data_18758 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18758 _Entry.Title ; Refined solution structure and dynamics of First Catalytic Cysteine Half-domain from mouse E1 enzyme ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-03 _Entry.Accession_date 2012-10-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Mariusz Jaremko . . . 18758 2 Lukasz Jaremko . . . 18758 3 Michal Nowakowski . . . 18758 4 Roman Szczepanowski . H. . 18758 5 Renata Filipek . . . 18758 6 Marek Wojciechowski . . . 18758 7 Matthias Bochtler . . . 18758 8 Andrzej Ejchart . . . 18758 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18758 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Beta-barrel architecture' . 18758 'Catalytic half-donain' . 18758 Dynamics . 18758 'Flexible thermini' . 18758 'Model-free Approach' . 18758 'Mouse E1 enzyme' . 18758 'Protein degradation' . 18758 'Structure refinement' . 18758 Ubiquitinylation . 18758 'Water Refinement' . 18758 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18758 heteronucl_NOEs 1 18758 heteronucl_T1_relaxation 1 18758 heteronucl_T2_relaxation 1 18758 order_parameters 1 18758 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 18758 '15N chemical shifts' 110 18758 '1H chemical shifts' 769 18758 'heteronuclear NOE values' 99 18758 'order parameters' 71 18758 'T1 relaxation values' 100 18758 'T2 relaxation values' 99 18758 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 . . 2014-05-05 2012-10-03 update BMRB 'update entry citation' 18758 1 . . 2013-09-16 2012-10-03 original author 'original release' 18758 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1Z7L 'Crystal structure of fragment of mouse ubiquitin-activating enzyme' 18758 PDB 2LZJ 'BMRB Entry Tracking System' 18758 PDB 3CMM 'Crystal Structure of the Uba1-Ubiquitin Complex' 18758 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18758 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24211821 _Citation.Full_citation . _Citation.Title 'NMR structural studies of the first catalytic half-domain of ubiquitin activating enzyme.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 185 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 69 _Citation.Page_last 78 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mariusz Jaremko . . . 18758 1 2 ukasz Jaremko . . . 18758 1 3 Micha Nowakowski . . . 18758 1 4 Marek Wojciechowski . . . 18758 1 5 Roman Szczepanowski . H. . 18758 1 6 Renata Panecka . . . 18758 1 7 Igor Zhukov . . . 18758 1 8 Matthias Bochtler . . . 18758 1 9 Andrzej Ejchart . . . 18758 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18758 _Assembly.ID 1 _Assembly.Name 'First Catalytic Cysteine Half-domain' _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 'First Catalytic Cysteine Half-domain' 1 $FCCH A . yes native no no . . . 18758 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FCCH _Entity.Sf_category entity _Entity.Sf_framecode FCCH _Entity.Entry_ID 18758 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; EFGEEMVLTDSNGEQPLSAM VSMVTKDNPGVVTCLDEARH GFETGDFVSFSEVQGMIQLN GCQPMEIKVLGPYTFSICDT SNFSDYIRGGIVSQVKVPKK ISFKSLPASLVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12195.902 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LZJ . "Refined Solution Structure And Dynamics Of First Catalytic Cysteine Half-domain From Mouse E1 Enzyme" . . . . . 100.00 112 100.00 100.00 6.50e-75 . . . . 18758 1 2 no PDB 2V31 . "Structure Of First Catalytic Cysteine Half-domain Of Mouse Ubiquitin-activating Enzyme" . . . . . 100.00 112 100.00 100.00 6.50e-75 . . . . 18758 1 3 no DBJ BAA01433 . "ubiquitin activating enzyme E1 [Mus musculus]" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 1 4 no DBJ BAC40121 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 1 5 no DBJ BAC40405 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 1 6 no DBJ BAE25369 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 1 7 no DBJ BAE42599 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 1 8 no GB AAH58630 . "Uba1 protein [Mus musculus]" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 1 9 no GB AAI38201 . "Ubiquitin-like modifier activating enzyme 1 [Mus musculus]" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 1 10 no GB AAI45985 . "Ubiquitin-like modifier activating enzyme 1 [Mus musculus]" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 1 11 no GB EDL00743 . "ubiquitin-activating enzyme E1, Chr X [Mus musculus]" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 1 12 no REF NP_001129557 . "ubiquitin-like modifier-activating enzyme 1 isoform 2 [Mus musculus]" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 1 13 no REF NP_001263245 . "ubiquitin-like modifier-activating enzyme 1 isoform 2 [Mus musculus]" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 1 14 no REF NP_001263246 . "ubiquitin-like modifier-activating enzyme 1 isoform 2 [Mus musculus]" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 1 15 no REF NP_033483 . "ubiquitin-like modifier-activating enzyme 1 isoform 1 [Mus musculus]" . . . . . 100.00 1118 99.11 100.00 9.10e-68 . . . . 18758 1 16 no SP Q02053 . "RecName: Full=Ubiquitin-like modifier-activating enzyme 1; AltName: Full=Ubiquitin-activating enzyme E1; AltName: Full=Ubiquiti" . . . . . 100.00 1058 99.11 100.00 5.66e-68 . . . . 18758 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 1 201 GLU . 18758 1 2 202 PHE . 18758 1 3 203 GLY . 18758 1 4 204 GLU . 18758 1 5 205 GLU . 18758 1 6 206 MET . 18758 1 7 207 VAL . 18758 1 8 208 LEU . 18758 1 9 209 THR . 18758 1 10 210 ASP . 18758 1 11 211 SER . 18758 1 12 212 ASN . 18758 1 13 213 GLY . 18758 1 14 214 GLU . 18758 1 15 215 GLN . 18758 1 16 216 PRO . 18758 1 17 217 LEU . 18758 1 18 218 SER . 18758 1 19 219 ALA . 18758 1 20 220 MET . 18758 1 21 221 VAL . 18758 1 22 222 SER . 18758 1 23 223 MET . 18758 1 24 224 VAL . 18758 1 25 225 THR . 18758 1 26 226 LYS . 18758 1 27 227 ASP . 18758 1 28 228 ASN . 18758 1 29 229 PRO . 18758 1 30 230 GLY . 18758 1 31 231 VAL . 18758 1 32 232 VAL . 18758 1 33 233 THR . 18758 1 34 234 CYS . 18758 1 35 235 LEU . 18758 1 36 236 ASP . 18758 1 37 237 GLU . 18758 1 38 238 ALA . 18758 1 39 239 ARG . 18758 1 40 240 HIS . 18758 1 41 241 GLY . 18758 1 42 242 PHE . 18758 1 43 243 GLU . 18758 1 44 244 THR . 18758 1 45 245 GLY . 18758 1 46 246 ASP . 18758 1 47 247 PHE . 18758 1 48 248 VAL . 18758 1 49 249 SER . 18758 1 50 250 PHE . 18758 1 51 251 SER . 18758 1 52 252 GLU . 18758 1 53 253 VAL . 18758 1 54 254 GLN . 18758 1 55 255 GLY . 18758 1 56 256 MET . 18758 1 57 257 ILE . 18758 1 58 258 GLN . 18758 1 59 259 LEU . 18758 1 60 260 ASN . 18758 1 61 261 GLY . 18758 1 62 262 CYS . 18758 1 63 263 GLN . 18758 1 64 264 PRO . 18758 1 65 265 MET . 18758 1 66 266 GLU . 18758 1 67 267 ILE . 18758 1 68 268 LYS . 18758 1 69 269 VAL . 18758 1 70 270 LEU . 18758 1 71 271 GLY . 18758 1 72 272 PRO . 18758 1 73 273 TYR . 18758 1 74 274 THR . 18758 1 75 275 PHE . 18758 1 76 276 SER . 18758 1 77 277 ILE . 18758 1 78 278 CYS . 18758 1 79 279 ASP . 18758 1 80 280 THR . 18758 1 81 281 SER . 18758 1 82 282 ASN . 18758 1 83 283 PHE . 18758 1 84 284 SER . 18758 1 85 285 ASP . 18758 1 86 286 TYR . 18758 1 87 287 ILE . 18758 1 88 288 ARG . 18758 1 89 289 GLY . 18758 1 90 290 GLY . 18758 1 91 291 ILE . 18758 1 92 292 VAL . 18758 1 93 293 SER . 18758 1 94 294 GLN . 18758 1 95 295 VAL . 18758 1 96 296 LYS . 18758 1 97 297 VAL . 18758 1 98 298 PRO . 18758 1 99 299 LYS . 18758 1 100 300 LYS . 18758 1 101 301 ILE . 18758 1 102 302 SER . 18758 1 103 303 PHE . 18758 1 104 304 LYS . 18758 1 105 305 SER . 18758 1 106 306 LEU . 18758 1 107 307 PRO . 18758 1 108 308 ALA . 18758 1 109 309 SER . 18758 1 110 310 LEU . 18758 1 111 311 VAL . 18758 1 112 312 GLU . 18758 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 . GLU 1 1 18758 1 . PHE 2 2 18758 1 . GLY 3 3 18758 1 . GLU 4 4 18758 1 . GLU 5 5 18758 1 . MET 6 6 18758 1 . VAL 7 7 18758 1 . LEU 8 8 18758 1 . THR 9 9 18758 1 . ASP 10 10 18758 1 . SER 11 11 18758 1 . ASN 12 12 18758 1 . GLY 13 13 18758 1 . GLU 14 14 18758 1 . GLN 15 15 18758 1 . PRO 16 16 18758 1 . LEU 17 17 18758 1 . SER 18 18 18758 1 . ALA 19 19 18758 1 . MET 20 20 18758 1 . VAL 21 21 18758 1 . SER 22 22 18758 1 . MET 23 23 18758 1 . VAL 24 24 18758 1 . THR 25 25 18758 1 . LYS 26 26 18758 1 . ASP 27 27 18758 1 . ASN 28 28 18758 1 . PRO 29 29 18758 1 . GLY 30 30 18758 1 . VAL 31 31 18758 1 . VAL 32 32 18758 1 . THR 33 33 18758 1 . CYS 34 34 18758 1 . LEU 35 35 18758 1 . ASP 36 36 18758 1 . GLU 37 37 18758 1 . ALA 38 38 18758 1 . ARG 39 39 18758 1 . HIS 40 40 18758 1 . GLY 41 41 18758 1 . PHE 42 42 18758 1 . GLU 43 43 18758 1 . THR 44 44 18758 1 . GLY 45 45 18758 1 . ASP 46 46 18758 1 . PHE 47 47 18758 1 . VAL 48 48 18758 1 . SER 49 49 18758 1 . PHE 50 50 18758 1 . SER 51 51 18758 1 . GLU 52 52 18758 1 . VAL 53 53 18758 1 . GLN 54 54 18758 1 . GLY 55 55 18758 1 . MET 56 56 18758 1 . ILE 57 57 18758 1 . GLN 58 58 18758 1 . LEU 59 59 18758 1 . ASN 60 60 18758 1 . GLY 61 61 18758 1 . CYS 62 62 18758 1 . GLN 63 63 18758 1 . PRO 64 64 18758 1 . MET 65 65 18758 1 . GLU 66 66 18758 1 . ILE 67 67 18758 1 . LYS 68 68 18758 1 . VAL 69 69 18758 1 . LEU 70 70 18758 1 . GLY 71 71 18758 1 . PRO 72 72 18758 1 . TYR 73 73 18758 1 . THR 74 74 18758 1 . PHE 75 75 18758 1 . SER 76 76 18758 1 . ILE 77 77 18758 1 . CYS 78 78 18758 1 . ASP 79 79 18758 1 . THR 80 80 18758 1 . SER 81 81 18758 1 . ASN 82 82 18758 1 . PHE 83 83 18758 1 . SER 84 84 18758 1 . ASP 85 85 18758 1 . TYR 86 86 18758 1 . ILE 87 87 18758 1 . ARG 88 88 18758 1 . GLY 89 89 18758 1 . GLY 90 90 18758 1 . ILE 91 91 18758 1 . VAL 92 92 18758 1 . SER 93 93 18758 1 . GLN 94 94 18758 1 . VAL 95 95 18758 1 . LYS 96 96 18758 1 . VAL 97 97 18758 1 . PRO 98 98 18758 1 . LYS 99 99 18758 1 . LYS 100 100 18758 1 . ILE 101 101 18758 1 . SER 102 102 18758 1 . PHE 103 103 18758 1 . LYS 104 104 18758 1 . SER 105 105 18758 1 . LEU 106 106 18758 1 . PRO 107 107 18758 1 . ALA 108 108 18758 1 . SER 109 109 18758 1 . LEU 110 110 18758 1 . VAL 111 111 18758 1 . GLU 112 112 18758 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 18758 _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 $FCCH . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18758 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 18758 _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 $FCCH . 'recombinant technology' 'Saccharomyces cerevisiae' . . . Saccharomyces cerevisiae . . . . . . . . . . . . . . . . 'pRS416 and pRS413' . . . . . . 18758 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18758 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'First Cysteine Catalytic Half-domain' '[U-100% 13C; U-100% 15N]' . . 1 $FCCH . . 1 . . mM . . . . 18758 1 2 H2O 'natural abundance' . . . . . . 90 . . mM . . . . 18758 1 3 D2O 'natural abundance' . . . . . . 10 . . mM . . . . 18758 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18758 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'First Cysteine Catalytic Half-domain' '[U-100% 15N]' . . 1 $FCCH . . 1 . . mM . . . . 18758 2 2 H2O 'natural abundance' . . . . . . 90 . . mM . . . . 18758 2 3 D2O 'natural abundance' . . . . . . 10 . . mM . . . . 18758 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 18758 _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' 50 . mM 18758 1 pH 6.5 . pH 18758 1 pressure 1 . atm 18758 1 temperature 298 . K 18758 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18758 _Sample_condition_list.ID 2 _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' 50 . mM 18758 2 pH 6.5 . pH 18758 2 pressure 1 . atm 18758 2 temperature 298 . K 18758 2 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18758 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.26 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18758 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18758 1 'structure solution' 18758 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18758 _Software.ID 2 _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' . . 18758 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18758 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18758 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18758 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18758 3 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 18758 _Software.ID 4 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 18758 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18758 4 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 18758 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Spectra for backbone and side-chain assignment. NOESY spectra.' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18758 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '2D correlation spectra.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18758 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Relaxation measurements' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 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 18758 _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 UnityPlus . 500 'Spectra for backbone and side-chain assignment. NOESY spectra.' . . 18758 1 2 spectrometer_2 Bruker Avance . 700 '2D correlation spectra.' . . 18758 1 3 spectrometer_3 Varian INOVA . 400 'Relaxation measurements' . . 18758 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 18758 _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 . . . . . . . . . . . . . . . . . . . . . 18758 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18758 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 18758 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18758 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18758 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18758 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 18758 _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' . . . 18758 1 2 '2D 1H-13C HSQC aliphatic' . . . 18758 1 3 '2D 1H-13C HSQC aromatic' . . . 18758 1 4 '3D HNCO' . . . 18758 1 5 '3D HNCA' . . . 18758 1 6 '3D HNCACB' . . . 18758 1 7 '3D HNHA' . . . 18758 1 8 '3D HBHA(CO)NH' . . . 18758 1 9 '3D HCCH-TOCSY' . . . 18758 1 10 '3D HN(CO)CA' . . . 18758 1 11 '3D CBCA(CO)NH' . . . 18758 1 12 '3D 1H-15N NOESY' . . . 18758 1 13 '3D 1H-13C NOESY aliphatic' . . . 18758 1 14 '3D 1H-13C NOESY aromatic' . . . 18758 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PHE H H 1 8.290 0.020 . 1 . . . A 202 PHE H . 18758 1 2 . 1 1 2 2 PHE HA H 1 4.610 0.020 . 1 . . . A 202 PHE HA . 18758 1 3 . 1 1 2 2 PHE HB2 H 1 2.980 0.020 . 2 . . . A 202 PHE HB2 . 18758 1 4 . 1 1 2 2 PHE HB3 H 1 3.170 0.020 . 2 . . . A 202 PHE HB3 . 18758 1 5 . 1 1 2 2 PHE HD1 H 1 7.265 0.020 . 3 . . . A 202 PHE HD1 . 18758 1 6 . 1 1 2 2 PHE HD2 H 1 7.267 0.020 . 3 . . . A 202 PHE HD2 . 18758 1 7 . 1 1 2 2 PHE HE1 H 1 7.217 0.020 . 3 . . . A 202 PHE HE1 . 18758 1 8 . 1 1 2 2 PHE HE2 H 1 7.213 0.020 . 3 . . . A 202 PHE HE2 . 18758 1 9 . 1 1 2 2 PHE HZ H 1 7.290 0.020 . 1 . . . A 202 PHE HZ . 18758 1 10 . 1 1 2 2 PHE C C 13 176.200 0.3 . 1 . . . A 202 PHE C . 18758 1 11 . 1 1 2 2 PHE CA C 13 57.800 0.3 . 1 . . . A 202 PHE CA . 18758 1 12 . 1 1 2 2 PHE CB C 13 39.500 0.3 . 1 . . . A 202 PHE CB . 18758 1 13 . 1 1 2 2 PHE CD1 C 13 129.836 0.3 . 1 . . . A 202 PHE CD1 . 18758 1 14 . 1 1 2 2 PHE CD2 C 13 129.813 0.3 . 1 . . . A 202 PHE CD2 . 18758 1 15 . 1 1 2 2 PHE CE1 C 13 131.103 0.3 . 1 . . . A 202 PHE CE1 . 18758 1 16 . 1 1 2 2 PHE CE2 C 13 131.000 0.3 . 1 . . . A 202 PHE CE2 . 18758 1 17 . 1 1 2 2 PHE CZ C 13 131.204 0.3 . 1 . . . A 202 PHE CZ . 18758 1 18 . 1 1 2 2 PHE N N 15 120.299 0.3 . 1 . . . A 202 PHE N . 18758 1 19 . 1 1 3 3 GLY H H 1 8.264 0.020 . 1 . . . A 203 GLY H . 18758 1 20 . 1 1 3 3 GLY HA2 H 1 3.890 0.020 . 1 . . . A 203 GLY HA2 . 18758 1 21 . 1 1 3 3 GLY HA3 H 1 3.890 0.020 . 1 . . . A 203 GLY HA3 . 18758 1 22 . 1 1 3 3 GLY C C 13 174.300 0.3 . 1 . . . A 203 GLY C . 18758 1 23 . 1 1 3 3 GLY CA C 13 45.400 0.3 . 1 . . . A 203 GLY CA . 18758 1 24 . 1 1 3 3 GLY N N 15 110.325 0.3 . 1 . . . A 203 GLY N . 18758 1 25 . 1 1 4 4 GLU H H 1 8.390 0.020 . 1 . . . A 204 GLU H . 18758 1 26 . 1 1 4 4 GLU HA H 1 4.280 0.020 . 1 . . . A 204 GLU HA . 18758 1 27 . 1 1 4 4 GLU HB2 H 1 1.890 0.020 . 2 . . . A 204 GLU HB2 . 18758 1 28 . 1 1 4 4 GLU HB3 H 1 2.040 0.020 . 2 . . . A 204 GLU HB3 . 18758 1 29 . 1 1 4 4 GLU HG2 H 1 2.211 0.020 . 2 . . . A 204 GLU HG2 . 18758 1 30 . 1 1 4 4 GLU HG3 H 1 2.206 0.020 . 2 . . . A 204 GLU HG3 . 18758 1 31 . 1 1 4 4 GLU C C 13 176.500 0.3 . 1 . . . A 204 GLU C . 18758 1 32 . 1 1 4 4 GLU CA C 13 56.600 0.3 . 1 . . . A 204 GLU CA . 18758 1 33 . 1 1 4 4 GLU CB C 13 30.500 0.3 . 1 . . . A 204 GLU CB . 18758 1 34 . 1 1 4 4 GLU CG C 13 36.112 0.3 . 1 . . . A 204 GLU CG . 18758 1 35 . 1 1 4 4 GLU N N 15 120.500 0.3 . 1 . . . A 204 GLU N . 18758 1 36 . 1 1 5 5 GLU H H 1 8.510 0.020 . 1 . . . A 205 GLU H . 18758 1 37 . 1 1 5 5 GLU HA H 1 4.230 0.020 . 1 . . . A 205 GLU HA . 18758 1 38 . 1 1 5 5 GLU HB2 H 1 1.900 0.020 . 2 . . . A 205 GLU HB2 . 18758 1 39 . 1 1 5 5 GLU HB3 H 1 2.000 0.020 . 2 . . . A 205 GLU HB3 . 18758 1 40 . 1 1 5 5 GLU HG2 H 1 2.206 0.020 . 2 . . . A 205 GLU HG2 . 18758 1 41 . 1 1 5 5 GLU HG3 H 1 2.221 0.020 . 2 . . . A 205 GLU HG3 . 18758 1 42 . 1 1 5 5 GLU C C 13 176.300 0.3 . 1 . . . A 205 GLU C . 18758 1 43 . 1 1 5 5 GLU CA C 13 56.700 0.3 . 1 . . . A 205 GLU CA . 18758 1 44 . 1 1 5 5 GLU CB C 13 30.200 0.3 . 1 . . . A 205 GLU CB . 18758 1 45 . 1 1 5 5 GLU CG C 13 36.037 0.3 . 1 . . . A 205 GLU CG . 18758 1 46 . 1 1 5 5 GLU N N 15 121.326 0.3 . 1 . . . A 205 GLU N . 18758 1 47 . 1 1 6 6 MET H H 1 8.280 0.020 . 1 . . . A 206 MET H . 18758 1 48 . 1 1 6 6 MET HA H 1 4.430 0.020 . 1 . . . A 206 MET HA . 18758 1 49 . 1 1 6 6 MET HB2 H 1 1.950 0.020 . 1 . . . A 206 MET HB2 . 18758 1 50 . 1 1 6 6 MET HB3 H 1 1.950 0.020 . 1 . . . A 206 MET HB3 . 18758 1 51 . 1 1 6 6 MET HG2 H 1 2.280 0.020 . 