data_17713 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17713 _Entry.Title ; Fpr4p PPIase domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-16 _Entry.Accession_date 2011-06-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Catalytic peptidyl-prolyl isomerase domain from yeast Fpr4p consisting of C-terminal residues 280 to 392' _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 Yoan Monneau . R. . 17713 2 Cameron Mackereth . D. . 17713 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17713 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 532 17713 '15N chemical shifts' 120 17713 '1H chemical shifts' 859 17713 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 . . 2013-01-24 2011-06-16 update BMRB 'update entry citation' 17713 1 . . 2011-09-13 2011-06-16 original author 'original release' 17713 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4BF8 'BMRB Entry Tracking System' 17713 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17713 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21898050 _Citation.Full_citation . _Citation.Title 'Chemical shift assignments of the catalytic domain from the yeast proline isomerase Fpr4p.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _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 123 _Citation.Page_last 126 _Citation.Year 2012 _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 Yoan Monneau . R. . 17713 1 2 Christopher Nelson . J. . 17713 1 3 Cameron Mackereth . D. . 17713 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID epigenetics 17713 1 histone 17713 1 'proline isomerization' 17713 1 yeast 17713 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17713 _Assembly.ID 1 _Assembly.Name Fpr4p(280-392) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12480 _Assembly.Enzyme_commission_number 5.2.1.8 _Assembly.Details 'C-terminal peptidyl prolyl cis-trans isomerase domain from yeast Fpr4p' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Fpr4p(280-392) 1 $Fpr4p A . yes native no no . . . 17713 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fpr4p _Entity.Sf_category entity _Entity.Sf_framecode Fpr4p _Entity.Entry_ID 17713 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fpr4p _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 ; GAMAKPKTKLLEGGIIIEDR VTGKGPHAKKGTRVGMRYVG KLKNGKVFDKNTKGKPFVFK LGQGEVIKGWDIGVAGMAVG GERRIVIPAPYAYGKQALPG IPANSELTFDVKLVSMK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Contains N-terminal Gly-Ala-Met-Ala- residues following cleavage of the His6-tag by TEV protease' _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'PPIase domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 4BF8 . "Fpr4 Ppi Domain" . . . . . 100.00 117 100.00 100.00 5.83e-75 . . . . 17713 1 2 no DBJ GAA25303 . "K7_Fpr4p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 96.58 398 100.00 100.00 5.91e-73 . . . . 17713 1 3 no EMBL CAY81672 . "Fpr4p [Saccharomyces cerevisiae EC1118]" . . . . . 96.58 392 100.00 100.00 6.96e-73 . . . . 17713 1 4 no GB AAB67528 . "Ylr449wp [Saccharomyces cerevisiae]" . . . . . 96.58 392 100.00 100.00 7.50e-73 . . . . 17713 1 5 no GB AHY78796 . "Fpr4p [Saccharomyces cerevisiae YJM993]" . . . . . 96.58 392 100.00 100.00 6.96e-73 . . . . 17713 1 6 no GB AJP40573 . "Fpr4p [Saccharomyces cerevisiae YJM1078]" . . . . . 96.58 392 100.00 100.00 5.61e-73 . . . . 17713 1 7 no GB AJV46477 . "Fpr4p [Saccharomyces cerevisiae YJM1083]" . . . . . 96.58 393 100.00 100.00 6.48e-73 . . . . 17713 1 8 no GB AJV46929 . "Fpr4p [Saccharomyces cerevisiae YJM1129]" . . . . . 96.58 392 100.00 100.00 6.96e-73 . . . . 17713 1 9 no REF NP_013554 . "peptidylprolyl isomerase FPR4 [Saccharomyces cerevisiae S288c]" . . . . . 96.58 392 100.00 100.00 7.50e-73 . . . . 17713 1 10 no SP Q06205 . "RecName: Full=FK506-binding protein 4; AltName: Full=Peptidyl-prolyl cis-trans isomerase; Short=PPIase; AltName: Full=Rotamase" . . . . . 96.58 392 100.00 100.00 7.50e-73 . . . . 17713 1 11 no TPG DAA09749 . "TPA: peptidylprolyl isomerase FPR4 [Saccharomyces cerevisiae S288c]" . . . . . 96.58 392 100.00 100.00 7.50e-73 . . . . 17713 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'peptidyl-prolyl cis-trans isomerase' 17713 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 1 276 GLY . 17713 1 2 277 ALA . 17713 1 3 278 MET . 17713 1 4 279 ALA . 17713 1 5 280 LYS . 17713 1 6 281 PRO . 17713 1 7 282 LYS . 17713 1 8 283 THR . 17713 1 9 284 LYS . 17713 1 10 285 LEU . 17713 1 11 286 LEU . 17713 1 12 287 GLU . 17713 1 13 288 GLY . 17713 1 14 289 GLY . 17713 1 15 290 ILE . 17713 1 16 291 ILE . 17713 1 17 292 ILE . 17713 1 18 293 GLU . 17713 1 19 294 ASP . 17713 1 20 295 ARG . 17713 1 21 296 VAL . 17713 1 22 297 THR . 17713 1 23 298 GLY . 17713 1 24 299 LYS . 17713 1 25 300 GLY . 17713 1 26 301 PRO . 17713 1 27 302 HIS . 17713 1 28 303 ALA . 17713 1 29 304 LYS . 17713 1 30 305 LYS . 17713 1 31 306 GLY . 17713 1 32 307 THR . 17713 1 33 308 ARG . 17713 1 34 309 VAL . 17713 1 35 310 GLY . 17713 1 36 311 MET . 17713 1 37 312 ARG . 17713 1 38 313 TYR . 17713 1 39 314 VAL . 17713 1 40 315 GLY . 17713 1 41 316 LYS . 17713 1 42 317 LEU . 17713 1 43 318 LYS . 17713 1 44 319 ASN . 17713 1 45 320 GLY . 17713 1 46 321 LYS . 17713 1 47 322 VAL . 17713 1 48 323 PHE . 17713 1 49 324 ASP . 17713 1 50 325 LYS . 17713 1 51 326 ASN . 17713 1 52 327 THR . 17713 1 53 328 LYS . 17713 1 54 329 GLY . 17713 1 55 330 LYS . 17713 1 56 331 PRO . 17713 1 57 332 PHE . 17713 1 58 333 VAL . 17713 1 59 334 PHE . 17713 1 60 335 LYS . 17713 1 61 336 LEU . 17713 1 62 337 GLY . 17713 1 63 338 GLN . 17713 1 64 339 GLY . 17713 1 65 340 GLU . 17713 1 66 341 VAL . 17713 1 67 342 ILE . 17713 1 68 343 LYS . 17713 1 69 344 GLY . 17713 1 70 345 TRP . 17713 1 71 346 ASP . 17713 1 72 347 ILE . 17713 1 73 348 GLY . 17713 1 74 349 VAL . 17713 1 75 350 ALA . 17713 1 76 351 GLY . 17713 1 77 352 MET . 17713 1 78 353 ALA . 17713 1 79 354 VAL . 17713 1 80 355 GLY . 17713 1 81 356 GLY . 17713 1 82 357 GLU . 17713 1 83 358 ARG . 17713 1 84 359 ARG . 17713 1 85 360 ILE . 17713 1 86 361 VAL . 17713 1 87 362 ILE . 17713 1 88 363 PRO . 17713 1 89 364 ALA . 17713 1 90 365 PRO . 17713 1 91 366 TYR . 17713 1 92 367 ALA . 17713 1 93 368 TYR . 17713 1 94 369 GLY . 17713 1 95 370 LYS . 17713 1 96 371 GLN . 17713 1 97 372 ALA . 17713 1 98 373 LEU . 17713 1 99 374 PRO . 17713 1 100 375 GLY . 17713 1 101 376 ILE . 17713 1 102 377 PRO . 17713 1 103 378 ALA . 17713 1 104 379 ASN . 17713 1 105 380 SER . 17713 1 106 381 GLU . 17713 1 107 382 LEU . 17713 1 108 383 THR . 17713 1 109 384 PHE . 17713 1 110 385 ASP . 17713 1 111 386 VAL . 17713 1 112 387 LYS . 17713 1 113 388 LEU . 17713 1 114 389 VAL . 17713 1 115 390 SER . 17713 1 116 391 MET . 17713 1 117 392 LYS . 17713 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17713 1 . ALA 2 2 17713 1 . MET 3 3 17713 1 . ALA 4 4 17713 1 . LYS 5 5 17713 1 . PRO 6 6 17713 1 . LYS 7 7 17713 1 . THR 8 8 17713 1 . LYS 9 9 17713 1 . LEU 10 10 17713 1 . LEU 11 11 17713 1 . GLU 12 12 17713 1 . GLY 13 13 17713 1 . GLY 14 14 17713 1 . ILE 15 15 17713 1 . ILE 16 16 17713 1 . ILE 17 17 17713 1 . GLU 18 18 17713 1 . ASP 19 19 17713 1 . ARG 20 20 17713 1 . VAL 21 21 17713 1 . THR 22 22 17713 1 . GLY 23 23 17713 1 . LYS 24 24 17713 1 . GLY 25 25 17713 1 . PRO 26 26 17713 1 . HIS 27 27 17713 1 . ALA 28 28 17713 1 . LYS 29 29 17713 1 . LYS 30 30 17713 1 . GLY 31 31 17713 1 . THR 32 32 17713 1 . ARG 33 33 17713 1 . VAL 34 34 17713 1 . GLY 35 35 17713 1 . MET 36 36 17713 1 . ARG 37 37 17713 1 . TYR 38 38 17713 1 . VAL 39 39 17713 1 . GLY 40 40 17713 1 . LYS 41 41 17713 1 . LEU 42 42 17713 1 . LYS 43 43 17713 1 . ASN 44 44 17713 1 . GLY 45 45 17713 1 . LYS 46 46 17713 1 . VAL 47 47 17713 1 . PHE 48 48 17713 1 . ASP 49 49 17713 1 . LYS 50 50 17713 1 . ASN 51 51 17713 1 . THR 52 52 17713 1 . LYS 53 53 17713 1 . GLY 54 54 17713 1 . LYS 55 55 17713 1 . PRO 56 56 17713 1 . PHE 57 57 17713 1 . VAL 58 58 17713 1 . PHE 59 59 17713 1 . LYS 60 60 17713 1 . LEU 61 61 17713 1 . GLY 62 62 17713 1 . GLN 63 63 17713 1 . GLY 64 64 17713 1 . GLU 65 65 17713 1 . VAL 66 66 17713 1 . ILE 67 67 17713 1 . LYS 68 68 17713 1 . GLY 69 69 17713 1 . TRP 70 70 17713 1 . ASP 71 71 17713 1 . ILE 72 72 17713 1 . GLY 73 73 17713 1 . VAL 74 74 17713 1 . ALA 75 75 17713 1 . GLY 76 76 17713 1 . MET 77 77 17713 1 . ALA 78 78 17713 1 . VAL 79 79 17713 1 . GLY 80 80 17713 1 . GLY 81 81 17713 1 . GLU 82 82 17713 1 . ARG 83 83 17713 1 . ARG 84 84 17713 1 . ILE 85 85 17713 1 . VAL 86 86 17713 1 . ILE 87 87 17713 1 . PRO 88 88 17713 1 . ALA 89 89 17713 1 . PRO 90 90 17713 1 . TYR 91 91 17713 1 . ALA 92 92 17713 1 . TYR 93 93 17713 1 . GLY 94 94 17713 1 . LYS 95 95 17713 1 . GLN 96 96 17713 1 . ALA 97 97 17713 1 . LEU 98 98 17713 1 . PRO 99 99 17713 1 . GLY 100 100 17713 1 . ILE 101 101 17713 1 . PRO 102 102 17713 1 . ALA 103 103 17713 1 . ASN 104 104 17713 1 . SER 105 105 17713 1 . GLU 106 106 17713 1 . LEU 107 107 17713 1 . THR 108 108 17713 1 . PHE 109 109 17713 1 . ASP 110 110 17713 1 . VAL 111 111 17713 1 . LYS 112 112 17713 1 . LEU 113 113 17713 1 . VAL 114 114 17713 1 . SER 115 115 17713 1 . MET 116 116 17713 1 . LYS 117 117 17713 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 17713 _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 $Fpr4p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . FPR4 . . . . 17713 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 17713 _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 $Fpr4p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli pLysY . . . . . . . . . . . . . . . pET-His1a . . . 'Fpr4p(280-392) inserted into pET-9d-modified plasmid using NcoI/Acc65I to include an N-terminal His6-tag followed by a TEV protease cleavage site' . . 17713 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17713 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Fpr4p '[U-99% 15N]' . . 1 $Fpr4p . . 0.2 . . mM . . . . 17713 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17713 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17713 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17713 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17713 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17713 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Fpr4p '[U-99% 13C; U-99% 15N]' . . 1 $Fpr4p . . 0.2 . . mM . . . . 17713 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17713 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17713 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17713 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17713 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17713 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Fpr4p '[U-99% 13C; U-99% 15N]' . . 1 $Fpr4p . . 0.2 . . mM . . . . 17713 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17713 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17713 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17713 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17713 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17713 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Fpr4p '[U-10% 13C; U-99% 15N]' . . 1 $Fpr4p . . 0.2 . . mM . . . . 17713 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17713 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17713 4 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17713 4 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17713 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17713 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 170 . mM 17713 1 pH 6.5 . pH 17713 1 pressure 1 . atm 17713 1 temperature 292 . K 17713 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17713 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17713 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17713 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17713 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17713 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17713 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17713 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17713 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17713 3 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 17713 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5 mm CPTXI 1H-13C/15N/D Z-GRD' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17713 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '5 mm PATXI 1H-13C/15N/D Z-GRD' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17713 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 '5 mm CPTXI 1H-13C/15N/D Z-GRD' . . 17713 1 2 spectrometer_2 Bruker Avance . 700 '5 mm PATXI 1H-13C/15N/D Z-GRD' . . 17713 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17713 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17713 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17713 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17713 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17713 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17713 1 6 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17713 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17713 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17713 1 9 '3D H(C)CH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17713 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17713 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17713 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17713 1 13 '2D HBHD' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17713 1 14 '2D HBHE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17713 1 15 '2D 1H-13C HSQCCT' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17713 1 16 '2D DQF-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17713 1 17 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17713 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17713 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 17713 1 H 1 water protons . . . . ppm 4.77 internal direct 1.000 . . . . . . . . . 17713 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 17713 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17713 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17713 1 2 '3D HNCACB' . . . 17713 1 3 '3D CBCA(CO)NH' . . . 17713 1 4 '3D HNCA' . . . 17713 1 5 '3D HNCO' . . . 17713 1 6 '3D HCACO' . . . 17713 1 7 '3D HBHA(CO)NH' . . . 17713 1 8 '3D 1H-15N NOESY' . . . 17713 1 9 '3D H(C)CH-TOCSY' . . . 17713 1 10 '3D (H)CCH-TOCSY' . . . 17713 1 11 '3D 1H-13C NOESY' . . . 17713 1 12 '2D 1H-13C HSQC' . . . 17713 1 13 '2D HBHD' . . . 17713 1 14 '2D HBHE' . . . 17713 1 15 '2D 1H-13C HSQCCT' . . . 17713 1 16 '2D DQF-COSY' . . . 17713 1 17 '2D 1H-1H TOCSY' . . . 17713 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.842 0.005 . 1 . . . . 276 GLY HA2 . 17713 1 2 . 1 1 1 1 GLY HA3 H 1 3.842 0.005 . 1 . . . . 276 GLY HA3 . 17713 1 3 . 1 1 1 1 GLY C C 13 170.005 0.2 . 1 . . . . 276 GLY C . 17713 1 4 . 1 1 1 1 GLY CA C 13 43.317 0.066 . 1 . . . . 276 GLY CA . 17713 1 5 . 1 1 2 2 ALA H H 1 8.617 0.004 . 1 . . . . 277 ALA HN . 17713 1 6 . 1 1 2 2 ALA HA H 1 4.353 0.008 . 1 . . . . 277 ALA HA . 17713 1 7 . 1 1 2 2 ALA HB1 H 1 1.391 0.002 . 1 . . . . 277 ALA HB . 17713 1 8 . 1 1 2 2 ALA HB2 H 1 1.391 0.002 . 1 . . . . 277 ALA HB . 17713 1 9 . 1 1 2 2 ALA HB3 H 1 1.391 0.002 . 1 . . . . 277 ALA HB . 17713 1 10 . 1 1 2 2 ALA C C 13 177.746 0.001 . 1 . . . . 277 ALA C . 17713 1 11 . 1 1 2 2 ALA CA C 13 52.569 0.101 . 1 . . . . 277 ALA CA . 17713 1 12 . 1 1 2 2 ALA CB C 13 19.522 0.081 . 1 . . . . 277 ALA CB . 17713 1 13 . 1 1 2 2 ALA N N 15 123.675 0.042 . 1 . . . . 277 ALA N . 17713 1 14 . 1 1 3 3 MET H H 1 8.492 0.002 . 1 . . . . 278 MET HN . 17713 1 15 . 1 1 3 3 MET HA H 1 4.458 0.007 . 1 . . . . 278 MET HA . 17713 1 16 . 1 1 3 3 MET HB2 H 1 2.016 0.003 . 2 . . . . 278 MET HB2 . 