data_4898 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4898 _Entry.Title ; Assignment of 1H, 13C, 15N and 31P resonances of the FYVE domain in the complex with phosphatidylinositol 3-phosphate. ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-11-13 _Entry.Accession_date 2000-11-13 _Entry.Last_release_date 2005-06-02 _Entry.Original_release_date 2005-06-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tatiana Kutateladze . G. . 4898 2 Michael Overduin . . . 4898 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4898 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 616 4898 '13C chemical shifts' 383 4898 '15N chemical shifts' 109 4898 '31P chemical shifts' 2 4898 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 1 . . 2005-06-02 2000-11-13 original author . 4898 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4898 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14578346 _Citation.Full_citation . _Citation.Title 'Multivalent mechanism of membrane insertion by the FYVE domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 279 _Citation.Journal_issue 4 _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 3050 _Citation.Page_last 3057 _Citation.Year 2004 _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 Tatiana Kutateladze . G. . 4898 1 2 D. Capelluto . G. . 4898 1 3 C. Ferguson . G. . 4898 1 4 M. Cheever . L. . 4898 1 5 A. Kutateladze . G. . 4898 1 6 G. Prestwich . D. . 4898 1 7 Michael Overduin . . . 4898 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4898 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96088118 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes' _Citation.Status . _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue 3 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _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 F. Delaglio . . . 4898 2 2 S. Grzesiek . . . 4898 2 3 G. Vuister . W. . 4898 2 4 G. Zhu . . . 4898 2 5 J. Pfeifer . . . 4898 2 6 A. Bax . . . 4898 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Data processing' 4898 2 software 4898 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4898 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; A Common Sense Approach to Peak Picking in Two-, Three-, and Four-Dimensional Spectra Uning Automatic Computer Analysis of Contour Diagrams ; _Citation.Status . _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 95 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 214 _Citation.Page_last 220 _Citation.Year 1991 _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 D. Garrett . S. . 4898 3 2 R. Powers . . . 4898 3 3 A. Gronenborn . M. . 4898 3 4 G. Clore . M. . 4898 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Peak picking' 4898 3 software 4898 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_FYVE_PtdIns3P _Assembly.Sf_category assembly _Assembly.Sf_framecode FYVE_PtdIns3P _Assembly.Entry_ID 4898 _Assembly.ID 1 _Assembly.Name 'complex of the FYVE domain of EEA1 with PtdIns3P' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4898 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FYVE 1 $EEA1 . . . native . . . . . 4898 1 2 PtdIns3P 2 $PTDINS3P . . . native . . . . . 4898 1 3 Zn-1 3 $entity_ZN . . . native . . . . . 4898 1 4 Zn-2 3 $entity_ZN . . . native . . . . . 4898 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 33 33 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 4898 1 2 coordination single . 1 . 1 CYS 36 36 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 4898 1 3 coordination single . 1 . 1 CYS 49 49 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 4898 1 4 coordination single . 1 . 1 CYS 60 60 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 4898 1 5 coordination single . 1 . 1 CYS 52 52 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 4898 1 6 coordination single . 1 . 1 CYS 57 57 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 4898 1 7 coordination single . 1 . 1 CYS 77 77 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 4898 1 8 coordination single . 1 . 1 CYS 80 80 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 4898 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'complex of the FYVE domain of EEA1 with PtdIns3P' system 4898 1 'FYVE, PtdIns3P' abbreviation 4898 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EEA1 _Entity.Sf_category entity _Entity.Sf_framecode EEA1 _Entity.Entry_ID 4898 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Early Endosome Antigen 1' _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 ; AVQELGRENQSLQIKHTQAL NRKWAEDNEVQNCMACGKGF SVTVRRHHCRQCGNIFCAEC SAKNALTPSSKKPVRVCDAC FNDLQG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . REF XP_001926390 . 'PREDICTED: similar to Early endosome antigen 1 (Endosome-associated protein p162) (Zinc finger FYVE domain-containing protein 2) [Sus scrofa]' . . . . . 100.00 1410 98.84 100.00 6.54e-49 . . . . 4898 1 . . SWISS-PROT Q15075 . 'Early endosome antigen 1 (Endosome-associated protein p162) (Zinc finger FYVE domain-containing protein 2)' . . . . . 100.00 1411 100.00 100.00 2.59e-49 . . . . 4898 1 . . REF XP_001510589 . 'PREDICTED: similar to endosomal protein [Ornithorhynchus anatinus]' . . . . . 100.00 1453 98.84 98.84 2.61e-48 . . . . 4898 1 . . REF XP_001915836 . 'PREDICTED: similar to Early endosome antigen 1 (Endosome-associated protein p162) (Zinc finger FYVE domain-containing protein 2) [Equus caballus]' . . . . . 100.00 1494 100.00 100.00 2.31e-48 . . . . 4898 1 . . REF NP_003557 . 'early endosome antigen 1, 162kD [Homo sapiens]' . . . . . 100.00 1411 100.00 100.00 2.59e-49 . . . . 4898 1 . . REF XP_001104577 . 'PREDICTED: early endosome antigen 1, 162kD [Macaca mulatta]' . . . . . 100.00 1411 100.00 100.00 2.68e-49 . . . . 4898 1 . . GenBank AAI56546 . 'Early endosome antigen 1 [synthetic construct]' . . . . . 100.00 1411 100.00 100.00 2.59e-49 . . . . 4898 1 . . GenBank EAW97471 . 'early endosome antigen 1, 162kD, isoform CRA_a [Homo sapiens]' . . . . . 100.00 1411 100.00 100.00 2.59e-49 . . . . 4898 1 . . EMBL CAA55632 . 'endosomal protein [Homo sapiens]' . . . . . 100.00 1411 100.00 100.00 2.59e-49 . . . . 4898 1 . . GenBank AAA79121 . 'endosome-associated protein' . . . . . 100.00 1410 100.00 100.00 2.66e-49 . . . . 4898 1 . . PDB 1HYJ . 'Solution Structure Of The Eea1 Fyve Domain' . . . . . 75.58 65 100.00 100.00 1.88e-31 . . . . 4898 1 . . PDB 1JOC . 'Eea1 Homodimer Of C-Terminal Fyve Domain Bound To Inositol 1,3-Diphosphate' . . . . . 100.00 125 100.00 100.00 1.95e-44 . . . . 4898 1 . . BMRB 4579 . 'Early Endosome autoantigen 1' . . . . . 100.00 86 100.00 100.00 9.30e-44 . . . . 4898 1 . . PDB 1HYI . 'Solution Structure Of The Eea1 Fyve Domain Complexed With Inositol 1,3-Bisphosphate' . . . . . 75.58 65 100.00 100.00 1.88e-31 . . . . 4898 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Early Endosome Antigen 1' common 4898 1 EEA1 abbreviation 4898 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 1325 ALA . 4898 1 2 1326 VAL . 4898 1 3 1327 GLN . 4898 1 4 1328 GLU . 4898 1 5 1329 LEU . 