2 . . . A 206 MET HG2 . 18758 1 52 . 1 1 6 6 MET HG3 H 1 2.298 0.020 . 2 . . . A 206 MET HG3 . 18758 1 53 . 1 1 6 6 MET HE1 H 1 2.098 0.020 . 1 . . . A 206 MET HE1 . 18758 1 54 . 1 1 6 6 MET HE2 H 1 2.098 0.020 . 1 . . . A 206 MET HE2 . 18758 1 55 . 1 1 6 6 MET HE3 H 1 2.098 0.020 . 1 . . . A 206 MET HE3 . 18758 1 56 . 1 1 6 6 MET C C 13 175.700 0.3 . 1 . . . A 206 MET C . 18758 1 57 . 1 1 6 6 MET CA C 13 55.600 0.3 . 1 . . . A 206 MET CA . 18758 1 58 . 1 1 6 6 MET CB C 13 33.000 0.3 . 1 . . . A 206 MET CB . 18758 1 59 . 1 1 6 6 MET CG C 13 32.335 0.3 . 1 . . . A 206 MET CG . 18758 1 60 . 1 1 6 6 MET CE C 13 16.928 0.3 . 1 . . . A 206 MET CE . 18758 1 61 . 1 1 6 6 MET N N 15 121.575 0.3 . 1 . . . A 206 MET N . 18758 1 62 . 1 1 7 7 VAL H H 1 8.130 0.020 . 1 . . . A 207 VAL H . 18758 1 63 . 1 1 7 7 VAL HA H 1 4.090 0.020 . 1 . . . A 207 VAL HA . 18758 1 64 . 1 1 7 7 VAL HB H 1 2.010 0.020 . 1 . . . A 207 VAL HB . 18758 1 65 . 1 1 7 7 VAL HG11 H 1 0.880 0.020 . 1 . . . A 207 VAL HG11 . 18758 1 66 . 1 1 7 7 VAL HG12 H 1 0.880 0.020 . 1 . . . A 207 VAL HG12 . 18758 1 67 . 1 1 7 7 VAL HG13 H 1 0.880 0.020 . 1 . . . A 207 VAL HG13 . 18758 1 68 . 1 1 7 7 VAL HG21 H 1 0.900 0.020 . 1 . . . A 207 VAL HG21 . 18758 1 69 . 1 1 7 7 VAL HG22 H 1 0.900 0.020 . 1 . . . A 207 VAL HG22 . 18758 1 70 . 1 1 7 7 VAL HG23 H 1 0.900 0.020 . 1 . . . A 207 VAL HG23 . 18758 1 71 . 1 1 7 7 VAL C C 13 175.900 0.3 . 1 . . . A 207 VAL C . 18758 1 72 . 1 1 7 7 VAL CA C 13 62.300 0.3 . 1 . . . A 207 VAL CA . 18758 1 73 . 1 1 7 7 VAL CB C 13 32.800 0.3 . 1 . . . A 207 VAL CB . 18758 1 74 . 1 1 7 7 VAL CG1 C 13 21.200 0.3 . 1 . . . A 207 VAL CG1 . 18758 1 75 . 1 1 7 7 VAL CG2 C 13 20.600 0.3 . 1 . . . A 207 VAL CG2 . 18758 1 76 . 1 1 7 7 VAL N N 15 122.300 0.3 . 1 . . . A 207 VAL N . 18758 1 77 . 1 1 8 8 LEU H H 1 8.362 0.020 . 1 . . . A 208 LEU H . 18758 1 78 . 1 1 8 8 LEU HA H 1 4.450 0.020 . 1 . . . A 208 LEU HA . 18758 1 79 . 1 1 8 8 LEU HB2 H 1 1.600 0.020 . 1 . . . A 208 LEU HB2 . 18758 1 80 . 1 1 8 8 LEU HB3 H 1 1.600 0.020 . 1 . . . A 208 LEU HB3 . 18758 1 81 . 1 1 8 8 LEU HG H 1 1.676 0.020 . 1 . . . A 208 LEU HG . 18758 1 82 . 1 1 8 8 LEU HD11 H 1 0.910 0.020 . 1 . . . A 208 LEU HD11 . 18758 1 83 . 1 1 8 8 LEU HD12 H 1 0.910 0.020 . 1 . . . A 208 LEU HD12 . 18758 1 84 . 1 1 8 8 LEU HD13 H 1 0.910 0.020 . 1 . . . A 208 LEU HD13 . 18758 1 85 . 1 1 8 8 LEU HD21 H 1 0.850 0.020 . 1 . . . A 208 LEU HD21 . 18758 1 86 . 1 1 8 8 LEU HD22 H 1 0.850 0.020 . 1 . . . A 208 LEU HD22 . 18758 1 87 . 1 1 8 8 LEU HD23 H 1 0.850 0.020 . 1 . . . A 208 LEU HD23 . 18758 1 88 . 1 1 8 8 LEU C C 13 177.300 0.3 . 1 . . . A 208 LEU C . 18758 1 89 . 1 1 8 8 LEU CA C 13 55.000 0.3 . 1 . . . A 208 LEU CA . 18758 1 90 . 1 1 8 8 LEU CB C 13 42.400 0.3 . 1 . . . A 208 LEU CB . 18758 1 91 . 1 1 8 8 LEU CG C 13 26.924 0.3 . 1 . . . A 208 LEU CG . 18758 1 92 . 1 1 8 8 LEU CD1 C 13 25.100 0.3 . 1 . . . A 208 LEU CD1 . 18758 1 93 . 1 1 8 8 LEU CD2 C 13 23.500 0.3 . 1 . . . A 208 LEU CD2 . 18758 1 94 . 1 1 8 8 LEU N N 15 126.441 0.3 . 1 . . . A 208 LEU N . 18758 1 95 . 1 1 9 9 THR H H 1 8.087 0.020 . 1 . . . A 209 THR H . 18758 1 96 . 1 1 9 9 THR HA H 1 4.350 0.020 . 1 . . . A 209 THR HA . 18758 1 97 . 1 1 9 9 THR HB H 1 4.203 0.020 . 1 . . . A 209 THR HB . 18758 1 98 . 1 1 9 9 THR HG21 H 1 1.155 0.020 . 1 . . . A 209 THR HG21 . 18758 1 99 . 1 1 9 9 THR HG22 H 1 1.155 0.020 . 1 . . . A 209 THR HG22 . 18758 1 100 . 1 1 9 9 THR HG23 H 1 1.155 0.020 . 1 . . . A 209 THR HG23 . 18758 1 101 . 1 1 9 9 THR C C 13 174.200 0.3 . 1 . . . A 209 THR C . 18758 1 102 . 1 1 9 9 THR CA C 13 61.600 0.3 . 1 . . . A 209 THR CA . 18758 1 103 . 1 1 9 9 THR CB C 13 69.925 0.3 . 1 . . . A 209 THR CB . 18758 1 104 . 1 1 9 9 THR CG2 C 13 21.500 0.3 . 1 . . . A 209 THR CG2 . 18758 1 105 . 1 1 9 9 THR N N 15 114.752 0.3 . 1 . . . A 209 THR N . 18758 1 106 . 1 1 10 10 ASP H H 1 8.324 0.020 . 1 . . . A 210 ASP H . 18758 1 107 . 1 1 10 10 ASP HA H 1 4.640 0.020 . 1 . . . A 210 ASP HA . 18758 1 108 . 1 1 10 10 ASP HB2 H 1 2.680 0.020 . 1 . . . A 210 ASP HB2 . 18758 1 109 . 1 1 10 10 ASP HB3 H 1 2.680 0.020 . 1 . . . A 210 ASP HB3 . 18758 1 110 . 1 1 10 10 ASP C C 13 176.500 0.3 . 1 . . . A 210 ASP C . 18758 1 111 . 1 1 10 10 ASP CA C 13 54.300 0.3 . 1 . . . A 210 ASP CA . 18758 1 112 . 1 1 10 10 ASP CB C 13 41.400 0.3 . 1 . . . A 210 ASP CB . 18758 1 113 . 1 1 10 10 ASP N N 15 122.500 0.3 . 1 . . . A 210 ASP N . 18758 1 114 . 1 1 11 11 SER H H 1 8.295 0.020 . 1 . . . A 211 SER H . 18758 1 115 . 1 1 11 11 SER HA H 1 4.430 0.020 . 1 . . . A 211 SER HA . 18758 1 116 . 1 1 11 11 SER HB2 H 1 3.880 0.020 . 1 . . . A 211 SER HB2 . 18758 1 117 . 1 1 11 11 SER HB3 H 1 3.880 0.020 . 1 . . . A 211 SER HB3 . 18758 1 118 . 1 1 11 11 SER C C 13 174.700 0.3 . 1 . . . A 211 SER C . 18758 1 119 . 1 1 11 11 SER CA C 13 58.600 0.3 . 1 . . . A 211 SER CA . 18758 1 120 . 1 1 11 11 SER CB C 13 63.700 0.3 . 1 . . . A 211 SER CB . 18758 1 121 . 1 1 11 11 SER N N 15 116.300 0.3 . 1 . . . A 211 SER N . 18758 1 122 . 1 1 12 12 ASN H H 1 8.500 0.020 . 1 . . . A 212 ASN H . 18758 1 123 . 1 1 12 12 ASN HA H 1 4.730 0.020 . 1 . . . A 212 ASN HA . 18758 1 124 . 1 1 12 12 ASN HB2 H 1 2.810 0.020 . 1 . . . A 212 ASN HB2 . 18758 1 125 . 1 1 12 12 ASN HB3 H 1 2.810 0.020 . 1 . . . A 212 ASN HB3 . 18758 1 126 . 1 1 12 12 ASN C C 13 175.800 0.3 . 1 . . . A 212 ASN C . 18758 1 127 . 1 1 12 12 ASN CA C 13 53.600 0.3 . 1 . . . A 212 ASN CA . 18758 1 128 . 1 1 12 12 ASN CB C 13 39.000 0.3 . 1 . . . A 212 ASN CB . 18758 1 129 . 1 1 12 12 ASN N N 15 120.626 0.3 . 1 . . . A 212 ASN N . 18758 1 130 . 1 1 13 13 GLY H H 1 8.278 0.020 . 1 . . . A 213 GLY H . 18758 1 131 . 1 1 13 13 GLY HA2 H 1 3.930 0.020 . 1 . . . A 213 GLY HA2 . 18758 1 132 . 1 1 13 13 GLY HA3 H 1 3.930 0.020 . 1 . . . A 213 GLY HA3 . 18758 1 133 . 1 1 13 13 GLY C C 13 174.100 0.3 . 1 . . . A 213 GLY C . 18758 1 134 . 1 1 13 13 GLY CA C 13 45.400 0.3 . 1 . . . A 213 GLY CA . 18758 1 135 . 1 1 13 13 GLY N N 15 108.767 0.3 . 1 . . . A 213 GLY N . 18758 1 136 . 1 1 14 14 GLU H H 1 8.207 0.020 . 1 . . . A 214 GLU H . 18758 1 137 . 1 1 14 14 GLU HA H 1 4.270 0.020 . 1 . . . A 214 GLU HA . 18758 1 138 . 1 1 14 14 GLU HB2 H 1 1.920 0.020 . 2 . . . A 214 GLU HB2 . 18758 1 139 . 1 1 14 14 GLU HB3 H 1 2.000 0.020 . 2 . . . A 214 GLU HB3 . 18758 1 140 . 1 1 14 14 GLU HG2 H 1 2.207 0.020 . 2 . . . A 214 GLU HG2 . 18758 1 141 . 1 1 14 14 GLU HG3 H 1 2.232 0.020 . 2 . . . A 214 GLU HG3 . 18758 1 142 . 1 1 14 14 GLU C C 13 176.300 0.3 . 1 . . . A 214 GLU C . 18758 1 143 . 1 1 14 14 GLU CA C 13 56.400 0.3 . 1 . . . A 214 GLU CA . 18758 1 144 . 1 1 14 14 GLU CB C 13 30.500 0.3 . 1 . . . A 214 GLU CB . 18758 1 145 . 1 1 14 14 GLU CG C 13 36.249 0.3 . 1 . . . A 214 GLU CG . 18758 1 146 . 1 1 14 14 GLU N N 15 120.375 0.3 . 1 . . . A 214 GLU N . 18758 1 147 . 1 1 15 15 GLN H H 1 8.410 0.020 . 1 . . . A 215 GLN H . 18758 1 148 . 1 1 15 15 GLN HA H 1 4.590 0.020 . 1 . . . A 215 GLN HA . 18758 1 149 . 1 1 15 15 GLN HB2 H 1 1.925 0.020 . 2 . . . A 215 GLN HB2 . 18758 1 150 . 1 1 15 15 GLN HB3 H 1 2.073 0.020 . 2 . . . A 215 GLN HB3 . 18758 1 151 . 1 1 15 15 GLN HG2 H 1 1.734 0.020 . 1 . . . A 215 GLN HG2 . 18758 1 152 . 1 1 15 15 GLN HG3 H 1 1.734 0.020 . 1 . . . A 215 GLN HG3 . 18758 1 153 . 1 1 15 15 GLN CA C 13 53.600 0.3 . 1 . . . A 215 GLN CA . 18758 1 154 . 1 1 15 15 GLN CB C 13 28.870 0.3 . 1 . . . A 215 GLN CB . 18758 1 155 . 1 1 15 15 GLN CG C 13 33.800 0.3 . 1 . . . A 215 GLN CG . 18758 1 156 . 1 1 15 15 GLN N N 15 122.350 0.3 . 1 . . . A 215 GLN N . 18758 1 157 . 1 1 16 16 PRO HA H 1 4.430 0.020 . 1 . . . A 216 PRO HA . 18758 1 158 . 1 1 16 16 PRO HB2 H 1 2.300 0.020 . 2 . . . A 216 PRO HB2 . 18758 1 159 . 1 1 16 16 PRO HB3 H 1 1.970 0.020 . 2 . . . A 216 PRO HB3 . 18758 1 160 . 1 1 16 16 PRO HG2 H 1 2.290 0.020 . 1 . . . A 216 PRO HG2 . 18758 1 161 . 1 1 16 16 PRO HG3 H 1 2.290 0.020 . 1 . . . A 216 PRO HG3 . 18758 1 162 . 1 1 16 16 PRO HD2 H 1 3.710 0.020 . 2 . . . A 216 PRO HD2 . 18758 1 163 . 1 1 16 16 PRO HD3 H 1 3.800 0.020 . 2 . . . A 216 PRO HD3 . 18758 1 164 . 1 1 16 16 PRO C C 13 176.700 0.3 . 1 . . . A 216 PRO C . 18758 1 165 . 1 1 16 16 PRO CA C 13 62.800 0.3 . 1 . . . A 216 PRO CA . 18758 1 166 . 1 1 16 16 PRO CB C 13 32.700 0.3 . 1 . . . A 216 PRO CB . 18758 1 167 . 1 1 16 16 PRO CG C 13 27.500 0.3 . 1 . . . A 216 PRO CG . 18758 1 168 . 1 1 16 16 PRO CD C 13 50.800 0.3 . 1 . . . A 216 PRO CD . 18758 1 169 . 1 1 17 17 LEU H H 1 8.570 0.020 . 1 . . . A 217 LEU H . 18758 1 170 . 1 1 17 17 LEU HA H 1 4.500 0.020 . 1 . . . A 217 LEU HA . 18758 1 171 . 1 1 17 17 LEU HB2 H 1 1.601 0.020 . 2 . . . A 217 LEU HB2 . 18758 1 172 . 1 1 17 17 LEU HB3 H 1 1.713 0.020 . 2 . . . A 217 LEU HB3 . 18758 1 173 . 1 1 17 17 LEU HG H 1 1.682 0.020 . 1 . . . A 217 LEU HG . 18758 1 174 . 1 1 17 17 LEU HD11 H 1 0.970 0.020 . 1 . . . A 217 LEU HD11 . 18758 1 175 . 1 1 17 17 LEU HD12 H 1 0.970 0.020 . 1 . . . A 217 LEU HD12 . 18758 1 176 . 1 1 17 17 LEU HD13 H 1 0.970 0.020 . 1 . . . A 217 LEU HD13 . 18758 1 177 . 1 1 17 17 LEU HD21 H 1 0.880 0.020 . 1 . . . A 217 LEU HD21 . 18758 1 178 . 1 1 17 17 LEU HD22 H 1 0.880 0.020 . 1 . . . A 217 LEU HD22 . 18758 1 179 . 1 1 17 17 LEU HD23 H 1 0.880 0.020 . 1 . . . A 217 LEU HD23 . 18758 1 180 . 1 1 17 17 LEU C C 13 176.200 0.3 . 1 . . . A 217 LEU C . 18758 1 181 . 1 1 17 17 LEU CA C 13 55.300 0.3 . 1 . . . A 217 LEU CA . 18758 1 182 . 1 1 17 17 LEU CB C 13 42.980 0.3 . 1 . . . A 217 LEU CB . 18758 1 183 . 1 1 17 17 LEU CG C 13 27.100 0.3 . 1 . . . A 217 LEU CG . 18758 1 184 . 1 1 17 17 LEU CD1 C 13 25.300 0.3 . 1 . . . A 217 LEU CD1 . 18758 1 185 . 1 1 17 17 LEU CD2 C 13 23.500 0.3 . 1 . . . A 217 LEU CD2 . 18758 1 186 . 1 1 17 17 LEU N N 15 124.300 0.3 . 1 . . . A 217 LEU N . 18758 1 187 . 1 1 18 18 SER H H 1 8.260 0.020 . 1 . . . A 218 SER H . 18758 1 188 . 1 1 18 18 SER HA H 1 5.790 0.020 . 1 . . . A 218 SER HA . 18758 1 189 . 1 1 18 18 SER HB2 H 1 3.750 0.020 . 1 . . . A 218 SER HB2 . 18758 1 190 . 1 1 18 18 SER HB3 H 1 3.750 0.020 . 1 . . . A 218 SER HB3 . 18758 1 191 . 1 1 18 18 SER C C 13 172.900 0.3 . 1 . . . A 218 SER C . 18758 1 192 . 1 1 18 18 SER CA C 13 57.200 0.3 . 1 . . . A 218 SER CA . 18758 1 193 . 1 1 18 18 SER CB C 13 67.300 0.3 . 1 . . . A 218 SER CB . 18758 1 194 . 1 1 18 18 SER N N 15 115.300 0.3 . 1 . . . A 218 SER N . 18758 1 195 . 1 1 19 19 ALA H H 1 9.353 0.020 . 1 . . . A 219 ALA H . 18758 1 196 . 1 1 19 19 ALA HA H 1 4.780 0.020 . 1 . . . A 219 ALA HA . 18758 1 197 . 1 1 19 19 ALA HB1 H 1 1.400 0.020 . 1 . . . A 219 ALA HB1 . 18758 1 198 . 1 1 19 19 ALA HB2 H 1 1.400 0.020 . 1 . . . A 219 ALA HB2 . 18758 1 199 . 1 1 19 19 ALA HB3 H 1 1.400 0.020 . 1 . . . A 219 ALA HB3 . 18758 1 200 . 1 1 19 19 ALA C C 13 175.300 0.3 . 1 . . . A 219 ALA C . 18758 1 201 . 1 1 19 19 ALA CA C 13 51.200 0.3 . 1 . . . A 219 ALA CA . 18758 1 202 . 1 1 19 19 ALA CB C 13 22.900 0.3 . 1 . . . A 219 ALA CB . 18758 1 203 . 1 1 19 19 ALA N N 15 123.275 0.3 . 1 . . . A 219 ALA N . 18758 1 204 . 1 1 20 20 MET H H 1 8.748 0.020 . 1 . . . A 220 MET H . 18758 1 205 . 1 1 20 20 MET HA H 1 5.080 0.020 . 1 . . . A 220 MET HA . 18758 1 206 . 1 1 20 20 MET HB2 H 1 2.090 0.020 . 2 . . . A 220 MET HB2 . 18758 1 207 . 1 1 20 20 MET HB3 H 1 2.250 0.020 . 2 . . . A 220 MET HB3 . 18758 1 208 . 1 1 20 20 MET HG2 H 1 2.620 0.020 . 2 . . . A 220 MET HG2 . 18758 1 209 . 1 1 20 20 MET HG3 H 1 2.770 0.020 . 2 . . . A 220 MET HG3 . 18758 1 210 . 1 1 20 20 MET HE1 H 1 2.090 0.020 . 1 . . . A 220 MET HE1 . 18758 1 211 . 1 1 20 20 MET HE2 H 1 2.090 0.020 . 1 . . . A 220 MET HE2 . 18758 1 212 . 1 1 20 20 MET HE3 H 1 2.090 0.020 . 1 . . . A 220 MET HE3 . 18758 1 213 . 1 1 20 20 MET C C 13 176.300 0.3 . 1 . . . A 220 MET C . 18758 1 214 . 1 1 20 20 MET CA C 13 54.700 0.3 . 1 . . . A 220 MET CA . 18758 1 215 . 1 1 20 20 MET CB C 13 32.900 0.3 . 1 . . . A 220 MET CB . 18758 1 216 . 1 1 20 20 MET CG C 13 32.647 0.3 . 1 . . . A 220 MET CG . 18758 1 217 . 1 1 20 20 MET N N 15 118.970 0.3 . 1 . . . A 220 MET N . 18758 1 218 . 1 1 21 21 VAL H H 1 8.114 0.020 . 1 . . . A 221 VAL H . 18758 1 219 . 1 1 21 21 VAL HA H 1 3.920 0.020 . 1 . . . A 221 VAL HA . 18758 1 220 . 1 1 21 21 VAL HB H 1 2.300 0.020 . 1 . . . A 221 VAL HB . 18758 1 221 . 1 1 21 21 VAL HG11 H 1 0.940 0.020 . 1 . . . A 221 VAL HG11 . 18758 1 222 . 1 1 21 21 VAL HG12 H 1 0.940 0.020 . 1 . . . A 221 VAL HG12 . 18758 1 223 . 1 1 21 21 VAL HG13 H 1 0.940 0.020 . 1 . . . A 221 VAL HG13 . 18758 1 224 . 1 1 21 21 VAL HG21 H 1 1.010 0.020 . 1 . . . A 221 VAL HG21 . 18758 1 225 . 1 1 21 21 VAL HG22 H 1 1.010 0.020 . 1 . . . A 221 VAL HG22 . 18758 1 226 . 1 1 21 21 VAL HG23 H 1 1.010 0.020 . 1 . . . A 221 VAL HG23 . 18758 1 227 . 1 1 21 21 VAL C C 13 175.100 0.3 . 1 . . . A 221 VAL C . 18758 1 228 . 1 1 21 21 VAL CA C 13 64.000 0.3 . 1 . . . A 221 VAL CA . 18758 1 229 . 1 1 21 21 VAL CB C 13 33.500 0.3 . 1 . . . A 221 VAL CB . 18758 1 230 . 1 1 21 21 VAL CG1 C 13 23.000 0.3 . 1 . . . A 221 VAL CG1 . 18758 1 231 . 1 1 21 21 VAL CG2 C 13 22.600 0.3 . 1 . . . A 221 VAL CG2 . 18758 1 232 . 1 1 21 21 VAL N N 15 124.211 0.3 . 1 . . . A 221 VAL N . 18758 1 233 . 1 1 22 22 SER H H 1 9.344 0.020 . 1 . . . A 222 SER H . 18758 1 234 . 1 1 22 22 SER HA H 1 4.720 0.020 . 1 . . . A 222 SER HA . 18758 1 235 . 1 1 22 22 SER HB2 H 1 3.760 0.020 . 2 . . . A 222 SER HB2 . 18758 1 236 . 1 1 22 22 SER HB3 H 1 3.440 0.020 . 2 . . . A 222 SER HB3 . 18758 1 237 . 1 1 22 22 SER C C 13 173.600 0.3 . 1 . . . A 222 SER C . 18758 1 238 . 1 1 22 22 SER CA C 13 58.200 0.3 . 1 . . . A 222 SER CA . 18758 1 239 . 1 1 22 22 SER CB C 13 65.700 0.3 . 1 . . . A 222 SER CB . 18758 1 240 . 1 1 22 22 SER N N 15 119.075 0.3 . 1 . . . A 222 SER N . 18758 1 241 . 1 1 23 23 MET H H 1 7.450 0.020 . 1 . . . A 223 MET H . 18758 1 242 . 1 1 23 23 MET HA H 1 4.040 0.020 . 1 . . . A 223 MET HA . 18758 1 243 . 1 1 23 23 MET HB2 H 1 2.120 0.020 . 1 . . . A 223 MET HB2 . 18758 1 244 . 1 1 23 23 MET HB3 H 1 2.120 0.020 . 1 . . . A 223 MET HB3 . 18758 1 245 . 1 1 23 23 MET HG2 H 1 1.690 0.020 . 1 . . . A 223 MET HG2 . 18758 1 246 . 1 1 23 23 MET HG3 H 1 1.690 0.020 . 1 . . . A 223 MET HG3 . 18758 1 247 . 1 1 23 23 MET HE1 H 1 2.120 0.020 . 1 . . . A 223 MET HE1 . 18758 1 248 . 1 1 23 23 MET HE2 H 1 2.120 0.020 . 1 . . . A 223 MET HE2 . 18758 1 249 . 1 1 23 23 MET HE3 H 1 2.120 0.020 . 1 . . . A 223 MET HE3 . 18758 1 250 . 1 1 23 23 MET C C 13 173.100 0.3 . 1 . . . A 223 MET C . 18758 1 251 . 1 1 23 23 MET CA C 13 55.100 0.3 . 1 . . . A 223 MET CA . 18758 1 252 . 1 1 23 23 MET CB C 13 32.700 0.3 . 1 . . . A 223 MET CB . 18758 1 253 . 1 1 23 23 MET CG C 13 32.800 0.3 . 1 . . . A 223 MET CG . 18758 1 254 . 1 1 23 23 MET CE C 13 16.200 0.3 . 1 . . . A 223 MET CE . 18758 1 255 . 1 1 23 23 MET N N 15 119.367 0.3 . 1 . . . A 223 MET N . 18758 1 256 . 1 1 24 24 VAL H H 1 5.910 0.020 . 1 . . . A 224 VAL H . 18758 1 257 . 1 1 24 24 VAL HA H 1 4.650 0.020 . 1 . . . A 224 VAL HA . 18758 1 258 . 1 1 24 24 VAL HB H 1 1.731 0.020 . 1 . . . A 224 VAL HB . 18758 1 259 . 1 1 24 24 VAL HG11 H 1 0.880 0.020 . 1 . . . A 224 VAL HG11 . 18758 1 260 . 1 1 24 24 VAL HG12 H 1 0.880 0.020 . 1 . . . A 224 VAL HG12 . 18758 1 261 . 1 1 24 24 VAL HG13 H 1 0.880 0.020 . 1 . . . A 224 VAL HG13 . 18758 1 262 . 1 1 24 24 VAL HG21 H 1 0.560 0.020 . 1 . . . A 224 VAL HG21 . 18758 1 263 . 1 1 24 24 VAL HG22 H 1 0.560 0.020 . 1 . . . A 224 VAL HG22 . 18758 1 264 . 1 1 24 24 VAL HG23 H 1 0.560 0.020 . 1 . . . A 224 VAL HG23 . 18758 1 265 . 1 1 24 24 VAL C C 13 175.600 0.3 . 1 . . . A 224 VAL C . 18758 1 266 . 1 1 24 24 VAL CA C 13 61.900 0.3 . 1 . . . A 224 VAL CA . 18758 1 267 . 1 1 24 24 VAL CB C 13 34.491 0.3 . 1 . . . A 224 VAL CB . 18758 1 268 . 1 1 24 24 VAL CG1 C 13 21.400 0.3 . 1 . . . A 224 VAL CG1 . 18758 1 269 . 1 1 24 24 VAL CG2 C 13 21.200 0.3 . 1 . . . A 224 VAL CG2 . 18758 1 270 . 1 1 24 24 VAL N N 15 121.000 0.3 . 1 . . . A 224 VAL N . 18758 1 271 . 1 1 25 25 THR H H 1 8.435 0.020 . 1 . . . A 225 THR H . 18758 1 272 . 1 1 25 25 THR HA H 1 4.250 0.020 . 1 . . . A 225 THR HA . 18758 1 273 . 1 1 25 25 THR HB H 1 4.230 0.020 . 1 . . . A 225 THR HB . 18758 1 274 . 1 1 25 25 THR HG21 H 1 1.140 0.020 . 1 . . . A 225 THR HG21 . 18758 1 275 . 1 1 25 25 THR HG22 H 1 1.140 0.020 . 1 . . . A 225 THR HG22 . 18758 1 276 . 1 1 25 25 THR HG23 H 1 1.140 0.020 . 1 . . . A 225 THR HG23 . 18758 1 277 . 1 1 25 25 THR C C 13 173.600 0.3 . 1 . . . A 225 THR C . 18758 1 278 . 1 1 25 25 THR CA C 13 60.900 0.3 . 1 . . . A 225 THR CA . 18758 1 279 . 1 1 25 25 THR CB C 13 70.700 0.3 . 1 . . . A 225 THR CB . 18758 1 280 . 1 1 25 25 THR CG2 C 13 23.300 0.3 . 1 . . . A 225 THR CG2 . 18758 1 281 . 1 1 25 25 THR N N 15 115.726 0.3 . 1 . . . A 225 THR N . 18758 1 282 . 1 1 26 26 LYS H H 1 8.286 0.020 . 1 . . . A 226 LYS H . 18758 1 283 . 1 1 26 26 LYS HA H 1 4.290 0.020 . 1 . . . A 226 LYS HA . 18758 1 284 . 1 1 26 26 LYS HB2 H 1 1.490 0.020 . 2 . . . A 226 LYS HB2 . 18758 1 285 . 1 1 26 26 LYS HB3 H 1 1.650 0.020 . 2 . . . A 226 LYS HB3 . 18758 1 286 . 1 1 26 26 LYS HG2 H 1 1.110 0.020 . 1 . . . A 226 LYS HG2 . 18758 1 287 . 1 1 26 26 LYS HG3 H 1 1.110 0.020 . 1 . . . A 226 LYS HG3 . 18758 1 288 . 1 1 26 26 LYS HD2 H 1 1.580 0.020 . 1 . . . A 226 LYS HD2 . 18758 1 289 . 1 1 26 26 LYS HD3 H 1 1.580 0.020 . 1 . . . A 226 LYS HD3 . 18758 1 290 . 1 1 26 26 LYS HE2 H 1 3.000 0.020 . 1 . . . A 226 LYS HE2 . 18758 1 291 . 1 1 26 26 LYS HE3 H 1 3.000 0.020 . 1 . . . A 226 LYS HE3 . 18758 1 292 . 1 1 26 26 LYS C C 13 174.200 0.3 . 1 . . . A 226 LYS C . 18758 1 293 . 1 1 26 26 LYS CA C 13 54.700 0.3 . 1 . . . A 226 LYS CA . 18758 1 294 . 1 1 26 26 LYS CB C 13 32.100 0.3 . 1 . . . A 226 LYS CB . 18758 1 295 . 1 1 26 26 LYS CG C 13 25.100 0.3 . 1 . . . A 226 LYS CG . 18758 1 296 . 1 1 26 26 LYS CD C 13 29.700 0.3 . 1 . . . A 226 LYS CD . 18758 1 297 . 1 1 26 26 LYS CE C 13 42.300 0.3 . 1 . . . A 226 LYS CE . 18758 1 298 . 1 1 26 26 LYS N N 15 122.675 0.3 . 1 . . . A 226 LYS N . 