17713 1 17 . 1 1 3 3 MET HB3 H 1 2.081 0.014 . 2 . . . . 278 MET HB3 . 17713 1 18 . 1 1 3 3 MET HG2 H 1 2.579 0.002 . 2 . . . . 278 MET HG2 . 17713 1 19 . 1 1 3 3 MET HG3 H 1 2.622 0.002 . 2 . . . . 278 MET HG3 . 17713 1 20 . 1 1 3 3 MET HE1 H 1 2.107 0.02 . 1 . . . . 278 MET HE . 17713 1 21 . 1 1 3 3 MET HE2 H 1 2.107 0.02 . 1 . . . . 278 MET HE . 17713 1 22 . 1 1 3 3 MET HE3 H 1 2.107 0.02 . 1 . . . . 278 MET HE . 17713 1 23 . 1 1 3 3 MET C C 13 175.853 0.2 . 1 . . . . 278 MET C . 17713 1 24 . 1 1 3 3 MET CA C 13 55.417 0.113 . 1 . . . . 278 MET CA . 17713 1 25 . 1 1 3 3 MET CB C 13 33.122 0.131 . 1 . . . . 278 MET CB . 17713 1 26 . 1 1 3 3 MET CG C 13 32.173 0.131 . 1 . . . . 278 MET CG . 17713 1 27 . 1 1 3 3 MET CE C 13 17.042 0.2 . 1 . . . . 278 MET CE . 17713 1 28 . 1 1 3 3 MET N N 15 120.324 0.037 . 1 . . . . 278 MET N . 17713 1 29 . 1 1 4 4 ALA H H 1 8.41 0.002 . 1 . . . . 279 ALA HN . 17713 1 30 . 1 1 4 4 ALA HA H 1 4.306 0.006 . 1 . . . . 279 ALA HA . 17713 1 31 . 1 1 4 4 ALA HB1 H 1 1.376 0.007 . 1 . . . . 279 ALA HB . 17713 1 32 . 1 1 4 4 ALA HB2 H 1 1.376 0.007 . 1 . . . . 279 ALA HB . 17713 1 33 . 1 1 4 4 ALA HB3 H 1 1.376 0.007 . 1 . . . . 279 ALA HB . 17713 1 34 . 1 1 4 4 ALA C C 13 177.352 0.001 . 1 . . . . 279 ALA C . 17713 1 35 . 1 1 4 4 ALA CA C 13 52.379 0.105 . 1 . . . . 279 ALA CA . 17713 1 36 . 1 1 4 4 ALA CB C 13 19.393 0.13 . 1 . . . . 279 ALA CB . 17713 1 37 . 1 1 4 4 ALA N N 15 126.36 0.052 . 1 . . . . 279 ALA N . 17713 1 38 . 1 1 5 5 LYS H H 1 8.369 0.002 . 1 . . . . 280 LYS HN . 17713 1 39 . 1 1 5 5 LYS HA H 1 4.597 0.005 . 1 . . . . 280 LYS HA . 17713 1 40 . 1 1 5 5 LYS HB2 H 1 1.73 0.007 . 2 . . . . 280 LYS HB2 . 17713 1 41 . 1 1 5 5 LYS HB3 H 1 1.838 0.002 . 2 . . . . 280 LYS HB3 . 17713 1 42 . 1 1 5 5 LYS HG2 H 1 1.474 0.003 . 2 . . . . 280 LYS HG2 . 17713 1 43 . 1 1 5 5 LYS HG3 H 1 1.52 0.001 . 2 . . . . 280 LYS HG3 . 17713 1 44 . 1 1 5 5 LYS HD2 H 1 1.71 0.002 . 1 . . . . 280 LYS HD2 . 17713 1 45 . 1 1 5 5 LYS HD3 H 1 1.71 0.002 . 1 . . . . 280 LYS HD3 . 17713 1 46 . 1 1 5 5 LYS HE2 H 1 3.013 0.002 . 1 . . . . 280 LYS HE2 . 17713 1 47 . 1 1 5 5 LYS HE3 H 1 3.013 0.002 . 1 . . . . 280 LYS HE3 . 17713 1 48 . 1 1 5 5 LYS CA C 13 54.402 0.117 . 1 . . . . 280 LYS CA . 17713 1 49 . 1 1 5 5 LYS CB C 13 32.605 0.059 . 1 . . . . 280 LYS CB . 17713 1 50 . 1 1 5 5 LYS CG C 13 24.91 0.061 . 1 . . . . 280 LYS CG . 17713 1 51 . 1 1 5 5 LYS CD C 13 29.376 0.054 . 1 . . . . 280 LYS CD . 17713 1 52 . 1 1 5 5 LYS CE C 13 42.227 0.018 . 1 . . . . 280 LYS CE . 17713 1 53 . 1 1 5 5 LYS N N 15 122.38 0.044 . 1 . . . . 280 LYS N . 17713 1 54 . 1 1 6 6 PRO HA H 1 4.448 0.006 . 1 . . . . 281 PRO HA . 17713 1 55 . 1 1 6 6 PRO HB2 H 1 1.87 0.006 . 2 . . . . 281 PRO HB2 . 17713 1 56 . 1 1 6 6 PRO HB3 H 1 2.319 0.005 . 2 . . . . 281 PRO HB3 . 17713 1 57 . 1 1 6 6 PRO HG2 H 1 2.028 0.004 . 1 . . . . 281 PRO HG2 . 17713 1 58 . 1 1 6 6 PRO HG3 H 1 2.028 0.004 . 1 . . . . 281 PRO HG3 . 17713 1 59 . 1 1 6 6 PRO HD2 H 1 3.651 0.004 . 2 . . . . 281 PRO HD2 . 17713 1 60 . 1 1 6 6 PRO HD3 H 1 3.863 0.01 . 2 . . . . 281 PRO HD3 . 17713 1 61 . 1 1 6 6 PRO C C 13 176.836 0.005 . 1 . . . . 281 PRO C . 17713 1 62 . 1 1 6 6 PRO CA C 13 63.257 0.096 . 1 . . . . 281 PRO CA . 17713 1 63 . 1 1 6 6 PRO CB C 13 32.646 0.122 . 1 . . . . 281 PRO CB . 17713 1 64 . 1 1 6 6 PRO CG C 13 27.822 0.099 . 1 . . . . 281 PRO CG . 17713 1 65 . 1 1 6 6 PRO CD C 13 51.072 0.12 . 1 . . . . 281 PRO CD . 17713 1 66 . 1 1 7 7 LYS H H 1 8.672 0.003 . 1 . . . . 282 LYS HN . 17713 1 67 . 1 1 7 7 LYS HA H 1 4.44 0.006 . 1 . . . . 282 LYS HA . 17713 1 68 . 1 1 7 7 LYS HB2 H 1 1.843 0.004 . 2 . . . . 282 LYS HB2 . 17713 1 69 . 1 1 7 7 LYS HB3 H 1 1.957 0.01 . 2 . . . . 282 LYS HB3 . 17713 1 70 . 1 1 7 7 LYS HG2 H 1 1.479 0.007 . 2 . . . . 282 LYS HG2 . 17713 1 71 . 1 1 7 7 LYS HG3 H 1 1.559 0.004 . 2 . . . . 282 LYS HG3 . 17713 1 72 . 1 1 7 7 LYS HD2 H 1 1.746 0.003 . 1 . . . . 282 LYS HD2 . 17713 1 73 . 1 1 7 7 LYS HD3 H 1 1.746 0.003 . 1 . . . . 282 LYS HD3 . 17713 1 74 . 1 1 7 7 LYS HE2 H 1 3.037 0.003 . 1 . . . . 282 LYS HE2 . 17713 1 75 . 1 1 7 7 LYS HE3 H 1 3.037 0.003 . 1 . . . . 282 LYS HE3 . 17713 1 76 . 1 1 7 7 LYS C C 13 176.471 0.2 . 1 . . . . 282 LYS C . 17713 1 77 . 1 1 7 7 LYS CA C 13 56.47 0.119 . 1 . . . . 282 LYS CA . 17713 1 78 . 1 1 7 7 LYS CB C 13 32.873 0.095 . 1 . . . . 282 LYS CB . 17713 1 79 . 1 1 7 7 LYS CG C 13 25.161 0.07 . 1 . . . . 282 LYS CG . 17713 1 80 . 1 1 7 7 LYS CD C 13 29.246 0.05 . 1 . . . . 282 LYS CD . 17713 1 81 . 1 1 7 7 LYS CE C 13 42.241 0.042 . 1 . . . . 282 LYS CE . 17713 1 82 . 1 1 7 7 LYS N N 15 122.221 0.048 . 1 . . . . 282 LYS N . 17713 1 83 . 1 1 8 8 THR H H 1 7.876 0.002 . 1 . . . . 283 THR HN . 17713 1 84 . 1 1 8 8 THR HA H 1 5.079 0.01 . 1 . . . . 283 THR HA . 17713 1 85 . 1 1 8 8 THR HB H 1 4.087 0.008 . 1 . . . . 283 THR HB . 17713 1 86 . 1 1 8 8 THR HG21 H 1 1.112 0.004 . 1 . . . . 283 THR HG2 . 17713 1 87 . 1 1 8 8 THR HG22 H 1 1.112 0.004 . 1 . . . . 283 THR HG2 . 17713 1 88 . 1 1 8 8 THR HG23 H 1 1.112 0.004 . 1 . . . . 283 THR HG2 . 17713 1 89 . 1 1 8 8 THR C C 13 174.252 0.007 . 1 . . . . 283 THR C . 17713 1 90 . 1 1 8 8 THR CA C 13 60.474 0.072 . 1 . . . . 283 THR CA . 17713 1 91 . 1 1 8 8 THR CB C 13 71.284 0.079 . 1 . . . . 283 THR CB . 17713 1 92 . 1 1 8 8 THR CG2 C 13 21.994 0.053 . 1 . . . . 283 THR CG2 . 17713 1 93 . 1 1 8 8 THR N N 15 113.742 0.038 . 1 . . . . 283 THR N . 17713 1 94 . 1 1 9 9 LYS H H 1 8.797 0.002 . 1 . . . . 284 LYS HN . 17713 1 95 . 1 1 9 9 LYS HA H 1 4.572 0.008 . 1 . . . . 284 LYS HA . 17713 1 96 . 1 1 9 9 LYS HB2 H 1 1.608 0.011 . 2 . . . . 284 LYS HB2 . 17713 1 97 . 1 1 9 9 LYS HB3 H 1 1.719 0.004 . 2 . . . . 284 LYS HB3 . 17713 1 98 . 1 1 9 9 LYS HG2 H 1 1.381 0.011 . 2 . . . . 284 LYS HG2 . 17713 1 99 . 1 1 9 9 LYS HG3 H 1 1.579 0.009 . 2 . . . . 284 LYS HG3 . 17713 1 100 . 1 1 9 9 LYS HD2 H 1 1.642 0.002 . 1 . . . . 284 LYS HD2 . 17713 1 101 . 1 1 9 9 LYS HD3 H 1 1.642 0.002 . 1 . . . . 284 LYS HD3 . 17713 1 102 . 1 1 9 9 LYS HE2 H 1 2.941 0.004 . 1 . . . . 284 LYS HE2 . 17713 1 103 . 1 1 9 9 LYS HE3 H 1 2.941 0.004 . 1 . . . . 284 LYS HE3 . 17713 1 104 . 1 1 9 9 LYS C C 13 173.431 0.013 . 1 . . . . 284 LYS C . 17713 1 105 . 1 1 9 9 LYS CA C 13 55.628 0.136 . 1 . . . . 284 LYS CA . 17713 1 106 . 1 1 9 9 LYS CB C 13 35.98 0.117 . 1 . . . . 284 LYS CB . 17713 1 107 . 1 1 9 9 LYS CG C 13 25.15 0.075 . 1 . . . . 284 LYS CG . 17713 1 108 . 1 1 9 9 LYS CD C 13 29.47 0.027 . 1 . . . . 284 LYS CD . 17713 1 109 . 1 1 9 9 LYS CE C 13 42.226 0.014 . 1 . . . . 284 LYS CE . 17713 1 110 . 1 1 9 9 LYS N N 15 122.297 0.048 . 1 . . . . 284 LYS N . 17713 1 111 . 1 1 10 10 LEU H H 1 8.188 0.003 . 1 . . . . 285 LEU HN . 17713 1 112 . 1 1 10 10 LEU HA H 1 4.83 0.007 . 1 . . . . 285 LEU HA . 17713 1 113 . 1 1 10 10 LEU HB2 H 1 1.444 0.004 . 2 . . . . 285 LEU HB2 . 17713 1 114 . 1 1 10 10 LEU HB3 H 1 1.688 0.005 . 2 . . . . 285 LEU HB3 . 17713 1 115 . 1 1 10 10 LEU HG H 1 1.54 0.004 . 1 . . . . 285 LEU HG . 17713 1 116 . 1 1 10 10 LEU HD11 H 1 0.848 0.004 . 1 . . . . 285 LEU HD1 . 17713 1 117 . 1 1 10 10 LEU HD12 H 1 0.848 0.004 . 1 . . . . 285 LEU HD1 . 17713 1 118 . 1 1 10 10 LEU HD13 H 1 0.848 0.004 . 1 . . . . 285 LEU HD1 . 17713 1 119 . 1 1 10 10 LEU HD21 H 1 0.848 0.004 . 1 . . . . 285 LEU HD2 . 17713 1 120 . 1 1 10 10 LEU HD22 H 1 0.848 0.004 . 1 . . . . 285 LEU HD2 . 17713 1 121 . 1 1 10 10 LEU HD23 H 1 0.848 0.004 . 1 . . . . 285 LEU HD2 . 17713 1 122 . 1 1 10 10 LEU C C 13 176.42 0.2 . 1 . . . . 285 LEU C . 17713 1 123 . 1 1 10 10 LEU CA C 13 54.416 0.084 . 1 . . . . 285 LEU CA . 17713 1 124 . 1 1 10 10 LEU CB C 13 43.462 0.061 . 1 . . . . 285 LEU CB . 17713 1 125 . 1 1 10 10 LEU CG C 13 27.557 0.058 . 1 . . . . 285 LEU CG . 17713 1 126 . 1 1 10 10 LEU CD1 C 13 24.724 0.033 . 1 . . . . 285 LEU CD1 . 17713 1 127 . 1 1 10 10 LEU CD2 C 13 25.681 0.055 . 1 . . . . 285 LEU CD2 . 17713 1 128 . 1 1 10 10 LEU N N 15 125.188 0.083 . 1 . . . . 285 LEU N . 17713 1 129 . 1 1 11 11 LEU H H 1 9.267 0.002 . 1 . . . . 286 LEU HN . 17713 1 130 . 1 1 11 11 LEU HA H 1 4.638 0.006 . 1 . . . . 286 LEU HA . 17713 1 131 . 1 1 11 11 LEU HB2 H 1 1.579 0.006 . 2 . . . . 286 LEU HB2 . 17713 1 132 . 1 1 11 11 LEU HB3 H 1 1.629 0.003 . 2 . . . . 286 LEU HB3 . 17713 1 133 . 1 1 11 11 LEU HG H 1 1.53 0.005 . 1 . . . . 286 LEU HG . 17713 1 134 . 1 1 11 11 LEU HD11 H 1 0.836 0.006 . 1 . . . . 286 LEU HD1 . 17713 1 135 . 1 1 11 11 LEU HD12 H 1 0.836 0.006 . 1 . . . . 286 LEU HD1 . 17713 1 136 . 1 1 11 11 LEU HD13 H 1 0.836 0.006 . 1 . . . . 286 LEU HD1 . 17713 1 137 . 1 1 11 11 LEU HD21 H 1 0.777 0.005 . 1 . . . . 286 LEU HD2 . 17713 1 138 . 1 1 11 11 LEU HD22 H 1 0.777 0.005 . 1 . . . . 286 LEU HD2 . 17713 1 139 . 1 1 11 11 LEU HD23 H 1 0.777 0.005 . 1 . . . . 286 LEU HD2 . 17713 1 140 . 1 1 11 11 LEU C C 13 176.139 0.021 . 1 . . . . 286 LEU C . 17713 1 141 . 1 1 11 11 LEU CA C 13 52.709 0.117 . 1 . . . . 286 LEU CA . 17713 1 142 . 1 1 11 11 LEU CB C 13 43.748 0.094 . 1 . . . . 286 LEU CB . 17713 1 143 . 1 1 11 11 LEU CG C 13 27.334 0.085 . 1 . . . . 286 LEU CG . 17713 1 144 . 1 1 11 11 LEU CD1 C 13 27.795 0.078 . 1 . . . . 286 LEU CD1 . 17713 1 145 . 1 1 11 11 LEU CD2 C 13 22.28 0.041 . 1 . . . . 286 LEU CD2 . 17713 1 146 . 1 1 11 11 LEU N N 15 127.074 0.061 . 1 . . . . 286 LEU N . 17713 1 147 . 1 1 12 12 GLU H H 1 7.891 0.003 . 1 . . . . 287 GLU HN . 17713 1 148 . 1 1 12 12 GLU HA H 1 3.986 0.006 . 1 . . . . 287 GLU HA . 17713 1 149 . 1 1 12 12 GLU HB2 H 1 1.812 0.01 . 2 . . . . 287 GLU HB2 . 17713 1 150 . 1 1 12 12 GLU HB3 H 1 2.097 0.006 . 2 . . . . 287 GLU HB3 . 17713 1 151 . 1 1 12 12 GLU HG2 H 1 2.117 0.003 . 2 . . . . 287 GLU HG2 . 17713 1 152 . 1 1 12 12 GLU HG3 H 1 2.234 0.005 . 2 . . . . 287 GLU HG3 . 17713 1 153 . 1 1 12 12 GLU C C 13 175.246 0.001 . 1 . . . . 287 GLU C . 17713 1 154 . 1 1 12 12 GLU CA C 13 57.404 0.083 . 1 . . . . 287 GLU CA . 17713 1 155 . 1 1 12 12 GLU CB C 13 30.292 0.09 . 1 . . . . 287 GLU CB . 17713 1 156 . 1 1 12 12 GLU CG C 13 36.02 0.036 . 1 . . . . 287 GLU CG . 17713 1 157 . 1 1 12 12 GLU N N 15 120.052 0.036 . 1 . . . . 287 GLU N . 17713 1 158 . 1 1 13 13 GLY H H 1 8.371 0.003 . 1 . . . . 288 GLY HN . 17713 1 159 . 1 1 13 13 GLY HA2 H 1 3.221 0.003 . 2 . . . . 288 GLY HA2 . 17713 1 160 . 1 1 13 13 GLY HA3 H 1 3.445 0.005 . 2 . . . . 288 GLY HA3 . 17713 1 161 . 1 1 13 13 GLY C C 13 174.42 0.2 . 1 . . . . 288 GLY C . 17713 1 162 . 1 1 13 13 GLY CA C 13 45.399 0.05 . 1 . . . . 288 GLY CA . 17713 1 163 . 1 1 13 13 GLY N N 15 108.408 0.054 . 1 . . . . 288 GLY N . 17713 1 164 . 1 1 14 14 GLY H H 1 7.756 0.002 . 1 . . . . 289 GLY HN . 17713 1 165 . 1 1 14 14 GLY HA2 H 1 3.493 0.003 . 2 . . . . 289 GLY HA2 . 17713 1 166 . 1 1 14 14 GLY HA3 H 1 4.094 0.002 . 2 . . . . 289 GLY HA3 . 17713 1 167 . 1 1 14 14 GLY C C 13 174.182 0.2 . 1 . . . . 289 GLY C . 17713 1 168 . 1 1 14 14 GLY CA C 13 45.089 0.05 . 1 . . . . 289 GLY CA . 17713 1 169 . 1 1 14 14 GLY N N 15 104.024 0.041 . 1 . . . . 289 GLY N . 17713 1 170 . 1 1 15 15 ILE H H 1 6.681 0.003 . 1 . . . . 290 ILE HN . 17713 1 171 . 1 1 15 15 ILE HA H 1 4.147 0.007 . 1 . . . . 290 ILE HA . 17713 1 172 . 1 1 15 15 ILE HB H 1 1.576 0.006 . 1 . . . . 290 ILE HB . 17713 1 173 . 1 1 15 15 ILE HG12 H 1 1.037 0.005 . 2 . . . . 290 ILE HG12 . 17713 1 174 . 1 1 15 15 ILE HG13 H 1 1.482 0.007 . 2 . . . . 290 ILE HG13 . 17713 1 175 . 1 1 15 15 ILE HG21 H 1 0.779 0.005 . 1 . . . . 290 ILE HG2 . 17713 1 176 . 1 1 15 15 ILE HG22 H 1 0.779 0.005 . 1 . . . . 290 ILE HG2 . 17713 1 177 . 1 1 15 15 ILE HG23 H 1 0.779 0.005 . 1 . . . . 290 ILE HG2 . 17713 1 178 . 1 1 15 15 ILE HD11 H 1 0.827 0.009 . 1 . . . . 290 ILE HD1 . 17713 1 179 . 1 1 15 15 ILE HD12 H 1 0.827 0.009 . 1 . . . . 290 ILE HD1 . 17713 1 180 . 1 1 15 15 ILE HD13 H 1 0.827 0.009 . 1 . . . . 290 ILE HD1 . 17713 1 181 . 1 1 15 15 ILE C C 13 174.031 0.001 . 1 . . . . 290 ILE C . 17713 1 182 . 1 1 15 15 ILE CA C 13 62.198 0.047 . 1 . . . . 290 ILE CA . 17713 1 183 . 1 1 15 15 ILE CB C 13 39.045 0.125 . 1 . . . . 290 ILE CB . 17713 1 184 . 1 1 15 15 ILE CG1 C 13 31.193 0.097 . 1 . . . . 290 ILE CG1 . 17713 1 185 . 1 1 15 15 ILE CG2 C 13 17.997 0.05 . 1 . . . . 290 ILE CG2 . 17713 1 186 . 1 1 15 15 ILE CD1 C 13 15.996 0.08 . 1 . . . . 290 ILE CD1 . 17713 1 187 . 1 1 15 15 ILE N N 15 121.592 0.062 . 1 . . . . 290 ILE N . 17713 1 188 . 1 1 16 16 ILE H H 1 8.149 0.004 . 1 . . . . 291 ILE HN . 17713 1 189 . 1 1 16 16 ILE HA H 1 4.994 0.007 . 1 . . . . 291 ILE HA . 17713 1 190 . 1 1 16 16 ILE HB H 1 1.575 0.003 . 1 . . . . 291 ILE HB . 17713 1 191 . 1 1 16 16 ILE HG12 H 1 0.944 0.007 . 2 . . . . 291 ILE HG12 . 17713 1 192 . 1 1 16 16 ILE HG13 H 1 1.719 0.007 . 2 . . . . 291 ILE HG13 . 17713 1 193 . 1 1 16 16 ILE HG21 H 1 0.851 0.005 . 1 . . . . 291 ILE HG2 . 17713 1 194 . 1 1 16 16 ILE HG22 H 1 0.851 0.005 . 1 . . . . 291 ILE HG2 . 17713 1 195 . 1 1 16 16 ILE HG23 H 1 0.851 0.005 . 1 . . . . 291 ILE HG2 . 17713 1 196 . 1 1 16 16 ILE HD11 H 1 0.826 0.006 . 1 . . . . 291 ILE HD1 . 17713 1 197 . 1 1 16 16 ILE HD12 H 1 0.826 0.006 . 1 . . . . 291 ILE HD1 . 17713 1 198 . 1 1 16 16 ILE HD13 H 1 0.826 0.006 . 1 . . . . 291 ILE HD1 . 17713 1 199 . 1 1 16 16 ILE C C 13 176.763 0.002 . 1 . . . . 291 ILE C . 17713 1 200 . 1 1 16 16 ILE CA C 13 59.805 0.104 . 1 . . . . 291 ILE CA . 17713 1 201 . 1 1 16 16 ILE CB C 13 41.503 0.098 . 1 . . . . 291 ILE CB . 17713 1 202 . 1 1 16 16 ILE CG1 C 13 27.894 0.057 . 1 . . . . 291 ILE CG1 . 17713 1 203 . 1 1 16 16 ILE CG2 C 13 17.923 0.057 . 1 . . . . 291 ILE CG2 . 17713 1 204 . 1 1 16 16 ILE CD1 C 13 13.626 0.058 . 1 . . . . 291 ILE CD1 . 17713 1 205 . 1 1 16 16 ILE N N 15 127.396 0.058 . 1 . . . . 291 ILE N . 17713 1 206 . 1 1 17 17 ILE H H 1 8.785 0.002 . 1 . . . . 292 ILE HN . 17713 1 207 . 1 1 17 17 ILE HA H 1 5.766 0.007 . 1 . . . . 292 ILE HA . 17713 1 208 . 1 1 17 17 ILE HB H 1 1.539 0.004 . 1 . . . . 292 ILE HB . 17713 1 209 . 1 1 17 17 ILE HG12 H 1 1 0.002 . 2 . . . . 292 ILE HG12 . 17713 1 210 . 1 1 17 17 ILE HG13 H 1 1.64 0.006 . 2 . . . . 292 ILE HG13 . 17713 1 211 . 1 1 17 17 ILE HG21 H 1 1.068 0.002 . 1 . . . . 292 ILE HG2 . 17713 1 212 . 1 1 17 17 ILE HG22 H 1 1.068 0.002 . 1 . . . . 292 ILE HG2 . 17713 1 213 . 1 1 17 17 ILE HG23 H 1 1.068 0.002 . 1 . . . . 292 ILE HG2 . 17713 1 214 . 1 1 17 17 ILE HD11 H 1 0.839 0.005 . 1 . . . . 292 ILE HD1 . 17713 1 215 . 1 1 17 17 ILE HD12 H 1 0.839 0.005 . 1 . . . . 292 ILE HD1 . 17713 1 216 . 1 1 17 17 ILE HD13 H 1 0.839 0.005 . 1 . . . . 292 ILE HD1 . 17713 1 217 . 1 1 17 17 ILE C C 13 175.167 0.001 . 1 . . . . 292 ILE C . 17713 1 218 . 1 1 17 17 ILE CA C 13 58.471 0.089 . 1 . . . . 292 ILE CA . 17713 1 219 . 1 1 17 17 ILE CB C 13 43.384 0.128 . 1 . . . . 292 ILE CB . 17713 1 220 . 1 1 17 17 ILE CG1 C 13 26.374 0.06 . 1 . . . . 292 ILE CG1 . 17713 1 221 . 1 1 17 17 ILE CG2 C 13 20.862 0.062 . 1 . . . . 292 ILE CG2 . 17713 1 222 . 1 1 17 17 ILE CD1 C 13 14.175 0.137 . 1 . . . . 292 ILE CD1 . 17713 1 223 . 1 1 17 17 ILE N N 15 118.019 0.024 . 1 . . . . 292 ILE N . 17713 1 224 . 1 1 18 18 GLU H H 1 8.615 0.003 . 1 . . . . 293 GLU HN . 17713 1 225 . 1 1 18 18 GLU HA H 1 4.712 0.006 . 1 . . . . 293 GLU HA . 17713 1 226 . 1 1 18 18 GLU HB2 H 1 1.883 0.004 . 1 . . . . 293 GLU HB2 . 17713 1 227 . 1 1 18 18 GLU HB3 H 1 1.883 0.004 . 1 . . . . 293 GLU HB3 . 17713 1 228 . 1 1 18 18 GLU HG2 H 1 1.835 0.003 . 2 . . . . 293 GLU HG2 . 17713 1 229 . 1 1 18 18 GLU HG3 H 1 2.189 0.002 . 2 . . . . 293 GLU HG3 . 17713 1 230 . 1 1 18 18 GLU C C 13 176.019 0.2 . 1 . . . . 293 GLU C . 17713 1 231 . 1 1 18 18 GLU CA C 13 54.831 0.058 . 1 . . . . 293 GLU CA . 17713 1 232 . 1 1 18 18 GLU CB C 13 33.721 0.066 . 1 . . . . 293 GLU CB . 17713 1 233 . 1 1 18 18 GLU CG C 13 35.936 0.075 . 1 . . . . 293 GLU CG . 17713 1 234 . 1 1 18 18 GLU N N 15 120.296 0.065 . 1 . . . . 293 GLU N . 17713 1 235 . 1 1 19 19 ASP H H 1 9.256 0.002 . 