4898 1 6 1330 GLY . 4898 1 7 1331 ARG . 4898 1 8 1332 GLU . 4898 1 9 1333 ASN . 4898 1 10 1334 GLN . 4898 1 11 1335 SER . 4898 1 12 1336 LEU . 4898 1 13 1337 GLN . 4898 1 14 1338 ILE . 4898 1 15 1339 LYS . 4898 1 16 1340 HIS . 4898 1 17 1341 THR . 4898 1 18 1342 GLN . 4898 1 19 1343 ALA . 4898 1 20 1344 LEU . 4898 1 21 1345 ASN . 4898 1 22 1346 ARG . 4898 1 23 1347 LYS . 4898 1 24 1348 TRP . 4898 1 25 1349 ALA . 4898 1 26 1350 GLU . 4898 1 27 1351 ASP . 4898 1 28 1352 ASN . 4898 1 29 1353 GLU . 4898 1 30 1354 VAL . 4898 1 31 1355 GLN . 4898 1 32 1356 ASN . 4898 1 33 1357 CYS . 4898 1 34 1358 MET . 4898 1 35 1359 ALA . 4898 1 36 1360 CYS . 4898 1 37 1361 GLY . 4898 1 38 1362 LYS . 4898 1 39 1363 GLY . 4898 1 40 1364 PHE . 4898 1 41 1365 SER . 4898 1 42 1366 VAL . 4898 1 43 1367 THR . 4898 1 44 1368 VAL . 4898 1 45 1369 ARG . 4898 1 46 1370 ARG . 4898 1 47 1371 HIS . 4898 1 48 1372 HIS . 4898 1 49 1373 CYS . 4898 1 50 1374 ARG . 4898 1 51 1375 GLN . 4898 1 52 1376 CYS . 4898 1 53 1377 GLY . 4898 1 54 1378 ASN . 4898 1 55 1379 ILE . 4898 1 56 1380 PHE . 4898 1 57 1381 CYS . 4898 1 58 1382 ALA . 4898 1 59 1383 GLU . 4898 1 60 1384 CYS . 4898 1 61 1385 SER . 4898 1 62 1386 ALA . 4898 1 63 1387 LYS . 4898 1 64 1388 ASN . 4898 1 65 1389 ALA . 4898 1 66 1390 LEU . 4898 1 67 1391 THR . 4898 1 68 1392 PRO . 4898 1 69 1393 SER . 4898 1 70 1394 SER . 4898 1 71 1395 LYS . 4898 1 72 1396 LYS . 4898 1 73 1397 PRO . 4898 1 74 1398 VAL . 4898 1 75 1399 ARG . 4898 1 76 1400 VAL . 4898 1 77 1401 CYS . 4898 1 78 1402 ASP . 4898 1 79 1403 ALA . 4898 1 80 1404 CYS . 4898 1 81 1405 PHE . 4898 1 82 1406 ASN . 4898 1 83 1407 ASP . 4898 1 84 1408 LEU . 4898 1 85 1409 GLN . 4898 1 86 1410 GLY . 4898 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 . ALA 1 1 4898 1 . VAL 2 2 4898 1 . GLN 3 3 4898 1 . GLU 4 4 4898 1 . LEU 5 5 4898 1 . GLY 6 6 4898 1 . ARG 7 7 4898 1 . GLU 8 8 4898 1 . ASN 9 9 4898 1 . GLN 10 10 4898 1 . SER 11 11 4898 1 . LEU 12 12 4898 1 . GLN 13 13 4898 1 . ILE 14 14 4898 1 . LYS 15 15 4898 1 . HIS 16 16 4898 1 . THR 17 17 4898 1 . GLN 18 18 4898 1 . ALA 19 19 4898 1 . LEU 20 20 4898 1 . ASN 21 21 4898 1 . ARG 22 22 4898 1 . LYS 23 23 4898 1 . TRP 24 24 4898 1 . ALA 25 25 4898 1 . GLU 26 26 4898 1 . ASP 27 27 4898 1 . ASN 28 28 4898 1 . GLU 29 29 4898 1 . VAL 30 30 4898 1 . GLN 31 31 4898 1 . ASN 32 32 4898 1 . CYS 33 33 4898 1 . MET 34 34 4898 1 . ALA 35 35 4898 1 . CYS 36 36 4898 1 . GLY 37 37 4898 1 . LYS 38 38 4898 1 . GLY 39 39 4898 1 . PHE 40 40 4898 1 . SER 41 41 4898 1 . VAL 42 42 4898 1 . THR 43 43 4898 1 . VAL 44 44 4898 1 . ARG 45 45 4898 1 . ARG 46 46 4898 1 . HIS 47 47 4898 1 . HIS 48 48 4898 1 . CYS 49 49 4898 1 . ARG 50 50 4898 1 . GLN 51 51 4898 1 . CYS 52 52 4898 1 . GLY 53 53 4898 1 . ASN 54 54 4898 1 . ILE 55 55 4898 1 . PHE 56 56 4898 1 . CYS 57 57 4898 1 . ALA 58 58 4898 1 . GLU 59 59 4898 1 . CYS 60 60 4898 1 . SER 61 61 4898 1 . ALA 62 62 4898 1 . LYS 63 63 4898 1 . ASN 64 64 4898 1 . ALA 65 65 4898 1 . LEU 66 66 4898 1 . THR 67 67 4898 1 . PRO 68 68 4898 1 . SER 69 69 4898 1 . SER 70 70 4898 1 . LYS 71 71 4898 1 . LYS 72 72 4898 1 . PRO 73 73 4898 1 . VAL 74 74 4898 1 . ARG 75 75 4898 1 . VAL 76 76 4898 1 . CYS 77 77 4898 1 . ASP 78 78 4898 1 . ALA 79 79 4898 1 . CYS 80 80 4898 1 . PHE 81 81 4898 1 . ASN 82 82 4898 1 . ASP 83 83 4898 1 . LEU 84 84 4898 1 . GLN 85 85 4898 1 . GLY 86 86 4898 1 stop_ save_ save_PTDINS3P _Entity.Sf_category entity _Entity.Sf_framecode PTDINS3P _Entity.Entry_ID 4898 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name '1,2 Dibutanoyl-sn-glycero-3-phospho[1D-myo-inositol]' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_PTDINS3P _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '1,2 Dibutanoyl-sn-glycero-3-phospho[1D-myo-inositol]' common 4898 2 PtdIns3P abbreviation 4898 2 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 . PTDINS3P . 4898 2 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 . PTDINS3P 1 1 4898 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 4898 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 4898 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 4898 3 ZN 'Three letter code' 4898 3 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 1 ZN $chem_comp_ZN 4898 3 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 4898 _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 $EEA1 . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4898 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 4898 _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 $EEA1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTDINS3P _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTDINS3P _Chem_comp.Entry_ID 4898 _Chem_comp.ID PTDINS3P _Chem_comp.Provenance . _Chem_comp.Name '1,2 Dibutanoyl-sn-glycero-3-phospho[1D-myo-inositol]' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code PtdIns3P _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic no _Chem_comp.Aromatic . _Chem_comp.Formula 'C17 H32 O16 P2' _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID '1,2 Dibutanoyl-sn-glycero-3-phospho[1D-myo-inositol]' common 4898 PTDINS3P PtdIns3P abbreviation 4898 PTDINS3P stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1' . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C2' . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C3' . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C4' . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C5' . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C6' . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H1' . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H2' . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H3' . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H4' . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H5' . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H6' . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P O1' . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P O2' . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P O3' . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P O4' . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P O5' . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P O6' . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P HO2' . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P HO4' . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P HO5' . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P HO6' . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P P2 . . . . P . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P OP3 . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P OP4 . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P OP5 . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P HOP4 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P HOP5 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P P1 . . . . P . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P OP1 . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P OP2 . