1 1 93 93 GLU HA H 1 4.232 0.020 . 1 . . . . 227 GLU HA . 15628 1 1144 . 1 1 93 93 GLU HB2 H 1 2.038 0.020 . 2 . . . . 227 GLU HB2 . 15628 1 1145 . 1 1 93 93 GLU HB3 H 1 2.038 0.020 . 2 . . . . 227 GLU HB3 . 15628 1 1146 . 1 1 93 93 GLU HG2 H 1 2.242 0.020 . 2 . . . . 227 GLU HG2 . 15628 1 1147 . 1 1 93 93 GLU HG3 H 1 2.153 0.020 . 2 . . . . 227 GLU HG3 . 15628 1 1148 . 1 1 93 93 GLU C C 13 174.282 0.400 . 1 . . . . 227 GLU C . 15628 1 1149 . 1 1 93 93 GLU CA C 13 56.651 0.400 . 1 . . . . 227 GLU CA . 15628 1 1150 . 1 1 93 93 GLU CB C 13 32.190 0.400 . 1 . . . . 227 GLU CB . 15628 1 1151 . 1 1 93 93 GLU CG C 13 37.242 0.400 . 1 . . . . 227 GLU CG . 15628 1 1152 . 1 1 93 93 GLU N N 15 121.527 0.400 . 1 . . . . 227 GLU N . 15628 1 1153 . 1 1 94 94 VAL H H 1 7.918 0.020 . 1 . . . . 228 VAL HN . 15628 1 1154 . 1 1 94 94 VAL HA H 1 4.857 0.020 . 1 . . . . 228 VAL HA . 15628 1 1155 . 1 1 94 94 VAL HB H 1 1.867 0.020 . 1 . . . . 228 VAL HB . 15628 1 1156 . 1 1 94 94 VAL HG11 H 1 1.087 0.020 . 2 . . . . 228 VAL HG1 . 15628 1 1157 . 1 1 94 94 VAL HG12 H 1 1.087 0.020 . 2 . . . . 228 VAL HG1 . 15628 1 1158 . 1 1 94 94 VAL HG13 H 1 1.087 0.020 . 2 . . . . 228 VAL HG1 . 15628 1 1159 . 1 1 94 94 VAL HG21 H 1 0.907 0.020 . 2 . . . . 228 VAL HG2 . 15628 1 1160 . 1 1 94 94 VAL HG22 H 1 0.907 0.020 . 2 . . . . 228 VAL HG2 . 15628 1 1161 . 1 1 94 94 VAL HG23 H 1 0.907 0.020 . 2 . . . . 228 VAL HG2 . 15628 1 1162 . 1 1 94 94 VAL C C 13 176.556 0.400 . 1 . . . . 228 VAL C . 15628 1 1163 . 1 1 94 94 VAL CA C 13 60.309 0.400 . 1 . . . . 228 VAL CA . 15628 1 1164 . 1 1 94 94 VAL CB C 13 33.847 0.400 . 1 . . . . 228 VAL CB . 15628 1 1165 . 1 1 94 94 VAL CG1 C 13 21.922 0.400 . 1 . . . . 228 VAL CG1 . 15628 1 1166 . 1 1 94 94 VAL CG2 C 13 21.370 0.400 . 1 . . . . 228 VAL CG2 . 15628 1 1167 . 1 1 94 94 VAL N N 15 119.768 0.400 . 1 . . . . 228 VAL N . 15628 1 1168 . 1 1 95 95 SER H H 1 9.659 0.020 . 1 . . . . 229 SER HN . 15628 1 1169 . 1 1 95 95 SER HA H 1 4.313 0.020 . 1 . . . . 229 SER HA . 15628 1 1170 . 1 1 95 95 SER HB2 H 1 4.404 0.020 . 2 . . . . 229 SER HB2 . 15628 1 1171 . 1 1 95 95 SER HB3 H 1 3.763 0.020 . 2 . . . . 229 SER HB3 . 15628 1 1172 . 1 1 95 95 SER C C 13 174.641 0.400 . 1 . . . . 229 SER C . 15628 1 1173 . 1 1 95 95 SER CA C 13 59.208 0.400 . 