1 . . . . 294 ASP HN . 17713 1 236 . 1 1 19 19 ASP HA H 1 5.202 0.008 . 1 . . . . 294 ASP HA . 17713 1 237 . 1 1 19 19 ASP HB2 H 1 2.279 0.003 . 2 . . . . 294 ASP HB2 . 17713 1 238 . 1 1 19 19 ASP HB3 H 1 2.548 0.01 . 2 . . . . 294 ASP HB3 . 17713 1 239 . 1 1 19 19 ASP C C 13 175.272 0.001 . 1 . . . . 294 ASP C . 17713 1 240 . 1 1 19 19 ASP CA C 13 55.577 0.083 . 1 . . . . 294 ASP CA . 17713 1 241 . 1 1 19 19 ASP CB C 13 41.455 0.112 . 1 . . . . 294 ASP CB . 17713 1 242 . 1 1 19 19 ASP N N 15 127.943 0.062 . 1 . . . . 294 ASP N . 17713 1 243 . 1 1 20 20 ARG H H 1 8.532 0.003 . 1 . . . . 295 ARG HN . 17713 1 244 . 1 1 20 20 ARG HA H 1 4.318 0.007 . 1 . . . . 295 ARG HA . 17713 1 245 . 1 1 20 20 ARG HB2 H 1 1.686 0.008 . 2 . . . . 295 ARG HB2 . 17713 1 246 . 1 1 20 20 ARG HB3 H 1 1.914 0.01 . 2 . . . . 295 ARG HB3 . 17713 1 247 . 1 1 20 20 ARG HG2 H 1 1.652 0.01 . 1 . . . . 295 ARG HG2 . 17713 1 248 . 1 1 20 20 ARG HG3 H 1 1.652 0.01 . 1 . . . . 295 ARG HG3 . 17713 1 249 . 1 1 20 20 ARG HD2 H 1 3.174 0.005 . 1 . . . . 295 ARG HD2 . 17713 1 250 . 1 1 20 20 ARG HD3 H 1 3.174 0.005 . 1 . . . . 295 ARG HD3 . 17713 1 251 . 1 1 20 20 ARG HE H 1 7.328 0.001 . 1 . . . . 295 ARG HE . 17713 1 252 . 1 1 20 20 ARG C C 13 176.898 0.001 . 1 . . . . 295 ARG C . 17713 1 253 . 1 1 20 20 ARG CA C 13 58.41 0.112 . 1 . . . . 295 ARG CA . 17713 1 254 . 1 1 20 20 ARG CB C 13 31.09 0.096 . 1 . . . . 295 ARG CB . 17713 1 255 . 1 1 20 20 ARG CG C 13 28.607 0.093 . 1 . . . . 295 ARG CG . 17713 1 256 . 1 1 20 20 ARG CD C 13 43.189 0.045 . 1 . . . . 295 ARG CD . 17713 1 257 . 1 1 20 20 ARG N N 15 126.879 0.059 . 1 . . . . 295 ARG N . 17713 1 258 . 1 1 20 20 ARG NE N 15 83.86 0.06 . 1 . . . . 295 ARG NE . 17713 1 259 . 1 1 21 21 VAL H H 1 8.125 0.002 . 1 . . . . 296 VAL HN . 17713 1 260 . 1 1 21 21 VAL HA H 1 4.295 0.007 . 1 . . . . 296 VAL HA . 17713 1 261 . 1 1 21 21 VAL HB H 1 1.939 0.009 . 1 . . . . 296 VAL HB . 17713 1 262 . 1 1 21 21 VAL HG11 H 1 0.953 0.003 . 1 . . . . 296 VAL HG1 . 17713 1 263 . 1 1 21 21 VAL HG12 H 1 0.953 0.003 . 1 . . . . 296 VAL HG1 . 17713 1 264 . 1 1 21 21 VAL HG13 H 1 0.953 0.003 . 1 . . . . 296 VAL HG1 . 17713 1 265 . 1 1 21 21 VAL HG21 H 1 0.953 0.003 . 1 . . . . 296 VAL HG2 . 17713 1 266 . 1 1 21 21 VAL HG22 H 1 0.953 0.003 . 1 . . . . 296 VAL HG2 . 17713 1 267 . 1 1 21 21 VAL HG23 H 1 0.953 0.003 . 1 . . . . 296 VAL HG2 . 17713 1 268 . 1 1 21 21 VAL C C 13 176.548 0.003 . 1 . . . . 296 VAL C . 17713 1 269 . 1 1 21 21 VAL CA C 13 62.129 0.109 . 1 . . . . 296 VAL CA . 17713 1 270 . 1 1 21 21 VAL CB C 13 36.629 0.129 . 1 . . . . 296 VAL CB . 17713 1 271 . 1 1 21 21 VAL CG1 C 13 21.447 0.035 . 1 . . . . 296 VAL CG1 . 17713 1 272 . 1 1 21 21 VAL CG2 C 13 21.447 0.035 . 1 . . . . 296 VAL CG2 . 17713 1 273 . 1 1 21 21 VAL N N 15 117.255 0.047 . 1 . . . . 296 VAL N . 17713 1 274 . 1 1 22 22 THR H H 1 9.303 0.003 . 1 . . . . 297 THR HN . 17713 1 275 . 1 1 22 22 THR HA H 1 4.393 0.008 . 1 . . . . 297 THR HA . 17713 1 276 . 1 1 22 22 THR HB H 1 4.12 0.007 . 1 . . . . 297 THR HB . 17713 1 277 . 1 1 22 22 THR HG21 H 1 1.34 0.005 . 1 . . . . 297 THR HG2 . 17713 1 278 . 1 1 22 22 THR HG22 H 1 1.34 0.005 . 1 . . . . 297 THR HG2 . 17713 1 279 . 1 1 22 22 THR HG23 H 1 1.34 0.005 . 1 . . . . 297 THR HG2 . 17713 1 280 . 1 1 22 22 THR C C 13 175.028 0.007 . 1 . . . . 297 THR C . 17713 1 281 . 1 1 22 22 THR CA C 13 62.793 0.06 . 1 . . . . 297 THR CA . 17713 1 282 . 1 1 22 22 THR CB C 13 69.278 0.078 . 1 . . . . 297 THR CB . 17713 1 283 . 1 1 22 22 THR CG2 C 13 21.923 0.089 . 1 . . . . 297 THR CG2 . 17713 1 284 . 1 1 22 22 THR N N 15 126.175 0.066 . 1 . . . . 297 THR N . 17713 1 285 . 1 1 23 23 GLY H H 1 9.038 0.004 . 1 . . . . 298 GLY HN . 17713 1 286 . 1 1 23 23 GLY HA2 H 1 3.377 0.008 . 2 . . . . 298 GLY HA2 . 17713 1 287 . 1 1 23 23 GLY HA3 H 1 3.995 0.006 . 2 . . . . 298 GLY HA3 . 17713 1 288 . 1 1 23 23 GLY C C 13 172.277 0.2 . 1 . . . . 298 GLY C . 17713 1 289 . 1 1 23 23 GLY CA C 13 44.499 0.071 . 1 . . . . 298 GLY CA . 17713 1 290 . 1 1 23 23 GLY N N 15 113.495 0.049 . 1 . . . . 298 GLY N . 17713 1 291 . 1 1 24 24 LYS H H 1 8.097 0.003 . 1 . . . . 299 LYS HN . 17713 1 292 . 1 1 24 24 LYS HA H 1 4.642 0.008 . 1 . . . . 299 LYS HA . 17713 1 293 . 1 1 24 24 LYS HB2 H 1 1.712 0.007 . 2 . . . . 299 LYS HB2 . 17713 1 294 . 1 1 24 24 LYS HB3 H 1 1.808 0.008 . 2 . . . . 299 LYS HB3 . 17713 1 295 . 1 1 24 24 LYS HG2 H 1 1.384 0.001 . 2 . . . . 299 LYS HG2 . 17713 1 296 . 1 1 24 24 LYS HG3 H 1 1.458 0.004 . 2 . . . . 299 LYS HG3 . 17713 1 297 . 1 1 24 24 LYS HD2 H 1 1.665 0.002 . 1 . . . . 299 LYS HD2 . 17713 1 298 . 1 1 24 24 LYS HD3 H 1 1.665 0.002 . 1 . . . . 299 LYS HD3 . 17713 1 299 . 1 1 24 24 LYS HE2 H 1 2.983 0.003 . 1 . . . . 299 LYS HE2 . 17713 1 300 . 1 1 24 24 LYS HE3 H 1 2.983 0.003 . 1 . . . . 299 LYS HE3 . 17713 1 301 . 1 1 24 24 LYS C C 13 176.472 0.012 . 1 . . . . 299 LYS C . 17713 1 302 . 1 1 24 24 LYS CA C 13 54.92 0.041 . 1 . . . . 299 LYS CA . 17713 1 303 . 1 1 24 24 LYS CB C 13 35.797 0.11 . 1 . . . . 299 LYS CB . 17713 1 304 . 1 1 24 24 LYS CG C 13 25.077 0.046 . 1 . . . . 299 LYS CG . 17713 1 305 . 1 1 24 24 LYS CD C 13 29.287 0.104 . 1 . . . . 299 LYS CD . 17713 1 306 . 1 1 24 24 LYS CE C 13 42.202 0.049 . 1 . . . . 299 LYS CE . 17713 1 307 . 1 1 24 24 LYS N N 15 117.891 0.072 . 1 . . . . 299 LYS N . 17713 1 308 . 1 1 25 25 GLY H H 1 8.704 0.002 . 1 . . . . 300 GLY HN . 17713 1 309 . 1 1 25 25 GLY HA2 H 1 3.795 0.004 . 2 . . . . 300 GLY HA2 . 17713 1 310 . 1 1 25 25 GLY HA3 H 1 4.377 0.004 . 2 . . . . 300 GLY HA3 . 17713 1 311 . 1 1 25 25 GLY CA C 13 44.327 0.075 . 1 . . . . 300 GLY CA . 17713 1 312 . 1 1 25 25 GLY N N 15 111.63 0.05 . 1 . . . . 300 GLY N . 17713 1 313 . 1 1 26 26 PRO HA H 1 4.245 0.009 . 1 . . . . 301 PRO HA . 17713 1 314 . 1 1 26 26 PRO HB2 H 1 1.825 0.008 . 2 . . . . 301 PRO HB2 . 17713 1 315 . 1 1 26 26 PRO HB3 H 1 2.28 0.009 . 2 . . . . 301 PRO HB3 . 17713 1 316 . 1 1 26 26 PRO HG2 H 1 1.969 0.006 . 1 . . . . 301 PRO HG2 . 17713 1 317 . 1 1 26 26 PRO HG3 H 1 1.969 0.006 . 1 . . . . 301 PRO HG3 . 17713 1 318 . 1 1 26 26 PRO HD2 H 1 3.558 0.004 . 2 . . . . 301 PRO HD2 . 17713 1 319 . 1 1 26 26 PRO HD3 H 1 3.704 0.013 . 2 . . . . 301 PRO HD3 . 17713 1 320 . 1 1 26 26 PRO C C 13 175.283 0.001 . 1 . . . . 301 PRO C . 17713 1 321 . 1 1 26 26 PRO CA C 13 62.812 0.087 . 1 . . . . 301 PRO CA . 17713 1 322 . 1 1 26 26 PRO CB C 13 32.598 0.126 . 1 . . . . 301 PRO CB . 17713 1 323 . 1 1 26 26 PRO CG C 13 27.57 0.079 . 1 . . . . 301 PRO CG . 17713 1 324 . 1 1 26 26 PRO CD C 13 50.22 0.111 . 1 . . . . 301 PRO CD . 17713 1 325 . 1 1 27 27 HIS H H 1 8.271 0.004 . 1 . . . . 302 HIS HN . 17713 1 326 . 1 1 27 27 HIS HA H 1 4.789 0.011 . 1 . . . . 302 HIS HA . 17713 1 327 . 1 1 27 27 HIS HB2 H 1 2.703 0.009 . 2 . . . . 302 HIS HB2 . 17713 1 328 . 1 1 27 27 HIS HB3 H 1 2.96 0.011 . 2 . . . . 302 HIS HB3 . 17713 1 329 . 1 1 27 27 HIS HD2 H 1 7.012 0.014 . 1 . . . . 302 HIS HD2 . 17713 1 330 . 1 1 27 27 HIS HE1 H 1 8.136 0.2 . 1 . . . . 302 HIS HE1 . 17713 1 331 . 1 1 27 27 HIS C C 13 175.959 0.001 . 1 . . . . 302 HIS C . 17713 1 332 . 1 1 27 27 HIS CA C 13 53.594 0.047 . 1 . . . . 302 HIS CA . 17713 1 333 . 1 1 27 27 HIS CB C 13 31.625 0.068 . 1 . . . . 302 HIS CB . 17713 1 334 . 1 1 27 27 HIS CD2 C 13 118.844 0.2 . 1 . . . . 302 HIS CD2 . 17713 1 335 . 1 1 27 27 HIS CE1 C 13 137.122 0.2 . 1 . . . . 302 HIS CE1 . 17713 1 336 . 1 1 27 27 HIS N N 15 116.171 0.016 . 1 . . . . 302 HIS N . 17713 1 337 . 1 1 28 28 ALA H H 1 9.291 0.002 . 1 . . . . 303 ALA HN . 17713 1 338 . 1 1 28 28 ALA HA H 1 4.105 0.011 . 1 . . . . 303 ALA HA . 17713 1 339 . 1 1 28 28 ALA HB1 H 1 1.268 0.005 . 1 . . . . 303 ALA HB . 17713 1 340 . 1 1 28 28 ALA HB2 H 1 1.268 0.005 . 1 . . . . 303 ALA HB . 17713 1 341 . 1 1 28 28 ALA HB3 H 1 1.268 0.005 . 1 . . . . 303 ALA HB . 17713 1 342 . 1 1 28 28 ALA C C 13 176.669 0.001 . 1 . . . . 303 ALA C . 17713 1 343 . 1 1 28 28 ALA CA C 13 53.154 0.07 . 1 . . . . 303 ALA CA . 17713 1 344 . 1 1 28 28 ALA CB C 13 18.71 0.075 . 1 . . . . 303 ALA CB . 17713 1 345 . 1 1 28 28 ALA N N 15 124.665 0.057 . 1 . . . . 303 ALA N . 17713 1 346 . 1 1 29 29 LYS H H 1 8.452 0.002 . 1 . . . . 304 LYS HN . 17713 1 347 . 1 1 29 29 LYS HA H 1 4.686 0.008 . 1 . . . . 304 LYS HA . 17713 1 348 . 1 1 29 29 LYS HB2 H 1 1.86 0.012 . 1 . . . . 304 LYS HB2 . 17713 1 349 . 1 1 29 29 LYS HB3 H 1 1.86 0.012 . 1 . . . . 304 LYS HB3 . 17713 1 350 . 1 1 29 29 LYS HG2 H 1 1.339 0.007 . 1 . . . . 304 LYS HG2 . 17713 1 351 . 1 1 29 29 LYS HG3 H 1 1.339 0.007 . 1 . . . . 304 LYS HG3 . 17713 1 352 . 1 1 29 29 LYS HD2 H 1 1.669 0.003 . 1 . . . . 304 LYS HD2 . 17713 1 353 . 1 1 29 29 LYS HD3 H 1 1.669 0.003 . 1 . . . . 304 LYS HD3 . 17713 1 354 . 1 1 29 29 LYS HE2 H 1 2.996 0.008 . 1 . . . . 304 LYS HE2 . 17713 1 355 . 1 1 29 29 LYS HE3 H 1 2.996 0.008 . 1 . . . . 304 LYS HE3 . 17713 1 356 . 1 1 29 29 LYS C C 13 174.147 0.013 . 1 . . . . 304 LYS C . 17713 1 357 . 1 1 29 29 LYS CA C 13 54.218 0.112 . 1 . . . . 304 LYS CA . 17713 1 358 . 1 1 29 29 LYS CB C 13 35.93 0.112 . 1 . . . . 304 LYS CB . 17713 1 359 . 1 1 29 29 LYS CG C 13 23.174 0.036 . 1 . . . . 304 LYS CG . 17713 1 360 . 1 1 29 29 LYS CD C 13 29.69 0.095 . 1 . . . . 304 LYS CD . 17713 1 361 . 1 1 29 29 LYS CE C 13 42.218 0.051 . 1 . . . . 304 LYS CE . 17713 1 362 . 1 1 29 29 LYS N N 15 123.001 0.051 . 1 . . . . 304 LYS N . 17713 1 363 . 1 1 30 30 LYS H H 1 8.422 0.002 . 1 . . . . 305 LYS HN . 17713 1 364 . 1 1 30 30 LYS HA H 1 3.75 0.006 . 1 . . . . 305 LYS HA . 17713 1 365 . 1 1 30 30 LYS HB2 H 1 1.73 0.007 . 2 . . . . 305 LYS HB2 . 17713 1 366 . 1 1 30 30 LYS HB3 H 1 1.854 0.009 . 2 . . . . 305 LYS HB3 . 17713 1 367 . 1 1 30 30 LYS HG2 H 1 1.336 0.009 . 2 . . . . 305 LYS HG2 . 17713 1 368 . 1 1 30 30 LYS HG3 H 1 1.492 0.01 . 2 . . . . 305 LYS HG3 . 17713 1 369 . 1 1 30 30 LYS HD2 H 1 1.759 0.013 . 1 . . . . 305 LYS HD2 . 17713 1 370 . 1 1 30 30 LYS HD3 H 1 1.759 0.013 . 1 . . . . 305 LYS HD3 . 17713 1 371 . 1 1 30 30 LYS HE2 H 1 3.027 0.009 . 1 . . . . 305 LYS HE2 . 17713 1 372 . 1 1 30 30 LYS HE3 H 1 3.027 0.009 . 1 . . . . 305 LYS HE3 . 17713 1 373 . 1 1 30 30 LYS C C 13 177.615 0.004 . 1 . . . . 305 LYS C . 17713 1 374 . 1 1 30 30 LYS CA C 13 59.509 0.055 . 1 . . . . 305 LYS CA . 17713 1 375 . 1 1 30 30 LYS CB C 13 31.922 0.15 . 1 . . . . 305 LYS CB . 17713 1 376 . 1 1 30 30 LYS CG C 13 25.684 0.064 . 1 . . . . 305 LYS CG . 17713 1 377 . 1 1 30 30 LYS CD C 13 29.781 0.058 . 1 . . . . 305 LYS CD . 17713 1 378 . 1 1 30 30 LYS CE C 13 42.1 0.066 . 1 . . . . 305 LYS CE . 17713 1 379 . 1 1 30 30 LYS N N 15 120.437 0.045 . 1 . . . . 305 LYS N . 17713 1 380 . 1 1 31 31 GLY H H 1 8.931 0.004 . 1 . . . . 306 GLY HN . 17713 1 381 . 1 1 31 31 GLY HA2 H 1 3.45 0.003 . 2 . . . . 306 GLY HA2 . 17713 1 382 . 1 1 31 31 GLY HA3 H 1 4.518 0.005 . 2 . . . . 306 GLY HA3 . 17713 1 383 . 1 1 31 31 GLY C C 13 174.277 0.2 . 1 . . . . 306 GLY C . 17713 1 384 . 1 1 31 31 GLY CA C 13 45.028 0.045 . 1 . . . . 306 GLY CA . 17713 1 385 . 1 1 31 31 GLY N N 15 115.055 0.046 . 1 . . . . 306 GLY N . 17713 1 386 . 1 1 32 32 THR H H 1 8.615 0.002 . 1 . . . . 307 THR HN . 17713 1 387 . 1 1 32 32 THR HA H 1 4.127 0.011 . 1 . . . . 307 THR HA . 17713 1 388 . 1 1 32 32 THR HB H 1 4.03 0.013 . 1 . . . . 307 THR HB . 17713 1 389 . 1 1 32 32 THR HG21 H 1 1.288 0.004 . 1 . . . . 307 THR HG2 . 17713 1 390 . 1 1 32 32 THR HG22 H 1 1.288 0.004 . 1 . . . . 307 THR HG2 . 17713 1 391 . 1 1 32 32 THR HG23 H 1 1.288 0.004 . 1 . . . . 307 THR HG2 . 17713 1 392 . 1 1 32 32 THR C C 13 172.996 0.01 . 1 . . . . 307 THR C . 17713 1 393 . 1 1 32 32 THR CA C 13 64.28 0.08 . 1 . . . . 307 THR CA . 17713 1 394 . 1 1 32 32 THR CB C 13 69.403 0.074 . 1 . . . . 307 THR CB . 17713 1 395 . 1 1 32 32 THR CG2 C 13 24.185 0.096 . 1 . . . . 307 THR CG2 . 17713 1 396 . 1 1 32 32 THR N N 15 119.796 0.048 . 1 . . . . 307 THR N . 17713 1 397 . 1 1 33 33 ARG H H 1 8.901 0.003 . 1 . . . . 308 ARG HN . 17713 1 398 . 1 1 33 33 ARG HA H 1 4.66 0.004 . 1 . . . . 308 ARG HA . 17713 1 399 . 1 1 33 33 ARG HB2 H 1 1.579 0.006 . 2 . . . . 308 ARG HB2 . 17713 1 400 . 1 1 33 33 ARG HB3 H 1 1.675 0.004 . 2 . . . . 308 ARG HB3 . 17713 1 401 . 1 1 33 33 ARG HG2 H 1 1.215 0.006 . 2 . . . . 308 ARG HG2 . 17713 1 402 . 1 1 33 33 ARG HG3 H 1 1.366 0.005 . 2 . . . . 308 ARG HG3 . 17713 1 403 . 1 1 33 33 ARG HD2 H 1 3.052 0.005 . 1 . . . . 308 ARG HD2 . 17713 1 404 . 1 1 33 33 ARG HD3 H 1 3.052 0.005 . 1 . . . . 308 ARG HD3 . 17713 1 405 . 1 1 33 33 ARG HE H 1 7.286 0.001 . 1 . . . . 308 ARG HE . 17713 1 406 . 1 1 33 33 ARG C C 13 175.18 0.011 . 1 . . . . 308 ARG C . 17713 1 407 . 1 1 33 33 ARG CA C 13 55.88 0.127 . 1 . . . . 308 ARG CA . 17713 1 408 . 1 1 33 33 ARG CB C 13 30.346 0.078 . 1 . . . . 308 ARG CB . 17713 1 409 . 1 1 33 33 ARG CG C 13 27.777 0.069 . 1 . . . . 308 ARG CG . 17713 1 410 . 1 1 33 33 ARG CD C 13 43.624 0.075 . 1 . . . . 308 ARG CD . 17713 1 411 . 1 1 33 33 ARG N N 15 127.859 0.047 . 1 . . . . 308 ARG N . 17713 1 412 . 1 1 33 33 ARG NE N 15 84.212 0.01 . 1 . . . . 308 ARG NE . 17713 1 413 . 1 1 34 34 VAL H H 1 8.724 0.003 . 1 . . . . 309 VAL HN . 17713 1 414 . 1 1 34 34 VAL HA H 1 4.65 0.007 . 1 . . . . 309 VAL HA . 17713 1 415 . 1 1 34 34 VAL HB H 1 1.768 0.005 . 1 . . . . 309 VAL HB . 17713 1 416 . 1 1 34 34 VAL HG11 H 1 0.663 0.006 . 1 . . . . 309 VAL HG1 . 17713 1 417 . 1 1 34 34 VAL HG12 H 1 0.663 0.006 . 1 . . . . 309 VAL HG1 . 17713 1 418 . 1 1 34 34 VAL HG13 H 1 0.663 0.006 . 1 . . . . 309 VAL HG1 . 17713 1 419 . 1 1 34 34 VAL HG21 H 1 0.136 0.006 . 1 . . . . 309 VAL HG2 . 17713 1 420 . 1 1 34 34 VAL HG22 H 1 0.136 0.006 . 1 . . . . 309 VAL HG2 . 17713 1 421 . 1 1 34 34 VAL HG23 H 1 0.136 0.006 . 1 . . . . 309 VAL HG2 . 17713 1 422 . 1 1 34 34 VAL C C 13 172.91 0.012 . 1 . . . . 309 VAL C . 17713 1 423 . 1 1 34 34 VAL CA C 13 59.488 0.102 . 1 . . . . 309 VAL CA . 17713 1 424 . 1 1 34 34 VAL CB C 13 34.064 0.125 . 1 . . . . 309 VAL CB . 17713 1 425 . 1 1 34 34 VAL CG1 C 13 23.702 0.078 . 1 . . . . 309 VAL CG1 . 17713 1 426 . 1 1 34 34 VAL CG2 C 13 19.185 0.11 . 1 . . . . 309 VAL CG2 . 17713 1 427 . 1 1 34 34 VAL N N 15 122.909 0.067 . 1 . . . . 309 VAL N . 17713 1 428 . 1 1 35 35 GLY H H 1 8.158 0.002 . 1 . . . . 310 GLY HN . 17713 1 429 . 1 1 35 35 GLY HA2 H 1 3.289 0.009 . 2 . . . . 310 GLY HA2 . 17713 1 430 . 1 1 35 35 GLY HA3 H 1 5.078 0.011 . 2 . . . . 310 GLY HA3 . 17713 1 431 . 1 1 35 35 GLY C C 13 174.098 0.2 . 1 . . . . 310 GLY C . 17713 1 432 . 1 1 35 35 GLY CA C 13 44.152 0.064 . 1 . . . . 310 GLY CA . 17713 1 433 . 1 1 35 35 GLY N N 15 107.807 0.039 . 1 . . . . 310 GLY N . 17713 1 434 . 1 1 36 36 MET H H 1 9.813 0.002 . 1 . . . . 311 MET HN . 17713 1 435 . 1 1 36 36 MET HA H 1 5.75 0.01 . 1 . . . . 311 MET HA . 17713 1 436 . 1 1 36 36 MET HB2 H 1 2.167 0.005 . 2 . . . . 311 MET HB2 . 17713 1 437 . 1 1 36 36 MET HB3 H 1 2.281 0.003 . 2 . . . . 311 MET HB3 . 17713 1 438 . 1 1 36 36 MET HG2 H 1 2.491 0.003 . 2 . . . . 311 MET HG2 . 17713 1 439 . 1 1 36 36 MET HG3 H 1 2.641 0.006 . 2 . . . . 311 MET HG3 . 17713 1 440 . 1 1 36 36 MET HE1 H 1 1.058 0.028 . 1 . . . . 311 MET HE . 17713 1 441 . 1 1 36 36 MET HE2 H 1 1.058 0.028 . 1 . . . . 311 MET HE . 17713 1 442 . 1 1 36 36 MET HE3 H 1 1.058 0.028 . 1 . . . . 311 MET HE . 17713 1 443 . 1 1 36 36 MET C C 13 175.64 0.002 . 1 . . . . 311 MET C . 17713 1 444 . 1 1 36 36 MET CA C 13 54.683 0.11 . 1 . . . . 311 MET CA . 17713 1 445 . 1 1 36 36 MET CB C 13 37.383 0.092 . 1 . . . . 311 MET CB . 17713 1 446 . 1 1 36 36 MET CG C 13 31.62 0.054 . 1 . . . . 311 MET CG . 17713 1 447 . 1 1 36 36 MET CE C 13 16.703 0.053 . 1 . . . . 311 MET CE . 17713 1 448 . 1 1 36 36 MET N N 15 122.482 0.046 . 1 . . . . 311 MET N . 17713 1 449 . 1 1 37 37 ARG H H 1 8.854 0.002 . 1 . . . . 312 ARG HN . 17713 1 450 . 1 1 37 37 ARG HA H 1 4.887 0.007 . 1 . . . . 312 ARG HA . 17713 1 451 . 