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P HOP2 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P O3 . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C3 . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C2 . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C1 . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H32 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H33 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H2 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P O2 . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H12 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H13 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P O1 . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C4 . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C5 . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C6 . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C7 . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P O4 . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H52 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H53 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H62 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H63 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H71 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H72 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H73 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C8 . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C9 . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C10 . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P C11 . . . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P O8 . . . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H92 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H93 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H102 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H103 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H111 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H112 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P H113 . . . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 4898 PTDINS3P stop_ loop_ _Atom_nomenclature.Atom_ID _Atom_nomenclature.Atom_name _Atom_nomenclature.Naming_system _Atom_nomenclature.Entry_ID _Atom_nomenclature.Comp_ID . C1' . 4898 PTDINS3P . C2' . 4898 PTDINS3P . C3' . 4898 PTDINS3P . C4' . 4898 PTDINS3P . C5' . 4898 PTDINS3P . C6' . 4898 PTDINS3P . H1' . 4898 PTDINS3P . H2' . 4898 PTDINS3P . H3' . 4898 PTDINS3P . H4' . 4898 PTDINS3P . H5' . 4898 PTDINS3P . H6' . 4898 PTDINS3P . O1' . 4898 PTDINS3P . O2' . 4898 PTDINS3P . O3' . 4898 PTDINS3P . O4' . 4898 PTDINS3P . O5' . 4898 PTDINS3P . O6' . 4898 PTDINS3P . HO2' . 4898 PTDINS3P . HO4' . 4898 PTDINS3P . HO5' . 4898 PTDINS3P . HO6' . 4898 PTDINS3P . P2 . 4898 PTDINS3P . OP3 . 4898 PTDINS3P . OP4 . 4898 PTDINS3P . OP5 . 4898 PTDINS3P . HOP4 . 4898 PTDINS3P . HOP5 . 4898 PTDINS3P . P1 . 4898 PTDINS3P . OP1 . 4898 PTDINS3P . OP2 . 4898 PTDINS3P . HOP2 . 4898 PTDINS3P . O3 . 4898 PTDINS3P . C3 . 4898 PTDINS3P . C2 . 4898 PTDINS3P . C1 . 4898 PTDINS3P . H32 . 4898 PTDINS3P . H33 . 4898 PTDINS3P . H2 . 4898 PTDINS3P . O2 . 4898 PTDINS3P . H12 . 4898 PTDINS3P . H13 . 4898 PTDINS3P . O1 . 4898 PTDINS3P . C4 . 4898 PTDINS3P . C5 . 4898 PTDINS3P . C6 . 4898 PTDINS3P . C7 . 4898 PTDINS3P . O4 . 4898 PTDINS3P . H52 . 4898 PTDINS3P . H53 . 4898 PTDINS3P . H62 . 4898 PTDINS3P . H63 . 4898 PTDINS3P . H71 . 4898 PTDINS3P . H72 . 4898 PTDINS3P . H73 . 4898 PTDINS3P . C8 . 4898 PTDINS3P . C9 . 4898 PTDINS3P . C10 . 4898 PTDINS3P . C11 . 4898 PTDINS3P . O8 . 4898 PTDINS3P . H92 . 4898 PTDINS3P . H93 . 4898 PTDINS3P . H102 . 4898 PTDINS3P . H103 . 4898 PTDINS3P . H111 . 4898 PTDINS3P . H112 . 4898 PTDINS3P . H113 . 4898 PTDINS3P stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1' C2' . . . . 4898 PTDINS3P 2 . SING C1' C6' . . . . 4898 PTDINS3P 3 . SING C1' H1' . . . . 4898 PTDINS3P 4 . SING C1' O1' . . . . 4898 PTDINS3P 5 . SING C2' C3' . . . . 4898 PTDINS3P 6 . SING C2' H2' . . . . 4898 PTDINS3P 7 . SING C2' O2' . . . . 4898 PTDINS3P 8 . SING O2' HO2' . . . . 4898 PTDINS3P 9 . SING C3' C4' . . . . 4898 PTDINS3P 10 . SING C3' H3' . . . . 4898 PTDINS3P 11 . SING C3' O3' . . . . 4898 PTDINS3P 12 . SING O3' P2 . . . . 4898 PTDINS3P 13 . DOUB P2 OP3 . . . . 4898 PTDINS3P 14 . SING P2 OP4 . . . . 4898 PTDINS3P 15 . SING OP4 HOP4 . . . . 4898 PTDINS3P 16 . SING P2 OP5 . . . . 4898 PTDINS3P 17 . SING OP5 HOP5 . . . . 4898 PTDINS3P 18 . SING C4' C5' . . . . 4898 PTDINS3P 19 . SING C4' H4' . . . . 4898 PTDINS3P 20 . SING C4' O4' . . . . 4898 PTDINS3P 21 . SING O4' HO4' . . . . 4898 PTDINS3P 22 . SING C5' C6' . . . . 4898 PTDINS3P 23 . SING C5' H5' . . . . 4898 PTDINS3P 24 . SING C5' O5' . . . . 4898 PTDINS3P 25 . SING O5' HO5' . . . . 4898 PTDINS3P 26 . SING C6' H6' . . . . 4898 PTDINS3P 27 . SING C6' O6' . . . . 4898 PTDINS3P 28 . SING O6' HO6' . . . . 4898 PTDINS3P 29 . SING O1' P1 . . . . 4898 PTDINS3P 30 . DOUB P1 OP1 . . . . 4898 PTDINS3P 31 . SING P1 OP2 . . . . 4898 PTDINS3P 32 . SING OP2 HOP2 . . . . 4898 PTDINS3P 33 . SING P1 O3 . . . . 4898 PTDINS3P 34 . SING O3 C3 . . . . 4898 PTDINS3P 35 . SING C3 C2 . . . . 4898 PTDINS3P 36 . SING C3 H32 . . . . 4898 PTDINS3P 37 . SING C3 H33 . . . . 4898 PTDINS3P 38 . SING C2 C1 . . . . 4898 PTDINS3P 39 . SING C2 H2 . . . . 4898 PTDINS3P 40 . SING C2 O2 . . . . 4898 PTDINS3P 41 . SING C1 H12 . . . . 4898 PTDINS3P 42 . SING C1 H13 . . . . 4898 PTDINS3P 43 . SING C1 O1 . . . . 4898 PTDINS3P 44 . SING O1 C4 . . . . 4898 PTDINS3P 45 . SING C4 C5 . . . . 4898 PTDINS3P 46 . DOUB C4 O4 . . . . 4898 PTDINS3P 47 . SING C5 C6 . . . . 4898 PTDINS3P 48 . SING C5 H52 . . . . 4898 PTDINS3P 49 . SING C5 H53 . . . . 4898 PTDINS3P 50 . SING C6 C7 . . . . 4898 PTDINS3P 51 . SING C6 H62 . . . . 4898 PTDINS3P 52 . SING C6 H63 . . . . 4898 PTDINS3P 53 . SING C7 H71 . . . . 4898 PTDINS3P 54 . SING C7 H72 . . . . 4898 PTDINS3P 55 . SING C7 H73 . . . . 4898 PTDINS3P 56 . SING O2 C8 . . . . 4898 PTDINS3P 57 . SING C8 C9 . . . . 4898 PTDINS3P 58 . DOUB C8 O8 . . . . 4898 PTDINS3P 59 . SING C9 C10 . . . . 4898 PTDINS3P 60 . SING C9 H92 . . . . 4898 PTDINS3P 61 . SING C9 H93 . . . . 4898 PTDINS3P 62 . SING C10 C11 . . . . 4898 PTDINS3P 63 . SING C10 H102 . . . . 4898 PTDINS3P 64 . SING C10 H103 . . . . 4898 PTDINS3P 65 . SING C11 H111 . . . . 4898 PTDINS3P 66 . SING C11 H112 . . . . 4898 PTDINS3P 67 . SING C11 H113 . . . . 4898 PTDINS3P stop_ save_ save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 4898 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 4898 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 4898 ZN [Zn++] SMILES CACTVS 3.341 4898 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4898 ZN [Zn+2] SMILES ACDLabs 10.04 4898 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4898 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4898 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 4898 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4898 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4898 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4898 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Early Endosome Antigen 1' [U-15N] . . 