1 . . . . 229 SER CA . 15628 1 1174 . 1 1 95 95 SER CB C 13 66.080 0.400 . 1 . . . . 229 SER CB . 15628 1 1175 . 1 1 95 95 SER N N 15 124.903 0.400 . 1 . . . . 229 SER N . 15628 1 1176 . 1 1 96 96 GLU H H 1 8.014 0.020 . 1 . . . . 230 GLU HN . 15628 1 1177 . 1 1 96 96 GLU HA H 1 4.376 0.020 . 1 . . . . 230 GLU HA . 15628 1 1178 . 1 1 96 96 GLU HB2 H 1 2.210 0.020 . 2 . . . . 230 GLU HB2 . 15628 1 1179 . 1 1 96 96 GLU HB3 H 1 1.876 0.020 . 2 . . . . 230 GLU HB3 . 15628 1 1180 . 1 1 96 96 GLU HG2 H 1 2.357 0.020 . 2 . . . . 230 GLU HG2 . 15628 1 1181 . 1 1 96 96 GLU HG3 H 1 2.252 0.020 . 2 . . . . 230 GLU HG3 . 15628 1 1182 . 1 1 96 96 GLU C C 13 176.641 0.400 . 1 . . . . 230 GLU C . 15628 1 1183 . 1 1 96 96 GLU CA C 13 56.236 0.400 . 1 . . . . 230 GLU CA . 15628 1 1184 . 1 1 96 96 GLU CB C 13 30.324 0.400 . 1 . . . . 230 GLU CB . 15628 1 1185 . 1 1 96 96 GLU CG C 13 36.244 0.400 . 1 . . . . 230 GLU CG . 15628 1 1186 . 1 1 96 96 GLU N N 15 115.510 0.400 . 1 . . . . 230 GLU N . 15628 1 1187 . 1 1 97 97 VAL H H 1 8.741 0.020 . 1 . . . . 231 VAL HN . 15628 1 1188 . 1 1 97 97 VAL HA H 1 4.171 0.020 . 1 . . . . 231 VAL HA . 15628 1 1189 . 1 1 97 97 VAL HB H 1 2.042 0.020 . 1 . . . . 231 VAL HB . 15628 1 1190 . 1 1 97 97 VAL HG11 H 1 0.983 0.020 . 2 . . . . 231 VAL HG1 . 15628 1 1191 . 1 1 97 97 VAL HG12 H 1 0.983 0.020 . 2 . . . . 231 VAL HG1 . 15628 1 1192 . 1 1 97 97 VAL HG13 H 1 0.983 0.020 . 2 . . . . 231 VAL HG1 . 15628 1 1193 . 1 1 97 97 VAL HG21 H 1 0.828 0.020 . 2 . . . . 231 VAL HG2 . 15628 1 1194 . 1 1 97 97 VAL HG22 H 1 0.828 0.020 . 2 . . . . 231 VAL HG2 . 15628 1 1195 . 1 1 97 97 VAL HG23 H 1 0.828 0.020 . 2 . . . . 231 VAL HG2 . 15628 1 1196 . 1 1 97 97 VAL C C 13 176.684 0.400 . 1 . . . . 231 VAL C . 15628 1 1197 . 1 1 97 97 VAL CA C 13 65.418 0.400 . 1 . . . . 231 VAL CA . 15628 1 1198 . 1 1 97 97 VAL CB C 13 31.218 0.400 . 1 . . . . 231 VAL CB . 15628 1 1199 . 1 1 97 97 VAL CG1 C 13 23.805 0.400 . 1 . . . . 231 VAL CG1 . 15628 1 1200 . 1 1 97 97 VAL CG2 C 13 23.400 0.400 . 1 . . . . 231 VAL CG2 . 15628 1 1201 . 1 1 97 97 VAL N N 15 121.289 0.400 . 1 . . . . 231 VAL N . 15628 1 1202 . 1 1 98 98 VAL H H 1 9.218 0.020 . 1 . . . . 232 VAL HN . 15628 1 1203 . 1 1 98 98 VAL HA H 1 4.405 0.020 . 1 . . . . 232 VAL HA . 