data_7053 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7053 _Entry.Title ; 1H, 13C and 15N resonance assigned of a first cysteine catalytic half-domain of mouse ubiquitin-activating enzyme E1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-04 _Entry.Accession_date 2006-04-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Comprise residues 202 to 312 of the full length ubiquitin E1 sequence (SWISSPROT Q02053)' _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 Igor Zhukov . . . 7053 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7053 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 437 7053 '15N chemical shifts' 108 7053 '1H chemical shifts' 675 7053 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 . . 2007-02-08 2006-04-04 update BMRB 'complete entry citation' 7053 1 . . 2006-06-28 2006-04-04 original author 'original release' 7053 stop_ save_ ############### # Citations # ############### save_E1_fcch _Citation.Sf_category citations _Citation.Sf_framecode E1_fcch _Citation.Entry_ID 7053 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16738783 _Citation.Full_citation . _Citation.Title ; NMR assignment of a structurally uncharacterised fragment of recombinant mouse ubiquitin-activating enzyme ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 43 _Citation.Page_last 43 _Citation.Year 2006 _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 Lukasz Jaremko . . . 7053 1 2 Mariusz Jaremko . . . 7053 1 3 Renata Filipek . . . 7053 1 4 Marek Wojciechowski . . . 7053 1 5 Roman Szczepanowski . H. . 7053 1 6 Matthias Bochtler . . . 7053 1 7 Igor Zhukov . . . 7053 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'E1 protein' 7053 1 NMR 7053 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7053 _Assembly.ID 1 _Assembly.Name 'cysteine catalytic half-domain of mouse E1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7053 1 stop_ 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 'mouse E1 protein' 1 $mouse_E1 . . yes native no no . . . 7053 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID . IUPAC 7053 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mouse_E1 _Entity.Sf_category entity _Entity.Sf_framecode mouse_E1 _Entity.Entry_ID 7053 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'first cysteine catalytic half-domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FGEEMVLTDSNGEQPLSAMV SMVTKDNPGVVTCLDEARHG FETGDFVSFSEVQGMIQLNG CQPMEIKVLGPYTFSICDTS NFSDYIRGGIVSQVKVPKKI SFKSLPASLVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '202, F' _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 18758 . entity . . . . . 100.00 112 100.00 100.00 2.87e-74 . . . . 7053 1 2 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 2.87e-74 . . . . 7053 1 3 no PDB 2V31 . "Structure Of First Catalytic Cysteine Half-domain Of Mouse Ubiquitin-activating Enzyme" . . . . . 100.00 112 100.00 100.00 2.87e-74 . . . . 7053 1 4 no DBJ BAA01433 . "ubiquitin activating enzyme E1 [Mus musculus]" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 5 no DBJ BAC40121 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 6 no DBJ BAC40405 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 7 no DBJ BAE25369 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 8 no DBJ BAE42599 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 9 no GB AAH58630 . "Uba1 protein [Mus musculus]" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 10 no GB AAH85791 . "Ubiquitin-like modifier activating enzyme 1 [Rattus norvegicus]" . . . . . 100.00 1058 97.30 99.10 1.36e-66 . . . . 7053 1 11 no GB AAI38201 . "Ubiquitin-like modifier activating enzyme 1 [Mus musculus]" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 12 no GB AAI45985 . "Ubiquitin-like modifier activating enzyme 1 [Mus musculus]" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 13 no GB EDL00743 . "ubiquitin-activating enzyme E1, Chr X [Mus musculus]" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 14 no REF NP_001014102 . "ubiquitin-like modifier-activating enzyme 1 [Rattus norvegicus]" . . . . . 100.00 1058 97.30 99.10 1.36e-66 . . . . 7053 1 15 no REF NP_001129557 . "ubiquitin-like modifier-activating enzyme 1 isoform 2 [Mus musculus]" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 16 no REF NP_001263245 . "ubiquitin-like modifier-activating enzyme 1 isoform 2 [Mus musculus]" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 17 no REF NP_001263246 . "ubiquitin-like modifier-activating enzyme 1 isoform 2 [Mus musculus]" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 18 no REF NP_033483 . "ubiquitin-like modifier-activating enzyme 1 isoform 1 [Mus musculus]" . . . . . 100.00 1118 100.00 100.00 1.09e-67 . . . . 7053 1 19 no SP Q02053 . "RecName: Full=Ubiquitin-like modifier-activating enzyme 1; AltName: Full=Ubiquitin-activating enzyme E1; AltName: Full=Ubiquiti" . . . . . 100.00 1058 100.00 100.00 6.05e-68 . . . . 7053 1 20 no SP Q5U300 . "RecName: Full=Ubiquitin-like modifier-activating enzyme 1; AltName: Full=Ubiquitin-activating enzyme E1 [Rattus norvegicus]" . . . . . 100.00 1058 97.30 99.10 1.36e-66 . . . . 7053 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 1 202 PHE . 7053 1 2 203 GLY . 7053 1 3 204 GLU . 7053 1 4 205 GLU . 7053 1 5 206 MET . 7053 1 6 207 VAL . 7053 1 7 208 LEU . 7053 1 8 209 THR . 7053 1 9 210 ASP . 7053 1 10 211 SER . 7053 1 11 212 ASN . 7053 1 12 213 GLY . 7053 1 13 214 GLU . 7053 1 14 215 GLN . 7053 1 15 216 PRO . 7053 1 16 217 LEU . 7053 1 17 218 SER . 7053 1 18 219 ALA . 7053 1 19 220 MET . 7053 1 20 221 VAL . 7053 1 21 222 SER . 7053 1 22 223 MET . 7053 1 23 224 VAL . 7053 1 24 225 THR . 7053 1 25 226 LYS . 7053 1 26 227 ASP . 7053 1 27 228 ASN . 7053 1 28 229 PRO . 7053 1 29 230 GLY . 7053 1 30 231 VAL . 7053 1 31 232 VAL . 7053 1 32 233 THR . 7053 1 33 234 CYS . 7053 1 34 235 LEU . 7053 1 35 236 ASP . 7053 1 36 237 GLU . 7053 1 37 238 ALA . 7053 1 38 239 ARG . 7053 1 39 240 HIS . 7053 1 40 241 GLY . 7053 1 41 242 PHE . 7053 1 42 243 GLU . 7053 1 43 244 THR . 7053 1 44 245 GLY . 7053 1 45 246 ASP . 7053 1 46 247 PHE . 7053 1 47 248 VAL . 7053 1 48 249 SER . 7053 1 49 250 PHE . 7053 1 50 251 SER . 7053 1 51 252 GLU . 7053 1 52 253 VAL . 7053 1 53 254 GLN . 7053 1 54 255 GLY . 7053 1 55 256 MET . 7053 1 56 257 ILE . 7053 1 57 258 GLN . 7053 1 58 259 LEU . 7053 1 59 260 ASN . 7053 1 60 261 GLY . 7053 1 61 262 CYS . 7053 1 62 263 GLN . 7053 1 63 264 PRO . 7053 1 64 265 MET . 7053 1 65 266 GLU . 7053 1 66 267 ILE . 7053 1 67 268 LYS . 7053 1 68 269 VAL . 7053 1 69 270 LEU . 7053 1 70 271 GLY . 7053 1 71 272 PRO . 7053 1 72 273 TYR . 7053 1 73 274 THR . 7053 1 74 275 PHE . 7053 1 75 276 SER . 7053 1 76 277 ILE . 7053 1 77 278 CYS . 7053 1 78 279 ASP . 7053 1 79 280 THR . 7053 1 80 281 SER . 7053 1 81 282 ASN . 7053 1 82 283 PHE . 7053 1 83 284 SER . 7053 1 84 285 ASP . 7053 1 85 286 TYR . 7053 1 86 287 ILE . 7053 1 87 288 ARG . 7053 1 88 289 GLY . 7053 1 89 290 GLY . 7053 1 90 291 ILE . 7053 1 91 292 VAL . 7053 1 92 293 SER . 7053 1 93 294 GLN . 7053 1 94 295 VAL . 7053 1 95 296 LYS . 7053 1 96 297 VAL . 7053 1 97 298 PRO . 7053 1 98 299 LYS . 7053 1 99 300 LYS . 7053 1 100 301 ILE . 7053 1 101 302 SER . 7053 1 102 303 PHE . 7053 1 103 304 LYS . 7053 1 104 305 SER . 7053 1 105 306 LEU . 7053 1 106 307 PRO . 7053 1 107 308 ALA . 7053 1 108 309 SER . 7053 1 109 310 LEU . 7053 1 110 311 VAL . 7053 1 111 312 GLU . 7053 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 . PHE 1 1 7053 1 . GLY 2 2 7053 1 . GLU 3 3 7053 1 . GLU 4 4 7053 1 . MET 5 5 7053 1 . VAL 6 6 7053 1 . LEU 7 7 7053 1 . THR 8 8 7053 1 . ASP 9 9 7053 1 . SER 10 10 7053 1 . ASN 11 11 7053 1 . GLY 12 12 7053 1 . GLU 13 13 7053 1 . GLN 14 14 7053 1 . PRO 15 15 7053 1 . LEU 16 16 7053 1 . SER 17 17 7053 1 . ALA 18 18 7053 1 . MET 19 19 7053 1 . VAL 20 20 7053 1 . SER 21 21 7053 1 . MET 22 22 7053 1 . VAL 23 23 7053 1 . THR 24 24 7053 1 . LYS 25 25 7053 1 . ASP 26 26 7053 1 . ASN 27 27 7053 1 . PRO 28 28 7053 1 . GLY 29 29 7053 1 . VAL 30 30 7053 1 . VAL 31 31 7053 1 . THR 32 32 7053 1 . CYS 33 33 7053 1 . LEU 34 34 7053 1 . ASP 35 35 7053 1 . GLU 36 36 7053 1 . ALA 37 37 7053 1 . ARG 38 38 7053 1 . HIS 39 39 7053 1 . GLY 40 40 7053 1 . PHE 41 41 7053 1 . GLU 42 42 7053 1 . THR 43 43 7053 1 . GLY 44 44 7053 1 . ASP 45 45 7053 1 . PHE 46 46 7053 1 . VAL 47 47 7053 1 . SER 48 48 7053 1 . PHE 49 49 7053 1 . SER 50 50 7053 1 . GLU 51 51 7053 1 . VAL 52 52 7053 1 . GLN 53 53 7053 1 . GLY 54 54 7053 1 . MET 55 55 7053 1 . ILE 56 56 7053 1 . GLN 57 57 7053 1 . LEU 58 58 7053 1 . ASN 59 59 7053 1 . GLY 60 60 7053 1 . CYS 61 61 7053 1 . GLN 62 62 7053 1 . PRO 63 63 7053 1 . MET 64 64 7053 1 . GLU 65 65 7053 1 . ILE 66 66 7053 1 . LYS 67 67 7053 1 . VAL 68 68 7053 1 . LEU 69 69 7053 1 . GLY 70 70 7053 1 . PRO 71 71 7053 1 . TYR 72 72 7053 1 . THR 73 73 7053 1 . PHE 74 74 7053 1 . SER 75 75 7053 1 . ILE 76 76 7053 1 . CYS 77 77 7053 1 . ASP 78 78 7053 1 . THR 79 79 7053 1 . SER 80 80 7053 1 . ASN 81 81 7053 1 . PHE 82 82 7053 1 . SER 83 83 7053 1 . ASP 84 84 7053 1 . TYR 85 85 7053 1 . ILE 86 86 7053 1 . ARG 87 87 7053 1 . GLY 88 88 7053 1 . GLY 89 89 7053 1 . ILE 90 90 7053 1 . VAL 91 91 7053 1 . SER 92 92 7053 1 . GLN 93 93 7053 1 . VAL 94 94 7053 1 . LYS 95 95 7053 1 . VAL 96 96 7053 1 . PRO 97 97 7053 1 . LYS 98 98 7053 1 . LYS 99 99 7053 1 . ILE 100 100 7053 1 . SER 101 101 7053 1 . PHE 102 102 7053 1 . LYS 103 103 7053 1 . SER 104 104 7053 1 . LEU 105 105 7053 1 . PRO 106 106 7053 1 . ALA 107 107 7053 1 . SER 108 108 7053 1 . LEU 109 109 7053 1 . VAL 110 110 7053 1 . GLU 111 111 7053 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 7053 _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 $mouse_E1 . 10090 . no . Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 7053 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 7053 _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 $mouse_E1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7053 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7053 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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' . . . 1 $mouse_E1 . protein 1.0 . . . . . . . 7053 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7053 _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 pH 6.5 0.1 pH 7053 1 temperature 303 . K 7053 1 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 7053 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity+ _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7053 _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 '1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7053 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7053 1 3 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7053 1 4 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7053 1 5 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7053 1 6 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7053 1 7 HBHA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7053 1 8 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7053 1 9 C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7053 1 10 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7053 1 11 'NOESY-HSQC 15N-edited' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7053 1 12 'NOESY-HSQC 13C-edited' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7053 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7053 _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 0.0 . indirect 0.251449530 . . . 1 $E1_fcch . . 1 $E1_fcch 7053 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $E1_fcch . . 1 $E1_fcch 7053 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $E1_fcch . . 1 $E1_fcch 7053 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7053 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '1H-15N HSQC' 1 $sample_1 isotropic 7053 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PHE H H 1 8.29 0.02 . 1 . . . . 202 PHE HN . 7053 1 2 . 1 1 1 1 PHE HA H 1 4.61 0.02 . 1 . . . . 202 PHE HA . 7053 1 3 . 1 1 1 1 PHE HB2 H 1 3.17 0.02 . 2 . . . . 202 PHE HB1 . 7053 1 4 . 1 1 1 1 PHE HB3 H 1 2.98 0.02 . 2 . . . . 202 PHE HB2 . 