1 $EEA1 . . 2.0 0.25 2.0 mM . . . . 4898 1 2 '1,2 Dibutanoyl-sn-glycero-3-phospho[1D-myo-inositol]' . . . 2 $PTDINS3P . . 1.0 0.25 5.0 mM . . . . 4898 1 3 'ZINC (II) ION' . . . 3 $entity_ZN . . 2.0 0.25 2.0 mM . . . . 4898 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4898 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Early Endosome Antigen 1' '[U-15N; U-13C]' . . 1 $EEA1 . . 2.0 0.25 2.0 mM . . . . 4898 2 2 '1,2 Dibutanoyl-sn-glycero-3-phospho[1D-myo-inositol]' . . . 2 $PTDINS3P . . 1.0 0.25 5.0 mM . . . . 4898 2 3 'ZINC (II) ION' . . . 3 $entity_ZN . . 2.0 0.25 2.0 mM . . . . 4898 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4898 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.7 0.1 n/a 4898 1 temperature 298 1 K 4898 1 'ionic strength' 0.2 0.02 M 4898 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4898 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4898 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 4898 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4898 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 4898 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref_2 4898 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4898 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4898 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 4898 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Mercury _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4898 _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 NMR_spectrometer_1 Varian Inova . 600 . . . 4898 1 2 NMR_spectrometer_2 Varian Inova . 500 . . . 4898 1 3 NMR_spectrometer_3 Varian Mercury . 400 . . . 4898 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 4898 _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 DIPSI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 2 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 3 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 4 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 5 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 6 '1H-15N HMQCJ' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 7 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 8 'H(CCO)NH TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 9 'C(CO)NH TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 10 '1H-31P HARTMANN-HAHN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 11 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 12 '13C F1-filtered, F2-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4898 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4898 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D DIPSI' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4898 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4898 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4898 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4898 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4898 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-15N HMQCJ' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4898 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4898 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'H(CCO)NH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4898 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'C(CO)NH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4898 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '1H-31P HARTMANN-HAHN' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4898 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4898 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '13C F1-filtered, F2-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4898 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4898 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4898 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . . . . . . . 4898 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4898 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4898 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4898 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 ALA H H 1 8.49 0.05 . 1 . . . . . . . . 4898 1 2 . 1 1 1 1 ALA HA H 1 4.35 0.05 . 1 . . . . . . . . 4898 1 3 . 1 1 1 1 ALA HB1 H 1 1.37 0.05 . 1 . . . . . . . . 4898 1 4 . 1 1 1 1 ALA HB2 H 1 1.37 0.05 . 1 . . . . . . . . 4898 1 5 . 1 1 1 1 ALA HB3 H 1 1.37 0.05 . 1 . . . . . . . . 4898 1 6 . 1 1 1 1 ALA C C 13 177.86 0.1 . 1 . . . . . . . . 4898 1 7 . 1 1 1 1 ALA CA C 13 52.66 0.1 . 1 . . . . . . . . 4898 1 8 . 1 1 1 1 ALA CB C 13 19.28 0.1 . 1 . . . . . . . . 4898 1 9 . 1 1 1 1 ALA N N 15 126.22 0.1 . 1 . . . . . . . . 4898 1 10 . 1 1 2 2 VAL H H 1 8.11 0.05 . 1 . . . . . . . . 4898 1 11 . 1 1 2 2 VAL HA H 1 4.03 0.05 . 1 . . . . . . . . 4898 1 12 . 1 1 2 2 VAL HB H 1 2.02 0.05 . 1 . . . . . . . . 4898 1 13 . 1 1 2 2 VAL HG11 H 1 0.91 0.05 . 1 . . . . . . . . 4898 1 14 . 1 1 2 2 VAL HG12 H 1 0.91 0.05 . 1 . . . . . . . . 4898 1 15 . 1 1 2 2 VAL HG13 H 1 0.91 0.05 . 1 . . . . . . . . 4898 1 16 . 1 1 2 2 VAL HG21 H 1 0.91 0.05 . 1 . . . . . . . . 4898 1 17 . 1 1 2 2 VAL HG22 H 1 0.91 0.05 . 1 . . . . . . . . 4898 1 18 . 1 1 2 2 VAL HG23 H 1 0.91 0.05 . 1 . . . . . . . . 4898 1 19 . 1 1 2 2 VAL C C 13 176.28 0.1 . 1 . . . . . . . . 4898 1 20 . 1 1 2 2 VAL CA C 13 62.84 0.1 . 1 . . . . . . . . 4898 1 21 . 1 1 2 2 VAL CB C 13 32.71 0.1 . 1 . . . . . . . . 4898 1 22 . 1 1 2 2 VAL CG1 C 13 21.02 0.1 . 1 . . . . . . . . 4898 1 23 . 1 1 2 2 VAL CG2 C 13 21.02 0.1 . 1 . . . . . . . . 4898 1 24 . 1 1 2 2 VAL N N 15 119.18 0.1 . 1 . . . . . . . . 4898 1 25 . 1 1 3 3 GLN H H 1 8.36 0.05 . 1 . . . . . . . . 4898 1 26 . 1 1 3 3 GLN HA H 1 4.30 0.05 . 1 . . . . . . . . 4898 1 27 . 1 1 3 3 GLN HB2 H 1 1.96 0.05 . 2 . . . . . . . . 4898 1 28 . 1 1 3 3 GLN HB3 H 1 2.04 0.05 . 2 . . . . . . . . 4898 1 29 . 1 1 3 3 GLN HG2 H 1 2.32 0.05 . 1 . . . . . . . . 4898 1 30 . 1 1 3 3 GLN HG3 H 1 2.32 0.05 . 1 . . . . . . . . 4898 1 31 . 1 1 3 3 GLN HE21 H 1 6.84 0.05 . 2 . . . . . . . . 4898 1 32 . 1 1 3 3 GLN HE22 H 1 7.51 0.05 . 2 . . . . . . . . 4898 1 33 . 1 1 3 3 GLN C C 13 175.80 0.1 . 1 . . . . . . . . 4898 1 34 . 1 1 3 3 GLN CA C 13 55.92 0.1 . 1 . . . . . . . . 4898 1 35 . 1 1 3 3 GLN CB C 13 29.58 0.1 . 1 . . . . . . . . 4898 1 36 . 1 1 3 3 GLN CG C 13 33.89 0.1 . 1 . . . . . . . . 4898 1 37 . 1 1 3 3 GLN CD C 13 180.42 0.1 . 1 . . . . . . . . 4898 1 38 . 1 1 3 3 GLN N N 15 123.77 0.1 . 1 . . . . . . . . 4898 1 39 . 1 1 3 3 GLN NE2 N 15 112.28 0.1 . 1 . . . . . . . . 4898 1 40 . 1 1 4 4 GLU H H 1 8.41 0.05 . 1 . . . . . . . . 4898 1 41 . 1 1 4 4 GLU HA H 1 4.26 0.05 . 1 . . . . . . . . 4898 1 42 . 1 1 4 4 GLU HB2 H 1 1.90 0.05 . 2 . . . . . . . . 4898 1 43 . 1 1 4 4 GLU HB3 H 1 2.01 0.05 . 2 . . . . . . . . 4898 1 44 . 1 1 4 4 GLU HG2 H 1 2.22 0.05 . 1 . . . . . . . . 4898 1 45 . 1 1 4 4 GLU HG3 H 1 2.22 0.05 . 1 . . . . . . . . 4898 1 46 . 1 1 4 4 GLU C C 13 176.41 0.1 . 1 . . . . . . . . 4898 1 47 . 