15628 1 1204 . 1 1 98 98 VAL HB H 1 1.889 0.020 . 1 . . . . 232 VAL HB . 15628 1 1205 . 1 1 98 98 VAL HG11 H 1 0.901 0.020 . 2 . . . . 232 VAL HG1 . 15628 1 1206 . 1 1 98 98 VAL HG12 H 1 0.901 0.020 . 2 . . . . 232 VAL HG1 . 15628 1 1207 . 1 1 98 98 VAL HG13 H 1 0.901 0.020 . 2 . . . . 232 VAL HG1 . 15628 1 1208 . 1 1 98 98 VAL HG21 H 1 0.783 0.020 . 2 . . . . 232 VAL HG2 . 15628 1 1209 . 1 1 98 98 VAL HG22 H 1 0.783 0.020 . 2 . . . . 232 VAL HG2 . 15628 1 1210 . 1 1 98 98 VAL HG23 H 1 0.783 0.020 . 2 . . . . 232 VAL HG2 . 15628 1 1211 . 1 1 98 98 VAL C C 13 174.258 0.400 . 1 . . . . 232 VAL C . 15628 1 1212 . 1 1 98 98 VAL CA C 13 60.937 0.400 . 1 . . . . 232 VAL CA . 15628 1 1213 . 1 1 98 98 VAL CB C 13 35.825 0.400 . 1 . . . . 232 VAL CB . 15628 1 1214 . 1 1 98 98 VAL CG1 C 13 20.591 0.400 . 1 . . . . 232 VAL CG1 . 15628 1 1215 . 1 1 98 98 VAL CG2 C 13 20.246 0.400 . 1 . . . . 232 VAL CG2 . 15628 1 1216 . 1 1 98 98 VAL N N 15 130.544 0.400 . 1 . . . . 232 VAL N . 15628 1 1217 . 1 1 99 99 LYS H H 1 8.800 0.020 . 1 . . . . 233 LYS HN . 15628 1 1218 . 1 1 99 99 LYS HA H 1 4.853 0.020 . 1 . . . . 233 LYS HA . 15628 1 1219 . 1 1 99 99 LYS HB2 H 1 1.813 0.020 . 2 . . . . 233 LYS HB2 . 15628 1 1220 . 1 1 99 99 LYS HB3 H 1 1.647 0.020 . 2 . . . . 233 LYS HB3 . 15628 1 1221 . 1 1 99 99 LYS HD2 H 1 1.558 0.020 . 2 . . . . 233 LYS HD2 . 15628 1 1222 . 1 1 99 99 LYS HD3 H 1 1.330 0.020 . 2 . . . . 233 LYS HD3 . 15628 1 1223 . 1 1 99 99 LYS HE2 H 1 2.806 0.020 . 2 . . . . 233 LYS HE2 . 15628 1 1224 . 1 1 99 99 LYS HE3 H 1 2.749 0.020 . 2 . . . . 233 LYS HE3 . 15628 1 1225 . 1 1 99 99 LYS HG2 H 1 1.222 0.020 . 2 . . . . 233 LYS HG2 . 15628 1 1226 . 1 1 99 99 LYS HG3 H 1 0.646 0.020 . 2 . . . . 233 LYS HG3 . 15628 1 1227 . 1 1 99 99 LYS C C 13 175.274 0.400 . 1 . . . . 233 LYS C . 15628 1 1228 . 1 1 99 99 LYS CA C 13 55.499 0.400 . 1 . . . . 233 LYS CA . 15628 1 1229 . 1 1 99 99 LYS CB C 13 34.452 0.400 . 1 . . . . 233 LYS CB . 15628 1 1230 . 1 1 99 99 LYS CD C 13 28.988 0.400 . 1 . . . . 233 LYS CD . 15628 1 1231 . 1 1 99 99 LYS CE C 13 42.379 0.400 . 1 . . . . 233 LYS CE . 15628 1 1232 . 1 1 99 99 LYS CG C 13 25.007 0.400 . 1 . . . . 233 LYS CG . 15628 1 1233 . 1 1 99 99 LYS N N 15 130.477 0.400 . 1 . . . . 233 LYS N . 15628 1 1234 . 