18758 1 299 . 1 1 27 27 ASP H H 1 8.387 0.020 . 1 . . . A 227 ASP H . 18758 1 300 . 1 1 27 27 ASP HA H 1 4.400 0.020 . 1 . . . A 227 ASP HA . 18758 1 301 . 1 1 27 27 ASP HB2 H 1 2.500 0.020 . 2 . . . A 227 ASP HB2 . 18758 1 302 . 1 1 27 27 ASP HB3 H 1 2.300 0.020 . 2 . . . A 227 ASP HB3 . 18758 1 303 . 1 1 27 27 ASP C C 13 172.100 0.3 . 1 . . . A 227 ASP C . 18758 1 304 . 1 1 27 27 ASP CA C 13 52.800 0.3 . 1 . . . A 227 ASP CA . 18758 1 305 . 1 1 27 27 ASP CB C 13 43.400 0.3 . 1 . . . A 227 ASP CB . 18758 1 306 . 1 1 27 27 ASP N N 15 123.841 0.3 . 1 . . . A 227 ASP N . 18758 1 307 . 1 1 28 28 ASN H H 1 8.812 0.020 . 1 . . . A 228 ASN H . 18758 1 308 . 1 1 28 28 ASN HA H 1 5.290 0.020 . 1 . . . A 228 ASN HA . 18758 1 309 . 1 1 28 28 ASN HB2 H 1 2.910 0.020 . 1 . . . A 228 ASN HB2 . 18758 1 310 . 1 1 28 28 ASN HB3 H 1 2.910 0.020 . 1 . . . A 228 ASN HB3 . 18758 1 311 . 1 1 28 28 ASN HD21 H 1 6.510 0.020 . 1 . . . A 228 ASN HD21 . 18758 1 312 . 1 1 28 28 ASN HD22 H 1 7.257 0.020 . 1 . . . A 228 ASN HD22 . 18758 1 313 . 1 1 28 28 ASN CA C 13 48.600 0.3 . 1 . . . A 228 ASN CA . 18758 1 314 . 1 1 28 28 ASN CB C 13 39.500 0.3 . 1 . . . A 228 ASN CB . 18758 1 315 . 1 1 28 28 ASN N N 15 113.926 0.3 . 1 . . . A 228 ASN N . 18758 1 316 . 1 1 28 28 ASN ND2 N 15 108.656 0.3 . 1 . . . A 228 ASN ND2 . 18758 1 317 . 1 1 29 29 PRO HA H 1 4.680 0.020 . 1 . . . A 229 PRO HA . 18758 1 318 . 1 1 29 29 PRO HB2 H 1 2.180 0.020 . 1 . . . A 229 PRO HB2 . 18758 1 319 . 1 1 29 29 PRO HB3 H 1 2.180 0.020 . 1 . . . A 229 PRO HB3 . 18758 1 320 . 1 1 29 29 PRO HG2 H 1 1.940 0.020 . 2 . . . A 229 PRO HG2 . 18758 1 321 . 1 1 29 29 PRO HG3 H 1 1.590 0.020 . 2 . . . A 229 PRO HG3 . 18758 1 322 . 1 1 29 29 PRO HD2 H 1 3.300 0.020 . 2 . . . A 229 PRO HD2 . 18758 1 323 . 1 1 29 29 PRO HD3 H 1 3.540 0.020 . 2 . . . A 229 PRO HD3 . 18758 1 324 . 1 1 29 29 PRO C C 13 175.700 0.3 . 1 . . . A 229 PRO C . 18758 1 325 . 1 1 29 29 PRO CA C 13 63.500 0.3 . 1 . . . A 229 PRO CA . 18758 1 326 . 1 1 29 29 PRO CB C 13 35.200 0.3 . 1 . . . A 229 PRO CB . 18758 1 327 . 1 1 29 29 PRO CG C 13 24.200 0.3 . 1 . . . A 229 PRO CG . 18758 1 328 . 1 1 29 29 PRO CD C 13 50.000 0.3 . 1 . . . A 229 PRO CD . 18758 1 329 . 1 1 30 30 GLY H H 1 8.480 0.020 . 1 . . . A 230 GLY H . 18758 1 330 . 1 1 30 30 GLY HA2 H 1 3.350 0.020 . 2 . . . A 230 GLY HA2 . 18758 1 331 . 1 1 30 30 GLY HA3 H 1 3.620 0.020 . 2 . . . A 230 GLY HA3 . 18758 1 332 . 1 1 30 30 GLY C C 13 173.200 0.3 . 1 . . . A 230 GLY C . 18758 1 333 . 1 1 30 30 GLY CA C 13 46.500 0.3 . 1 . . . A 230 GLY CA . 18758 1 334 . 1 1 30 30 GLY N N 15 105.741 0.3 . 1 . . . A 230 GLY N . 18758 1 335 . 1 1 31 31 VAL H H 1 8.178 0.020 . 1 . . . A 231 VAL H . 18758 1 336 . 1 1 31 31 VAL HA H 1 4.220 0.020 . 1 . . . A 231 VAL HA . 18758 1 337 . 1 1 31 31 VAL HB H 1 1.750 0.020 . 1 . . . A 231 VAL HB . 18758 1 338 . 1 1 31 31 VAL HG11 H 1 0.670 0.020 . 1 . . . A 231 VAL HG11 . 18758 1 339 . 1 1 31 31 VAL HG12 H 1 0.670 0.020 . 1 . . . A 231 VAL HG12 . 18758 1 340 . 1 1 31 31 VAL HG13 H 1 0.670 0.020 . 1 . . . A 231 VAL HG13 . 18758 1 341 . 1 1 31 31 VAL HG21 H 1 0.600 0.020 . 1 . . . A 231 VAL HG21 . 18758 1 342 . 1 1 31 31 VAL HG22 H 1 0.600 0.020 . 1 . . . A 231 VAL HG22 . 18758 1 343 . 1 1 31 31 VAL HG23 H 1 0.600 0.020 . 1 . . . A 231 VAL HG23 . 18758 1 344 . 1 1 31 31 VAL C C 13 175.800 0.3 . 1 . . . A 231 VAL C . 18758 1 345 . 1 1 31 31 VAL CA C 13 62.500 0.3 . 1 . . . A 231 VAL CA . 18758 1 346 . 1 1 31 31 VAL CB C 13 33.400 0.3 . 1 . . . A 231 VAL CB . 18758 1 347 . 1 1 31 31 VAL CG1 C 13 21.800 0.3 . 1 . . . A 231 VAL CG1 . 18758 1 348 . 1 1 31 31 VAL CG2 C 13 21.100 0.3 . 1 . . . A 231 VAL CG2 . 18758 1 349 . 1 1 31 31 VAL N N 15 121.525 0.3 . 1 . . . A 231 VAL N . 18758 1 350 . 1 1 32 32 VAL H H 1 9.260 0.020 . 1 . . . A 232 VAL H . 18758 1 351 . 1 1 32 32 VAL HA H 1 4.510 0.020 . 1 . . . A 232 VAL HA . 18758 1 352 . 1 1 32 32 VAL HB H 1 0.550 0.020 . 1 . . . A 232 VAL HB . 18758 1 353 . 1 1 32 32 VAL HG11 H 1 0.880 0.020 . 1 . . . A 232 VAL HG11 . 18758 1 354 . 1 1 32 32 VAL HG12 H 1 0.880 0.020 . 1 . . . A 232 VAL HG12 . 18758 1 355 . 1 1 32 32 VAL HG13 H 1 0.880 0.020 . 1 . . . A 232 VAL HG13 . 18758 1 356 . 1 1 32 32 VAL HG21 H 1 0.730 0.020 . 1 . . . A 232 VAL HG21 . 18758 1 357 . 1 1 32 32 VAL HG22 H 1 0.730 0.020 . 1 . . . A 232 VAL HG22 . 18758 1 358 . 1 1 32 32 VAL HG23 H 1 0.730 0.020 . 1 . . . A 232 VAL HG23 . 18758 1 359 . 1 1 32 32 VAL C C 13 174.500 0.3 . 1 . . . A 232 VAL C . 18758 1 360 . 1 1 32 32 VAL CA C 13 60.600 0.3 . 1 . . . A 232 VAL CA . 18758 1 361 . 1 1 32 32 VAL CB C 13 32.477 0.3 . 1 . . . A 232 VAL CB . 18758 1 362 . 1 1 32 32 VAL CG1 C 13 23.400 0.3 . 1 . . . A 232 VAL CG1 . 18758 1 363 . 1 1 32 32 VAL CG2 C 13 22.600 0.3 . 1 . . . A 232 VAL CG2 . 18758 1 364 . 1 1 32 32 VAL N N 15 131.550 0.3 . 1 . . . A 232 VAL N . 18758 1 365 . 1 1 33 33 THR H H 1 8.702 0.020 . 1 . . . A 233 THR H . 18758 1 366 . 1 1 33 33 THR HA H 1 4.920 0.020 . 1 . . . A 233 THR HA . 18758 1 367 . 1 1 33 33 THR HB H 1 3.750 0.020 . 1 . . . A 233 THR HB . 18758 1 368 . 1 1 33 33 THR HG21 H 1 1.250 0.020 . 1 . . . A 233 THR HG21 . 18758 1 369 . 1 1 33 33 THR HG22 H 1 1.250 0.020 . 1 . . . A 233 THR HG22 . 18758 1 370 . 1 1 33 33 THR HG23 H 1 1.250 0.020 . 1 . . . A 233 THR HG23 . 18758 1 371 . 1 1 33 33 THR C C 13 174.900 0.3 . 1 . . . A 233 THR C . 18758 1 372 . 1 1 33 33 THR CA C 13 61.400 0.3 . 1 . . . A 233 THR CA . 18758 1 373 . 1 1 33 33 THR CB C 13 70.300 0.3 . 1 . . . A 233 THR CB . 18758 1 374 . 1 1 33 33 THR CG2 C 13 21.312 0.3 . 1 . . . A 233 THR CG2 . 18758 1 375 . 1 1 33 33 THR N N 15 121.082 0.3 . 1 . . . A 233 THR N . 18758 1 376 . 1 1 34 34 CYS H H 1 8.962 0.020 . 1 . . . A 234 CYS H . 18758 1 377 . 1 1 34 34 CYS HA H 1 5.070 0.020 . 1 . . . A 234 CYS HA . 18758 1 378 . 1 1 34 34 CYS HB2 H 1 3.230 0.020 . 2 . . . A 234 CYS HB2 . 18758 1 379 . 1 1 34 34 CYS HB3 H 1 3.270 0.020 . 2 . . . A 234 CYS HB3 . 18758 1 380 . 1 1 34 34 CYS C C 13 173.700 0.3 . 1 . . . A 234 CYS C . 18758 1 381 . 1 1 34 34 CYS CA C 13 59.200 0.3 . 1 . . . A 234 CYS CA . 18758 1 382 . 1 1 34 34 CYS CB C 13 29.900 0.3 . 1 . . . A 234 CYS CB . 18758 1 383 . 1 1 34 34 CYS N N 15 125.711 0.3 . 1 . . . A 234 CYS N . 18758 1 384 . 1 1 35 35 LEU H H 1 8.213 0.020 . 1 . . . A 235 LEU H . 18758 1 385 . 1 1 35 35 LEU HA H 1 4.030 0.020 . 1 . . . A 235 LEU HA . 18758 1 386 . 1 1 35 35 LEU HB2 H 1 1.770 0.020 . 2 . . . A 235 LEU HB2 . 18758 1 387 . 1 1 35 35 LEU HB3 H 1 1.290 0.020 . 2 . . . A 235 LEU HB3 . 18758 1 388 . 1 1 35 35 LEU HG H 1 1.510 0.020 . 1 . . . A 235 LEU HG . 18758 1 389 . 1 1 35 35 LEU HD11 H 1 0.920 0.020 . 1 . . . A 235 LEU HD11 . 18758 1 390 . 1 1 35 35 LEU HD12 H 1 0.920 0.020 . 1 . . . A 235 LEU HD12 . 18758 1 391 . 1 1 35 35 LEU HD13 H 1 0.920 0.020 . 1 . . . A 235 LEU HD13 . 18758 1 392 . 1 1 35 35 LEU HD21 H 1 0.940 0.020 . 1 . . . A 235 LEU HD21 . 18758 1 393 . 1 1 35 35 LEU HD22 H 1 0.940 0.020 . 1 . . . A 235 LEU HD22 . 18758 1 394 . 1 1 35 35 LEU HD23 H 1 0.940 0.020 . 1 . . . A 235 LEU HD23 . 18758 1 395 . 1 1 35 35 LEU C C 13 177.000 0.3 . 1 . . . A 235 LEU C . 18758 1 396 . 1 1 35 35 LEU CA C 13 56.000 0.3 . 1 . . . A 235 LEU CA . 18758 1 397 . 1 1 35 35 LEU CB C 13 43.130 0.3 . 1 . . . A 235 LEU CB . 18758 1 398 . 1 1 35 35 LEU CG C 13 27.200 0.3 . 1 . . . A 235 LEU CG . 18758 1 399 . 1 1 35 35 LEU CD1 C 13 24.700 0.3 . 1 . . . A 235 LEU CD1 . 18758 1 400 . 1 1 35 35 LEU CD2 C 13 24.500 0.3 . 1 . . . A 235 LEU CD2 . 18758 1 401 . 1 1 35 35 LEU N N 15 122.311 0.3 . 1 . . . A 235 LEU N . 18758 1 402 . 1 1 36 36 ASP H H 1 8.410 0.020 . 1 . . . A 236 ASP H . 18758 1 403 . 1 1 36 36 ASP HA H 1 4.020 0.020 . 1 . . . A 236 ASP HA . 18758 1 404 . 1 1 36 36 ASP HB2 H 1 2.410 0.020 . 1 . . . A 236 ASP HB2 . 18758 1 405 . 1 1 36 36 ASP HB3 H 1 2.410 0.020 . 1 . . . A 236 ASP HB3 . 18758 1 406 . 1 1 36 36 ASP C C 13 175.600 0.3 . 1 . . . A 236 ASP C . 18758 1 407 . 1 1 36 36 ASP CA C 13 55.400 0.3 . 1 . . . A 236 ASP CA . 18758 1 408 . 1 1 36 36 ASP CB C 13 39.300 0.3 . 1 . . . A 236 ASP CB . 18758 1 409 . 1 1 36 36 ASP N N 15 122.000 0.3 . 1 . . . A 236 ASP N . 18758 1 410 . 1 1 37 37 GLU H H 1 7.655 0.020 . 1 . . . A 237 GLU H . 18758 1 411 . 1 1 37 37 GLU HA H 1 3.540 0.020 . 1 . . . A 237 GLU HA . 18758 1 412 . 1 1 37 37 GLU HB2 H 1 1.760 0.020 . 2 . . . A 237 GLU HB2 . 18758 1 413 . 1 1 37 37 GLU HB3 H 1 1.870 0.020 . 2 . . . A 237 GLU HB3 . 18758 1 414 . 1 1 37 37 GLU HG2 H 1 1.810 0.020 . 2 . . . A 237 GLU HG2 . 18758 1 415 . 1 1 37 37 GLU HG3 H 1 2.020 0.020 . 2 . . . A 237 GLU HG3 . 18758 1 416 . 1 1 37 37 GLU C C 13 175.400 0.3 . 1 . . . A 237 GLU C . 18758 1 417 . 1 1 37 37 GLU CA C 13 57.600 0.3 . 1 . . . A 237 GLU CA . 18758 1 418 . 1 1 37 37 GLU CB C 13 28.300 0.3 . 1 . . . A 237 GLU CB . 18758 1 419 . 1 1 37 37 GLU CG C 13 36.112 0.3 . 1 . . . A 237 GLU CG . 18758 1 420 . 1 1 37 37 GLU N N 15 114.911 0.3 . 1 . . . A 237 GLU N . 18758 1 421 . 1 1 38 38 ALA H H 1 7.467 0.020 . 1 . . . A 238 ALA H . 18758 1 422 . 1 1 38 38 ALA HA H 1 4.380 0.020 . 1 . . . A 238 ALA HA . 18758 1 423 . 1 1 38 38 ALA HB1 H 1 1.360 0.020 . 1 . . . A 238 ALA HB1 . 18758 1 424 . 1 1 38 38 ALA HB2 H 1 1.360 0.020 . 1 . . . A 238 ALA HB2 . 18758 1 425 . 1 1 38 38 ALA HB3 H 1 1.360 0.020 . 1 . . . A 238 ALA HB3 . 18758 1 426 . 1 1 38 38 ALA C C 13 176.100 0.3 . 1 . . . A 238 ALA C . 18758 1 427 . 1 1 38 38 ALA CA C 13 51.900 0.3 . 1 . . . A 238 ALA CA . 18758 1 428 . 1 1 38 38 ALA CB C 13 20.300 0.3 . 1 . . . A 238 ALA CB . 18758 1 429 . 1 1 38 38 ALA N N 15 121.026 0.3 . 1 . . . A 238 ALA N . 18758 1 430 . 1 1 39 39 ARG H H 1 8.135 0.020 . 1 . . . A 239 ARG H . 18758 1 431 . 1 1 39 39 ARG HA H 1 4.000 0.020 . 1 . . . A 239 ARG HA . 18758 1 432 . 1 1 39 39 ARG HB2 H 1 1.580 0.020 . 1 . . . A 239 ARG HB2 . 18758 1 433 . 1 1 39 39 ARG HB3 H 1 1.580 0.020 . 1 . . . A 239 ARG HB3 . 18758 1 434 . 1 1 39 39 ARG HG2 H 1 1.260 0.020 . 1 . . . A 239 ARG HG2 . 18758 1 435 . 1 1 39 39 ARG HG3 H 1 1.260 0.020 . 1 . . . A 239 ARG HG3 . 18758 1 436 . 1 1 39 39 ARG HD2 H 1 3.090 0.020 . 1 . . . A 239 ARG HD2 . 18758 1 437 . 1 1 39 39 ARG HD3 H 1 3.090 0.020 . 1 . . . A 239 ARG HD3 . 18758 1 438 . 1 1 39 39 ARG C C 13 177.500 0.3 . 1 . . . A 239 ARG C . 18758 1 439 . 1 1 39 39 ARG CA C 13 55.900 0.3 . 1 . . . A 239 ARG CA . 18758 1 440 . 1 1 39 39 ARG CB C 13 29.600 0.3 . 1 . . . A 239 ARG CB . 18758 1 441 . 1 1 39 39 ARG CG C 13 27.900 0.3 . 1 . . . A 239 ARG CG . 18758 1 442 . 1 1 39 39 ARG CD C 13 43.500 0.3 . 1 . . . A 239 ARG CD . 18758 1 443 . 1 1 39 39 ARG N N 15 119.941 0.3 . 1 . . . A 239 ARG N . 18758 1 444 . 1 1 40 40 HIS H H 1 7.086 0.020 . 1 . . . A 240 HIS H . 18758 1 445 . 1 1 40 40 HIS HA H 1 4.020 0.020 . 1 . . . A 240 HIS HA . 18758 1 446 . 1 1 40 40 HIS HB2 H 1 1.657 0.020 . 2 . . . A 240 HIS HB2 . 18758 1 447 . 1 1 40 40 HIS HB3 H 1 2.850 0.020 . 2 . . . A 240 HIS HB3 . 18758 1 448 . 1 1 40 40 HIS HD2 H 1 6.834 0.020 . 1 . . . A 240 HIS HD2 . 18758 1 449 . 1 1 40 40 HIS HE1 H 1 7.677 0.020 . 1 . . . A 240 HIS HE1 . 18758 1 450 . 1 1 40 40 HIS C C 13 175.700 0.3 . 1 . . . A 240 HIS C . 18758 1 451 . 1 1 40 40 HIS CA C 13 57.300 0.3 . 1 . . . A 240 HIS CA . 18758 1 452 . 1 1 40 40 HIS CB C 13 29.059 0.3 . 1 . . . A 240 HIS CB . 18758 1 453 . 1 1 40 40 HIS CD2 C 13 118.891 0.3 . 1 . . . A 240 HIS CD2 . 18758 1 454 . 1 1 40 40 HIS CE1 C 13 139.064 0.3 . 1 . . . A 240 HIS CE1 . 18758 1 455 . 1 1 40 40 HIS N N 15 120.575 0.3 . 1 . . . A 240 HIS N . 18758 1 456 . 1 1 41 41 GLY H H 1 8.028 0.020 . 1 . . . A 241 GLY H . 18758 1 457 . 1 1 41 41 GLY HA2 H 1 3.610 0.020 . 2 . . . A 241 GLY HA2 . 18758 1 458 . 1 1 41 41 GLY HA3 H 1 3.840 0.020 . 2 . . . A 241 GLY HA3 . 18758 1 459 . 1 1 41 41 GLY C C 13 175.400 0.3 . 1 . . . A 241 GLY C . 18758 1 460 . 1 1 41 41 GLY CA C 13 45.600 0.3 . 1 . . . A 241 GLY CA . 18758 1 461 . 1 1 41 41 GLY N N 15 106.882 0.3 . 1 . . . A 241 GLY N . 18758 1 462 . 1 1 42 42 PHE H H 1 10.751 0.020 . 1 . . . A 242 PHE H . 18758 1 463 . 1 1 42 42 PHE HA H 1 4.670 0.020 . 1 . . . A 242 PHE HA . 18758 1 464 . 1 1 42 42 PHE HB2 H 1 2.190 0.020 . 2 . . . A 242 PHE HB2 . 18758 1 465 . 1 1 42 42 PHE HB3 H 1 3.110 0.020 . 2 . . . A 242 PHE HB3 . 18758 1 466 . 1 1 42 42 PHE HD1 H 1 6.155 0.020 . 3 . . . A 242 PHE HD1 . 18758 1 467 . 1 1 42 42 PHE HD2 H 1 6.155 0.020 . 3 . . . A 242 PHE HD2 . 18758 1 468 . 1 1 42 42 PHE HE1 H 1 6.722 0.020 . 3 . . . A 242 PHE HE1 . 18758 1 469 . 1 1 42 42 PHE HE2 H 1 6.722 0.020 . 3 . . . A 242 PHE HE2 . 18758 1 470 . 1 1 42 42 PHE HZ H 1 6.847 0.020 . 1 . . . A 242 PHE HZ . 18758 1 471 . 1 1 42 42 PHE C C 13 175.100 0.3 . 1 . . . A 242 PHE C . 18758 1 472 . 1 1 42 42 PHE CA C 13 54.200 0.3 . 1 . . . A 242 PHE CA . 18758 1 473 . 1 1 42 42 PHE CB C 13 39.300 0.3 . 1 . . . A 242 PHE CB . 18758 1 474 . 1 1 42 42 PHE CD2 C 13 130.212 0.3 . 1 . . . A 242 PHE CD2 . 18758 1 475 . 1 1 42 42 PHE CE2 C 13 130.325 0.3 . 1 . . . A 242 PHE CE2 . 18758 1 476 . 1 1 42 42 PHE CZ C 13 129.668 0.3 . 1 . . . A 242 PHE CZ . 18758 1 477 . 1 1 42 42 PHE N N 15 123.975 0.3 . 1 . . . A 242 PHE N . 18758 1 478 . 1 1 43 43 GLU H H 1 8.858 0.020 . 1 . . . A 243 GLU H . 18758 1 479 . 1 1 43 43 GLU HA H 1 4.690 0.020 . 1 . . . A 243 GLU HA . 18758 1 480 . 1 1 43 43 GLU HB2 H 1 1.730 0.020 . 2 . . . A 243 GLU HB2 . 18758 1 481 . 1 1 43 43 GLU HB3 H 1 1.960 0.020 . 2 . . . A 243 GLU HB3 . 18758 1 482 . 1 1 43 43 GLU HG2 H 1 2.190 0.020 . 2 . . . A 243 GLU HG2 . 18758 1 483 . 1 1 43 43 GLU HG3 H 1 2.300 0.020 . 2 . . . A 243 GLU HG3 . 18758 1 484 . 1 1 43 43 GLU C C 13 175.800 0.3 . 1 . . . A 243 GLU C . 18758 1 485 . 1 1 43 43 GLU CA C 13 54.400 0.3 . 1 . . . A 243 GLU CA . 18758 1 486 . 1 1 43 43 GLU CB C 13 33.100 0.3 . 1 . . . A 243 GLU CB . 18758 1 487 . 1 1 43 43 GLU CG C 13 36.100 0.3 . 1 . . . A 243 GLU CG . 18758 1 488 . 1 1 43 43 GLU N N 15 119.167 0.3 . 1 . . . A 243 GLU N . 18758 1 489 . 1 1 44 44 THR H H 1 8.982 0.020 . 1 . . . A 244 THR H . 18758 1 490 . 1 1 44 44 THR HA H 1 3.760 0.020 . 1 . . . A 244 THR HA . 18758 1 491 . 1 1 44 44 THR HB H 1 4.130 0.020 . 1 . . . A 244 THR HB . 18758 1 492 . 1 1 44 44 THR HG21 H 1 1.390 0.020 . 1 . . . A 244 THR HG21 . 18758 1 493 . 1 1 44 44 THR HG22 H 1 1.390 0.020 . 1 . . . A 244 THR HG22 . 18758 1 494 . 1 1 44 44 THR HG23 H 1 1.390 0.020 . 1 . . . A 244 THR HG23 . 18758 1 495 . 1 1 44 44 THR C C 13 175.300 0.3 . 1 . . . A 244 THR C . 18758 1 496 . 1 1 44 44 THR CA C 13 65.700 0.3 . 1 . . . A 244 THR CA . 18758 1 497 . 1 1 44 44 THR CB C 13 69.300 0.3 . 1 . . . A 244 THR CB . 18758 1 498 . 1 1 44 44 THR CG2 C 13 23.300 0.3 . 1 . . . A 244 THR CG2 . 18758 1 499 . 1 1 44 44 THR N N 15 120.197 0.3 . 1 . . . A 244 THR N . 18758 1 500 . 1 1 45 45 GLY H H 1 8.582 0.020 . 1 . . . A 245 GLY H . 18758 1 501 . 1 1 45 45 GLY HA2 H 1 3.703 0.020 . 2 . . . A 245 GLY HA2 . 18758 1 502 . 1 1 45 45 GLY HA3 H 1 4.460 0.020 . 2 . . . A 245 GLY HA3 . 18758 1 503 . 1 1 45 45 GLY C C 13 174.500 0.3 . 1 . . . A 245 GLY C . 18758 1 504 . 1 1 45 45 GLY CA C 13 44.477 0.3 . 1 . . . A 245 GLY CA . 18758 1 505 . 1 1 45 45 GLY N N 15 117.026 0.3 . 1 . . . A 245 GLY N . 18758 1 506 . 1 1 46 46 ASP H H 1 7.966 0.020 . 1 . . . A 246 ASP H . 18758 1 507 . 1 1 46 46 ASP HA H 1 4.510 0.020 . 1 . . . A 246 ASP HA . 18758 1 508 . 1 1 46 46 ASP HB2 H 1 2.230 0.020 . 2 . . . A 246 ASP HB2 . 18758 1 509 . 1 1 46 46 ASP HB3 H 1 2.500 0.020 . 2 . . . A 246 ASP HB3 . 18758 1 510 . 1 1 46 46 ASP C C 13 174.100 0.3 . 1 . . . A 246 ASP C . 18758 1 511 . 1 1 46 46 ASP CA C 13 55.300 0.3 . 1 . . . A 246 ASP CA . 18758 1 512 . 1 1 46 46 ASP CB C 13 41.300 0.3 . 1 . . . A 246 ASP CB . 18758 1 513 . 1 1 46 46 ASP N N 15 121.025 0.3 . 1 . . . A 246 ASP N . 18758 1 514 . 1 1 47 47 PHE H H 1 8.770 0.020 . 1 . . . A 247 PHE H . 18758 1 515 . 1 1 47 47 PHE HA H 1 5.160 0.020 . 1 . . . A 247 PHE HA . 18758 1 516 . 1 1 47 47 PHE HB2 H 1 2.370 0.020 . 2 . . . A 247 PHE HB2 . 18758 1 517 . 1 1 47 47 PHE HB3 H 1 3.020 0.020 . 2 . . . A 247 PHE HB3 . 18758 1 518 . 1 1 47 47 PHE HD1 H 1 7.027 0.020 . 3 . . . A 247 PHE HD1 . 18758 1 519 . 1 1 47 47 PHE HD2 H 1 7.030 0.020 . 3 . . . A 247 PHE HD2 . 18758 1 520 . 1 1 47 47 PHE HE1 H 1 7.301 0.020 . 3 . . . A 247 PHE HE1 . 18758 1 521 . 1 1 47 47 PHE HE2 H 1 7.340 0.020 . 3 . . . A 247 PHE HE2 . 18758 1 522 . 1 1 47 47 PHE HZ H 1 7.210 0.020 . 1 . . . A 247 PHE HZ . 18758 1 523 . 1 1 47 47 PHE C C 13 176.500 0.3 . 1 . . . A 247 PHE C . 18758 1 524 . 1 1 47 47 PHE CA C 13 56.300 0.3 . 1 . . . A 247 PHE CA . 18758 1 525 . 1 1 47 47 PHE CB C 13 41.730 0.3 . 1 . . . A 247 PHE CB . 18758 1 526 . 1 1 47 47 PHE CD1 C 13 131.230 0.3 . 1 . . . A 247 PHE CD1 . 18758 1 527 . 1 1 47 47 PHE CE1 C 13 131.359 0.3 . 1 . . . A 247 PHE CE1 . 18758 1 528 . 1 1 47 47 PHE N N 15 117.867 0.3 . 1 . . . A 247 PHE N . 18758 1 529 . 1 1 48 48 VAL H H 1 8.717 0.020 . 1 . . . A 248 VAL H . 18758 1 530 . 1 1 48 48 VAL HA H 1 5.370 0.020 . 1 . . . A 248 VAL HA . 18758 1 531 . 1 1 48 48 VAL HB H 1 1.610 0.020 . 1 . . . A 248 VAL HB . 18758 1 532 . 1 1 48 48 VAL HG11 H 1 -0.164 0.020 . 1 . . . A 248 VAL HG11 . 18758 1 533 . 1 1 48 48 VAL HG12 H 1 -0.164 0.020 . 1 . . . A 248 VAL HG12 . 18758 1 534 . 1 1 48 48 VAL HG13 H 1 -0.164 0.020 . 1 . . . A 248 VAL HG13 . 18758 1 535 . 1 1 48 48 VAL HG21 H 1 0.450 0.020 . 1 . . . A 248 VAL HG21 . 18758 1 536 . 1 1 48 48 VAL HG22 H 1 0.450 0.020 . 1 . . . A 248 VAL HG22 . 18758 1 537 . 1 1 48 48 VAL HG23 H 1 0.450 0.020 . 1 . . . A 248 VAL HG23 . 18758 1 538 . 1 1 48 48 VAL C C 13 175.200 0.3 . 1 . . . A 248 VAL C . 18758 1 539 . 1 1 48 48 VAL CA C 13 58.000 0.3 . 1 . . . A 248 VAL CA . 18758 1 540 . 1 1 48 48 VAL CB C 13 35.765 0.3 . 1 . . . A 248 VAL CB . 18758 1 541 . 1 1 48 48 VAL CG1 C 13 20.100 0.3 . 1 . . . A 248 VAL CG1 . 18758 1 542 . 1 1 48 48 VAL CG2 C 13 18.100 0.3 . 1 . . . A 248 VAL CG2 . 18758 1 543 . 1 1 48 48 VAL N N 15 110.667 0.3 . 1 . . . A 248 VAL N . 18758 1 544 . 