7053 1 5 . 1 1 1 1 PHE C C 13 176.2 0.2 . 1 . . . . 202 PHE C . 7053 1 6 . 1 1 1 1 PHE CA C 13 57.8 0.2 . 1 . . . . 202 PHE CA . 7053 1 7 . 1 1 1 1 PHE CB C 13 39.5 0.2 . 1 . . . . 202 PHE CB . 7053 1 8 . 1 1 1 1 PHE N N 15 120.5 0.2 . 1 . . . . 202 PHE N . 7053 1 9 . 1 1 2 2 GLY H H 1 8.26 0.02 . 1 . . . . 203 GLY HN . 7053 1 10 . 1 1 2 2 GLY HA2 H 1 3.89 0.02 . 1 . . . . 203 GLY HA1 . 7053 1 11 . 1 1 2 2 GLY HA3 H 1 3.89 0.02 . 1 . . . . 203 GLY HA2 . 7053 1 12 . 1 1 2 2 GLY C C 13 174.3 0.2 . 1 . . . . 203 GLY C . 7053 1 13 . 1 1 2 2 GLY CA C 13 45.4 0.2 . 1 . . . . 203 GLY CA . 7053 1 14 . 1 1 2 2 GLY N N 15 110.4 0.2 . 1 . . . . 203 GLY N . 7053 1 15 . 1 1 3 3 GLU H H 1 8.39 0.02 . 1 . . . . 204 GLU HN . 7053 1 16 . 1 1 3 3 GLU HA H 1 4.28 0.02 . 1 . . . . 204 GLU HA . 7053 1 17 . 1 1 3 3 GLU HB2 H 1 2.04 0.02 . 2 . . . . 204 GLU HB1 . 7053 1 18 . 1 1 3 3 GLU HB3 H 1 1.89 0.02 . 2 . . . . 204 GLU HB2 . 7053 1 19 . 1 1 3 3 GLU C C 13 176.5 0.2 . 1 . . . . 204 GLU C . 7053 1 20 . 1 1 3 3 GLU CA C 13 56.6 0.2 . 1 . . . . 204 GLU CA . 7053 1 21 . 1 1 3 3 GLU CB C 13 30.5 0.2 . 1 . . . . 204 GLU CB . 7053 1 22 . 1 1 3 3 GLU CG C 13 36.3 0.2 . 1 . . . . 204 GLU CG . 7053 1 23 . 1 1 3 3 GLU N N 15 120.5 0.2 . 1 . . . . 204 GLU N . 7053 1 24 . 1 1 4 4 GLU H H 1 8.51 0.02 . 1 . . . . 205 GLU HN . 7053 1 25 . 1 1 4 4 GLU HA H 1 4.23 0.02 . 1 . . . . 205 GLU HA . 7053 1 26 . 1 1 4 4 GLU HB2 H 1 2.00 0.02 . 2 . . . . 205 GLU HB1 . 7053 1 27 . 1 1 4 4 GLU HB3 H 1 1.90 0.02 . 2 . . . . 205 GLU HB2 . 7053 1 28 . 1 1 4 4 GLU C C 13 176.3 0.2 . 1 . . . . 205 GLU C . 7053 1 29 . 1 1 4 4 GLU CA C 13 56.7 0.2 . 1 . . . . 205 GLU CA . 7053 1 30 . 1 1 4 4 GLU CB C 13 30.2 0.2 . 1 . . . . 205 GLU CB . 7053 1 31 . 1 1 4 4 GLU CG C 13 36.3 0.2 . 1 . . . . 205 GLU CG . 7053 1 32 . 1 1 4 4 GLU N N 15 121.4 0.2 . 1 . . . . 205 GLU N . 7053 1 33 . 1 1 5 5 MET H H 1 8.28 0.02 . 1 . . . . 206 MET HN . 7053 1 34 . 1 1 5 5 MET HA H 1 4.43 0.02 . 1 . . . . 206 MET HA . 7053 1 35 . 1 1 5 5 MET HB2 H 1 1.95 0.02 . 1 . . . . 206 MET HB1 . 7053 1 36 . 1 1 5 5 MET HB3 H 1 1.95 0.02 . 1 . . . . 206 MET HB2 . 7053 1 37 . 1 1 5 5 MET C C 13 175.7 0.2 . 1 . . . . 206 MET C . 7053 1 38 . 1 1 5 5 MET CA C 13 55.6 0.2 . 1 . . . . 206 MET CA . 7053 1 39 . 1 1 5 5 MET CB C 13 33.0 0.2 . 1 . . . . 206 MET CB . 7053 1 40 . 1 1 5 5 MET CG C 13 32.1 0.2 . 1 . . . . 206 MET CG . 7053 1 41 . 1 1 5 5 MET N N 15 121.6 0.2 . 1 . . . . 206 MET N . 7053 1 42 . 1 1 6 6 VAL H H 1 8.13 0.02 . 1 . . . . 207 VAL HN . 7053 1 43 . 1 1 6 6 VAL HA H 1 4.09 0.02 . 1 . . . . 207 VAL HA . 7053 1 44 . 1 1 6 6 VAL HB H 1 2.01 0.02 . 1 . . . . 207 VAL HB . 7053 1 45 . 1 1 6 6 VAL HG11 H 1 0.88 0.02 . 2 . . . . 207 VAL HG1 . 7053 1 46 . 1 1 6 6 VAL HG12 H 1 0.88 0.02 . 2 . . . . 207 VAL HG1 . 7053 1 47 . 1 1 6 6 VAL HG13 H 1 0.88 0.02 . 2 . . . . 207 VAL HG1 . 7053 1 48 . 1 1 6 6 VAL HG21 H 1 0.90 0.02 . 2 . . . . 207 VAL HG2 . 7053 1 49 . 1 1 6 6 VAL HG22 H 1 0.90 0.02 . 2 . . . . 207 VAL HG2 . 7053 1 50 . 1 1 6 6 VAL HG23 H 1 0.90 0.02 . 2 . . . . 207 VAL HG2 . 7053 1 51 . 1 1 6 6 VAL C C 13 175.9 0.2 . 1 . . . . 207 VAL C . 7053 1 52 . 1 1 6 6 VAL CA C 13 62.3 0.2 . 1 . . . . 207 VAL CA . 7053 1 53 . 1 1 6 6 VAL CB C 13 32.8 0.2 . 1 . . . . 207 VAL CB . 7053 1 54 . 1 1 6 6 VAL CG1 C 13 21.2 0.2 . 1 . . . . 207 VAL CG1 . 7053 1 55 . 1 1 6 6 VAL CG2 C 13 20.6 0.2 . 1 . . . . 207 VAL CG2 . 7053 1 56 . 1 1 6 6 VAL N N 15 122.3 0.2 . 1 . . . . 207 VAL N . 7053 1 57 . 1 1 7 7 LEU H H 1 8.37 0.02 . 1 . . . . 208 LEU HN . 7053 1 58 . 1 1 7 7 LEU HA H 1 4.45 0.02 . 1 . . . . 208 LEU HA . 7053 1 59 . 1 1 7 7 LEU HB2 H 1 1.60 0.02 . 1 . . . . 208 LEU HB1 . 7053 1 60 . 1 1 7 7 LEU HB3 H 1 1.60 0.02 . 1 . . . . 208 LEU HB2 . 7053 1 61 . 1 1 7 7 LEU HD11 H 1 0.91 0.02 . 2 . . . . 208 LEU HD1 . 7053 1 62 . 1 1 7 7 LEU HD12 H 1 0.91 0.02 . 2 . . . . 208 LEU HD1 . 7053 1 63 . 1 1 7 7 LEU HD13 H 1 0.91 0.02 . 2 . . . . 208 LEU HD1 . 7053 1 64 . 1 1 7 7 LEU HD21 H 1 0.85 0.02 . 2 . . . . 208 LEU HD2 . 7053 1 65 . 1 1 7 7 LEU HD22 H 1 0.85 0.02 . 2 . . . . 208 LEU HD2 . 7053 1 66 . 1 1 7 7 LEU HD23 H 1 0.85 0.02 . 2 . . . . 208 LEU HD2 . 7053 1 67 . 1 1 7 7 LEU C C 13 177.3 0.2 . 1 . . . . 208 LEU C . 7053 1 68 . 1 1 7 7 LEU CA C 13 55.0 0.2 . 1 . . . . 208 LEU CA . 7053 1 69 . 1 1 7 7 LEU CB C 13 42.4 0.2 . 1 . . . . 208 LEU CB . 7053 1 70 . 1 1 7 7 LEU CG C 13 27.1 0.2 . 1 . . . . 208 LEU CG . 7053 1 71 . 1 1 7 7 LEU CD1 C 13 25.1 0.2 . 1 . . . . 208 LEU CD1 . 7053 1 72 . 1 1 7 7 LEU CD2 C 13 23.5 0.2 . 1 . . . . 208 LEU CD2 . 7053 1 73 . 1 1 7 7 LEU N N 15 126.5 0.2 . 1 . . . . 208 LEU N . 7053 1 74 . 1 1 8 8 THR H H 1 8.09 0.02 . 1 . . . . 209 THR HN . 7053 1 75 . 1 1 8 8 THR HA H 1 4.35 0.02 . 1 . . . . 209 THR HA . 7053 1 76 . 1 1 8 8 THR HG21 H 1 1.17 0.02 . 1 . . . . 209 THR HG2 . 7053 1 77 . 1 1 8 8 THR HG22 H 1 1.17 0.02 . 1 . . . . 209 THR HG2 . 7053 1 78 . 1 1 8 8 THR HG23 H 1 1.17 0.02 . 1 . . . . 209 THR HG2 . 7053 1 79 . 1 1 8 8 THR C C 13 174.2 0.2 . 1 . . . . 209 THR C . 7053 1 80 . 1 1 8 8 THR CA C 13 61.6 0.2 . 1 . . . . 209 THR CA . 7053 1 81 . 1 1 8 8 THR CB C 13 70.0 0.2 . 1 . . . . 209 THR CB . 7053 1 82 . 1 1 8 8 THR CG2 C 13 21.5 0.2 . 1 . . . . 209 THR CG2 . 7053 1 83 . 1 1 8 8 THR N N 15 114.9 0.2 . 1 . . . . 209 THR N . 7053 1 84 . 1 1 9 9 ASP H H 1 8.33 0.02 . 1 . . . . 210 ASP HN . 7053 1 85 . 1 1 9 9 ASP HA H 1 4.64 0.02 . 1 . . . . 210 ASP HA . 7053 1 86 . 1 1 9 9 ASP HB2 H 1 2.68 0.02 . 1 . . . . 210 ASP HB1 . 7053 1 87 . 1 1 9 9 ASP HB3 H 1 2.68 0.02 . 1 . . . . 210 ASP HB2 . 7053 1 88 . 1 1 9 9 ASP C C 13 176.5 0.2 . 1 . . . . 210 ASP C . 7053 1 89 . 1 1 9 9 ASP CA C 13 54.3 0.2 . 1 . . . . 210 ASP CA . 7053 1 90 . 1 1 9 9 ASP CB C 13 41.4 0.2 . 1 . . . . 210 ASP CB . 7053 1 91 . 1 1 9 9 ASP N N 15 122.6 0.2 . 1 . . . . 210 ASP N . 7053 1 92 . 1 1 10 10 SER H H 1 8.29 0.02 . 1 . . . . 211 SER HN . 7053 1 93 . 1 1 10 10 SER HA H 1 4.43 0.02 . 1 . . . . 211 SER HA . 7053 1 94 . 1 1 10 10 SER HB2 H 1 3.88 0.02 . 1 . . . . 211 SER HB1 . 7053 1 95 . 1 1 10 10 SER HB3 H 1 3.88 0.02 . 1 . . . . 211 SER HB2 . 7053 1 96 . 1 1 10 10 SER C C 13 174.7 0.2 . 1 . . . . 211 SER C . 7053 1 97 . 1 1 10 10 SER CA C 13 58.6 0.2 . 1 . . . . 211 SER CA . 7053 1 98 . 1 1 10 10 SER CB C 13 63.7 0.2 . 1 . . . . 211 SER CB . 7053 1 99 . 1 1 10 10 SER N N 15 116.3 0.2 . 1 . . . . 211 SER N . 7053 1 100 . 1 1 11 11 ASN H H 1 8.51 0.02 . 1 . . . . 212 ASN HN . 7053 1 101 . 1 1 11 11 ASN HA H 1 4.73 0.02 . 1 . . . . 212 ASN HA . 7053 1 102 . 1 1 11 11 ASN HB2 H 1 2.81 0.02 . 1 . . . . 212 ASN HB1 . 7053 1 103 . 1 1 11 11 ASN HB3 H 1 2.81 0.02 . 1 . . . . 212 ASN HB2 . 7053 1 104 . 1 1 11 11 ASN C C 13 175.8 0.2 . 1 . . . . 212 ASN C . 7053 1 105 . 1 1 11 11 ASN CA C 13 53.6 0.2 . 1 . . . . 212 ASN CA . 7053 1 106 . 1 1 11 11 ASN CB C 13 39.0 0.2 . 1 . . . . 212 ASN CB . 7053 1 107 . 1 1 11 11 ASN N N 15 120.7 0.2 . 1 . . . . 212 ASN N . 7053 1 108 . 1 1 12 12 GLY H H 1 8.28 0.02 . 1 . . . . 213 GLY HN . 7053 1 109 . 1 1 12 12 GLY HA2 H 1 3.93 0.02 . 1 . . . . 213 GLY HA1 . 7053 1 110 . 1 1 12 12 GLY HA3 H 1 3.93 0.02 . 1 . . . . 213 GLY HA2 . 7053 1 111 . 1 1 12 12 GLY C C 13 174.1 0.2 . 1 . . . . 213 GLY C . 7053 1 112 . 1 1 12 12 GLY CA C 13 45.4 0.2 . 1 . . . . 213 GLY CA . 7053 1 113 . 1 1 12 12 GLY N N 15 108.9 0.2 . 1 . . . . 213 GLY N . 7053 1 114 . 1 1 13 13 GLU H H 1 8.17 0.02 . 1 . . . . 214 GLU HN . 7053 1 115 . 1 1 13 13 GLU HA H 1 4.27 0.02 . 1 . . . . 214 GLU HA . 7053 1 116 . 1 1 13 13 GLU HB2 H 1 2.00 0.02 . 2 . . . . 214 GLU HB1 . 7053 1 117 . 1 1 13 13 GLU HB3 H 1 1.92 0.02 . 2 . . . . 214 GLU HB2 . 7053 1 118 . 1 1 13 13 GLU C C 13 176.3 0.2 . 1 . . . . 214 GLU C . 7053 1 119 . 1 1 13 13 GLU CA C 13 56.4 0.2 . 1 . . . . 214 GLU CA . 7053 1 120 . 1 1 13 13 GLU CB C 13 30.5 0.2 . 1 . . . . 214 GLU CB . 7053 1 121 . 1 1 13 13 GLU N N 15 120.3 0.2 . 1 . . . . 214 GLU N . 7053 1 122 . 1 1 14 14 GLN H H 1 8.41 0.02 . 1 . . . . 215 GLN HN . 7053 1 123 . 1 1 14 14 GLN HA H 1 4.59 0.02 . 1 . . . . 215 GLN HA . 7053 1 124 . 1 1 14 14 GLN CA C 13 53.6 0.2 . 1 . . . . 215 GLN CA . 7053 1 125 . 1 1 14 14 GLN CB C 13 29.0 0.2 . 1 . . . . 215 GLN CB . 7053 1 126 . 1 1 14 14 GLN N N 15 122.4 0.2 . 1 . . . . 215 GLN N . 7053 1 127 . 1 1 15 15 PRO HA H 1 4.43 0.02 . 1 . . . . 216 PRO HA . 7053 1 128 . 1 1 15 15 PRO HB2 H 1 2.30 0.02 . 2 . . . . 216 PRO HB1 . 7053 1 129 . 1 1 15 15 PRO HB3 H 1 1.97 0.02 . 2 . . . . 216 PRO HB2 . 7053 1 130 . 1 1 15 15 PRO HG2 H 1 2.29 0.02 . 1 . . . . 216 PRO HG1 . 7053 1 131 . 1 1 15 15 PRO HG3 H 1 2.29 0.02 . 1 . . . . 216 PRO HG2 . 7053 1 132 . 1 1 15 15 PRO HD2 H 1 3.80 0.02 . 2 . . . . 216 PRO HD1 . 7053 1 133 . 1 1 15 15 PRO HD3 H 1 3.71 0.02 . 2 . . . . 216 PRO HD2 . 7053 1 134 . 1 1 15 15 PRO C C 13 176.7 0.2 . 1 . . . . 216 PRO C . 7053 1 135 . 1 1 15 15 PRO CA C 13 62.8 0.2 . 1 . . . . 216 PRO CA . 7053 1 136 . 1 1 15 15 PRO CB C 13 32.7 0.2 . 1 . . . . 216 PRO CB . 7053 1 137 . 1 1 15 15 PRO CG C 13 27.5 0.2 . 1 . . . . 216 PRO CG . 7053 1 138 . 1 1 15 15 PRO CD C 13 50.8 0.2 . 1 . . . . 216 PRO CD . 7053 1 139 . 1 1 16 16 LEU H H 1 8.57 0.02 . 1 . . . . 217 LEU HN . 7053 1 140 . 1 1 16 16 LEU HA H 1 4.50 0.02 . 1 . . . . 217 LEU HA . 7053 1 141 . 1 1 16 16 LEU HB2 H 1 1.71 0.02 . 2 . . . . 217 LEU HB1 . 7053 1 142 . 1 1 16 16 LEU HB3 H 1 1.62 0.02 . 2 . . . . 217 LEU HB2 . 7053 1 143 . 1 1 16 16 LEU HG H 1 1.69 0.02 . 1 . . . . 217 LEU HG . 7053 1 144 . 1 1 16 16 LEU HD11 H 1 0.97 0.02 . 2 . . . . 217 LEU HD1 . 7053 1 145 . 1 1 16 16 LEU HD12 H 1 0.97 0.02 . 2 . . . . 217 LEU HD1 . 7053 1 146 . 1 1 16 16 LEU HD13 H 1 0.97 0.02 . 2 . . . . 217 LEU HD1 . 7053 1 147 . 1 1 16 16 LEU HD21 H 1 0.88 0.02 . 2 . . . . 217 LEU HD2 . 7053 1 148 . 1 1 16 16 LEU HD22 H 1 0.88 0.02 . 2 . . . . 217 LEU HD2 . 7053 1 149 . 1 1 16 16 LEU HD23 H 1 0.88 0.02 . 2 . . . . 217 LEU HD2 . 7053 1 150 . 1 1 16 16 LEU C C 13 176.2 0.2 . 1 . . . . 217 LEU C . 7053 1 151 . 1 1 16 16 LEU CA C 13 55.3 0.2 . 1 . . . . 217 LEU CA . 7053 1 152 . 1 1 16 16 LEU CB C 13 43.1 0.2 . 1 . . . . 217 LEU CB . 7053 1 153 . 1 1 16 16 LEU CG C 13 27.1 0.2 . 1 . . . . 217 LEU CG . 7053 1 154 . 1 1 16 16 LEU CD1 C 13 25.3 0.2 . 1 . . . . 217 LEU CD1 . 7053 1 155 . 1 1 16 16 LEU CD2 C 13 23.5 0.2 . 1 . . . . 217 LEU CD2 . 7053 1 156 . 1 1 16 16 LEU N N 15 124.3 0.2 . 1 . . . . 217 LEU N . 7053 1 157 . 1 1 17 17 SER H H 1 8.26 0.02 . 1 . . . . 218 SER HN . 7053 1 158 . 1 1 17 17 SER HA H 1 5.79 0.02 . 1 . . . . 218 SER HA . 7053 1 159 . 1 1 17 17 SER HB2 H 1 3.75 0.02 . 1 . . . . 218 SER HB1 . 7053 1 160 . 1 1 17 17 SER HB3 H 1 3.75 0.02 . 1 . . . . 218 SER HB2 . 7053 1 161 . 1 1 17 17 SER C C 13 172.9 0.2 . 1 . . . . 218 SER C . 7053 1 162 . 1 1 17 17 SER CA C 13 57.2 0.2 . 1 . . . . 218 SER CA . 7053 1 163 . 1 1 17 17 SER CB C 13 67.3 0.2 . 1 . . . . 218 SER CB . 7053 1 164 . 1 1 17 17 SER N N 15 115.3 0.2 . 1 . . . . 218 SER N . 7053 1 165 . 1 1 18 18 ALA H H 1 9.36 0.02 . 1 . . . . 219 ALA HN . 7053 1 166 . 1 1 18 18 ALA HA H 1 4.78 0.02 . 1 . . . . 219 ALA HA . 7053 1 167 . 1 1 18 18 ALA HB1 H 1 1.40 0.02 . 1 . . . . 219 ALA HB . 7053 1 168 . 1 1 18 18 ALA HB2 H 1 1.40 0.02 . 1 . . . . 219 ALA HB . 7053 1 169 . 1 1 18 18 ALA HB3 H 1 1.40 0.02 . 1 . . . . 219 ALA HB . 7053 1 170 . 1 1 18 18 ALA C C 13 175.3 0.2 . 1 . . . . 219 ALA C . 7053 1 171 . 1 1 18 18 ALA CA C 13 51.2 0.2 . 1 . . . . 219 ALA CA . 7053 1 172 . 1 1 18 18 ALA CB C 13 22.9 0.2 . 1 . . . . 219 ALA CB . 7053 1 173 . 1 1 18 18 ALA N N 15 123.4 0.2 . 1 . . . . 219 ALA N . 7053 1 174 . 1 1 19 19 MET H H 1 8.75 0.02 . 1 . . . . 220 MET HN . 7053 1 175 . 1 1 19 19 MET HA H 1 5.08 0.02 . 1 . . . . 220 MET HA . 7053 1 176 . 1 1 19 19 MET HB2 H 1 2.25 0.02 . 2 . . . . 220 MET HB1 . 7053 1 177 . 1 1 19 19 MET HB3 H 1 2.09 0.02 . 2 . . . . 220 MET HB2 . 7053 1 178 . 1 1 19 19 MET HG2 H 1 2.77 0.02 . 2 . . . . 220 MET HG1 . 7053 1 179 . 1 1 19 19 MET HG3 H 1 2.63 0.02 . 2 . . . . 220 MET HG2 . 7053 1 180 . 1 1 19 19 MET HE1 H 1 2.09 0.02 . 1 . . . . 220 MET HE . 7053 1 181 . 1 1 19 19 MET HE2 H 1 2.09 0.02 . 1 . . . . 220 MET HE . 7053 1 182 . 1 1 19 19 MET HE3 H 1 2.09 0.02 . 1 . . . . 220 MET HE . 7053 1 183 . 1 1 19 19 MET C C 13 176.3 0.2 . 