1 1 100 100 SER H H 1 9.585 0.020 . 1 . . . . 234 SER HN . 15628 1 1235 . 1 1 100 100 SER HA H 1 5.150 0.020 . 1 . . . . 234 SER HA . 15628 1 1236 . 1 1 100 100 SER HB2 H 1 4.502 0.020 . 2 . . . . 234 SER HB2 . 15628 1 1237 . 1 1 100 100 SER HB3 H 1 3.769 0.020 . 2 . . . . 234 SER HB3 . 15628 1 1238 . 1 1 100 100 SER C C 13 175.493 0.400 . 1 . . . . 234 SER C . 15628 1 1239 . 1 1 100 100 SER CA C 13 56.927 0.400 . 1 . . . . 234 SER CA . 15628 1 1240 . 1 1 100 100 SER CB C 13 67.309 0.400 . 1 . . . . 234 SER CB . 15628 1 1241 . 1 1 100 100 SER N N 15 125.814 0.400 . 1 . . . . 234 SER N . 15628 1 1242 . 1 1 101 101 SER H H 1 8.631 0.020 . 1 . . . . 235 SER HN . 15628 1 1243 . 1 1 101 101 SER HA H 1 4.106 0.020 . 1 . . . . 235 SER HA . 15628 1 1244 . 1 1 101 101 SER HB2 H 1 3.698 0.020 . 2 . . . . 235 SER HB2 . 15628 1 1245 . 1 1 101 101 SER HB3 H 1 3.618 0.020 . 2 . . . . 235 SER HB3 . 15628 1 1246 . 1 1 101 101 SER C C 13 175.385 0.400 . 1 . . . . 235 SER C . 15628 1 1247 . 1 1 101 101 SER CA C 13 61.123 0.400 . 1 . . . . 235 SER CA . 15628 1 1248 . 1 1 101 101 SER CB C 13 62.818 0.400 . 1 . . . . 235 SER CB . 15628 1 1249 . 1 1 101 101 SER N N 15 115.089 0.400 . 1 . . . . 235 SER N . 15628 1 1250 . 1 1 102 102 PHE H H 1 8.957 0.020 . 1 . . . . 236 PHE HN . 15628 1 1251 . 1 1 102 102 PHE HA H 1 4.610 0.020 . 1 . . . . 236 PHE HA . 15628 1 1252 . 1 1 102 102 PHE HB2 H 1 3.128 0.020 . 2 . . . . 236 PHE HB2 . 15628 1 1253 . 1 1 102 102 PHE HB3 H 1 2.817 0.020 . 2 . . . . 236 PHE HB3 . 15628 1 1254 . 1 1 102 102 PHE HD1 H 1 7.320 0.020 . 4 . . . . 236 PHE HD1 . 15628 1 1255 . 1 1 102 102 PHE HD2 H 1 7.320 0.020 . 4 . . . . 236 PHE HD2 . 15628 1 1256 . 1 1 102 102 PHE HE1 H 1 7.320 0.020 . 4 . . . . 236 PHE HE1 . 15628 1 1257 . 1 1 102 102 PHE HE2 H 1 7.320 0.020 . 4 . . . . 236 PHE HE2 . 15628 1 1258 . 1 1 102 102 PHE HZ H 1 7.320 0.020 . 4 . . . . 236 PHE HZ . 15628 1 1259 . 1 1 102 102 PHE C C 13 176.453 0.400 . 1 . . . . 236 PHE C . 15628 1 1260 . 1 1 102 102 PHE CA C 13 58.382 0.400 . 1 . . . . 236 PHE CA . 15628 1 1261 . 1 1 102 102 PHE CB C 13 40.275 0.400 . 1 . . . . 236 PHE CB . 15628 1 1262 . 1 1 102 102 PHE CD1 C 13 131.258 0.400 . 1 . . . . 236 PHE CD1 . 15628 1 1263 . 1 1 102 102 PHE N N 15 119.917 0.400 . 1 . . . . 