1 1 37 37 ARG HB2 H 1 2.218 0.012 . 1 . . . . 312 ARG HB2 . 17713 1 452 . 1 1 37 37 ARG HB3 H 1 2.218 0.012 . 1 . . . . 312 ARG HB3 . 17713 1 453 . 1 1 37 37 ARG HG2 H 1 1.652 0.006 . 2 . . . . 312 ARG HG2 . 17713 1 454 . 1 1 37 37 ARG HG3 H 1 1.779 0.004 . 2 . . . . 312 ARG HG3 . 17713 1 455 . 1 1 37 37 ARG HD2 H 1 2.884 0.008 . 2 . . . . 312 ARG HD2 . 17713 1 456 . 1 1 37 37 ARG HD3 H 1 3.176 0.006 . 2 . . . . 312 ARG HD3 . 17713 1 457 . 1 1 37 37 ARG HE H 1 7.308 0.005 . 1 . . . . 312 ARG HE . 17713 1 458 . 1 1 37 37 ARG C C 13 176.227 0.2 . 1 . . . . 312 ARG C . 17713 1 459 . 1 1 37 37 ARG CA C 13 53.788 0.104 . 1 . . . . 312 ARG CA . 17713 1 460 . 1 1 37 37 ARG CB C 13 32.418 0.123 . 1 . . . . 312 ARG CB . 17713 1 461 . 1 1 37 37 ARG CG C 13 26.698 0.095 . 1 . . . . 312 ARG CG . 17713 1 462 . 1 1 37 37 ARG CD C 13 43.412 0.074 . 1 . . . . 312 ARG CD . 17713 1 463 . 1 1 37 37 ARG N N 15 118.976 0.036 . 1 . . . . 312 ARG N . 17713 1 464 . 1 1 37 37 ARG NE N 15 84.2 0.023 . 1 . . . . 312 ARG NE . 17713 1 465 . 1 1 38 38 TYR H H 1 8.935 0.003 . 1 . . . . 313 TYR HN . 17713 1 466 . 1 1 38 38 TYR HA H 1 5.947 0.009 . 1 . . . . 313 TYR HA . 17713 1 467 . 1 1 38 38 TYR HB2 H 1 2.837 0.011 . 2 . . . . 313 TYR HB2 . 17713 1 468 . 1 1 38 38 TYR HB3 H 1 3.204 0.008 . 2 . . . . 313 TYR HB3 . 17713 1 469 . 1 1 38 38 TYR HD1 H 1 6.716 0.004 . 1 . . . . 313 TYR HD1 . 17713 1 470 . 1 1 38 38 TYR HD2 H 1 6.716 0.004 . 1 . . . . 313 TYR HD2 . 17713 1 471 . 1 1 38 38 TYR HE1 H 1 6.547 0.005 . 1 . . . . 313 TYR HE1 . 17713 1 472 . 1 1 38 38 TYR HE2 H 1 6.547 0.005 . 1 . . . . 313 TYR HE2 . 17713 1 473 . 1 1 38 38 TYR C C 13 173.104 0.003 . 1 . . . . 313 TYR C . 17713 1 474 . 1 1 38 38 TYR CA C 13 57.126 0.082 . 1 . . . . 313 TYR CA . 17713 1 475 . 1 1 38 38 TYR CB C 13 42.51 0.113 . 1 . . . . 313 TYR CB . 17713 1 476 . 1 1 38 38 TYR CD1 C 13 133.075 0.025 . 1 . . . . 313 TYR CD1 . 17713 1 477 . 1 1 38 38 TYR CD2 C 13 133.075 0.025 . 1 . . . . 313 TYR CD2 . 17713 1 478 . 1 1 38 38 TYR CE1 C 13 117.642 0.06 . 1 . . . . 313 TYR CE1 . 17713 1 479 . 1 1 38 38 TYR CE2 C 13 117.642 0.06 . 1 . . . . 313 TYR CE2 . 17713 1 480 . 1 1 38 38 TYR N N 15 115.406 0.056 . 1 . . . . 313 TYR N . 17713 1 481 . 1 1 39 39 VAL H H 1 8.457 0.003 . 1 . . . . 314 VAL HN . 17713 1 482 . 1 1 39 39 VAL HA H 1 4.182 0.01 . 1 . . . . 314 VAL HA . 17713 1 483 . 1 1 39 39 VAL HB H 1 2.062 0.008 . 1 . . . . 314 VAL HB . 17713 1 484 . 1 1 39 39 VAL HG11 H 1 0.954 0.006 . 1 . . . . 314 VAL HG1 . 17713 1 485 . 1 1 39 39 VAL HG12 H 1 0.954 0.006 . 1 . . . . 314 VAL HG1 . 17713 1 486 . 1 1 39 39 VAL HG13 H 1 0.954 0.006 . 1 . . . . 314 VAL HG1 . 17713 1 487 . 1 1 39 39 VAL HG21 H 1 0.971 0.009 . 1 . . . . 314 VAL HG2 . 17713 1 488 . 1 1 39 39 VAL HG22 H 1 0.971 0.009 . 1 . . . . 314 VAL HG2 . 17713 1 489 . 1 1 39 39 VAL HG23 H 1 0.971 0.009 . 1 . . . . 314 VAL HG2 . 17713 1 490 . 1 1 39 39 VAL C C 13 174.868 0.004 . 1 . . . . 314 VAL C . 17713 1 491 . 1 1 39 39 VAL CA C 13 63.216 0.13 . 1 . . . . 314 VAL CA . 17713 1 492 . 1 1 39 39 VAL CB C 13 35.886 0.148 . 1 . . . . 314 VAL CB . 17713 1 493 . 1 1 39 39 VAL CG1 C 13 22.311 0.124 . 1 . . . . 314 VAL CG1 . 17713 1 494 . 1 1 39 39 VAL CG2 C 13 21.679 0.161 . 1 . . . . 314 VAL CG2 . 17713 1 495 . 1 1 39 39 VAL N N 15 118.76 0.105 . 1 . . . . 314 VAL N . 17713 1 496 . 1 1 40 40 GLY H H 1 8.993 0.002 . 1 . . . . 315 GLY HN . 17713 1 497 . 1 1 40 40 GLY HA2 H 1 2.169 0.002 . 2 . . . . 315 GLY HA2 . 17713 1 498 . 1 1 40 40 GLY HA3 H 1 4.345 0.004 . 2 . . . . 315 GLY HA3 . 17713 1 499 . 1 1 40 40 GLY C C 13 171.288 0.2 . 1 . . . . 315 GLY C . 17713 1 500 . 1 1 40 40 GLY CA C 13 45.541 0.059 . 1 . . . . 315 GLY CA . 17713 1 501 . 1 1 40 40 GLY N N 15 116.218 0.048 . 1 . . . . 315 GLY N . 17713 1 502 . 1 1 41 41 LYS H H 1 9.313 0.002 . 1 . . . . 316 LYS HN . 17713 1 503 . 1 1 41 41 LYS HA H 1 5.419 0.009 . 1 . . . . 316 LYS HA . 17713 1 504 . 1 1 41 41 LYS HB2 H 1 1.472 0.005 . 2 . . . . 316 LYS HB2 . 17713 1 505 . 1 1 41 41 LYS HB3 H 1 1.69 0.01 . 2 . . . . 316 LYS HB3 . 17713 1 506 . 1 1 41 41 LYS HG2 H 1 1.157 0.006 . 2 . . . . 316 LYS HG2 . 17713 1 507 . 1 1 41 41 LYS HG3 H 1 1.24 0.002 . 2 . . . . 316 LYS HG3 . 17713 1 508 . 1 1 41 41 LYS HD2 H 1 1.538 0.005 . 2 . . . . 316 LYS HD2 . 17713 1 509 . 1 1 41 41 LYS HD3 H 1 1.583 0.006 . 2 . . . . 316 LYS HD3 . 17713 1 510 . 1 1 41 41 LYS HE2 H 1 2.743 0.004 . 1 . . . . 316 LYS HE2 . 17713 1 511 . 1 1 41 41 LYS HE3 H 1 2.743 0.004 . 1 . . . . 316 LYS HE3 . 17713 1 512 . 1 1 41 41 LYS C C 13 176.407 0.004 . 1 . . . . 316 LYS C . 17713 1 513 . 1 1 41 41 LYS CA C 13 54.576 0.096 . 1 . . . . 316 LYS CA . 17713 1 514 . 1 1 41 41 LYS CB C 13 37.837 0.095 . 1 . . . . 316 LYS CB . 17713 1 515 . 1 1 41 41 LYS CG C 13 25.542 0.052 . 1 . . . . 316 LYS CG . 17713 1 516 . 1 1 41 41 LYS CD C 13 29.942 0.066 . 1 . . . . 316 LYS CD . 17713 1 517 . 1 1 41 41 LYS CE C 13 41.798 0.076 . 1 . . . . 316 LYS CE . 17713 1 518 . 1 1 41 41 LYS N N 15 125.034 0.089 . 1 . . . . 316 LYS N . 17713 1 519 . 1 1 42 42 LEU H H 1 8.45 0.002 . 1 . . . . 317 LEU HN . 17713 1 520 . 1 1 42 42 LEU HA H 1 4.821 0.007 . 1 . . . . 317 LEU HA . 17713 1 521 . 1 1 42 42 LEU HB2 H 1 1.876 0.011 . 2 . . . . 317 LEU HB2 . 17713 1 522 . 1 1 42 42 LEU HB3 H 1 2.219 0.014 . 2 . . . . 317 LEU HB3 . 17713 1 523 . 1 1 42 42 LEU HG H 1 2.005 0.005 . 1 . . . . 317 LEU HG . 17713 1 524 . 1 1 42 42 LEU HD11 H 1 1.108 0.004 . 1 . . . . 317 LEU HD1 . 17713 1 525 . 1 1 42 42 LEU HD12 H 1 1.108 0.004 . 1 . . . . 317 LEU HD1 . 17713 1 526 . 1 1 42 42 LEU HD13 H 1 1.108 0.004 . 1 . . . . 317 LEU HD1 . 17713 1 527 . 1 1 42 42 LEU HD21 H 1 0.86 0.005 . 1 . . . . 317 LEU HD2 . 17713 1 528 . 1 1 42 42 LEU HD22 H 1 0.86 0.005 . 1 . . . . 317 LEU HD2 . 17713 1 529 . 1 1 42 42 LEU HD23 H 1 0.86 0.005 . 1 . . . . 317 LEU HD2 . 17713 1 530 . 1 1 42 42 LEU C C 13 179.872 0.2 . 1 . . . . 317 LEU C . 17713 1 531 . 1 1 42 42 LEU CA C 13 53.461 0.115 . 1 . . . . 317 LEU CA . 17713 1 532 . 1 1 42 42 LEU CB C 13 42.281 0.109 . 1 . . . . 317 LEU CB . 17713 1 533 . 1 1 42 42 LEU CG C 13 27.798 0.103 . 1 . . . . 317 LEU CG . 17713 1 534 . 1 1 42 42 LEU CD1 C 13 25.895 0.06 . 1 . . . . 317 LEU CD1 . 17713 1 535 . 1 1 42 42 LEU CD2 C 13 22.579 0.047 . 1 . . . . 317 LEU CD2 . 17713 1 536 . 1 1 42 42 LEU N N 15 118.796 0.047 . 1 . . . . 317 LEU N . 17713 1 537 . 1 1 43 43 LYS H H 1 9.58 0.002 . 1 . . . . 318 LYS HN . 17713 1 538 . 1 1 43 43 LYS HA H 1 4.064 0.006 . 1 . . . . 318 LYS HA . 17713 1 539 . 1 1 43 43 LYS HB2 H 1 1.882 0.008 . 1 . . . . 318 LYS HB2 . 17713 1 540 . 1 1 43 43 LYS HB3 H 1 1.882 0.008 . 1 . . . . 318 LYS HB3 . 17713 1 541 . 1 1 43 43 LYS HG2 H 1 1.477 0.002 . 2 . . . . 318 LYS HG2 . 17713 1 542 . 1 1 43 43 LYS HG3 H 1 1.52 0.007 . 2 . . . . 318 LYS HG3 . 17713 1 543 . 1 1 43 43 LYS HD2 H 1 1.696 0.003 . 1 . . . . 318 LYS HD2 . 17713 1 544 . 1 1 43 43 LYS HD3 H 1 1.696 0.003 . 1 . . . . 318 LYS HD3 . 17713 1 545 . 1 1 43 43 LYS HE2 H 1 2.991 0.004 . 1 . . . . 318 LYS HE2 . 17713 1 546 . 1 1 43 43 LYS HE3 H 1 2.991 0.004 . 1 . . . . 318 LYS HE3 . 17713 1 547 . 1 1 43 43 LYS C C 13 177.432 0.2 . 1 . . . . 318 LYS C . 17713 1 548 . 1 1 43 43 LYS CA C 13 59.761 0.094 . 1 . . . . 318 LYS CA . 17713 1 549 . 1 1 43 43 LYS CB C 13 32.673 0.09 . 1 . . . . 318 LYS CB . 17713 1 550 . 1 1 43 43 LYS CG C 13 25.205 0.064 . 1 . . . . 318 LYS CG . 17713 1 551 . 1 1 43 43 LYS CD C 13 29.634 0.068 . 1 . . . . 318 LYS CD . 17713 1 552 . 1 1 43 43 LYS CE C 13 42.06 0.041 . 1 . . . . 318 LYS CE . 17713 1 553 . 1 1 43 43 LYS N N 15 124.461 0.029 . 1 . . . . 318 LYS N . 17713 1 554 . 1 1 44 44 ASN H H 1 7.718 0.002 . 1 . . . . 319 ASN HN . 17713 1 555 . 1 1 44 44 ASN HA H 1 4.507 0.005 . 1 . . . . 319 ASN HA . 17713 1 556 . 1 1 44 44 ASN HB2 H 1 2.812 0.007 . 2 . . . . 319 ASN HB2 . 17713 1 557 . 1 1 44 44 ASN HB3 H 1 3.255 0.01 . 2 . . . . 319 ASN HB3 . 17713 1 558 . 1 1 44 44 ASN HD21 H 1 6.494 0.002 . 2 . . . . 319 ASN HD21 . 17713 1 559 . 1 1 44 44 ASN HD22 H 1 7.395 0.001 . 2 . . . . 319 ASN HD22 . 17713 1 560 . 1 1 44 44 ASN C C 13 176.631 0.004 . 1 . . . . 319 ASN C . 17713 1 561 . 1 1 44 44 ASN CA C 13 52.663 0.075 . 1 . . . . 319 ASN CA . 17713 1 562 . 1 1 44 44 ASN CB C 13 37.287 0.065 . 1 . . . . 319 ASN CB . 17713 1 563 . 1 1 44 44 ASN N N 15 113.357 0.036 . 1 . . . . 319 ASN N . 17713 1 564 . 1 1 44 44 ASN ND2 N 15 107.354 0.143 . 1 . . . . 319 ASN ND2 . 17713 1 565 . 1 1 45 45 GLY H H 1 8.241 0.003 . 1 . . . . 320 GLY HN . 17713 1 566 . 1 1 45 45 GLY HA2 H 1 3.552 0.006 . 2 . . . . 320 GLY HA2 . 17713 1 567 . 1 1 45 45 GLY HA3 H 1 4.336 0.005 . 2 . . . . 320 GLY HA3 . 17713 1 568 . 1 1 45 45 GLY C C 13 173.908 0.2 . 1 . . . . 320 GLY C . 17713 1 569 . 1 1 45 45 GLY CA C 13 45.089 0.054 . 1 . . . . 320 GLY CA . 17713 1 570 . 1 1 45 45 GLY N N 15 108.331 0.028 . 1 . . . . 320 GLY N . 17713 1 571 . 1 1 46 46 LYS H H 1 7.853 0.003 . 1 . . . . 321 LYS HN . 17713 1 572 . 1 1 46 46 LYS HA H 1 4.141 0.008 . 1 . . . . 321 LYS HA . 17713 1 573 . 1 1 46 46 LYS HB2 H 1 1.841 0.005 . 2 . . . . 321 LYS HB2 . 17713 1 574 . 1 1 46 46 LYS HB3 H 1 1.874 0.003 . 2 . . . . 321 LYS HB3 . 17713 1 575 . 1 1 46 46 LYS HG2 H 1 1.34 0.018 . 2 . . . . 321 LYS HG2 . 17713 1 576 . 1 1 46 46 LYS HG3 H 1 1.418 0.009 . 2 . . . . 321 LYS HG3 . 17713 1 577 . 1 1 46 46 LYS HD2 H 1 1.667 0.009 . 2 . . . . 321 LYS HD2 . 17713 1 578 . 1 1 46 46 LYS HD3 H 1 1.739 0.011 . 2 . . . . 321 LYS HD3 . 17713 1 579 . 1 1 46 46 LYS HE2 H 1 2.994 0.004 . 1 . . . . 321 LYS HE2 . 17713 1 580 . 1 1 46 46 LYS HE3 H 1 2.994 0.004 . 1 . . . . 321 LYS HE3 . 17713 1 581 . 1 1 46 46 LYS C C 13 176.308 0.005 . 1 . . . . 321 LYS C . 17713 1 582 . 1 1 46 46 LYS CA C 13 57.079 0.075 . 1 . . . . 321 LYS CA . 17713 1 583 . 1 1 46 46 LYS CB C 13 32.947 0.127 . 1 . . . . 321 LYS CB . 17713 1 584 . 1 1 46 46 LYS CG C 13 25.255 0.095 . 1 . . . . 321 LYS CG . 17713 1 585 . 1 1 46 46 LYS CD C 13 29.419 0.037 . 1 . . . . 321 LYS CD . 17713 1 586 . 1 1 46 46 LYS CE C 13 42.263 0.055 . 1 . . . . 321 LYS CE . 17713 1 587 . 1 1 46 46 LYS N N 15 121.658 0.046 . 1 . . . . 321 LYS N . 17713 1 588 . 1 1 47 47 VAL H H 1 8.561 0.002 . 1 . . . . 322 VAL HN . 17713 1 589 . 1 1 47 47 VAL HA H 1 4.447 0.011 . 1 . . . . 322 VAL HA . 17713 1 590 . 1 1 47 47 VAL HB H 1 1.932 0.02 . 1 . . . . 322 VAL HB . 17713 1 591 . 1 1 47 47 VAL HG11 H 1 0.836 0.008 . 1 . . . . 322 VAL HG1 . 17713 1 592 . 1 1 47 47 VAL HG12 H 1 0.836 0.008 . 1 . . . . 322 VAL HG1 . 17713 1 593 . 1 1 47 47 VAL HG13 H 1 0.836 0.008 . 1 . . . . 322 VAL HG1 . 17713 1 594 . 1 1 47 47 VAL HG21 H 1 0.836 0.008 . 1 . . . . 322 VAL HG2 . 17713 1 595 . 1 1 47 47 VAL HG22 H 1 0.836 0.008 . 1 . . . . 322 VAL HG2 . 17713 1 596 . 1 1 47 47 VAL HG23 H 1 0.836 0.008 . 1 . . . . 322 VAL HG2 . 17713 1 597 . 1 1 47 47 VAL C C 13 177.098 0.003 . 1 . . . . 322 VAL C . 17713 1 598 . 1 1 47 47 VAL CA C 13 62.401 0.108 . 1 . . . . 322 VAL CA . 17713 1 599 . 1 1 47 47 VAL CB C 13 32.674 0.084 . 1 . . . . 322 VAL CB . 17713 1 600 . 1 1 47 47 VAL CG1 C 13 21.551 0.207 . 1 . . . . 322 VAL CG1 . 17713 1 601 . 1 1 47 47 VAL CG2 C 13 21.551 0.207 . 1 . . . . 322 VAL CG2 . 17713 1 602 . 1 1 47 47 VAL N N 15 126.528 0.052 . 1 . . . . 322 VAL N . 17713 1 603 . 1 1 48 48 PHE H H 1 8.309 0.002 . 1 . . . . 323 PHE HN . 17713 1 604 . 1 1 48 48 PHE HA H 1 5.069 0.008 . 1 . . . . 323 PHE HA . 17713 1 605 . 1 1 48 48 PHE HB2 H 1 2.704 0.012 . 2 . . . . 323 PHE HB2 . 17713 1 606 . 1 1 48 48 PHE HB3 H 1 3.311 0.012 . 2 . . . . 323 PHE HB3 . 17713 1 607 . 1 1 48 48 PHE HD1 H 1 7.035 0.003 . 1 . . . . 323 PHE HD1 . 17713 1 608 . 1 1 48 48 PHE HD2 H 1 7.035 0.003 . 1 . . . . 323 PHE HD2 . 17713 1 609 . 1 1 48 48 PHE HE1 H 1 7.282 0.007 . 1 . . . . 323 PHE HE1 . 17713 1 610 . 1 1 48 48 PHE HE2 H 1 7.282 0.007 . 1 . . . . 323 PHE HE2 . 17713 1 611 . 1 1 48 48 PHE HZ H 1 6.754 0.006 . 1 . . . . 323 PHE HZ . 17713 1 612 . 1 1 48 48 PHE C C 13 174.683 0.003 . 1 . . . . 323 PHE C . 17713 1 613 . 1 1 48 48 PHE CA C 13 56.231 0.086 . 1 . . . . 323 PHE CA . 17713 1 614 . 1 1 48 48 PHE CB C 13 41.106 0.177 . 1 . . . . 323 PHE CB . 17713 1 615 . 1 1 48 48 PHE CD1 C 13 132.776 0.073 . 1 . . . . 323 PHE CD1 . 17713 1 616 . 1 1 48 48 PHE CD2 C 13 132.776 0.073 . 1 . . . . 323 PHE CD2 . 17713 1 617 . 1 1 48 48 PHE CE1 C 13 130.983 0.2 . 1 . . . . 323 PHE CE1 . 17713 1 618 . 1 1 48 48 PHE CE2 C 13 130.983 0.2 . 1 . . . . 323 PHE CE2 . 17713 1 619 . 1 1 48 48 PHE CZ C 13 130.75 0.001 . 1 . . . . 323 PHE CZ . 17713 1 620 . 1 1 48 48 PHE N N 15 124.535 0.053 . 1 . . . . 323 PHE N . 17713 1 621 . 1 1 49 49 ASP H H 1 6.922 0.002 . 1 . . . . 324 ASP HN . 17713 1 622 . 1 1 49 49 ASP HA H 1 4.873 0.003 . 1 . . . . 324 ASP HA . 17713 1 623 . 1 1 49 49 ASP HB2 H 1 2.263 0.008 . 2 . . . . 324 ASP HB2 . 17713 1 624 . 1 1 49 49 ASP HB3 H 1 3.406 0.006 . 2 . . . . 324 ASP HB3 . 17713 1 625 . 1 1 49 49 ASP C C 13 172.943 0.2 . 1 . . . . 324 ASP C . 17713 1 626 . 1 1 49 49 ASP CA C 13 54.6 0.08 . 1 . . . . 324 ASP CA . 17713 1 627 . 1 1 49 49 ASP CB C 13 44.63 0.11 . 1 . . . . 324 ASP CB . 17713 1 628 . 1 1 49 49 ASP N N 15 119.808 0.039 . 1 . . . . 324 ASP N . 17713 1 629 . 1 1 50 50 LYS H H 1 8.078 0.003 . 1 . . . . 325 LYS HN . 17713 1 630 . 1 1 50 50 LYS HA H 1 4.411 0.015 . 1 . . . . 325 LYS HA . 17713 1 631 . 1 1 50 50 LYS HB2 H 1 1.847 0.003 . 2 . . . . 325 LYS HB2 . 17713 1 632 . 1 1 50 50 LYS HB3 H 1 1.936 0.008 . 2 . . . . 325 LYS HB3 . 17713 1 633 . 1 1 50 50 LYS HG2 H 1 1.21 0.003 . 2 . . . . 325 LYS HG2 . 17713 1 634 . 1 1 50 50 LYS HG3 H 1 1.373 0.006 . 2 . . . . 325 LYS HG3 . 17713 1 635 . 1 1 50 50 LYS HD2 H 1 1.591 0.002 . 1 . . . . 325 LYS HD2 . 17713 1 636 . 1 1 50 50 LYS HD3 H 1 1.591 0.002 . 1 . . . . 325 LYS HD3 . 17713 1 637 . 1 1 50 50 LYS HE2 H 1 2.936 0.005 . 1 . . . . 325 LYS HE2 . 17713 1 638 . 1 1 50 50 LYS HE3 H 1 2.936 0.005 . 1 . . . . 325 LYS HE3 . 17713 1 639 . 1 1 50 50 LYS C C 13 173.422 0.007 . 1 . . . . 325 LYS C . 17713 1 640 . 1 1 50 50 LYS CA C 13 55.561 0.037 . 1 . . . . 325 LYS CA . 17713 1 641 . 1 1 50 50 LYS CB C 13 35.521 0.104 . 1 . . . . 325 LYS CB . 17713 1 642 . 1 1 50 50 LYS CG C 13 23.042 0.069 . 1 . . . . 325 LYS CG . 17713 1 643 . 1 1 50 50 LYS CD C 13 29.991 0.075 . 1 . . . . 325 LYS CD . 17713 1 644 . 1 1 50 50 LYS CE C 13 42.252 0.078 . 1 . . . . 325 LYS CE . 17713 1 645 . 1 1 50 50 LYS N N 15 118.511 0.056 . 1 . . . . 325 LYS N . 17713 1 646 . 1 1 51 51 ASN H H 1 8.318 0.003 . 1 . . . . 326 ASN HN . 17713 1 647 . 1 1 51 51 ASN HA H 1 4.746 0.059 . 1 . . . . 326 ASN HA . 17713 1 648 . 1 1 51 51 ASN HB2 H 1 2.423 0.011 . 2 . . . . 326 ASN HB2 . 17713 1 649 . 1 1 51 51 ASN HB3 H 1 2.677 0.018 . 2 . . . . 326 ASN HB3 . 17713 1 650 . 1 1 51 51 ASN HD21 H 1 7.262 0.005 . 2 . . . . 326 ASN HD21 . 17713 1 651 . 1 1 51 51 ASN HD22 H 1 7.704 0.001 . 2 . . . . 326 ASN HD22 . 17713 1 652 . 1 1 51 51 ASN C C 13 174.632 0.074 . 1 . . . . 326 ASN C . 17713 1 653 . 1 1 51 51 ASN CA C 13 53.906 0.079 . 1 . . . . 326 ASN CA . 17713 1 654 . 1 1 51 51 ASN CB C 13 40.762 0.077 . 1 . . . . 326 ASN CB . 17713 1 655 . 1 1 51 51 ASN CG C 13 175.161 0.2 . 1 . . . . 326 ASN CG . 17713 1 656 . 1 1 51 51 ASN N N 15 118.207 0.047 . 1 . . . . 326 ASN N . 17713 1 657 . 1 1 51 51 ASN ND2 N 15 111.347 0.216 . 1 . . . . 326 ASN ND2 . 17713 1 658 . 1 1 52 52 THR H H 1 8.754 0.003 . 1 . . . . 327 THR HN . 17713 1 659 . 1 1 52 52 THR HA H 1 4.366 0.012 . 1 . . . . 327 THR HA . 17713 1 660 . 1 1 52 52 THR HB H 1 4.269 0.003 . 1 . . . . 327 THR HB . 17713 1 661 . 1 1 52 52 THR HG21 H 1 1.074 0.004 . 1 . . . . 327 THR HG2 . 17713 1 662 . 1 1 52 52 THR HG22 H 1 1.074 0.004 . 1 . . . . 327 THR HG2 . 17713 1 663 . 1 1 52 52 THR HG23 H 1 1.074 0.004 . 1 . . . . 327 THR HG2 . 17713 1 664 . 1 1 52 52 THR C C 13 173.873 0.006 . 1 . . . . 327 THR C . 17713 1 665 . 1 1 52 52 THR CA C 13 62.04 0.109 . 1 . . . . 327 THR CA . 17713 1 666 . 