1 . . . . 220 MET C . 7053 1 184 . 1 1 19 19 MET CA C 13 54.7 0.2 . 1 . . . . 220 MET CA . 7053 1 185 . 1 1 19 19 MET CB C 13 32.9 0.2 . 1 . . . . 220 MET CB . 7053 1 186 . 1 1 19 19 MET CG C 13 32.7 0.2 . 1 . . . . 220 MET CG . 7053 1 187 . 1 1 19 19 MET N N 15 119.0 0.2 . 1 . . . . 220 MET N . 7053 1 188 . 1 1 20 20 VAL H H 1 8.12 0.02 . 1 . . . . 221 VAL HN . 7053 1 189 . 1 1 20 20 VAL HA H 1 3.92 0.02 . 1 . . . . 221 VAL HA . 7053 1 190 . 1 1 20 20 VAL HB H 1 2.30 0.02 . 1 . . . . 221 VAL HB . 7053 1 191 . 1 1 20 20 VAL HG11 H 1 0.94 0.02 . 2 . . . . 221 VAL HG1 . 7053 1 192 . 1 1 20 20 VAL HG12 H 1 0.94 0.02 . 2 . . . . 221 VAL HG1 . 7053 1 193 . 1 1 20 20 VAL HG13 H 1 0.94 0.02 . 2 . . . . 221 VAL HG1 . 7053 1 194 . 1 1 20 20 VAL HG21 H 1 1.01 0.02 . 2 . . . . 221 VAL HG2 . 7053 1 195 . 1 1 20 20 VAL HG22 H 1 1.01 0.02 . 2 . . . . 221 VAL HG2 . 7053 1 196 . 1 1 20 20 VAL HG23 H 1 1.01 0.02 . 2 . . . . 221 VAL HG2 . 7053 1 197 . 1 1 20 20 VAL C C 13 175.1 0.2 . 1 . . . . 221 VAL C . 7053 1 198 . 1 1 20 20 VAL CA C 13 64.0 0.2 . 1 . . . . 221 VAL CA . 7053 1 199 . 1 1 20 20 VAL CB C 13 33.5 0.2 . 1 . . . . 221 VAL CB . 7053 1 200 . 1 1 20 20 VAL CG1 C 13 23.0 0.2 . 1 . . . . 221 VAL CG1 . 7053 1 201 . 1 1 20 20 VAL CG2 C 13 22.6 0.2 . 1 . . . . 221 VAL CG2 . 7053 1 202 . 1 1 20 20 VAL N N 15 124.3 0.2 . 1 . . . . 221 VAL N . 7053 1 203 . 1 1 21 21 SER H H 1 9.34 0.02 . 1 . . . . 222 SER HN . 7053 1 204 . 1 1 21 21 SER HA H 1 4.72 0.02 . 1 . . . . 222 SER HA . 7053 1 205 . 1 1 21 21 SER HB2 H 1 3.44 0.02 . 2 . . . . 222 SER HB1 . 7053 1 206 . 1 1 21 21 SER HB3 H 1 3.76 0.02 . 2 . . . . 222 SER HB2 . 7053 1 207 . 1 1 21 21 SER C C 13 173.6 0.2 . 1 . . . . 222 SER C . 7053 1 208 . 1 1 21 21 SER CA C 13 58.2 0.2 . 1 . . . . 222 SER CA . 7053 1 209 . 1 1 21 21 SER CB C 13 65.7 0.2 . 1 . . . . 222 SER CB . 7053 1 210 . 1 1 21 21 SER N N 15 119.2 0.2 . 1 . . . . 222 SER N . 7053 1 211 . 1 1 22 22 MET H H 1 7.45 0.02 . 1 . . . . 223 MET HN . 7053 1 212 . 1 1 22 22 MET HA H 1 4.04 0.02 . 1 . . . . 223 MET HA . 7053 1 213 . 1 1 22 22 MET HB2 H 1 2.12 0.02 . 1 . . . . 223 MET HB1 . 7053 1 214 . 1 1 22 22 MET HB3 H 1 2.12 0.02 . 1 . . . . 223 MET HB2 . 7053 1 215 . 1 1 22 22 MET HG2 H 1 1.69 0.02 . 1 . . . . 223 MET HG1 . 7053 1 216 . 1 1 22 22 MET HG3 H 1 1.69 0.02 . 1 . . . . 223 MET HG2 . 7053 1 217 . 1 1 22 22 MET HE1 H 1 2.12 0.02 . 1 . . . . 223 MET HE . 7053 1 218 . 1 1 22 22 MET HE2 H 1 2.12 0.02 . 1 . . . . 223 MET HE . 7053 1 219 . 1 1 22 22 MET HE3 H 1 2.12 0.02 . 1 . . . . 223 MET HE . 7053 1 220 . 1 1 22 22 MET C C 13 173.1 0.2 . 1 . . . . 223 MET C . 7053 1 221 . 1 1 22 22 MET CA C 13 55.1 0.2 . 1 . . . . 223 MET CA . 7053 1 222 . 1 1 22 22 MET CB C 13 32.7 0.2 . 1 . . . . 223 MET CB . 7053 1 223 . 1 1 22 22 MET CG C 13 32.8 0.2 . 1 . . . . 223 MET CG . 7053 1 224 . 1 1 22 22 MET CE C 13 16.2 0.2 . 1 . . . . 223 MET CE . 7053 1 225 . 1 1 22 22 MET N N 15 119.5 0.2 . 1 . . . . 223 MET N . 7053 1 226 . 1 1 23 23 VAL H H 1 5.91 0.02 . 1 . . . . 224 VAL HN . 7053 1 227 . 1 1 23 23 VAL HA H 1 4.65 0.02 . 1 . . . . 224 VAL HA . 7053 1 228 . 1 1 23 23 VAL HB H 1 1.73 0.02 . 1 . . . . 224 VAL HB . 7053 1 229 . 1 1 23 23 VAL HG11 H 1 0.88 0.02 . 2 . . . . 224 VAL HG1 . 7053 1 230 . 1 1 23 23 VAL HG12 H 1 0.88 0.02 . 2 . . . . 224 VAL HG1 . 7053 1 231 . 1 1 23 23 VAL HG13 H 1 0.88 0.02 . 2 . . . . 224 VAL HG1 . 7053 1 232 . 1 1 23 23 VAL HG21 H 1 0.56 0.02 . 2 . . . . 224 VAL HG2 . 7053 1 233 . 1 1 23 23 VAL HG22 H 1 0.56 0.02 . 2 . . . . 224 VAL HG2 . 7053 1 234 . 1 1 23 23 VAL HG23 H 1 0.56 0.02 . 2 . . . . 224 VAL HG2 . 7053 1 235 . 1 1 23 23 VAL C C 13 175.6 0.2 . 1 . . . . 224 VAL C . 7053 1 236 . 1 1 23 23 VAL CA C 13 61.9 0.2 . 1 . . . . 224 VAL CA . 7053 1 237 . 1 1 23 23 VAL CB C 13 34.7 0.2 . 1 . . . . 224 VAL CB . 7053 1 238 . 1 1 23 23 VAL CG1 C 13 21.4 0.2 . 1 . . . . 224 VAL CG1 . 7053 1 239 . 1 1 23 23 VAL CG2 C 13 21.2 0.2 . 1 . . . . 224 VAL CG2 . 7053 1 240 . 1 1 23 23 VAL N N 15 121.0 0.2 . 1 . . . . 224 VAL N . 7053 1 241 . 1 1 24 24 THR H H 1 8.44 0.02 . 1 . . . . 225 THR HN . 7053 1 242 . 1 1 24 24 THR HA H 1 4.25 0.02 . 1 . . . . 225 THR HA . 7053 1 243 . 1 1 24 24 THR HB H 1 4.23 0.02 . 1 . . . . 225 THR HB . 7053 1 244 . 1 1 24 24 THR HG21 H 1 1.14 0.02 . 1 . . . . 225 THR HG2 . 7053 1 245 . 1 1 24 24 THR HG22 H 1 1.14 0.02 . 1 . . . . 225 THR HG2 . 7053 1 246 . 1 1 24 24 THR HG23 H 1 1.14 0.02 . 1 . . . . 225 THR HG2 . 7053 1 247 . 1 1 24 24 THR C C 13 173.6 0.2 . 1 . . . . 225 THR C . 7053 1 248 . 1 1 24 24 THR CA C 13 60.9 0.2 . 1 . . . . 225 THR CA . 7053 1 249 . 1 1 24 24 THR CB C 13 70.7 0.2 . 1 . . . . 225 THR CB . 7053 1 250 . 1 1 24 24 THR CG2 C 13 23.3 0.2 . 1 . . . . 225 THR CG2 . 7053 1 251 . 1 1 24 24 THR N N 15 115.8 0.2 . 1 . . . . 225 THR N . 7053 1 252 . 1 1 25 25 LYS H H 1 8.28 0.02 . 1 . . . . 226 LYS HN . 7053 1 253 . 1 1 25 25 LYS HA H 1 4.29 0.02 . 1 . . . . 226 LYS HA . 7053 1 254 . 1 1 25 25 LYS HB2 H 1 1.65 0.02 . 2 . . . . 226 LYS HB1 . 7053 1 255 . 1 1 25 25 LYS HB3 H 1 1.49 0.02 . 2 . . . . 226 LYS HB2 . 7053 1 256 . 1 1 25 25 LYS HG2 H 1 1.11 0.02 . 1 . . . . 226 LYS HG1 . 7053 1 257 . 1 1 25 25 LYS HG3 H 1 1.11 0.02 . 1 . . . . 226 LYS HG2 . 7053 1 258 . 1 1 25 25 LYS HD2 H 1 1.58 0.02 . 1 . . . . 226 LYS HD1 . 7053 1 259 . 1 1 25 25 LYS HD3 H 1 1.58 0.02 . 1 . . . . 226 LYS HD2 . 7053 1 260 . 1 1 25 25 LYS HE2 H 1 3.00 0.02 . 1 . . . . 226 LYS HE1 . 7053 1 261 . 1 1 25 25 LYS HE3 H 1 3.00 0.02 . 1 . . . . 226 LYS HE2 . 7053 1 262 . 1 1 25 25 LYS C C 13 174.2 0.2 . 1 . . . . 226 LYS C . 7053 1 263 . 1 1 25 25 LYS CA C 13 54.7 0.2 . 1 . . . . 226 LYS CA . 7053 1 264 . 1 1 25 25 LYS CB C 13 32.1 0.2 . 1 . . . . 226 LYS CB . 7053 1 265 . 1 1 25 25 LYS CG C 13 25.1 0.2 . 1 . . . . 226 LYS CG . 7053 1 266 . 1 1 25 25 LYS CD C 13 29.7 0.2 . 1 . . . . 226 LYS CD . 7053 1 267 . 1 1 25 25 LYS CE C 13 42.3 0.2 . 1 . . . . 226 LYS CE . 7053 1 268 . 1 1 25 25 LYS N N 15 122.8 0.2 . 1 . . . . 226 LYS N . 7053 1 269 . 1 1 26 26 ASP H H 1 8.39 0.02 . 1 . . . . 227 ASP HN . 7053 1 270 . 1 1 26 26 ASP HA H 1 4.40 0.02 . 1 . . . . 227 ASP HA . 7053 1 271 . 1 1 26 26 ASP HB2 H 1 2.30 0.02 . 2 . . . . 227 ASP HB1 . 7053 1 272 . 1 1 26 26 ASP HB3 H 1 2.50 0.02 . 2 . . . . 227 ASP HB2 . 7053 1 273 . 1 1 26 26 ASP C C 13 172.1 0.2 . 1 . . . . 227 ASP C . 7053 1 274 . 1 1 26 26 ASP CA C 13 52.8 0.2 . 1 . . . . 227 ASP CA . 7053 1 275 . 1 1 26 26 ASP CB C 13 43.4 0.2 . 1 . . . . 227 ASP CB . 7053 1 276 . 1 1 26 26 ASP N N 15 123.9 0.2 . 1 . . . . 227 ASP N . 7053 1 277 . 1 1 27 27 ASN H H 1 8.82 0.02 . 1 . . . . 228 ASN HN . 7053 1 278 . 1 1 27 27 ASN HA H 1 5.29 0.02 . 1 . . . . 228 ASN HA . 7053 1 279 . 1 1 27 27 ASN HB2 H 1 2.91 0.02 . 1 . . . . 228 ASN HB1 . 7053 1 280 . 1 1 27 27 ASN HB3 H 1 2.91 0.02 . 1 . . . . 228 ASN HB2 . 7053 1 281 . 1 1 27 27 ASN HD21 H 1 7.26 0.02 . 2 . . . . 228 ASN HD21 . 7053 1 282 . 1 1 27 27 ASN HD22 H 1 6.51 0.02 . 2 . . . . 228 ASN HD22 . 7053 1 283 . 1 1 27 27 ASN CA C 13 48.6 0.2 . 1 . . . . 228 ASN CA . 7053 1 284 . 1 1 27 27 ASN CB C 13 39.5 0.2 . 1 . . . . 228 ASN CB . 7053 1 285 . 1 1 27 27 ASN N N 15 114.0 0.2 . 1 . . . . 228 ASN N . 7053 1 286 . 1 1 27 27 ASN ND2 N 15 108.7 0.2 . 1 . . . . 228 ASN ND2 . 7053 1 287 . 1 1 28 28 PRO HA H 1 4.68 0.02 . 1 . . . . 229 PRO HA . 7053 1 288 . 1 1 28 28 PRO HB2 H 1 2.18 0.02 . 1 . . . . 229 PRO HB1 . 7053 1 289 . 1 1 28 28 PRO HB3 H 1 2.18 0.02 . 1 . . . . 229 PRO HB2 . 7053 1 290 . 1 1 28 28 PRO HG2 H 1 1.59 0.02 . 2 . . . . 229 PRO HG1 . 7053 1 291 . 1 1 28 28 PRO HG3 H 1 1.94 0.02 . 2 . . . . 229 PRO HG2 . 7053 1 292 . 1 1 28 28 PRO HD2 H 1 3.54 0.02 . 2 . . . . 229 PRO HD1 . 7053 1 293 . 1 1 28 28 PRO HD3 H 1 3.30 0.02 . 2 . . . . 229 PRO HD2 . 7053 1 294 . 1 1 28 28 PRO C C 13 175.7 0.2 . 1 . . . . 229 PRO C . 7053 1 295 . 1 1 28 28 PRO CA C 13 63.5 0.2 . 1 . . . . 229 PRO CA . 7053 1 296 . 1 1 28 28 PRO CB C 13 35.2 0.2 . 1 . . . . 229 PRO CB . 7053 1 297 . 1 1 28 28 PRO CG C 13 24.2 0.2 . 1 . . . . 229 PRO CG . 7053 1 298 . 1 1 28 28 PRO CD C 13 50.0 0.2 . 1 . . . . 229 PRO CD . 7053 1 299 . 1 1 29 29 GLY H H 1 8.48 0.02 . 1 . . . . 230 GLY HN . 7053 1 300 . 1 1 29 29 GLY HA2 H 1 3.62 0.02 . 2 . . . . 230 GLY HA1 . 7053 1 301 . 1 1 29 29 GLY HA3 H 1 3.35 0.02 . 2 . . . . 230 GLY HA2 . 7053 1 302 . 1 1 29 29 GLY C C 13 173.2 0.2 . 1 . . . . 230 GLY C . 7053 1 303 . 1 1 29 29 GLY CA C 13 46.5 0.2 . 1 . . . . 230 GLY CA . 7053 1 304 . 1 1 29 29 GLY N N 15 105.8 0.2 . 1 . . . . 230 GLY N . 7053 1 305 . 1 1 30 30 VAL H H 1 8.18 0.02 . 1 . . . . 231 VAL HN . 7053 1 306 . 1 1 30 30 VAL HA H 1 4.22 0.02 . 1 . . . . 231 VAL HA . 7053 1 307 . 1 1 30 30 VAL HB H 1 1.75 0.02 . 1 . . . . 231 VAL HB . 7053 1 308 . 1 1 30 30 VAL HG11 H 1 0.67 0.02 . 2 . . . . 231 VAL HG1 . 7053 1 309 . 1 1 30 30 VAL HG12 H 1 0.67 0.02 . 2 . . . . 231 VAL HG1 . 7053 1 310 . 1 1 30 30 VAL HG13 H 1 0.67 0.02 . 2 . . . . 231 VAL HG1 . 7053 1 311 . 1 1 30 30 VAL HG21 H 1 0.60 0.02 . 2 . . . . 231 VAL HG2 . 7053 1 312 . 1 1 30 30 VAL HG22 H 1 0.60 0.02 . 2 . . . . 231 VAL HG2 . 7053 1 313 . 1 1 30 30 VAL HG23 H 1 0.60 0.02 . 2 . . . . 231 VAL HG2 . 7053 1 314 . 1 1 30 30 VAL C C 13 175.8 0.2 . 1 . . . . 231 VAL C . 7053 1 315 . 1 1 30 30 VAL CA C 13 62.5 0.2 . 1 . . . . 231 VAL CA . 7053 1 316 . 1 1 30 30 VAL CB C 13 33.4 0.2 . 1 . . . . 231 VAL CB . 7053 1 317 . 1 1 30 30 VAL CG1 C 13 21.8 0.2 . 1 . . . . 231 VAL CG1 . 7053 1 318 . 1 1 30 30 VAL CG2 C 13 21.1 0.2 . 1 . . . . 231 VAL CG2 . 7053 1 319 . 1 1 30 30 VAL N N 15 121.6 0.2 . 1 . . . . 231 VAL N . 7053 1 320 . 1 1 31 31 VAL H H 1 9.26 0.02 . 1 . . . . 232 VAL HN . 7053 1 321 . 1 1 31 31 VAL HA H 1 4.51 0.02 . 1 . . . . 232 VAL HA . 7053 1 322 . 1 1 31 31 VAL HB H 1 0.55 0.02 . 1 . . . . 232 VAL HB . 7053 1 323 . 1 1 31 31 VAL HG11 H 1 0.88 0.02 . 2 . . . . 232 VAL HG1 . 7053 1 324 . 1 1 31 31 VAL HG12 H 1 0.88 0.02 . 2 . . . . 232 VAL HG1 . 7053 1 325 . 1 1 31 31 VAL HG13 H 1 0.88 0.02 . 2 . . . . 232 VAL HG1 . 7053 1 326 . 1 1 31 31 VAL HG21 H 1 0.73 0.02 . 2 . . . . 232 VAL HG2 . 7053 1 327 . 1 1 31 31 VAL HG22 H 1 0.73 0.02 . 2 . . . . 232 VAL HG2 . 7053 1 328 . 1 1 31 31 VAL HG23 H 1 0.73 0.02 . 2 . . . . 232 VAL HG2 . 7053 1 329 . 1 1 31 31 VAL C C 13 174.5 0.2 . 1 . . . . 232 VAL C . 7053 1 330 . 1 1 31 31 VAL CA C 13 60.6 0.2 . 1 . . . . 232 VAL CA . 7053 1 331 . 1 1 31 31 VAL CB C 13 32.6 0.2 . 1 . . . . 232 VAL CB . 7053 1 332 . 1 1 31 31 VAL CG1 C 13 23.4 0.2 . 1 . . . . 232 VAL CG1 . 7053 1 333 . 1 1 31 31 VAL CG2 C 13 22.6 0.2 . 1 . . . . 232 VAL CG2 . 7053 1 334 . 1 1 31 31 VAL N N 15 131.6 0.2 . 1 . . . . 232 VAL N . 7053 1 335 . 1 1 32 32 THR H H 1 8.71 0.02 . 1 . . . . 233 THR HN . 7053 1 336 . 1 1 32 32 THR HA H 1 4.92 0.02 . 1 . . . . 233 THR HA . 7053 1 337 . 1 1 32 32 THR HB H 1 3.75 0.02 . 1 . . . . 233 THR HB . 7053 1 338 . 1 1 32 32 THR HG21 H 1 1.25 0.02 . 1 . . . . 233 THR HG2 . 7053 1 339 . 1 1 32 32 THR HG22 H 1 1.25 0.02 . 1 . . . . 233 THR HG2 . 7053 1 340 . 1 1 32 32 THR HG23 H 1 1.25 0.02 . 1 . . . . 233 THR HG2 . 7053 1 341 . 1 1 32 32 THR C C 13 174.9 0.2 . 1 . . . . 233 THR C . 7053 1 342 . 1 1 32 32 THR CA C 13 61.4 0.2 . 1 . . . . 233 THR CA . 7053 1 343 . 1 1 32 32 THR CB C 13 70.3 0.2 . 1 . . . . 233 THR CB . 7053 1 344 . 1 1 32 32 THR CG2 C 13 21.4 0.2 . 1 . . . . 233 THR CG2 . 7053 1 345 . 1 1 32 32 THR N N 15 121.2 0.2 . 1 . . . . 233 THR N . 7053 1 346 . 1 1 33 33 CYS H H 1 8.96 0.02 . 1 . . . . 234 CYS HN . 7053 1 347 . 1 1 33 33 CYS HA H 1 5.07 0.02 . 1 . . . . 234 CYS HA . 7053 1 348 . 1 1 33 33 CYS HB2 H 1 3.27 0.02 . 2 . . . . 234 CYS HB1 . 7053 1 349 . 1 1 33 33 CYS HB3 H 1 3.23 0.02 . 2 . . . . 234 CYS HB2 . 7053 1 350 . 1 1 33 33 CYS C C 13 173.7 0.2 . 1 . . . . 234 CYS C . 7053 1 351 . 1 1 33 33 CYS CA C 13 59.2 0.2 . 1 . . . . 234 CYS CA . 7053 1 352 . 1 1 33 33 CYS CB C 13 29.9 0.2 . 1 . . . . 234 CYS CB . 7053 1 353 . 1 1 33 33 CYS N N 15 125.8 0.2 . 1 . . . . 234 CYS N . 7053 1 354 . 1 1 34 34 LEU H H 1 8.21 0.02 . 1 . . . . 235 LEU HN . 7053 1 355 . 1 1 34 34 LEU HA H 1 4.03 0.02 . 1 . . . . 235 LEU HA . 7053 1 356 . 1 1 34 34 LEU HB2 H 1 1.29 0.02 . 2 . . . . 235 LEU HB1 . 7053 1 357 . 1 1 34 34 LEU HB3 H 1 1.77 0.02 . 