236 PHE N . 15628 1 1264 . 1 1 103 103 GLY H H 1 7.377 0.020 . 1 . . . . 237 GLY HN . 15628 1 1265 . 1 1 103 103 GLY HA2 H 1 4.453 0.020 . 2 . . . . 237 GLY HA1 . 15628 1 1266 . 1 1 103 103 GLY HA3 H 1 3.472 0.020 . 2 . . . . 237 GLY HA2 . 15628 1 1267 . 1 1 103 103 GLY C C 13 169.627 0.400 . 1 . . . . 237 GLY C . 15628 1 1268 . 1 1 103 103 GLY CA C 13 45.384 0.400 . 1 . . . . 237 GLY CA . 15628 1 1269 . 1 1 103 103 GLY N N 15 108.809 0.400 . 1 . . . . 237 GLY N . 15628 1 1270 . 1 1 104 104 TYR H H 1 8.632 0.020 . 1 . . . . 238 TYR HN . 15628 1 1271 . 1 1 104 104 TYR HA H 1 5.322 0.020 . 1 . . . . 238 TYR HA . 15628 1 1272 . 1 1 104 104 TYR HB2 H 1 2.601 0.020 . 2 . . . . 238 TYR HB2 . 15628 1 1273 . 1 1 104 104 TYR HB3 H 1 2.443 0.020 . 2 . . . . 238 TYR HB3 . 15628 1 1274 . 1 1 104 104 TYR HD1 H 1 6.716 0.020 . 3 . . . . 238 TYR HD1 . 15628 1 1275 . 1 1 104 104 TYR HD2 H 1 6.716 0.020 . 3 . . . . 238 TYR HD2 . 15628 1 1276 . 1 1 104 104 TYR HE1 H 1 6.863 0.020 . 3 . . . . 238 TYR HE1 . 15628 1 1277 . 1 1 104 104 TYR HE2 H 1 6.863 0.020 . 3 . . . . 238 TYR HE2 . 15628 1 1278 . 1 1 104 104 TYR C C 13 175.043 0.400 . 1 . . . . 238 TYR C . 15628 1 1279 . 1 1 104 104 TYR CA C 13 57.627 0.400 . 1 . . . . 238 TYR CA . 15628 1 1280 . 1 1 104 104 TYR CB C 13 41.711 0.400 . 1 . . . . 238 TYR CB . 15628 1 1281 . 1 1 104 104 TYR CD1 C 13 132.294 0.400 . 1 . . . . 238 TYR CD1 . 15628 1 1282 . 1 1 104 104 TYR CE1 C 13 118.246 0.400 . 1 . . . . 238 TYR CE1 . 15628 1 1283 . 1 1 104 104 TYR N N 15 120.030 0.400 . 1 . . . . 238 TYR N . 15628 1 1284 . 1 1 105 105 HIS H H 1 10.070 0.020 . 1 . . . . 239 HIS HN . 15628 1 1285 . 1 1 105 105 HIS HA H 1 6.046 0.020 . 1 . . . . 239 HIS HA . 15628 1 1286 . 1 1 105 105 HIS HB2 H 1 3.103 0.020 . 2 . . . . 239 HIS HB2 . 15628 1 1287 . 1 1 105 105 HIS HB3 H 1 3.103 0.020 . 2 . . . . 239 HIS HB3 . 15628 1 1288 . 1 1 105 105 HIS HD2 H 1 7.077 0.020 . 1 . . . . 239 HIS HD2 . 15628 1 1289 . 1 1 105 105 HIS HE1 H 1 7.661 0.020 . 1 . . . . 239 HIS HE1 . 15628 1 1290 . 1 1 105 105 HIS C C 13 175.734 0.400 . 1 . . . . 239 HIS C . 15628 1 1291 . 1 1 105 105 HIS CA C 13 53.945 0.400 . 1 . . . . 239 HIS CA . 15628 1 1292 . 1 1 105 105 HIS CB C 13 32.450 0.400 . 1 . . . . 239 HIS CB . 15628 1 1293 . 