1 1 4 4 GLU CA C 13 56.46 0.1 . 1 . . . . . . . . 4898 1 48 . 1 1 4 4 GLU CB C 13 30.33 0.1 . 1 . . . . . . . . 4898 1 49 . 1 1 4 4 GLU CG C 13 36.26 0.1 . 1 . . . . . . . . 4898 1 50 . 1 1 4 4 GLU N N 15 122.60 0.1 . 1 . . . . . . . . 4898 1 51 . 1 1 5 5 LEU H H 1 8.29 0.05 . 1 . . . . . . . . 4898 1 52 . 1 1 5 5 LEU HA H 1 4.31 0.05 . 1 . . . . . . . . 4898 1 53 . 1 1 5 5 LEU HB2 H 1 1.65 0.05 . 1 . . . . . . . . 4898 1 54 . 1 1 5 5 LEU HB3 H 1 1.65 0.05 . 1 . . . . . . . . 4898 1 55 . 1 1 5 5 LEU HG H 1 1.57 0.05 . 1 . . . . . . . . 4898 1 56 . 1 1 5 5 LEU HD11 H 1 0.84 0.05 . 2 . . . . . . . . 4898 1 57 . 1 1 5 5 LEU HD12 H 1 0.84 0.05 . 2 . . . . . . . . 4898 1 58 . 1 1 5 5 LEU HD13 H 1 0.84 0.05 . 2 . . . . . . . . 4898 1 59 . 1 1 5 5 LEU HD21 H 1 0.90 0.05 . 2 . . . . . . . . 4898 1 60 . 1 1 5 5 LEU HD22 H 1 0.90 0.05 . 2 . . . . . . . . 4898 1 61 . 1 1 5 5 LEU HD23 H 1 0.90 0.05 . 2 . . . . . . . . 4898 1 62 . 1 1 5 5 LEU C C 13 178.05 0.1 . 1 . . . . . . . . 4898 1 63 . 1 1 5 5 LEU CA C 13 55.50 0.1 . 1 . . . . . . . . 4898 1 64 . 1 1 5 5 LEU CB C 13 42.39 0.1 . 1 . . . . . . . . 4898 1 65 . 1 1 5 5 LEU CG C 13 27.01 0.1 . 1 . . . . . . . . 4898 1 66 . 1 1 5 5 LEU CD1 C 13 23.46 0.1 . 2 . . . . . . . . 4898 1 67 . 1 1 5 5 LEU CD2 C 13 24.98 0.1 . 2 . . . . . . . . 4898 1 68 . 1 1 5 5 LEU N N 15 123.38 0.1 . 1 . . . . . . . . 4898 1 69 . 1 1 6 6 GLY H H 1 8.51 0.05 . 1 . . . . . . . . 4898 1 70 . 1 1 6 6 GLY HA2 H 1 3.94 0.05 . 1 . . . . . . . . 4898 1 71 . 1 1 6 6 GLY HA3 H 1 3.94 0.05 . 1 . . . . . . . . 4898 1 72 . 1 1 6 6 GLY C C 13 174.45 0.1 . 1 . . . . . . . . 4898 1 73 . 1 1 6 6 GLY CA C 13 45.52 0.1 . 1 . . . . . . . . 4898 1 74 . 1 1 6 6 GLY N N 15 109.61 0.1 . 1 . . . . . . . . 4898 1 75 . 1 1 7 7 ARG H H 1 8.12 0.05 . 1 . . . . . . . . 4898 1 76 . 1 1 7 7 ARG HA H 1 4.31 0.05 . 1 . . . . . . . . 4898 1 77 . 1 1 7 7 ARG HB2 H 1 1.74 0.05 . 2 . . . . . . . . 4898 1 78 . 1 1 7 7 ARG HB3 H 1 1.86 0.05 . 2 . . . . . . . . 4898 1 79 . 1 1 7 7 ARG HG2 H 1 1.59 0.05 . 1 . . . . . . . . 4898 1 80 . 1 1 7 7 ARG HG3 H 1 1.59 0.05 . 1 . . . . . . . . 4898 1 81 . 1 1 7 7 ARG HD2 H 1 3.17 0.05 . 1 . . . . . . . . 4898 1 82 . 1 1 7 7 ARG HD3 H 1 3.17 0.05 . 1 . . . . . . . . 4898 1 83 . 1 1 7 7 ARG HE H 1 7.22 0.05 . 1 . . . . . . . . 4898 1 84 . 1 1 7 7 ARG C C 13 176.67 0.1 . 1 . . . . . . . . 4898 1 85 . 1 1 7 7 ARG CA C 13 56.24 0.1 . 1 . . . . . . . . 4898 1 86 . 1 1 7 7 ARG CB C 13 30.79 0.1 . 1 . . . . . . . . 4898 1 87 . 1 1 7 7 ARG CG C 13 27.41 0.1 . 1 . . . . . . . . 4898 1 88 . 1 1 7 7 ARG CD C 13 43.33 0.1 . 1 . . . . . . . . 4898 1 89 . 1 1 7 7 ARG N N 15 120.12 0.1 . 1 . . . . . . . . 4898 1 90 . 1 1 7 7 ARG NE N 15 84.83 0.1 . 1 . . . . . . . . 4898 1 91 . 1 1 8 8 GLU H H 1 8.66 0.05 . 1 . . . . . . . . 4898 1 92 . 1 1 8 8 GLU HA H 1 4.22 0.05 . 1 . . . . . . . . 4898 1 93 . 1 1 8 8 GLU HB2 H 1 1.94 0.05 . 2 . . . . . . . . 4898 1 94 . 1 1 8 8 GLU HB3 H 1 2.02 0.05 . 2 . . . . . . . . 4898 1 95 . 1 1 8 8 GLU HG2 H 1 2.24 0.05 . 1 . . . . . . . . 4898 1 96 . 1 1 8 8 GLU HG3 H 1 2.24 0.05 . 1 . . . . . . . . 4898 1 97 . 1 1 8 8 GLU C C 13 176.50 0.1 . 1 . . . . . . . . 4898 1 98 . 1 1 8 8 GLU CA C 13 57.11 0.1 . 1 . . . . . . . . 4898 1 99 . 1 1 8 8 GLU CB C 13 29.92 0.1 . 1 . . . . . . . . 4898 1 100 . 1 1 8 8 GLU CG C 13 36.30 0.1 . 1 . . . . . . . . 4898 1 101 . 1 1 8 8 GLU N N 15 121.15 0.1 . 1 . . . . . . . . 4898 1 102 . 1 1 9 9 ASN H H 1 8.42 0.05 . 1 . . . . . . . . 4898 1 103 . 1 1 9 9 ASN HA H 1 4.65 0.05 . 1 . . . . . . . . 4898 1 104 . 1 1 9 9 ASN HB2 H 1 2.75 0.05 . 2 . . . . . . . . 4898 1 105 . 1 1 9 9 ASN HB3 H 1 2.83 0.05 . 2 . . . . . . . . 4898 1 106 . 1 1 9 9 ASN HD21 H 1 6.93 0.05 . 2 . . . . . . . . 4898 1 107 . 1 1 9 9 ASN HD22 H 1 7.61 0.05 . 2 . . . . . . . . 4898 1 108 . 1 1 9 9 ASN C C 13 175.52 0.1 . 1 . . . . . . . . 4898 1 109 . 1 1 9 9 ASN CA C 13 53.50 0.1 . 1 . . . . . . . . 4898 1 110 . 1 1 9 9 ASN CB C 13 38.75 0.1 . 1 . . . . . . . . 4898 1 111 . 1 1 9 9 ASN CG C 13 176.97 0.1 . 1 . . . . . . . . 4898 1 112 . 1 1 9 9 ASN N N 15 118.97 0.1 . 1 . . . . . . . . 4898 1 113 . 1 1 9 9 ASN ND2 N 15 113.04 0.1 . 1 . . . . . . . . 4898 1 114 . 1 1 10 10 GLN H H 1 8.36 0.05 . 1 . . . . . . . . 4898 1 115 . 1 1 10 10 GLN HA H 1 4.29 0.05 . 1 . . . . . . . . 4898 1 116 . 1 1 10 10 GLN HB2 H 1 1.95 0.05 . 2 . . . . . . . . 4898 1 117 . 1 1 10 10 GLN HB3 H 1 2.14 0.05 . 2 . . . . . . . . 4898 1 118 . 1 1 10 10 GLN HG2 H 1 2.35 0.05 . 1 . . . . . . . . 4898 1 119 . 1 1 10 10 GLN HG3 H 1 2.35 0.05 . 1 . . . . . . . . 4898 1 120 . 1 1 10 10 GLN HE21 H 1 6.84 0.05 . 2 . . . . . . . . 4898 1 121 . 1 1 10 10 GLN HE22 H 1 7.49 0.05 . 2 . . . . . . . . 4898 1 122 . 1 1 10 10 GLN C C 13 176.29 0.1 . 1 . . . . . . . . 4898 1 123 . 1 1 10 10 GLN CA C 13 56.45 0.1 . 1 . . . . . . . . 4898 1 124 . 1 1 10 10 GLN CB C 13 29.28 0.1 . 1 . . . . . . . . 4898 1 125 . 1 1 10 10 GLN CG C 13 33.89 0.1 . 1 . . . . . . . . 4898 1 126 . 1 1 10 10 GLN CD C 13 180.35 0.1 . 1 . . . . . . . . 4898 1 127 . 1 1 10 10 GLN N N 15 120.71 0.1 . 1 . . . . . . . . 4898 1 128 . 1 1 10 10 GLN NE2 N 15 112.29 0.1 . 1 . . . . . . . . 4898 1 129 . 1 1 11 11 SER H H 1 8.31 0.05 . 1 . . . . . . . . 4898 1 130 . 1 1 11 11 SER HA H 1 4.39 0.05 . 1 . . . . . . . . 4898 1 131 . 1 1 11 11 SER HB2 H 1 3.86 0.05 . 1 . . . . . . . . 4898 1 132 . 1 1 11 11 SER HB3 H 1 3.86 0.05 . 1 . . . . . . . . 4898 1 133 . 1 1 11 11 SER C C 13 174.74 0.1 . 1 . . . . . . . . 4898 1 134 . 1 1 11 11 SER CA C 13 58.80 0.1 . 1 . . . . . . . . 4898 1 135 . 1 1 11 11 SER CB C 13 63.53 0.1 . 1 . . . . . . . . 4898 1 136 . 1 1 11 11 SER N N 15 116.22 0.1 . 1 . . . . . . . . 4898 1 137 . 1 1 12 12 LEU H H 1 8.11 0.05 . 1 . . . . . . . . 4898 1 138 . 1 1 12 12 LEU HA H 1 4.29 0.05 . 1 . . . . . . . . 4898 1 139 . 1 1 12 12 LEU HB2 H 1 1.62 0.05 . 1 . . . . . . . . 4898 1 140 . 1 1 12 12 LEU HB3 H 1 1.62 0.05 . 1 . . . . . . . . 4898 1 141 . 1 1 12 12 LEU HG H 1 1.57 0.05 . 1 . . . . . . . . 4898 1 142 . 1 1 12 12 LEU HD11 H 1 0.84 0.05 . 2 . . . . . . . . 4898 1 143 . 1 1 12 12 LEU HD12 H 1 0.84 0.05 . 2 . . . . . . . . 4898 1 144 . 1 1 12 12 LEU HD13 H 1 0.84 0.05 . 2 . . . . . . . . 4898 1 145 . 1 1 12 12 LEU HD21 H 1 0.90 0.05 . 2 . . . . . . . . 4898 1 146 . 1 1 12 12 LEU HD22 H 1 0.90 0.05 . 2 . . . . . . . . 4898 1 147 . 1 1 12 12 LEU HD23 H 1 0.90 0.05 . 2 . . . . . . . . 4898 1 148 . 1 1 12 12 LEU C C 13 177.36 0.1 . 1 . . . . . . . . 4898 1 149 . 1 1 12 12 LEU CA C 13 55.51 0.1 . 1 . . . . . . . . 4898 1 150 . 1 1 12 12 LEU CB C 13 42.24 0.1 . 1 . . . . . . . . 4898 1 151 . 1 1 12 12 LEU CG C 13 27.05 0.1 . 1 . . . . . . . . 4898 1 152 . 1 1 12 12 LEU CD1 C 13 23.56 0.1 . 2 . . . . . . . . 4898 1 153 . 1 1 12 12 LEU CD2 C 13 25.00 0.1 . 2 . . . . . . . . 4898 1 154 . 1 1 12 12 LEU N N 15 123.24 0.1 . 1 . . . . . . . . 4898 1 155 . 1 1 13 13 GLN H H 1 8.21 0.05 . 1 . . . . . . . . 4898 1 156 . 1 1 13 13 GLN HA H 1 4.27 0.05 . 1 . . . . . . . . 4898 1 157 . 1 1 13 13 GLN HB2 H 1 1.96 0.05 . 2 . . . . . . . . 4898 1 158 . 1 1 13 13 GLN HB3 H 1 2.04 0.05 . 