2 . . . . 235 LEU HB2 . 7053 1 358 . 1 1 34 34 LEU HG H 1 1.51 0.02 . 1 . . . . 235 LEU HG . 7053 1 359 . 1 1 34 34 LEU HD11 H 1 0.92 0.02 . 2 . . . . 235 LEU HD1 . 7053 1 360 . 1 1 34 34 LEU HD12 H 1 0.92 0.02 . 2 . . . . 235 LEU HD1 . 7053 1 361 . 1 1 34 34 LEU HD13 H 1 0.92 0.02 . 2 . . . . 235 LEU HD1 . 7053 1 362 . 1 1 34 34 LEU HD21 H 1 0.94 0.02 . 2 . . . . 235 LEU HD2 . 7053 1 363 . 1 1 34 34 LEU HD22 H 1 0.94 0.02 . 2 . . . . 235 LEU HD2 . 7053 1 364 . 1 1 34 34 LEU HD23 H 1 0.94 0.02 . 2 . . . . 235 LEU HD2 . 7053 1 365 . 1 1 34 34 LEU C C 13 177.0 0.2 . 1 . . . . 235 LEU C . 7053 1 366 . 1 1 34 34 LEU CA C 13 56.0 0.2 . 1 . . . . 235 LEU CA . 7053 1 367 . 1 1 34 34 LEU CB C 13 43.2 0.2 . 1 . . . . 235 LEU CB . 7053 1 368 . 1 1 34 34 LEU CG C 13 27.2 0.2 . 1 . . . . 235 LEU CG . 7053 1 369 . 1 1 34 34 LEU CD1 C 13 24.7 0.2 . 1 . . . . 235 LEU CD1 . 7053 1 370 . 1 1 34 34 LEU CD2 C 13 24.5 0.2 . 1 . . . . 235 LEU CD2 . 7053 1 371 . 1 1 34 34 LEU N N 15 122.4 0.2 . 1 . . . . 235 LEU N . 7053 1 372 . 1 1 35 35 ASP H H 1 8.41 0.02 . 1 . . . . 236 ASP HN . 7053 1 373 . 1 1 35 35 ASP HA H 1 4.02 0.02 . 1 . . . . 236 ASP HA . 7053 1 374 . 1 1 35 35 ASP HB2 H 1 2.41 0.02 . 1 . . . . 236 ASP HB1 . 7053 1 375 . 1 1 35 35 ASP HB3 H 1 2.41 0.02 . 1 . . . . 236 ASP HB2 . 7053 1 376 . 1 1 35 35 ASP C C 13 175.6 0.2 . 1 . . . . 236 ASP C . 7053 1 377 . 1 1 35 35 ASP CA C 13 55.4 0.2 . 1 . . . . 236 ASP CA . 7053 1 378 . 1 1 35 35 ASP CB C 13 39.3 0.2 . 1 . . . . 236 ASP CB . 7053 1 379 . 1 1 35 35 ASP N N 15 122.0 0.2 . 1 . . . . 236 ASP N . 7053 1 380 . 1 1 36 36 GLU H H 1 7.66 0.02 . 1 . . . . 237 GLU HN . 7053 1 381 . 1 1 36 36 GLU HA H 1 3.54 0.02 . 1 . . . . 237 GLU HA . 7053 1 382 . 1 1 36 36 GLU HB2 H 1 1.87 0.02 . 2 . . . . 237 GLU HB1 . 7053 1 383 . 1 1 36 36 GLU HB3 H 1 1.76 0.02 . 2 . . . . 237 GLU HB2 . 7053 1 384 . 1 1 36 36 GLU HG2 H 1 2.02 0.02 . 2 . . . . 237 GLU HG1 . 7053 1 385 . 1 1 36 36 GLU HG3 H 1 1.81 0.02 . 2 . . . . 237 GLU HG2 . 7053 1 386 . 1 1 36 36 GLU C C 13 175.4 0.2 . 1 . . . . 237 GLU C . 7053 1 387 . 1 1 36 36 GLU CA C 13 57.6 0.2 . 1 . . . . 237 GLU CA . 7053 1 388 . 1 1 36 36 GLU CB C 13 28.3 0.2 . 1 . . . . 237 GLU CB . 7053 1 389 . 1 1 36 36 GLU CG C 13 36.3 0.2 . 1 . . . . 237 GLU CG . 7053 1 390 . 1 1 36 36 GLU N N 15 115.0 0.2 . 1 . . . . 237 GLU N . 7053 1 391 . 1 1 37 37 ALA H H 1 7.47 0.02 . 1 . . . . 238 ALA HN . 7053 1 392 . 1 1 37 37 ALA HA H 1 4.38 0.02 . 1 . . . . 238 ALA HA . 7053 1 393 . 1 1 37 37 ALA HB1 H 1 1.36 0.02 . 1 . . . . 238 ALA HB . 7053 1 394 . 1 1 37 37 ALA HB2 H 1 1.36 0.02 . 1 . . . . 238 ALA HB . 7053 1 395 . 1 1 37 37 ALA HB3 H 1 1.36 0.02 . 1 . . . . 238 ALA HB . 7053 1 396 . 1 1 37 37 ALA C C 13 176.1 0.2 . 1 . . . . 238 ALA C . 7053 1 397 . 1 1 37 37 ALA CA C 13 51.9 0.2 . 1 . . . . 238 ALA CA . 7053 1 398 . 1 1 37 37 ALA CB C 13 20.3 0.2 . 1 . . . . 238 ALA CB . 7053 1 399 . 1 1 37 37 ALA N N 15 121.1 0.2 . 1 . . . . 238 ALA N . 7053 1 400 . 1 1 38 38 ARG H H 1 8.13 0.02 . 1 . . . . 239 ARG HN . 7053 1 401 . 1 1 38 38 ARG HA H 1 4.00 0.02 . 1 . . . . 239 ARG HA . 7053 1 402 . 1 1 38 38 ARG HB2 H 1 1.58 0.02 . 1 . . . . 239 ARG HB1 . 7053 1 403 . 1 1 38 38 ARG HB3 H 1 1.58 0.02 . 1 . . . . 239 ARG HB2 . 7053 1 404 . 1 1 38 38 ARG HG2 H 1 1.26 0.02 . 1 . . . . 239 ARG HG1 . 7053 1 405 . 1 1 38 38 ARG HG3 H 1 1.26 0.02 . 1 . . . . 239 ARG HG2 . 7053 1 406 . 1 1 38 38 ARG HD2 H 1 3.09 0.02 . 1 . . . . 239 ARG HD1 . 7053 1 407 . 1 1 38 38 ARG HD3 H 1 3.09 0.02 . 1 . . . . 239 ARG HD2 . 7053 1 408 . 1 1 38 38 ARG C C 13 177.5 0.2 . 1 . . . . 239 ARG C . 7053 1 409 . 1 1 38 38 ARG CA C 13 55.9 0.2 . 1 . . . . 239 ARG CA . 7053 1 410 . 1 1 38 38 ARG CB C 13 29.6 0.2 . 1 . . . . 239 ARG CB . 7053 1 411 . 1 1 38 38 ARG CG C 13 27.9 0.2 . 1 . . . . 239 ARG CG . 7053 1 412 . 1 1 38 38 ARG CD C 13 43.5 0.2 . 1 . . . . 239 ARG CD . 7053 1 413 . 1 1 38 38 ARG N N 15 120.0 0.2 . 1 . . . . 239 ARG N . 7053 1 414 . 1 1 39 39 HIS H H 1 7.09 0.02 . 1 . . . . 240 HIS HN . 7053 1 415 . 1 1 39 39 HIS HA H 1 4.02 0.02 . 1 . . . . 240 HIS HA . 7053 1 416 . 1 1 39 39 HIS HB2 H 1 2.85 0.02 . 2 . . . . 240 HIS HB1 . 7053 1 417 . 1 1 39 39 HIS HB3 H 1 1.69 0.02 . 2 . . . . 240 HIS HB2 . 7053 1 418 . 1 1 39 39 HIS C C 13 175.7 0.2 . 1 . . . . 240 HIS C . 7053 1 419 . 1 1 39 39 HIS CA C 13 57.3 0.2 . 1 . . . . 240 HIS CA . 7053 1 420 . 1 1 39 39 HIS CB C 13 29.2 0.2 . 1 . . . . 240 HIS CB . 7053 1 421 . 1 1 39 39 HIS N N 15 120.7 0.2 . 1 . . . . 240 HIS N . 7053 1 422 . 1 1 40 40 GLY H H 1 8.03 0.02 . 1 . . . . 241 GLY HN . 7053 1 423 . 1 1 40 40 GLY HA2 H 1 3.84 0.02 . 2 . . . . 241 GLY HA1 . 7053 1 424 . 1 1 40 40 GLY HA3 H 1 3.61 0.02 . 2 . . . . 241 GLY HA2 . 7053 1 425 . 1 1 40 40 GLY C C 13 175.4 0.2 . 1 . . . . 241 GLY C . 7053 1 426 . 1 1 40 40 GLY CA C 13 45.6 0.2 . 1 . . . . 241 GLY CA . 7053 1 427 . 1 1 40 40 GLY N N 15 107.0 0.2 . 1 . . . . 241 GLY N . 7053 1 428 . 1 1 41 41 PHE H H 1 10.74 0.02 . 1 . . . . 242 PHE HN . 7053 1 429 . 1 1 41 41 PHE HA H 1 4.67 0.02 . 1 . . . . 242 PHE HA . 7053 1 430 . 1 1 41 41 PHE HB2 H 1 3.11 0.02 . 2 . . . . 242 PHE HB1 . 7053 1 431 . 1 1 41 41 PHE HB3 H 1 2.19 0.02 . 2 . . . . 242 PHE HB2 . 7053 1 432 . 1 1 41 41 PHE HD1 H 1 6.16 0.02 . 1 . . . . 242 PHE HD1 . 7053 1 433 . 1 1 41 41 PHE HD2 H 1 6.16 0.02 . 1 . . . . 242 PHE HD2 . 7053 1 434 . 1 1 41 41 PHE HE1 H 1 6.73 0.02 . 1 . . . . 242 PHE HE1 . 7053 1 435 . 1 1 41 41 PHE HE2 H 1 6.73 0.02 . 1 . . . . 242 PHE HE2 . 7053 1 436 . 1 1 41 41 PHE HZ H 1 6.85 0.02 . 1 . . . . 242 PHE HZ . 7053 1 437 . 1 1 41 41 PHE C C 13 175.1 0.2 . 1 . . . . 242 PHE C . 7053 1 438 . 1 1 41 41 PHE CA C 13 54.2 0.2 . 1 . . . . 242 PHE CA . 7053 1 439 . 1 1 41 41 PHE CB C 13 39.3 0.2 . 1 . . . . 242 PHE CB . 7053 1 440 . 1 1 41 41 PHE CD1 C 13 130.3 0.2 . 1 . . . . 242 PHE CD1 . 7053 1 441 . 1 1 41 41 PHE CE1 C 13 130.5 0.2 . 1 . . . . 242 PHE CE1 . 7053 1 442 . 1 1 41 41 PHE CZ C 13 129.8 0.2 . 1 . . . . 242 PHE CZ . 7053 1 443 . 1 1 41 41 PHE N N 15 124.0 0.2 . 1 . . . . 242 PHE N . 7053 1 444 . 1 1 42 42 GLU H H 1 8.86 0.02 . 1 . . . . 243 GLU HN . 7053 1 445 . 1 1 42 42 GLU HA H 1 4.69 0.02 . 1 . . . . 243 GLU HA . 7053 1 446 . 1 1 42 42 GLU HB2 H 1 1.96 0.02 . 2 . . . . 243 GLU HB1 . 7053 1 447 . 1 1 42 42 GLU HB3 H 1 1.73 0.02 . 2 . . . . 243 GLU HB2 . 7053 1 448 . 1 1 42 42 GLU HG2 H 1 2.30 0.02 . 2 . . . . 243 GLU HG1 . 7053 1 449 . 1 1 42 42 GLU HG3 H 1 2.19 0.02 . 2 . . . . 243 GLU HG2 . 7053 1 450 . 1 1 42 42 GLU C C 13 175.8 0.2 . 1 . . . . 243 GLU C . 7053 1 451 . 1 1 42 42 GLU CA C 13 54.4 0.2 . 1 . . . . 243 GLU CA . 7053 1 452 . 1 1 42 42 GLU CB C 13 33.1 0.2 . 1 . . . . 243 GLU CB . 7053 1 453 . 1 1 42 42 GLU CG C 13 36.1 0.2 . 1 . . . . 243 GLU CG . 7053 1 454 . 1 1 42 42 GLU N N 15 119.3 0.2 . 1 . . . . 243 GLU N . 7053 1 455 . 1 1 43 43 THR H H 1 8.98 0.02 . 1 . . . . 244 THR HN . 7053 1 456 . 1 1 43 43 THR HA H 1 3.76 0.02 . 1 . . . . 244 THR HA . 7053 1 457 . 1 1 43 43 THR HB H 1 4.13 0.02 . 1 . . . . 244 THR HB . 7053 1 458 . 1 1 43 43 THR HG21 H 1 1.39 0.02 . 1 . . . . 244 THR HG2 . 7053 1 459 . 1 1 43 43 THR HG22 H 1 1.39 0.02 . 1 . . . . 244 THR HG2 . 7053 1 460 . 1 1 43 43 THR HG23 H 1 1.39 0.02 . 1 . . . . 244 THR HG2 . 7053 1 461 . 1 1 43 43 THR C C 13 175.3 0.2 . 1 . . . . 244 THR C . 7053 1 462 . 1 1 43 43 THR CA C 13 65.7 0.2 . 1 . . . . 244 THR CA . 7053 1 463 . 1 1 43 43 THR CB C 13 69.3 0.2 . 1 . . . . 244 THR CB . 7053 1 464 . 1 1 43 43 THR CG2 C 13 23.3 0.2 . 1 . . . . 244 THR CG2 . 7053 1 465 . 1 1 43 43 THR N N 15 120.3 0.2 . 1 . . . . 244 THR N . 7053 1 466 . 1 1 44 44 GLY H H 1 8.58 0.02 . 1 . . . . 245 GLY HN . 7053 1 467 . 1 1 44 44 GLY HA2 H 1 4.46 0.02 . 2 . . . . 245 GLY HA1 . 7053 1 468 . 1 1 44 44 GLY HA3 H 1 3.70 0.02 . 2 . . . . 245 GLY HA2 . 7053 1 469 . 1 1 44 44 GLY C C 13 174.5 0.2 . 1 . . . . 245 GLY C . 7053 1 470 . 1 1 44 44 GLY CA C 13 44.6 0.2 . 1 . . . . 245 GLY CA . 7053 1 471 . 1 1 44 44 GLY N N 15 117.1 0.2 . 1 . . . . 245 GLY N . 7053 1 472 . 1 1 45 45 ASP H H 1 7.97 0.02 . 1 . . . . 246 ASP HN . 7053 1 473 . 1 1 45 45 ASP HA H 1 4.51 0.02 . 1 . . . . 246 ASP HA . 7053 1 474 . 1 1 45 45 ASP HB2 H 1 2.50 0.02 . 2 . . . . 246 ASP HB1 . 7053 1 475 . 1 1 45 45 ASP HB3 H 1 2.23 0.02 . 2 . . . . 246 ASP HB2 . 7053 1 476 . 1 1 45 45 ASP C C 13 174.1 0.2 . 1 . . . . 246 ASP C . 7053 1 477 . 1 1 45 45 ASP CA C 13 55.3 0.2 . 1 . . . . 246 ASP CA . 7053 1 478 . 1 1 45 45 ASP CB C 13 41.3 0.2 . 1 . . . . 246 ASP CB . 7053 1 479 . 1 1 45 45 ASP N N 15 121.1 0.2 . 1 . . . . 246 ASP N . 7053 1 480 . 1 1 46 46 PHE H H 1 8.77 0.02 . 1 . . . . 247 PHE HN . 7053 1 481 . 1 1 46 46 PHE HA H 1 5.16 0.02 . 1 . . . . 247 PHE HA . 7053 1 482 . 1 1 46 46 PHE HB2 H 1 3.02 0.02 . 2 . . . . 247 PHE HB1 . 7053 1 483 . 1 1 46 46 PHE HB3 H 1 2.37 0.02 . 2 . . . . 247 PHE HB2 . 7053 1 484 . 1 1 46 46 PHE HD1 H 1 7.03 0.02 . 1 . . . . 247 PHE HD1 . 7053 1 485 . 1 1 46 46 PHE HD2 H 1 7.03 0.02 . 1 . . . . 247 PHE HD2 . 7053 1 486 . 1 1 46 46 PHE HE1 H 1 7.34 0.02 . 1 . . . . 247 PHE HE1 . 7053 1 487 . 1 1 46 46 PHE HE2 H 1 7.34 0.02 . 1 . . . . 247 PHE HE2 . 7053 1 488 . 1 1 46 46 PHE HZ H 1 7.21 0.02 . 1 . . . . 247 PHE HZ . 7053 1 489 . 1 1 46 46 PHE C C 13 176.5 0.2 . 1 . . . . 247 PHE C . 7053 1 490 . 1 1 46 46 PHE CA C 13 56.3 0.2 . 1 . . . . 247 PHE CA . 7053 1 491 . 1 1 46 46 PHE CB C 13 41.8 0.2 . 1 . . . . 247 PHE CB . 7053 1 492 . 1 1 46 46 PHE CD1 C 13 131.8 0.2 . 1 . . . . 247 PHE CD1 . 7053 1 493 . 1 1 46 46 PHE CE1 C 13 131.4 0.2 . 1 . . . . 247 PHE CE1 . 7053 1 494 . 1 1 46 46 PHE N N 15 118.0 0.2 . 1 . . . . 247 PHE N . 7053 1 495 . 1 1 47 47 VAL H H 1 8.72 0.02 . 1 . . . . 248 VAL HN . 7053 1 496 . 1 1 47 47 VAL HA H 1 5.37 0.02 . 1 . . . . 248 VAL HA . 7053 1 497 . 1 1 47 47 VAL HB H 1 1.62 0.02 . 1 . . . . 248 VAL HB . 7053 1 498 . 1 1 47 47 VAL HG11 H 1 -0.16 0.02 . 2 . . . . 248 VAL HG1 . 7053 1 499 . 1 1 47 47 VAL HG12 H 1 -0.16 0.02 . 2 . . . . 248 VAL HG1 . 7053 1 500 . 1 1 47 47 VAL HG13 H 1 -0.16 0.02 . 2 . . . . 248 VAL HG1 . 7053 1 501 . 1 1 47 47 VAL HG21 H 1 0.45 0.02 . 2 . . . . 248 VAL HG2 . 7053 1 502 . 1 1 47 47 VAL HG22 H 1 0.45 0.02 . 2 . . . . 248 VAL HG2 . 7053 1 503 . 1 1 47 47 VAL HG23 H 1 0.45 0.02 . 2 . . . . 248 VAL HG2 . 7053 1 504 . 1 1 47 47 VAL C C 13 175.2 0.2 . 1 . . . . 248 VAL C . 7053 1 505 . 1 1 47 47 VAL CA C 13 58.0 0.2 . 1 . . . . 248 VAL CA . 7053 1 506 . 1 1 47 47 VAL CB C 13 35.8 0.2 . 1 . . . . 248 VAL CB . 7053 1 507 . 1 1 47 47 VAL CG1 C 13 20.1 0.2 . 1 . . . . 248 VAL CG1 . 7053 1 508 . 1 1 47 47 VAL CG2 C 13 18.1 0.2 . 1 . . . . 248 VAL CG2 . 7053 1 509 . 1 1 47 47 VAL N N 15 110.8 0.2 . 1 . . . . 248 VAL N . 7053 1 510 . 1 1 48 48 SER H H 1 8.45 0.02 . 1 . . . . 249 SER HN . 7053 1 511 . 1 1 48 48 SER HA H 1 4.74 0.02 . 1 . . . . 249 SER HA . 7053 1 512 . 1 1 48 48 SER HB2 H 1 3.80 0.02 . 2 . . . . 249 SER HB1 . 7053 1 513 . 1 1 48 48 SER HB3 H 1 3.49 0.02 . 2 . . . . 249 SER HB2 . 7053 1 514 . 1 1 48 48 SER C C 13 172.5 0.2 . 1 . . . . 249 SER C . 7053 1 515 . 1 1 48 48 SER CA C 13 56.5 0.2 . 1 . . . . 249 SER CA . 7053 1 516 . 1 1 48 48 SER CB C 13 65.7 0.2 . 1 . . . . 249 SER CB . 7053 1 517 . 1 1 48 48 SER N N 15 112.5 0.2 . 1 . . . . 249 SER N . 7053 1 518 . 1 1 49 49 PHE H H 1 8.50 0.02 . 1 . . . . 250 PHE HN . 7053 1 519 . 1 1 49 49 PHE HA H 1 5.74 0.02 . 1 . . . . 250 PHE HA . 7053 1 520 . 1 1 49 49 PHE HB2 H 1 3.16 0.02 . 2 . . . . 250 PHE HB1 . 7053 1 521 . 1 1 49 49 PHE HB3 H 1 2.83 0.02 . 2 . . . . 250 PHE HB2 . 7053 1 522 . 1 1 49 49 PHE HD1 H 1 7.27 0.02 . 1 . . . . 250 PHE HD1 . 7053 1 523 . 1 1 49 49 PHE HD2 H 1 7.27 0.02 . 1 . . . . 250 PHE HD2 . 7053 1 524 . 1 1 49 49 PHE C C 13 175.4 0.2 . 1 . . . . 250 PHE C . 7053 1 525 . 1 1 49 49 PHE CA C 13 57.1 0.2 . 1 . . . . 250 PHE CA . 7053 1 526 . 1 1 49 49 PHE CB C 13 43.6 0.2 . 1 . . . . 250 PHE CB . 7053 1 527 . 1 1 49 49 PHE N N 15 119.6 0.2 . 1 . . . . 250 PHE N . 7053 1 528 . 1 1 50 50 SER H H 1 8.84 0.02 . 1 . . . . 251 SER HN . 7053 1 529 . 1 1 50 50 SER HA H 1 4.79 0.02 . 1 . . . . 251 SER HA . 7053 1 530 . 1 1 50 50 SER HB2 H 1 3.92 0.02 . 2 . . . . 251 SER HB1 . 7053 1 531 . 1 1 50 50 SER HB3 H 1 3.85 0.02 . 2 . . . . 