1 1 105 105 HIS CD2 C 13 129.972 0.400 . 1 . . . . 239 HIS CD2 . 15628 1 1294 . 1 1 105 105 HIS CE1 C 13 136.760 0.400 . 1 . . . . 239 HIS CE1 . 15628 1 1295 . 1 1 105 105 HIS N N 15 119.504 0.400 . 1 . . . . 239 HIS N . 15628 1 1296 . 1 1 106 106 ILE H H 1 8.660 0.020 . 1 . . . . 240 ILE HN . 15628 1 1297 . 1 1 106 106 ILE HA H 1 4.120 0.020 . 1 . . . . 240 ILE HA . 15628 1 1298 . 1 1 106 106 ILE HB H 1 1.651 0.020 . 1 . . . . 240 ILE HB . 15628 1 1299 . 1 1 106 106 ILE HD11 H 1 0.924 0.020 . 1 . . . . 240 ILE HD1 . 15628 1 1300 . 1 1 106 106 ILE HD12 H 1 0.924 0.020 . 1 . . . . 240 ILE HD1 . 15628 1 1301 . 1 1 106 106 ILE HD13 H 1 0.924 0.020 . 1 . . . . 240 ILE HD1 . 15628 1 1302 . 1 1 106 106 ILE HG12 H 1 1.368 0.020 . 2 . . . . 240 ILE HG12 . 15628 1 1303 . 1 1 106 106 ILE HG13 H 1 0.986 0.020 . 2 . . . . 240 ILE HG13 . 15628 1 1304 . 1 1 106 106 ILE HG21 H 1 1.009 0.020 . 1 . . . . 240 ILE HG2 . 15628 1 1305 . 1 1 106 106 ILE HG22 H 1 1.009 0.020 . 1 . . . . 240 ILE HG2 . 15628 1 1306 . 1 1 106 106 ILE HG23 H 1 1.009 0.020 . 1 . . . . 240 ILE HG2 . 15628 1 1307 . 1 1 106 106 ILE C C 13 174.758 0.400 . 1 . . . . 240 ILE C . 15628 1 1308 . 1 1 106 106 ILE CA C 13 63.446 0.400 . 1 . . . . 240 ILE CA . 15628 1 1309 . 1 1 106 106 ILE CB C 13 40.786 0.400 . 1 . . . . 240 ILE CB . 15628 1 1310 . 1 1 106 106 ILE CD1 C 13 15.776 0.400 . 1 . . . . 240 ILE CD1 . 15628 1 1311 . 1 1 106 106 ILE CG1 C 13 31.491 0.400 . 1 . . . . 240 ILE CG1 . 15628 1 1312 . 1 1 106 106 ILE CG2 C 13 22.665 0.400 . 1 . . . . 240 ILE CG2 . 15628 1 1313 . 1 1 106 106 ILE N N 15 120.639 0.400 . 1 . . . . 240 ILE N . 15628 1 1314 . 1 1 107 107 ILE H H 1 9.033 0.020 . 1 . . . . 241 ILE HN . 15628 1 1315 . 1 1 107 107 ILE HA H 1 4.799 0.020 . 1 . . . . 241 ILE HA . 15628 1 1316 . 1 1 107 107 ILE HB H 1 1.280 0.020 . 1 . . . . 241 ILE HB . 15628 1 1317 . 1 1 107 107 ILE HD11 H 1 -0.006 0.020 . 1 . . . . 241 ILE HD1 . 15628 1 1318 . 1 1 107 107 ILE HD12 H 1 -0.006 0.020 . 1 . . . . 241 ILE HD1 . 15628 1 1319 . 1 1 107 107 ILE HD13 H 1 -0.006 0.020 . 1 . . . . 241 ILE HD1 . 15628 1 1320 . 1 1 107 107 ILE HG12 H 1 1.478 0.020 . 2 . . . . 241 ILE HG12 . 15628 1 1321 . 1 1 107 107 ILE HG13 H 1 0.592 0.020 . 2 . . . . 241 ILE HG13 . 15628 1 1322 . 1 1 107 107 ILE HG21 H 1 0.623 0.020 . 