1 1 49 49 SER H H 1 8.447 0.020 . 1 . . . A 249 SER H . 18758 1 545 . 1 1 49 49 SER HA H 1 4.740 0.020 . 1 . . . A 249 SER HA . 18758 1 546 . 1 1 49 49 SER HB2 H 1 3.490 0.020 . 2 . . . A 249 SER HB2 . 18758 1 547 . 1 1 49 49 SER HB3 H 1 3.800 0.020 . 2 . . . A 249 SER HB3 . 18758 1 548 . 1 1 49 49 SER C C 13 172.500 0.3 . 1 . . . A 249 SER C . 18758 1 549 . 1 1 49 49 SER CA C 13 56.500 0.3 . 1 . . . A 249 SER CA . 18758 1 550 . 1 1 49 49 SER CB C 13 65.700 0.3 . 1 . . . A 249 SER CB . 18758 1 551 . 1 1 49 49 SER N N 15 112.426 0.3 . 1 . . . A 249 SER N . 18758 1 552 . 1 1 50 50 PHE H H 1 8.497 0.020 . 1 . . . A 250 PHE H . 18758 1 553 . 1 1 50 50 PHE HA H 1 5.740 0.020 . 1 . . . A 250 PHE HA . 18758 1 554 . 1 1 50 50 PHE HB2 H 1 2.830 0.020 . 2 . . . A 250 PHE HB2 . 18758 1 555 . 1 1 50 50 PHE HB3 H 1 3.160 0.020 . 2 . . . A 250 PHE HB3 . 18758 1 556 . 1 1 50 50 PHE HD1 H 1 7.308 0.020 . 3 . . . A 250 PHE HD1 . 18758 1 557 . 1 1 50 50 PHE HD2 H 1 7.308 0.020 . 3 . . . A 250 PHE HD2 . 18758 1 558 . 1 1 50 50 PHE HE1 H 1 7.227 0.020 . 3 . . . A 250 PHE HE1 . 18758 1 559 . 1 1 50 50 PHE HE2 H 1 7.227 0.020 . 3 . . . A 250 PHE HE2 . 18758 1 560 . 1 1 50 50 PHE HZ H 1 7.105 0.020 . 1 . . . A 250 PHE HZ . 18758 1 561 . 1 1 50 50 PHE C C 13 175.400 0.3 . 1 . . . A 250 PHE C . 18758 1 562 . 1 1 50 50 PHE CA C 13 57.100 0.3 . 1 . . . A 250 PHE CA . 18758 1 563 . 1 1 50 50 PHE CB C 13 43.600 0.3 . 1 . . . A 250 PHE CB . 18758 1 564 . 1 1 50 50 PHE CD1 C 13 131.000 0.3 . 1 . . . A 250 PHE CD1 . 18758 1 565 . 1 1 50 50 PHE CD2 C 13 131.000 0.3 . 1 . . . A 250 PHE CD2 . 18758 1 566 . 1 1 50 50 PHE CE1 C 13 130.963 0.3 . 1 . . . A 250 PHE CE1 . 18758 1 567 . 1 1 50 50 PHE CE2 C 13 130.963 0.3 . 1 . . . A 250 PHE CE2 . 18758 1 568 . 1 1 50 50 PHE CZ C 13 131.332 0.3 . 1 . . . A 250 PHE CZ . 18758 1 569 . 1 1 50 50 PHE N N 15 119.556 0.3 . 1 . . . A 250 PHE N . 18758 1 570 . 1 1 51 51 SER H H 1 8.840 0.020 . 1 . . . A 251 SER H . 18758 1 571 . 1 1 51 51 SER HA H 1 4.790 0.020 . 1 . . . A 251 SER HA . 18758 1 572 . 1 1 51 51 SER HB2 H 1 3.850 0.020 . 2 . . . A 251 SER HB2 . 18758 1 573 . 1 1 51 51 SER HB3 H 1 3.920 0.020 . 2 . . . A 251 SER HB3 . 18758 1 574 . 1 1 51 51 SER C C 13 173.300 0.3 . 1 . . . A 251 SER C . 18758 1 575 . 1 1 51 51 SER CA C 13 57.900 0.3 . 1 . . . A 251 SER CA . 18758 1 576 . 1 1 51 51 SER CB C 13 66.300 0.3 . 1 . . . A 251 SER CB . 18758 1 577 . 1 1 51 51 SER N N 15 113.070 0.3 . 1 . . . A 251 SER N . 18758 1 578 . 1 1 52 52 GLU H H 1 8.844 0.020 . 1 . . . A 252 GLU H . 18758 1 579 . 1 1 52 52 GLU HA H 1 3.800 0.020 . 1 . . . A 252 GLU HA . 18758 1 580 . 1 1 52 52 GLU HB2 H 1 2.320 0.020 . 2 . . . A 252 GLU HB2 . 18758 1 581 . 1 1 52 52 GLU HB3 H 1 2.390 0.020 . 2 . . . A 252 GLU HB3 . 18758 1 582 . 1 1 52 52 GLU HG2 H 1 2.190 0.020 . 2 . . . A 252 GLU HG2 . 18758 1 583 . 1 1 52 52 GLU HG3 H 1 2.260 0.020 . 2 . . . A 252 GLU HG3 . 18758 1 584 . 1 1 52 52 GLU C C 13 175.100 0.3 . 1 . . . A 252 GLU C . 18758 1 585 . 1 1 52 52 GLU CA C 13 57.900 0.3 . 1 . . . A 252 GLU CA . 18758 1 586 . 1 1 52 52 GLU CB C 13 27.500 0.3 . 1 . . . A 252 GLU CB . 18758 1 587 . 1 1 52 52 GLU CG C 13 36.500 0.3 . 1 . . . A 252 GLU CG . 18758 1 588 . 1 1 52 52 GLU N N 15 112.900 0.3 . 1 . . . A 252 GLU N . 18758 1 589 . 1 1 53 53 VAL H H 1 9.496 0.020 . 1 . . . A 253 VAL H . 18758 1 590 . 1 1 53 53 VAL HA H 1 3.430 0.020 . 1 . . . A 253 VAL HA . 18758 1 591 . 1 1 53 53 VAL HB H 1 2.000 0.020 . 1 . . . A 253 VAL HB . 18758 1 592 . 1 1 53 53 VAL HG11 H 1 0.870 0.020 . 1 . . . A 253 VAL HG11 . 18758 1 593 . 1 1 53 53 VAL HG12 H 1 0.870 0.020 . 1 . . . A 253 VAL HG12 . 18758 1 594 . 1 1 53 53 VAL HG13 H 1 0.870 0.020 . 1 . . . A 253 VAL HG13 . 18758 1 595 . 1 1 53 53 VAL HG21 H 1 1.110 0.020 . 1 . . . A 253 VAL HG21 . 18758 1 596 . 1 1 53 53 VAL HG22 H 1 1.110 0.020 . 1 . . . A 253 VAL HG22 . 18758 1 597 . 1 1 53 53 VAL HG23 H 1 1.110 0.020 . 1 . . . A 253 VAL HG23 . 18758 1 598 . 1 1 53 53 VAL C C 13 177.600 0.3 . 1 . . . A 253 VAL C . 18758 1 599 . 1 1 53 53 VAL CA C 13 65.300 0.3 . 1 . . . A 253 VAL CA . 18758 1 600 . 1 1 53 53 VAL CB C 13 31.700 0.3 . 1 . . . A 253 VAL CB . 18758 1 601 . 1 1 53 53 VAL CG1 C 13 23.500 0.3 . 1 . . . A 253 VAL CG1 . 18758 1 602 . 1 1 53 53 VAL CG2 C 13 23.100 0.3 . 1 . . . A 253 VAL CG2 . 18758 1 603 . 1 1 53 53 VAL N N 15 121.850 0.3 . 1 . . . A 253 VAL N . 18758 1 604 . 1 1 54 54 GLN H H 1 8.332 0.020 . 1 . . . A 254 GLN H . 18758 1 605 . 1 1 54 54 GLN HA H 1 4.500 0.020 . 1 . . . A 254 GLN HA . 18758 1 606 . 1 1 54 54 GLN HB2 H 1 1.910 0.020 . 1 . . . A 254 GLN HB2 . 18758 1 607 . 1 1 54 54 GLN HB3 H 1 1.910 0.020 . 1 . . . A 254 GLN HB3 . 18758 1 608 . 1 1 54 54 GLN HG2 H 1 2.340 0.020 . 1 . . . A 254 GLN HG2 . 18758 1 609 . 1 1 54 54 GLN HG3 H 1 2.340 0.020 . 1 . . . A 254 GLN HG3 . 18758 1 610 . 1 1 54 54 GLN C C 13 178.100 0.3 . 1 . . . A 254 GLN C . 18758 1 611 . 1 1 54 54 GLN CA C 13 54.800 0.3 . 1 . . . A 254 GLN CA . 18758 1 612 . 1 1 54 54 GLN CB C 13 28.900 0.3 . 1 . . . A 254 GLN CB . 18758 1 613 . 1 1 54 54 GLN CG C 13 33.600 0.3 . 1 . . . A 254 GLN CG . 18758 1 614 . 1 1 54 54 GLN N N 15 124.200 0.3 . 1 . . . A 254 GLN N . 18758 1 615 . 1 1 55 55 GLY H H 1 9.548 0.020 . 1 . . . A 255 GLY H . 18758 1 616 . 1 1 55 55 GLY HA2 H 1 3.400 0.020 . 2 . . . A 255 GLY HA2 . 18758 1 617 . 1 1 55 55 GLY HA3 H 1 4.780 0.020 . 2 . . . A 255 GLY HA3 . 18758 1 618 . 1 1 55 55 GLY C C 13 175.200 0.3 . 1 . . . A 255 GLY C . 18758 1 619 . 1 1 55 55 GLY CA C 13 46.500 0.3 . 1 . . . A 255 GLY CA . 18758 1 620 . 1 1 55 55 GLY N N 15 116.625 0.3 . 1 . . . A 255 GLY N . 18758 1 621 . 1 1 56 56 MET H H 1 6.530 0.020 . 1 . . . A 256 MET H . 18758 1 622 . 1 1 56 56 MET HA H 1 4.440 0.020 . 1 . . . A 256 MET HA . 18758 1 623 . 1 1 56 56 MET HB2 H 1 1.940 0.020 . 1 . . . A 256 MET HB2 . 18758 1 624 . 1 1 56 56 MET HB3 H 1 1.940 0.020 . 1 . . . A 256 MET HB3 . 18758 1 625 . 1 1 56 56 MET HG2 H 1 3.140 0.020 . 1 . . . A 256 MET HG2 . 18758 1 626 . 1 1 56 56 MET HG3 H 1 3.140 0.020 . 1 . . . A 256 MET HG3 . 18758 1 627 . 1 1 56 56 MET HE1 H 1 2.120 0.020 . 1 . . . A 256 MET HE1 . 18758 1 628 . 1 1 56 56 MET HE2 H 1 2.120 0.020 . 1 . . . A 256 MET HE2 . 18758 1 629 . 1 1 56 56 MET HE3 H 1 2.120 0.020 . 1 . . . A 256 MET HE3 . 18758 1 630 . 1 1 56 56 MET C C 13 176.500 0.3 . 1 . . . A 256 MET C . 18758 1 631 . 1 1 56 56 MET CA C 13 54.500 0.3 . 1 . . . A 256 MET CA . 18758 1 632 . 1 1 56 56 MET CB C 13 34.200 0.3 . 1 . . . A 256 MET CB . 18758 1 633 . 1 1 56 56 MET CG C 13 32.700 0.3 . 1 . . . A 256 MET CG . 18758 1 634 . 1 1 56 56 MET CE C 13 16.800 0.3 . 1 . . . A 256 MET CE . 18758 1 635 . 1 1 56 56 MET N N 15 127.475 0.3 . 1 . . . A 256 MET N . 18758 1 636 . 1 1 57 57 ILE H H 1 7.603 0.020 . 1 . . . A 257 ILE H . 18758 1 637 . 1 1 57 57 ILE HA H 1 3.670 0.020 . 1 . . . A 257 ILE HA . 18758 1 638 . 1 1 57 57 ILE HB H 1 2.130 0.020 . 1 . . . A 257 ILE HB . 18758 1 639 . 1 1 57 57 ILE HG12 H 1 1.030 0.020 . 1 . . . A 257 ILE HG12 . 18758 1 640 . 1 1 57 57 ILE HG13 H 1 1.030 0.020 . 1 . . . A 257 ILE HG13 . 18758 1 641 . 1 1 57 57 ILE HG21 H 1 0.910 0.020 . 1 . . . A 257 ILE HG21 . 18758 1 642 . 1 1 57 57 ILE HG22 H 1 0.910 0.020 . 1 . . . A 257 ILE HG22 . 18758 1 643 . 1 1 57 57 ILE HG23 H 1 0.910 0.020 . 1 . . . A 257 ILE HG23 . 18758 1 644 . 1 1 57 57 ILE HD11 H 1 0.820 0.020 . 1 . . . A 257 ILE HD11 . 18758 1 645 . 1 1 57 57 ILE HD12 H 1 0.820 0.020 . 1 . . . A 257 ILE HD12 . 18758 1 646 . 1 1 57 57 ILE HD13 H 1 0.820 0.020 . 1 . . . A 257 ILE HD13 . 18758 1 647 . 1 1 57 57 ILE C C 13 178.100 0.3 . 1 . . . A 257 ILE C . 18758 1 648 . 1 1 57 57 ILE CA C 13 63.700 0.3 . 1 . . . A 257 ILE CA . 18758 1 649 . 1 1 57 57 ILE CB C 13 37.200 0.3 . 1 . . . A 257 ILE CB . 18758 1 650 . 1 1 57 57 ILE CG1 C 13 25.800 0.3 . 1 . . . A 257 ILE CG1 . 18758 1 651 . 1 1 57 57 ILE CG2 C 13 19.000 0.3 . 1 . . . A 257 ILE CG2 . 18758 1 652 . 1 1 57 57 ILE CD1 C 13 13.800 0.3 . 1 . . . A 257 ILE CD1 . 18758 1 653 . 1 1 57 57 ILE N N 15 114.067 0.3 . 1 . . . A 257 ILE N . 18758 1 654 . 1 1 58 58 GLN H H 1 8.412 0.020 . 1 . . . A 258 GLN H . 18758 1 655 . 1 1 58 58 GLN HA H 1 3.640 0.020 . 1 . . . A 258 GLN HA . 18758 1 656 . 1 1 58 58 GLN HB2 H 1 0.470 0.020 . 2 . . . A 258 GLN HB2 . 18758 1 657 . 1 1 58 58 GLN HB3 H 1 0.830 0.020 . 2 . . . A 258 GLN HB3 . 18758 1 658 . 1 1 58 58 GLN HG2 H 1 2.367 0.020 . 2 . . . A 258 GLN HG2 . 18758 1 659 . 1 1 58 58 GLN HG3 H 1 2.190 0.020 . 2 . . . A 258 GLN HG3 . 18758 1 660 . 1 1 58 58 GLN HE21 H 1 7.210 0.020 . 1 . . . A 258 GLN HE21 . 18758 1 661 . 1 1 58 58 GLN HE22 H 1 7.616 0.020 . 1 . . . A 258 GLN HE22 . 18758 1 662 . 1 1 58 58 GLN C C 13 177.800 0.3 . 1 . . . A 258 GLN C . 18758 1 663 . 1 1 58 58 GLN CA C 13 59.600 0.3 . 1 . . . A 258 GLN CA . 18758 1 664 . 1 1 58 58 GLN CB C 13 24.312 0.3 . 1 . . . A 258 GLN CB . 18758 1 665 . 1 1 58 58 GLN CG C 13 34.618 0.3 . 1 . . . A 258 GLN CG . 18758 1 666 . 1 1 58 58 GLN N N 15 121.541 0.3 . 1 . . . A 258 GLN N . 18758 1 667 . 1 1 58 58 GLN NE2 N 15 111.211 0.3 . 1 . . . A 258 GLN NE2 . 18758 1 668 . 1 1 59 59 LEU H H 1 7.100 0.020 . 1 . . . A 259 LEU H . 18758 1 669 . 1 1 59 59 LEU HA H 1 3.950 0.020 . 1 . . . A 259 LEU HA . 18758 1 670 . 1 1 59 59 LEU HB2 H 1 0.993 0.020 . 2 . . . A 259 LEU HB2 . 18758 1 671 . 1 1 59 59 LEU HB3 H 1 1.280 0.020 . 2 . . . A 259 LEU HB3 . 18758 1 672 . 1 1 59 59 LEU HG H 1 1.320 0.020 . 1 . . . A 259 LEU HG . 18758 1 673 . 1 1 59 59 LEU HD11 H 1 0.327 0.020 . 1 . . . A 259 LEU HD11 . 18758 1 674 . 1 1 59 59 LEU HD12 H 1 0.327 0.020 . 1 . . . A 259 LEU HD12 . 18758 1 675 . 1 1 59 59 LEU HD13 H 1 0.327 0.020 . 1 . . . A 259 LEU HD13 . 18758 1 676 . 1 1 59 59 LEU HD21 H 1 0.510 0.020 . 1 . . . A 259 LEU HD21 . 18758 1 677 . 1 1 59 59 LEU HD22 H 1 0.510 0.020 . 1 . . . A 259 LEU HD22 . 18758 1 678 . 1 1 59 59 LEU HD23 H 1 0.510 0.020 . 1 . . . A 259 LEU HD23 . 18758 1 679 . 1 1 59 59 LEU C C 13 178.100 0.3 . 1 . . . A 259 LEU C . 18758 1 680 . 1 1 59 59 LEU CA C 13 56.200 0.3 . 1 . . . A 259 LEU CA . 18758 1 681 . 1 1 59 59 LEU CB C 13 41.859 0.3 . 1 . . . A 259 LEU CB . 18758 1 682 . 1 1 59 59 LEU CG C 13 26.800 0.3 . 1 . . . A 259 LEU CG . 18758 1 683 . 1 1 59 59 LEU CD1 C 13 25.765 0.3 . 1 . . . A 259 LEU CD1 . 18758 1 684 . 1 1 59 59 LEU CD2 C 13 22.700 0.3 . 1 . . . A 259 LEU CD2 . 18758 1 685 . 1 1 59 59 LEU N N 15 113.497 0.3 . 1 . . . A 259 LEU N . 18758 1 686 . 1 1 60 60 ASN H H 1 7.084 0.020 . 1 . . . A 260 ASN H . 18758 1 687 . 1 1 60 60 ASN HA H 1 4.620 0.020 . 1 . . . A 260 ASN HA . 18758 1 688 . 1 1 60 60 ASN HB2 H 1 2.760 0.020 . 2 . . . A 260 ASN HB2 . 18758 1 689 . 1 1 60 60 ASN HB3 H 1 2.810 0.020 . 2 . . . A 260 ASN HB3 . 18758 1 690 . 1 1 60 60 ASN HD21 H 1 7.240 0.020 . 1 . . . A 260 ASN HD21 . 18758 1 691 . 1 1 60 60 ASN HD22 H 1 7.783 0.020 . 1 . . . A 260 ASN HD22 . 18758 1 692 . 1 1 60 60 ASN C C 13 177.200 0.3 . 1 . . . A 260 ASN C . 18758 1 693 . 1 1 60 60 ASN CA C 13 54.300 0.3 . 1 . . . A 260 ASN CA . 18758 1 694 . 1 1 60 60 ASN CB C 13 37.659 0.3 . 1 . . . A 260 ASN CB . 18758 1 695 . 1 1 60 60 ASN N N 15 115.282 0.3 . 1 . . . A 260 ASN N . 18758 1 696 . 1 1 60 60 ASN ND2 N 15 110.997 0.3 . 1 . . . A 260 ASN ND2 . 18758 1 697 . 1 1 61 61 GLY H H 1 8.588 0.020 . 1 . . . A 261 GLY H . 18758 1 698 . 1 1 61 61 GLY HA2 H 1 3.890 0.020 . 2 . . . A 261 GLY HA2 . 18758 1 699 . 1 1 61 61 GLY HA3 H 1 4.180 0.020 . 2 . . . A 261 GLY HA3 . 18758 1 700 . 1 1 61 61 GLY C C 13 174.900 0.3 . 1 . . . A 261 GLY C . 18758 1 701 . 1 1 61 61 GLY CA C 13 45.900 0.3 . 1 . . . A 261 GLY CA . 18758 1 702 . 1 1 61 61 GLY N N 15 110.497 0.3 . 1 . . . A 261 GLY N . 18758 1 703 . 1 1 62 62 CYS H H 1 7.403 0.020 . 1 . . . A 262 CYS H . 18758 1 704 . 1 1 62 62 CYS HA H 1 4.570 0.020 . 1 . . . A 262 CYS HA . 18758 1 705 . 1 1 62 62 CYS HB2 H 1 3.373 0.020 . 2 . . . A 262 CYS HB2 . 18758 1 706 . 1 1 62 62 CYS HB3 H 1 3.013 0.020 . 2 . . . A 262 CYS HB3 . 18758 1 707 . 1 1 62 62 CYS C C 13 175.100 0.3 . 1 . . . A 262 CYS C . 18758 1 708 . 1 1 62 62 CYS CA C 13 58.000 0.3 . 1 . . . A 262 CYS CA . 18758 1 709 . 1 1 62 62 CYS CB C 13 29.030 0.3 . 1 . . . A 262 CYS CB . 18758 1 710 . 1 1 62 62 CYS N N 15 116.756 0.3 . 1 . . . A 262 CYS N . 18758 1 711 . 1 1 63 63 GLN H H 1 8.670 0.020 . 1 . . . A 263 GLN H . 18758 1 712 . 1 1 63 63 GLN HA H 1 4.450 0.020 . 1 . . . A 263 GLN HA . 18758 1 713 . 1 1 63 63 GLN HB2 H 1 2.050 0.020 . 2 . . . A 263 GLN HB2 . 18758 1 714 . 1 1 63 63 GLN HB3 H 1 2.190 0.020 . 2 . . . A 263 GLN HB3 . 18758 1 715 . 1 1 63 63 GLN HG2 H 1 2.560 0.020 . 1 . . . A 263 GLN HG2 . 18758 1 716 . 1 1 63 63 GLN HG3 H 1 2.560 0.020 . 1 . . . A 263 GLN HG3 . 18758 1 717 . 1 1 63 63 GLN HE21 H 1 6.920 0.020 . 1 . . . A 263 GLN HE21 . 18758 1 718 . 1 1 63 63 GLN HE22 H 1 7.706 0.020 . 1 . . . A 263 GLN HE22 . 18758 1 719 . 1 1 63 63 GLN CA C 13 54.900 0.3 . 1 . . . A 263 GLN CA . 18758 1 720 . 1 1 63 63 GLN CB C 13 27.300 0.3 . 1 . . . A 263 GLN CB . 18758 1 721 . 1 1 63 63 GLN CG C 13 33.669 0.3 . 1 . . . A 263 GLN CG . 18758 1 722 . 1 1 63 63 GLN N N 15 122.456 0.3 . 1 . . . A 263 GLN N . 18758 1 723 . 1 1 63 63 GLN NE2 N 15 112.956 0.3 . 1 . . . A 263 GLN NE2 . 18758 1 724 . 1 1 64 64 PRO HA H 1 4.540 0.020 . 1 . . . A 264 PRO HA . 18758 1 725 . 1 1 64 64 PRO HB2 H 1 1.920 0.020 . 2 . . . A 264 PRO HB2 . 18758 1 726 . 1 1 64 64 PRO HB3 H 1 1.850 0.020 . 2 . . . A 264 PRO HB3 . 18758 1 727 . 1 1 64 64 PRO HG2 H 1 1.910 0.020 . 2 . . . A 264 PRO HG2 . 18758 1 728 . 1 1 64 64 PRO HG3 H 1 2.090 0.020 . 2 . . . A 264 PRO HG3 . 18758 1 729 . 1 1 64 64 PRO HD2 H 1 3.570 0.020 . 2 . . . A 264 PRO HD2 . 18758 1 730 . 1 1 64 64 PRO HD3 H 1 3.940 0.020 . 2 . . . A 264 PRO HD3 . 18758 1 731 . 1 1 64 64 PRO C C 13 176.000 0.3 . 1 . . . A 264 PRO C . 18758 1 732 . 1 1 64 64 PRO CA C 13 63.800 0.3 . 1 . . . A 264 PRO CA . 18758 1 733 . 1 1 64 64 PRO CB C 13 32.200 0.3 . 1 . . . A 264 PRO CB . 18758 1 734 . 1 1 64 64 PRO CG C 13 28.782 0.3 . 1 . . . A 264 PRO CG . 18758 1 735 . 1 1 64 64 PRO CD C 13 50.300 0.3 . 1 . . . A 264 PRO CD . 18758 1 736 . 1 1 65 65 MET H H 1 9.112 0.020 . 1 . . . A 265 MET H . 18758 1 737 . 1 1 65 65 MET HA H 1 4.960 0.020 . 1 . . . A 265 MET HA . 18758 1 738 . 1 1 65 65 MET HB2 H 1 2.130 0.020 . 1 . . . A 265 MET HB2 . 18758 1 739 . 1 1 65 65 MET HB3 H 1 2.130 0.020 . 1 . . . A 265 MET HB3 . 18758 1 740 . 1 1 65 65 MET HG2 H 1 2.610 0.020 . 2 . . . A 265 MET HG2 . 18758 1 741 . 1 1 65 65 MET HG3 H 1 2.727 0.020 . 2 . . . A 265 MET HG3 . 18758 1 742 . 1 1 65 65 MET HE1 H 1 2.450 0.020 . 1 . . . A 265 MET HE1 . 18758 1 743 . 1 1 65 65 MET HE2 H 1 2.450 0.020 . 1 . . . A 265 MET HE2 . 18758 1 744 . 1 1 65 65 MET HE3 H 1 2.450 0.020 . 1 . . . A 265 MET HE3 . 18758 1 745 . 1 1 65 65 MET C C 13 173.600 0.3 . 1 . . . A 265 MET C . 18758 1 746 . 1 1 65 65 MET CA C 13 53.900 0.3 . 1 . . . A 265 MET CA . 18758 1 747 . 1 1 65 65 MET CB C 13 36.100 0.3 . 1 . . . A 265 MET CB . 18758 1 748 . 1 1 65 65 MET CG C 13 30.577 0.3 . 1 . . . A 265 MET CG . 18758 1 749 . 1 1 65 65 MET CE C 13 18.400 0.3 . 1 . . . A 265 MET CE . 18758 1 750 . 1 1 65 65 MET N N 15 121.911 0.3 . 1 . . . A 265 MET N . 18758 1 751 . 1 1 66 66 GLU H H 1 8.368 0.020 . 1 . . . A 266 GLU H . 18758 1 752 . 1 1 66 66 GLU HA H 1 3.850 0.020 . 1 . . . A 266 GLU HA . 18758 1 753 . 1 1 66 66 GLU HB2 H 1 1.313 0.020 . 2 . . . A 266 GLU HB2 . 18758 1 754 . 1 1 66 66 GLU HB3 H 1 1.417 0.020 . 2 . . . A 266 GLU HB3 . 18758 1 755 . 1 1 66 66 GLU HG2 H 1 1.500 0.020 . 2 . . . A 266 GLU HG2 . 18758 1 756 . 1 1 66 66 GLU HG3 H 1 1.830 0.020 . 2 . . . A 266 GLU HG3 . 18758 1 757 . 1 1 66 66 GLU C C 13 177.800 0.3 . 1 . . . A 266 GLU C . 18758 1 758 . 1 1 66 66 GLU CA C 13 55.800 0.3 . 1 . . . A 266 GLU CA . 18758 1 759 . 1 1 66 66 GLU CB C 13 30.594 0.3 . 1 . . . A 266 GLU CB . 18758 1 760 . 1 1 66 66 GLU CG C 13 36.194 0.3 . 1 . . . A 266 GLU CG . 18758 1 761 . 1 1 66 66 GLU N N 15 125.641 0.3 . 1 . . . A 266 GLU N . 18758 1 762 . 1 1 67 67 ILE H H 1 7.952 0.020 . 1 . . . A 267 ILE H . 18758 1 763 . 1 1 67 67 ILE HA H 1 5.440 0.020 . 1 . . . A 267 ILE HA . 18758 1 764 . 1 1 67 67 ILE HB H 1 1.873 0.020 . 1 . . . A 267 ILE HB . 18758 1 765 . 1 1 67 67 ILE HG12 H 1 0.950 0.020 . 2 . . . A 267 ILE HG12 . 18758 1 766 . 1 1 67 67 ILE HG13 H 1 1.050 0.020 . 2 . . . A 267 ILE HG13 . 18758 1 767 . 1 1 67 67 ILE HG21 H 1 0.630 0.020 . 1 . . . A 267 ILE HG21 . 18758 1 768 . 1 1 67 67 ILE HG22 H 1 0.630 0.020 . 1 . . . A 267 ILE HG22 . 18758 1 769 . 1 1 67 67 ILE HG23 H 1 0.630 0.020 . 1 . . . A 267 ILE HG23 . 18758 1 770 . 1 1 67 67 ILE HD11 H 1 -0.037 0.020 . 1 . . . A 267 ILE HD11 . 18758 1 771 . 1 1 67 67 ILE HD12 H 1 -0.037 0.020 . 1 . . . A 267 ILE HD12 . 18758 1 772 . 1 1 67 67 ILE HD13 H 1 -0.037 0.020 . 1 . . . A 267 ILE HD13 . 18758 1 773 . 1 1 67 67 ILE C C 13 177.000 0.3 . 1 . . . A 267 ILE C . 18758 1 774 . 1 1 67 67 ILE CA C 13 59.400 0.3 . 1 . . . A 267 ILE CA . 18758 1 775 . 1 1 67 67 ILE CB C 13 41.577 0.3 . 1 . . . A 267 ILE CB . 18758 1 776 . 1 1 67 67 ILE CG1 C 13 25.200 0.3 . 1 . . . A 267 ILE CG1 . 18758 1 777 . 1 1 67 67 ILE CG2 C 13 20.400 0.3 . 1 . . . A 267 ILE CG2 . 18758 1 778 . 1 1 67 67 ILE CD1 C 13 14.600 0.3 . 1 . . . A 267 ILE CD1 . 18758 1 779 . 1 1 67 67 ILE N N 15 117.256 0.3 . 1 . . . A 267 ILE N . 18758 1 780 . 1 1 68 68 LYS H H 1 7.924 0.020 . 1 . . . A 268 LYS H . 18758 1 781 . 1 1 68 68 LYS HA H 1 4.670 0.020 . 1 . . . A 268 LYS HA . 18758 1 782 . 1 1 68 68 LYS HB2 H 1 1.770 0.020 . 2 . . . A 268 LYS HB2 . 18758 1 783 . 1 1 68 68 LYS HB3 H 1 1.850 0.020 . 2 . . . A 268 LYS HB3 . 18758 1 784 . 1 1 68 68 LYS HG2 H 1 1.234 0.020 . 2 . . . A 268 LYS HG2 . 18758 1 785 . 1 1 68 68 LYS HG3 H 1 1.377 0.020 . 2 . . . A 268 LYS HG3 . 18758 1 786 . 1 1 68 68 LYS HD2 H 1 1.520 0.020 . 2 . . . A 268 LYS HD2 . 18758 1 787 . 1 1 68 68 LYS HD3 H 1 1.570 0.020 . 2 . . . A 268 LYS HD3 . 18758 1 788 . 1 1 68 68 LYS HE2 H 1 2.840 0.020 . 2 . . . A 268 LYS HE2 . 