251 SER HB2 . 7053 1 532 . 1 1 50 50 SER C C 13 173.3 0.2 . 1 . . . . 251 SER C . 7053 1 533 . 1 1 50 50 SER CA C 13 57.9 0.2 . 1 . . . . 251 SER CA . 7053 1 534 . 1 1 50 50 SER CB C 13 66.3 0.2 . 1 . . . . 251 SER CB . 7053 1 535 . 1 1 50 50 SER N N 15 113.1 0.2 . 1 . . . . 251 SER N . 7053 1 536 . 1 1 51 51 GLU H H 1 8.85 0.02 . 1 . . . . 252 GLU HN . 7053 1 537 . 1 1 51 51 GLU HA H 1 3.80 0.02 . 1 . . . . 252 GLU HA . 7053 1 538 . 1 1 51 51 GLU HB2 H 1 2.39 0.02 . 2 . . . . 252 GLU HB1 . 7053 1 539 . 1 1 51 51 GLU HB3 H 1 2.32 0.02 . 2 . . . . 252 GLU HB2 . 7053 1 540 . 1 1 51 51 GLU HG2 H 1 2.26 0.02 . 2 . . . . 252 GLU HG2 . 7053 1 541 . 1 1 51 51 GLU HG3 H 1 2.19 0.02 . 2 . . . . 252 GLU HG3 . 7053 1 542 . 1 1 51 51 GLU C C 13 175.1 0.2 . 1 . . . . 252 GLU C . 7053 1 543 . 1 1 51 51 GLU CA C 13 57.9 0.2 . 1 . . . . 252 GLU CA . 7053 1 544 . 1 1 51 51 GLU CB C 13 27.5 0.2 . 1 . . . . 252 GLU CB . 7053 1 545 . 1 1 51 51 GLU CG C 13 36.5 0.2 . 1 . . . . 252 GLU CG . 7053 1 546 . 1 1 51 51 GLU N N 15 112.9 0.2 . 1 . . . . 252 GLU N . 7053 1 547 . 1 1 52 52 VAL H H 1 9.50 0.02 . 1 . . . . 253 VAL HN . 7053 1 548 . 1 1 52 52 VAL HA H 1 3.43 0.02 . 1 . . . . 253 VAL HA . 7053 1 549 . 1 1 52 52 VAL HB H 1 2.00 0.02 . 1 . . . . 253 VAL HB . 7053 1 550 . 1 1 52 52 VAL HG11 H 1 0.87 0.02 . 2 . . . . 253 VAL HG1 . 7053 1 551 . 1 1 52 52 VAL HG12 H 1 0.87 0.02 . 2 . . . . 253 VAL HG1 . 7053 1 552 . 1 1 52 52 VAL HG13 H 1 0.87 0.02 . 2 . . . . 253 VAL HG1 . 7053 1 553 . 1 1 52 52 VAL HG21 H 1 1.11 0.02 . 2 . . . . 253 VAL HG2 . 7053 1 554 . 1 1 52 52 VAL HG22 H 1 1.11 0.02 . 2 . . . . 253 VAL HG2 . 7053 1 555 . 1 1 52 52 VAL HG23 H 1 1.11 0.02 . 2 . . . . 253 VAL HG2 . 7053 1 556 . 1 1 52 52 VAL C C 13 177.6 0.2 . 1 . . . . 253 VAL C . 7053 1 557 . 1 1 52 52 VAL CA C 13 65.3 0.2 . 1 . . . . 253 VAL CA . 7053 1 558 . 1 1 52 52 VAL CB C 13 31.7 0.2 . 1 . . . . 253 VAL CB . 7053 1 559 . 1 1 52 52 VAL CG1 C 13 23.5 0.2 . 1 . . . . 253 VAL CG1 . 7053 1 560 . 1 1 52 52 VAL CG2 C 13 23.1 0.2 . 1 . . . . 253 VAL CG2 . 7053 1 561 . 1 1 52 52 VAL N N 15 122.0 0.2 . 1 . . . . 253 VAL N . 7053 1 562 . 1 1 53 53 GLN H H 1 8.33 0.02 . 1 . . . . 254 GLN HN . 7053 1 563 . 1 1 53 53 GLN HA H 1 4.50 0.02 . 1 . . . . 254 GLN HA . 7053 1 564 . 1 1 53 53 GLN HB2 H 1 1.91 0.02 . 1 . . . . 254 GLN HB1 . 7053 1 565 . 1 1 53 53 GLN HB3 H 1 1.91 0.02 . 1 . . . . 254 GLN HB2 . 7053 1 566 . 1 1 53 53 GLN HG2 H 1 2.34 0.02 . 1 . . . . 254 GLN HG1 . 7053 1 567 . 1 1 53 53 GLN HG3 H 1 2.34 0.02 . 1 . . . . 254 GLN HG2 . 7053 1 568 . 1 1 53 53 GLN C C 13 178.1 0.2 . 1 . . . . 254 GLN C . 7053 1 569 . 1 1 53 53 GLN CA C 13 54.8 0.2 . 1 . . . . 254 GLN CA . 7053 1 570 . 1 1 53 53 GLN CB C 13 28.9 0.2 . 1 . . . . 254 GLN CB . 7053 1 571 . 1 1 53 53 GLN CG C 13 33.6 0.2 . 1 . . . . 254 GLN CG . 7053 1 572 . 1 1 53 53 GLN N N 15 124.3 0.2 . 1 . . . . 254 GLN N . 7053 1 573 . 1 1 54 54 GLY H H 1 9.55 0.02 . 1 . . . . 255 GLY HN . 7053 1 574 . 1 1 54 54 GLY HA2 H 1 4.78 0.02 . 2 . . . . 255 GLY HA1 . 7053 1 575 . 1 1 54 54 GLY HA3 H 1 3.40 0.02 . 2 . . . . 255 GLY HA2 . 7053 1 576 . 1 1 54 54 GLY C C 13 175.2 0.2 . 1 . . . . 255 GLY C . 7053 1 577 . 1 1 54 54 GLY CA C 13 46.5 0.2 . 1 . . . . 255 GLY CA . 7053 1 578 . 1 1 54 54 GLY N N 15 116.7 0.2 . 1 . . . . 255 GLY N . 7053 1 579 . 1 1 55 55 MET H H 1 6.53 0.02 . 1 . . . . 256 MET HN . 7053 1 580 . 1 1 55 55 MET HA H 1 4.44 0.02 . 1 . . . . 256 MET HA . 7053 1 581 . 1 1 55 55 MET HB2 H 1 1.94 0.02 . 1 . . . . 256 MET HB1 . 7053 1 582 . 1 1 55 55 MET HB3 H 1 1.94 0.02 . 1 . . . . 256 MET HB2 . 7053 1 583 . 1 1 55 55 MET HG2 H 1 3.14 0.02 . 1 . . . . 256 MET HG2 . 7053 1 584 . 1 1 55 55 MET HG3 H 1 3.14 0.02 . 1 . . . . 256 MET HG3 . 7053 1 585 . 1 1 55 55 MET HE1 H 1 2.12 0.02 . 1 . . . . 256 MET HE . 7053 1 586 . 1 1 55 55 MET HE2 H 1 2.12 0.02 . 1 . . . . 256 MET HE . 7053 1 587 . 1 1 55 55 MET HE3 H 1 2.12 0.02 . 1 . . . . 256 MET HE . 7053 1 588 . 1 1 55 55 MET C C 13 176.5 0.2 . 1 . . . . 256 MET C . 7053 1 589 . 1 1 55 55 MET CA C 13 54.5 0.2 . 1 . . . . 256 MET CA . 7053 1 590 . 1 1 55 55 MET CB C 13 34.2 0.2 . 1 . . . . 256 MET CB . 7053 1 591 . 1 1 55 55 MET CG C 13 32.7 0.2 . 1 . . . . 256 MET CG . 7053 1 592 . 1 1 55 55 MET CE C 13 16.8 0.2 . 1 . . . . 256 MET CE . 7053 1 593 . 1 1 55 55 MET N N 15 127.6 0.2 . 1 . . . . 256 MET N . 7053 1 594 . 1 1 56 56 ILE H H 1 7.60 0.02 . 1 . . . . 257 ILE HN . 7053 1 595 . 1 1 56 56 ILE HA H 1 3.67 0.02 . 1 . . . . 257 ILE HA . 7053 1 596 . 1 1 56 56 ILE HB H 1 2.13 0.02 . 1 . . . . 257 ILE HB . 7053 1 597 . 1 1 56 56 ILE HG12 H 1 1.03 0.02 . 1 . . . . 257 ILE HG12 . 7053 1 598 . 1 1 56 56 ILE HG13 H 1 1.03 0.02 . 1 . . . . 257 ILE HG13 . 7053 1 599 . 1 1 56 56 ILE HG21 H 1 0.91 0.02 . 1 . . . . 257 ILE HG2 . 7053 1 600 . 1 1 56 56 ILE HG22 H 1 0.91 0.02 . 1 . . . . 257 ILE HG2 . 7053 1 601 . 1 1 56 56 ILE HG23 H 1 0.91 0.02 . 1 . . . . 257 ILE HG2 . 7053 1 602 . 1 1 56 56 ILE HD11 H 1 0.82 0.02 . 1 . . . . 257 ILE HD1 . 7053 1 603 . 1 1 56 56 ILE HD12 H 1 0.82 0.02 . 1 . . . . 257 ILE HD1 . 7053 1 604 . 1 1 56 56 ILE HD13 H 1 0.82 0.02 . 1 . . . . 257 ILE HD1 . 7053 1 605 . 1 1 56 56 ILE C C 13 178.1 0.2 . 1 . . . . 257 ILE C . 7053 1 606 . 1 1 56 56 ILE CA C 13 63.7 0.2 . 1 . . . . 257 ILE CA . 7053 1 607 . 1 1 56 56 ILE CB C 13 37.2 0.2 . 1 . . . . 257 ILE CB . 7053 1 608 . 1 1 56 56 ILE CG1 C 13 25.8 0.2 . 1 . . . . 257 ILE CG1 . 7053 1 609 . 1 1 56 56 ILE CG2 C 13 19.0 0.2 . 1 . . . . 257 ILE CG2 . 7053 1 610 . 1 1 56 56 ILE CD1 C 13 13.8 0.2 . 1 . . . . 257 ILE CD1 . 7053 1 611 . 1 1 56 56 ILE N N 15 114.2 0.2 . 1 . . . . 257 ILE N . 7053 1 612 . 1 1 57 57 GLN H H 1 8.42 0.02 . 1 . . . . 258 GLN HN . 7053 1 613 . 1 1 57 57 GLN HA H 1 3.64 0.02 . 1 . . . . 258 GLN HA . 7053 1 614 . 1 1 57 57 GLN HB2 H 1 0.83 0.02 . 2 . . . . 258 GLN HB1 . 7053 1 615 . 1 1 57 57 GLN HB3 H 1 0.47 0.02 . 2 . . . . 258 GLN HB2 . 7053 1 616 . 1 1 57 57 GLN HG2 H 1 2.19 0.02 . 2 . . . . 258 GLN HG1 . 7053 1 617 . 1 1 57 57 GLN HG3 H 1 2.38 0.02 . 2 . . . . 258 GLN HG2 . 7053 1 618 . 1 1 57 57 GLN HE21 H 1 7.61 0.02 . 2 . . . . 258 GLN HE21 . 7053 1 619 . 1 1 57 57 GLN HE22 H 1 7.21 0.02 . 2 . . . . 258 GLN HE22 . 7053 1 620 . 1 1 57 57 GLN C C 13 177.8 0.2 . 1 . . . . 258 GLN C . 7053 1 621 . 1 1 57 57 GLN CA C 13 59.6 0.2 . 1 . . . . 258 GLN CA . 7053 1 622 . 1 1 57 57 GLN CB C 13 24.4 0.2 . 1 . . . . 258 GLN CB . 7053 1 623 . 1 1 57 57 GLN CG C 13 34.6 0.2 . 1 . . . . 258 GLN CG . 7053 1 624 . 1 1 57 57 GLN N N 15 121.6 0.2 . 1 . . . . 258 GLN N . 7053 1 625 . 1 1 57 57 GLN NE2 N 15 111.3 0.2 . 1 . . . . 258 GLN NE2 . 7053 1 626 . 1 1 58 58 LEU H H 1 7.10 0.02 . 1 . . . . 259 LEU HN . 7053 1 627 . 1 1 58 58 LEU HA H 1 3.95 0.02 . 1 . . . . 259 LEU HA . 7053 1 628 . 1 1 58 58 LEU HB2 H 1 1.28 0.02 . 2 . . . . 259 LEU HB1 . 7053 1 629 . 1 1 58 58 LEU HB3 H 1 1.00 0.02 . 2 . . . . 259 LEU HB2 . 7053 1 630 . 1 1 58 58 LEU HG H 1 1.32 0.02 . 1 . . . . 259 LEU HG . 7053 1 631 . 1 1 58 58 LEU HD11 H 1 0.33 0.02 . 2 . . . . 259 LEU HD1 . 7053 1 632 . 1 1 58 58 LEU HD12 H 1 0.33 0.02 . 2 . . . . 259 LEU HD1 . 7053 1 633 . 1 1 58 58 LEU HD13 H 1 0.33 0.02 . 2 . . . . 259 LEU HD1 . 7053 1 634 . 1 1 58 58 LEU HD21 H 1 0.51 0.02 . 2 . . . . 259 LEU HD2 . 7053 1 635 . 1 1 58 58 LEU HD22 H 1 0.51 0.02 . 2 . . . . 259 LEU HD2 . 7053 1 636 . 1 1 58 58 LEU HD23 H 1 0.51 0.02 . 2 . . . . 259 LEU HD2 . 7053 1 637 . 1 1 58 58 LEU C C 13 178.1 0.2 . 1 . . . . 259 LEU C . 7053 1 638 . 1 1 58 58 LEU CA C 13 56.2 0.2 . 1 . . . . 259 LEU CA . 7053 1 639 . 1 1 58 58 LEU CB C 13 42.0 0.2 . 1 . . . . 259 LEU CB . 7053 1 640 . 1 1 58 58 LEU CG C 13 26.8 0.2 . 1 . . . . 259 LEU CG . 7053 1 641 . 1 1 58 58 LEU CD1 C 13 25.8 0.2 . 1 . . . . 259 LEU CD1 . 7053 1 642 . 1 1 58 58 LEU CD2 C 13 22.7 0.2 . 1 . . . . 259 LEU CD2 . 7053 1 643 . 1 1 58 58 LEU N N 15 113.6 0.2 . 1 . . . . 259 LEU N . 7053 1 644 . 1 1 59 59 ASN H H 1 7.09 0.02 . 1 . . . . 260 ASN HN . 7053 1 645 . 1 1 59 59 ASN HA H 1 4.62 0.02 . 1 . . . . 260 ASN HA . 7053 1 646 . 1 1 59 59 ASN HB2 H 1 2.81 0.02 . 2 . . . . 260 ASN HB1 . 7053 1 647 . 1 1 59 59 ASN HB3 H 1 2.76 0.02 . 2 . . . . 260 ASN HB2 . 7053 1 648 . 1 1 59 59 ASN HD21 H 1 7.78 0.02 . 2 . . . . 260 ASN HD21 . 7053 1 649 . 1 1 59 59 ASN HD22 H 1 7.24 0.02 . 2 . . . . 260 ASN HD22 . 7053 1 650 . 1 1 59 59 ASN C C 13 177.2 0.2 . 1 . . . . 260 ASN C . 7053 1 651 . 1 1 59 59 ASN CA C 13 54.3 0.2 . 1 . . . . 260 ASN CA . 7053 1 652 . 1 1 59 59 ASN CB C 13 37.8 0.2 . 1 . . . . 260 ASN CB . 7053 1 653 . 1 1 59 59 ASN N N 15 115.4 0.2 . 1 . . . . 260 ASN N . 7053 1 654 . 1 1 59 59 ASN ND2 N 15 111.1 0.2 . 1 . . . . 260 ASN ND2 . 7053 1 655 . 1 1 60 60 GLY H H 1 8.59 0.02 . 1 . . . . 261 GLY HN . 7053 1 656 . 1 1 60 60 GLY HA2 H 1 4.18 0.02 . 2 . . . . 261 GLY HA1 . 7053 1 657 . 1 1 60 60 GLY HA3 H 1 3.89 0.02 . 2 . . . . 261 GLY HA2 . 7053 1 658 . 1 1 60 60 GLY C C 13 174.9 0.2 . 1 . . . . 261 GLY C . 7053 1 659 . 1 1 60 60 GLY CA C 13 45.9 0.2 . 1 . . . . 261 GLY CA . 7053 1 660 . 1 1 60 60 GLY N N 15 110.6 0.2 . 1 . . . . 261 GLY N . 7053 1 661 . 1 1 61 61 CYS H H 1 7.40 0.02 . 1 . . . . 262 CYS HN . 7053 1 662 . 1 1 61 61 CYS HA H 1 4.57 0.02 . 1 . . . . 262 CYS HA . 7053 1 663 . 1 1 61 61 CYS HB2 H 1 3.00 0.02 . 2 . . . . 262 CYS HB1 . 7053 1 664 . 1 1 61 61 CYS HB3 H 1 3.37 0.02 . 2 . . . . 262 CYS HB2 . 7053 1 665 . 1 1 61 61 CYS C C 13 175.1 0.2 . 1 . . . . 262 CYS C . 7053 1 666 . 1 1 61 61 CYS CA C 13 58.0 0.2 . 1 . . . . 262 CYS CA . 7053 1 667 . 1 1 61 61 CYS CB C 13 29.1 0.2 . 1 . . . . 262 CYS CB . 7053 1 668 . 1 1 61 61 CYS N N 15 116.8 0.2 . 1 . . . . 262 CYS N . 7053 1 669 . 1 1 62 62 GLN H H 1 8.67 0.02 . 1 . . . . 263 GLN HN . 7053 1 670 . 1 1 62 62 GLN HA H 1 4.45 0.02 . 1 . . . . 263 GLN HA . 7053 1 671 . 1 1 62 62 GLN HB2 H 1 2.19 0.02 . 2 . . . . 263 GLN HB1 . 7053 1 672 . 1 1 62 62 GLN HB3 H 1 2.05 0.02 . 2 . . . . 263 GLN HB2 . 7053 1 673 . 1 1 62 62 GLN HG2 H 1 2.56 0.02 . 1 . . . . 263 GLN HG1 . 7053 1 674 . 1 1 62 62 GLN HG3 H 1 2.56 0.02 . 1 . . . . 263 GLN HG2 . 7053 1 675 . 1 1 62 62 GLN HE21 H 1 7.72 0.02 . 2 . . . . 263 GLN HE21 . 7053 1 676 . 1 1 62 62 GLN HE22 H 1 6.92 0.02 . 2 . . . . 263 GLN HE22 . 7053 1 677 . 1 1 62 62 GLN CA C 13 54.9 0.2 . 1 . . . . 263 GLN CA . 7053 1 678 . 1 1 62 62 GLN CB C 13 27.3 0.2 . 1 . . . . 263 GLN CB . 7053 1 679 . 1 1 62 62 GLN CG C 13 33.8 0.2 . 1 . . . . 263 GLN CG . 7053 1 680 . 1 1 62 62 GLN N N 15 122.5 0.2 . 1 . . . . 263 GLN N . 7053 1 681 . 1 1 62 62 GLN NE2 N 15 113.0 0.2 . 1 . . . . 263 GLN NE2 . 7053 1 682 . 1 1 63 63 PRO HA H 1 4.54 0.02 . 1 . . . . 264 PRO HA . 7053 1 683 . 1 1 63 63 PRO HB2 H 1 1.92 0.02 . 2 . . . . 264 PRO HB1 . 7053 1 684 . 1 1 63 63 PRO HB3 H 1 1.85 0.02 . 2 . . . . 264 PRO HB2 . 7053 1 685 . 1 1 63 63 PRO HG2 H 1 2.09 0.02 . 2 . . . . 264 PRO HG1 . 7053 1 686 . 1 1 63 63 PRO HG3 H 1 1.91 0.02 . 2 . . . . 264 PRO HG2 . 7053 1 687 . 1 1 63 63 PRO HD2 H 1 3.94 0.02 . 2 . . . . 264 PRO HD1 . 7053 1 688 . 1 1 63 63 PRO HD3 H 1 3.57 0.02 . 2 . . . . 264 PRO HD2 . 7053 1 689 . 1 1 63 63 PRO C C 13 176.0 0.2 . 1 . . . . 264 PRO C . 7053 1 690 . 1 1 63 63 PRO CA C 13 63.8 0.2 . 1 . . . . 264 PRO CA . 7053 1 691 . 1 1 63 63 PRO CB C 13 32.2 0.2 . 1 . . . . 264 PRO CB . 7053 1 692 . 1 1 63 63 PRO CG C 13 28.5 0.2 . 1 . . . . 264 PRO CG . 7053 1 693 . 1 1 63 63 PRO CD C 13 50.3 0.2 . 1 . . . . 264 PRO CD . 7053 1 694 . 1 1 64 64 MET H H 1 9.11 0.02 . 1 . . . . 265 MET HN . 7053 1 695 . 1 1 64 64 MET HA H 1 4.96 0.02 . 1 . . . . 265 MET HA . 7053 1 696 . 1 1 64 64 MET HB2 H 1 2.13 0.02 . 1 . . . . 265 MET HB1 . 7053 1 697 . 1 1 64 64 MET HB3 H 1 2.13 0.02 . 1 . . . . 265 MET HB2 . 7053 1 698 . 1 1 64 64 MET HG2 H 1 2.73 0.02 . 2 . . . . 265 MET HG1 . 7053 1 699 . 1 1 64 64 MET HG3 H 1 2.62 0.02 . 2 . . . . 265 MET HG2 . 7053 1 700 . 1 1 64 64 MET HE1 H 1 2.45 0.02 . 1 . . . . 265 MET HE . 7053 1 701 . 1 1 64 64 MET HE2 H 1 2.45 0.02 . 1 . . . . 265 MET HE . 7053 1 702 . 1 1 64 64 MET HE3 H 1 2.45 0.02 . 1 . . . . 265 MET HE . 7053 1 703 . 1 1 64 64 MET C C 13 173.6 0.2 . 1 . . . . 265 MET C . 7053 1 704 . 1 1 64 64 MET CA C 13 53.9 0.2 . 1 . . . . 265 MET CA . 7053 1 705 . 1 1 64 64 MET CB C 13 36.1 0.2 . 