1 1 52 52 THR CB C 13 70.217 0.101 . 1 . . . . 327 THR CB . 17713 1 667 . 1 1 52 52 THR CG2 C 13 22.267 0.041 . 1 . . . . 327 THR CG2 . 17713 1 668 . 1 1 52 52 THR N N 15 113.614 0.056 . 1 . . . . 327 THR N . 17713 1 669 . 1 1 53 53 LYS H H 1 7.982 0.003 . 1 . . . . 328 LYS HN . 17713 1 670 . 1 1 53 53 LYS HA H 1 4.457 0.006 . 1 . . . . 328 LYS HA . 17713 1 671 . 1 1 53 53 LYS HB2 H 1 1.758 0.007 . 2 . . . . 328 LYS HB2 . 17713 1 672 . 1 1 53 53 LYS HB3 H 1 1.923 0.005 . 2 . . . . 328 LYS HB3 . 17713 1 673 . 1 1 53 53 LYS HG2 H 1 1.283 0.005 . 2 . . . . 328 LYS HG2 . 17713 1 674 . 1 1 53 53 LYS HG3 H 1 1.383 0.008 . 2 . . . . 328 LYS HG3 . 17713 1 675 . 1 1 53 53 LYS HD2 H 1 1.616 0.004 . 1 . . . . 328 LYS HD2 . 17713 1 676 . 1 1 53 53 LYS HD3 H 1 1.616 0.004 . 1 . . . . 328 LYS HD3 . 17713 1 677 . 1 1 53 53 LYS HE2 H 1 2.94 0.006 . 1 . . . . 328 LYS HE2 . 17713 1 678 . 1 1 53 53 LYS HE3 H 1 2.94 0.006 . 1 . . . . 328 LYS HE3 . 17713 1 679 . 1 1 53 53 LYS C C 13 175.504 0.017 . 1 . . . . 328 LYS C . 17713 1 680 . 1 1 53 53 LYS CA C 13 55.637 0.067 . 1 . . . . 328 LYS CA . 17713 1 681 . 1 1 53 53 LYS CB C 13 34.058 0.054 . 1 . . . . 328 LYS CB . 17713 1 682 . 1 1 53 53 LYS CG C 13 23.718 0.073 . 1 . . . . 328 LYS CG . 17713 1 683 . 1 1 53 53 LYS CD C 13 29.454 0.081 . 1 . . . . 328 LYS CD . 17713 1 684 . 1 1 53 53 LYS CE C 13 42.251 0.126 . 1 . . . . 328 LYS CE . 17713 1 685 . 1 1 53 53 LYS N N 15 121.009 0.045 . 1 . . . . 328 LYS N . 17713 1 686 . 1 1 54 54 GLY H H 1 8.634 0.002 . 1 . . . . 329 GLY HN . 17713 1 687 . 1 1 54 54 GLY HA2 H 1 3.857 0.005 . 2 . . . . 329 GLY HA2 . 17713 1 688 . 1 1 54 54 GLY HA3 H 1 4.12 0.006 . 2 . . . . 329 GLY HA3 . 17713 1 689 . 1 1 54 54 GLY C C 13 175.363 0.2 . 1 . . . . 329 GLY C . 17713 1 690 . 1 1 54 54 GLY CA C 13 44.698 0.056 . 1 . . . . 329 GLY CA . 17713 1 691 . 1 1 54 54 GLY N N 15 109.016 0.019 . 1 . . . . 329 GLY N . 17713 1 692 . 1 1 55 55 LYS H H 1 8.787 0.003 . 1 . . . . 330 LYS HN . 17713 1 693 . 1 1 55 55 LYS HA H 1 4.567 0.007 . 1 . . . . 330 LYS HA . 17713 1 694 . 1 1 55 55 LYS HB2 H 1 1.795 0.008 . 2 . . . . 330 LYS HB2 . 17713 1 695 . 1 1 55 55 LYS HB3 H 1 1.909 0.005 . 2 . . . . 330 LYS HB3 . 17713 1 696 . 1 1 55 55 LYS HG2 H 1 1.328 0.003 . 2 . . . . 330 LYS HG2 . 17713 1 697 . 1 1 55 55 LYS HG3 H 1 1.39 0.001 . 2 . . . . 330 LYS HG3 . 17713 1 698 . 1 1 55 55 LYS HD2 H 1 1.655 0.002 . 2 . . . . 330 LYS HD2 . 17713 1 699 . 1 1 55 55 LYS HD3 H 1 1.743 0.002 . 2 . . . . 330 LYS HD3 . 17713 1 700 . 1 1 55 55 LYS HE2 H 1 2.943 0.003 . 2 . . . . 330 LYS HE2 . 17713 1 701 . 1 1 55 55 LYS HE3 H 1 3.032 0.003 . 2 . . . . 330 LYS HE3 . 17713 1 702 . 1 1 55 55 LYS C C 13 175.193 0.2 . 1 . . . . 330 LYS C . 17713 1 703 . 1 1 55 55 LYS CA C 13 55.449 0.124 . 1 . . . . 330 LYS CA . 17713 1 704 . 1 1 55 55 LYS CB C 13 32.147 0.051 . 1 . . . . 330 LYS CB . 17713 1 705 . 1 1 55 55 LYS CG C 13 25.214 0.063 . 1 . . . . 330 LYS CG . 17713 1 706 . 1 1 55 55 LYS CD C 13 29.43 0.042 . 1 . . . . 330 LYS CD . 17713 1 707 . 1 1 55 55 LYS CE C 13 42.162 0.063 . 1 . . . . 330 LYS CE . 17713 1 708 . 1 1 55 55 LYS N N 15 126.552 0.058 . 1 . . . . 330 LYS N . 17713 1 709 . 1 1 56 56 PRO HA H 1 4.408 0.007 . 1 . . . . 331 PRO HA . 17713 1 710 . 1 1 56 56 PRO HB2 H 1 1.598 0.004 . 2 . . . . 331 PRO HB2 . 17713 1 711 . 1 1 56 56 PRO HB3 H 1 1.78 0.006 . 2 . . . . 331 PRO HB3 . 17713 1 712 . 1 1 56 56 PRO HG2 H 1 1.69 0.01 . 2 . . . . 331 PRO HG2 . 17713 1 713 . 1 1 56 56 PRO HG3 H 1 1.892 0.009 . 2 . . . . 331 PRO HG3 . 17713 1 714 . 1 1 56 56 PRO HD2 H 1 3.603 0.01 . 2 . . . . 331 PRO HD2 . 17713 1 715 . 1 1 56 56 PRO HD3 H 1 3.944 0.008 . 2 . . . . 331 PRO HD3 . 17713 1 716 . 1 1 56 56 PRO C C 13 174.492 0.009 . 1 . . . . 331 PRO C . 17713 1 717 . 1 1 56 56 PRO CA C 13 62.807 0.085 . 1 . . . . 331 PRO CA . 17713 1 718 . 1 1 56 56 PRO CB C 13 31.931 0.116 . 1 . . . . 331 PRO CB . 17713 1 719 . 1 1 56 56 PRO CG C 13 27.621 0.05 . 1 . . . . 331 PRO CG . 17713 1 720 . 1 1 56 56 PRO CD C 13 50.823 0.116 . 1 . . . . 331 PRO CD . 17713 1 721 . 1 1 57 57 PHE H H 1 8.565 0.004 . 1 . . . . 332 PHE HN . 17713 1 722 . 1 1 57 57 PHE HA H 1 4.729 0.013 . 1 . . . . 332 PHE HA . 17713 1 723 . 1 1 57 57 PHE HB2 H 1 3.239 0.008 . 2 . . . . 332 PHE HB2 . 17713 1 724 . 1 1 57 57 PHE HB3 H 1 3.449 0.005 . 2 . . . . 332 PHE HB3 . 17713 1 725 . 1 1 57 57 PHE HD1 H 1 7.304 0.007 . 1 . . . . 332 PHE HD1 . 17713 1 726 . 1 1 57 57 PHE HD2 H 1 7.304 0.007 . 1 . . . . 332 PHE HD2 . 17713 1 727 . 1 1 57 57 PHE HE1 H 1 7.005 0.009 . 1 . . . . 332 PHE HE1 . 17713 1 728 . 1 1 57 57 PHE HE2 H 1 7.005 0.009 . 1 . . . . 332 PHE HE2 . 17713 1 729 . 1 1 57 57 PHE HZ H 1 7.096 0.012 . 1 . . . . 332 PHE HZ . 17713 1 730 . 1 1 57 57 PHE C C 13 174.673 0.013 . 1 . . . . 332 PHE C . 17713 1 731 . 1 1 57 57 PHE CA C 13 58.315 0.066 . 1 . . . . 332 PHE CA . 17713 1 732 . 1 1 57 57 PHE CB C 13 40.425 0.106 . 1 . . . . 332 PHE CB . 17713 1 733 . 1 1 57 57 PHE CD1 C 13 131.867 0.037 . 1 . . . . 332 PHE CD1 . 17713 1 734 . 1 1 57 57 PHE CD2 C 13 131.867 0.037 . 1 . . . . 332 PHE CD2 . 17713 1 735 . 1 1 57 57 PHE CE1 C 13 131.654 0.097 . 1 . . . . 332 PHE CE1 . 17713 1 736 . 1 1 57 57 PHE CE2 C 13 131.654 0.097 . 1 . . . . 332 PHE CE2 . 17713 1 737 . 1 1 57 57 PHE CZ C 13 129.945 0.074 . 1 . . . . 332 PHE CZ . 17713 1 738 . 1 1 57 57 PHE N N 15 123.424 0.042 . 1 . . . . 332 PHE N . 17713 1 739 . 1 1 58 58 VAL H H 1 7.821 0.003 . 1 . . . . 333 VAL HN . 17713 1 740 . 1 1 58 58 VAL HA H 1 5.651 0.008 . 1 . . . . 333 VAL HA . 17713 1 741 . 1 1 58 58 VAL HB H 1 1.662 0.005 . 1 . . . . 333 VAL HB . 17713 1 742 . 1 1 58 58 VAL HG11 H 1 0.638 0.005 . 1 . . . . 333 VAL HG1 . 17713 1 743 . 1 1 58 58 VAL HG12 H 1 0.638 0.005 . 1 . . . . 333 VAL HG1 . 17713 1 744 . 1 1 58 58 VAL HG13 H 1 0.638 0.005 . 1 . . . . 333 VAL HG1 . 17713 1 745 . 1 1 58 58 VAL HG21 H 1 0.757 0.003 . 1 . . . . 333 VAL HG2 . 17713 1 746 . 1 1 58 58 VAL HG22 H 1 0.757 0.003 . 1 . . . . 333 VAL HG2 . 17713 1 747 . 1 1 58 58 VAL HG23 H 1 0.757 0.003 . 1 . . . . 333 VAL HG2 . 17713 1 748 . 1 1 58 58 VAL C C 13 175.395 0.001 . 1 . . . . 333 VAL C . 17713 1 749 . 1 1 58 58 VAL CA C 13 59.688 0.104 . 1 . . . . 333 VAL CA . 17713 1 750 . 1 1 58 58 VAL CB C 13 34.173 0.11 . 1 . . . . 333 VAL CB . 17713 1 751 . 1 1 58 58 VAL CG1 C 13 21.134 0.075 . 1 . . . . 333 VAL CG1 . 17713 1 752 . 1 1 58 58 VAL CG2 C 13 21.159 0.037 . 1 . . . . 333 VAL CG2 . 17713 1 753 . 1 1 58 58 VAL N N 15 129.16 0.07 . 1 . . . . 333 VAL N . 17713 1 754 . 1 1 59 59 PHE H H 1 8.467 0.004 . 1 . . . . 334 PHE HN . 17713 1 755 . 1 1 59 59 PHE HA H 1 4.711 0.01 . 1 . . . . 334 PHE HA . 17713 1 756 . 1 1 59 59 PHE HB2 H 1 2.957 0.01 . 2 . . . . 334 PHE HB2 . 17713 1 757 . 1 1 59 59 PHE HB3 H 1 3.035 0.007 . 2 . . . . 334 PHE HB3 . 17713 1 758 . 1 1 59 59 PHE HD1 H 1 6.82 0.006 . 1 . . . . 334 PHE HD1 . 17713 1 759 . 1 1 59 59 PHE HD2 H 1 6.82 0.006 . 1 . . . . 334 PHE HD2 . 17713 1 760 . 1 1 59 59 PHE HE1 H 1 7.134 0.007 . 1 . . . . 334 PHE HE1 . 17713 1 761 . 1 1 59 59 PHE HE2 H 1 7.134 0.007 . 1 . . . . 334 PHE HE2 . 17713 1 762 . 1 1 59 59 PHE HZ H 1 6.707 0.005 . 1 . . . . 334 PHE HZ . 17713 1 763 . 1 1 59 59 PHE C C 13 171.372 0.011 . 1 . . . . 334 PHE C . 17713 1 764 . 1 1 59 59 PHE CA C 13 55.66 0.106 . 1 . . . . 334 PHE CA . 17713 1 765 . 1 1 59 59 PHE CB C 13 40.892 0.094 . 1 . . . . 334 PHE CB . 17713 1 766 . 1 1 59 59 PHE CD1 C 13 132.95 0.024 . 1 . . . . 334 PHE CD1 . 17713 1 767 . 1 1 59 59 PHE CD2 C 13 132.95 0.024 . 1 . . . . 334 PHE CD2 . 17713 1 768 . 1 1 59 59 PHE CE1 C 13 131.313 0.032 . 1 . . . . 334 PHE CE1 . 17713 1 769 . 1 1 59 59 PHE CE2 C 13 131.313 0.032 . 1 . . . . 334 PHE CE2 . 17713 1 770 . 1 1 59 59 PHE CZ C 13 128.341 0.2 . 1 . . . . 334 PHE CZ . 17713 1 771 . 1 1 59 59 PHE N N 15 122.091 0.028 . 1 . . . . 334 PHE N . 17713 1 772 . 1 1 60 60 LYS H H 1 8.788 0.002 . 1 . . . . 335 LYS HN . 17713 1 773 . 1 1 60 60 LYS HA H 1 4.685 0.007 . 1 . . . . 335 LYS HA . 17713 1 774 . 1 1 60 60 LYS HB2 H 1 1.517 0.01 . 2 . . . . 335 LYS HB2 . 17713 1 775 . 1 1 60 60 LYS HB3 H 1 1.681 0.009 . 2 . . . . 335 LYS HB3 . 17713 1 776 . 1 1 60 60 LYS HG2 H 1 1.058 0.004 . 2 . . . . 335 LYS HG2 . 17713 1 777 . 1 1 60 60 LYS HG3 H 1 1.133 0.004 . 2 . . . . 335 LYS HG3 . 17713 1 778 . 1 1 60 60 LYS HD2 H 1 1.662 0.007 . 2 . . . . 335 LYS HD2 . 17713 1 779 . 1 1 60 60 LYS HD3 H 1 1.7 0.006 . 2 . . . . 335 LYS HD3 . 17713 1 780 . 1 1 60 60 LYS HE2 H 1 2.896 0.005 . 2 . . . . 335 LYS HE2 . 17713 1 781 . 1 1 60 60 LYS HE3 H 1 2.979 0.002 . 2 . . . . 335 LYS HE3 . 17713 1 782 . 1 1 60 60 LYS C C 13 175.873 0.013 . 1 . . . . 335 LYS C . 17713 1 783 . 1 1 60 60 LYS CA C 13 54.755 0.116 . 1 . . . . 335 LYS CA . 17713 1 784 . 1 1 60 60 LYS CB C 13 33.331 0.086 . 1 . . . . 335 LYS CB . 17713 1 785 . 1 1 60 60 LYS CG C 13 25.432 0.077 . 1 . . . . 335 LYS CG . 17713 1 786 . 1 1 60 60 LYS CD C 13 29.473 0.117 . 1 . . . . 335 LYS CD . 17713 1 787 . 1 1 60 60 LYS CE C 13 41.814 0.058 . 1 . . . . 335 LYS CE . 17713 1 788 . 1 1 60 60 LYS N N 15 121.325 0.104 . 1 . . . . 335 LYS N . 17713 1 789 . 1 1 61 61 LEU H H 1 8.591 0.002 . 1 . . . . 336 LEU HN . 17713 1 790 . 1 1 61 61 LEU HA H 1 4.23 0.008 . 1 . . . . 336 LEU HA . 17713 1 791 . 1 1 61 61 LEU HB2 H 1 1.469 0.006 . 2 . . . . 336 LEU HB2 . 17713 1 792 . 1 1 61 61 LEU HB3 H 1 1.874 0.008 . 2 . . . . 336 LEU HB3 . 17713 1 793 . 1 1 61 61 LEU HG H 1 1.681 0.007 . 1 . . . . 336 LEU HG . 17713 1 794 . 1 1 61 61 LEU HD11 H 1 0.915 0.008 . 1 . . . . 336 LEU HD1 . 17713 1 795 . 1 1 61 61 LEU HD12 H 1 0.915 0.008 . 1 . . . . 336 LEU HD1 . 17713 1 796 . 1 1 61 61 LEU HD13 H 1 0.915 0.008 . 1 . . . . 336 LEU HD1 . 17713 1 797 . 1 1 61 61 LEU HD21 H 1 0.726 0.005 . 1 . . . . 336 LEU HD2 . 17713 1 798 . 1 1 61 61 LEU HD22 H 1 0.726 0.005 . 1 . . . . 336 LEU HD2 . 17713 1 799 . 1 1 61 61 LEU HD23 H 1 0.726 0.005 . 1 . . . . 336 LEU HD2 . 17713 1 800 . 1 1 61 61 LEU C C 13 179.168 0.001 . 1 . . . . 336 LEU C . 17713 1 801 . 1 1 61 61 LEU CA C 13 57.544 0.118 . 1 . . . . 336 LEU CA . 17713 1 802 . 1 1 61 61 LEU CB C 13 42.142 0.087 . 1 . . . . 336 LEU CB . 17713 1 803 . 1 1 61 61 LEU CG C 13 28.562 0.1 . 1 . . . . 336 LEU CG . 17713 1 804 . 1 1 61 61 LEU CD1 C 13 26.669 0.042 . 1 . . . . 336 LEU CD1 . 17713 1 805 . 1 1 61 61 LEU CD2 C 13 25.916 0.17 . 1 . . . . 336 LEU CD2 . 17713 1 806 . 1 1 61 61 LEU N N 15 129.539 0.051 . 1 . . . . 336 LEU N . 17713 1 807 . 1 1 62 62 GLY H H 1 9.885 0.003 . 1 . . . . 337 GLY HN . 17713 1 808 . 1 1 62 62 GLY HA2 H 1 3.788 0.007 . 2 . . . . 337 GLY HA2 . 17713 1 809 . 1 1 62 62 GLY HA3 H 1 4.09 0.015 . 2 . . . . 337 GLY HA3 . 17713 1 810 . 1 1 62 62 GLY C C 13 174.071 0.2 . 1 . . . . 337 GLY C . 17713 1 811 . 1 1 62 62 GLY CA C 13 46.549 0.058 . 1 . . . . 337 GLY CA . 17713 1 812 . 1 1 62 62 GLY N N 15 115.39 0.072 . 1 . . . . 337 GLY N . 17713 1 813 . 1 1 63 63 GLN H H 1 8.087 0.005 . 1 . . . . 338 GLN H . 17713 1 814 . 1 1 63 63 GLN HA H 1 4.582 0.009 . 1 . . . . 338 GLN HA . 17713 1 815 . 1 1 63 63 GLN HB2 H 1 1.92 0.01 . 2 . . . . 338 GLN HB2 . 17713 1 816 . 1 1 63 63 GLN HB3 H 1 2.447 0.009 . 2 . . . . 338 GLN HB3 . 17713 1 817 . 1 1 63 63 GLN HG2 H 1 2.196 0.005 . 2 . . . . 338 GLN HG2 . 17713 1 818 . 1 1 63 63 GLN HG3 H 1 2.387 0.01 . 2 . . . . 338 GLN HG3 . 17713 1 819 . 1 1 63 63 GLN HE21 H 1 7.037 0.002 . 2 . . . . 338 GLN HE21 . 17713 1 820 . 1 1 63 63 GLN HE22 H 1 7.538 0.002 . 2 . . . . 338 GLN HE22 . 17713 1 821 . 1 1 63 63 GLN C C 13 176.065 0.003 . 1 . . . . 338 GLN C . 17713 1 822 . 1 1 63 63 GLN CA C 13 54.467 0.054 . 1 . . . . 338 GLN CA . 17713 1 823 . 1 1 63 63 GLN CB C 13 30.361 0.073 . 1 . . . . 338 GLN CB . 17713 1 824 . 1 1 63 63 GLN CG C 13 34.15 0.043 . 1 . . . . 338 GLN CG . 17713 1 825 . 1 1 63 63 GLN CD C 13 179.851 0.015 . 1 . . . . 338 GLN CD . 17713 1 826 . 1 1 63 63 GLN N N 15 117.275 0.073 . 1 . . . . 338 GLN N . 17713 1 827 . 1 1 63 63 GLN NE2 N 15 112.472 0.202 . 1 . . . . 338 GLN NE2 . 17713 1 828 . 1 1 64 64 GLY H H 1 8.947 0.003 . 1 . . . . 339 GLY HN . 17713 1 829 . 1 1 64 64 GLY HA2 H 1 4.096 0.017 . 1 . . . . 339 GLY HA2 . 17713 1 830 . 1 1 64 64 GLY HA3 H 1 4.096 0.017 . 1 . . . . 339 GLY HA3 . 17713 1 831 . 1 1 64 64 GLY C C 13 175.823 0.2 . 1 . . . . 339 GLY C . 17713 1 832 . 1 1 64 64 GLY CA C 13 46.548 0.055 . 1 . . . . 339 GLY CA . 17713 1 833 . 1 1 64 64 GLY N N 15 111.022 0.05 . 1 . . . . 339 GLY N . 17713 1 834 . 1 1 65 65 GLU H H 1 9.198 0.002 . 1 . . . . 340 GLU HN . 17713 1 835 . 1 1 65 65 GLU HA H 1 4.221 0.009 . 1 . . . . 340 GLU HA . 17713 1 836 . 1 1 65 65 GLU HB2 H 1 2.224 0.024 . 1 . . . . 340 GLU HB2 . 17713 1 837 . 1 1 65 65 GLU HB3 H 1 2.224 0.024 . 1 . . . . 340 GLU HB3 . 17713 1 838 . 1 1 65 65 GLU HG2 H 1 2.338 0.009 . 1 . . . . 340 GLU HG2 . 17713 1 839 . 1 1 65 65 GLU HG3 H 1 2.338 0.009 . 1 . . . . 340 GLU HG3 . 17713 1 840 . 1 1 65 65 GLU C C 13 175.472 0.003 . 1 . . . . 340 GLU C . 17713 1 841 . 1 1 65 65 GLU CA C 13 57.594 0.083 . 1 . . . . 340 GLU CA . 17713 1 842 . 1 1 65 65 GLU CB C 13 31.023 0.064 . 1 . . . . 340 GLU CB . 17713 1 843 . 1 1 65 65 GLU CG C 13 37.394 0.055 . 1 . . . . 340 GLU CG . 17713 1 844 . 1 1 65 65 GLU N N 15 118.968 0.031 . 1 . . . . 340 GLU N . 17713 1 845 . 1 1 66 66 VAL H H 1 6.893 0.002 . 1 . . . . 341 VAL HN . 17713 1 846 . 1 1 66 66 VAL HA H 1 4.362 0.007 . 1 . . . . 341 VAL HA . 17713 1 847 . 1 1 66 66 VAL HB H 1 1.74 0.005 . 1 . . . . 341 VAL HB . 17713 1 848 . 1 1 66 66 VAL HG11 H 1 0.177 0.006 . 1 . . . . 341 VAL HG1 . 17713 1 849 . 1 1 66 66 VAL HG12 H 1 0.177 0.006 . 1 . . . . 341 VAL HG1 . 17713 1 850 . 1 1 66 66 VAL HG13 H 1 0.177 0.006 . 1 . . . . 341 VAL HG1 . 17713 1 851 . 1 1 66 66 VAL HG21 H 1 0.336 0.005 . 1 . . . . 341 VAL HG2 . 17713 1 852 . 1 1 66 66 VAL HG22 H 1 0.336 0.005 . 1 . . . . 341 VAL HG2 . 17713 1 853 . 1 1 66 66 VAL HG23 H 1 0.336 0.005 . 1 . . . . 341 VAL HG2 . 17713 1 854 . 1 1 66 66 VAL C C 13 175.638 0.002 . 1 . . . . 341 VAL C . 17713 1 855 . 1 1 66 66 VAL CA C 13 58.116 0.119 . 1 . . . . 341 VAL CA . 17713 1 856 . 1 1 66 66 VAL CB C 13 36.608 0.121 . 1 . . . . 341 VAL CB . 17713 1 857 . 1 1 66 66 VAL CG1 C 13 21.856 0.052 . 1 . . . . 341 VAL CG1 . 17713 1 858 . 1 1 66 66 VAL CG2 C 13 18.612 0.123 . 1 . . . . 341 VAL CG2 . 17713 1 859 . 1 1 66 66 VAL N N 15 108.972 0.032 . 1 . . . . 341 VAL N . 17713 1 860 . 1 1 67 67 ILE H H 1 7.542 0.004 . 1 . . . . 342 ILE HN . 17713 1 861 . 1 1 67 67 ILE HA H 1 3.895 0.007 . 1 . . . . 342 ILE HA . 17713 1 862 . 1 1 67 67 ILE HB H 1 1.875 0.009 . 1 . . . . 342 ILE HB . 17713 1 863 . 1 1 67 67 ILE HG12 H 1 0.477 0.019 . 2 . . . . 342 ILE HG12 . 17713 1 864 . 1 1 67 67 ILE HG13 H 1 1.018 0.008 . 2 . . . . 342 ILE HG13 . 17713 1 865 . 1 1 67 67 ILE HG21 H 1 0.143 0.006 . 1 . . . . 342 ILE HG2 . 17713 1 866 . 1 1 67 67 ILE HG22 H 1 0.143 0.006 . 1 . . . . 342 ILE HG2 . 17713 1 867 . 1 1 67 67 ILE HG23 H 1 0.143 0.006 . 1 . . . . 342 ILE HG2 . 17713 1 868 . 1 1 67 67 ILE HD11 H 1 0.344 0.032 . 1 . . . . 342 ILE HD1 . 17713 1 869 . 1 1 67 67 ILE HD12 H 1 0.344 0.032 . 1 . . . . 342 ILE HD1 . 17713 1 870 . 1 1 67 67 ILE HD13 H 1 0.344 0.032 . 1 . . . . 342 ILE HD1 . 17713 1 871 . 1 1 67 67 ILE C C 13 177.391 0.003 . 1 . . . . 342 ILE C . 17713 1 872 . 1 1 67 67 ILE CA C 13 62.257 0.072 . 1 . . . . 342 ILE CA . 17713 1 873 . 1 1 67 67 ILE CB C 13 38.597 0.12 . 1 . . . . 342 ILE CB . 17713 1 874 . 1 1 67 67 ILE CG1 C 13 25.032 0.079 . 1 . . . . 342 ILE CG1 . 17713 1 875 . 1 1 67 67 ILE CG2 C 13 18.202 0.041 . 1 . . . . 342 ILE CG2 . 17713 1 876 . 1 1 67 67 ILE CD1 C 13 14.601 0.173 . 1 . . . . 342 ILE CD1 . 17713 1 877 . 1 1 67 67 ILE N N 15 113.04 0.049 . 1 . . . . 342 ILE N . 17713 1 878 . 1 1 68 68 LYS H H 1 8.803 0.003 . 1 . . . . 343 LYS HN . 17713 1 879 . 1 1 68 68 LYS HA H 1 4.228 0.011 . 1 . . . . 343 LYS HA . 17713 1 880 . 1 1 68 68 LYS HB2 H 1 1.828 0.005 . 