18758 1 789 . 1 1 68 68 LYS HE3 H 1 2.851 0.020 . 2 . . . A 268 LYS HE3 . 18758 1 790 . 1 1 68 68 LYS C C 13 175.600 0.3 . 1 . . . A 268 LYS C . 18758 1 791 . 1 1 68 68 LYS CA C 13 55.800 0.3 . 1 . . . A 268 LYS CA . 18758 1 792 . 1 1 68 68 LYS CB C 13 34.000 0.3 . 1 . . . A 268 LYS CB . 18758 1 793 . 1 1 68 68 LYS CG C 13 24.674 0.3 . 1 . . . A 268 LYS CG . 18758 1 794 . 1 1 68 68 LYS CD C 13 29.600 0.3 . 1 . . . A 268 LYS CD . 18758 1 795 . 1 1 68 68 LYS CE C 13 41.967 0.3 . 1 . . . A 268 LYS CE . 18758 1 796 . 1 1 68 68 LYS N N 15 121.375 0.3 . 1 . . . A 268 LYS N . 18758 1 797 . 1 1 69 69 VAL H H 1 8.903 0.020 . 1 . . . A 269 VAL H . 18758 1 798 . 1 1 69 69 VAL HA H 1 3.940 0.020 . 1 . . . A 269 VAL HA . 18758 1 799 . 1 1 69 69 VAL HB H 1 2.150 0.020 . 1 . . . A 269 VAL HB . 18758 1 800 . 1 1 69 69 VAL HG11 H 1 0.790 0.020 . 1 . . . A 269 VAL HG11 . 18758 1 801 . 1 1 69 69 VAL HG12 H 1 0.790 0.020 . 1 . . . A 269 VAL HG12 . 18758 1 802 . 1 1 69 69 VAL HG13 H 1 0.790 0.020 . 1 . . . A 269 VAL HG13 . 18758 1 803 . 1 1 69 69 VAL HG21 H 1 1.240 0.020 . 1 . . . A 269 VAL HG21 . 18758 1 804 . 1 1 69 69 VAL HG22 H 1 1.240 0.020 . 1 . . . A 269 VAL HG22 . 18758 1 805 . 1 1 69 69 VAL HG23 H 1 1.240 0.020 . 1 . . . A 269 VAL HG23 . 18758 1 806 . 1 1 69 69 VAL C C 13 175.800 0.3 . 1 . . . A 269 VAL C . 18758 1 807 . 1 1 69 69 VAL CA C 13 65.500 0.3 . 1 . . . A 269 VAL CA . 18758 1 808 . 1 1 69 69 VAL CB C 13 31.800 0.3 . 1 . . . A 269 VAL CB . 18758 1 809 . 1 1 69 69 VAL CG1 C 13 23.600 0.3 . 1 . . . A 269 VAL CG1 . 18758 1 810 . 1 1 69 69 VAL CG2 C 13 22.400 0.3 . 1 . . . A 269 VAL CG2 . 18758 1 811 . 1 1 69 69 VAL N N 15 126.326 0.3 . 1 . . . A 269 VAL N . 18758 1 812 . 1 1 70 70 LEU H H 1 8.094 0.020 . 1 . . . A 270 LEU H . 18758 1 813 . 1 1 70 70 LEU HA H 1 4.570 0.020 . 1 . . . A 270 LEU HA . 18758 1 814 . 1 1 70 70 LEU HB2 H 1 1.570 0.020 . 2 . . . A 270 LEU HB2 . 18758 1 815 . 1 1 70 70 LEU HB3 H 1 1.520 0.020 . 2 . . . A 270 LEU HB3 . 18758 1 816 . 1 1 70 70 LEU HG H 1 1.690 0.020 . 1 . . . A 270 LEU HG . 18758 1 817 . 1 1 70 70 LEU HD11 H 1 0.830 0.020 . 1 . . . A 270 LEU HD11 . 18758 1 818 . 1 1 70 70 LEU HD12 H 1 0.830 0.020 . 1 . . . A 270 LEU HD12 . 18758 1 819 . 1 1 70 70 LEU HD13 H 1 0.830 0.020 . 1 . . . A 270 LEU HD13 . 18758 1 820 . 1 1 70 70 LEU HD21 H 1 0.810 0.020 . 1 . . . A 270 LEU HD21 . 18758 1 821 . 1 1 70 70 LEU HD22 H 1 0.810 0.020 . 1 . . . A 270 LEU HD22 . 18758 1 822 . 1 1 70 70 LEU HD23 H 1 0.810 0.020 . 1 . . . A 270 LEU HD23 . 18758 1 823 . 1 1 70 70 LEU C C 13 176.300 0.3 . 1 . . . A 270 LEU C . 18758 1 824 . 1 1 70 70 LEU CA C 13 54.800 0.3 . 1 . . . A 270 LEU CA . 18758 1 825 . 1 1 70 70 LEU CB C 13 43.300 0.3 . 1 . . . A 270 LEU CB . 18758 1 826 . 1 1 70 70 LEU CG C 13 27.100 0.3 . 1 . . . A 270 LEU CG . 18758 1 827 . 1 1 70 70 LEU CD1 C 13 26.600 0.3 . 1 . . . A 270 LEU CD1 . 18758 1 828 . 1 1 70 70 LEU CD2 C 13 22.300 0.3 . 1 . . . A 270 LEU CD2 . 18758 1 829 . 1 1 70 70 LEU N N 15 129.100 0.3 . 1 . . . A 270 LEU N . 18758 1 830 . 1 1 71 71 GLY H H 1 8.155 0.020 . 1 . . . A 271 GLY H . 18758 1 831 . 1 1 71 71 GLY HA2 H 1 4.120 0.020 . 1 . . . A 271 GLY HA2 . 18758 1 832 . 1 1 71 71 GLY HA3 H 1 4.120 0.020 . 1 . . . A 271 GLY HA3 . 18758 1 833 . 1 1 71 71 GLY CA C 13 45.000 0.3 . 1 . . . A 271 GLY CA . 18758 1 834 . 1 1 71 71 GLY N N 15 109.811 0.3 . 1 . . . A 271 GLY N . 18758 1 835 . 1 1 72 72 PRO HA H 1 4.010 0.020 . 1 . . . A 272 PRO HA . 18758 1 836 . 1 1 72 72 PRO HB2 H 1 1.990 0.020 . 2 . . . A 272 PRO HB2 . 18758 1 837 . 1 1 72 72 PRO HB3 H 1 1.123 0.020 . 2 . . . A 272 PRO HB3 . 18758 1 838 . 1 1 72 72 PRO HG2 H 1 1.860 0.020 . 1 . . . A 272 PRO HG2 . 18758 1 839 . 1 1 72 72 PRO HG3 H 1 1.860 0.020 . 1 . . . A 272 PRO HG3 . 18758 1 840 . 1 1 72 72 PRO HD2 H 1 3.520 0.020 . 2 . . . A 272 PRO HD2 . 18758 1 841 . 1 1 72 72 PRO HD3 H 1 3.670 0.020 . 2 . . . A 272 PRO HD3 . 18758 1 842 . 1 1 72 72 PRO CA C 13 64.200 0.3 . 1 . . . A 272 PRO CA . 18758 1 843 . 1 1 72 72 PRO CB C 13 31.512 0.3 . 1 . . . A 272 PRO CB . 18758 1 844 . 1 1 72 72 PRO CG C 13 27.000 0.3 . 1 . . . A 272 PRO CG . 18758 1 845 . 1 1 72 72 PRO CD C 13 50.900 0.3 . 1 . . . A 272 PRO CD . 18758 1 846 . 1 1 73 73 TYR H H 1 8.286 0.020 . 1 . . . A 273 TYR H . 18758 1 847 . 1 1 73 73 TYR HA H 1 5.070 0.020 . 1 . . . A 273 TYR HA . 18758 1 848 . 1 1 73 73 TYR HB2 H 1 2.960 0.020 . 2 . . . A 273 TYR HB2 . 18758 1 849 . 1 1 73 73 TYR HB3 H 1 3.250 0.020 . 2 . . . A 273 TYR HB3 . 18758 1 850 . 1 1 73 73 TYR HD1 H 1 7.032 0.020 . 3 . . . A 273 TYR HD1 . 18758 1 851 . 1 1 73 73 TYR HD2 H 1 7.032 0.020 . 3 . . . A 273 TYR HD2 . 18758 1 852 . 1 1 73 73 TYR HE1 H 1 6.665 0.020 . 3 . . . A 273 TYR HE1 . 18758 1 853 . 1 1 73 73 TYR HE2 H 1 6.665 0.020 . 3 . . . A 273 TYR HE2 . 18758 1 854 . 1 1 73 73 TYR C C 13 175.700 0.3 . 1 . . . A 273 TYR C . 18758 1 855 . 1 1 73 73 TYR CA C 13 56.500 0.3 . 1 . . . A 273 TYR CA . 18758 1 856 . 1 1 73 73 TYR CB C 13 39.900 0.3 . 1 . . . A 273 TYR CB . 18758 1 857 . 1 1 73 73 TYR CD1 C 13 133.737 0.3 . 1 . . . A 273 TYR CD1 . 18758 1 858 . 1 1 73 73 TYR CE1 C 13 118.112 0.3 . 1 . . . A 273 TYR CE1 . 18758 1 859 . 1 1 73 73 TYR N N 15 110.250 0.3 . 1 . . . A 273 TYR N . 18758 1 860 . 1 1 74 74 THR H H 1 7.322 0.020 . 1 . . . A 274 THR H . 18758 1 861 . 1 1 74 74 THR HA H 1 5.990 0.020 . 1 . . . A 274 THR HA . 18758 1 862 . 1 1 74 74 THR HB H 1 3.790 0.020 . 1 . . . A 274 THR HB . 18758 1 863 . 1 1 74 74 THR HG21 H 1 1.200 0.020 . 1 . . . A 274 THR HG21 . 18758 1 864 . 1 1 74 74 THR HG22 H 1 1.200 0.020 . 1 . . . A 274 THR HG22 . 18758 1 865 . 1 1 74 74 THR HG23 H 1 1.200 0.020 . 1 . . . A 274 THR HG23 . 18758 1 866 . 1 1 74 74 THR C C 13 175.400 0.3 . 1 . . . A 274 THR C . 18758 1 867 . 1 1 74 74 THR CA C 13 59.500 0.3 . 1 . . . A 274 THR CA . 18758 1 868 . 1 1 74 74 THR CB C 13 73.400 0.3 . 1 . . . A 274 THR CB . 18758 1 869 . 1 1 74 74 THR CG2 C 13 23.400 0.3 . 1 . . . A 274 THR CG2 . 18758 1 870 . 1 1 74 74 THR N N 15 109.652 0.3 . 1 . . . A 274 THR N . 18758 1 871 . 1 1 75 75 PHE H H 1 8.450 0.020 . 1 . . . A 275 PHE H . 18758 1 872 . 1 1 75 75 PHE HA H 1 5.230 0.020 . 1 . . . A 275 PHE HA . 18758 1 873 . 1 1 75 75 PHE HB2 H 1 3.150 0.020 . 2 . . . A 275 PHE HB2 . 18758 1 874 . 1 1 75 75 PHE HB3 H 1 2.960 0.020 . 2 . . . A 275 PHE HB3 . 18758 1 875 . 1 1 75 75 PHE HD1 H 1 6.512 0.020 . 3 . . . A 275 PHE HD1 . 18758 1 876 . 1 1 75 75 PHE HD2 H 1 6.512 0.020 . 3 . . . A 275 PHE HD2 . 18758 1 877 . 1 1 75 75 PHE HE1 H 1 6.836 0.020 . 3 . . . A 275 PHE HE1 . 18758 1 878 . 1 1 75 75 PHE HE2 H 1 6.836 0.020 . 3 . . . A 275 PHE HE2 . 18758 1 879 . 1 1 75 75 PHE HZ H 1 6.724 0.020 . 1 . . . A 275 PHE HZ . 18758 1 880 . 1 1 75 75 PHE C C 13 171.600 0.3 . 1 . . . A 275 PHE C . 18758 1 881 . 1 1 75 75 PHE CA C 13 56.600 0.3 . 1 . . . A 275 PHE CA . 18758 1 882 . 1 1 75 75 PHE CB C 13 41.400 0.3 . 1 . . . A 275 PHE CB . 18758 1 883 . 1 1 75 75 PHE CD2 C 13 132.825 0.3 . 1 . . . A 275 PHE CD2 . 18758 1 884 . 1 1 75 75 PHE CE2 C 13 127.256 0.3 . 1 . . . A 275 PHE CE2 . 18758 1 885 . 1 1 75 75 PHE CZ C 13 130.500 0.3 . 1 . . . A 275 PHE CZ . 18758 1 886 . 1 1 75 75 PHE N N 15 117.511 0.3 . 1 . . . A 275 PHE N . 18758 1 887 . 1 1 76 76 SER H H 1 10.234 0.020 . 1 . . . A 276 SER H . 18758 1 888 . 1 1 76 76 SER HA H 1 5.750 0.020 . 1 . . . A 276 SER HA . 18758 1 889 . 1 1 76 76 SER HB2 H 1 4.080 0.020 . 2 . . . A 276 SER HB2 . 18758 1 890 . 1 1 76 76 SER HB3 H 1 3.640 0.020 . 2 . . . A 276 SER HB3 . 18758 1 891 . 1 1 76 76 SER C C 13 175.000 0.3 . 1 . . . A 276 SER C . 18758 1 892 . 1 1 76 76 SER CA C 13 56.400 0.3 . 1 . . . A 276 SER CA . 18758 1 893 . 1 1 76 76 SER CB C 13 66.700 0.3 . 1 . . . A 276 SER CB . 18758 1 894 . 1 1 76 76 SER N N 15 116.875 0.3 . 1 . . . A 276 SER N . 18758 1 895 . 1 1 77 77 ILE H H 1 8.372 0.020 . 1 . . . A 277 ILE H . 18758 1 896 . 1 1 77 77 ILE HA H 1 4.880 0.020 . 1 . . . A 277 ILE HA . 18758 1 897 . 1 1 77 77 ILE HB H 1 2.520 0.020 . 1 . . . A 277 ILE HB . 18758 1 898 . 1 1 77 77 ILE HG12 H 1 1.880 0.020 . 1 . . . A 277 ILE HG12 . 18758 1 899 . 1 1 77 77 ILE HG13 H 1 1.880 0.020 . 1 . . . A 277 ILE HG13 . 18758 1 900 . 1 1 77 77 ILE HG21 H 1 1.230 0.020 . 1 . . . A 277 ILE HG21 . 18758 1 901 . 1 1 77 77 ILE HG22 H 1 1.230 0.020 . 1 . . . A 277 ILE HG22 . 18758 1 902 . 1 1 77 77 ILE HG23 H 1 1.230 0.020 . 1 . . . A 277 ILE HG23 . 18758 1 903 . 1 1 77 77 ILE HD11 H 1 0.860 0.020 . 1 . . . A 277 ILE HD11 . 18758 1 904 . 1 1 77 77 ILE HD12 H 1 0.860 0.020 . 1 . . . A 277 ILE HD12 . 18758 1 905 . 1 1 77 77 ILE HD13 H 1 0.860 0.020 . 1 . . . A 277 ILE HD13 . 18758 1 906 . 1 1 77 77 ILE C C 13 174.700 0.3 . 1 . . . A 277 ILE C . 18758 1 907 . 1 1 77 77 ILE CA C 13 59.900 0.3 . 1 . . . A 277 ILE CA . 18758 1 908 . 1 1 77 77 ILE CB C 13 39.400 0.3 . 1 . . . A 277 ILE CB . 18758 1 909 . 1 1 77 77 ILE CG1 C 13 26.100 0.3 . 1 . . . A 277 ILE CG1 . 18758 1 910 . 1 1 77 77 ILE CG2 C 13 20.500 0.3 . 1 . . . A 277 ILE CG2 . 18758 1 911 . 1 1 77 77 ILE CD1 C 13 15.100 0.3 . 1 . . . A 277 ILE CD1 . 18758 1 912 . 1 1 77 77 ILE N N 15 112.382 0.3 . 1 . . . A 277 ILE N . 18758 1 913 . 1 1 78 78 CYS H H 1 6.890 0.020 . 1 . . . A 278 CYS H . 18758 1 914 . 1 1 78 78 CYS HA H 1 4.870 0.020 . 1 . . . A 278 CYS HA . 18758 1 915 . 1 1 78 78 CYS HB2 H 1 3.010 0.020 . 2 . . . A 278 CYS HB2 . 18758 1 916 . 1 1 78 78 CYS HB3 H 1 3.610 0.020 . 2 . . . A 278 CYS HB3 . 18758 1 917 . 1 1 78 78 CYS C C 13 172.700 0.3 . 1 . . . A 278 CYS C . 18758 1 918 . 1 1 78 78 CYS CA C 13 56.100 0.3 . 1 . . . A 278 CYS CA . 18758 1 919 . 1 1 78 78 CYS CB C 13 30.859 0.3 . 1 . . . A 278 CYS CB . 18758 1 920 . 1 1 78 78 CYS N N 15 117.170 0.3 . 1 . . . A 278 CYS N . 18758 1 921 . 1 1 79 79 ASP H H 1 8.387 0.020 . 1 . . . A 279 ASP H . 18758 1 922 . 1 1 79 79 ASP HA H 1 4.680 0.020 . 1 . . . A 279 ASP HA . 18758 1 923 . 1 1 79 79 ASP HB2 H 1 2.670 0.020 . 1 . . . A 279 ASP HB2 . 18758 1 924 . 1 1 79 79 ASP HB3 H 1 2.670 0.020 . 1 . . . A 279 ASP HB3 . 18758 1 925 . 1 1 79 79 ASP C C 13 177.200 0.3 . 1 . . . A 279 ASP C . 18758 1 926 . 1 1 79 79 ASP CA C 13 55.700 0.3 . 1 . . . A 279 ASP CA . 18758 1 927 . 1 1 79 79 ASP CB C 13 40.000 0.3 . 1 . . . A 279 ASP CB . 18758 1 928 . 1 1 79 79 ASP N N 15 117.241 0.3 . 1 . . . A 279 ASP N . 18758 1 929 . 1 1 80 80 THR H H 1 8.845 0.020 . 1 . . . A 280 THR H . 18758 1 930 . 1 1 80 80 THR HA H 1 3.270 0.020 . 1 . . . A 280 THR HA . 18758 1 931 . 1 1 80 80 THR HB H 1 4.670 0.020 . 1 . . . A 280 THR HB . 18758 1 932 . 1 1 80 80 THR HG21 H 1 1.110 0.020 . 1 . . . A 280 THR HG21 . 18758 1 933 . 1 1 80 80 THR HG22 H 1 1.110 0.020 . 1 . . . A 280 THR HG22 . 18758 1 934 . 1 1 80 80 THR HG23 H 1 1.110 0.020 . 1 . . . A 280 THR HG23 . 18758 1 935 . 1 1 80 80 THR C C 13 176.400 0.3 . 1 . . . A 280 THR C . 18758 1 936 . 1 1 80 80 THR CA C 13 60.300 0.3 . 1 . . . A 280 THR CA . 18758 1 937 . 1 1 80 80 THR CB C 13 68.600 0.3 . 1 . . . A 280 THR CB . 18758 1 938 . 1 1 80 80 THR CG2 C 13 23.400 0.3 . 1 . . . A 280 THR CG2 . 18758 1 939 . 1 1 80 80 THR N N 15 121.511 0.3 . 1 . . . A 280 THR N . 18758 1 940 . 1 1 81 81 SER H H 1 8.302 0.020 . 1 . . . A 281 SER H . 18758 1 941 . 1 1 81 81 SER HA H 1 4.290 0.020 . 1 . . . A 281 SER HA . 18758 1 942 . 1 1 81 81 SER HB2 H 1 3.410 0.020 . 1 . . . A 281 SER HB2 . 18758 1 943 . 1 1 81 81 SER HB3 H 1 3.410 0.020 . 1 . . . A 281 SER HB3 . 18758 1 944 . 1 1 81 81 SER C C 13 174.300 0.3 . 1 . . . A 281 SER C . 18758 1 945 . 1 1 81 81 SER CA C 13 62.900 0.3 . 1 . . . A 281 SER CA . 18758 1 946 . 1 1 81 81 SER CB C 13 63.000 0.3 . 1 . . . A 281 SER CB . 18758 1 947 . 1 1 81 81 SER N N 15 118.311 0.3 . 1 . . . A 281 SER N . 18758 1 948 . 1 1 82 82 ASN H H 1 8.177 0.020 . 1 . . . A 282 ASN H . 18758 1 949 . 1 1 82 82 ASN HA H 1 5.020 0.020 . 1 . . . A 282 ASN HA . 18758 1 950 . 1 1 82 82 ASN HB2 H 1 2.460 0.020 . 2 . . . A 282 ASN HB2 . 18758 1 951 . 1 1 82 82 ASN HB3 H 1 2.890 0.020 . 2 . . . A 282 ASN HB3 . 18758 1 952 . 1 1 82 82 ASN HD21 H 1 6.790 0.020 . 1 . . . A 282 ASN HD21 . 18758 1 953 . 1 1 82 82 ASN HD22 H 1 7.412 0.020 . 1 . . . A 282 ASN HD22 . 18758 1 954 . 1 1 82 82 ASN C C 13 175.700 0.3 . 1 . . . A 282 ASN C . 18758 1 955 . 1 1 82 82 ASN CA C 13 52.300 0.3 . 1 . . . A 282 ASN CA . 18758 1 956 . 1 1 82 82 ASN CB C 13 39.100 0.3 . 1 . . . A 282 ASN CB . 18758 1 957 . 1 1 82 82 ASN N N 15 116.341 0.3 . 1 . . . A 282 ASN N . 18758 1 958 . 1 1 82 82 ASN ND2 N 15 113.456 0.3 . 1 . . . A 282 ASN ND2 . 18758 1 959 . 1 1 83 83 PHE H H 1 7.602 0.020 . 1 . . . A 283 PHE H . 18758 1 960 . 1 1 83 83 PHE HA H 1 4.760 0.020 . 1 . . . A 283 PHE HA . 18758 1 961 . 1 1 83 83 PHE HB2 H 1 3.420 0.020 . 1 . . . A 283 PHE HB2 . 18758 1 962 . 1 1 83 83 PHE HB3 H 1 3.420 0.020 . 1 . . . A 283 PHE HB3 . 18758 1 963 . 1 1 83 83 PHE HD1 H 1 7.087 0.020 . 3 . . . A 283 PHE HD1 . 18758 1 964 . 1 1 83 83 PHE HD2 H 1 7.087 0.020 . 3 . . . A 283 PHE HD2 . 18758 1 965 . 1 1 83 83 PHE HE1 H 1 7.323 0.020 . 3 . . . A 283 PHE HE1 . 18758 1 966 . 1 1 83 83 PHE HE2 H 1 7.323 0.020 . 3 . . . A 283 PHE HE2 . 18758 1 967 . 1 1 83 83 PHE HZ H 1 7.217 0.020 . 1 . . . A 283 PHE HZ . 18758 1 968 . 1 1 83 83 PHE C C 13 174.800 0.3 . 1 . . . A 283 PHE C . 18758 1 969 . 1 1 83 83 PHE CA C 13 53.000 0.3 . 1 . . . A 283 PHE CA . 18758 1 970 . 1 1 83 83 PHE CB C 13 37.747 0.3 . 1 . . . A 283 PHE CB . 18758 1 971 . 1 1 83 83 PHE CD2 C 13 129.274 0.3 . 1 . . . A 283 PHE CD2 . 18758 1 972 . 1 1 83 83 PHE CE2 C 13 128.701 0.3 . 1 . . . A 283 PHE CE2 . 18758 1 973 . 1 1 83 83 PHE CZ C 13 129.570 0.3 . 1 . . . A 283 PHE CZ . 18758 1 974 . 1 1 83 83 PHE N N 15 121.126 0.3 . 1 . . . A 283 PHE N . 18758 1 975 . 1 1 84 84 SER H H 1 8.080 0.020 . 1 . . . A 284 SER H . 18758 1 976 . 1 1 84 84 SER HA H 1 4.540 0.020 . 1 . . . A 284 SER HA . 18758 1 977 . 1 1 84 84 SER HB2 H 1 3.990 0.020 . 2 . . . A 284 SER HB2 . 18758 1 978 . 1 1 84 84 SER HB3 H 1 4.120 0.020 . 2 . . . A 284 SER HB3 . 18758 1 979 . 1 1 84 84 SER C C 13 172.200 0.3 . 1 . . . A 284 SER C . 18758 1 980 . 1 1 84 84 SER CA C 13 59.200 0.3 . 1 . . . A 284 SER CA . 18758 1 981 . 1 1 84 84 SER CB C 13 63.800 0.3 . 1 . . . A 284 SER CB . 18758 1 982 . 1 1 84 84 SER N N 15 115.267 0.3 . 1 . . . A 284 SER N . 18758 1 983 . 1 1 85 85 ASP H H 1 7.902 0.020 . 1 . . . A 285 ASP H . 18758 1 984 . 1 1 85 85 ASP HA H 1 4.130 0.020 . 1 . . . A 285 ASP HA . 18758 1 985 . 1 1 85 85 ASP HB2 H 1 2.400 0.020 . 2 . . . A 285 ASP HB2 . 18758 1 986 . 1 1 85 85 ASP HB3 H 1 2.480 0.020 . 2 . . . A 285 ASP HB3 . 18758 1 987 . 1 1 85 85 ASP C C 13 176.100 0.3 . 1 . . . A 285 ASP C . 18758 1 988 . 1 1 85 85 ASP CA C 13 55.700 0.3 . 1 . . . A 285 ASP CA . 18758 1 989 . 1 1 85 85 ASP CB C 13 40.700 0.3 . 1 . . . A 285 ASP CB . 18758 1 990 . 1 1 85 85 ASP N N 15 117.352 0.3 . 1 . . . A 285 ASP N . 18758 1 991 . 1 1 86 86 TYR H H 1 9.200 0.020 . 1 . . . A 286 TYR H . 18758 1 992 . 1 1 86 86 TYR HA H 1 3.870 0.020 . 1 . . . A 286 TYR HA . 18758 1 993 . 1 1 86 86 TYR HB2 H 1 3.140 0.020 . 1 . . . A 286 TYR HB2 . 18758 1 994 . 1 1 86 86 TYR HB3 H 1 3.140 0.020 . 1 . . . A 286 TYR HB3 . 18758 1 995 . 1 1 86 86 TYR HD1 H 1 6.860 0.020 . 3 . . . A 286 TYR HD1 . 18758 1 996 . 1 1 86 86 TYR HD2 H 1 7.214 0.020 . 3 . . . A 286 TYR HD2 . 18758 1 997 . 1 1 86 86 TYR HE1 H 1 6.744 0.020 . 3 . . . A 286 TYR HE1 . 18758 1 998 . 1 1 86 86 TYR HE2 H 1 6.744 0.020 . 3 . . . A 286 TYR HE2 . 18758 1 999 . 1 1 86 86 TYR C C 13 175.100 0.3 . 1 . . . A 286 TYR C . 18758 1 1000 . 1 1 86 86 TYR CA C 13 61.200 0.3 . 1 . . . A 286 TYR CA . 18758 1 1001 . 1 1 86 86 TYR CB C 13 39.900 0.3 . 1 . . . A 286 TYR CB . 18758 1 1002 . 1 1 86 86 TYR CD2 C 13 131.592 0.3 . 1 . . . A 286 TYR CD2 . 18758 1 1003 . 1 1 86 86 TYR CE2 C 13 118.061 0.3 . 1 . . . A 286 TYR CE2 . 18758 1 1004 . 1 1 86 86 TYR N N 15 121.600 0.3 . 1 . . . A 286 TYR N . 18758 1 1005 . 1 1 87 87 ILE H H 1 7.180 0.020 . 1 . . . A 287 ILE H . 18758 1 1006 . 1 1 87 87 ILE HA H 1 4.040 0.020 . 1 . . . A 287 ILE HA . 18758 1 1007 . 1 1 87 87 ILE HB H 1 0.807 0.020 . 1 . . . A 287 ILE HB . 18758 1 1008 . 1 1 87 87 ILE HG12 H 1 1.440 0.020 . 1 . . . A 287 ILE HG12 . 18758 1 1009 . 1 1 87 87 ILE HG13 H 1 1.440 0.020 . 1 . . . A 287 ILE HG13 . 18758 1 1010 . 1 1 87 87 ILE HG21 H 1 0.740 0.020 . 1 . . . A 287 ILE HG21 . 18758 1 1011 . 1 1 87 87 ILE HG22 H 1 0.740 0.020 . 1 . . . A 287 ILE HG22 . 18758 1 1012 . 1 1 87 87 ILE HG23 H 1 0.740 0.020 . 1 . . . A 287 ILE HG23 . 18758 1 1013 . 1 1 87 87 ILE HD11 H 1 0.770 0.020 . 1 . . . A 287 ILE HD11 . 18758 1 1014 . 1 1 87 87 ILE HD12 H 1 0.770 0.020 . 1 . . . A 287 ILE HD12 . 18758 1 1015 . 1 1 87 87 ILE HD13 H 1 0.770 0.020 . 1 . . . A 287 ILE HD13 . 18758 1 1016 . 1 1 87 87 ILE C C 13 173.800 0.3 . 1 . . . A 287 ILE C . 18758 1 1017 . 1 1 87 87 ILE CA C 13 63.100 0.3 . 1 . . . A 287 ILE CA . 18758 1 1018 . 1 1 87 87 ILE CB C 13 40.982 0.3 . 1 . . . A 287 ILE CB . 18758 1 1019 . 1 1 87 87 ILE CG1 C 13 27.500 0.3 . 1 . . . A 287 ILE CG1 . 18758 1 1020 . 1 1 87 87 ILE CG2 C 13 16.600 0.3 . 1 . . . A 287 ILE CG2 . 18758 1 1021 . 1 1 87 87 ILE CD1 C 13 13.100 0.3 . 1 . . . A 287 ILE CD1 . 18758 1 1022 . 1 1 87 87 ILE N N 15 126.000 0.3 . 1 . . . A 287 ILE N . 18758 1 1023 . 1 1 88 88 ARG H H 1 6.310 0.020 . 1 . . . A 288 ARG H . 18758 1 1024 . 1 1 88 88 ARG HA H 1 4.510 0.020 . 1 . . . A 288 ARG HA . 18758 1 1025 . 1 1 88 88 ARG HB2 H 1 1.720 0.020 . 2 . . . A 288 ARG HB2 . 18758 1 1026 . 1 1 88 88 ARG HB3 H 1 2.110 0.020 . 2 . . . A 288 ARG HB3 . 18758 1 1027 . 1 1 88 88 ARG HG2 H 1 1.160 0.020 . 1 . . . A 288 ARG HG2 . 18758 1 1028 . 1 1 88 88 ARG HG3 H 1 1.160 0.020 . 1 . . . A 288 ARG HG3 . 18758 1 1029 . 1 1 88 88 ARG HD2 H 1 3.060 0.020 . 2 . . . A 288 ARG HD2 . 18758 1 1030 . 1 1 88 88 ARG HD3 H 1 3.190 0.020 . 2 . . . A 288 ARG HD3 . 18758 1 1031 . 1 1 88 88 ARG C C 13 173.800 0.3 . 1 . . . A 288 ARG C . 18758 1 1032 . 1 1 88 88 ARG CA C 13 56.000 0.3 . 1 . . . A 288 ARG CA . 18758 1 1033 . 