1 . . . . 265 MET CB . 7053 1 706 . 1 1 64 64 MET CG C 13 30.7 0.2 . 1 . . . . 265 MET CG . 7053 1 707 . 1 1 64 64 MET CE C 13 18.4 0.2 . 1 . . . . 265 MET CE . 7053 1 708 . 1 1 64 64 MET N N 15 122.0 0.2 . 1 . . . . 265 MET N . 7053 1 709 . 1 1 65 65 GLU H H 1 8.37 0.02 . 1 . . . . 266 GLU HN . 7053 1 710 . 1 1 65 65 GLU HA H 1 3.85 0.02 . 1 . . . . 266 GLU HA . 7053 1 711 . 1 1 65 65 GLU HB2 H 1 1.42 0.02 . 2 . . . . 266 GLU HB1 . 7053 1 712 . 1 1 65 65 GLU HB3 H 1 1.33 0.02 . 2 . . . . 266 GLU HB2 . 7053 1 713 . 1 1 65 65 GLU HG2 H 1 1.83 0.02 . 2 . . . . 266 GLU HG1 . 7053 1 714 . 1 1 65 65 GLU HG3 H 1 1.50 0.02 . 2 . . . . 266 GLU HG2 . 7053 1 715 . 1 1 65 65 GLU C C 13 177.8 0.2 . 1 . . . . 266 GLU C . 7053 1 716 . 1 1 65 65 GLU CA C 13 55.8 0.2 . 1 . . . . 266 GLU CA . 7053 1 717 . 1 1 65 65 GLU CB C 13 30.7 0.2 . 1 . . . . 266 GLU CB . 7053 1 718 . 1 1 65 65 GLU CG C 13 36.3 0.2 . 1 . . . . 266 GLU CG . 7053 1 719 . 1 1 65 65 GLU N N 15 125.7 0.2 . 1 . . . . 266 GLU N . 7053 1 720 . 1 1 66 66 ILE H H 1 7.95 0.02 . 1 . . . . 267 ILE HN . 7053 1 721 . 1 1 66 66 ILE HA H 1 5.44 0.02 . 1 . . . . 267 ILE HA . 7053 1 722 . 1 1 66 66 ILE HB H 1 1.87 0.02 . 1 . . . . 267 ILE HB . 7053 1 723 . 1 1 66 66 ILE HG12 H 1 1.05 0.02 . 2 . . . . 267 ILE HG12 . 7053 1 724 . 1 1 66 66 ILE HG13 H 1 0.95 0.02 . 2 . . . . 267 ILE HG13 . 7053 1 725 . 1 1 66 66 ILE HG21 H 1 0.63 0.02 . 1 . . . . 267 ILE HG2 . 7053 1 726 . 1 1 66 66 ILE HG22 H 1 0.63 0.02 . 1 . . . . 267 ILE HG2 . 7053 1 727 . 1 1 66 66 ILE HG23 H 1 0.63 0.02 . 1 . . . . 267 ILE HG2 . 7053 1 728 . 1 1 66 66 ILE HD11 H 1 -0.05 0.02 . 1 . . . . 267 ILE HD1 . 7053 1 729 . 1 1 66 66 ILE HD12 H 1 -0.05 0.02 . 1 . . . . 267 ILE HD1 . 7053 1 730 . 1 1 66 66 ILE HD13 H 1 -0.05 0.02 . 1 . . . . 267 ILE HD1 . 7053 1 731 . 1 1 66 66 ILE C C 13 177.0 0.2 . 1 . . . . 267 ILE C . 7053 1 732 . 1 1 66 66 ILE CA C 13 59.4 0.2 . 1 . . . . 267 ILE CA . 7053 1 733 . 1 1 66 66 ILE CB C 13 41.7 0.2 . 1 . . . . 267 ILE CB . 7053 1 734 . 1 1 66 66 ILE CG1 C 13 25.2 0.2 . 1 . . . . 267 ILE CG1 . 7053 1 735 . 1 1 66 66 ILE CG2 C 13 20.4 0.2 . 1 . . . . 267 ILE CG2 . 7053 1 736 . 1 1 66 66 ILE CD1 C 13 14.6 0.2 . 1 . . . . 267 ILE CD1 . 7053 1 737 . 1 1 66 66 ILE N N 15 117.3 0.2 . 1 . . . . 267 ILE N . 7053 1 738 . 1 1 67 67 LYS H H 1 7.92 0.02 . 1 . . . . 268 LYS HN . 7053 1 739 . 1 1 67 67 LYS HA H 1 4.67 0.02 . 1 . . . . 268 LYS HA . 7053 1 740 . 1 1 67 67 LYS HB2 H 1 1.85 0.02 . 2 . . . . 268 LYS HB1 . 7053 1 741 . 1 1 67 67 LYS HB3 H 1 1.77 0.02 . 2 . . . . 268 LYS HB2 . 7053 1 742 . 1 1 67 67 LYS HD2 H 1 1.57 0.02 . 2 . . . . 268 LYS HD1 . 7053 1 743 . 1 1 67 67 LYS HD3 H 1 1.52 0.02 . 2 . . . . 268 LYS HD2 . 7053 1 744 . 1 1 67 67 LYS C C 13 175.6 0.2 . 1 . . . . 268 LYS C . 7053 1 745 . 1 1 67 67 LYS CA C 13 55.8 0.2 . 1 . . . . 268 LYS CA . 7053 1 746 . 1 1 67 67 LYS CB C 13 34.0 0.2 . 1 . . . . 268 LYS CB . 7053 1 747 . 1 1 67 67 LYS CG C 13 25.0 0.2 . 1 . . . . 268 LYS CG . 7053 1 748 . 1 1 67 67 LYS CD C 13 29.6 0.2 . 1 . . . . 268 LYS CD . 7053 1 749 . 1 1 67 67 LYS CE C 13 42.2 0.2 . 1 . . . . 268 LYS CE . 7053 1 750 . 1 1 67 67 LYS N N 15 121.5 0.2 . 1 . . . . 268 LYS N . 7053 1 751 . 1 1 68 68 VAL H H 1 8.90 0.02 . 1 . . . . 269 VAL HN . 7053 1 752 . 1 1 68 68 VAL HA H 1 3.94 0.02 . 1 . . . . 269 VAL HA . 7053 1 753 . 1 1 68 68 VAL HB H 1 2.15 0.02 . 1 . . . . 269 VAL HB . 7053 1 754 . 1 1 68 68 VAL HG11 H 1 0.79 0.02 . 2 . . . . 269 VAL HG1 . 7053 1 755 . 1 1 68 68 VAL HG12 H 1 0.79 0.02 . 2 . . . . 269 VAL HG1 . 7053 1 756 . 1 1 68 68 VAL HG13 H 1 0.79 0.02 . 2 . . . . 269 VAL HG1 . 7053 1 757 . 1 1 68 68 VAL HG21 H 1 1.24 0.02 . 2 . . . . 269 VAL HG2 . 7053 1 758 . 1 1 68 68 VAL HG22 H 1 1.24 0.02 . 2 . . . . 269 VAL HG2 . 7053 1 759 . 1 1 68 68 VAL HG23 H 1 1.24 0.02 . 2 . . . . 269 VAL HG2 . 7053 1 760 . 1 1 68 68 VAL C C 13 175.8 0.2 . 1 . . . . 269 VAL C . 7053 1 761 . 1 1 68 68 VAL CA C 13 65.5 0.2 . 1 . . . . 269 VAL CA . 7053 1 762 . 1 1 68 68 VAL CB C 13 31.8 0.2 . 1 . . . . 269 VAL CB . 7053 1 763 . 1 1 68 68 VAL CG1 C 13 23.6 0.2 . 1 . . . . 269 VAL CG1 . 7053 1 764 . 1 1 68 68 VAL CG2 C 13 22.4 0.2 . 1 . . . . 269 VAL CG2 . 7053 1 765 . 1 1 68 68 VAL N N 15 126.4 0.2 . 1 . . . . 269 VAL N . 7053 1 766 . 1 1 69 69 LEU H H 1 8.10 0.02 . 1 . . . . 270 LEU HN . 7053 1 767 . 1 1 69 69 LEU HA H 1 4.57 0.02 . 1 . . . . 270 LEU HA . 7053 1 768 . 1 1 69 69 LEU HB2 H 1 1.52 0.02 . 2 . . . . 270 LEU HB1 . 7053 1 769 . 1 1 69 69 LEU HB3 H 1 1.57 0.02 . 2 . . . . 270 LEU HB2 . 7053 1 770 . 1 1 69 69 LEU HG H 1 1.69 0.02 . 1 . . . . 270 LEU HG . 7053 1 771 . 1 1 69 69 LEU HD11 H 1 0.83 0.02 . 2 . . . . 270 LEU HD1 . 7053 1 772 . 1 1 69 69 LEU HD12 H 1 0.83 0.02 . 2 . . . . 270 LEU HD1 . 7053 1 773 . 1 1 69 69 LEU HD13 H 1 0.83 0.02 . 2 . . . . 270 LEU HD1 . 7053 1 774 . 1 1 69 69 LEU HD21 H 1 0.81 0.02 . 2 . . . . 270 LEU HD2 . 7053 1 775 . 1 1 69 69 LEU HD22 H 1 0.81 0.02 . 2 . . . . 270 LEU HD2 . 7053 1 776 . 1 1 69 69 LEU HD23 H 1 0.81 0.02 . 2 . . . . 270 LEU HD2 . 7053 1 777 . 1 1 69 69 LEU C C 13 176.3 0.2 . 1 . . . . 270 LEU C . 7053 1 778 . 1 1 69 69 LEU CA C 13 54.8 0.2 . 1 . . . . 270 LEU CA . 7053 1 779 . 1 1 69 69 LEU CB C 13 43.3 0.2 . 1 . . . . 270 LEU CB . 7053 1 780 . 1 1 69 69 LEU CG C 13 27.1 0.2 . 1 . . . . 270 LEU CG . 7053 1 781 . 1 1 69 69 LEU CD1 C 13 26.6 0.2 . 1 . . . . 270 LEU CD1 . 7053 1 782 . 1 1 69 69 LEU CD2 C 13 22.3 0.2 . 1 . . . . 270 LEU CD2 . 7053 1 783 . 1 1 69 69 LEU N N 15 129.2 0.2 . 1 . . . . 270 LEU N . 7053 1 784 . 1 1 70 70 GLY H H 1 8.16 0.02 . 1 . . . . 271 GLY HN . 7053 1 785 . 1 1 70 70 GLY HA2 H 1 4.12 0.02 . 1 . . . . 271 GLY HA1 . 7053 1 786 . 1 1 70 70 GLY HA3 H 1 4.12 0.02 . 1 . . . . 271 GLY HA2 . 7053 1 787 . 1 1 70 70 GLY CA C 13 45.0 0.2 . 1 . . . . 271 GLY CA . 7053 1 788 . 1 1 70 70 GLY N N 15 109.9 0.2 . 1 . . . . 271 GLY N . 7053 1 789 . 1 1 71 71 PRO HA H 1 4.01 0.02 . 1 . . . . 272 PRO HA . 7053 1 790 . 1 1 71 71 PRO HB2 H 1 1.99 0.02 . 2 . . . . 272 PRO HB1 . 7053 1 791 . 1 1 71 71 PRO HB3 H 1 1.12 0.02 . 2 . . . . 272 PRO HB2 . 7053 1 792 . 1 1 71 71 PRO HG2 H 1 1.86 0.02 . 1 . . . . 272 PRO HG1 . 7053 1 793 . 1 1 71 71 PRO HG3 H 1 1.86 0.02 . 1 . . . . 272 PRO HG2 . 7053 1 794 . 1 1 71 71 PRO HD2 H 1 3.67 0.02 . 2 . . . . 272 PRO HD1 . 7053 1 795 . 1 1 71 71 PRO HD3 H 1 3.52 0.02 . 2 . . . . 272 PRO HD2 . 7053 1 796 . 1 1 71 71 PRO CA C 13 64.2 0.2 . 1 . . . . 272 PRO CA . 7053 1 797 . 1 1 71 71 PRO CB C 13 31.6 0.2 . 1 . . . . 272 PRO CB . 7053 1 798 . 1 1 71 71 PRO CG C 13 27.0 0.2 . 1 . . . . 272 PRO CG . 7053 1 799 . 1 1 71 71 PRO CD C 13 50.9 0.2 . 1 . . . . 272 PRO CD . 7053 1 800 . 1 1 72 72 TYR H H 1 8.28 0.02 . 1 . . . . 273 TYR HN . 7053 1 801 . 1 1 72 72 TYR HA H 1 5.07 0.02 . 1 . . . . 273 TYR HA . 7053 1 802 . 1 1 72 72 TYR HB2 H 1 3.25 0.02 . 2 . . . . 273 TYR HB1 . 7053 1 803 . 1 1 72 72 TYR HB3 H 1 2.96 0.02 . 2 . . . . 273 TYR HB2 . 7053 1 804 . 1 1 72 72 TYR HD1 H 1 7.04 0.02 . 1 . . . . 273 TYR HD1 . 7053 1 805 . 1 1 72 72 TYR HD2 H 1 7.04 0.02 . 1 . . . . 273 TYR HD2 . 7053 1 806 . 1 1 72 72 TYR HE1 H 1 6.67 0.02 . 1 . . . . 273 TYR HE1 . 7053 1 807 . 1 1 72 72 TYR HE2 H 1 6.67 0.02 . 1 . . . . 273 TYR HE2 . 7053 1 808 . 1 1 72 72 TYR C C 13 175.7 0.2 . 1 . . . . 273 TYR C . 7053 1 809 . 1 1 72 72 TYR CA C 13 56.5 0.2 . 1 . . . . 273 TYR CA . 7053 1 810 . 1 1 72 72 TYR CB C 13 39.9 0.2 . 1 . . . . 273 TYR CB . 7053 1 811 . 1 1 72 72 TYR CD1 C 13 134.0 0.2 . 1 . . . . 273 TYR CD1 . 7053 1 812 . 1 1 72 72 TYR CE1 C 13 118.2 0.2 . 1 . . . . 273 TYR CE1 . 7053 1 813 . 1 1 72 72 TYR N N 15 110.2 0.2 . 1 . . . . 273 TYR N . 7053 1 814 . 1 1 73 73 THR H H 1 7.32 0.02 . 1 . . . . 274 THR HN . 7053 1 815 . 1 1 73 73 THR HA H 1 5.99 0.02 . 1 . . . . 274 THR HA . 7053 1 816 . 1 1 73 73 THR HB H 1 3.79 0.02 . 1 . . . . 274 THR HB . 7053 1 817 . 1 1 73 73 THR HG21 H 1 1.20 0.02 . 1 . . . . 274 THR HG2 . 7053 1 818 . 1 1 73 73 THR HG22 H 1 1.20 0.02 . 1 . . . . 274 THR HG2 . 7053 1 819 . 1 1 73 73 THR HG23 H 1 1.20 0.02 . 1 . . . . 274 THR HG2 . 7053 1 820 . 1 1 73 73 THR C C 13 175.4 0.2 . 1 . . . . 274 THR C . 7053 1 821 . 1 1 73 73 THR CA C 13 59.5 0.2 . 1 . . . . 274 THR CA . 7053 1 822 . 1 1 73 73 THR CB C 13 73.4 0.2 . 1 . . . . 274 THR CB . 7053 1 823 . 1 1 73 73 THR CG2 C 13 23.4 0.2 . 1 . . . . 274 THR CG2 . 7053 1 824 . 1 1 73 73 THR N N 15 109.8 0.2 . 1 . . . . 274 THR N . 7053 1 825 . 1 1 74 74 PHE H H 1 8.45 0.02 . 1 . . . . 275 PHE HN . 7053 1 826 . 1 1 74 74 PHE HA H 1 5.23 0.02 . 1 . . . . 275 PHE HA . 7053 1 827 . 1 1 74 74 PHE HB2 H 1 2.96 0.02 . 2 . . . . 275 PHE HB1 . 7053 1 828 . 1 1 74 74 PHE HB3 H 1 3.15 0.02 . 2 . . . . 275 PHE HB2 . 7053 1 829 . 1 1 74 74 PHE HD1 H 1 6.52 0.02 . 1 . . . . 275 PHE HD1 . 7053 1 830 . 1 1 74 74 PHE HD2 H 1 6.52 0.02 . 1 . . . . 275 PHE HD2 . 7053 1 831 . 1 1 74 74 PHE HE1 H 1 6.85 0.02 . 1 . . . . 275 PHE HE1 . 7053 1 832 . 1 1 74 74 PHE HE2 H 1 6.85 0.02 . 1 . . . . 275 PHE HE2 . 7053 1 833 . 1 1 74 74 PHE HZ H 1 6.74 0.02 . 1 . . . . 275 PHE HZ . 7053 1 834 . 1 1 74 74 PHE C C 13 171.6 0.2 . 1 . . . . 275 PHE C . 7053 1 835 . 1 1 74 74 PHE CA C 13 56.6 0.2 . 1 . . . . 275 PHE CA . 7053 1 836 . 1 1 74 74 PHE CB C 13 41.4 0.2 . 1 . . . . 275 PHE CB . 7053 1 837 . 1 1 74 74 PHE CD1 C 13 133.0 0.2 . 1 . . . . 275 PHE CD1 . 7053 1 838 . 1 1 74 74 PHE CE1 C 13 127.3 0.2 . 1 . . . . 275 PHE CE1 . 7053 1 839 . 1 1 74 74 PHE CZ C 13 130.5 0.2 . 1 . . . . 275 PHE CZ . 7053 1 840 . 1 1 74 74 PHE N N 15 117.6 0.2 . 1 . . . . 275 PHE N . 7053 1 841 . 1 1 75 75 SER H H 1 10.23 0.02 . 1 . . . . 276 SER HN . 7053 1 842 . 1 1 75 75 SER HA H 1 5.75 0.02 . 1 . . . . 276 SER HA . 7053 1 843 . 1 1 75 75 SER HB2 H 1 3.64 0.02 . 2 . . . . 276 SER HB1 . 7053 1 844 . 1 1 75 75 SER HB3 H 1 4.08 0.02 . 2 . . . . 276 SER HB2 . 7053 1 845 . 1 1 75 75 SER C C 13 175.0 0.2 . 1 . . . . 276 SER C . 7053 1 846 . 1 1 75 75 SER CA C 13 56.4 0.2 . 1 . . . . 276 SER CA . 7053 1 847 . 1 1 75 75 SER CB C 13 66.7 0.2 . 1 . . . . 276 SER CB . 7053 1 848 . 1 1 75 75 SER N N 15 117.0 0.2 . 1 . . . . 276 SER N . 7053 1 849 . 1 1 76 76 ILE H H 1 8.37 0.02 . 1 . . . . 277 ILE HN . 7053 1 850 . 1 1 76 76 ILE HA H 1 4.88 0.02 . 1 . . . . 277 ILE HA . 7053 1 851 . 1 1 76 76 ILE HB H 1 2.52 0.02 . 1 . . . . 277 ILE HB . 7053 1 852 . 1 1 76 76 ILE HG12 H 1 1.88 0.02 . 1 . . . . 277 ILE HG12 . 7053 1 853 . 1 1 76 76 ILE HG13 H 1 1.88 0.02 . 1 . . . . 277 ILE HG13 . 7053 1 854 . 1 1 76 76 ILE HG21 H 1 1.23 0.02 . 1 . . . . 277 ILE HG2 . 7053 1 855 . 1 1 76 76 ILE HG22 H 1 1.23 0.02 . 1 . . . . 277 ILE HG2 . 7053 1 856 . 1 1 76 76 ILE HG23 H 1 1.23 0.02 . 1 . . . . 277 ILE HG2 . 7053 1 857 . 1 1 76 76 ILE HD11 H 1 0.86 0.02 . 1 . . . . 277 ILE HD1 . 7053 1 858 . 1 1 76 76 ILE HD12 H 1 0.86 0.02 . 1 . . . . 277 ILE HD1 . 7053 1 859 . 1 1 76 76 ILE HD13 H 1 0.86 0.02 . 1 . . . . 277 ILE HD1 . 7053 1 860 . 1 1 76 76 ILE C C 13 174.7 0.2 . 1 . . . . 277 ILE C . 7053 1 861 . 1 1 76 76 ILE CA C 13 59.9 0.2 . 1 . . . . 277 ILE CA . 7053 1 862 . 1 1 76 76 ILE CB C 13 39.4 0.2 . 1 . . . . 277 ILE CB . 7053 1 863 . 1 1 76 76 ILE CG1 C 13 26.1 0.2 . 1 . . . . 277 ILE CG1 . 7053 1 864 . 1 1 76 76 ILE CG2 C 13 20.5 0.2 . 1 . . . . 277 ILE CG2 . 7053 1 865 . 1 1 76 76 ILE CD1 C 13 15.1 0.2 . 1 . . . . 277 ILE CD1 . 7053 1 866 . 1 1 76 76 ILE N N 15 112.5 0.2 . 1 . . . . 277 ILE N . 7053 1 867 . 1 1 77 77 CYS H H 1 6.89 0.02 . 1 . . . . 278 CYS HN . 7053 1 868 . 1 1 77 77 CYS HA H 1 4.87 0.02 . 1 . . . . 278 CYS HA . 7053 1 869 . 1 1 77 77 CYS HB2 H 1 3.61 0.02 . 2 . . . . 278 CYS HB1 . 7053 1 870 . 1 1 77 77 CYS HB3 H 1 3.00 0.02 . 2 . . . . 278 CYS HB2 . 7053 1 871 . 1 1 77 77 CYS C C 13 172.7 0.2 . 1 . . . . 278 CYS C . 7053 1 872 . 1 1 77 77 CYS CA C 13 56.1 0.2 . 1 . . . . 278 CYS CA . 7053 1 873 . 1 1 77 77 CYS CB C 13 31.0 0.2 . 1 . . . . 278 CYS CB . 7053 1 874 . 1 1 77 77 CYS N N 15 117.2 0.2 . 1 . . . . 278 CYS N . 7053 1 875 . 1 1 78 78 ASP H H 1 8.39 0.02 . 1 . . . . 279 ASP HN . 7053 1 876 . 1 1 78 78 ASP HA H 1 4.68 0.02 . 1 . . . . 279 ASP HA . 7053 1 877 . 1 1 78 78 ASP HB2 H 1 2.67 0.02 . 1 . . . . 279 ASP HB1 . 7053 1 878 . 1 1 78 78 ASP HB3 H 1 2.67 0.02 . 1 . . . . 279 ASP HB2 . 7053 1 879 . 