2 . . . . . . . . 4898 1 159 . 1 1 13 13 GLN HG2 H 1 2.32 0.05 . 1 . . . . . . . . 4898 1 160 . 1 1 13 13 GLN HG3 H 1 2.32 0.05 . 1 . . . . . . . . 4898 1 161 . 1 1 13 13 GLN HE21 H 1 6.83 0.05 . 2 . . . . . . . . 4898 1 162 . 1 1 13 13 GLN C C 13 176.10 0.1 . 1 . . . . . . . . 4898 1 163 . 1 1 13 13 GLN CA C 13 56.02 0.1 . 1 . . . . . . . . 4898 1 164 . 1 1 13 13 GLN CB C 13 29.21 0.1 . 1 . . . . . . . . 4898 1 165 . 1 1 13 13 GLN CG C 13 33.85 0.1 . 1 . . . . . . . . 4898 1 166 . 1 1 13 13 GLN CD C 13 180.36 0.1 . 1 . . . . . . . . 4898 1 167 . 1 1 13 13 GLN N N 15 120.50 0.1 . 1 . . . . . . . . 4898 1 168 . 1 1 13 13 GLN NE2 N 15 111.70 0.1 . 1 . . . . . . . . 4898 1 169 . 1 1 14 14 ILE H H 1 8.04 0.05 . 1 . . . . . . . . 4898 1 170 . 1 1 14 14 ILE HA H 1 4.05 0.05 . 1 . . . . . . . . 4898 1 171 . 1 1 14 14 ILE HB H 1 1.78 0.05 . 1 . . . . . . . . 4898 1 172 . 1 1 14 14 ILE HG12 H 1 1.15 0.05 . 2 . . . . . . . . 4898 1 173 . 1 1 14 14 ILE HG13 H 1 1.40 0.05 . 2 . . . . . . . . 4898 1 174 . 1 1 14 14 ILE HG21 H 1 0.78 0.05 . 1 . . . . . . . . 4898 1 175 . 1 1 14 14 ILE HG22 H 1 0.78 0.05 . 1 . . . . . . . . 4898 1 176 . 1 1 14 14 ILE HG23 H 1 0.78 0.05 . 1 . . . . . . . . 4898 1 177 . 1 1 14 14 ILE HD11 H 1 0.78 0.05 . 1 . . . . . . . . 4898 1 178 . 1 1 14 14 ILE HD12 H 1 0.78 0.05 . 1 . . . . . . . . 4898 1 179 . 1 1 14 14 ILE HD13 H 1 0.78 0.05 . 1 . . . . . . . . 4898 1 180 . 1 1 14 14 ILE C C 13 176.24 0.1 . 1 . . . . . . . . 4898 1 181 . 1 1 14 14 ILE CA C 13 61.35 0.1 . 1 . . . . . . . . 4898 1 182 . 1 1 14 14 ILE CB C 13 38.40 0.1 . 1 . . . . . . . . 4898 1 183 . 1 1 14 14 ILE CG1 C 13 27.95 0.1 . 1 . . . . . . . . 4898 1 184 . 1 1 14 14 ILE CG2 C 13 17.51 0.1 . 1 . . . . . . . . 4898 1 185 . 1 1 14 14 ILE CD1 C 13 12.95 0.1 . 1 . . . . . . . . 4898 1 186 . 1 1 14 14 ILE N N 15 121.90 0.1 . 1 . . . . . . . . 4898 1 187 . 1 1 15 15 LYS H H 1 8.26 0.05 . 1 . . . . . . . . 4898 1 188 . 1 1 15 15 LYS HA H 1 4.26 0.05 . 1 . . . . . . . . 4898 1 189 . 1 1 15 15 LYS HB2 H 1 1.63 0.05 . 2 . . . . . . . . 4898 1 190 . 1 1 15 15 LYS HB3 H 1 1.68 0.05 . 2 . . . . . . . . 4898 1 191 . 1 1 15 15 LYS HG2 H 1 1.36 0.05 . 1 . . . . . . . . 4898 1 192 . 1 1 15 15 LYS HG3 H 1 1.36 0.05 . 1 . . . . . . . . 4898 1 193 . 1 1 15 15 LYS HD2 H 1 1.63 0.05 . 1 . . . . . . . . 4898 1 194 . 1 1 15 15 LYS HD3 H 1 1.63 0.05 . 1 . . . . . . . . 4898 1 195 . 1 1 15 15 LYS HE2 H 1 2.98 0.05 . 1 . . . . . . . . 4898 1 196 . 1 1 15 15 LYS HE3 H 1 2.98 0.05 . 1 . . . . . . . . 4898 1 197 . 1 1 15 15 LYS C C 13 176.12 0.1 . 1 . . . . . . . . 4898 1 198 . 1 1 15 15 LYS CA C 13 56.26 0.1 . 1 . . . . . . . . 4898 1 199 . 1 1 15 15 LYS CB C 13 32.83 0.1 . 1 . . . . . . . . 4898 1 200 . 1 1 15 15 LYS CG C 13 24.79 0.1 . 1 . . . . . . . . 4898 1 201 . 1 1 15 15 LYS CD C 13 29.03 0.1 . 1 . . . . . . . . 4898 1 202 . 1 1 15 15 LYS CE C 13 42.01 0.1 . 1 . . . . . . . . 4898 1 203 . 1 1 15 15 LYS N N 15 124.62 0.1 . 1 . . . . . . . . 4898 1 204 . 1 1 16 16 HIS H H 1 8.21 0.05 . 1 . . . . . . . . 4898 1 205 . 1 1 16 16 HIS HA H 1 4.69 0.05 . 1 . . . . . . . . 4898 1 206 . 1 1 16 16 HIS HB2 H 1 3.08 0.05 . 2 . . . . . . . . 4898 1 207 . 1 1 16 16 HIS HB3 H 1 3.14 0.05 . 2 . . . . . . . . 4898 1 208 . 1 1 16 16 HIS HD2 H 1 7.02 0.05 . 1 . . . . . . . . 4898 1 209 . 1 1 16 16 HIS HE1 H 1 7.87 0.05 . 1 . . . . . . . . 4898 1 210 . 1 1 16 16 HIS C C 13 175.74 0.1 . 1 . . . . . . . . 4898 1 211 . 1 1 16 16 HIS CA C 13 56.32 0.1 . 1 . . . . . . . . 4898 1 212 . 1 1 16 16 HIS CB C 13 31.06 0.1 . 1 . . . . . . . . 4898 1 213 . 1 1 16 16 HIS CD2 C 13 119.77 0.1 . 1 . . . . . . . . 4898 1 214 . 1 1 16 16 HIS CE1 C 13 138.11 0.1 . 1 . . . . . . . . 4898 1 215 . 1 1 16 16 HIS N N 15 122.13 0.1 . 1 . . . . . . . . 4898 1 216 . 1 1 17 17 THR H H 1 8.04 0.05 . 1 . . . . . . . . 4898 1 217 . 1 1 17 17 THR HA H 1 4.29 0.05 . 1 . . . . . . . . 4898 1 218 . 1 1 17 17 THR HB H 1 4.19 0.05 . 1 . . . . . . . . 4898 1 219 . 1 1 17 17 THR HG21 H 1 1.14 0.05 . 1 . . . . . . . . 4898 1 220 . 1 1 17 17 THR HG22 H 1 1.14 0.05 . 1 . . . . . . . . 4898 1 221 . 1 1 17 17 THR HG23 H 1 1.14 0.05 . 1 . . . . . . . . 4898 1 222 . 1 1 17 17 THR C C 13 174.62 0.1 . 1 . . . . . . . . 4898 1 223 . 1 1 17 17 THR CA C 13 62.27 0.1 . 1 . . . . . . . . 4898 1 224 . 1 1 17 17 THR CB C 13 69.73 0.1 . 1 . . . . . . . . 4898 1 225 . 1 1 17 17 THR CG2 C 13 21.73 0.1 . 1 . . . . . . . . 4898 1 226 . 1 1 17 17 THR N N 15 115.25 0.1 . 1 . . . . . . . . 4898 1 227 . 1 1 18 18 GLN H H 1 8.38 0.05 . 1 . . . . . . . . 4898 1 228 . 1 1 18 18 GLN HA H 1 4.28 0.05 . 1 . . . . . . . . 4898 1 229 . 1 1 18 18 GLN HB2 H 1 1.97 0.05 . 2 . . . . . . . . 4898 1 230 . 1 1 18 18 GLN HB3 H 1 2.08 0.05 . 2 . . . . . . . . 4898 1 231 . 1 1 18 18 GLN HG2 H 1 2.34 0.05 . 1 . . . . . . . . 4898 1 232 . 1 1 18 18 GLN HG3 H 1 2.34 0.05 . 1 . . . . . . . . 4898 1 233 . 1 1 18 18 GLN HE21 H 1 6.85 0.05 . 2 . . . . . . . . 4898 1 234 . 1 1 18 18 GLN HE22 H 1 7.53 0.05 . 2 . . . . . . . . 4898 1 235 . 1 1 18 18 GLN C C 13 175.77 0.1 . 1 . . . . . . . . 4898 1 236 . 1 1 18 18 GLN CA C 13 56.13 0.1 . 1 . . . . . . . . 4898 1 237 . 1 1 18 18 GLN CB C 13 29.41 0.1 . 1 . . . . . . . . 4898 1 238 . 1 1 18 18 GLN CG C 13 33.90 0.1 . 1 . . . . . . . . 4898 1 239 . 1 1 18 18 GLN CD C 13 180.66 0.1 . 1 . . . . . . . . 4898 1 240 . 1 1 18 18 GLN N N 15 122.18 0.1 . 1 . . . . . . . . 4898 1 241 . 1 1 18 18 GLN NE2 N 15 112.94 0.1 . 1 . . . . . . . . 4898 1 242 . 1 1 19 19 ALA H H 1 8.21 0.05 . 1 . . . . . . . . 4898 1 243 . 1 1 19 19 ALA HA H 1 4.25 0.05 . 1 . . . . . . . . 4898 1 244 . 1 1 19 19 ALA HB1 H 1 1.35 0.05 . 1 . . . . . . . . 4898 1 245 . 1 1 19 19 ALA HB2 H 1 1.35 0.05 . 1 . . . . . . . . 4898 1 246 . 1 1 19 19 ALA HB3 H 1 1.35 0.05 . 1 . . . . . . . . 4898 1 247 . 1 1 19 19 ALA C C 13 177.69 0.1 . 1 . . . . . . . . 4898 1 248 . 1 1 19 19 ALA CA C 13 52.68 0.1 . 1 . . . . . . . . 4898 1 249 . 1 1 19 19 ALA CB C 13 19.14 0.1 . 1 . . . . . . . . 4898 1 250 . 1 1 19 19 ALA N N 15 124.52 0.1 . 1 . . . . . . . . 4898 1 251 . 1 1 20 20 LEU H H 1 8.11 0.05 . 1 . . . . . . . . 4898 1 252 . 1 1 20 20 LEU HA H 1 4.26 0.05 . 1 . . . . . . . . 4898 1 253 . 1 1 20 20 LEU HB2 H 1 1.60 0.05 . 1 . . . . . . . . 4898 1 254 . 1 1 20 20 LEU HB3 H 1 1.60 0.05 . 1 . . . . . . . . 4898 1 255 . 1 1 20 20 LEU HG H 1 1.54 0.05 . 1 . . . . . . . . 4898 1 256 . 1 1 20 20 LEU HD11 H 1 0.83 0.05 . 2 . . . . . . . . 4898 1 257 . 1 1 20 20 LEU HD12 H 1 0.83 0.05 . 2 . . . . . . . . 4898 1 258 . 1 1 20 20 LEU HD13 H 1 0.83 0.05 . 2 . . . . . . . . 4898 1 259 . 1 1 20 20 LEU HD21 H 1 0.88 0.05 . 2 . . . . . . . . 4898 1 260 . 1 1 20 20 LEU HD22 H 1 0.88 0.05 . 2 . . . . . . . . 4898 1 261 . 1 1 20 20 LEU HD23 H 1 0.88 0.05 . 2 . . . . . . . . 4898 1 262 . 1 1 20 20 LEU C C 13 177.14 0.1 . 1 . . . . . . . . 4898 1 263 . 1 1 20 20 LEU CA C 13 55.49 0.1 . 1 . . . . . . . . 4898 1 264 . 1 1 20 20 LEU CB C 13 42.33 0.1 . 1 . . . . . . . . 4898 1 265 . 1 1 20 20 LEU CG C 13 27.08 0.1 . 1 . . . . . . . . 4898 1 266 . 1 1 20 20 LEU CD1 C 13 23.61 0.1 . 2 . . . . . . . . 4898 1 267 . 