1 . . . . 343 LYS HB2 . 17713 1 881 . 1 1 68 68 LYS HB3 H 1 1.828 0.005 . 1 . . . . 343 LYS HB3 . 17713 1 882 . 1 1 68 68 LYS HG2 H 1 1.556 0.003 . 2 . . . . 343 LYS HG2 . 17713 1 883 . 1 1 68 68 LYS HG3 H 1 1.599 0.003 . 2 . . . . 343 LYS HG3 . 17713 1 884 . 1 1 68 68 LYS HD2 H 1 1.583 0.005 . 1 . . . . 343 LYS HD2 . 17713 1 885 . 1 1 68 68 LYS HD3 H 1 1.583 0.005 . 1 . . . . 343 LYS HD3 . 17713 1 886 . 1 1 68 68 LYS HE2 H 1 2.831 0.004 . 2 . . . . 343 LYS HE2 . 17713 1 887 . 1 1 68 68 LYS HE3 H 1 2.885 0.006 . 2 . . . . 343 LYS HE3 . 17713 1 888 . 1 1 68 68 LYS C C 13 179.898 0.001 . 1 . . . . 343 LYS C . 17713 1 889 . 1 1 68 68 LYS CA C 13 59.831 0.094 . 1 . . . . 343 LYS CA . 17713 1 890 . 1 1 68 68 LYS CB C 13 33.188 0.118 . 1 . . . . 343 LYS CB . 17713 1 891 . 1 1 68 68 LYS CG C 13 25.583 0.076 . 1 . . . . 343 LYS CG . 17713 1 892 . 1 1 68 68 LYS CD C 13 29.322 0.045 . 1 . . . . 343 LYS CD . 17713 1 893 . 1 1 68 68 LYS CE C 13 41.815 0.092 . 1 . . . . 343 LYS CE . 17713 1 894 . 1 1 68 68 LYS N N 15 124.357 0.043 . 1 . . . . 343 LYS N . 17713 1 895 . 1 1 69 69 GLY H H 1 9.337 0.002 . 1 . . . . 344 GLY HN . 17713 1 896 . 1 1 69 69 GLY HA2 H 1 3.697 0.013 . 2 . . . . 344 GLY HA2 . 17713 1 897 . 1 1 69 69 GLY HA3 H 1 4.033 0.009 . 2 . . . . 344 GLY HA3 . 17713 1 898 . 1 1 69 69 GLY C C 13 175.485 0.2 . 1 . . . . 344 GLY C . 17713 1 899 . 1 1 69 69 GLY CA C 13 47.619 0.113 . 1 . . . . 344 GLY CA . 17713 1 900 . 1 1 69 69 GLY N N 15 100.344 0.041 . 1 . . . . 344 GLY N . 17713 1 901 . 1 1 70 70 TRP H H 1 7.662 0.002 . 1 . . . . 345 TRP HN . 17713 1 902 . 1 1 70 70 TRP HA H 1 4.455 0.009 . 1 . . . . 345 TRP HA . 17713 1 903 . 1 1 70 70 TRP HB2 H 1 2.769 0.006 . 2 . . . . 345 TRP HB2 . 17713 1 904 . 1 1 70 70 TRP HB3 H 1 2.863 0.004 . 2 . . . . 345 TRP HB3 . 17713 1 905 . 1 1 70 70 TRP HD1 H 1 6.294 0.01 . 1 . . . . 345 TRP HD1 . 17713 1 906 . 1 1 70 70 TRP HE1 H 1 6.024 0.2 . 1 . . . . 345 TRP HE1 . 17713 1 907 . 1 1 70 70 TRP HE3 H 1 6.588 0.008 . 1 . . . . 345 TRP HE3 . 17713 1 908 . 1 1 70 70 TRP HZ2 H 1 5.795 0.003 . 1 . . . . 345 TRP HZ2 . 17713 1 909 . 1 1 70 70 TRP HZ3 H 1 6.282 0.001 . 1 . . . . 345 TRP HZ3 . 17713 1 910 . 1 1 70 70 TRP HH2 H 1 5.69 0.002 . 1 . . . . 345 TRP HH2 . 17713 1 911 . 1 1 70 70 TRP C C 13 176.809 0.001 . 1 . . . . 345 TRP C . 17713 1 912 . 1 1 70 70 TRP CA C 13 58.899 0.115 . 1 . . . . 345 TRP CA . 17713 1 913 . 1 1 70 70 TRP CB C 13 29.598 0.082 . 1 . . . . 345 TRP CB . 17713 1 914 . 1 1 70 70 TRP CD1 C 13 120.566 0.2 . 1 . . . . 345 TRP CD1 . 17713 1 915 . 1 1 70 70 TRP CE3 C 13 119.831 0.2 . 1 . . . . 345 TRP CE3 . 17713 1 916 . 1 1 70 70 TRP CZ2 C 13 112.974 0.057 . 1 . . . . 345 TRP CZ2 . 17713 1 917 . 1 1 70 70 TRP CZ3 C 13 121.5 0.2 . 1 . . . . 345 TRP CZ3 . 17713 1 918 . 1 1 70 70 TRP CH2 C 13 124.071 0.064 . 1 . . . . 345 TRP CH2 . 17713 1 919 . 1 1 70 70 TRP N N 15 120.593 0.033 . 1 . . . . 345 TRP N . 17713 1 920 . 1 1 70 70 TRP NE1 N 15 118.927 0.2 . 1 . . . . 345 TRP NE1 . 17713 1 921 . 1 1 71 71 ASP H H 1 6.956 0.002 . 1 . . . . 346 ASP HN . 17713 1 922 . 1 1 71 71 ASP HA H 1 4.707 0.014 . 1 . . . . 346 ASP HA . 17713 1 923 . 1 1 71 71 ASP HB2 H 1 2.766 0.007 . 1 . . . . 346 ASP HB2 . 17713 1 924 . 1 1 71 71 ASP HB3 H 1 2.766 0.007 . 1 . . . . 346 ASP HB3 . 17713 1 925 . 1 1 71 71 ASP C C 13 178.597 0.038 . 1 . . . . 346 ASP C . 17713 1 926 . 1 1 71 71 ASP CA C 13 57.82 0.096 . 1 . . . . 346 ASP CA . 17713 1 927 . 1 1 71 71 ASP CB C 13 41.427 0.117 . 1 . . . . 346 ASP CB . 17713 1 928 . 1 1 71 71 ASP N N 15 119.598 0.072 . 1 . . . . 346 ASP N . 17713 1 929 . 1 1 72 72 ILE H H 1 7.97 0.003 . 1 . . . . 347 ILE HN . 17713 1 930 . 1 1 72 72 ILE HA H 1 3.856 0.007 . 1 . . . . 347 ILE HA . 17713 1 931 . 1 1 72 72 ILE HB H 1 1.57 0.004 . 1 . . . . 347 ILE HB . 17713 1 932 . 1 1 72 72 ILE HG12 H 1 1.195 0.005 . 2 . . . . 347 ILE HG12 . 17713 1 933 . 1 1 72 72 ILE HG13 H 1 1.747 0.006 . 2 . . . . 347 ILE HG13 . 17713 1 934 . 1 1 72 72 ILE HG21 H 1 0.921 0.005 . 1 . . . . 347 ILE HG2 . 17713 1 935 . 1 1 72 72 ILE HG22 H 1 0.921 0.005 . 1 . . . . 347 ILE HG2 . 17713 1 936 . 1 1 72 72 ILE HG23 H 1 0.921 0.005 . 1 . . . . 347 ILE HG2 . 17713 1 937 . 1 1 72 72 ILE HD11 H 1 0.831 0.01 . 1 . . . . 347 ILE HD1 . 17713 1 938 . 1 1 72 72 ILE HD12 H 1 0.831 0.01 . 1 . . . . 347 ILE HD1 . 17713 1 939 . 1 1 72 72 ILE HD13 H 1 0.831 0.01 . 1 . . . . 347 ILE HD1 . 17713 1 940 . 1 1 72 72 ILE C C 13 178.548 0.001 . 1 . . . . 347 ILE C . 17713 1 941 . 1 1 72 72 ILE CA C 13 63.741 0.08 . 1 . . . . 347 ILE CA . 17713 1 942 . 1 1 72 72 ILE CB C 13 40.056 0.122 . 1 . . . . 347 ILE CB . 17713 1 943 . 1 1 72 72 ILE CG1 C 13 29.268 0.124 . 1 . . . . 347 ILE CG1 . 17713 1 944 . 1 1 72 72 ILE CG2 C 13 18.329 0.049 . 1 . . . . 347 ILE CG2 . 17713 1 945 . 1 1 72 72 ILE CD1 C 13 14.575 0.099 . 1 . . . . 347 ILE CD1 . 17713 1 946 . 1 1 72 72 ILE N N 15 114.991 0.031 . 1 . . . . 347 ILE N . 17713 1 947 . 1 1 73 73 GLY H H 1 7.999 0.003 . 1 . . . . 348 GLY HN . 17713 1 948 . 1 1 73 73 GLY HA2 H 1 3.618 0.009 . 2 . . . . 348 GLY HA2 . 17713 1 949 . 1 1 73 73 GLY HA3 H 1 3.808 0.007 . 2 . . . . 348 GLY HA3 . 17713 1 950 . 1 1 73 73 GLY C C 13 173.312 0.2 . 1 . . . . 348 GLY C . 17713 1 951 . 1 1 73 73 GLY CA C 13 46.566 0.116 . 1 . . . . 348 GLY CA . 17713 1 952 . 1 1 73 73 GLY N N 15 104.741 0.048 . 1 . . . . 348 GLY N . 17713 1 953 . 1 1 74 74 VAL H H 1 8.034 0.003 . 1 . . . . 349 VAL HN . 17713 1 954 . 1 1 74 74 VAL HA H 1 3.728 0.009 . 1 . . . . 349 VAL HA . 17713 1 955 . 1 1 74 74 VAL HB H 1 2.206 0.01 . 1 . . . . 349 VAL HB . 17713 1 956 . 1 1 74 74 VAL HG11 H 1 0.98 0.005 . 1 . . . . 349 VAL HG1 . 17713 1 957 . 1 1 74 74 VAL HG12 H 1 0.98 0.005 . 1 . . . . 349 VAL HG1 . 17713 1 958 . 1 1 74 74 VAL HG13 H 1 0.98 0.005 . 1 . . . . 349 VAL HG1 . 17713 1 959 . 1 1 74 74 VAL HG21 H 1 0.912 0.008 . 1 . . . . 349 VAL HG2 . 17713 1 960 . 1 1 74 74 VAL HG22 H 1 0.912 0.008 . 1 . . . . 349 VAL HG2 . 17713 1 961 . 1 1 74 74 VAL HG23 H 1 0.912 0.008 . 1 . . . . 349 VAL HG2 . 17713 1 962 . 1 1 74 74 VAL C C 13 175.091 0.001 . 1 . . . . 349 VAL C . 17713 1 963 . 1 1 74 74 VAL CA C 13 63.805 0.11 . 1 . . . . 349 VAL CA . 17713 1 964 . 1 1 74 74 VAL CB C 13 32.011 0.124 . 1 . . . . 349 VAL CB . 17713 1 965 . 1 1 74 74 VAL CG1 C 13 22.066 0.083 . 1 . . . . 349 VAL CG1 . 17713 1 966 . 1 1 74 74 VAL CG2 C 13 24.527 0.069 . 1 . . . . 349 VAL CG2 . 17713 1 967 . 1 1 74 74 VAL N N 15 117.381 0.024 . 1 . . . . 349 VAL N . 17713 1 968 . 1 1 75 75 ALA H H 1 6.44 0.003 . 1 . . . . 350 ALA HN . 17713 1 969 . 1 1 75 75 ALA HA H 1 3.636 0.008 . 1 . . . . 350 ALA HA . 17713 1 970 . 1 1 75 75 ALA HB1 H 1 1.436 0.005 . 1 . . . . 350 ALA HB . 17713 1 971 . 1 1 75 75 ALA HB2 H 1 1.436 0.005 . 1 . . . . 350 ALA HB . 17713 1 972 . 1 1 75 75 ALA HB3 H 1 1.436 0.005 . 1 . . . . 350 ALA HB . 17713 1 973 . 1 1 75 75 ALA C C 13 178.334 0.004 . 1 . . . . 350 ALA C . 17713 1 974 . 1 1 75 75 ALA CA C 13 54.061 0.075 . 1 . . . . 350 ALA CA . 17713 1 975 . 1 1 75 75 ALA CB C 13 17.517 0.057 . 1 . . . . 350 ALA CB . 17713 1 976 . 1 1 75 75 ALA N N 15 120.08 0.022 . 1 . . . . 350 ALA N . 17713 1 977 . 1 1 76 76 GLY H H 1 8.875 0.002 . 1 . . . . 351 GLY HN . 17713 1 978 . 1 1 76 76 GLY HA2 H 1 3.517 0.008 . 2 . . . . 351 GLY HA2 . 17713 1 979 . 1 1 76 76 GLY HA3 H 1 4.741 0.011 . 2 . . . . 351 GLY HA3 . 17713 1 980 . 1 1 76 76 GLY C C 13 174.846 0.2 . 1 . . . . 351 GLY C . 17713 1 981 . 1 1 76 76 GLY CA C 13 45.018 0.115 . 1 . . . . 351 GLY CA . 17713 1 982 . 1 1 76 76 GLY N N 15 110.844 0.039 . 1 . . . . 351 GLY N . 17713 1 983 . 1 1 77 77 MET H H 1 7.841 0.006 . 1 . . . . 352 MET HN . 17713 1 984 . 1 1 77 77 MET HA H 1 4.02 0.007 . 1 . . . . 352 MET HA . 17713 1 985 . 1 1 77 77 MET HB2 H 1 1.946 0.007 . 2 . . . . 352 MET HB2 . 17713 1 986 . 1 1 77 77 MET HB3 H 1 2.075 0.006 . 2 . . . . 352 MET HB3 . 17713 1 987 . 1 1 77 77 MET HG2 H 1 2.131 0.017 . 2 . . . . 352 MET HG2 . 17713 1 988 . 1 1 77 77 MET HG3 H 1 2.885 0.012 . 2 . . . . 352 MET HG3 . 17713 1 989 . 1 1 77 77 MET HE1 H 1 1.989 0.002 . 1 . . . . 352 MET HE . 17713 1 990 . 1 1 77 77 MET HE2 H 1 1.989 0.002 . 1 . . . . 352 MET HE . 17713 1 991 . 1 1 77 77 MET HE3 H 1 1.989 0.002 . 1 . . . . 352 MET HE . 17713 1 992 . 1 1 77 77 MET C C 13 172.564 0.007 . 1 . . . . 352 MET C . 17713 1 993 . 1 1 77 77 MET CA C 13 58.24 0.07 . 1 . . . . 352 MET CA . 17713 1 994 . 1 1 77 77 MET CB C 13 35.844 0.08 . 1 . . . . 352 MET CB . 17713 1 995 . 1 1 77 77 MET CG C 13 33.219 0.095 . 1 . . . . 352 MET CG . 17713 1 996 . 1 1 77 77 MET CE C 13 18.503 0.027 . 1 . . . . 352 MET CE . 17713 1 997 . 1 1 77 77 MET N N 15 119.005 0.059 . 1 . . . . 352 MET N . 17713 1 998 . 1 1 78 78 ALA H H 1 8.287 0.004 . 1 . . . . 353 ALA HN . 17713 1 999 . 1 1 78 78 ALA HA H 1 4.916 0.009 . 1 . . . . 353 ALA HA . 17713 1 1000 . 1 1 78 78 ALA HB1 H 1 0.859 0.008 . 1 . . . . 353 ALA HB . 17713 1 1001 . 1 1 78 78 ALA HB2 H 1 0.859 0.008 . 1 . . . . 353 ALA HB . 17713 1 1002 . 1 1 78 78 ALA HB3 H 1 0.859 0.008 . 1 . . . . 353 ALA HB . 17713 1 1003 . 1 1 78 78 ALA C C 13 177.05 0.024 . 1 . . . . 353 ALA C . 17713 1 1004 . 1 1 78 78 ALA CA C 13 49.441 0.095 . 1 . . . . 353 ALA CA . 17713 1 1005 . 1 1 78 78 ALA CB C 13 22.491 0.092 . 1 . . . . 353 ALA CB . 17713 1 1006 . 1 1 78 78 ALA N N 15 122.794 0.045 . 1 . . . . 353 ALA N . 17713 1 1007 . 1 1 79 79 VAL H H 1 8.974 0.002 . 1 . . . . 354 VAL HN . 17713 1 1008 . 1 1 79 79 VAL HA H 1 3.382 0.011 . 1 . . . . 354 VAL HA . 17713 1 1009 . 1 1 79 79 VAL HB H 1 1.996 0.01 . 1 . . . . 354 VAL HB . 17713 1 1010 . 1 1 79 79 VAL HG11 H 1 0.89 0.006 . 1 . . . . 354 VAL HG1 . 17713 1 1011 . 1 1 79 79 VAL HG12 H 1 0.89 0.006 . 1 . . . . 354 VAL HG1 . 17713 1 1012 . 1 1 79 79 VAL HG13 H 1 0.89 0.006 . 1 . . . . 354 VAL HG1 . 17713 1 1013 . 1 1 79 79 VAL HG21 H 1 0.967 0.01 . 1 . . . . 354 VAL HG2 . 17713 1 1014 . 1 1 79 79 VAL HG22 H 1 0.967 0.01 . 1 . . . . 354 VAL HG2 . 17713 1 1015 . 1 1 79 79 VAL HG23 H 1 0.967 0.01 . 1 . . . . 354 VAL HG2 . 17713 1 1016 . 1 1 79 79 VAL C C 13 176.822 0.001 . 1 . . . . 354 VAL C . 17713 1 1017 . 1 1 79 79 VAL CA C 13 66.609 0.053 . 1 . . . . 354 VAL CA . 17713 1 1018 . 1 1 79 79 VAL CB C 13 30.955 0.096 . 1 . . . . 354 VAL CB . 17713 1 1019 . 1 1 79 79 VAL CG1 C 13 21.991 0.267 . 1 . . . . 354 VAL CG1 . 17713 1 1020 . 1 1 79 79 VAL CG2 C 13 24.005 0.047 . 1 . . . . 354 VAL CG2 . 17713 1 1021 . 1 1 79 79 VAL N N 15 122.557 0.029 . 1 . . . . 354 VAL N . 17713 1 1022 . 1 1 80 80 GLY H H 1 8.906 0.002 . 1 . . . . 355 GLY HN . 17713 1 1023 . 1 1 80 80 GLY HA2 H 1 3.628 0.006 . 2 . . . . 355 GLY HA2 . 17713 1 1024 . 1 1 80 80 GLY HA3 H 1 4.517 0.01 . 2 . . . . 355 GLY HA3 . 17713 1 1025 . 1 1 80 80 GLY C C 13 174.992 0.2 . 1 . . . . 355 GLY C . 17713 1 1026 . 1 1 80 80 GLY CA C 13 44.501 0.062 . 1 . . . . 355 GLY CA . 17713 1 1027 . 1 1 80 80 GLY N N 15 116.17 0.026 . 1 . . . . 355 GLY N . 17713 1 1028 . 1 1 81 81 GLY H H 1 9.063 0.002 . 1 . . . . 356 GLY HN . 17713 1 1029 . 1 1 81 81 GLY HA2 H 1 3.615 0.014 . 2 . . . . 356 GLY HA2 . 17713 1 1030 . 1 1 81 81 GLY HA3 H 1 3.893 0.004 . 2 . . . . 356 GLY HA3 . 17713 1 1031 . 1 1 81 81 GLY C C 13 172.065 0.2 . 1 . . . . 356 GLY C . 17713 1 1032 . 1 1 81 81 GLY CA C 13 45.755 0.077 . 1 . . . . 356 GLY CA . 17713 1 1033 . 1 1 81 81 GLY N N 15 109.411 0.036 . 1 . . . . 356 GLY N . 17713 1 1034 . 1 1 82 82 GLU H H 1 8.751 0.002 . 1 . . . . 357 GLU HN . 17713 1 1035 . 1 1 82 82 GLU HA H 1 5.531 0.008 . 1 . . . . 357 GLU HA . 17713 1 1036 . 1 1 82 82 GLU HB2 H 1 2.175 0.012 . 1 . . . . 357 GLU HB2 . 17713 1 1037 . 1 1 82 82 GLU HB3 H 1 2.175 0.012 . 1 . . . . 357 GLU HB3 . 17713 1 1038 . 1 1 82 82 GLU HG2 H 1 2.064 0.005 . 2 . . . . 357 GLU HG2 . 17713 1 1039 . 1 1 82 82 GLU HG3 H 1 2.226 0.007 . 2 . . . . 357 GLU HG3 . 17713 1 1040 . 1 1 82 82 GLU C C 13 174.864 0.001 . 1 . . . . 357 GLU C . 17713 1 1041 . 1 1 82 82 GLU CA C 13 55.279 0.094 . 1 . . . . 357 GLU CA . 17713 1 1042 . 1 1 82 82 GLU CB C 13 32.646 0.139 . 1 . . . . 357 GLU CB . 17713 1 1043 . 1 1 82 82 GLU CG C 13 36.546 0.081 . 1 . . . . 357 GLU CG . 17713 1 1044 . 1 1 82 82 GLU N N 15 120.267 0.025 . 1 . . . . 357 GLU N . 17713 1 1045 . 1 1 83 83 ARG H H 1 8.986 0.002 . 1 . . . . 358 ARG HN . 17713 1 1046 . 1 1 83 83 ARG HA H 1 5.415 0.01 . 1 . . . . 358 ARG HA . 17713 1 1047 . 1 1 83 83 ARG HB2 H 1 1.85 0.007 . 2 . . . . 358 ARG HB2 . 17713 1 1048 . 1 1 83 83 ARG HB3 H 1 2.142 0.014 . 2 . . . . 358 ARG HB3 . 17713 1 1049 . 1 1 83 83 ARG HG2 H 1 1.459 0.006 . 2 . . . . 358 ARG HG2 . 17713 1 1050 . 1 1 83 83 ARG HG3 H 1 1.542 0.008 . 2 . . . . 358 ARG HG3 . 17713 1 1051 . 1 1 83 83 ARG HD2 H 1 3.213 0.009 . 1 . . . . 358 ARG HD2 . 17713 1 1052 . 1 1 83 83 ARG HD3 H 1 3.213 0.009 . 1 . . . . 358 ARG HD3 . 17713 1 1053 . 1 1 83 83 ARG HE H 1 8.597 0.007 . 1 . . . . 358 ARG HE . 17713 1 1054 . 1 1 83 83 ARG C C 13 173.351 0.2 . 1 . . . . 358 ARG C . 17713 1 1055 . 1 1 83 83 ARG CA C 13 54.565 0.065 . 1 . . . . 358 ARG CA . 17713 1 1056 . 1 1 83 83 ARG CB C 13 37.308 0.124 . 1 . . . . 358 ARG CB . 17713 1 1057 . 1 1 83 83 ARG CG C 13 27.21 0.138 . 1 . . . . 358 ARG CG . 17713 1 1058 . 1 1 83 83 ARG CD C 13 43.746 0.147 . 1 . . . . 358 ARG CD . 17713 1 1059 . 1 1 83 83 ARG N N 15 126.916 0.074 . 1 . . . . 358 ARG N . 17713 1 1060 . 1 1 83 83 ARG NE N 15 85.866 0.032 . 1 . . . . 358 ARG NE . 17713 1 1061 . 1 1 84 84 ARG H H 1 9.075 0.003 . 1 . . . . 359 ARG HN . 17713 1 1062 . 1 1 84 84 ARG HA H 1 5.668 0.01 . 1 . . . . 359 ARG HA . 17713 1 1063 . 1 1 84 84 ARG HB2 H 1 1.829 0.011 . 2 . . . . 359 ARG HB2 . 17713 1 1064 . 1 1 84 84 ARG HB3 H 1 1.928 0.013 . 2 . . . . 359 ARG HB3 . 17713 1 1065 . 1 1 84 84 ARG HG2 H 1 1.482 0.01 . 2 . . . . 359 ARG HG2 . 17713 1 1066 . 1 1 84 84 ARG HG3 H 1 1.517 0.008 . 2 . . . . 359 ARG HG3 . 17713 1 1067 . 1 1 84 84 ARG HD2 H 1 3.077 0.014 . 1 . . . . 359 ARG HD2 . 17713 1 1068 . 1 1 84 84 ARG HD3 H 1 3.077 0.014 . 1 . . . . 359 ARG HD3 . 17713 1 1069 . 1 1 84 84 ARG HE H 1 8.643 0.007 . 1 . . . . 359 ARG HE . 17713 1 1070 . 1 1 84 84 ARG C C 13 175.454 0.003 . 1 . . . . 359 ARG C . 17713 1 1071 . 1 1 84 84 ARG CA C 13 54.58 0.089 . 1 . . . . 359 ARG CA . 17713 1 1072 . 1 1 84 84 ARG CB C 13 32.628 0.12 . 1 . . . . 359 ARG CB . 17713 1 1073 . 1 1 84 84 ARG CG C 13 27.331 0.16 . 1 . . . . 359 ARG CG . 17713 1 1074 . 1 1 84 84 ARG CD C 13 43.419 0.122 . 1 . . . . 359 ARG CD . 17713 1 1075 . 1 1 84 84 ARG N N 15 128.252 0.056 . 1 . . . . 359 ARG N . 17713 1 1076 . 1 1 84 84 ARG NE N 15 85.38 0.08 . 1 . . . . 359 ARG NE . 17713 1 1077 . 1 1 85 85 ILE H H 1 9.733 0.003 . 1 . . . . 360 ILE HN . 17713 1 1078 . 1 1 85 85 ILE HA H 1 4.994 0.008 . 1 . . . . 360 ILE HA . 17713 1 1079 . 1 1 85 85 ILE HB H 1 1.773 0.009 . 1 . . . . 360 ILE HB . 17713 1 1080 . 1 1 85 85 ILE HG12 H 1 0.77 0.005 . 2 . . . . 360 ILE HG12 . 17713 1 1081 . 1 1 85 85 ILE HG13 H 1 1.661 0.007 . 2 . . . . 360 ILE HG13 . 17713 1 1082 . 1 1 85 85 ILE HG21 H 1 0.865 0.012 . 1 . . . . 360 ILE HG2 . 17713 1 1083 . 1 1 85 85 ILE HG22 H 1 0.865 0.012 . 1 . . . . 360 ILE HG2 . 17713 1 1084 . 1 1 85 85 ILE HG23 H 1 0.865 0.012 . 1 . . . . 360 ILE HG2 . 17713 1 1085 . 1 1 85 85 ILE HD11 H 1 0.594 0.008 . 1 . . . . 360 ILE HD1 . 17713 1 1086 . 1 1 85 85 ILE HD12 H 1 0.594 0.008 . 1 . . . . 360 ILE HD1 . 17713 1 1087 . 1 1 85 85 ILE HD13 H 1 0.594 0.008 . 1 . . . . 360 ILE HD1 . 17713 1 1088 . 1 1 85 85 ILE C C 13 174.75 0.2 . 1 . . . . 360 ILE C . 17713 1 1089 . 1 1 85 85 ILE CA C 13 60.513 0.103 . 1 . . . . 360 ILE CA . 17713 1 1090 . 1 1 85 85 ILE CB C 13 41.954 0.134 . 1 . . . . 360 ILE CB . 17713 1 1091 . 1 1 85 85 ILE CG1 C 13 27.438 0.127 . 1 . . . . 360 ILE CG1 . 17713 1 1092 . 1 1 85 85 ILE CG2 C 13 18.707 0.135 . 1 . . . . 360 ILE CG2 . 17713 1 1093 . 1 1 85 85 ILE CD1 C 13 15.355 0.123 . 1 . . . . 360 ILE CD1 . 17713 1 1094 . 1 1 85 85 ILE N N 15 127.418 0.086 . 