1 1 78 78 ASP C C 13 177.2 0.2 . 1 . . . . 279 ASP C . 7053 1 880 . 1 1 78 78 ASP CA C 13 55.7 0.2 . 1 . . . . 279 ASP CA . 7053 1 881 . 1 1 78 78 ASP CB C 13 40.0 0.2 . 1 . . . . 279 ASP CB . 7053 1 882 . 1 1 78 78 ASP N N 15 117.3 0.2 . 1 . . . . 279 ASP N . 7053 1 883 . 1 1 79 79 THR H H 1 8.85 0.02 . 1 . . . . 280 THR HN . 7053 1 884 . 1 1 79 79 THR HA H 1 3.27 0.02 . 1 . . . . 280 THR HA . 7053 1 885 . 1 1 79 79 THR HB H 1 4.67 0.02 . 1 . . . . 280 THR HB . 7053 1 886 . 1 1 79 79 THR HG21 H 1 1.11 0.02 . 1 . . . . 280 THR HG2 . 7053 1 887 . 1 1 79 79 THR HG22 H 1 1.11 0.02 . 1 . . . . 280 THR HG2 . 7053 1 888 . 1 1 79 79 THR HG23 H 1 1.11 0.02 . 1 . . . . 280 THR HG2 . 7053 1 889 . 1 1 79 79 THR C C 13 176.4 0.2 . 1 . . . . 280 THR C . 7053 1 890 . 1 1 79 79 THR CA C 13 60.3 0.2 . 1 . . . . 280 THR CA . 7053 1 891 . 1 1 79 79 THR CB C 13 68.6 0.2 . 1 . . . . 280 THR CB . 7053 1 892 . 1 1 79 79 THR CG2 C 13 23.4 0.2 . 1 . . . . 280 THR CG2 . 7053 1 893 . 1 1 79 79 THR N N 15 121.6 0.2 . 1 . . . . 280 THR N . 7053 1 894 . 1 1 80 80 SER H H 1 8.30 0.02 . 1 . . . . 281 SER HN . 7053 1 895 . 1 1 80 80 SER HA H 1 4.29 0.02 . 1 . . . . 281 SER HA . 7053 1 896 . 1 1 80 80 SER HB2 H 1 3.41 0.02 . 1 . . . . 281 SER HB1 . 7053 1 897 . 1 1 80 80 SER HB3 H 1 3.41 0.02 . 1 . . . . 281 SER HB2 . 7053 1 898 . 1 1 80 80 SER C C 13 174.3 0.2 . 1 . . . . 281 SER C . 7053 1 899 . 1 1 80 80 SER CA C 13 62.9 0.2 . 1 . . . . 281 SER CA . 7053 1 900 . 1 1 80 80 SER CB C 13 63.0 0.2 . 1 . . . . 281 SER CB . 7053 1 901 . 1 1 80 80 SER N N 15 118.4 0.2 . 1 . . . . 281 SER N . 7053 1 902 . 1 1 81 81 ASN H H 1 8.18 0.02 . 1 . . . . 282 ASN HN . 7053 1 903 . 1 1 81 81 ASN HA H 1 5.02 0.02 . 1 . . . . 282 ASN HA . 7053 1 904 . 1 1 81 81 ASN HB2 H 1 2.89 0.02 . 2 . . . . 282 ASN HB1 . 7053 1 905 . 1 1 81 81 ASN HB3 H 1 2.46 0.02 . 2 . . . . 282 ASN HB2 . 7053 1 906 . 1 1 81 81 ASN HD21 H 1 7.41 0.02 . 2 . . . . 282 ASN HD21 . 7053 1 907 . 1 1 81 81 ASN HD22 H 1 6.79 0.02 . 2 . . . . 282 ASN HD22 . 7053 1 908 . 1 1 81 81 ASN C C 13 175.7 0.2 . 1 . . . . 282 ASN C . 7053 1 909 . 1 1 81 81 ASN CA C 13 52.3 0.2 . 1 . . . . 282 ASN CA . 7053 1 910 . 1 1 81 81 ASN CB C 13 39.1 0.2 . 1 . . . . 282 ASN CB . 7053 1 911 . 1 1 81 81 ASN N N 15 116.4 0.2 . 1 . . . . 282 ASN N . 7053 1 912 . 1 1 81 81 ASN ND2 N 15 113.5 0.2 . 1 . . . . 282 ASN ND2 . 7053 1 913 . 1 1 82 82 PHE H H 1 7.60 0.02 . 1 . . . . 283 PHE HN . 7053 1 914 . 1 1 82 82 PHE HA H 1 4.76 0.02 . 1 . . . . 283 PHE HA . 7053 1 915 . 1 1 82 82 PHE HB2 H 1 3.42 0.02 . 1 . . . . 283 PHE HB1 . 7053 1 916 . 1 1 82 82 PHE HB3 H 1 3.42 0.02 . 1 . . . . 283 PHE HB2 . 7053 1 917 . 1 1 82 82 PHE HD1 H 1 7.09 0.02 . 1 . . . . 283 PHE HD1 . 7053 1 918 . 1 1 82 82 PHE HD2 H 1 7.09 0.02 . 1 . . . . 283 PHE HD2 . 7053 1 919 . 1 1 82 82 PHE C C 13 174.8 0.2 . 1 . . . . 283 PHE C . 7053 1 920 . 1 1 82 82 PHE CA C 13 53.0 0.2 . 1 . . . . 283 PHE CA . 7053 1 921 . 1 1 82 82 PHE CB C 13 37.8 0.2 . 1 . . . . 283 PHE CB . 7053 1 922 . 1 1 82 82 PHE CD1 C 13 129.8 0.2 . 1 . . . . 283 PHE CD1 . 7053 1 923 . 1 1 82 82 PHE N N 15 121.2 0.2 . 1 . . . . 283 PHE N . 7053 1 924 . 1 1 83 83 SER H H 1 8.08 0.02 . 1 . . . . 284 SER HN . 7053 1 925 . 1 1 83 83 SER HA H 1 4.54 0.02 . 1 . . . . 284 SER HA . 7053 1 926 . 1 1 83 83 SER HB2 H 1 4.12 0.02 . 2 . . . . 284 SER HB1 . 7053 1 927 . 1 1 83 83 SER HB3 H 1 3.99 0.02 . 2 . . . . 284 SER HB2 . 7053 1 928 . 1 1 83 83 SER C C 13 172.2 0.2 . 1 . . . . 284 SER C . 7053 1 929 . 1 1 83 83 SER CA C 13 59.2 0.2 . 1 . . . . 284 SER CA . 7053 1 930 . 1 1 83 83 SER CB C 13 63.8 0.2 . 1 . . . . 284 SER CB . 7053 1 931 . 1 1 83 83 SER N N 15 115.4 0.2 . 1 . . . . 284 SER N . 7053 1 932 . 1 1 84 84 ASP H H 1 7.91 0.02 . 1 . . . . 285 ASP HN . 7053 1 933 . 1 1 84 84 ASP HA H 1 4.13 0.02 . 1 . . . . 285 ASP HA . 7053 1 934 . 1 1 84 84 ASP HB2 H 1 2.48 0.02 . 2 . . . . 285 ASP HB1 . 7053 1 935 . 1 1 84 84 ASP HB3 H 1 2.40 0.02 . 2 . . . . 285 ASP HB2 . 7053 1 936 . 1 1 84 84 ASP C C 13 176.1 0.2 . 1 . . . . 285 ASP C . 7053 1 937 . 1 1 84 84 ASP CA C 13 55.7 0.2 . 1 . . . . 285 ASP CA . 7053 1 938 . 1 1 84 84 ASP CB C 13 40.7 0.2 . 1 . . . . 285 ASP CB . 7053 1 939 . 1 1 84 84 ASP N N 15 117.5 0.2 . 1 . . . . 285 ASP N . 7053 1 940 . 1 1 85 85 TYR H H 1 9.20 0.02 . 1 . . . . 286 TYR HN . 7053 1 941 . 1 1 85 85 TYR HA H 1 3.87 0.02 . 1 . . . . 286 TYR HA . 7053 1 942 . 1 1 85 85 TYR HB2 H 1 3.14 0.02 . 1 . . . . 286 TYR HB1 . 7053 1 943 . 1 1 85 85 TYR HB3 H 1 3.14 0.02 . 1 . . . . 286 TYR HB2 . 7053 1 944 . 1 1 85 85 TYR HD1 H 1 6.86 0.02 . 1 . . . . 286 TYR HD1 . 7053 1 945 . 1 1 85 85 TYR HD2 H 1 6.86 0.02 . 1 . . . . 286 TYR HD2 . 7053 1 946 . 1 1 85 85 TYR HE1 H 1 6.99 0.02 . 1 . . . . 286 TYR HE1 . 7053 1 947 . 1 1 85 85 TYR HE2 H 1 6.99 0.02 . 1 . . . . 286 TYR HE2 . 7053 1 948 . 1 1 85 85 TYR C C 13 175.1 0.2 . 1 . . . . 286 TYR C . 7053 1 949 . 1 1 85 85 TYR CA C 13 61.2 0.2 . 1 . . . . 286 TYR CA . 7053 1 950 . 1 1 85 85 TYR CB C 13 39.9 0.2 . 1 . . . . 286 TYR CB . 7053 1 951 . 1 1 85 85 TYR N N 15 121.7 0.2 . 1 . . . . 286 TYR N . 7053 1 952 . 1 1 86 86 ILE H H 1 7.18 0.02 . 1 . . . . 287 ILE HN . 7053 1 953 . 1 1 86 86 ILE HA H 1 4.04 0.02 . 1 . . . . 287 ILE HA . 7053 1 954 . 1 1 86 86 ILE HB H 1 0.82 0.02 . 1 . . . . 287 ILE HB . 7053 1 955 . 1 1 86 86 ILE HG12 H 1 1.44 0.02 . 1 . . . . 287 ILE HG12 . 7053 1 956 . 1 1 86 86 ILE HG13 H 1 1.44 0.02 . 1 . . . . 287 ILE HG13 . 7053 1 957 . 1 1 86 86 ILE HG21 H 1 0.74 0.02 . 1 . . . . 287 ILE HG2 . 7053 1 958 . 1 1 86 86 ILE HG22 H 1 0.74 0.02 . 1 . . . . 287 ILE HG2 . 7053 1 959 . 1 1 86 86 ILE HG23 H 1 0.74 0.02 . 1 . . . . 287 ILE HG2 . 7053 1 960 . 1 1 86 86 ILE HD11 H 1 0.77 0.02 . 1 . . . . 287 ILE HD1 . 7053 1 961 . 1 1 86 86 ILE HD12 H 1 0.77 0.02 . 1 . . . . 287 ILE HD1 . 7053 1 962 . 1 1 86 86 ILE HD13 H 1 0.77 0.02 . 1 . . . . 287 ILE HD1 . 7053 1 963 . 1 1 86 86 ILE C C 13 173.8 0.2 . 1 . . . . 287 ILE C . 7053 1 964 . 1 1 86 86 ILE CA C 13 63.1 0.2 . 1 . . . . 287 ILE CA . 7053 1 965 . 1 1 86 86 ILE CB C 13 41.0 0.2 . 1 . . . . 287 ILE CB . 7053 1 966 . 1 1 86 86 ILE CG1 C 13 27.5 0.2 . 1 . . . . 287 ILE CG1 . 7053 1 967 . 1 1 86 86 ILE CG2 C 13 16.6 0.2 . 1 . . . . 287 ILE CG2 . 7053 1 968 . 1 1 86 86 ILE CD1 C 13 13.1 0.2 . 1 . . . . 287 ILE CD1 . 7053 1 969 . 1 1 86 86 ILE N N 15 126.1 0.2 . 1 . . . . 287 ILE N . 7053 1 970 . 1 1 87 87 ARG H H 1 6.31 0.02 . 1 . . . . 288 ARG HN . 7053 1 971 . 1 1 87 87 ARG HA H 1 4.51 0.02 . 1 . . . . 288 ARG HA . 7053 1 972 . 1 1 87 87 ARG HB2 H 1 2.11 0.02 . 2 . . . . 288 ARG HB1 . 7053 1 973 . 1 1 87 87 ARG HB3 H 1 1.72 0.02 . 2 . . . . 288 ARG HB2 . 7053 1 974 . 1 1 87 87 ARG HG2 H 1 1.16 0.02 . 1 . . . . 288 ARG HG1 . 7053 1 975 . 1 1 87 87 ARG HG3 H 1 1.16 0.02 . 1 . . . . 288 ARG HG2 . 7053 1 976 . 1 1 87 87 ARG HD2 H 1 3.19 0.02 . 2 . . . . 288 ARG HD1 . 7053 1 977 . 1 1 87 87 ARG HD3 H 1 3.06 0.02 . 2 . . . . 288 ARG HD2 . 7053 1 978 . 1 1 87 87 ARG C C 13 173.8 0.2 . 1 . . . . 288 ARG C . 7053 1 979 . 1 1 87 87 ARG CA C 13 56.0 0.2 . 1 . . . . 288 ARG CA . 7053 1 980 . 1 1 87 87 ARG CB C 13 31.0 0.2 . 1 . . . . 288 ARG CB . 7053 1 981 . 1 1 87 87 ARG CG C 13 25.4 0.2 . 1 . . . . 288 ARG CG . 7053 1 982 . 1 1 87 87 ARG CD C 13 43.0 0.2 . 1 . . . . 288 ARG CD . 7053 1 983 . 1 1 87 87 ARG N N 15 111.2 0.2 . 1 . . . . 288 ARG N . 7053 1 984 . 1 1 88 88 GLY H H 1 8.54 0.02 . 1 . . . . 289 GLY HN . 7053 1 985 . 1 1 88 88 GLY HA2 H 1 4.30 0.02 . 2 . . . . 289 GLY HA1 . 7053 1 986 . 1 1 88 88 GLY HA3 H 1 4.11 0.02 . 2 . . . . 289 GLY HA2 . 7053 1 987 . 1 1 88 88 GLY C C 13 174.0 0.2 . 1 . . . . 289 GLY C . 7053 1 988 . 1 1 88 88 GLY CA C 13 44.9 0.2 . 1 . . . . 289 GLY CA . 7053 1 989 . 1 1 88 88 GLY N N 15 105.1 0.2 . 1 . . . . 289 GLY N . 7053 1 990 . 1 1 89 89 GLY H H 1 8.17 0.02 . 1 . . . . 290 GLY HN . 7053 1 991 . 1 1 89 89 GLY HA2 H 1 4.68 0.02 . 2 . . . . 290 GLY HA1 . 7053 1 992 . 1 1 89 89 GLY HA3 H 1 4.12 0.02 . 2 . . . . 290 GLY HA2 . 7053 1 993 . 1 1 89 89 GLY C C 13 173.4 0.2 . 1 . . . . 290 GLY C . 7053 1 994 . 1 1 89 89 GLY CA C 13 44.6 0.2 . 1 . . . . 290 GLY CA . 7053 1 995 . 1 1 89 89 GLY N N 15 105.8 0.2 . 1 . . . . 290 GLY N . 7053 1 996 . 1 1 90 90 ILE H H 1 9.40 0.02 . 1 . . . . 291 ILE HN . 7053 1 997 . 1 1 90 90 ILE HA H 1 4.93 0.02 . 1 . . . . 291 ILE HA . 7053 1 998 . 1 1 90 90 ILE HB H 1 1.76 0.02 . 1 . . . . 291 ILE HB . 7053 1 999 . 1 1 90 90 ILE HG12 H 1 1.53 0.02 . 1 . . . . 291 ILE HG12 . 7053 1 1000 . 1 1 90 90 ILE HG13 H 1 1.53 0.02 . 1 . . . . 291 ILE HG13 . 7053 1 1001 . 1 1 90 90 ILE HG21 H 1 0.85 0.02 . 1 . . . . 291 ILE HG2 . 7053 1 1002 . 1 1 90 90 ILE HG22 H 1 0.85 0.02 . 1 . . . . 291 ILE HG2 . 7053 1 1003 . 1 1 90 90 ILE HG23 H 1 0.85 0.02 . 1 . . . . 291 ILE HG2 . 7053 1 1004 . 1 1 90 90 ILE HD11 H 1 0.82 0.02 . 1 . . . . 291 ILE HD1 . 7053 1 1005 . 1 1 90 90 ILE HD12 H 1 0.82 0.02 . 1 . . . . 291 ILE HD1 . 7053 1 1006 . 1 1 90 90 ILE HD13 H 1 0.82 0.02 . 1 . . . . 291 ILE HD1 . 7053 1 1007 . 1 1 90 90 ILE C C 13 175.4 0.2 . 1 . . . . 291 ILE C . 7053 1 1008 . 1 1 90 90 ILE CA C 13 60.5 0.2 . 1 . . . . 291 ILE CA . 7053 1 1009 . 1 1 90 90 ILE CB C 13 41.0 0.2 . 1 . . . . 291 ILE CB . 7053 1 1010 . 1 1 90 90 ILE CG1 C 13 27.7 0.2 . 1 . . . . 291 ILE CG1 . 7053 1 1011 . 1 1 90 90 ILE CG2 C 13 17.2 0.2 . 1 . . . . 291 ILE CG2 . 7053 1 1012 . 1 1 90 90 ILE CD1 C 13 13.4 0.2 . 1 . . . . 291 ILE CD1 . 7053 1 1013 . 1 1 90 90 ILE N N 15 126.3 0.2 . 1 . . . . 291 ILE N . 7053 1 1014 . 1 1 91 91 VAL H H 1 9.43 0.02 . 1 . . . . 292 VAL HN . 7053 1 1015 . 1 1 91 91 VAL HA H 1 4.96 0.02 . 1 . . . . 292 VAL HA . 7053 1 1016 . 1 1 91 91 VAL HB H 1 1.62 0.02 . 1 . . . . 292 VAL HB . 7053 1 1017 . 1 1 91 91 VAL HG11 H 1 1.11 0.02 . 2 . . . . 292 VAL HG1 . 7053 1 1018 . 1 1 91 91 VAL HG12 H 1 1.11 0.02 . 2 . . . . 292 VAL HG1 . 7053 1 1019 . 1 1 91 91 VAL HG13 H 1 1.11 0.02 . 2 . . . . 292 VAL HG1 . 7053 1 1020 . 1 1 91 91 VAL HG21 H 1 0.34 0.02 . 2 . . . . 292 VAL HG2 . 7053 1 1021 . 1 1 91 91 VAL HG22 H 1 0.34 0.02 . 2 . . . . 292 VAL HG2 . 7053 1 1022 . 1 1 91 91 VAL HG23 H 1 0.34 0.02 . 2 . . . . 292 VAL HG2 . 7053 1 1023 . 1 1 91 91 VAL C C 13 173.1 0.2 . 1 . . . . 292 VAL C . 7053 1 1024 . 1 1 91 91 VAL CA C 13 57.8 0.2 . 1 . . . . 292 VAL CA . 7053 1 1025 . 1 1 91 91 VAL CB C 13 34.4 0.2 . 1 . . . . 292 VAL CB . 7053 1 1026 . 1 1 91 91 VAL CG1 C 13 19.3 0.2 . 1 . . . . 292 VAL CG1 . 7053 1 1027 . 1 1 91 91 VAL CG2 C 13 22.3 0.2 . 1 . . . . 292 VAL CG2 . 7053 1 1028 . 1 1 91 91 VAL N N 15 127.9 0.2 . 1 . . . . 292 VAL N . 7053 1 1029 . 1 1 92 92 SER H H 1 8.62 0.02 . 1 . . . . 293 SER HN . 7053 1 1030 . 1 1 92 92 SER HA H 1 5.38 0.02 . 1 . . . . 293 SER HA . 7053 1 1031 . 1 1 92 92 SER HB2 H 1 3.66 0.02 . 2 . . . . 293 SER HB1 . 7053 1 1032 . 1 1 92 92 SER HB3 H 1 3.40 0.02 . 2 . . . . 293 SER HB2 . 7053 1 1033 . 1 1 92 92 SER C C 13 173.3 0.2 . 1 . . . . 293 SER C . 7053 1 1034 . 1 1 92 92 SER CA C 13 56.7 0.2 . 1 . . . . 293 SER CA . 7053 1 1035 . 1 1 92 92 SER CB C 13 66.0 0.2 . 1 . . . . 293 SER CB . 7053 1 1036 . 1 1 92 92 SER N N 15 121.0 0.2 . 1 . . . . 293 SER N . 7053 1 1037 . 1 1 93 93 GLN H H 1 8.40 0.02 . 1 . . . . 294 GLN HN . 7053 1 1038 . 1 1 93 93 GLN HA H 1 4.25 0.02 . 1 . . . . 294 GLN HA . 7053 1 1039 . 1 1 93 93 GLN HB2 H 1 1.99 0.02 . 2 . . . . 294 GLN HB1 . 7053 1 1040 . 1 1 93 93 GLN HB3 H 1 1.89 0.02 . 2 . . . . 294 GLN HB2 . 7053 1 1041 . 1 1 93 93 GLN HG2 H 1 2.01 0.02 . 2 . . . . 294 GLN HG1 . 7053 1 1042 . 1 1 93 93 GLN HG3 H 1 1.75 0.02 . 2 . . . . 294 GLN HG2 . 7053 1 1043 . 1 1 93 93 GLN HE21 H 1 7.95 0.02 . 2 . . . . 294 GLN HE21 . 7053 1 1044 . 1 1 93 93 GLN HE22 H 1 6.80 0.02 . 2 . . . . 294 GLN HE22 . 7053 1 1045 . 1 1 93 93 GLN C C 13 175.6 0.2 . 1 . . . . 294 GLN C . 7053 1 1046 . 1 1 93 93 GLN CA C 13 56.2 0.2 . 1 . . . . 294 GLN CA . 7053 1 1047 . 1 1 93 93 GLN CB C 13 30.7 0.2 . 1 . . . . 294 GLN CB . 7053 1 1048 . 1 1 93 93 GLN CG C 13 34.3 0.2 . 1 . . . . 294 GLN CG . 7053 1 1049 . 1 1 93 93 GLN N N 15 122.5 0.2 . 1 . . . . 294 GLN N . 7053 1 1050 . 1 1 93 93 GLN NE2 N 15 114.7 0.2 . 1 . . . . 294 GLN NE2 . 7053 1 1051 . 1 1 94 94 VAL H H 1 8.58 0.02 . 1 . . . . 295 VAL HN . 7053 1 1052 . 