1 . . . . 241 ILE HG2 . 15628 1 1323 . 1 1 107 107 ILE HG22 H 1 0.623 0.020 . 1 . . . . 241 ILE HG2 . 15628 1 1324 . 1 1 107 107 ILE HG23 H 1 0.623 0.020 . 1 . . . . 241 ILE HG2 . 15628 1 1325 . 1 1 107 107 ILE C C 13 172.880 0.400 . 1 . . . . 241 ILE C . 15628 1 1326 . 1 1 107 107 ILE CA C 13 60.563 0.400 . 1 . . . . 241 ILE CA . 15628 1 1327 . 1 1 107 107 ILE CB C 13 41.652 0.400 . 1 . . . . 241 ILE CB . 15628 1 1328 . 1 1 107 107 ILE CD1 C 13 14.787 0.400 . 1 . . . . 241 ILE CD1 . 15628 1 1329 . 1 1 107 107 ILE CG1 C 13 27.877 0.400 . 1 . . . . 241 ILE CG1 . 15628 1 1330 . 1 1 107 107 ILE CG2 C 13 18.763 0.400 . 1 . . . . 241 ILE CG2 . 15628 1 1331 . 1 1 107 107 ILE N N 15 129.098 0.400 . 1 . . . . 241 ILE N . 15628 1 1332 . 1 1 108 108 LYS H H 1 8.692 0.020 . 1 . . . . 242 LYS HN . 15628 1 1333 . 1 1 108 108 LYS HA H 1 5.012 0.020 . 1 . . . . 242 LYS HA . 15628 1 1334 . 1 1 108 108 LYS HB2 H 1 0.561 0.020 . 2 . . . . 242 LYS HB2 . 15628 1 1335 . 1 1 108 108 LYS HB3 H 1 0.362 0.020 . 2 . . . . 242 LYS HB3 . 15628 1 1336 . 1 1 108 108 LYS HD2 H 1 1.121 0.020 . 2 . . . . 242 LYS HD2 . 15628 1 1337 . 1 1 108 108 LYS HD3 H 1 0.929 0.020 . 2 . . . . 242 LYS HD3 . 15628 1 1338 . 1 1 108 108 LYS HE2 H 1 2.653 0.020 . 2 . . . . 242 LYS HE2 . 15628 1 1339 . 1 1 108 108 LYS HE3 H 1 2.429 0.020 . 2 . . . . 242 LYS HE3 . 15628 1 1340 . 1 1 108 108 LYS HG2 H 1 0.817 0.020 . 2 . . . . 242 LYS HG2 . 15628 1 1341 . 1 1 108 108 LYS HG3 H 1 0.726 0.020 . 2 . . . . 242 LYS HG3 . 15628 1 1342 . 1 1 108 108 LYS C C 13 174.484 0.400 . 1 . . . . 242 LYS C . 15628 1 1343 . 1 1 108 108 LYS CA C 13 54.317 0.400 . 1 . . . . 242 LYS CA . 15628 1 1344 . 1 1 108 108 LYS CB C 13 35.619 0.400 . 1 . . . . 242 LYS CB . 15628 1 1345 . 1 1 108 108 LYS CD C 13 30.068 0.400 . 1 . . . . 242 LYS CD . 15628 1 1346 . 1 1 108 108 LYS CE C 13 41.401 0.400 . 1 . . . . 242 LYS CE . 15628 1 1347 . 1 1 108 108 LYS CG C 13 23.840 0.400 . 1 . . . . 242 LYS CG . 15628 1 1348 . 1 1 108 108 LYS N N 15 127.179 0.400 . 1 . . . . 242 LYS N . 15628 1 1349 . 1 1 109 109 ALA H H 1 7.816 0.020 . 1 . . . . 243 ALA HN . 15628 1 1350 . 1 1 109 109 ALA HA H 1 4.604 0.020 . 1 . . . . 243 ALA HA . 15628 1 1351 . 1 1 109 109 ALA HB1 H 1 1.324 0.020 . 1 . . . . 243 ALA HB . 15628 1 1352 . 