1 . . . . 360 ILE N . 17713 1 1095 . 1 1 86 86 VAL H H 1 9.459 0.002 . 1 . . . . 361 VAL HN . 17713 1 1096 . 1 1 86 86 VAL HA H 1 4.792 0.009 . 1 . . . . 361 VAL HA . 17713 1 1097 . 1 1 86 86 VAL HB H 1 2.078 0.015 . 1 . . . . 361 VAL HB . 17713 1 1098 . 1 1 86 86 VAL HG11 H 1 0.792 0.004 . 1 . . . . 361 VAL HG1 . 17713 1 1099 . 1 1 86 86 VAL HG12 H 1 0.792 0.004 . 1 . . . . 361 VAL HG1 . 17713 1 1100 . 1 1 86 86 VAL HG13 H 1 0.792 0.004 . 1 . . . . 361 VAL HG1 . 17713 1 1101 . 1 1 86 86 VAL HG21 H 1 0.956 0.006 . 1 . . . . 361 VAL HG2 . 17713 1 1102 . 1 1 86 86 VAL HG22 H 1 0.956 0.006 . 1 . . . . 361 VAL HG2 . 17713 1 1103 . 1 1 86 86 VAL HG23 H 1 0.956 0.006 . 1 . . . . 361 VAL HG2 . 17713 1 1104 . 1 1 86 86 VAL C C 13 176.019 0.2 . 1 . . . . 361 VAL C . 17713 1 1105 . 1 1 86 86 VAL CA C 13 62.659 0.1 . 1 . . . . 361 VAL CA . 17713 1 1106 . 1 1 86 86 VAL CB C 13 32.923 0.124 . 1 . . . . 361 VAL CB . 17713 1 1107 . 1 1 86 86 VAL CG1 C 13 20.696 0.227 . 1 . . . . 361 VAL CG1 . 17713 1 1108 . 1 1 86 86 VAL CG2 C 13 20.696 0.227 . 1 . . . . 361 VAL CG2 . 17713 1 1109 . 1 1 86 86 VAL N N 15 129.149 0.054 . 1 . . . . 361 VAL N . 17713 1 1110 . 1 1 87 87 ILE H H 1 9.714 0.005 . 1 . . . . 362 ILE HN . 17713 1 1111 . 1 1 87 87 ILE HA H 1 4.541 0.008 . 1 . . . . 362 ILE HA . 17713 1 1112 . 1 1 87 87 ILE HB H 1 1.939 0.007 . 1 . . . . 362 ILE HB . 17713 1 1113 . 1 1 87 87 ILE HG12 H 1 0.706 0.011 . 1 . . . . 362 ILE HG12 . 17713 1 1114 . 1 1 87 87 ILE HG13 H 1 1.878 0.007 . 1 . . . . 362 ILE HG13 . 17713 1 1115 . 1 1 87 87 ILE HG21 H 1 0.957 0.012 . 1 . . . . 362 ILE HG2 . 17713 1 1116 . 1 1 87 87 ILE HG22 H 1 0.957 0.012 . 1 . . . . 362 ILE HG2 . 17713 1 1117 . 1 1 87 87 ILE HG23 H 1 0.957 0.012 . 1 . . . . 362 ILE HG2 . 17713 1 1118 . 1 1 87 87 ILE HD11 H 1 0.826 0.008 . 1 . . . . 362 ILE HD1 . 17713 1 1119 . 1 1 87 87 ILE HD12 H 1 0.826 0.008 . 1 . . . . 362 ILE HD1 . 17713 1 1120 . 1 1 87 87 ILE HD13 H 1 0.826 0.008 . 1 . . . . 362 ILE HD1 . 17713 1 1121 . 1 1 87 87 ILE CA C 13 58.983 0.101 . 1 . . . . 362 ILE CA . 17713 1 1122 . 1 1 87 87 ILE CB C 13 41.496 0.083 . 1 . . . . 362 ILE CB . 17713 1 1123 . 1 1 87 87 ILE CG1 C 13 28.793 0.156 . 1 . . . . 362 ILE CG1 . 17713 1 1124 . 1 1 87 87 ILE CG2 C 13 20.366 0.116 . 1 . . . . 362 ILE CG2 . 17713 1 1125 . 1 1 87 87 ILE CD1 C 13 15.585 0.069 . 1 . . . . 362 ILE CD1 . 17713 1 1126 . 1 1 87 87 ILE N N 15 127.257 0.094 . 1 . . . . 362 ILE N . 17713 1 1127 . 1 1 88 88 PRO HA H 1 4.462 0.007 . 1 . . . . 363 PRO HA . 17713 1 1128 . 1 1 88 88 PRO HB2 H 1 2.002 0.009 . 2 . . . . 363 PRO HB2 . 17713 1 1129 . 1 1 88 88 PRO HB3 H 1 2.56 0.01 . 2 . . . . 363 PRO HB3 . 17713 1 1130 . 1 1 88 88 PRO HG2 H 1 1.944 0.004 . 2 . . . . 363 PRO HG2 . 17713 1 1131 . 1 1 88 88 PRO HG3 H 1 2.27 0.007 . 2 . . . . 363 PRO HG3 . 17713 1 1132 . 1 1 88 88 PRO HD2 H 1 3.347 0.013 . 2 . . . . 363 PRO HD2 . 17713 1 1133 . 1 1 88 88 PRO HD3 H 1 4.004 0.011 . 2 . . . . 363 PRO HD3 . 17713 1 1134 . 1 1 88 88 PRO C C 13 176.553 0.003 . 1 . . . . 363 PRO C . 17713 1 1135 . 1 1 88 88 PRO CA C 13 62.707 0.122 . 1 . . . . 363 PRO CA . 17713 1 1136 . 1 1 88 88 PRO CB C 13 34.018 0.119 . 1 . . . . 363 PRO CB . 17713 1 1137 . 1 1 88 88 PRO CG C 13 28.198 0.125 . 1 . . . . 363 PRO CG . 17713 1 1138 . 1 1 88 88 PRO CD C 13 52.81 0.194 . 1 . . . . 363 PRO CD . 17713 1 1139 . 1 1 89 89 ALA H H 1 8.971 0.002 . 1 . . . . 364 ALA HN . 17713 1 1140 . 1 1 89 89 ALA HA H 1 4.309 0.009 . 1 . . . . 364 ALA HA . 17713 1 1141 . 1 1 89 89 ALA HB1 H 1 1.232 0.014 . 1 . . . . 364 ALA HB . 17713 1 1142 . 1 1 89 89 ALA HB2 H 1 1.232 0.014 . 1 . . . . 364 ALA HB . 17713 1 1143 . 1 1 89 89 ALA HB3 H 1 1.232 0.014 . 1 . . . . 364 ALA HB . 17713 1 1144 . 1 1 89 89 ALA C C 13 177.399 0.2 . 1 . . . . 364 ALA C . 17713 1 1145 . 1 1 89 89 ALA CA C 13 56.606 0.082 . 1 . . . . 364 ALA CA . 17713 1 1146 . 1 1 89 89 ALA CB C 13 16.272 0.069 . 1 . . . . 364 ALA CB . 17713 1 1147 . 1 1 89 89 ALA N N 15 123.982 0.046 . 1 . . . . 364 ALA N . 17713 1 1148 . 1 1 90 90 PRO HA H 1 4.305 0.007 . 1 . . . . 365 PRO HA . 17713 1 1149 . 1 1 90 90 PRO HB2 H 1 1.703 0.006 . 2 . . . . 365 PRO HB2 . 17713 1 1150 . 1 1 90 90 PRO HB3 H 1 2.364 0.01 . 2 . . . . 365 PRO HB3 . 17713 1 1151 . 1 1 90 90 PRO HG2 H 1 1.931 0.004 . 2 . . . . 365 PRO HG2 . 17713 1 1152 . 1 1 90 90 PRO HG3 H 1 2.112 0.011 . 2 . . . . 365 PRO HG3 . 17713 1 1153 . 1 1 90 90 PRO HD2 H 1 3.477 0.005 . 2 . . . . 365 PRO HD2 . 17713 1 1154 . 1 1 90 90 PRO HD3 H 1 3.875 0.006 . 2 . . . . 365 PRO HD3 . 17713 1 1155 . 1 1 90 90 PRO C C 13 177.292 0.001 . 1 . . . . 365 PRO C . 17713 1 1156 . 1 1 90 90 PRO CA C 13 65.856 0.091 . 1 . . . . 365 PRO CA . 17713 1 1157 . 1 1 90 90 PRO CB C 13 31.137 0.124 . 1 . . . . 365 PRO CB . 17713 1 1158 . 1 1 90 90 PRO CG C 13 28.442 0.161 . 1 . . . . 365 PRO CG . 17713 1 1159 . 1 1 90 90 PRO CD C 13 50.789 0.119 . 1 . . . . 365 PRO CD . 17713 1 1160 . 1 1 91 91 TYR H H 1 8.106 0.003 . 1 . . . . 366 TYR HN . 17713 1 1161 . 1 1 91 91 TYR HA H 1 4.278 0.013 . 1 . . . . 366 TYR HA . 17713 1 1162 . 1 1 91 91 TYR HB2 H 1 2.615 0.011 . 2 . . . . 366 TYR HB2 . 17713 1 1163 . 1 1 91 91 TYR HB3 H 1 2.953 0.006 . 2 . . . . 366 TYR HB3 . 17713 1 1164 . 1 1 91 91 TYR HD1 H 1 6.837 0.007 . 1 . . . . 366 TYR HD1 . 17713 1 1165 . 1 1 91 91 TYR HD2 H 1 6.837 0.007 . 1 . . . . 366 TYR HD2 . 17713 1 1166 . 1 1 91 91 TYR HE1 H 1 6.767 0.005 . 1 . . . . 366 TYR HE1 . 17713 1 1167 . 1 1 91 91 TYR HE2 H 1 6.767 0.005 . 1 . . . . 366 TYR HE2 . 17713 1 1168 . 1 1 91 91 TYR C C 13 172.246 0.001 . 1 . . . . 366 TYR C . 17713 1 1169 . 1 1 91 91 TYR CA C 13 58.456 0.079 . 1 . . . . 366 TYR CA . 17713 1 1170 . 1 1 91 91 TYR CB C 13 39.437 0.08 . 1 . . . . 366 TYR CB . 17713 1 1171 . 1 1 91 91 TYR CD1 C 13 132.356 0.025 . 1 . . . . 366 TYR CD1 . 17713 1 1172 . 1 1 91 91 TYR CD2 C 13 132.356 0.025 . 1 . . . . 366 TYR CD2 . 17713 1 1173 . 1 1 91 91 TYR CE1 C 13 118.416 0.027 . 1 . . . . 366 TYR CE1 . 17713 1 1174 . 1 1 91 91 TYR CE2 C 13 118.416 0.027 . 1 . . . . 366 TYR CE2 . 17713 1 1175 . 1 1 91 91 TYR N N 15 115.378 0.052 . 1 . . . . 366 TYR N . 17713 1 1176 . 1 1 92 92 ALA H H 1 8.14 0.003 . 1 . . . . 367 ALA HN . 17713 1 1177 . 1 1 92 92 ALA HA H 1 4.349 0.01 . 1 . . . . 367 ALA HA . 17713 1 1178 . 1 1 92 92 ALA HB1 H 1 1.282 0.008 . 1 . . . . 367 ALA HB . 17713 1 1179 . 1 1 92 92 ALA HB2 H 1 1.282 0.008 . 1 . . . . 367 ALA HB . 17713 1 1180 . 1 1 92 92 ALA HB3 H 1 1.282 0.008 . 1 . . . . 367 ALA HB . 17713 1 1181 . 1 1 92 92 ALA C C 13 175.942 0.003 . 1 . . . . 367 ALA C . 17713 1 1182 . 1 1 92 92 ALA CA C 13 51.134 0.1 . 1 . . . . 367 ALA CA . 17713 1 1183 . 1 1 92 92 ALA CB C 13 18.731 0.1 . 1 . . . . 367 ALA CB . 17713 1 1184 . 1 1 92 92 ALA N N 15 126.578 0.05 . 1 . . . . 367 ALA N . 17713 1 1185 . 1 1 93 93 TYR H H 1 9.38 0.002 . 1 . . . . 368 TYR HN . 17713 1 1186 . 1 1 93 93 TYR HA H 1 4.557 0.008 . 1 . . . . 368 TYR HA . 17713 1 1187 . 1 1 93 93 TYR HB2 H 1 2.751 0.008 . 2 . . . . 368 TYR HB2 . 17713 1 1188 . 1 1 93 93 TYR HB3 H 1 3.221 0.01 . 2 . . . . 368 TYR HB3 . 17713 1 1189 . 1 1 93 93 TYR HD1 H 1 7.011 0.004 . 1 . . . . 368 TYR HD1 . 17713 1 1190 . 1 1 93 93 TYR HD2 H 1 7.011 0.004 . 1 . . . . 368 TYR HD2 . 17713 1 1191 . 1 1 93 93 TYR HE1 H 1 6.487 0.003 . 1 . . . . 368 TYR HE1 . 17713 1 1192 . 1 1 93 93 TYR HE2 H 1 6.487 0.003 . 1 . . . . 368 TYR HE2 . 17713 1 1193 . 1 1 93 93 TYR C C 13 176.472 0.005 . 1 . . . . 368 TYR C . 17713 1 1194 . 1 1 93 93 TYR CA C 13 58.861 0.09 . 1 . . . . 368 TYR CA . 17713 1 1195 . 1 1 93 93 TYR CB C 13 38.134 0.103 . 1 . . . . 368 TYR CB . 17713 1 1196 . 1 1 93 93 TYR CD1 C 13 133.049 0.004 . 1 . . . . 368 TYR CD1 . 17713 1 1197 . 1 1 93 93 TYR CD2 C 13 133.049 0.004 . 1 . . . . 368 TYR CD2 . 17713 1 1198 . 1 1 93 93 TYR CE1 C 13 117.843 0.03 . 1 . . . . 368 TYR CE1 . 17713 1 1199 . 1 1 93 93 TYR CE2 C 13 117.843 0.03 . 1 . . . . 368 TYR CE2 . 17713 1 1200 . 1 1 93 93 TYR N N 15 122.62 0.038 . 1 . . . . 368 TYR N . 17713 1 1201 . 1 1 94 94 GLY H H 1 8.316 0.003 . 1 . . . . 369 GLY HN . 17713 1 1202 . 1 1 94 94 GLY HA2 H 1 3.419 0.009 . 2 . . . . 369 GLY HA2 . 17713 1 1203 . 1 1 94 94 GLY HA3 H 1 3.853 0.008 . 2 . . . . 369 GLY HA3 . 17713 1 1204 . 1 1 94 94 GLY C C 13 175.361 0.2 . 1 . . . . 369 GLY C . 17713 1 1205 . 1 1 94 94 GLY CA C 13 47.045 0.04 . 1 . . . . 369 GLY CA . 17713 1 1206 . 1 1 94 94 GLY N N 15 109.409 0.035 . 1 . . . . 369 GLY N . 17713 1 1207 . 1 1 95 95 LYS H H 1 8.814 0.002 . 1 . . . . 370 LYS HN . 17713 1 1208 . 1 1 95 95 LYS HA H 1 4.128 0.01 . 1 . . . . 370 LYS HA . 17713 1 1209 . 1 1 95 95 LYS HB2 H 1 1.803 0.005 . 2 . . . . 370 LYS HB2 . 17713 1 1210 . 1 1 95 95 LYS HB3 H 1 1.951 0.006 . 2 . . . . 370 LYS HB3 . 17713 1 1211 . 1 1 95 95 LYS HG2 H 1 1.416 0.008 . 2 . . . . 370 LYS HG2 . 17713 1 1212 . 1 1 95 95 LYS HG3 H 1 1.569 0.003 . 2 . . . . 370 LYS HG3 . 17713 1 1213 . 1 1 95 95 LYS HD2 H 1 1.668 0.008 . 2 . . . . 370 LYS HD2 . 17713 1 1214 . 1 1 95 95 LYS HD3 H 1 1.738 0.009 . 2 . . . . 370 LYS HD3 . 17713 1 1215 . 1 1 95 95 LYS HE2 H 1 2.994 0.005 . 1 . . . . 370 LYS HE2 . 17713 1 1216 . 1 1 95 95 LYS HE3 H 1 2.994 0.005 . 1 . . . . 370 LYS HE3 . 17713 1 1217 . 1 1 95 95 LYS C C 13 175.436 0.005 . 1 . . . . 370 LYS C . 17713 1 1218 . 1 1 95 95 LYS CA C 13 57.002 0.115 . 1 . . . . 370 LYS CA . 17713 1 1219 . 1 1 95 95 LYS CB C 13 32.898 0.109 . 1 . . . . 370 LYS CB . 17713 1 1220 . 1 1 95 95 LYS CG C 13 24.905 0.051 . 1 . . . . 370 LYS CG . 17713 1 1221 . 1 1 95 95 LYS CD C 13 29.376 0.072 . 1 . . . . 370 LYS CD . 17713 1 1222 . 1 1 95 95 LYS CE C 13 42.17 0.086 . 1 . . . . 370 LYS CE . 17713 1 1223 . 1 1 95 95 LYS N N 15 124.671 0.062 . 1 . . . . 370 LYS N . 17713 1 1224 . 1 1 96 96 GLN H H 1 7.609 0.002 . 1 . . . . 371 GLN HN . 17713 1 1225 . 1 1 96 96 GLN HA H 1 4.163 0.006 . 1 . . . . 371 GLN HA . 17713 1 1226 . 1 1 96 96 GLN HB2 H 1 2.078 0.01 . 1 . . . . 371 GLN HB2 . 17713 1 1227 . 1 1 96 96 GLN HB3 H 1 2.078 0.01 . 1 . . . . 371 GLN HB3 . 17713 1 1228 . 1 1 96 96 GLN HG2 H 1 2.295 0.005 . 2 . . . . 371 GLN HG2 . 17713 1 1229 . 1 1 96 96 GLN HG3 H 1 2.39 0.01 . 2 . . . . 371 GLN HG3 . 17713 1 1230 . 1 1 96 96 GLN HE21 H 1 7.635 0.003 . 2 . . . . 371 GLN HE21 . 17713 1 1231 . 1 1 96 96 GLN HE22 H 1 6.935 0.002 . 2 . . . . 371 GLN HE22 . 17713 1 1232 . 1 1 96 96 GLN C C 13 173.644 0.003 . 1 . . . . 371 GLN C . 17713 1 1233 . 1 1 96 96 GLN CA C 13 55.925 0.076 . 1 . . . . 371 GLN CA . 17713 1 1234 . 1 1 96 96 GLN CB C 13 30.176 0.133 . 1 . . . . 371 GLN CB . 17713 1 1235 . 1 1 96 96 GLN CG C 13 34.111 0.089 . 1 . . . . 371 GLN CG . 17713 1 1236 . 1 1 96 96 GLN CD C 13 180.487 0.005 . 1 . . . . 371 GLN CD . 17713 1 1237 . 1 1 96 96 GLN N N 15 119.511 0.036 . 1 . . . . 371 GLN N . 17713 1 1238 . 1 1 96 96 GLN NE2 N 15 111.576 0.221 . 1 . . . . 371 GLN NE2 . 17713 1 1239 . 1 1 97 97 ALA H H 1 8.244 0.002 . 1 . . . . 372 ALA HN . 17713 1 1240 . 1 1 97 97 ALA HA H 1 4.52 0.014 . 1 . . . . 372 ALA HA . 17713 1 1241 . 1 1 97 97 ALA HB1 H 1 1.313 0.007 . 1 . . . . 372 ALA HB . 17713 1 1242 . 1 1 97 97 ALA HB2 H 1 1.313 0.007 . 1 . . . . 372 ALA HB . 17713 1 1243 . 1 1 97 97 ALA HB3 H 1 1.313 0.007 . 1 . . . . 372 ALA HB . 17713 1 1244 . 1 1 97 97 ALA C C 13 176.512 0.017 . 1 . . . . 372 ALA C . 17713 1 1245 . 1 1 97 97 ALA CA C 13 51.229 0.093 . 1 . . . . 372 ALA CA . 17713 1 1246 . 1 1 97 97 ALA CB C 13 20.266 0.097 . 1 . . . . 372 ALA CB . 17713 1 1247 . 1 1 97 97 ALA N N 15 125.574 0.057 . 1 . . . . 372 ALA N . 17713 1 1248 . 1 1 98 98 LEU H H 1 8.381 0.003 . 1 . . . . 373 LEU HN . 17713 1 1249 . 1 1 98 98 LEU HA H 1 4.676 0.011 . 1 . . . . 373 LEU HA . 17713 1 1250 . 1 1 98 98 LEU HB2 H 1 1.055 0.01 . 2 . . . . 373 LEU HB2 . 17713 1 1251 . 1 1 98 98 LEU HB3 H 1 1.366 0.005 . 2 . . . . 373 LEU HB3 . 17713 1 1252 . 1 1 98 98 LEU HG H 1 1.237 0.005 . 1 . . . . 373 LEU HG . 17713 1 1253 . 1 1 98 98 LEU HD11 H 1 0.184 0.003 . 1 . . . . 373 LEU HD1 . 17713 1 1254 . 1 1 98 98 LEU HD12 H 1 0.184 0.003 . 1 . . . . 373 LEU HD1 . 17713 1 1255 . 1 1 98 98 LEU HD13 H 1 0.184 0.003 . 1 . . . . 373 LEU HD1 . 17713 1 1256 . 1 1 98 98 LEU HD21 H 1 0.524 0.004 . 1 . . . . 373 LEU HD2 . 17713 1 1257 . 1 1 98 98 LEU HD22 H 1 0.524 0.004 . 1 . . . . 373 LEU HD2 . 17713 1 1258 . 1 1 98 98 LEU HD23 H 1 0.524 0.004 . 1 . . . . 373 LEU HD2 . 17713 1 1259 . 1 1 98 98 LEU CA C 13 53.1 0.142 . 1 . . . . 373 LEU CA . 17713 1 1260 . 1 1 98 98 LEU CB C 13 43.61 0.106 . 1 . . . . 373 LEU CB . 17713 1 1261 . 1 1 98 98 LEU CG C 13 28.371 0.068 . 1 . . . . 373 LEU CG . 17713 1 1262 . 1 1 98 98 LEU CD1 C 13 24.958 0.043 . 1 . . . . 373 LEU CD1 . 17713 1 1263 . 1 1 98 98 LEU CD2 C 13 23.904 0.043 . 1 . . . . 373 LEU CD2 . 17713 1 1264 . 1 1 98 98 LEU N N 15 125.443 0.055 . 1 . . . . 373 LEU N . 17713 1 1265 . 1 1 99 99 PRO HA H 1 4.208 0.007 . 1 . . . . 374 PRO HA . 17713 1 1266 . 1 1 99 99 PRO HB2 H 1 1.897 0.006 . 2 . . . . 374 PRO HB2 . 17713 1 1267 . 1 1 99 99 PRO HB3 H 1 2.24 0.004 . 2 . . . . 374 PRO HB3 . 17713 1 1268 . 1 1 99 99 PRO HG2 H 1 2.123 0.007 . 1 . . . . 374 PRO HG2 . 17713 1 1269 . 1 1 99 99 PRO HG3 H 1 2.123 0.007 . 1 . . . . 374 PRO HG3 . 17713 1 1270 . 1 1 99 99 PRO HD2 H 1 3.449 0.002 . 2 . . . . 374 PRO HD2 . 17713 1 1271 . 1 1 99 99 PRO HD3 H 1 3.676 0.004 . 2 . . . . 374 PRO HD3 . 17713 1 1272 . 1 1 99 99 PRO C C 13 177.822 0.007 . 1 . . . . 374 PRO C . 17713 1 1273 . 1 1 99 99 PRO CA C 13 65.04 0.146 . 1 . . . . 374 PRO CA . 17713 1 1274 . 1 1 99 99 PRO CB C 13 30.915 0.054 . 1 . . . . 374 PRO CB . 17713 1 1275 . 1 1 99 99 PRO CG C 13 28.523 0.033 . 1 . . . . 374 PRO CG . 17713 1 1276 . 1 1 99 99 PRO CD C 13 50.175 0.17 . 1 . . . . 374 PRO CD . 17713 1 1277 . 1 1 100 100 GLY H H 1 8.61 0.004 . 1 . . . . 375 GLY HN . 17713 1 1278 . 1 1 100 100 GLY HA2 H 1 3.716 0.008 . 2 . . . . 375 GLY HA2 . 17713 1 1279 . 1 1 100 100 GLY HA3 H 1 4.199 0.009 . 2 . . . . 375 GLY HA3 . 17713 1 1280 . 1 1 100 100 GLY C C 13 173.164 0.2 . 1 . . . . 375 GLY C . 17713 1 1281 . 1 1 100 100 GLY CA C 13 45.696 0.061 . 1 . . . . 375 GLY CA . 17713 1 1282 . 1 1 100 100 GLY N N 15 113.36 0.024 . 1 . . . . 375 GLY N . 17713 1 1283 . 1 1 101 101 ILE H H 1 7.923 0.003 . 1 . . . . 376 ILE HN . 17713 1 1284 . 1 1 101 101 ILE HA H 1 4.342 0.007 . 1 . . . . 376 ILE HA . 17713 1 1285 . 1 1 101 101 ILE HB H 1 1.413 0.01 . 1 . . . . 376 ILE HB . 17713 1 1286 . 1 1 101 101 ILE HG12 H 1 0.018 0.006 . 2 . . . . 376 ILE HG12 . 17713 1 1287 . 1 1 101 101 ILE HG13 H 1 1.149 0.011 . 2 . . . . 376 ILE HG13 . 17713 1 1288 . 1 1 101 101 ILE HG21 H 1 0.592 0.009 . 1 . . . . 376 ILE HG2 . 17713 1 1289 . 1 1 101 101 ILE HG22 H 1 0.592 0.009 . 1 . . . . 376 ILE HG2 . 17713 1 1290 . 1 1 101 101 ILE HG23 H 1 0.592 0.009 . 1 . . . . 376 ILE HG2 . 17713 1 1291 . 1 1 101 101 ILE HD11 H 1 0.237 0.009 . 1 . . . . 376 ILE HD1 . 17713 1 1292 . 1 1 101 101 ILE HD12 H 1 0.237 0.009 . 1 . . . . 376 ILE HD1 . 17713 1 1293 . 1 1 101 101 ILE HD13 H 1 0.237 0.009 . 1 . . . . 376 ILE HD1 . 17713 1 1294 . 1 1 101 101 ILE CA C 13 58.968 0.098 . 1 . . . . 376 ILE CA . 17713 1 1295 . 1 1 101 101 ILE CB C 13 40.619 0.112 . 1 . . . . 376 ILE CB . 17713 1 1296 . 1 1 101 101 ILE CG1 C 13 26.044 0.055 . 1 . . . . 376 ILE CG1 . 17713 1 1297 . 1 1 101 101 ILE CG2 C 13 18.425 0.06 . 1 . . . . 376 ILE CG2 . 17713 1 1298 . 1 1 101 101 ILE CD1 C 13 14.523 0.066 . 1 . . . . 376 ILE CD1 . 17713 1 1299 . 1 1 101 101 ILE N N 15 118.194 0.089 . 1 . . . . 376 ILE N . 17713 1 1300 . 1 1 102 102 PRO HA H 1 4.365 0.013 . 1 . . . . 377 PRO HA . 17713 1 1301 . 1 1 102 102 PRO HB2 H 1 1.622 0.004 . 2 . . . . 377 PRO HB2 . 17713 1 1302 . 1 1 102 102 PRO HB3 H 1 2.332 0.004 . 2 . . . . 377 PRO HB3 . 17713 1 1303 . 1 1 102 102 PRO HG2 H 1 1.866 0.012 . 2 . . . . 377 PRO HG2 . 17713 1 1304 . 1 1 102 102 PRO HG3 H 1 1.976 0.005 . 2 . . . . 377 PRO HG3 . 17713 1 1305 . 1 1 102 102 PRO HD2 H 1 3.564 0.005 . 