1 1 94 94 VAL HA H 1 4.11 0.02 . 1 . . . . 295 VAL HA . 7053 1 1053 . 1 1 94 94 VAL HB H 1 1.70 0.02 . 1 . . . . 295 VAL HB . 7053 1 1054 . 1 1 94 94 VAL HG11 H 1 0.75 0.02 . 2 . . . . 295 VAL HG1 . 7053 1 1055 . 1 1 94 94 VAL HG12 H 1 0.75 0.02 . 2 . . . . 295 VAL HG1 . 7053 1 1056 . 1 1 94 94 VAL HG13 H 1 0.75 0.02 . 2 . . . . 295 VAL HG1 . 7053 1 1057 . 1 1 94 94 VAL HG21 H 1 0.73 0.02 . 2 . . . . 295 VAL HG2 . 7053 1 1058 . 1 1 94 94 VAL HG22 H 1 0.73 0.02 . 2 . . . . 295 VAL HG2 . 7053 1 1059 . 1 1 94 94 VAL HG23 H 1 0.73 0.02 . 2 . . . . 295 VAL HG2 . 7053 1 1060 . 1 1 94 94 VAL C C 13 175.5 0.2 . 1 . . . . 295 VAL C . 7053 1 1061 . 1 1 94 94 VAL CA C 13 61.4 0.2 . 1 . . . . 295 VAL CA . 7053 1 1062 . 1 1 94 94 VAL CB C 13 33.6 0.2 . 1 . . . . 295 VAL CB . 7053 1 1063 . 1 1 94 94 VAL CG1 C 13 21.0 0.2 . 1 . . . . 295 VAL CG1 . 7053 1 1064 . 1 1 94 94 VAL CG2 C 13 20.6 0.2 . 1 . . . . 295 VAL CG2 . 7053 1 1065 . 1 1 94 94 VAL N N 15 124.5 0.2 . 1 . . . . 295 VAL N . 7053 1 1066 . 1 1 95 95 LYS H H 1 8.51 0.02 . 1 . . . . 296 LYS HN . 7053 1 1067 . 1 1 95 95 LYS HA H 1 4.35 0.02 . 1 . . . . 296 LYS HA . 7053 1 1068 . 1 1 95 95 LYS HB2 H 1 1.67 0.02 . 1 . . . . 296 LYS HB1 . 7053 1 1069 . 1 1 95 95 LYS HB3 H 1 1.67 0.02 . 1 . . . . 296 LYS HB2 . 7053 1 1070 . 1 1 95 95 LYS HG2 H 1 1.38 0.02 . 1 . . . . 296 LYS HG2 . 7053 1 1071 . 1 1 95 95 LYS HG3 H 1 1.38 0.02 . 1 . . . . 296 LYS HG3 . 7053 1 1072 . 1 1 95 95 LYS HD2 H 1 1.57 0.02 . 1 . . . . 296 LYS HD2 . 7053 1 1073 . 1 1 95 95 LYS HD3 H 1 1.57 0.02 . 1 . . . . 296 LYS HD3 . 7053 1 1074 . 1 1 95 95 LYS C C 13 175.8 0.2 . 1 . . . . 296 LYS C . 7053 1 1075 . 1 1 95 95 LYS CA C 13 55.7 0.2 . 1 . . . . 296 LYS CA . 7053 1 1076 . 1 1 95 95 LYS CB C 13 32.3 0.2 . 1 . . . . 296 LYS CB . 7053 1 1077 . 1 1 95 95 LYS CG C 13 24.7 0.2 . 1 . . . . 296 LYS CG . 7053 1 1078 . 1 1 95 95 LYS CD C 13 28.9 0.2 . 1 . . . . 296 LYS CD . 7053 1 1079 . 1 1 95 95 LYS CE C 13 42.1 0.2 . 1 . . . . 296 LYS CE . 7053 1 1080 . 1 1 95 95 LYS N N 15 126.4 0.2 . 1 . . . . 296 LYS N . 7053 1 1081 . 1 1 96 96 VAL H H 1 8.04 0.02 . 1 . . . . 297 VAL HN . 7053 1 1082 . 1 1 96 96 VAL HA H 1 4.28 0.02 . 1 . . . . 297 VAL HA . 7053 1 1083 . 1 1 96 96 VAL HB H 1 1.81 0.02 . 1 . . . . 297 VAL HB . 7053 1 1084 . 1 1 96 96 VAL HG11 H 1 0.68 0.02 . 2 . . . . 297 VAL HG1 . 7053 1 1085 . 1 1 96 96 VAL HG12 H 1 0.68 0.02 . 2 . . . . 297 VAL HG1 . 7053 1 1086 . 1 1 96 96 VAL HG13 H 1 0.68 0.02 . 2 . . . . 297 VAL HG1 . 7053 1 1087 . 1 1 96 96 VAL HG21 H 1 0.67 0.02 . 2 . . . . 297 VAL HG2 . 7053 1 1088 . 1 1 96 96 VAL HG22 H 1 0.67 0.02 . 2 . . . . 297 VAL HG2 . 7053 1 1089 . 1 1 96 96 VAL HG23 H 1 0.67 0.02 . 2 . . . . 297 VAL HG2 . 7053 1 1090 . 1 1 96 96 VAL CA C 13 59.5 0.2 . 1 . . . . 297 VAL CA . 7053 1 1091 . 1 1 96 96 VAL CB C 13 32.6 0.2 . 1 . . . . 297 VAL CB . 7053 1 1092 . 1 1 96 96 VAL CG1 C 13 20.8 0.2 . 1 . . . . 297 VAL CG1 . 7053 1 1093 . 1 1 96 96 VAL CG2 C 13 20.8 0.2 . 1 . . . . 297 VAL CG2 . 7053 1 1094 . 1 1 96 96 VAL N N 15 123.1 0.2 . 1 . . . . 297 VAL N . 7053 1 1095 . 1 1 97 97 PRO HA H 1 4.31 0.02 . 1 . . . . 298 PRO HA . 7053 1 1096 . 1 1 97 97 PRO HB2 H 1 2.18 0.02 . 2 . . . . 298 PRO HB1 . 7053 1 1097 . 1 1 97 97 PRO HB3 H 1 1.80 0.02 . 2 . . . . 298 PRO HB2 . 7053 1 1098 . 1 1 97 97 PRO HG2 H 1 1.93 0.02 . 2 . . . . 298 PRO HG1 . 7053 1 1099 . 1 1 97 97 PRO HG3 H 1 1.85 0.02 . 2 . . . . 298 PRO HG2 . 7053 1 1100 . 1 1 97 97 PRO HD2 H 1 3.68 0.02 . 2 . . . . 298 PRO HD1 . 7053 1 1101 . 1 1 97 97 PRO HD3 H 1 3.50 0.02 . 2 . . . . 298 PRO HD2 . 7053 1 1102 . 1 1 97 97 PRO C C 13 176.6 0.2 . 1 . . . . 298 PRO C . 7053 1 1103 . 1 1 97 97 PRO CA C 13 63.1 0.2 . 1 . . . . 298 PRO CA . 7053 1 1104 . 1 1 97 97 PRO CB C 13 32.1 0.2 . 1 . . . . 298 PRO CB . 7053 1 1105 . 1 1 97 97 PRO CG C 13 27.4 0.2 . 1 . . . . 298 PRO CG . 7053 1 1106 . 1 1 97 97 PRO CD C 13 51.0 0.2 . 1 . . . . 298 PRO CD . 7053 1 1107 . 1 1 98 98 LYS H H 1 8.27 0.02 . 1 . . . . 299 LYS HN . 7053 1 1108 . 1 1 98 98 LYS CA C 13 56.3 0.2 . 1 . . . . 299 LYS CA . 7053 1 1109 . 1 1 98 98 LYS CB C 13 32.4 0.2 . 1 . . . . 299 LYS CB . 7053 1 1110 . 1 1 98 98 LYS N N 15 121.7 0.2 . 1 . . . . 299 LYS N . 7053 1 1111 . 1 1 99 99 LYS HA H 1 4.30 0.02 . 1 . . . . 300 LYS HA . 7053 1 1112 . 1 1 99 99 LYS HB2 H 1 1.73 0.02 . 1 . . . . 300 LYS HB1 . 7053 1 1113 . 1 1 99 99 LYS HB3 H 1 1.73 0.02 . 1 . . . . 300 LYS HB2 . 7053 1 1114 . 1 1 99 99 LYS C C 13 176.3 0.2 . 1 . . . . 300 LYS C . 7053 1 1115 . 1 1 99 99 LYS CA C 13 56.2 0.2 . 1 . . . . 300 LYS CA . 7053 1 1116 . 1 1 99 99 LYS CB C 13 33.2 0.2 . 1 . . . . 300 LYS CB . 7053 1 1117 . 1 1 99 99 LYS CG C 13 24.8 0.2 . 1 . . . . 300 LYS CG . 7053 1 1118 . 1 1 99 99 LYS CD C 13 29.2 0.2 . 1 . . . . 300 LYS CD . 7053 1 1119 . 1 1 99 99 LYS CE C 13 42.1 0.2 . 1 . . . . 300 LYS CE . 7053 1 1120 . 1 1 100 100 ILE H H 1 8.14 0.02 . 1 . . . . 301 ILE HN . 7053 1 1121 . 1 1 100 100 ILE HG21 H 1 0.77 0.02 . 1 . . . . 301 ILE HG2 . 7053 1 1122 . 1 1 100 100 ILE HG22 H 1 0.77 0.02 . 1 . . . . 301 ILE HG2 . 7053 1 1123 . 1 1 100 100 ILE HG23 H 1 0.77 0.02 . 1 . . . . 301 ILE HG2 . 7053 1 1124 . 1 1 100 100 ILE HD11 H 1 0.80 0.02 . 1 . . . . 301 ILE HD1 . 7053 1 1125 . 1 1 100 100 ILE HD12 H 1 0.80 0.02 . 1 . . . . 301 ILE HD1 . 7053 1 1126 . 1 1 100 100 ILE HD13 H 1 0.80 0.02 . 1 . . . . 301 ILE HD1 . 7053 1 1127 . 1 1 100 100 ILE CA C 13 60.9 0.2 . 1 . . . . 301 ILE CA . 7053 1 1128 . 1 1 100 100 ILE CB C 13 39.0 0.2 . 1 . . . . 301 ILE CB . 7053 1 1129 . 1 1 100 100 ILE CG2 C 13 17.6 0.2 . 1 . . . . 301 ILE CG2 . 7053 1 1130 . 1 1 100 100 ILE CD1 C 13 12.9 0.2 . 1 . . . . 301 ILE CD1 . 7053 1 1131 . 1 1 100 100 ILE N N 15 122.5 0.2 . 1 . . . . 301 ILE N . 7053 1 1132 . 1 1 101 101 SER C C 13 173.0 0.2 . 1 . . . . 302 SER C . 7053 1 1133 . 1 1 101 101 SER CA C 13 58.2 0.2 . 1 . . . . 302 SER CA . 7053 1 1134 . 1 1 101 101 SER CB C 13 64.0 0.2 . 1 . . . . 302 SER CB . 7053 1 1135 . 1 1 102 102 PHE H H 1 8.00 0.02 . 1 . . . . 303 PHE HN . 7053 1 1136 . 1 1 102 102 PHE CA C 13 52.7 0.2 . 1 . . . . 303 PHE CA . 7053 1 1137 . 1 1 102 102 PHE CB C 13 43.1 0.2 . 1 . . . . 303 PHE CB . 7053 1 1138 . 1 1 102 102 PHE N N 15 123.1 0.2 . 1 . . . . 303 PHE N . 7053 1 1139 . 1 1 103 103 LYS HA H 1 4.29 0.02 . 1 . . . . 304 LYS HA . 7053 1 1140 . 1 1 103 103 LYS C C 13 176.0 0.2 . 1 . . . . 304 LYS C . 7053 1 1141 . 1 1 103 103 LYS CA C 13 56.2 0.2 . 1 . . . . 304 LYS CA . 7053 1 1142 . 1 1 103 103 LYS CB C 13 33.3 0.2 . 1 . . . . 304 LYS CB . 7053 1 1143 . 1 1 103 103 LYS CG C 13 24.7 0.2 . 1 . . . . 304 LYS CG . 7053 1 1144 . 1 1 103 103 LYS CD C 13 29.1 0.2 . 1 . . . . 304 LYS CD . 7053 1 1145 . 1 1 103 103 LYS CE C 13 42.0 0.2 . 1 . . . . 304 LYS CE . 7053 1 1146 . 1 1 104 104 SER H H 1 8.17 0.02 . 1 . . . . 305 SER HN . 7053 1 1147 . 1 1 104 104 SER HA H 1 4.41 0.02 . 1 . . . . 305 SER HA . 7053 1 1148 . 1 1 104 104 SER HB2 H 1 3.82 0.02 . 1 . . . . 305 SER HB1 . 7053 1 1149 . 1 1 104 104 SER HB3 H 1 3.82 0.02 . 1 . . . . 305 SER HB2 . 7053 1 1150 . 1 1 104 104 SER C C 13 173.9 0.2 . 1 . . . . 305 SER C . 7053 1 1151 . 1 1 104 104 SER CA C 13 58.1 0.2 . 1 . . . . 305 SER CA . 7053 1 1152 . 1 1 104 104 SER CB C 13 63.9 0.2 . 1 . . . . 305 SER CB . 7053 1 1153 . 1 1 104 104 SER N N 15 117.1 0.2 . 1 . . . . 305 SER N . 7053 1 1154 . 1 1 105 105 LEU H H 1 8.22 0.02 . 1 . . . . 306 LEU HN . 7053 1 1155 . 1 1 105 105 LEU HA H 1 4.60 0.02 . 1 . . . . 306 LEU HA . 7053 1 1156 . 1 1 105 105 LEU CA C 13 53.2 0.2 . 1 . . . . 306 LEU CA . 7053 1 1157 . 1 1 105 105 LEU CB C 13 41.9 0.2 . 1 . . . . 306 LEU CB . 7053 1 1158 . 1 1 105 105 LEU N N 15 125.3 0.2 . 1 . . . . 306 LEU N . 7053 1 1159 . 1 1 106 106 PRO HA H 1 4.38 0.02 . 1 . . . . 307 PRO HA . 7053 1 1160 . 1 1 106 106 PRO HB2 H 1 2.28 0.02 . 2 . . . . 307 PRO HB1 . 7053 1 1161 . 1 1 106 106 PRO HB3 H 1 1.90 0.02 . 2 . . . . 307 PRO HB2 . 7053 1 1162 . 1 1 106 106 PRO C C 13 176.7 0.2 . 1 . . . . 307 PRO C . 7053 1 1163 . 1 1 106 106 PRO CA C 13 63.2 0.2 . 1 . . . . 307 PRO CA . 7053 1 1164 . 1 1 106 106 PRO CB C 13 32.0 0.2 . 1 . . . . 307 PRO CB . 7053 1 1165 . 1 1 106 106 PRO CG C 13 27.4 0.2 . 1 . . . . 307 PRO CG . 7053 1 1166 . 1 1 106 106 PRO CD C 13 50.5 0.2 . 1 . . . . 307 PRO CD . 7053 1 1167 . 1 1 107 107 ALA H H 1 8.32 0.02 . 1 . . . . 308 ALA HN . 7053 1 1168 . 1 1 107 107 ALA HA H 1 4.26 0.02 . 1 . . . . 308 ALA HA . 7053 1 1169 . 1 1 107 107 ALA HB1 H 1 1.38 0.02 . 1 . . . . 308 ALA HB . 7053 1 1170 . 1 1 107 107 ALA HB2 H 1 1.38 0.02 . 1 . . . . 308 ALA HB . 7053 1 1171 . 1 1 107 107 ALA HB3 H 1 1.38 0.02 . 1 . . . . 308 ALA HB . 7053 1 1172 . 1 1 107 107 ALA C C 13 177.9 0.2 . 1 . . . . 308 ALA C . 7053 1 1173 . 1 1 107 107 ALA CA C 13 52.8 0.2 . 1 . . . . 308 ALA CA . 7053 1 1174 . 1 1 107 107 ALA CB C 13 19.2 0.2 . 1 . . . . 308 ALA CB . 7053 1 1175 . 1 1 107 107 ALA N N 15 123.9 0.2 . 1 . . . . 308 ALA N . 7053 1 1176 . 1 1 108 108 SER H H 1 8.15 0.02 . 1 . . . . 309 SER HN . 7053 1 1177 . 1 1 108 108 SER HA H 1 4.38 0.02 . 1 . . . . 309 SER HA . 7053 1 1178 . 1 1 108 108 SER HB2 H 1 3.84 0.02 . 1 . . . . 309 SER HB1 . 7053 1 1179 . 1 1 108 108 SER HB3 H 1 3.84 0.02 . 1 . . . . 309 SER HB2 . 7053 1 1180 . 1 1 108 108 SER C C 13 174.3 0.2 . 1 . . . . 309 SER C . 7053 1 1181 . 1 1 108 108 SER CA C 13 58.2 0.2 . 1 . . . . 309 SER CA . 7053 1 1182 . 1 1 108 108 SER CB C 13 63.8 0.2 . 1 . . . . 309 SER CB . 7053 1 1183 . 1 1 108 108 SER N N 15 114.3 0.2 . 1 . . . . 309 SER N . 7053 1 1184 . 1 1 109 109 LEU H H 1 8.19 0.02 . 1 . . . . 310 LEU HN . 7053 1 1185 . 1 1 109 109 LEU HA H 1 4.40 0.02 . 1 . . . . 310 LEU HA . 7053 1 1186 . 1 1 109 109 LEU HB2 H 1 1.62 0.02 . 1 . . . . 310 LEU HB1 . 7053 1 1187 . 1 1 109 109 LEU HB3 H 1 1.62 0.02 . 1 . . . . 310 LEU HB2 . 7053 1 1188 . 1 1 109 109 LEU HD11 H 1 0.91 0.02 . 2 . . . . 310 LEU HD1 . 7053 1 1189 . 1 1 109 109 LEU HD12 H 1 0.91 0.02 . 2 . . . . 310 LEU HD1 . 7053 1 1190 . 1 1 109 109 LEU HD13 H 1 0.91 0.02 . 2 . . . . 310 LEU HD1 . 7053 1 1191 . 1 1 109 109 LEU HD21 H 1 0.86 0.02 . 2 . . . . 310 LEU HD2 . 7053 1 1192 . 1 1 109 109 LEU HD22 H 1 0.86 0.02 . 2 . . . . 310 LEU HD2 . 7053 1 1193 . 1 1 109 109 LEU HD23 H 1 0.86 0.02 . 2 . . . . 310 LEU HD2 . 7053 1 1194 . 1 1 109 109 LEU C C 13 176.9 0.2 . 1 . . . . 310 LEU C . 7053 1 1195 . 1 1 109 109 LEU CA C 13 55.3 0.2 . 1 . . . . 310 LEU CA . 7053 1 1196 . 1 1 109 109 LEU CB C 13 42.4 0.2 . 1 . . . . 310 LEU CB . 7053 1 1197 . 1 1 109 109 LEU CG C 13 27.1 0.2 . 1 . . . . 310 LEU CG . 7053 1 1198 . 1 1 109 109 LEU CD1 C 13 24.9 0.2 . 1 . . . . 310 LEU CD1 . 7053 1 1199 . 1 1 109 109 LEU CD2 C 13 23.6 0.2 . 1 . . . . 310 LEU CD2 . 7053 1 1200 . 1 1 109 109 LEU N N 15 124.0 0.2 . 1 . . . . 310 LEU N . 7053 1 1201 . 1 1 110 110 VAL H H 1 8.00 0.02 . 1 . . . . 311 VAL HN . 7053 1 1202 . 1 1 110 110 VAL HA H 1 4.13 0.02 . 1 . . . . 311 VAL HA . 7053 1 1203 . 1 1 110 110 VAL HB H 1 2.07 0.02 . 1 . . . . 311 VAL HB . 7053 1 1204 . 1 1 110 110 VAL HG11 H 1 0.93 0.02 . 2 . . . . 311 VAL HG1 . 7053 1 1205 . 1 1 110 110 VAL HG12 H 1 0.93 0.02 . 2 . . . . 311 VAL HG1 . 7053 1 1206 . 1 1 110 110 VAL HG13 H 1 0.93 0.02 . 2 . . . . 311 VAL HG1 . 7053 1 1207 . 1 1 110 110 VAL HG21 H 1 0.91 0.02 . 2 . . . . 311 VAL HG2 . 7053 1 1208 . 1 1 110 110 VAL HG22 H 1 0.91 0.02 . 2 . . . . 311 VAL HG2 . 7053 1 1209 . 1 1 110 110 VAL HG23 H 1 0.91 0.02 . 2 . . . . 311 VAL HG2 . 7053 1 1210 . 1 1 110 110 VAL C C 13 175.1 0.2 . 1 . . . . 311 VAL C . 7053 1 1211 . 1 1 110 110 VAL CA C 13 62.2 0.2 . 1 . . . . 311 VAL CA . 7053 1 1212 . 1 1 110 110 VAL CB C 13 32.9 0.2 . 1 . . . . 311 VAL CB . 7053 1 1213 . 1 1 110 110 VAL CG1 C 13 21.2 0.2 . 1 . . . . 311 VAL CG1 . 7053 1 1214 . 1 1 110 110 VAL CG2 C 13 20.7 0.2 . 1 . . . . 311 VAL CG2 . 7053 1 1215 . 1 1 110 110 VAL N N 15 121.0 0.2 . 1 . . . . 311 VAL N . 7053 1 1216 . 1 1 111 111 GLU H H 1 7.94 0.02 . 1 . . . . 312 GLU HN . 7053 1 1217 . 1 1 111 111 GLU HA H 1 4.10 0.02 . 1 . . . . 312 GLU HA . 7053 1 1218 . 1 1 111 111 GLU CA C 13 58.0 0.2 . 1 . . . . 312 GLU CA . 7053 1 1219 . 1 1 111 111 GLU CB C 13 31.4 0.2 . 1 . . . . 312 GLU CB . 7053 1 1220 . 1 1 111 111 GLU N N 15 129.8 0.2 . 1 . . . . 312 GLU N . 7053 1 stop_ save_