1 1 88 88 ARG CB C 13 31.000 0.3 . 1 . . . A 288 ARG CB . 18758 1 1034 . 1 1 88 88 ARG CG C 13 25.400 0.3 . 1 . . . A 288 ARG CG . 18758 1 1035 . 1 1 88 88 ARG CD C 13 42.947 0.3 . 1 . . . A 288 ARG CD . 18758 1 1036 . 1 1 88 88 ARG N N 15 111.075 0.3 . 1 . . . A 288 ARG N . 18758 1 1037 . 1 1 89 89 GLY H H 1 8.540 0.020 . 1 . . . A 289 GLY H . 18758 1 1038 . 1 1 89 89 GLY HA2 H 1 4.110 0.020 . 2 . . . A 289 GLY HA2 . 18758 1 1039 . 1 1 89 89 GLY HA3 H 1 4.300 0.020 . 2 . . . A 289 GLY HA3 . 18758 1 1040 . 1 1 89 89 GLY C C 13 174.000 0.3 . 1 . . . A 289 GLY C . 18758 1 1041 . 1 1 89 89 GLY CA C 13 44.900 0.3 . 1 . . . A 289 GLY CA . 18758 1 1042 . 1 1 89 89 GLY N N 15 105.011 0.3 . 1 . . . A 289 GLY N . 18758 1 1043 . 1 1 90 90 GLY H H 1 8.172 0.020 . 1 . . . A 290 GLY H . 18758 1 1044 . 1 1 90 90 GLY HA2 H 1 4.120 0.020 . 2 . . . A 290 GLY HA2 . 18758 1 1045 . 1 1 90 90 GLY HA3 H 1 4.680 0.020 . 2 . . . A 290 GLY HA3 . 18758 1 1046 . 1 1 90 90 GLY C C 13 173.400 0.3 . 1 . . . A 290 GLY C . 18758 1 1047 . 1 1 90 90 GLY CA C 13 44.600 0.3 . 1 . . . A 290 GLY CA . 18758 1 1048 . 1 1 90 90 GLY N N 15 105.652 0.3 . 1 . . . A 290 GLY N . 18758 1 1049 . 1 1 91 91 ILE H H 1 9.396 0.020 . 1 . . . A 291 ILE H . 18758 1 1050 . 1 1 91 91 ILE HA H 1 4.930 0.020 . 1 . . . A 291 ILE HA . 18758 1 1051 . 1 1 91 91 ILE HB H 1 1.760 0.020 . 1 . . . A 291 ILE HB . 18758 1 1052 . 1 1 91 91 ILE HG12 H 1 1.530 0.020 . 1 . . . A 291 ILE HG12 . 18758 1 1053 . 1 1 91 91 ILE HG13 H 1 1.530 0.020 . 1 . . . A 291 ILE HG13 . 18758 1 1054 . 1 1 91 91 ILE HG21 H 1 0.850 0.020 . 1 . . . A 291 ILE HG21 . 18758 1 1055 . 1 1 91 91 ILE HG22 H 1 0.850 0.020 . 1 . . . A 291 ILE HG22 . 18758 1 1056 . 1 1 91 91 ILE HG23 H 1 0.850 0.020 . 1 . . . A 291 ILE HG23 . 18758 1 1057 . 1 1 91 91 ILE HD11 H 1 0.820 0.020 . 1 . . . A 291 ILE HD11 . 18758 1 1058 . 1 1 91 91 ILE HD12 H 1 0.820 0.020 . 1 . . . A 291 ILE HD12 . 18758 1 1059 . 1 1 91 91 ILE HD13 H 1 0.820 0.020 . 1 . . . A 291 ILE HD13 . 18758 1 1060 . 1 1 91 91 ILE C C 13 175.400 0.3 . 1 . . . A 291 ILE C . 18758 1 1061 . 1 1 91 91 ILE CA C 13 60.500 0.3 . 1 . . . A 291 ILE CA . 18758 1 1062 . 1 1 91 91 ILE CB C 13 40.912 0.3 . 1 . . . A 291 ILE CB . 18758 1 1063 . 1 1 91 91 ILE CG1 C 13 27.700 0.3 . 1 . . . A 291 ILE CG1 . 18758 1 1064 . 1 1 91 91 ILE CG2 C 13 17.200 0.3 . 1 . . . A 291 ILE CG2 . 18758 1 1065 . 1 1 91 91 ILE CD1 C 13 13.400 0.3 . 1 . . . A 291 ILE CD1 . 18758 1 1066 . 1 1 91 91 ILE N N 15 126.175 0.3 . 1 . . . A 291 ILE N . 18758 1 1067 . 1 1 92 92 VAL H H 1 9.432 0.020 . 1 . . . A 292 VAL H . 18758 1 1068 . 1 1 92 92 VAL HA H 1 4.960 0.020 . 1 . . . A 292 VAL HA . 18758 1 1069 . 1 1 92 92 VAL HB H 1 1.610 0.020 . 1 . . . A 292 VAL HB . 18758 1 1070 . 1 1 92 92 VAL HG11 H 1 1.110 0.020 . 1 . . . A 292 VAL HG11 . 18758 1 1071 . 1 1 92 92 VAL HG12 H 1 1.110 0.020 . 1 . . . A 292 VAL HG12 . 18758 1 1072 . 1 1 92 92 VAL HG13 H 1 1.110 0.020 . 1 . . . A 292 VAL HG13 . 18758 1 1073 . 1 1 92 92 VAL HG21 H 1 0.340 0.020 . 1 . . . A 292 VAL HG21 . 18758 1 1074 . 1 1 92 92 VAL HG22 H 1 0.340 0.020 . 1 . . . A 292 VAL HG22 . 18758 1 1075 . 1 1 92 92 VAL HG23 H 1 0.340 0.020 . 1 . . . A 292 VAL HG23 . 18758 1 1076 . 1 1 92 92 VAL C C 13 173.100 0.3 . 1 . . . A 292 VAL C . 18758 1 1077 . 1 1 92 92 VAL CA C 13 57.800 0.3 . 1 . . . A 292 VAL CA . 18758 1 1078 . 1 1 92 92 VAL CB C 13 34.350 0.3 . 1 . . . A 292 VAL CB . 18758 1 1079 . 1 1 92 92 VAL CG1 C 13 19.300 0.3 . 1 . . . A 292 VAL CG1 . 18758 1 1080 . 1 1 92 92 VAL CG2 C 13 22.300 0.3 . 1 . . . A 292 VAL CG2 . 18758 1 1081 . 1 1 92 92 VAL N N 15 127.800 0.3 . 1 . . . A 292 VAL N . 18758 1 1082 . 1 1 93 93 SER H H 1 8.620 0.020 . 1 . . . A 293 SER H . 18758 1 1083 . 1 1 93 93 SER HA H 1 5.380 0.020 . 1 . . . A 293 SER HA . 18758 1 1084 . 1 1 93 93 SER HB2 H 1 3.400 0.020 . 2 . . . A 293 SER HB2 . 18758 1 1085 . 1 1 93 93 SER HB3 H 1 3.660 0.020 . 2 . . . A 293 SER HB3 . 18758 1 1086 . 1 1 93 93 SER C C 13 173.300 0.3 . 1 . . . A 293 SER C . 18758 1 1087 . 1 1 93 93 SER CA C 13 56.700 0.3 . 1 . . . A 293 SER CA . 18758 1 1088 . 1 1 93 93 SER CB C 13 66.000 0.3 . 1 . . . A 293 SER CB . 18758 1 1089 . 1 1 93 93 SER N N 15 120.970 0.3 . 1 . . . A 293 SER N . 18758 1 1090 . 1 1 94 94 GLN H H 1 8.400 0.020 . 1 . . . A 294 GLN H . 18758 1 1091 . 1 1 94 94 GLN HA H 1 4.250 0.020 . 1 . . . A 294 GLN HA . 18758 1 1092 . 1 1 94 94 GLN HB2 H 1 1.890 0.020 . 2 . . . A 294 GLN HB2 . 18758 1 1093 . 1 1 94 94 GLN HB3 H 1 1.990 0.020 . 2 . . . A 294 GLN HB3 . 18758 1 1094 . 1 1 94 94 GLN HG2 H 1 1.750 0.020 . 2 . . . A 294 GLN HG2 . 18758 1 1095 . 1 1 94 94 GLN HG3 H 1 2.010 0.020 . 2 . . . A 294 GLN HG3 . 18758 1 1096 . 1 1 94 94 GLN HE21 H 1 6.792 0.020 . 1 . . . A 294 GLN HE21 . 18758 1 1097 . 1 1 94 94 GLN HE22 H 1 7.941 0.020 . 1 . . . A 294 GLN HE22 . 18758 1 1098 . 1 1 94 94 GLN C C 13 175.600 0.3 . 1 . . . A 294 GLN C . 18758 1 1099 . 1 1 94 94 GLN CA C 13 56.200 0.3 . 1 . . . A 294 GLN CA . 18758 1 1100 . 1 1 94 94 GLN CB C 13 30.700 0.3 . 1 . . . A 294 GLN CB . 18758 1 1101 . 1 1 94 94 GLN CG C 13 34.300 0.3 . 1 . . . A 294 GLN CG . 18758 1 1102 . 1 1 94 94 GLN N N 15 122.400 0.3 . 1 . . . A 294 GLN N . 18758 1 1103 . 1 1 94 94 GLN NE2 N 15 114.611 0.3 . 1 . . . A 294 GLN NE2 . 18758 1 1104 . 1 1 95 95 VAL H H 1 8.584 0.020 . 1 . . . A 295 VAL H . 18758 1 1105 . 1 1 95 95 VAL HA H 1 4.110 0.020 . 1 . . . A 295 VAL HA . 18758 1 1106 . 1 1 95 95 VAL HB H 1 1.700 0.020 . 1 . . . A 295 VAL HB . 18758 1 1107 . 1 1 95 95 VAL HG11 H 1 0.750 0.020 . 1 . . . A 295 VAL HG11 . 18758 1 1108 . 1 1 95 95 VAL HG12 H 1 0.750 0.020 . 1 . . . A 295 VAL HG12 . 18758 1 1109 . 1 1 95 95 VAL HG13 H 1 0.750 0.020 . 1 . . . A 295 VAL HG13 . 18758 1 1110 . 1 1 95 95 VAL HG21 H 1 0.730 0.020 . 1 . . . A 295 VAL HG21 . 18758 1 1111 . 1 1 95 95 VAL HG22 H 1 0.730 0.020 . 1 . . . A 295 VAL HG22 . 18758 1 1112 . 1 1 95 95 VAL HG23 H 1 0.730 0.020 . 1 . . . A 295 VAL HG23 . 18758 1 1113 . 1 1 95 95 VAL C C 13 175.500 0.3 . 1 . . . A 295 VAL C . 18758 1 1114 . 1 1 95 95 VAL CA C 13 61.400 0.3 . 1 . . . A 295 VAL CA . 18758 1 1115 . 1 1 95 95 VAL CB C 13 33.600 0.3 . 1 . . . A 295 VAL CB . 18758 1 1116 . 1 1 95 95 VAL CG1 C 13 21.000 0.3 . 1 . . . A 295 VAL CG1 . 18758 1 1117 . 1 1 95 95 VAL CG2 C 13 20.600 0.3 . 1 . . . A 295 VAL CG2 . 18758 1 1118 . 1 1 95 95 VAL N N 15 124.450 0.3 . 1 . . . A 295 VAL N . 18758 1 1119 . 1 1 96 96 LYS H H 1 8.504 0.020 . 1 . . . A 296 LYS H . 18758 1 1120 . 1 1 96 96 LYS HA H 1 4.350 0.020 . 1 . . . A 296 LYS HA . 18758 1 1121 . 1 1 96 96 LYS HB2 H 1 1.670 0.020 . 1 . . . A 296 LYS HB2 . 18758 1 1122 . 1 1 96 96 LYS HB3 H 1 1.670 0.020 . 1 . . . A 296 LYS HB3 . 18758 1 1123 . 1 1 96 96 LYS HG2 H 1 1.380 0.020 . 1 . . . A 296 LYS HG2 . 18758 1 1124 . 1 1 96 96 LYS HG3 H 1 1.380 0.020 . 1 . . . A 296 LYS HG3 . 18758 1 1125 . 1 1 96 96 LYS HD2 H 1 1.570 0.020 . 1 . . . A 296 LYS HD2 . 18758 1 1126 . 1 1 96 96 LYS HD3 H 1 1.570 0.020 . 1 . . . A 296 LYS HD3 . 18758 1 1127 . 1 1 96 96 LYS HE2 H 1 2.906 0.020 . 2 . . . A 296 LYS HE2 . 18758 1 1128 . 1 1 96 96 LYS HE3 H 1 2.897 0.020 . 2 . . . A 296 LYS HE3 . 18758 1 1129 . 1 1 96 96 LYS C C 13 175.800 0.3 . 1 . . . A 296 LYS C . 18758 1 1130 . 1 1 96 96 LYS CA C 13 55.700 0.3 . 1 . . . A 296 LYS CA . 18758 1 1131 . 1 1 96 96 LYS CB C 13 32.300 0.3 . 1 . . . A 296 LYS CB . 18758 1 1132 . 1 1 96 96 LYS CG C 13 24.700 0.3 . 1 . . . A 296 LYS CG . 18758 1 1133 . 1 1 96 96 LYS CD C 13 28.900 0.3 . 1 . . . A 296 LYS CD . 18758 1 1134 . 1 1 96 96 LYS CE C 13 42.226 0.3 . 1 . . . A 296 LYS CE . 18758 1 1135 . 1 1 96 96 LYS N N 15 126.326 0.3 . 1 . . . A 296 LYS N . 18758 1 1136 . 1 1 97 97 VAL H H 1 8.033 0.020 . 1 . . . A 297 VAL H . 18758 1 1137 . 1 1 97 97 VAL HA H 1 4.280 0.020 . 1 . . . A 297 VAL HA . 18758 1 1138 . 1 1 97 97 VAL HB H 1 1.810 0.020 . 1 . . . A 297 VAL HB . 18758 1 1139 . 1 1 97 97 VAL HG11 H 1 0.680 0.020 . 1 . . . A 297 VAL HG11 . 18758 1 1140 . 1 1 97 97 VAL HG12 H 1 0.680 0.020 . 1 . . . A 297 VAL HG12 . 18758 1 1141 . 1 1 97 97 VAL HG13 H 1 0.680 0.020 . 1 . . . A 297 VAL HG13 . 18758 1 1142 . 1 1 97 97 VAL HG21 H 1 0.670 0.020 . 1 . . . A 297 VAL HG21 . 18758 1 1143 . 1 1 97 97 VAL HG22 H 1 0.670 0.020 . 1 . . . A 297 VAL HG22 . 18758 1 1144 . 1 1 97 97 VAL HG23 H 1 0.670 0.020 . 1 . . . A 297 VAL HG23 . 18758 1 1145 . 1 1 97 97 VAL CA C 13 59.500 0.3 . 1 . . . A 297 VAL CA . 18758 1 1146 . 1 1 97 97 VAL CB C 13 32.600 0.3 . 1 . . . A 297 VAL CB . 18758 1 1147 . 1 1 97 97 VAL CG1 C 13 20.800 0.3 . 1 . . . A 297 VAL CG1 . 18758 1 1148 . 1 1 97 97 VAL CG2 C 13 20.800 0.3 . 1 . . . A 297 VAL CG2 . 18758 1 1149 . 1 1 97 97 VAL N N 15 123.000 0.3 . 1 . . . A 297 VAL N . 18758 1 1150 . 1 1 98 98 PRO HA H 1 4.310 0.020 . 1 . . . A 298 PRO HA . 18758 1 1151 . 1 1 98 98 PRO HB2 H 1 2.180 0.020 . 2 . . . A 298 PRO HB2 . 18758 1 1152 . 1 1 98 98 PRO HB3 H 1 1.800 0.020 . 2 . . . A 298 PRO HB3 . 18758 1 1153 . 1 1 98 98 PRO HG2 H 1 1.850 0.020 . 2 . . . A 298 PRO HG2 . 18758 1 1154 . 1 1 98 98 PRO HG3 H 1 1.930 0.020 . 2 . . . A 298 PRO HG3 . 18758 1 1155 . 1 1 98 98 PRO HD2 H 1 3.500 0.020 . 2 . . . A 298 PRO HD2 . 18758 1 1156 . 1 1 98 98 PRO HD3 H 1 3.680 0.020 . 2 . . . A 298 PRO HD3 . 18758 1 1157 . 1 1 98 98 PRO C C 13 176.600 0.3 . 1 . . . A 298 PRO C . 18758 1 1158 . 1 1 98 98 PRO CA C 13 63.100 0.3 . 1 . . . A 298 PRO CA . 18758 1 1159 . 1 1 98 98 PRO CB C 13 32.100 0.3 . 1 . . . A 298 PRO CB . 18758 1 1160 . 1 1 98 98 PRO CG C 13 27.400 0.3 . 1 . . . A 298 PRO CG . 18758 1 1161 . 1 1 98 98 PRO CD C 13 51.000 0.3 . 1 . . . A 298 PRO CD . 18758 1 1162 . 1 1 99 99 LYS H H 1 8.270 0.020 . 1 . . . A 299 LYS H . 18758 1 1163 . 1 1 99 99 LYS HA H 1 4.300 0.020 . 1 . . . A 299 LYS HA . 18758 1 1164 . 1 1 99 99 LYS HB2 H 1 1.823 0.020 . 2 . . . A 299 LYS HB2 . 18758 1 1165 . 1 1 99 99 LYS HB3 H 1 1.670 0.020 . 2 . . . A 299 LYS HB3 . 18758 1 1166 . 1 1 99 99 LYS HG2 H 1 1.418 0.020 . 2 . . . A 299 LYS HG2 . 18758 1 1167 . 1 1 99 99 LYS HG3 H 1 1.373 0.020 . 2 . . . A 299 LYS HG3 . 18758 1 1168 . 1 1 99 99 LYS HD2 H 1 1.568 0.020 . 1 . . . A 299 LYS HD2 . 18758 1 1169 . 1 1 99 99 LYS HD3 H 1 1.568 0.020 . 1 . . . A 299 LYS HD3 . 18758 1 1170 . 1 1 99 99 LYS HE2 H 1 2.905 0.020 . 2 . . . A 299 LYS HE2 . 18758 1 1171 . 1 1 99 99 LYS HE3 H 1 2.857 0.020 . 2 . . . A 299 LYS HE3 . 18758 1 1172 . 1 1 99 99 LYS CA C 13 56.300 0.3 . 1 . . . A 299 LYS CA . 18758 1 1173 . 1 1 99 99 LYS CB C 13 32.167 0.3 . 1 . . . A 299 LYS CB . 18758 1 1174 . 1 1 99 99 LYS CG C 13 24.612 0.3 . 1 . . . A 299 LYS CG . 18758 1 1175 . 1 1 99 99 LYS CD C 13 28.781 0.3 . 1 . . . A 299 LYS CD . 18758 1 1176 . 1 1 99 99 LYS CE C 13 42.100 0.3 . 1 . . . A 299 LYS CE . 18758 1 1177 . 1 1 99 99 LYS N N 15 121.600 0.3 . 1 . . . A 299 LYS N . 18758 1 1178 . 1 1 100 100 LYS H H 1 8.270 0.020 . 1 . . . A 300 LYS H . 18758 1 1179 . 1 1 100 100 LYS HA H 1 4.300 0.020 . 1 . . . A 300 LYS HA . 18758 1 1180 . 1 1 100 100 LYS HB2 H 1 1.730 0.020 . 2 . . . A 300 LYS HB2 . 18758 1 1181 . 1 1 100 100 LYS HB3 H 1 1.698 0.020 . 2 . . . A 300 LYS HB3 . 18758 1 1182 . 1 1 100 100 LYS HG2 H 1 1.333 0.020 . 2 . . . A 300 LYS HG2 . 18758 1 1183 . 1 1 100 100 LYS HG3 H 1 1.373 0.020 . 2 . . . A 300 LYS HG3 . 18758 1 1184 . 1 1 100 100 LYS HD2 H 1 1.580 0.020 . 2 . . . A 300 LYS HD2 . 18758 1 1185 . 1 1 100 100 LYS HD3 H 1 1.568 0.020 . 2 . . . A 300 LYS HD3 . 18758 1 1186 . 1 1 100 100 LYS HE2 H 1 2.953 0.020 . 2 . . . A 300 LYS HE2 . 18758 1 1187 . 1 1 100 100 LYS HE3 H 1 2.983 0.020 . 2 . . . A 300 LYS HE3 . 18758 1 1188 . 1 1 100 100 LYS C C 13 176.300 0.3 . 1 . . . A 300 LYS C . 18758 1 1189 . 1 1 100 100 LYS CA C 13 56.200 0.3 . 1 . . . A 300 LYS CA . 18758 1 1190 . 1 1 100 100 LYS CB C 13 33.200 0.3 . 1 . . . A 300 LYS CB . 18758 1 1191 . 1 1 100 100 LYS CG C 13 24.511 0.3 . 1 . . . A 300 LYS CG . 18758 1 1192 . 1 1 100 100 LYS CD C 13 28.781 0.3 . 1 . . . A 300 LYS CD . 18758 1 1193 . 1 1 100 100 LYS CE C 13 42.100 0.3 . 1 . . . A 300 LYS CE . 18758 1 1194 . 1 1 100 100 LYS N N 15 121.600 0.3 . 1 . . . A 300 LYS N . 18758 1 1195 . 1 1 101 101 ILE H H 1 8.140 0.020 . 1 . . . A 301 ILE H . 18758 1 1196 . 1 1 101 101 ILE HA H 1 4.930 0.020 . 1 . . . A 301 ILE HA . 18758 1 1197 . 1 1 101 101 ILE HB H 1 1.756 0.020 . 1 . . . A 301 ILE HB . 18758 1 1198 . 1 1 101 101 ILE HG12 H 1 1.093 0.020 . 2 . . . A 301 ILE HG12 . 18758 1 1199 . 1 1 101 101 ILE HG13 H 1 1.122 0.020 . 2 . . . A 301 ILE HG13 . 18758 1 1200 . 1 1 101 101 ILE HG21 H 1 0.770 0.020 . 1 . . . A 301 ILE HG21 . 18758 1 1201 . 1 1 101 101 ILE HG22 H 1 0.770 0.020 . 1 . . . A 301 ILE HG22 . 18758 1 1202 . 1 1 101 101 ILE HG23 H 1 0.770 0.020 . 1 . . . A 301 ILE HG23 . 18758 1 1203 . 1 1 101 101 ILE HD11 H 1 0.800 0.020 . 1 . . . A 301 ILE HD11 . 18758 1 1204 . 1 1 101 101 ILE HD12 H 1 0.800 0.020 . 1 . . . A 301 ILE HD12 . 18758 1 1205 . 1 1 101 101 ILE HD13 H 1 0.800 0.020 . 1 . . . A 301 ILE HD13 . 18758 1 1206 . 1 1 101 101 ILE CA C 13 60.900 0.3 . 1 . . . A 301 ILE CA . 18758 1 1207 . 1 1 101 101 ILE CB C 13 41.035 0.3 . 1 . . . A 301 ILE CB . 18758 1 1208 . 1 1 101 101 ILE CG1 C 13 27.200 0.3 . 1 . . . A 301 ILE CG1 . 18758 1 1209 . 1 1 101 101 ILE CG2 C 13 17.600 0.3 . 1 . . . A 301 ILE CG2 . 18758 1 1210 . 1 1 101 101 ILE CD1 C 13 12.900 0.3 . 1 . . . A 301 ILE CD1 . 18758 1 1211 . 1 1 101 101 ILE N N 15 122.500 0.3 . 1 . . . A 301 ILE N . 18758 1 1212 . 1 1 102 102 SER H H 1 8.269 0.020 . 1 . . . A 302 SER H . 18758 1 1213 . 1 1 102 102 SER HA H 1 4.408 0.020 . 1 . . . A 302 SER HA . 18758 1 1214 . 1 1 102 102 SER HB2 H 1 3.830 0.020 . 2 . . . A 302 SER HB2 . 18758 1 1215 . 1 1 102 102 SER HB3 H 1 3.745 0.020 . 2 . . . A 302 SER HB3 . 18758 1 1216 . 1 1 102 102 SER C C 13 173.000 0.3 . 1 . . . A 302 SER C . 18758 1 1217 . 1 1 102 102 SER CA C 13 58.200 0.3 . 1 . . . A 302 SER CA . 18758 1 1218 . 1 1 102 102 SER CB C 13 63.887 0.3 . 1 . . . A 302 SER CB . 18758 1 1219 . 1 1 102 102 SER N N 15 114.296 0.3 . 1 . . . A 302 SER N . 18758 1 1220 . 1 1 103 103 PHE H H 1 7.998 0.020 . 1 . . . A 303 PHE H . 18758 1 1221 . 1 1 103 103 PHE HA H 1 4.656 0.020 . 1 . . . A 303 PHE HA . 18758 1 1222 . 1 1 103 103 PHE HB2 H 1 2.665 0.020 . 2 . . . A 303 PHE HB2 . 18758 1 1223 . 1 1 103 103 PHE HB3 H 1 2.493 0.020 . 2 . . . A 303 PHE HB3 . 18758 1 1224 . 1 1 103 103 PHE HD1 H 1 7.209 0.020 . 3 . . . A 303 PHE HD1 . 18758 1 1225 . 1 1 103 103 PHE HD2 H 1 7.205 0.020 . 3 . . . A 303 PHE HD2 . 18758 1 1226 . 1 1 103 103 PHE HE1 H 1 7.217 0.020 . 3 . . . A 303 PHE HE1 . 18758 1 1227 . 1 1 103 103 PHE HE2 H 1 7.242 0.020 . 3 . . . A 303 PHE HE2 . 18758 1 1228 . 1 1 103 103 PHE HZ H 1 7.298 0.020 . 1 . . . A 303 PHE HZ . 18758 1 1229 . 1 1 103 103 PHE CA C 13 52.700 0.3 . 1 . . . A 303 PHE CA . 18758 1 1230 . 1 1 103 103 PHE CB C 13 39.427 0.3 . 1 . . . A 303 PHE CB . 18758 1 1231 . 1 1 103 103 PHE CD1 C 13 131.285 0.3 . 1 . . . A 303 PHE CD1 . 18758 1 1232 . 1 1 103 103 PHE CD2 C 13 131.306 0.3 . 1 . . . A 303 PHE CD2 . 18758 1 1233 . 1 1 103 103 PHE CE1 C 13 131.103 0.3 . 1 . . . A 303 PHE CE1 . 18758 1 1234 . 1 1 103 103 PHE CE2 C 13 131.436 0.3 . 1 . . . A 303 PHE CE2 . 18758 1 1235 . 1 1 103 103 PHE CZ C 13 131.159 0.3 . 1 . . . A 303 PHE CZ . 18758 1 1236 . 1 1 103 103 PHE N N 15 123.025 0.3 . 1 . . . A 303 PHE N . 18758 1 1237 . 1 1 104 104 LYS HA H 1 4.290 0.020 . 1 . . . A 304 LYS HA . 18758 1 1238 . 1 1 104 104 LYS HB2 H 1 1.682 0.020 . 2 . . . A 304 LYS HB2 . 18758 1 1239 . 1 1 104 104 LYS HB3 H 1 1.727 0.020 . 2 . . . A 304 LYS HB3 . 18758 1 1240 . 1 1 104 104 LYS HG2 H 1 1.375 0.020 . 2 . . . A 304 LYS HG2 . 18758 1 1241 . 1 1 104 104 LYS HG3 H 1 1.346 0.020 . 2 . . . A 304 LYS HG3 . 18758 1 1242 . 1 1 104 104 LYS HD2 H 1 1.560 0.020 . 2 . . . A 304 LYS HD2 . 18758 1 1243 . 1 1 104 104 LYS HD3 H 1 1.581 0.020 . 2 . . . A 304 LYS HD3 . 18758 1 1244 . 1 1 104 104 LYS HE2 H 1 3.033 0.020 . 1 . . . A 304 LYS HE2 . 18758 1 1245 . 1 1 104 104 LYS HE3 H 1 3.033 0.020 . 1 . . . A 304 LYS HE3 . 18758 1 1246 . 1 1 104 104 LYS C C 13 176.000 0.3 . 1 . . . A 304 LYS C . 18758 1 1247 . 1 1 104 104 LYS CA C 13 56.200 0.3 . 1 . . . A 304 LYS CA . 18758 1 1248 . 1 1 104 104 LYS CB C 13 33.300 0.3 . 1 . . . A 304 LYS CB . 18758 1 1249 . 1 1 104 104 LYS CG C 13 24.578 0.3 . 1 . . . A 304 LYS CG . 18758 1 1250 . 1 1 104 104 LYS CD C 13 29.100 0.3 . 1 . . . A 304 LYS CD . 18758 1 1251 . 1 1 104 104 LYS CE C 13 42.000 0.3 . 1 . . . A 304 LYS CE . 18758 1 1252 . 1 1 105 105 SER H H 1 8.168 0.020 . 1 . . . A 305 SER H . 18758 1 1253 . 1 1 105 105 SER HA H 1 4.410 0.020 . 1 . . . A 305 SER HA . 18758 1 1254 . 1 1 105 105 SER HB2 H 1 3.820 0.020 . 1 . . . A 305 SER HB2 . 18758 1 1255 . 1 1 105 105 SER HB3 H 1 3.820 0.020 . 1 . . . A 305 SER HB3 . 18758 1 1256 . 1 1 105 105 SER C C 13 173.900 0.3 . 1 . . . A 305 SER C . 18758 1 1257 . 1 1 105 105 SER CA C 13 58.100 0.3 . 1 . . . A 305 SER CA . 18758 1 1258 . 1 1 105 105 SER CB C 13 63.900 0.3 . 1 . . . A 305 SER CB . 18758 1 1259 . 1 1 105 105 SER N N 15 117.130 0.3 . 1 . . . A 305 SER N . 18758 1 1260 . 1 1 106 106 LEU H H 1 8.214 0.020 . 1 . . . A 306 LEU H . 18758 1 1261 . 1 1 106 106 LEU HA H 1 4.600 0.020 . 1 . . . A 306 LEU HA . 18758 1 1262 . 1 1 106 106 LEU HB2 H 1 1.527 0.020 . 2 . . . A 306 LEU HB2 . 18758 1 1263 . 1 1 106 106 LEU HB3 H 1 1.554 0.020 . 2 . . . A 306 LEU HB3 . 18758 1 1264 . 1 1 106 106 LEU HG H 1 1.528 0.020 . 1 . . . A 306 LEU HG . 18758 1 1265 . 1 1 106 106 LEU HD11 H 1 0.790 0.020 . 1 . . . A 306 LEU HD11 . 18758 1 1266 . 1 1 106 106 LEU HD12 H 1 0.790 0.020 . 1 . . . A 306 LEU HD12 . 18758 1 1267 . 1 1 106 106 LEU HD13 H 1 0.790 0.020 . 1 . . . A 306 LEU HD13 . 18758 1 1268 . 1 1 106 106 LEU HD21 H 1 0.779 0.020 . 1 . . . A 306 LEU HD21 . 18758 1 1269 . 1 1 106 106 LEU HD22 H 1 0.779 0.020 . 1 . . . A 306 LEU HD22 . 18758 1 1270 . 1 1 106 106 LEU HD23 H 1 0.779 0.020 . 1 . . . A 306 LEU HD23 . 18758 1 1271 . 1 1 106 106 LEU CA C 13 53.200 0.3 . 