1 1 20 20 LEU CD2 C 13 24.96 0.1 . 2 . . . . . . . . 4898 1 268 . 1 1 20 20 LEU N N 15 120.67 0.1 . 1 . . . . . . . . 4898 1 269 . 1 1 21 21 ASN H H 1 8.30 0.05 . 1 . . . . . . . . 4898 1 270 . 1 1 21 21 ASN HA H 1 4.63 0.05 . 1 . . . . . . . . 4898 1 271 . 1 1 21 21 ASN HB2 H 1 2.71 0.05 . 2 . . . . . . . . 4898 1 272 . 1 1 21 21 ASN HB3 H 1 2.79 0.05 . 2 . . . . . . . . 4898 1 273 . 1 1 21 21 ASN HD21 H 1 6.87 0.05 . 2 . . . . . . . . 4898 1 274 . 1 1 21 21 ASN HD22 H 1 7.54 0.05 . 2 . . . . . . . . 4898 1 275 . 1 1 21 21 ASN C C 13 174.86 0.1 . 1 . . . . . . . . 4898 1 276 . 1 1 21 21 ASN CA C 13 53.23 0.1 . 1 . . . . . . . . 4898 1 277 . 1 1 21 21 ASN CB C 13 38.63 0.1 . 1 . . . . . . . . 4898 1 278 . 1 1 21 21 ASN CG C 13 177.01 0.1 . 1 . . . . . . . . 4898 1 279 . 1 1 21 21 ASN N N 15 118.66 0.1 . 1 . . . . . . . . 4898 1 280 . 1 1 21 21 ASN ND2 N 15 112.49 0.1 . 1 . . . . . . . . 4898 1 281 . 1 1 22 22 ARG H H 1 8.12 0.05 . 1 . . . . . . . . 4898 1 282 . 1 1 22 22 ARG HA H 1 4.29 0.05 . 1 . . . . . . . . 4898 1 283 . 1 1 22 22 ARG HB2 H 1 1.71 0.05 . 2 . . . . . . . . 4898 1 284 . 1 1 22 22 ARG HB3 H 1 1.80 0.05 . 2 . . . . . . . . 4898 1 285 . 1 1 22 22 ARG HG2 H 1 1.57 0.05 . 1 . . . . . . . . 4898 1 286 . 1 1 22 22 ARG HG3 H 1 1.57 0.05 . 1 . . . . . . . . 4898 1 287 . 1 1 22 22 ARG HD2 H 1 3.18 0.05 . 1 . . . . . . . . 4898 1 288 . 1 1 22 22 ARG HD3 H 1 3.18 0.05 . 1 . . . . . . . . 4898 1 289 . 1 1 22 22 ARG HE H 1 7.16 0.05 . 1 . . . . . . . . 4898 1 290 . 1 1 22 22 ARG C C 13 175.81 0.1 . 1 . . . . . . . . 4898 1 291 . 1 1 22 22 ARG CA C 13 56.03 0.1 . 1 . . . . . . . . 4898 1 292 . 1 1 22 22 ARG CB C 13 30.82 0.1 . 1 . . . . . . . . 4898 1 293 . 1 1 22 22 ARG CG C 13 27.13 0.1 . 1 . . . . . . . . 4898 1 294 . 1 1 22 22 ARG CD C 13 43.38 0.1 . 1 . . . . . . . . 4898 1 295 . 1 1 22 22 ARG N N 15 120.95 0.1 . 1 . . . . . . . . 4898 1 296 . 1 1 22 22 ARG NE N 15 84.92 0.1 . 1 . . . . . . . . 4898 1 297 . 1 1 23 23 LYS H H 1 8.35 0.05 . 1 . . . . . . . . 4898 1 298 . 1 1 23 23 LYS HA H 1 4.32 0.05 . 1 . . . . . . . . 4898 1 299 . 1 1 23 23 LYS HB2 H 1 1.73 0.05 . 1 . . . . . . . . 4898 1 300 . 1 1 23 23 LYS HB3 H 1 1.73 0.05 . 1 . . . . . . . . 4898 1 301 . 1 1 23 23 LYS HG2 H 1 1.38 0.05 . 1 . . . . . . . . 4898 1 302 . 1 1 23 23 LYS HG3 H 1 1.38 0.05 . 1 . . . . . . . . 4898 1 303 . 1 1 23 23 LYS HD2 H 1 1.73 0.05 . 1 . . . . . . . . 4898 1 304 . 1 1 23 23 LYS HD3 H 1 1.73 0.05 . 1 . . . . . . . . 4898 1 305 . 1 1 23 23 LYS HE2 H 1 2.93 0.05 . 1 . . . . . . . . 4898 1 306 . 1 1 23 23 LYS HE3 H 1 2.93 0.05 . 1 . . . . . . . . 4898 1 307 . 1 1 23 23 LYS C C 13 176.14 0.1 . 1 . . . . . . . . 4898 1 308 . 1 1 23 23 LYS CA C 13 55.94 0.1 . 1 . . . . . . . . 4898 1 309 . 1 1 23 23 LYS CB C 13 33.07 0.1 . 1 . . . . . . . . 4898 1 310 . 1 1 23 23 LYS CG C 13 24.79 0.1 . 1 . . . . . . . . 4898 1 311 . 1 1 23 23 LYS CD C 13 29.03 0.1 . 1 . . . . . . . . 4898 1 312 . 1 1 23 23 LYS CE C 13 42.01 0.1 . 1 . . . . . . . . 4898 1 313 . 1 1 23 23 LYS N N 15 123.20 0.1 . 1 . . . . . . . . 4898 1 314 . 1 1 24 24 TRP H H 1 8.54 0.05 . 1 . . . . . . . . 4898 1 315 . 1 1 24 24 TRP HA H 1 4.86 0.05 . 1 . . . . . . . . 4898 1 316 . 1 1 24 24 TRP HB2 H 1 3.04 0.05 . 2 . . . . . . . . 4898 1 317 . 1 1 24 24 TRP HB3 H 1 3.07 0.05 . 2 . . . . . . . . 4898 1 318 . 1 1 24 24 TRP HD1 H 1 6.97 0.05 . 1 . . . . . . . . 4898 1 319 . 1 1 24 24 TRP HE1 H 1 10.02 0.05 . 1 . . . . . . . . 4898 1 320 . 1 1 24 24 TRP HE3 H 1 7.20 0.05 . 1 . . . . . . . . 4898 1 321 . 1 1 24 24 TRP HZ2 H 1 7.16 0.05 . 1 . . . . . . . . 4898 1 322 . 1 1 24 24 TRP HZ3 H 1 6.87 0.05 . 1 . . . . . . . . 4898 1 323 . 1 1 24 24 TRP HH2 H 1 6.97 0.05 . 1 . . . . . . . . 4898 1 324 . 1 1 24 24 TRP C C 13 176.03 0.1 . 1 . . . . . . . . 4898 1 325 . 1 1 24 24 TRP CA C 13 56.69 0.1 . 1 . . . . . . . . 4898 1 326 . 1 1 24 24 TRP CB C 13 29.75 0.1 . 1 . . . . . . . . 4898 1 327 . 1 1 24 24 TRP CD1 C 13 127.03 0.1 . 1 . . . . . . . . 4898 1 328 . 1 1 24 24 TRP CE3 C 13 120.70 0.1 . 1 . . . . . . . . 4898 1 329 . 1 1 24 24 TRP CZ2 C 13 114.49 0.1 . 1 . . . . . . . . 4898 1 330 . 1 1 24 24 TRP CZ3 C 13 121.73 0.1 . 1 . . . . . . . . 4898 1 331 . 1 1 24 24 TRP CH2 C 13 124.40 0.1 . 1 . . . . . . . . 4898 1 332 . 1 1 24 24 TRP N N 15 124.65 0.1 . 1 . . . . . . . . 4898 1 333 . 1 1 24 24 TRP NE1 N 15 129.00 0.1 . 1 . . . . . . . . 4898 1 334 . 1 1 25 25 ALA H H 1 8.54 0.05 . 1 . . . . . . . . 4898 1 335 . 1 1 25 25 ALA HA H 1 4.18 0.05 . 1 . . . . . . . . 4898 1 336 . 1 1 25 25 ALA HB1 H 1 1.34 0.05 . 1 . . . . . . . . 4898 1 337 . 1 1 25 25 ALA HB2 H 1 1.34 0.05 . 1 . . . . . . . . 4898 1 338 . 1 1 25 25 ALA HB3 H 1 1.34 0.05 . 1 . . . . . . . . 4898 1 339 . 1 1 25 25 ALA C C 13 178.22 0.1 . 1 . . . . . . . . 4898 1 340 . 1 1 25 25 ALA CA C 13 52.80 0.1 . 1 . . . . . . . . 4898 1 341 . 1 1 25 25 ALA CB C 13 19.17 0.1 . 1 . . . . . . . . 4898 1 342 . 1 1 25 25 ALA N N 15 127.27 0.1 . 1 . . . . . . . . 4898 1 343 . 1 1 26 26 GLU H H 1 8.28 0.05 . 1 . . . . . . . . 4898 1 344 . 1 1 26 26 GLU HA H 1 4.36 0.05 . 1 . . . . . . . . 4898 1 345 . 1 1 26 26 GLU HB2 H 1 1.90 0.05 . 2 . . . . . . . . 4898 1 346 . 1 1 26 26 GLU HB3 H 1 2.10 0.05 . 2 . . . . . . . . 4898 1 347 . 1 1 26 26 GLU HG2 H 1 2.35 0.05 . 1 . . . . . . . . 4898 1 348 . 1 1 26 26 GLU HG3 H 1 2.35 0.05 . 1 . . . . . . . . 4898 1 349 . 1 1 26 26 GLU C C 13 177.15 0.1 . 1 . . . . . . . . 4898 1 350 . 1 1 26 26 GLU CA C 13 56.19 0.1 . 1 . . . . . . . . 4898 1 351 . 1 1 26 26 GLU CB C 13 30.07 0.1 . 1 . . . . . . . . 4898 1 352 . 1 1 26 26 GLU CG C 13 36.24 0.1 . 1 . . . . . . . . 4898 1 353 . 1 1 26 26 GLU N N 15 119.25 0.1 . 1 . . . . . . . . 4898 1 354 . 1 1 27 27 ASP H H 1 8.70 0.05 . 1 . . . . . . . . 4898 1 355 . 1 1 27 27 ASP HA H 1 4.32 0.05 . 1 . . . . . . . . 4898 1 356 . 1 1 27 27 ASP HB2 H 1 2.56 0.05 . 1 . . . . . . . . 4898 1 357 . 1 1 27 27 ASP HB3 H 1 2.56 0.05 . 1 . . . . . . . . 4898 1 358 . 1 1 27 27 ASP C C 13 177.42 0.1 . 1 . . . . . . . . 4898 1 359 . 1 1 27 27 ASP CA C 13 56.20 0.1 . 1 . . . . . . . . 4898 1 360 . 1 1 27 27 ASP CB C 13 40.80 0.1 . 1 . . . . . . . . 4898 1 361 . 1 1 27 27 ASP N N 15 123.63 0.1 . 1 . . . . . . . . 4898 1 362 . 1 1 28 28 ASN H H 1 8.34 0.05 . 1 . . . . . . . . 4898 1 363 . 1 1 28 28 ASN HA H 1 4.37 0.05 . 1 . . . . . . . . 4898 1 364 . 1 1 28 28 ASN HB2 H 1 2.74 0.05 . 1 . . . . . . . . 4898 1 365 . 1 1 28 28 ASN HB3 H 1 2.74 0.05 . 1 . . . . . . . . 4898 1 366 . 1 1 28 28 ASN HD21 H 1 6.83 0.05 . 2 . . . . . . . . 4898 1 367 . 1 1 28 28 ASN HD22 H 1 7.52 0.05 . 2 . . . . . . . . 4898 1 368 . 1 1 28 28 ASN C C 13 176.04 0.1 . 1 . . . . . . . . 4898 1 369 . 1 1 28 28 ASN CA C 13 54.40 0.1 . 1 . . . . . . . . 4898 1 370 . 1 1 28 28 ASN CB C 13 38.38 0.1 . 1 . . . . . . . . 4898 1 371 . 1 1 28 28 ASN CG C 13 176.79 0.1 . 1 . . . . . . . . 4898 1 372 . 1 1 28 28 ASN N N 15 112.17 0.1 . 1 . . . . . . . . 4898 1 373 . 1 1 28 28 ASN ND2 N 15 112.46 0.1 . 1 . . . . . . . . 4898 1 374 . 1 1 29 29 GLU H H 1 7.86 0.05 . 1 . . . . . . . . 4898 1 375 . 1 1 29 29 GLU HA H 1 4.29 0.05 . 