1 1 109 109 ALA HB2 H 1 1.324 0.020 . 1 . . . . 243 ALA HB . 15628 1 1353 . 1 1 109 109 ALA HB3 H 1 1.324 0.020 . 1 . . . . 243 ALA HB . 15628 1 1354 . 1 1 109 109 ALA C C 13 176.231 0.400 . 1 . . . . 243 ALA C . 15628 1 1355 . 1 1 109 109 ALA CA C 13 50.505 0.400 . 1 . . . . 243 ALA CA . 15628 1 1356 . 1 1 109 109 ALA CB C 13 19.584 0.400 . 1 . . . . 243 ALA CB . 15628 1 1357 . 1 1 109 109 ALA N N 15 129.619 0.400 . 1 . . . . 243 ALA N . 15628 1 1358 . 1 1 110 110 ASP H H 1 7.578 0.020 . 1 . . . . 244 ASP HN . 15628 1 1359 . 1 1 110 110 ASP HA H 1 4.424 0.020 . 1 . . . . 244 ASP HA . 15628 1 1360 . 1 1 110 110 ASP HB2 H 1 2.490 0.020 . 2 . . . . 244 ASP HB2 . 15628 1 1361 . 1 1 110 110 ASP HB3 H 1 1.921 0.020 . 2 . . . . 244 ASP HB3 . 15628 1 1362 . 1 1 110 110 ASP C C 13 175.259 0.400 . 1 . . . . 244 ASP C . 15628 1 1363 . 1 1 110 110 ASP CA C 13 54.489 0.400 . 1 . . . . 244 ASP CA . 15628 1 1364 . 1 1 110 110 ASP CB C 13 42.693 0.400 . 1 . . . . 244 ASP CB . 15628 1 1365 . 1 1 110 110 ASP N N 15 125.434 0.400 . 1 . . . . 244 ASP N . 15628 1 1366 . 1 1 111 111 LYS H H 1 8.077 0.020 . 1 . . . . 245 LYS HN . 15628 1 1367 . 1 1 111 111 LYS HA H 1 3.991 0.020 . 1 . . . . 245 LYS HA . 15628 1 1368 . 1 1 111 111 LYS HB2 H 1 1.689 0.020 . 2 . . . . 245 LYS HB2 . 15628 1 1369 . 1 1 111 111 LYS HB3 H 1 1.594 0.020 . 2 . . . . 245 LYS HB3 . 15628 1 1370 . 1 1 111 111 LYS HD2 H 1 1.635 0.020 . 2 . . . . 245 LYS HD2 . 15628 1 1371 . 1 1 111 111 LYS HD3 H 1 1.635 0.020 . 2 . . . . 245 LYS HD3 . 15628 1 1372 . 1 1 111 111 LYS HG2 H 1 1.329 0.020 . 2 . . . . 245 LYS HG2 . 15628 1 1373 . 1 1 111 111 LYS HG3 H 1 1.329 0.020 . 2 . . . . 245 LYS HG3 . 15628 1 1374 . 1 1 111 111 LYS C C 13 181.349 0.400 . 1 . . . . 245 LYS C . 15628 1 1375 . 1 1 111 111 LYS CA C 13 58.242 0.400 . 1 . . . . 245 LYS CA . 15628 1 1376 . 1 1 111 111 LYS CB C 13 33.759 0.400 . 1 . . . . 245 LYS CB . 15628 1 1377 . 1 1 111 111 LYS CD C 13 29.264 0.400 . 1 . . . . 245 LYS CD . 15628 1 1378 . 1 1 111 111 LYS CG C 13 25.244 0.400 . 1 . . . . 245 LYS CG . 15628 1 1379 . 1 1 111 111 LYS N N 15 125.603 0.400 . 1 . . . . 245 LYS N . 15628 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 1254 15628 1 1 1255 15628 1 1 1256 15628 1 1 1257 15628 1 1 1258 15628 1 stop_ save_