1 . . . A 306 LEU CA . 18758 1 1272 . 1 1 106 106 LEU CB C 13 41.873 0.3 . 1 . . . A 306 LEU CB . 18758 1 1273 . 1 1 106 106 LEU CG C 13 27.363 0.3 . 1 . . . A 306 LEU CG . 18758 1 1274 . 1 1 106 106 LEU CD1 C 13 23.823 0.3 . 1 . . . A 306 LEU CD1 . 18758 1 1275 . 1 1 106 106 LEU CD2 C 13 24.000 0.3 . 1 . . . A 306 LEU CD2 . 18758 1 1276 . 1 1 106 106 LEU N N 15 125.211 0.3 . 1 . . . A 306 LEU N . 18758 1 1277 . 1 1 107 107 PRO HA H 1 4.380 0.020 . 1 . . . A 307 PRO HA . 18758 1 1278 . 1 1 107 107 PRO HB2 H 1 2.280 0.020 . 2 . . . A 307 PRO HB2 . 18758 1 1279 . 1 1 107 107 PRO HB3 H 1 1.900 0.020 . 2 . . . A 307 PRO HB3 . 18758 1 1280 . 1 1 107 107 PRO HG2 H 1 1.969 0.020 . 2 . . . A 307 PRO HG2 . 18758 1 1281 . 1 1 107 107 PRO HG3 H 1 2.056 0.020 . 2 . . . A 307 PRO HG3 . 18758 1 1282 . 1 1 107 107 PRO HD2 H 1 3.807 0.020 . 2 . . . A 307 PRO HD2 . 18758 1 1283 . 1 1 107 107 PRO HD3 H 1 3.596 0.020 . 2 . . . A 307 PRO HD3 . 18758 1 1284 . 1 1 107 107 PRO C C 13 176.700 0.3 . 1 . . . A 307 PRO C . 18758 1 1285 . 1 1 107 107 PRO CA C 13 63.200 0.3 . 1 . . . A 307 PRO CA . 18758 1 1286 . 1 1 107 107 PRO CB C 13 32.000 0.3 . 1 . . . A 307 PRO CB . 18758 1 1287 . 1 1 107 107 PRO CG C 13 27.400 0.3 . 1 . . . A 307 PRO CG . 18758 1 1288 . 1 1 107 107 PRO CD C 13 50.506 0.3 . 1 . . . A 307 PRO CD . 18758 1 1289 . 1 1 108 108 ALA H H 1 8.318 0.020 . 1 . . . A 308 ALA H . 18758 1 1290 . 1 1 108 108 ALA HA H 1 4.260 0.020 . 1 . . . A 308 ALA HA . 18758 1 1291 . 1 1 108 108 ALA HB1 H 1 1.380 0.020 . 1 . . . A 308 ALA HB1 . 18758 1 1292 . 1 1 108 108 ALA HB2 H 1 1.380 0.020 . 1 . . . A 308 ALA HB2 . 18758 1 1293 . 1 1 108 108 ALA HB3 H 1 1.380 0.020 . 1 . . . A 308 ALA HB3 . 18758 1 1294 . 1 1 108 108 ALA C C 13 177.900 0.3 . 1 . . . A 308 ALA C . 18758 1 1295 . 1 1 108 108 ALA CA C 13 52.800 0.3 . 1 . . . A 308 ALA CA . 18758 1 1296 . 1 1 108 108 ALA CB C 13 19.200 0.3 . 1 . . . A 308 ALA CB . 18758 1 1297 . 1 1 108 108 ALA N N 15 123.975 0.3 . 1 . . . A 308 ALA N . 18758 1 1298 . 1 1 109 109 SER H H 1 8.150 0.020 . 1 . . . A 309 SER H . 18758 1 1299 . 1 1 109 109 SER HA H 1 4.380 0.020 . 1 . . . A 309 SER HA . 18758 1 1300 . 1 1 109 109 SER HB2 H 1 3.840 0.020 . 1 . . . A 309 SER HB2 . 18758 1 1301 . 1 1 109 109 SER HB3 H 1 3.840 0.020 . 1 . . . A 309 SER HB3 . 18758 1 1302 . 1 1 109 109 SER C C 13 174.300 0.3 . 1 . . . A 309 SER C . 18758 1 1303 . 1 1 109 109 SER CA C 13 58.200 0.3 . 1 . . . A 309 SER CA . 18758 1 1304 . 1 1 109 109 SER CB C 13 63.800 0.3 . 1 . . . A 309 SER CB . 18758 1 1305 . 1 1 109 109 SER N N 15 114.167 0.3 . 1 . . . A 309 SER N . 18758 1 1306 . 1 1 110 110 LEU H H 1 8.185 0.020 . 1 . . . A 310 LEU H . 18758 1 1307 . 1 1 110 110 LEU HA H 1 4.400 0.020 . 1 . . . A 310 LEU HA . 18758 1 1308 . 1 1 110 110 LEU HB2 H 1 1.617 0.020 . 2 . . . A 310 LEU HB2 . 18758 1 1309 . 1 1 110 110 LEU HB3 H 1 1.620 0.020 . 2 . . . A 310 LEU HB3 . 18758 1 1310 . 1 1 110 110 LEU HG H 1 1.109 0.020 . 1 . . . A 310 LEU HG . 18758 1 1311 . 1 1 110 110 LEU HD11 H 1 0.910 0.020 . 1 . . . A 310 LEU HD11 . 18758 1 1312 . 1 1 110 110 LEU HD12 H 1 0.910 0.020 . 1 . . . A 310 LEU HD12 . 18758 1 1313 . 1 1 110 110 LEU HD13 H 1 0.910 0.020 . 1 . . . A 310 LEU HD13 . 18758 1 1314 . 1 1 110 110 LEU HD21 H 1 0.860 0.020 . 1 . . . A 310 LEU HD21 . 18758 1 1315 . 1 1 110 110 LEU HD22 H 1 0.860 0.020 . 1 . . . A 310 LEU HD22 . 18758 1 1316 . 1 1 110 110 LEU HD23 H 1 0.860 0.020 . 1 . . . A 310 LEU HD23 . 18758 1 1317 . 1 1 110 110 LEU C C 13 176.900 0.3 . 1 . . . A 310 LEU C . 18758 1 1318 . 1 1 110 110 LEU CA C 13 55.300 0.3 . 1 . . . A 310 LEU CA . 18758 1 1319 . 1 1 110 110 LEU CB C 13 42.312 0.3 . 1 . . . A 310 LEU CB . 18758 1 1320 . 1 1 110 110 LEU CG C 13 27.222 0.3 . 1 . . . A 310 LEU CG . 18758 1 1321 . 1 1 110 110 LEU CD1 C 13 24.900 0.3 . 1 . . . A 310 LEU CD1 . 18758 1 1322 . 1 1 110 110 LEU CD2 C 13 23.600 0.3 . 1 . . . A 310 LEU CD2 . 18758 1 1323 . 1 1 110 110 LEU N N 15 123.985 0.3 . 1 . . . A 310 LEU N . 18758 1 1324 . 1 1 111 111 VAL H H 1 7.989 0.020 . 1 . . . A 311 VAL H . 18758 1 1325 . 1 1 111 111 VAL HA H 1 4.130 0.020 . 1 . . . A 311 VAL HA . 18758 1 1326 . 1 1 111 111 VAL HB H 1 2.070 0.020 . 1 . . . A 311 VAL HB . 18758 1 1327 . 1 1 111 111 VAL HG11 H 1 0.930 0.020 . 1 . . . A 311 VAL HG11 . 18758 1 1328 . 1 1 111 111 VAL HG12 H 1 0.930 0.020 . 1 . . . A 311 VAL HG12 . 18758 1 1329 . 1 1 111 111 VAL HG13 H 1 0.930 0.020 . 1 . . . A 311 VAL HG13 . 18758 1 1330 . 1 1 111 111 VAL HG21 H 1 0.910 0.020 . 1 . . . A 311 VAL HG21 . 18758 1 1331 . 1 1 111 111 VAL HG22 H 1 0.910 0.020 . 1 . . . A 311 VAL HG22 . 18758 1 1332 . 1 1 111 111 VAL HG23 H 1 0.910 0.020 . 1 . . . A 311 VAL HG23 . 18758 1 1333 . 1 1 111 111 VAL C C 13 175.100 0.3 . 1 . . . A 311 VAL C . 18758 1 1334 . 1 1 111 111 VAL CA C 13 62.200 0.3 . 1 . . . A 311 VAL CA . 18758 1 1335 . 1 1 111 111 VAL CB C 13 32.900 0.3 . 1 . . . A 311 VAL CB . 18758 1 1336 . 1 1 111 111 VAL CG1 C 13 21.200 0.3 . 1 . . . A 311 VAL CG1 . 18758 1 1337 . 1 1 111 111 VAL CG2 C 13 20.700 0.3 . 1 . . . A 311 VAL CG2 . 18758 1 1338 . 1 1 111 111 VAL N N 15 120.941 0.3 . 1 . . . A 311 VAL N . 18758 1 1339 . 1 1 112 112 GLU H H 1 7.933 0.020 . 1 . . . A 312 GLU H . 18758 1 1340 . 1 1 112 112 GLU HA H 1 4.100 0.020 . 1 . . . A 312 GLU HA . 18758 1 1341 . 1 1 112 112 GLU HB2 H 1 1.871 0.020 . 2 . . . A 312 GLU HB2 . 18758 1 1342 . 1 1 112 112 GLU HB3 H 1 1.755 0.020 . 2 . . . A 312 GLU HB3 . 18758 1 1343 . 1 1 112 112 GLU HG2 H 1 2.027 0.020 . 2 . . . A 312 GLU HG2 . 18758 1 1344 . 1 1 112 112 GLU HG3 H 1 2.009 0.020 . 2 . . . A 312 GLU HG3 . 18758 1 1345 . 1 1 112 112 GLU CA C 13 58.000 0.3 . 1 . . . A 312 GLU CA . 18758 1 1346 . 1 1 112 112 GLU CB C 13 30.206 0.3 . 1 . . . A 312 GLU CB . 18758 1 1347 . 1 1 112 112 GLU CG C 13 36.000 0.3 . 1 . . . A 312 GLU CG . 18758 1 1348 . 1 1 112 112 GLU N N 15 129.750 0.3 . 1 . . . A 312 GLU N . 18758 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 18758 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 400 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 18758 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 PHE N N 15 . 1 1 2 2 PHE H H 1 -0.921 0.07 . . 1 202 Phe N 1 202 Phe H 18758 1 2 . 1 1 3 3 GLY N N 15 . 1 1 3 3 GLY H H 1 -1.805 0.051 . . 1 203 Gly N 1 203 Gly H 18758 1 3 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 -0.465 0.028 . . 1 204 Glu N 1 204 Glu H 18758 1 4 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 -0.374 0.389 . . 1 205 Glu N 1 205 Glu H 18758 1 5 . 1 1 6 6 MET N N 15 . 1 1 6 6 MET H H 1 0.231 0.068 . . 1 206 Met N 1 206 Met H 18758 1 6 . 1 1 7 7 VAL N N 15 . 1 1 7 7 VAL H H 1 0.081 0.161 . . 1 207 Val N 1 207 Val H 18758 1 7 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 -1.505 0.057 . . 1 208 Leu N 1 208 Leu H 18758 1 8 . 1 1 9 9 THR N N 15 . 1 1 9 9 THR H H 1 -1.568 0.096 . . 1 209 Thr N 1 209 Thr H 18758 1 9 . 1 1 10 10 ASP N N 15 . 1 1 10 10 ASP H H 1 -0.557 0.029 . . 1 210 Asp N 1 210 Asp H 18758 1 10 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 -0.656 0.12 . . 1 211 Ser N 1 211 Ser H 18758 1 11 . 1 1 12 12 ASN N N 15 . 1 1 12 12 ASN H H 1 -0.7 0.078 . . 1 212 Asn N 1 212 Asn H 18758 1 12 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 -0.454 0.077 . . 1 213 Gly N 1 213 Gly H 18758 1 13 . 1 1 14 14 GLU N N 15 . 1 1 14 14 GLU H H 1 -0.315 0.037 . . 1 214 Glu N 1 214 Glu H 18758 1 14 . 1 1 15 15 GLN N N 15 . 1 1 15 15 GLN H H 1 0.146 0.03 . . 1 215 Gln N 1 215 Gln H 18758 1 15 . 1 1 17 17 LEU N N 15 . 1 1 17 17 LEU H H 1 0.477 0.039 . . 1 217 Leu N 1 217 Leu H 18758 1 16 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.565 0.038 . . 1 218 Ser N 1 218 Ser H 18758 1 17 . 1 1 19 19 ALA N N 15 . 1 1 19 19 ALA H H 1 0.666 0.033 . . 1 219 Ala N 1 219 Ala H 18758 1 18 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 0.691 0.029 . . 1 220 Met N 1 220 Met H 18758 1 19 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.546 0.027 . . 1 221 Val N 1 221 Val H 18758 1 20 . 1 1 22 22 SER N N 15 . 1 1 22 22 SER H H 1 0.664 0.042 . . 1 222 Ser N 1 222 Ser H 18758 1 21 . 1 1 23 23 MET N N 15 . 1 1 23 23 MET H H 1 0.675 0.025 . . 1 223 Met N 1 223 Met H 18758 1 22 . 1 1 24 24 VAL N N 15 . 1 1 24 24 VAL H H 1 0.688 0.027 . . 1 224 Val N 1 224 Val H 18758 1 23 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.73 0.03 . . 1 225 Thr N 1 225 Thr H 18758 1 24 . 1 1 26 26 LYS N N 15 . 1 1 26 26 LYS H H 1 -0.259 0.024 . . 1 226 Lys N 1 226 Lys H 18758 1 25 . 1 1 27 27 ASP N N 15 . 1 1 27 27 ASP H H 1 0.283 0.035 . . 1 227 Asp N 1 227 Asp H 18758 1 26 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 0.726 0.02 . . 1 228 Asn N 1 228 Asn H 18758 1 27 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.713 0.025 . . 1 230 Gly N 1 230 Gly H 18758 1 28 . 1 1 31 31 VAL N N 15 . 1 1 31 31 VAL H H 1 0.412 0.026 . . 1 231 Val N 1 231 Val H 18758 1 29 . 1 1 32 32 VAL N N 15 . 1 1 32 32 VAL H H 1 0.742 0.034 . . 1 232 Val N 1 232 Val H 18758 1 30 . 1 1 33 33 THR N N 15 . 1 1 33 33 THR H H 1 0.762 0.031 . . 1 233 Thr N 1 233 Thr H 18758 1 31 . 1 1 34 34 CYS N N 15 . 1 1 34 34 CYS H H 1 0.708 0.033 . . 1 234 Cys N 1 234 Cys H 18758 1 32 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.506 0.023 . . 1 235 Leu N 1 235 Leu H 18758 1 33 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.328 0.03 . . 1 236 Asp N 1 236 Asp H 18758 1 34 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 0.559 0.049 . . 1 237 Glu N 1 237 Glu H 18758 1 35 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.529 0.032 . . 1 238 Ala N 1 238 Ala H 18758 1 36 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.519 0.022 . . 1 239 Arg N 1 239 Arg H 18758 1 37 . 1 1 40 40 HIS N N 15 . 1 1 40 40 HIS H H 1 0.619 0.058 . . 1 240 His N 1 240 His H 18758 1 38 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.674 0.026 . . 1 241 Gly N 1 241 Gly H 18758 1 39 . 1 1 43 43 GLU N N 15 . 1 1 43 43 GLU H H 1 0.697 0.031 . . 1 243 Glu N 1 243 Glu H 18758 1 40 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.705 0.023 . . 1 244 Thr N 1 244 Thr H 18758 1 41 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.668 0.035 . . 1 245 Gly N 1 245 Gly H 18758 1 42 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 -2.262 0.027 . . 1 246 Asp N 1 246 Asp H 18758 1 43 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.707 0.033 . . 1 248 Val N 1 248 Val H 18758 1 44 . 1 1 49 49 SER N N 15 . 1 1 49 49 SER H H 1 0.695 0.026 . . 1 249 Ser N 1 249 Ser H 18758 1 45 . 1 1 50 50 PHE N N 15 . 1 1 50 50 PHE H H 1 0.629 0.033 . . 1 250 Phe N 1 250 Phe H 18758 1 46 . 1 1 51 51 SER N N 15 . 1 1 51 51 SER H H 1 0.717 0.023 . . 1 251 Ser N 1 251 Ser H 18758 1 47 . 1 1 52 52 GLU N N 15 . 1 1 52 52 GLU H H 1 0.699 0.025 . . 1 252 Glu N 1 252 Glu H 18758 1 48 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.674 0.024 . . 1 253 Val N 1 253 Val H 18758 1 49 . 1 1 54 54 GLN N N 15 . 1 1 54 54 GLN H H 1 -1.02 0.144 . . 1 254 Gln N 1 254 Gln H 18758 1 50 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY H H 1 0.759 0.035 . . 1 255 Gly N 1 255 Gly H 18758 1 51 . 1 1 56 56 MET N N 15 . 1 1 56 56 MET H H 1 0.682 0.031 . . 1 256 Met N 1 256 Met H 18758 1 52 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.691 0.021 . . 1 257 Ile N 1 257 Ile H 18758 1 53 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.635 0.019 . . 1 258 Gln N 1 258 Gln H 18758 1 54 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.722 0.023 . . 1 259 Leu N 1 259 Leu H 18758 1 55 . 1 1 60 60 ASN N N 15 . 1 1 60 60 ASN H H 1 0.69 0.021 . . 1 260 Asn N 1 260 Asn H 18758 1 56 . 1 1 61 61 GLY N N 15 . 1 1 61 61 GLY H H 1 0.666 0.032 . . 1 261 Gly N 1 261 Gly H 18758 1 57 . 1 1 62 62 CYS N N 15 . 1 1 62 62 CYS H H 1 0.671 0.017 . . 1 262 Cys N 1 262 Cys H 18758 1 58 . 1 1 63 63 GLN N N 15 . 1 1 63 63 GLN H H 1 0.661 0.021 . . 1 263 Gln N 1 263 Gln H 18758 1 59 . 1 1 65 65 MET N N 15 . 1 1 65 65 MET H H 1 0.694 0.037 . . 1 265 Met N 1 265 Met H 18758 1 60 . 1 1 66 66 GLU N N 15 . 1 1 66 66 GLU H H 1 0.641 0.019 . . 1 266 Glu N 1 266 Glu H 18758 1 61 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.379 0.024 . . 1 267 Ile N 1 267 Ile H 18758 1 62 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.596 0.028 . . 1 268 Lys N 1 268 Lys H 18758 1 63 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.736 0.032 . . 1 269 Val N 1 269 Val H 18758 1 64 . 1 1 70 70 LEU N N 15 . 1 1 70 70 LEU H H 1 0.739 0.058 . . 1 270 Leu N 1 270 Leu H 18758 1 65 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.705 0.02 . . 1 271 Gly N 1 271 Gly H 18758 1 66 . 1 1 73 73 TYR N N 15 . 1 1 73 73 TYR H H 1 0.801 0.079 . . 1 273 Tyr N 1 273 Tyr H 18758 1 67 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.662 0.034 . . 1 274 Thr N 1 274 Thr H 18758 1 68 . 1 1 75 75 PHE N N 15 . 1 1 75 75 PHE H H 1 0.669 0.035 . . 1 275 Phe N 1 275 Phe H 18758 1 69 . 1 1 76 76 SER N N 15 . 1 1 76 76 SER H H 1 0.724 0.037 . . 1 276 Ser N 1 276 Ser H 18758 1 70 . 1 1 77 77 ILE N N 15 . 1 1 77 77 ILE H H 1 0.71 0.033 . . 1 277 Ile N 1 277 Ile H 18758 1 71 . 1 1 78 78 CYS N N 15 . 1 1 78 78 CYS H H 1 0.667 0.036 . . 1 278 Cys N 1 278 Cys H 18758 1 72 . 1 1 79 79 ASP N N 15 . 1 1 79 79 ASP H H 1 0.723 0.024 . . 1 279 Asp N 1 279 Asp H 18758 1 73 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.744 0.037 . . 1 280 Thr N 1 280 Thr H 18758 1 74 . 1 1 81 81 SER N N 15 . 1 1 81 81 SER H H 1 0.663 0.023 . . 1 281 Ser N 1 281 Ser H 18758 1 75 . 1 1 82 82 ASN N N 15 . 1 1 82 82 ASN H H 1 -0.889 0.053 . . 1 282 Asn N 1 282 Asn H 18758 1 76 . 1 1 83 83 PHE N N 15 . 1 1 83 83 PHE H H 1 0.64 0.021 . . 1 283 Phe N 1 283 Phe H 18758 1 77 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.647 0.028 . . 1 284 Ser N 1 284 Ser H 18758 1 78 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.669 0.013 . . 1 285 Asp N 1 285 Asp H 18758 1 79 . 1 1 86 86 TYR N N 15 . 1 1 86 86 TYR H H 1 0.718 0.031 . . 1 286 Tyr N 1 286 Tyr H 18758 1 80 . 1 1 87 87 ILE N N 15 . 1 1 87 87 ILE H H 1 0.717 0.033 . . 1 287 Ile N 1 287 Ile H 18758 1 81 . 1 1 88 88 ARG N N 15 . 1 1 88 88 ARG H H 1 0.711 0.019 . . 1 288 Arg N 1 288 Arg H 18758 1 82 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.676 0.023 . . 1 289 Gly N 1 289 Gly H 18758 1 83 . 1 1 90 90 GLY N N 15 . 1 1 90 90 GLY H H 1 0.665 0.024 . . 1 290 Gly N 1 290 Gly H 18758 1 84 . 1 1 91 91 ILE N N 15 . 1 1 91 91 ILE H H 1 0.677 0.032 . . 1 291 Ile N 1 291 Ile H 18758 1 85 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.655 0.031 . . 1 292 Val N 1 292 Val H 18758 1 86 . 1 1 93 93 SER N N 15 . 1 1 93 93 SER H H 1 0.718 0.03 . . 1 293 Ser N 1 293 Ser H 18758 1 87 . 1 1 94 94 GLN N N 15 . 1 1 94 94 GLN H H 1 -0.038 0.026 . . 1 294 Gln N 1 294 Gln H 18758 1 88 . 1 1 95 95 VAL N N 15 . 1 1 95 95 VAL H H 1 0.467 0.018 . . 1 295 Val N 1 295 Val H 18758 1 89 . 1 1 96 96 LYS N N 15 . 1 1 96 96 LYS H H 1 0.489 0.027 . . 1 296 Lys N 1 296 Lys H 18758 1 90 . 1 1 97 97 VAL N N 15 . 1 1 97 97 VAL H H 1 0.081 0.02 . . 1 297 Val N 1 297 Val H 18758 1 91 . 1 1 99 99 LYS N N 15 . 1 1 99 99 LYS H H 1 0.22 0.075 . . 1 299 Lys N 1 299 Lys H 18758 1 92 . 1 1 101 101 ILE N N 15 . 1 1 101 101 ILE H H 1 -0.218 0.089 . . 1 301 Ile N 1 301 Ile H 18758 1 93 . 1 1 103 103 PHE N N 15 . 1 1 103 103 PHE H H 1 0.036 0.073 . . 1 303 Phe N 1 303 Phe H 18758 1 94 . 1 1 105 105 SER N N 15 . 1 1 105 105 SER H H 1 0.678 0.024 . . 1 305 Ser N 1 305 Ser H 18758 1 95 . 1 1 108 108 ALA N N 15 . 1 1 108 108 ALA H H 1 -0.29 0.02 . . 1 308 Ala N 1 308 Ala H 18758 1 96 . 1 1 109 109 SER N N 15 . 1 1 109 109 SER H H 1 -3.321 0.083 . . 1 309 Ser N 1 309 Ser H 18758 1 97 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 -2.53 0.056 . . 1 310 Leu N 1 310 Leu H 18758 1 98 . 1 1 111 111 VAL N N 15 . 1 1 111 111 VAL H H 1 -2.457 0.177 . . 1 311 Val N 1 311 Val H 18758 1 99 . 1 1 112 112 GLU N N 15 . 1 1 112 112 GLU H H 1 -2.306 0.023 . . 1 312 Glu N 1 312 Glu H 18758 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 18758 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 400 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 18758 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 PHE N N 15 2.596 0.073 . . 202 Phe N 18758 1 2 . 1 1 3 3 GLY N N 15 2.528 0.08 . . 203 Gly N 18758 1 3 . 1 1 4 4 GLU N N 15 2.182 0.032 . . 204 Glu N 18758 1 4 . 1 1 5 5 GLU N N 15 2.205 0.023 . . 205 Glu N 18758 1 5 . 1 1 6 6 MET N N 15 2.204 0.052 . . 206 Met N 18758 1 6 . 1 1 7 7 VAL N N 15 1.99 0.015 . . 207 Val N 18758 1 7 . 1 1 8 8 LEU N N 15 2.103 0.018 . . 208 Leu N 18758 1 8 . 1 1 9 9 THR N N 15 2.377 0.063 . . 209 Thr N 18758 1 9 . 1 1 10 10 ASP N N 15 2.439 0.074 . . 210 Asp N 18758 1 10 . 1 1 11 11 SER N N 15 2.628 0.167 . . 211 Ser N 18758 1 11 . 1 1 12 12 ASN N N 15 2.701 0.166 . . 212 Asn N 18758 1 12 . 1 1 13 13 GLY N N 15 2.589 0.115 . . 213 Gly N 18758 1 13 . 1 1 14 14 GLU N N 15 2.373 0.043 . . 214 Glu N 18758 1 14 . 1 1 15 15 GLN N N 15 2.029 0.02 . . 215 Gln N 18758 1 15 . 1 1 17 17 LEU N N 15 2.201 0.023 . . 217 Leu N 18758 1 16 . 1 1 18 18 SER N N 15 2.11 0.022 . . 218 Ser N 18758 1 17 . 1 1 19 19 ALA N N 15 2.208 0.024 . . 219 Ala N 18758 1 18 . 1 1 20 20 MET N N 15 2.072 0.017 . . 220 Met N 18758 1 19 . 1 1 21 21 VAL N N 15 2.264 0.018 . . 221 Val N 18758 1 20 . 1 1 22 22 SER N N 15 2.278 0.022 . . 222 Ser N 18758 1 21 . 1 1 23 23 MET N N 15 2.054 0.035 . . 223 Met N 18758 1 22 . 1 1 24 24 VAL N N 15 2.084 0.013 . . 224 Val N 18758 1 23 . 1 1 25 25 THR N N 15 2.225 0.019 . . 225 Thr N 18758 1 24 . 1 1 26 26 LYS N N 15 2.38 0.064 . . 226 Lys N 18758 1 25 . 1 1 27 27 ASP N N 15 2.135 0.061 . . 227 Asp N 18758 1 26 . 1 1 28 28 ASN N N 15 2.055 0.019 . . 228 Asn N 18758 1 27 . 1 1 30 30 GLY N N 15 2.238 0.016 . . 230 Gly N 18758 1 28 . 1 1 31 31 VAL N N 15 2.199 0.11 . . 231 Val N 18758 1 29 . 1 1 32 32 VAL N N 15 2.23 0.03 . . 232 Val N 18758 1 30 . 1 1 33 33 THR N N 15 2.295 0.035 . . 233 Thr N 18758 1 31 . 