1 . . . . 377 PRO HD2 . 17713 1 1306 . 1 1 102 102 PRO HD3 H 1 3.564 0.005 . 1 . . . . 377 PRO HD3 . 17713 1 1307 . 1 1 102 102 PRO C C 13 176.389 0.002 . 1 . . . . 377 PRO C . 17713 1 1308 . 1 1 102 102 PRO CA C 13 62.14 0.06 . 1 . . . . 377 PRO CA . 17713 1 1309 . 1 1 102 102 PRO CB C 13 32.256 0.023 . 1 . . . . 377 PRO CB . 17713 1 1310 . 1 1 102 102 PRO CG C 13 27.43 0.156 . 1 . . . . 377 PRO CG . 17713 1 1311 . 1 1 102 102 PRO CD C 13 51.138 0.085 . 1 . . . . 377 PRO CD . 17713 1 1312 . 1 1 103 103 ALA H H 1 8.692 0.003 . 1 . . . . 378 ALA HN . 17713 1 1313 . 1 1 103 103 ALA HA H 1 3.852 0.012 . 1 . . . . 378 ALA HA . 17713 1 1314 . 1 1 103 103 ALA HB1 H 1 1.209 0.01 . 1 . . . . 378 ALA HB . 17713 1 1315 . 1 1 103 103 ALA HB2 H 1 1.209 0.01 . 1 . . . . 378 ALA HB . 17713 1 1316 . 1 1 103 103 ALA HB3 H 1 1.209 0.01 . 1 . . . . 378 ALA HB . 17713 1 1317 . 1 1 103 103 ALA C C 13 177.098 0.001 . 1 . . . . 378 ALA C . 17713 1 1318 . 1 1 103 103 ALA CA C 13 53.215 0.071 . 1 . . . . 378 ALA CA . 17713 1 1319 . 1 1 103 103 ALA CB C 13 19.643 0.076 . 1 . . . . 378 ALA CB . 17713 1 1320 . 1 1 103 103 ALA N N 15 123.814 0.048 . 1 . . . . 378 ALA N . 17713 1 1321 . 1 1 104 104 ASN H H 1 8.163 0.003 . 1 . . . . 379 ASN HN . 17713 1 1322 . 1 1 104 104 ASN HA H 1 3.983 0.009 . 1 . . . . 379 ASN HA . 17713 1 1323 . 1 1 104 104 ASN HB2 H 1 2.801 0.01 . 2 . . . . 379 ASN HB2 . 17713 1 1324 . 1 1 104 104 ASN HB3 H 1 2.911 0.007 . 2 . . . . 379 ASN HB3 . 17713 1 1325 . 1 1 104 104 ASN HD21 H 1 6.862 0.003 . 2 . . . . 379 ASN HD21 . 17713 1 1326 . 1 1 104 104 ASN HD22 H 1 7.526 0.001 . 2 . . . . 379 ASN HD22 . 17713 1 1327 . 1 1 104 104 ASN C C 13 175.531 0.2 . 1 . . . . 379 ASN C . 17713 1 1328 . 1 1 104 104 ASN CA C 13 54.174 0.089 . 1 . . . . 379 ASN CA . 17713 1 1329 . 1 1 104 104 ASN CB C 13 37.334 0.105 . 1 . . . . 379 ASN CB . 17713 1 1330 . 1 1 104 104 ASN CG C 13 177.86 0.012 . 1 . . . . 379 ASN CG . 17713 1 1331 . 1 1 104 104 ASN N N 15 114.069 0.176 . 1 . . . . 379 ASN N . 17713 1 1332 . 1 1 104 104 ASN ND2 N 15 114.859 0.074 . 1 . . . . 379 ASN ND2 . 17713 1 1333 . 1 1 105 105 SER H H 1 8.45 0.003 . 1 . . . . 380 SER HN . 17713 1 1334 . 1 1 105 105 SER HA H 1 4.39 0.016 . 1 . . . . 380 SER HA . 17713 1 1335 . 1 1 105 105 SER HB2 H 1 3.502 0.024 . 2 . . . . 380 SER HB2 . 17713 1 1336 . 1 1 105 105 SER HB3 H 1 3.607 0.015 . 2 . . . . 380 SER HB3 . 17713 1 1337 . 1 1 105 105 SER C C 13 172.962 0.2 . 1 . . . . 380 SER C . 17713 1 1338 . 1 1 105 105 SER CA C 13 61.434 0.094 . 1 . . . . 380 SER CA . 17713 1 1339 . 1 1 105 105 SER CB C 13 64.187 0.071 . 1 . . . . 380 SER CB . 17713 1 1340 . 1 1 105 105 SER N N 15 116.797 0.042 . 1 . . . . 380 SER N . 17713 1 1341 . 1 1 106 106 GLU H H 1 8.375 0.004 . 1 . . . . 381 GLU HN . 17713 1 1342 . 1 1 106 106 GLU HA H 1 4.645 0.012 . 1 . . . . 381 GLU HA . 17713 1 1343 . 1 1 106 106 GLU HB2 H 1 1.857 0.011 . 2 . . . . 381 GLU HB2 . 17713 1 1344 . 1 1 106 106 GLU HB3 H 1 2.176 0.012 . 2 . . . . 381 GLU HB3 . 17713 1 1345 . 1 1 106 106 GLU HG2 H 1 1.831 0.008 . 2 . . . . 381 GLU HG2 . 17713 1 1346 . 1 1 106 106 GLU HG3 H 1 1.941 0.005 . 2 . . . . 381 GLU HG3 . 17713 1 1347 . 1 1 106 106 GLU C C 13 177.07 0.009 . 1 . . . . 381 GLU C . 17713 1 1348 . 1 1 106 106 GLU CA C 13 55.943 0.047 . 1 . . . . 381 GLU CA . 17713 1 1349 . 1 1 106 106 GLU CB C 13 32.007 0.063 . 1 . . . . 381 GLU CB . 17713 1 1350 . 1 1 106 106 GLU CG C 13 37.515 0.087 . 1 . . . . 381 GLU CG . 17713 1 1351 . 1 1 106 106 GLU N N 15 126.133 0.066 . 1 . . . . 381 GLU N . 17713 1 1352 . 1 1 107 107 LEU H H 1 8.746 0.003 . 1 . . . . 382 LEU HN . 17713 1 1353 . 1 1 107 107 LEU HA H 1 5.062 0.01 . 1 . . . . 382 LEU HA . 17713 1 1354 . 1 1 107 107 LEU HB2 H 1 1.339 0.011 . 2 . . . . 382 LEU HB2 . 17713 1 1355 . 1 1 107 107 LEU HB3 H 1 1.771 0.008 . 2 . . . . 382 LEU HB3 . 17713 1 1356 . 1 1 107 107 LEU HG H 1 1.722 0.018 . 1 . . . . 382 LEU HG . 17713 1 1357 . 1 1 107 107 LEU HD11 H 1 1.029 0.008 . 1 . . . . 382 LEU HD1 . 17713 1 1358 . 1 1 107 107 LEU HD12 H 1 1.029 0.008 . 1 . . . . 382 LEU HD1 . 17713 1 1359 . 1 1 107 107 LEU HD13 H 1 1.029 0.008 . 1 . . . . 382 LEU HD1 . 17713 1 1360 . 1 1 107 107 LEU HD21 H 1 0.476 0.007 . 1 . . . . 382 LEU HD2 . 17713 1 1361 . 1 1 107 107 LEU HD22 H 1 0.476 0.007 . 1 . . . . 382 LEU HD2 . 17713 1 1362 . 1 1 107 107 LEU HD23 H 1 0.476 0.007 . 1 . . . . 382 LEU HD2 . 17713 1 1363 . 1 1 107 107 LEU C C 13 175.286 0.006 . 1 . . . . 382 LEU C . 17713 1 1364 . 1 1 107 107 LEU CA C 13 53.819 0.089 . 1 . . . . 382 LEU CA . 17713 1 1365 . 1 1 107 107 LEU CB C 13 45.277 0.069 . 1 . . . . 382 LEU CB . 17713 1 1366 . 1 1 107 107 LEU CG C 13 27.072 0.093 . 1 . . . . 382 LEU CG . 17713 1 1367 . 1 1 107 107 LEU CD1 C 13 27.052 0.038 . 1 . . . . 382 LEU CD1 . 17713 1 1368 . 1 1 107 107 LEU CD2 C 13 22.59 0.046 . 1 . . . . 382 LEU CD2 . 17713 1 1369 . 1 1 107 107 LEU N N 15 128.421 0.047 . 1 . . . . 382 LEU N . 17713 1 1370 . 1 1 108 108 THR H H 1 8.981 0.002 . 1 . . . . 383 THR HN . 17713 1 1371 . 1 1 108 108 THR HA H 1 5.31 0.01 . 1 . . . . 383 THR HA . 17713 1 1372 . 1 1 108 108 THR HB H 1 3.859 0.006 . 1 . . . . 383 THR HB . 17713 1 1373 . 1 1 108 108 THR HG21 H 1 1.018 0.011 . 1 . . . . 383 THR HG2 . 17713 1 1374 . 1 1 108 108 THR HG22 H 1 1.018 0.011 . 1 . . . . 383 THR HG2 . 17713 1 1375 . 1 1 108 108 THR HG23 H 1 1.018 0.011 . 1 . . . . 383 THR HG2 . 17713 1 1376 . 1 1 108 108 THR C C 13 173.532 0.009 . 1 . . . . 383 THR C . 17713 1 1377 . 1 1 108 108 THR CA C 13 62.243 0.061 . 1 . . . . 383 THR CA . 17713 1 1378 . 1 1 108 108 THR CB C 13 70.661 0.105 . 1 . . . . 383 THR CB . 17713 1 1379 . 1 1 108 108 THR CG2 C 13 20.589 0.088 . 1 . . . . 383 THR CG2 . 17713 1 1380 . 1 1 108 108 THR N N 15 118.544 0.041 . 1 . . . . 383 THR N . 17713 1 1381 . 1 1 109 109 PHE H H 1 9.803 0.003 . 1 . . . . 384 PHE HN . 17713 1 1382 . 1 1 109 109 PHE HA H 1 5.77 0.01 . 1 . . . . 384 PHE HA . 17713 1 1383 . 1 1 109 109 PHE HB2 H 1 2.682 0.009 . 1 . . . . 384 PHE HB2 . 17713 1 1384 . 1 1 109 109 PHE HB3 H 1 2.682 0.009 . 1 . . . . 384 PHE HB3 . 17713 1 1385 . 1 1 109 109 PHE HD1 H 1 6.972 0.009 . 1 . . . . 384 PHE HD1 . 17713 1 1386 . 1 1 109 109 PHE HD2 H 1 6.972 0.009 . 1 . . . . 384 PHE HD2 . 17713 1 1387 . 1 1 109 109 PHE HE1 H 1 7.11 0.004 . 1 . . . . 384 PHE HE1 . 17713 1 1388 . 1 1 109 109 PHE HE2 H 1 7.11 0.004 . 1 . . . . 384 PHE HE2 . 17713 1 1389 . 1 1 109 109 PHE HZ H 1 7.452 0.006 . 1 . . . . 384 PHE HZ . 17713 1 1390 . 1 1 109 109 PHE C C 13 174.541 0.2 . 1 . . . . 384 PHE C . 17713 1 1391 . 1 1 109 109 PHE CA C 13 55.926 0.068 . 1 . . . . 384 PHE CA . 17713 1 1392 . 1 1 109 109 PHE CB C 13 43.466 0.132 . 1 . . . . 384 PHE CB . 17713 1 1393 . 1 1 109 109 PHE CD1 C 13 131.255 0.068 . 1 . . . . 384 PHE CD1 . 17713 1 1394 . 1 1 109 109 PHE CD2 C 13 131.255 0.068 . 1 . . . . 384 PHE CD2 . 17713 1 1395 . 1 1 109 109 PHE CE1 C 13 131.331 0.2 . 1 . . . . 384 PHE CE1 . 17713 1 1396 . 1 1 109 109 PHE CE2 C 13 131.331 0.2 . 1 . . . . 384 PHE CE2 . 17713 1 1397 . 1 1 109 109 PHE CZ C 13 130.773 0.035 . 1 . . . . 384 PHE CZ . 17713 1 1398 . 1 1 109 109 PHE N N 15 123.435 0.069 . 1 . . . . 384 PHE N . 17713 1 1399 . 1 1 110 110 ASP H H 1 8.773 0.003 . 1 . . . . 385 ASP HN . 17713 1 1400 . 1 1 110 110 ASP HA H 1 5.519 0.013 . 1 . . . . 385 ASP HA . 17713 1 1401 . 1 1 110 110 ASP HB2 H 1 2.541 0.007 . 2 . . . . 385 ASP HB2 . 17713 1 1402 . 1 1 110 110 ASP HB3 H 1 2.69 0.005 . 2 . . . . 385 ASP HB3 . 17713 1 1403 . 1 1 110 110 ASP C C 13 176.684 0.001 . 1 . . . . 385 ASP C . 17713 1 1404 . 1 1 110 110 ASP CA C 13 54.611 0.072 . 1 . . . . 385 ASP CA . 17713 1 1405 . 1 1 110 110 ASP CB C 13 42.293 0.117 . 1 . . . . 385 ASP CB . 17713 1 1406 . 1 1 110 110 ASP N N 15 123.423 0.041 . 1 . . . . 385 ASP N . 17713 1 1407 . 1 1 111 111 VAL H H 1 9.422 0.005 . 1 . . . . 386 VAL HN . 17713 1 1408 . 1 1 111 111 VAL HA H 1 5.317 0.012 . 1 . . . . 386 VAL HA . 17713 1 1409 . 1 1 111 111 VAL HB H 1 2.211 0.01 . 1 . . . . 386 VAL HB . 17713 1 1410 . 1 1 111 111 VAL HG11 H 1 0.785 0.009 . 1 . . . . 386 VAL HG1 . 17713 1 1411 . 1 1 111 111 VAL HG12 H 1 0.785 0.009 . 1 . . . . 386 VAL HG1 . 17713 1 1412 . 1 1 111 111 VAL HG13 H 1 0.785 0.009 . 1 . . . . 386 VAL HG1 . 17713 1 1413 . 1 1 111 111 VAL HG21 H 1 0.854 0.013 . 1 . . . . 386 VAL HG2 . 17713 1 1414 . 1 1 111 111 VAL HG22 H 1 0.854 0.013 . 1 . . . . 386 VAL HG2 . 17713 1 1415 . 1 1 111 111 VAL HG23 H 1 0.854 0.013 . 1 . . . . 386 VAL HG2 . 17713 1 1416 . 1 1 111 111 VAL C C 13 174.615 0.002 . 1 . . . . 386 VAL C . 17713 1 1417 . 1 1 111 111 VAL CA C 13 59.913 0.096 . 1 . . . . 386 VAL CA . 17713 1 1418 . 1 1 111 111 VAL CB C 13 35.108 0.12 . 1 . . . . 386 VAL CB . 17713 1 1419 . 1 1 111 111 VAL CG1 C 13 22.496 0.078 . 1 . . . . 386 VAL CG1 . 17713 1 1420 . 1 1 111 111 VAL CG2 C 13 20.947 0.076 . 1 . . . . 386 VAL CG2 . 17713 1 1421 . 1 1 111 111 VAL N N 15 120.721 0.055 . 1 . . . . 386 VAL N . 17713 1 1422 . 1 1 112 112 LYS H H 1 8.932 0.003 . 1 . . . . 387 LYS HN . 17713 1 1423 . 1 1 112 112 LYS HA H 1 5.545 0.013 . 1 . . . . 387 LYS HA . 17713 1 1424 . 1 1 112 112 LYS HB2 H 1 1.675 0.007 . 2 . . . . 387 LYS HB2 . 17713 1 1425 . 1 1 112 112 LYS HB3 H 1 1.756 0.005 . 2 . . . . 387 LYS HB3 . 17713 1 1426 . 1 1 112 112 LYS HG2 H 1 1.057 0.009 . 2 . . . . 387 LYS HG2 . 17713 1 1427 . 1 1 112 112 LYS HG3 H 1 1.384 0.006 . 2 . . . . 387 LYS HG3 . 17713 1 1428 . 1 1 112 112 LYS HD2 H 1 1.559 0.012 . 1 . . . . 387 LYS HD2 . 17713 1 1429 . 1 1 112 112 LYS HD3 H 1 1.559 0.012 . 1 . . . . 387 LYS HD3 . 17713 1 1430 . 1 1 112 112 LYS HE2 H 1 2.856 0.006 . 1 . . . . 387 LYS HE2 . 17713 1 1431 . 1 1 112 112 LYS HE3 H 1 2.856 0.006 . 1 . . . . 387 LYS HE3 . 17713 1 1432 . 1 1 112 112 LYS C C 13 175.519 0.008 . 1 . . . . 387 LYS C . 17713 1 1433 . 1 1 112 112 LYS CA C 13 54.558 0.086 . 1 . . . . 387 LYS CA . 17713 1 1434 . 1 1 112 112 LYS CB C 13 36.359 0.136 . 1 . . . . 387 LYS CB . 17713 1 1435 . 1 1 112 112 LYS CG C 13 25.203 0.113 . 1 . . . . 387 LYS CG . 17713 1 1436 . 1 1 112 112 LYS CD C 13 29.916 0.072 . 1 . . . . 387 LYS CD . 17713 1 1437 . 1 1 112 112 LYS CE C 13 42.03 0.107 . 1 . . . . 387 LYS CE . 17713 1 1438 . 1 1 112 112 LYS N N 15 124.794 0.047 . 1 . . . . 387 LYS N . 17713 1 1439 . 1 1 113 113 LEU H H 1 8.228 0.004 . 1 . . . . 388 LEU HN . 17713 1 1440 . 1 1 113 113 LEU HA H 1 4.795 0.014 . 1 . . . . 388 LEU HA . 17713 1 1441 . 1 1 113 113 LEU HB2 H 1 1.328 0.006 . 2 . . . . 388 LEU HB2 . 17713 1 1442 . 1 1 113 113 LEU HB3 H 1 2.133 0.006 . 2 . . . . 388 LEU HB3 . 17713 1 1443 . 1 1 113 113 LEU HG H 1 1.538 0.005 . 1 . . . . 388 LEU HG . 17713 1 1444 . 1 1 113 113 LEU HD11 H 1 0.948 0.009 . 1 . . . . 388 LEU HD1 . 17713 1 1445 . 1 1 113 113 LEU HD12 H 1 0.948 0.009 . 1 . . . . 388 LEU HD1 . 17713 1 1446 . 1 1 113 113 LEU HD13 H 1 0.948 0.009 . 1 . . . . 388 LEU HD1 . 17713 1 1447 . 1 1 113 113 LEU HD21 H 1 0.671 0.009 . 1 . . . . 388 LEU HD2 . 17713 1 1448 . 1 1 113 113 LEU HD22 H 1 0.671 0.009 . 1 . . . . 388 LEU HD2 . 17713 1 1449 . 1 1 113 113 LEU HD23 H 1 0.671 0.009 . 1 . . . . 388 LEU HD2 . 17713 1 1450 . 1 1 113 113 LEU C C 13 176.266 0.006 . 1 . . . . 388 LEU C . 17713 1 1451 . 1 1 113 113 LEU CA C 13 55.489 0.077 . 1 . . . . 388 LEU CA . 17713 1 1452 . 1 1 113 113 LEU CB C 13 42.117 0.079 . 1 . . . . 388 LEU CB . 17713 1 1453 . 1 1 113 113 LEU CG C 13 28.584 0.119 . 1 . . . . 388 LEU CG . 17713 1 1454 . 1 1 113 113 LEU CD1 C 13 26.502 0.073 . 1 . . . . 388 LEU CD1 . 17713 1 1455 . 1 1 113 113 LEU CD2 C 13 26.327 0.072 . 1 . . . . 388 LEU CD2 . 17713 1 1456 . 1 1 113 113 LEU N N 15 127.963 0.076 . 1 . . . . 388 LEU N . 17713 1 1457 . 1 1 114 114 VAL H H 1 9.045 0.003 . 1 . . . . 389 VAL HN . 17713 1 1458 . 1 1 114 114 VAL HA H 1 4.632 0.009 . 1 . . . . 389 VAL HA . 17713 1 1459 . 1 1 114 114 VAL HB H 1 2.255 0.014 . 1 . . . . 389 VAL HB . 17713 1 1460 . 1 1 114 114 VAL HG11 H 1 0.94 0.011 . 1 . . . . 389 VAL HG1 . 17713 1 1461 . 1 1 114 114 VAL HG12 H 1 0.94 0.011 . 1 . . . . 389 VAL HG1 . 17713 1 1462 . 1 1 114 114 VAL HG13 H 1 0.94 0.011 . 1 . . . . 389 VAL HG1 . 17713 1 1463 . 1 1 114 114 VAL HG21 H 1 0.748 0.009 . 1 . . . . 389 VAL HG2 . 17713 1 1464 . 1 1 114 114 VAL HG22 H 1 0.748 0.009 . 1 . . . . 389 VAL HG2 . 17713 1 1465 . 1 1 114 114 VAL HG23 H 1 0.748 0.009 . 1 . . . . 389 VAL HG2 . 17713 1 1466 . 1 1 114 114 VAL C C 13 175.768 0.008 . 1 . . . . 389 VAL C . 17713 1 1467 . 1 1 114 114 VAL CA C 13 61.998 0.135 . 1 . . . . 389 VAL CA . 17713 1 1468 . 1 1 114 114 VAL CB C 13 33.245 0.141 . 1 . . . . 389 VAL CB . 17713 1 1469 . 1 1 114 114 VAL CG1 C 13 22.206 0.105 . 1 . . . . 389 VAL CG1 . 17713 1 1470 . 1 1 114 114 VAL CG2 C 13 19.343 0.161 . 1 . . . . 389 VAL CG2 . 17713 1 1471 . 1 1 114 114 VAL N N 15 121.658 0.041 . 1 . . . . 389 VAL N . 17713 1 1472 . 1 1 115 115 SER H H 1 8.098 0.004 . 1 . . . . 390 SER HN . 17713 1 1473 . 1 1 115 115 SER HA H 1 4.669 0.012 . 1 . . . . 390 SER HA . 17713 1 1474 . 1 1 115 115 SER HB2 H 1 3.722 0.007 . 2 . . . . 390 SER HB2 . 17713 1 1475 . 1 1 115 115 SER HB3 H 1 3.826 0.005 . 2 . . . . 390 SER HB3 . 17713 1 1476 . 1 1 115 115 SER C C 13 171.987 0.2 . 1 . . . . 390 SER C . 17713 1 1477 . 1 1 115 115 SER CA C 13 57.819 0.074 . 1 . . . . 390 SER CA . 17713 1 1478 . 1 1 115 115 SER CB C 13 65.438 0.07 . 1 . . . . 390 SER CB . 17713 1 1479 . 1 1 115 115 SER N N 15 114.843 0.069 . 1 . . . . 390 SER N . 17713 1 1480 . 1 1 116 116 MET H H 1 8.583 0.003 . 1 . . . . 391 MET HN . 17713 1 1481 . 1 1 116 116 MET HA H 1 5.037 0.01 . 1 . . . . 391 MET HA . 17713 1 1482 . 1 1 116 116 MET HB2 H 1 1.781 0.012 . 2 . . . . 391 MET HB2 . 17713 1 1483 . 1 1 116 116 MET HB3 H 1 1.94 0.008 . 2 . . . . 391 MET HB3 . 17713 1 1484 . 1 1 116 116 MET HG2 H 1 2.183 0.006 . 2 . . . . 391 MET HG2 . 17713 1 1485 . 1 1 116 116 MET HG3 H 1 2.284 0.005 . 2 . . . . 391 MET HG3 . 17713 1 1486 . 1 1 116 116 MET HE1 H 1 1.889 0.002 . 1 . . . . 391 MET HE . 17713 1 1487 . 1 1 116 116 MET HE2 H 1 1.889 0.002 . 1 . . . . 391 MET HE . 17713 1 1488 . 1 1 116 116 MET HE3 H 1 1.889 0.002 . 1 . . . . 391 MET HE . 17713 1 1489 . 1 1 116 116 MET C C 13 173.866 0.001 . 1 . . . . 391 MET C . 17713 1 1490 . 1 1 116 116 MET CA C 13 55.986 0.091 . 1 . . . . 391 MET CA . 17713 1 1491 . 1 1 116 116 MET CB C 13 37.255 0.169 . 1 . . . . 391 MET CB . 17713 1 1492 . 1 1 116 116 MET CG C 13 31.638 0.119 . 1 . . . . 391 MET CG . 17713 1 1493 . 1 1 116 116 MET CE C 13 16.844 0.14 . 1 . . . . 391 MET CE . 17713 1 1494 . 1 1 116 116 MET N N 15 119.681 0.048 . 1 . . . . 391 MET N . 17713 1 1495 . 1 1 117 117 LYS H H 1 8.482 0.003 . 1 . . . . 392 LYS HN . 17713 1 1496 . 1 1 117 117 LYS HA H 1 4.232 0.008 . 1 . . . . 392 LYS HA . 17713 1 1497 . 1 1 117 117 LYS HB2 H 1 1.664 0.006 . 2 . . . . 392 LYS HB2 . 17713 1 1498 . 1 1 117 117 LYS HB3 H 1 1.817 0.009 . 2 . . . . 392 LYS HB3 . 17713 1 1499 . 1 1 117 117 LYS HG2 H 1 1.386 0.004 . 1 . . . . 392 LYS HG2 . 17713 1 1500 . 1 1 117 117 LYS HG3 H 1 1.386 0.004 . 1 . . . . 392 LYS HG3 . 17713 1 1501 . 1 1 117 117 LYS HD2 H 1 1.667 0.007 . 1 . . . . 392 LYS HD2 . 17713 1 1502 . 1 1 117 117 LYS HD3 H 1 1.667 0.007 . 1 . . . . 392 LYS HD3 . 17713 1 1503 . 1 1 117 117 LYS HE2 H 1 2.947 0.006 . 1 . . . . 392 LYS HE2 . 17713 1 1504 . 1 1 117 117 LYS HE3 H 1 2.947 0.006 . 1 . . . . 392 LYS HE3 . 17713 1 1505 . 1 1 117 117 LYS C C 13 180.418 0.2 . 1 . . . . 392 LYS C . 17713 1 1506 . 1 1 117 117 LYS CA C 13 58.131 0.097 . 1 . . . . 392 LYS CA . 17713 1 1507 . 1 1 117 117 LYS CB C 13 35.523 0.154 . 1 . . . . 392 LYS CB . 17713 1 1508 . 1 1 117 117 LYS CG C 13 25.289 0.123 . 1 . . . . 392 LYS CG . 17713 1 1509 . 1 1 117 117 LYS CD C 13 29.169 0.142 . 1 . . . . 392 LYS CD . 17713 1 1510 . 1 1 117 117 LYS CE C 13 42.131 0.104 . 1 . . . . 392 LYS CE . 17713 1 1511 . 1 1 117 117 LYS N N 15 128.713 0.052 . 1 . . . . 392 LYS N . 17713 1 stop_ save_