1 1 34 34 CYS N N 15 2.343 0.044 . . 234 Cys N 18758 1 32 . 1 1 35 35 LEU N N 15 2.177 0.019 . . 235 Leu N 18758 1 33 . 1 1 36 36 ASP N N 15 2.059 0.023 . . 236 Asp N 18758 1 34 . 1 1 37 37 GLU N N 15 2.086 0.019 . . 237 Glu N 18758 1 35 . 1 1 38 38 ALA N N 15 2.082 0.014 . . 238 Ala N 18758 1 36 . 1 1 39 39 ARG N N 15 2.239 0.056 . . 239 Arg N 18758 1 37 . 1 1 40 40 HIS N N 15 2.263 0.049 . . 240 His N 18758 1 38 . 1 1 41 41 GLY N N 15 2.369 0.031 . . 241 Gly N 18758 1 39 . 1 1 42 42 PHE N N 15 2.392 0.151 . . 242 Phe N 18758 1 40 . 1 1 43 43 GLU N N 15 2.15 0.035 . . 243 Glu N 18758 1 41 . 1 1 44 44 THR N N 15 2.256 0.024 . . 244 Thr N 18758 1 42 . 1 1 45 45 GLY N N 15 2.067 0.013 . . 245 Gly N 18758 1 43 . 1 1 46 46 ASP N N 15 1.363 0.009 . . 246 Asp N 18758 1 44 . 1 1 48 48 VAL N N 15 2.168 0.021 . . 248 Val N 18758 1 45 . 1 1 49 49 SER N N 15 2.282 0.026 . . 249 Ser N 18758 1 46 . 1 1 50 50 PHE N N 15 2.26 0.029 . . 250 Phe N 18758 1 47 . 1 1 51 51 SER N N 15 2.296 0.017 . . 251 Ser N 18758 1 48 . 1 1 53 53 VAL N N 15 2.166 0.011 . . 253 Val N 18758 1 49 . 1 1 54 54 GLN N N 15 2.066 0.066 . . 254 Gln N 18758 1 50 . 1 1 55 55 GLY N N 15 2.642 0.041 . . 255 Gly N 18758 1 51 . 1 1 56 56 MET N N 15 2.239 0.026 . . 256 Met N 18758 1 52 . 1 1 57 57 ILE N N 15 2.072 0.011 . . 257 Ile N 18758 1 53 . 1 1 58 58 GLN N N 15 2.278 0.022 . . 258 Gln N 18758 1 54 . 1 1 59 59 LEU N N 15 2.112 0.021 . . 259 Leu N 18758 1 55 . 1 1 60 60 ASN N N 15 2.116 0.019 . . 260 Asn N 18758 1 56 . 1 1 61 61 GLY N N 15 2.32 0.03 . . 261 Gly N 18758 1 57 . 1 1 62 62 CYS N N 15 2.243 0.014 . . 262 Cys N 18758 1 58 . 1 1 63 63 GLN N N 15 2.351 0.034 . . 263 Gln N 18758 1 59 . 1 1 65 65 MET N N 15 2.185 0.025 . . 265 Met N 18758 1 60 . 1 1 66 66 GLU N N 15 2.19 0.019 . . 266 Glu N 18758 1 61 . 1 1 67 67 ILE N N 15 2.036 0.011 . . 267 Ile N 18758 1 62 . 1 1 68 68 LYS N N 15 2.133 0.033 . . 268 Lys N 18758 1 63 . 1 1 69 69 VAL N N 15 2.166 0.021 . . 269 Val N 18758 1 64 . 1 1 70 70 LEU N N 15 2.407 0.057 . . 270 Leu N 18758 1 65 . 1 1 71 71 GLY N N 15 2.075 0.024 . . 271 Gly N 18758 1 66 . 1 1 73 73 TYR N N 15 2.41 0.031 . . 273 Tyr N 18758 1 67 . 1 1 74 74 THR N N 15 2.468 0.036 . . 274 Thr N 18758 1 68 . 1 1 75 75 PHE N N 15 2.247 0.018 . . 275 Phe N 18758 1 69 . 1 1 76 76 SER N N 15 2.282 0.026 . . 276 Ser N 18758 1 70 . 1 1 77 77 ILE N N 15 2.111 0.028 . . 277 Ile N 18758 1 71 . 1 1 78 78 CYS N N 15 2.18 0.046 . . 278 Cys N 18758 1 72 . 1 1 79 79 ASP N N 15 2.312 0.035 . . 279 Asp N 18758 1 73 . 1 1 80 80 THR N N 15 2.464 0.022 . . 280 Thr N 18758 1 74 . 1 1 81 81 SER N N 15 2.513 0.02 . . 281 Ser N 18758 1 75 . 1 1 82 82 ASN N N 15 2.407 0.091 . . 282 Asn N 18758 1 76 . 1 1 83 83 PHE N N 15 2.307 0.02 . . 283 Phe N 18758 1 77 . 1 1 84 84 SER N N 15 2.105 0.027 . . 284 Ser N 18758 1 78 . 1 1 85 85 ASP N N 15 2.02 0.024 . . 285 Asp N 18758 1 79 . 1 1 86 86 TYR N N 15 2.264 0.016 . . 286 Tyr N 18758 1 80 . 1 1 87 87 ILE N N 15 2.084 0.023 . . 287 Ile N 18758 1 81 . 1 1 88 88 ARG N N 15 2.142 0.008 . . 288 Arg N 18758 1 82 . 1 1 89 89 GLY N N 15 2.204 0.018 . . 289 Gly N 18758 1 83 . 1 1 90 90 GLY N N 15 2.179 0.02 . . 290 Gly N 18758 1 84 . 1 1 91 91 ILE N N 15 2.278 0.022 . . 291 Ile N 18758 1 85 . 1 1 92 92 VAL N N 15 2.282 0.024 . . 292 Val N 18758 1 86 . 1 1 93 93 SER N N 15 2.322 0.018 . . 293 Ser N 18758 1 87 . 1 1 94 94 GLN N N 15 2.166 0.03 . . 294 Gln N 18758 1 88 . 1 1 95 95 VAL N N 15 2.137 0.011 . . 295 Val N 18758 1 89 . 1 1 96 96 LYS N N 15 2.241 0.018 . . 296 Lys N 18758 1 90 . 1 1 97 97 VAL N N 15 1.936 0.01 . . 297 Val N 18758 1 91 . 1 1 99 99 LYS N N 15 2.286 0.037 . . 299 Lys N 18758 1 92 . 1 1 101 101 ILE N N 15 2.306 0.051 . . 301 Ile N 18758 1 93 . 1 1 103 103 PHE N N 15 1.977 0.02 . . 303 Phe N 18758 1 94 . 1 1 105 105 SER N N 15 2.502 0.168 . . 305 Ser N 18758 1 95 . 1 1 106 106 LEU N N 15 2.07 0.047 . . 306 Leu N 18758 1 96 . 1 1 108 108 ALA N N 15 2.092 0.06 . . 308 Ala N 18758 1 97 . 1 1 109 109 SER N N 15 2.221 0.113 . . 309 Ser N 18758 1 98 . 1 1 110 110 LEU N N 15 1.944 0.056 . . 310 Leu N 18758 1 99 . 1 1 111 111 VAL N N 15 1.448 0.042 . . 311 Val N 18758 1 100 . 1 1 112 112 GLU N N 15 1.038 0.002 . . 312 Glu N 18758 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 18758 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 400 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 18758 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 PHE N N 15 5.602 0.054 . . . . 202 Phe N 18758 1 2 . 1 1 3 3 GLY N N 15 4.864 0.089 . . . . 203 Gly N 18758 1 3 . 1 1 4 4 GLU N N 15 5.928 0.08 . . . . 204 Glu N 18758 1 4 . 1 1 5 5 GLU N N 15 4.697 0.034 . . . . 205 Glu N 18758 1 5 . 1 1 6 6 MET N N 15 7.311 0.207 . . . . 206 Met N 18758 1 6 . 1 1 7 7 VAL N N 15 4.627 0.031 . . . . 207 Val N 18758 1 7 . 1 1 8 8 LEU N N 15 3.805 0.077 . . . . 208 Leu N 18758 1 8 . 1 1 9 9 THR N N 15 4.121 0.057 . . . . 209 Thr N 18758 1 9 . 1 1 10 10 ASP N N 15 6.38 0.061 . . . . 210 Asp N 18758 1 10 . 1 1 11 11 SER N N 15 5.836 0.073 . . . . 211 Ser N 18758 1 11 . 1 1 12 12 ASN N N 15 6.315 0.199 . . . . 212 Asn N 18758 1 12 . 1 1 13 13 GLY N N 15 4.692 0.2 . . . . 213 Gly N 18758 1 13 . 1 1 14 14 GLU N N 15 5.227 0.027 . . . . 214 Glu N 18758 1 14 . 1 1 15 15 GLN N N 15 20.504 1.663 . . . . 215 Gln N 18758 1 15 . 1 1 17 17 LEU N N 15 9.64 0.128 . . . . 217 Leu N 18758 1 16 . 1 1 18 18 SER N N 15 10.829 0.074 . . . . 218 Ser N 18758 1 17 . 1 1 19 19 ALA N N 15 10.798 0.067 . . . . 219 Ala N 18758 1 18 . 1 1 20 20 MET N N 15 10.76 0.053 . . . . 220 Met N 18758 1 19 . 1 1 21 21 VAL N N 15 9.63 0.069 . . . . 221 Val N 18758 1 20 . 1 1 22 22 SER N N 15 12.359 0.266 . . . . 222 Ser N 18758 1 21 . 1 1 23 23 MET N N 15 12.61 0.076 . . . . 223 Met N 18758 1 22 . 1 1 24 24 VAL N N 15 12.342 0.104 . . . . 224 Val N 18758 1 23 . 1 1 25 25 THR N N 15 11.581 0.1 . . . . 225 Thr N 18758 1 24 . 1 1 26 26 LYS N N 15 7.098 0.107 . . . . 226 Lys N 18758 1 25 . 1 1 27 27 ASP N N 15 8.858 0.123 . . . . 227 Asp N 18758 1 26 . 1 1 28 28 ASN N N 15 9.863 0.074 . . . . 228 Asn N 18758 1 27 . 1 1 30 30 GLY N N 15 11.795 0.122 . . . . 230 Gly N 18758 1 28 . 1 1 31 31 VAL N N 15 12.288 0.373 . . . . 231 Val N 18758 1 29 . 1 1 32 32 VAL N N 15 11.126 0.08 . . . . 232 Val N 18758 1 30 . 1 1 33 33 THR N N 15 12.114 0.088 . . . . 233 Thr N 18758 1 31 . 1 1 34 34 CYS N N 15 10.571 0.151 . . . . 234 Cys N 18758 1 32 . 1 1 35 35 LEU N N 15 10.775 0.161 . . . . 235 Leu N 18758 1 33 . 1 1 36 36 ASP N N 15 12.331 0.049 . . . . 236 Asp N 18758 1 34 . 1 1 37 37 GLU N N 15 20.398 0.253 . . . . 237 Glu N 18758 1 35 . 1 1 38 38 ALA N N 15 11.58 0.158 . . . . 238 Ala N 18758 1 36 . 1 1 39 39 ARG N N 15 11.332 0.09 . . . . 239 Arg N 18758 1 37 . 1 1 40 40 HIS N N 15 13.118 0.139 . . . . 240 His N 18758 1 38 . 1 1 41 41 GLY N N 15 12.97 0.085 . . . . 241 Gly N 18758 1 39 . 1 1 43 43 GLU N N 15 12.279 0.193 . . . . 243 Glu N 18758 1 40 . 1 1 44 44 THR N N 15 10.976 0.086 . . . . 244 Thr N 18758 1 41 . 1 1 45 45 GLY N N 15 12.948 0.042 . . . . 245 Gly N 18758 1 42 . 1 1 46 46 ASP N N 15 7.839 0.344 . . . . 246 Asp N 18758 1 43 . 1 1 48 48 VAL N N 15 10.974 0.136 . . . . 248 Val N 18758 1 44 . 1 1 49 49 SER N N 15 10.435 0.24 . . . . 249 Ser N 18758 1 45 . 1 1 50 50 PHE N N 15 11.242 0.074 . . . . 250 Phe N 18758 1 46 . 1 1 51 51 SER N N 15 10.111 0.081 . . . . 251 Ser N 18758 1 47 . 1 1 52 52 GLU N N 15 9.668 0.08 . . . . 252 Glu N 18758 1 48 . 1 1 53 53 VAL N N 15 11.723 0.04 . . . . 253 Val N 18758 1 49 . 1 1 54 54 GLN N N 15 3.701 0.067 . . . . 254 Gln N 18758 1 50 . 1 1 55 55 GLY N N 15 11.104 0.153 . . . . 255 Gly N 18758 1 51 . 1 1 56 56 MET N N 15 10.416 0.192 . . . . 256 Met N 18758 1 52 . 1 1 57 57 ILE N N 15 11.472 0.045 . . . . 257 Ile N 18758 1 53 . 1 1 58 58 GLN N N 15 10.786 0.142 . . . . 258 Gln N 18758 1 54 . 1 1 59 59 LEU N N 15 11.346 0.07 . . . . 259 Leu N 18758 1 55 . 1 1 60 60 ASN N N 15 11.656 0.122 . . . . 260 Asn N 18758 1 56 . 1 1 61 61 GLY N N 15 10.598 0.189 . . . . 261 Gly N 18758 1 57 . 1 1 62 62 CYS N N 15 10.74 0.105 . . . . 262 Cys N 18758 1 58 . 1 1 63 63 GLN N N 15 11.071 0.104 . . . . 263 Gln N 18758 1 59 . 1 1 65 65 MET N N 15 11.269 0.135 . . . . 265 Met N 18758 1 60 . 1 1 66 66 GLU N N 15 10.01 0.179 . . . . 266 Glu N 18758 1 61 . 1 1 67 67 ILE N N 15 11.766 0.117 . . . . 267 Ile N 18758 1 62 . 1 1 68 68 LYS N N 15 12.559 0.145 . . . . 268 Lys N 18758 1 63 . 1 1 69 69 VAL N N 15 11.522 0.069 . . . . 269 Val N 18758 1 64 . 1 1 70 70 LEU N N 15 10.834 0.373 . . . . 270 Leu N 18758 1 65 . 1 1 71 71 GLY N N 15 9.153 0.337 . . . . 271 Gly N 18758 1 66 . 1 1 73 73 TYR N N 15 13.534 1.078 . . . . 273 Tyr N 18758 1 67 . 1 1 74 74 THR N N 15 12.096 0.47 . . . . 274 Thr N 18758 1 68 . 1 1 75 75 PHE N N 15 16.078 0.144 . . . . 275 Phe N 18758 1 69 . 1 1 76 76 SER N N 15 11.994 0.165 . . . . 276 Ser N 18758 1 70 . 1 1 77 77 ILE N N 15 11.579 0.139 . . . . 277 Ile N 18758 1 71 . 1 1 78 78 CYS N N 15 11.521 0.327 . . . . 278 Cys N 18758 1 72 . 1 1 79 79 ASP N N 15 11.931 0.101 . . . . 279 Asp N 18758 1 73 . 1 1 80 80 THR N N 15 11.269 0.131 . . . . 280 Thr N 18758 1 74 . 1 1 81 81 SER N N 15 11.825 0.088 . . . . 281 Ser N 18758 1 75 . 1 1 82 82 ASN N N 15 4.87 0.045 . . . . 282 Asn N 18758 1 76 . 1 1 83 83 PHE N N 15 11.277 0.054 . . . . 283 Phe N 18758 1 77 . 1 1 84 84 SER N N 15 11.551 0.119 . . . . 284 Ser N 18758 1 78 . 1 1 85 85 ASP N N 15 11.109 0.102 . . . . 285 Asp N 18758 1 79 . 1 1 86 86 TYR N N 15 11.053 0.086 . . . . 286 Tyr N 18758 1 80 . 1 1 87 87 ILE N N 15 11.08 0.11 . . . . 287 Ile N 18758 1 81 . 1 1 88 88 ARG N N 15 10.301 0.054 . . . . 288 Arg N 18758 1 82 . 1 1 89 89 GLY N N 15 10.993 0.057 . . . . 289 Gly N 18758 1 83 . 1 1 90 90 GLY N N 15 10.821 0.1 . . . . 290 Gly N 18758 1 84 . 1 1 91 91 ILE N N 15 10.239 0.049 . . . . 291 Ile N 18758 1 85 . 1 1 92 92 VAL N N 15 10.63 0.144 . . . . 292 Val N 18758 1 86 . 1 1 93 93 SER N N 15 11.636 0.129 . . . . 293 Ser N 18758 1 87 . 1 1 94 94 GLN N N 15 8.245 0.108 . . . . 294 Gln N 18758 1 88 . 1 1 95 95 VAL N N 15 9.033 0.095 . . . . 295 Val N 18758 1 89 . 1 1 96 96 LYS N N 15 9.342 0.179 . . . . 296 Lys N 18758 1 90 . 1 1 97 97 VAL N N 15 6.788 0.046 . . . . 297 Val N 18758 1 91 . 1 1 99 99 LYS N N 15 5.408 0.038 . . . . 299 Lys N 18758 1 92 . 1 1 101 101 ILE N N 15 6.229 0.089 . . . . 301 Ile N 18758 1 93 . 1 1 103 103 PHE N N 15 5.51 0.238 . . . . 303 Phe N 18758 1 94 . 1 1 105 105 SER N N 15 5.696 0.127 . . . . 305 Ser N 18758 1 95 . 1 1 106 106 LEU N N 15 3.292 0.035 . . . . 306 Leu N 18758 1 96 . 1 1 108 108 ALA N N 15 3.857 0.05 . . . . 308 Ala N 18758 1 97 . 1 1 109 109 SER N N 15 2.953 0.027 . . . . 309 Ser N 18758 1 98 . 1 1 110 110 LEU N N 15 3.061 0.061 . . . . 310 Leu N 18758 1 99 . 1 1 112 112 GLU N N 15 1.217 0.243 . . . . 312 Glu N 18758 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 18758 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 2 _Order_parameter_list.Sample_condition_list_label $sample_conditions_2 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '2D 1H-15N HSQC' . . . 18758 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 17 17 LEU N N 15 0.762 0.017 . . . . . . . . . . . . . . . . . . . . 217 Leu N 18758 1 2 . 1 1 18 18 SER N N 15 0.82 0.012 . . . . . . . . . . . . . . . . . . . . 218 Ser N 18758 1 3 . 1 1 19 19 ALA N N 15 0.882 0.011 . . . . . . . . . . . . . . . . . . . . 219 Ala N 18758 1 4 . 1 1 20 20 MET N N 15 0.838 0.009 . . . . . . . . . . . . . . . . . . . . 220 Met N 18758 1 5 . 1 1 21 21 VAL N N 15 0.861 0.01 . . . . . . . . . . . . . . . . . . . . 221 Val N 18758 1 6 . 1 1 22 22 SER N N 15 0.993 0.014 . . . . . . . . . . . . . . . . . . . . 222 Ser N 18758 1 7 . 1 1 23 23 MET N N 15 0.993 0.007 . . . . . . . . . . . . . . . . . . . . 223 Met N 18758 1 8 . 1 1 24 24 VAL N N 15 0.943 0.01 . . . . . . . . . . . . . . . . . . . . 224 Val N 18758 1 9 . 1 1 25 25 THR N N 15 0.871 0.011 . . . . . . . . . . . . . . . . . . . . 225 Thr N 18758 1 10 . 1 1 26 26 LYS N N 15 0.067 0.037 . . . . . . . . . . . . . . . . . . . . 226 Lys N 18758 1 11 . 1 1 27 27 ASP N N 15 0.709 0.023 . . . . . . . . . . . . . . . . . . . . 227 Asp N 18758 1 12 . 1 1 28 28 ASN N N 15 0.856 0.006 . . . . . . . . . . . . . . . . . . . . 228 Asn N 18758 1 13 . 1 1 30 30 GLY N N 15 0.973 0.008 . . . . . . . . . . . . . . . . . . . . 230 Gly N 18758 1 14 . 1 1 31 31 VAL N N 15 0.854 0.011 . . . . . . . . . . . . . . . . . . . . 231 Val N 18758 1 15 . 1 1 32 32 VAL N N 15 0.802 0.016 . . . . . . . . . . . . . . . . . . . . 232 Val N 18758 1 16 . 1 1 33 33 THR N N 15 0.967 0.013 . . . . . . . . . . . . . . . . . . . . 233 Thr N 18758 1 17 . 1 1 34 34 CYS N N 15 0.917 0.02 . . . . . . . . . . . . . . . . . . . . 234 Cys N 18758 1 18 . 1 1 35 35 LEU N N 15 0.841 0.01 . . . . . . . . . . . . . . . . . . . . 235 Leu N 18758 1 19 . 1 1 36 36 ASP N N 15 0.788 0.018 . . . . . . . . . . . . . . . . . . . . 236 Asp N 18758 1 20 . 1 1 37 37 GLU N N 15 0.887 0.029 . . . . . . . . . . . . . . . . . . . . 237 Glu N 18758 1 21 . 1 1 38 38 ALA N N 15 0.899 0.009 . . . . . . . . . . . . . . . . . . . . 238 Ala N 18758 1 22 . 1 1 39 39 ARG N N 15 0.856 0.015 . . . . . . . . . . . . . . . . . . . . 239 Arg N 18758 1 23 . 1 1 40 40 HIS N N 15 0.91 0.028 . . . . . . . . . . . . . . . . . . . . 240 His N 18758 1 24 . 1 1 41 41 GLY N N 15 0.89 0.025 . . . . . . . . . . . . . . . . . . . . 241 Gly N 18758 1 25 . 1 1 43 43 GLU N N 15 0.873 0.015 . . . . . . . . . . . . . . . . . . . . 243 Glu N 18758 1 26 . 1 1 44 44 THR N N 15 0.957 0.008 . . . . . . . . . . . . . . . . . . . . 244 Thr N 18758 1 27 . 1 1 45 45 GLY N N 15 0.988 0.006 . . . . . . . . . . . . . . . . . . . . 245 Gly N 18758 1 28 . 1 1 46 46 ASP N N 15 0.126 0.006 . . . . . . . . . . . . . . . . . . . . 246 Asp N 18758 1 29 . 1 1 48 48 VAL N N 15 0.88 0.012 . . . . . . . . . . . . . . . . . . . . 248 Val N 18758 1 30 . 1 1 49 49 SER N N 15 0.916 0.012 . . . . . . . . . . . . . . . . . . . . 249 Ser N 18758 1 31 . 1 1 50 50 PHE N N 15 0.895 0.011 . . . . . . . . . . . . . . . . . . . . 250 Phe N 18758 1 32 . 1 1 51 51 SER N N 15 0.916 0.007 . . . . . . . . . . . . . . . . . . . . 251 Ser N 18758 1 33 . 1 1 53 53 VAL N N 15 0.967 0.005 . . . . . . . . . . . . . . . . . . . . 253 Val N 18758 1 34 . 1 1 54 54 GLN N N 15 0.011 0.01 . . . . . . . . . . . . . . . . . . . . 254 Gln N 18758 1 35 . 1 1 55 55 GLY N N 15 1 0 . . . . . . . . . . . . . . . . . . . . 255 Gly N 18758 1 36 . 1 1 56 56 MET N N 15 0.901 0.013 . . . . . . . . . . . . . . . . . . . . 256 Met N 18758 1 37 . 1 1 57 57 ILE N N 15 0.916 0.005 . . . . . . . . . . . . . . . . . . . . 257 Ile N 18758 1 38 . 1 1 58 58 GLN N N 15 0.844 0.014 . . . . . . . . . . . . . . . . . . . . 258 Gln N 18758 1 39 . 1 1 59 59 LEU N N 15 0.904 0.006 . . . . . . . . . . . . . . . . . . . . 259 Leu N 18758 1 40 . 1 1 60 60 ASN N N 15 0.9 0.012 . . . . . . . . . . . . . . . . . . . . 260 Asn N 18758 1 41 . 1 1 61 61 GLY N N 15 0.828 0.02 . . . . . . . . . . . . . . . . . . . . 261 Gly N 18758 1 42 . 1 1 62 62 CYS N N 15 0.925 0.008 . . . . . . . . . . . . . . . . . . . . 262 Cys N 18758 1 43 . 1 1 63 63 GLN N N 15 0.933 0.011 . . . . . . . . . . . . . . . . . . . . 263 Gln N 18758 1 44 . 1 1 65 65 MET N N 15 0.904 0.014 . . . . . . . . . . . . . . . . . . . . 265 Met N 18758 1 45 . 1 1 66 66 GLU N N 15 0.867 0.009 . . . . . . . . . . . . . . . . . . . . 266 Glu N 18758 1 46 . 1 1 67 67 ILE N N 15 0.825 0.009 . . . . . . . . . . . . . . . . . . . . 267 Ile N 18758 1 47 . 1 1 68 68 LYS N N 15 0.944 0.01 . . . . . . . . . . . . . . . . . . . . 268 Lys N 18758 1 48 . 1 1 69 69 VAL N N 15 0.842 0.009 . . . . . . . . . . . . . . . . . . . . 269 Val N 18758 1 49 . 1 1 70 70 LEU N N 15 0.9 0.04 . . . . . . . . . . . . . . . . . . . . 270 Leu N 18758 1 50 . 1 1 71 71 GLY N N 15 0.835 0.011 . . . . . . . . . . . . . . . . . . . . 271 Gly N 18758 1 51 . 1 1 73 73 TYR N N 15 0.996 0.011 . . . . . . . . . . . . . . . . . . . . 273 Tyr N 18758 1 52 . 1 1 74 74 THR N N 15 0.836 0.031 . . . . . . . . . . . . . . . . . . . . 274 Thr N 18758 1 53 . 1 1 75 75 PHE N N 15 1 0 . . . . . . . . . . . . . . . . . . . . 275 Phe N 18758 1 54 . 1 1 76 76 SER N N 15 0.845 0.027 . . . . . . . . . . . . . . . . . . . . 276 Ser N 18758 1 55 . 1 1 77 77 ILE N N 15 0.878 0.014 . . . . . . . . . . . . . . . . . . . . 277 Ile N 18758 1 56 . 1 1 78 78 CYS N N 15 0.919 0.02 . . . . . . . . . . . . . . . . . . . . 278 Cys N 18758 1 57 . 1 1 79 79 ASP N N 15 1 0 . . . . . . . . . . . . . . . . . . . . 279 Asp N 18758 1 58 . 1 1 80 80 THR N N 15 0.963 0.038 . . . . . . . . . . . . . . . . . . . . 280 Thr N 18758 1 59 . 1 1 81 81 SER N N 15 1 0 . . . . . . . . . . . . . . . . . . . . 281 Ser N 18758 1 60 . 1 1 82 82 ASN N N 15 0.003 0.005 . . . . . . . . . . . . . . . . . . . . 282 Asn N 18758 1 61 . 1 1 83 83 PHE N N 15 0.926 0.009 . . . . . . . . . . . . . . . . . . . . 283 Phe N 18758 1 62 . 1 1 84 84 SER N N 15 0.847 0.013 . . . . . . . . . . . . . . . . . . . . 284 Ser N 18758 1 63 . 1 1 85 85 ASP N N 15 0.813 0.01 . . . . . . . . . . . . . . . . . . . . 285 Asp N 18758 1 64 . 1 1 86 86 TYR N N 15 0.911 0.01 . . . . . . . . . . . . . . . . . . . . 286 Tyr N 18758 1 65 . 1 1 87 87 ILE N N 15 0.905 0.011 . . . . . . . . . . . . . . . . . . . . 287 Ile N 18758 1 66 . 1 1 88 88 ARG N N 15 0.893 0.005 . . . . . . . . . . . . . . . . . . . . 288 Arg N 18758 1 67 . 1 1 89 89 GLY N N 15 0.915 0.008 . . . . . . . . . . . . . . . . . . . . 289 Gly N 18758 1 68 . 1 1 90 90 GLY N N 15 0.868 0.01 . . . . . . . . . . . . . . . . . . . . 290 Gly N 18758 1 69 . 1 1 91 91 ILE N N 15 0.911 0.008 . . . . . . . . . . . . . . . . . . . . 291 Ile N 18758 1 70 . 1 1 92 92 VAL N N 15 0.913 0.012 . . . . . . . . . . . . . . . . . . . . 292 Val N 18758 1 71 . 1 1 93 93 SER N N 15 0.942 0.011 . . . . . . . . . . . . . . . . . . . . 293 Ser N 18758 1 stop_ save_