1 . . . . . . . . 4898 1 376 . 1 1 29 29 GLU HB2 H 1 2.00 0.05 . 2 . . . . . . . . 4898 1 377 . 1 1 29 29 GLU HB3 H 1 2.13 0.05 . 2 . . . . . . . . 4898 1 378 . 1 1 29 29 GLU HG2 H 1 2.29 0.05 . 1 . . . . . . . . 4898 1 379 . 1 1 29 29 GLU HG3 H 1 2.29 0.05 . 1 . . . . . . . . 4898 1 380 . 1 1 29 29 GLU C C 13 176.33 0.1 . 1 . . . . . . . . 4898 1 381 . 1 1 29 29 GLU CA C 13 56.51 0.1 . 1 . . . . . . . . 4898 1 382 . 1 1 29 29 GLU CB C 13 30.57 0.1 . 1 . . . . . . . . 4898 1 383 . 1 1 29 29 GLU CG C 13 36.90 0.1 . 1 . . . . . . . . 4898 1 384 . 1 1 29 29 GLU N N 15 117.10 0.1 . 1 . . . . . . . . 4898 1 385 . 1 1 30 30 VAL H H 1 7.50 0.05 . 1 . . . . . . . . 4898 1 386 . 1 1 30 30 VAL HA H 1 4.35 0.05 . 1 . . . . . . . . 4898 1 387 . 1 1 30 30 VAL HB H 1 1.92 0.05 . 1 . . . . . . . . 4898 1 388 . 1 1 30 30 VAL HG11 H 1 0.86 0.05 . 2 . . . . . . . . 4898 1 389 . 1 1 30 30 VAL HG12 H 1 0.86 0.05 . 2 . . . . . . . . 4898 1 390 . 1 1 30 30 VAL HG13 H 1 0.86 0.05 . 2 . . . . . . . . 4898 1 391 . 1 1 30 30 VAL HG21 H 1 1.02 0.05 . 2 . . . . . . . . 4898 1 392 . 1 1 30 30 VAL HG22 H 1 1.02 0.05 . 2 . . . . . . . . 4898 1 393 . 1 1 30 30 VAL HG23 H 1 1.02 0.05 . 2 . . . . . . . . 4898 1 394 . 1 1 30 30 VAL C C 13 175.35 0.1 . 1 . . . . . . . . 4898 1 395 . 1 1 30 30 VAL CA C 13 61.79 0.1 . 1 . . . . . . . . 4898 1 396 . 1 1 30 30 VAL CB C 13 32.44 0.1 . 1 . . . . . . . . 4898 1 397 . 1 1 30 30 VAL CG1 C 13 21.32 0.1 . 2 . . . . . . . . 4898 1 398 . 1 1 30 30 VAL CG2 C 13 22.37 0.1 . 2 . . . . . . . . 4898 1 399 . 1 1 30 30 VAL N N 15 118.77 0.1 . 1 . . . . . . . . 4898 1 400 . 1 1 31 31 GLN H H 1 8.89 0.05 . 1 . . . . . . . . 4898 1 401 . 1 1 31 31 GLN HA H 1 4.47 0.05 . 1 . . . . . . . . 4898 1 402 . 1 1 31 31 GLN HB2 H 1 1.93 0.05 . 2 . . . . . . . . 4898 1 403 . 1 1 31 31 GLN HB3 H 1 2.28 0.05 . 2 . . . . . . . . 4898 1 404 . 1 1 31 31 GLN HG2 H 1 2.35 0.05 . 2 . . . . . . . . 4898 1 405 . 1 1 31 31 GLN HG3 H 1 2.39 0.05 . 2 . . . . . . . . 4898 1 406 . 1 1 31 31 GLN HE21 H 1 6.70 0.05 . 2 . . . . . . . . 4898 1 407 . 1 1 31 31 GLN HE22 H 1 7.29 0.05 . 2 . . . . . . . . 4898 1 408 . 1 1 31 31 GLN C C 13 175.51 0.1 . 1 . . . . . . . . 4898 1 409 . 1 1 31 31 GLN CA C 13 56.24 0.1 . 1 . . . . . . . . 4898 1 410 . 1 1 31 31 GLN CB C 13 29.88 0.1 . 1 . . . . . . . . 4898 1 411 . 1 1 31 31 GLN CG C 13 33.75 0.1 . 1 . . . . . . . . 4898 1 412 . 1 1 31 31 GLN CD C 13 180.15 0.1 . 1 . . . . . . . . 4898 1 413 . 1 1 31 31 GLN N N 15 123.29 0.1 . 1 . . . . . . . . 4898 1 414 . 1 1 31 31 GLN NE2 N 15 112.59 0.1 . 1 . . . . . . . . 4898 1 415 . 1 1 32 32 ASN H H 1 7.40 0.05 . 1 . . . . . . . . 4898 1 416 . 1 1 32 32 ASN HA H 1 4.79 0.05 . 1 . . . . . . . . 4898 1 417 . 1 1 32 32 ASN HB2 H 1 2.02 0.05 . 1 . . . . . . . . 4898 1 418 . 1 1 32 32 ASN HB3 H 1 2.02 0.05 . 1 . . . . . . . . 4898 1 419 . 1 1 32 32 ASN HD21 H 1 6.75 0.05 . 2 . . . . . . . . 4898 1 420 . 1 1 32 32 ASN HD22 H 1 7.13 0.05 . 2 . . . . . . . . 4898 1 421 . 1 1 32 32 ASN C C 13 172.48 0.1 . 1 . . . . . . . . 4898 1 422 . 1 1 32 32 ASN CA C 13 51.57 0.1 . 1 . . . . . . . . 4898 1 423 . 1 1 32 32 ASN CB C 13 41.64 0.1 . 1 . . . . . . . . 4898 1 424 . 1 1 32 32 ASN CG C 13 176.08 0.1 . 1 . . . . . . . . 4898 1 425 . 1 1 32 32 ASN N N 15 116.21 0.1 . 1 . . . . . . . . 4898 1 426 . 1 1 32 32 ASN ND2 N 15 112.09 0.1 . 1 . . . . . . . . 4898 1 427 . 1 1 33 33 CYS H H 1 8.46 0.05 . 1 . . . . . . . . 4898 1 428 . 1 1 33 33 CYS HA H 1 3.79 0.05 . 1 . . . . . . . . 4898 1 429 . 1 1 33 33 CYS HB2 H 1 2.47 0.05 . 2 . . . . . . . . 4898 1 430 . 1 1 33 33 CYS HB3 H 1 3.08 0.05 . 2 . . . . . . . . 4898 1 431 . 1 1 33 33 CYS C C 13 177.68 0.1 . 1 . . . . . . . . 4898 1 432 . 1 1 33 33 CYS CA C 13 60.70 0.1 . 1 . . . . . . . . 4898 1 433 . 1 1 33 33 CYS CB C 13 30.34 0.1 . 1 . . . . . . . . 4898 1 434 . 1 1 33 33 CYS N N 15 123.61 0.1 . 1 . . . . . . . . 4898 1 435 . 1 1 34 34 MET H H 1 8.06 0.05 . 1 . . . . . . . . 4898 1 436 . 1 1 34 34 MET HA H 1 4.02 0.05 . 1 . . . . . . . . 4898 1 437 . 1 1 34 34 MET HB2 H 1 1.42 0.05 . 2 . . . . . . . . 4898 1 438 . 1 1 34 34 MET HB3 H 1 2.10 0.05 . 2 . . . . . . . . 4898 1 439 . 1 1 34 34 MET HG2 H 1 2.50 0.05 . 2 . . . . . . . . 4898 1 440 . 1 1 34 34 MET HG3 H 1 2.73 0.05 . 2 . . . . . . . . 4898 1 441 . 1 1 34 34 MET HE1 H 1 2.13 0.05 . 1 . . . . . . . . 4898 1 442 . 1 1 34 34 MET HE2 H 1 2.13 0.05 . 1 . . . . . . . . 4898 1 443 . 1 1 34 34 MET HE3 H 1 2.13 0.05 . 1 . . . . . . . . 4898 1 444 . 1 1 34 34 MET C C 13 175.11 0.1 . 1 . . . . . . . . 4898 1 445 . 1 1 34 34 MET CA C 13 58.71 0.1 . 1 . . . . . . . . 4898 1 446 . 1 1 34 34 MET CB C 13 31.49 0.1 . 1 . . . . . . . . 4898 1 447 . 1 1 34 34 MET CG C 13 33.71 0.1 . 1 . . . . . . . . 4898 1 448 . 1 1 34 34 MET CE C 13 17.39 0.1 . 1 . . . . . . . . 4898 1 449 . 1 1 34 34 MET N N 15 129.16 0.1 . 1 . . . . . . . . 4898 1 450 . 1 1 35 35 ALA H H 1 9.22 0.05 . 1 . . . . . . . . 4898 1 451 . 1 1 35 35 ALA HA H 1 4.94 0.05 . 1 . . . . . . . . 4898 1 452 . 1 1 35 35 ALA HB1 H 1 2.03 0.05 . 1 . . . . . . . . 4898 1 453 . 1 1 35 35 ALA HB2 H 1 2.03 0.05 . 1 . . . . . . . . 4898 1 454 . 1 1 35 35 ALA HB3 H 1 2.03 0.05 . 1 . . . . . . . . 4898 1 455 . 1 1 35 35 ALA C C 13 177.99 0.1 . 1 . . . . . . . . 4898 1 456 . 1 1 35 35 ALA CA C 13 54.32 0.1 . 1 . . . . . . . . 4898 1 457 . 1 1 35 35 ALA CB C 13 21.07 0.1 . 1 . . . . . . . . 4898 1 458 . 1 1 35 35 ALA N N 15 123.35 0.1 . 1 . . . . . . . . 4898 1 459 . 1 1 36 36 CYS H H 1 8.43 0.05 . 1 . . . . . . . . 4898 1 460 . 1 1 36 36 CYS HA H 1 4.87 0.05 . 1 . . . . . . . . 4898 1 461 . 1 1 36 36 CYS HB2 H 1 2.73 0.05 . 2 . . . . . . . . 4898 1 462 . 1 1 36 36 CYS HB3 H 1 3.22 0.05 . 2 . . . . . . . . 4898 1 463 . 1 1 36 36 CYS C C 13 177.34 0.1 . 1 . . . . . . . . 4898 1 464 . 1 1 36 36 CYS CA C 13 59.56 0.1 . 1 . . . . . . . . 4898 1 465 . 1 1 36 36 CYS CB C 13 32.93 0.1 . 1 . . . . . . . . 4898 1 466 . 1 1 36 36 CYS N N 15 117.50 0.1 . 1 . . . . . . . . 4898 1 467 . 1 1 37 37 GLY H H 1 7.67 0.05 . 1 . . . . . . . . 4898 1 468 . 1 1 37 37 GLY HA2 H 1 3.71 0.05 . 2 . . . . . . . . 4898 1 469 . 1 1 37 37 GLY HA3 H 1 4.19 0.05 . 2 . . . . . . . . 4898 1 470 . 1 1 37 37 GLY C C 13 174.05 0.1 . 1 . . . . . . . . 4898 1 471 . 1 1 37 37 GLY CA C 13 46.18 0.1 . 1 . . . . . . . . 4898 1 472 . 1 1 37 37 GLY N N 15 111.52 0.1 . 1 . . . . . . . . 4898 1 473 . 1 1 38 38 LYS H H 1 8.80 0.05 . 1 . . . . . . . . 4898 1 474 . 1 1 38 38 LYS HA H 1 4.03 0.05 . 1 . . . . . . . . 4898 1 475 . 1 1 38 38 LYS HB2 H 1 1.42 0.05 . 2 . . . . . . . . 4898 1 476 . 1 1 38 38 LYS HB3 H 1 1.97 0.05 . 2 . . . . . . . . 4898 1 477 . 1 1 38 38 LYS HG2 H 1 1.37 0.05 . 1 . . . . . . . . 4898 1 478 . 1 1 38 38 LYS HG3 H 1 1.37 0.05 . 1 . . . . . . . . 4898 1 479 . 1 1 38 38 LYS HD2 H 1 1.60 0.05 . 2 . . . . . . . . 4898 1 480 . 1 1 38 38 LYS HD3 H 1 1.76 0.05 . 2 . . . . . . . . 4898 1 481 . 1 1 38 38 LYS HE2 H 1 3.03 0.05 . 2 . . . . . . . . 4898 1 482 . 1 1 38 38 LYS HE3 H 1 3.17 0.05 . 2 . . . . . . . . 4898 1 483 . 1 1 38 38 LYS C C 13 176.01 0.1 . 1 . . . . . . . . 4898 1 484 . 1 1 38 38 LYS CA C 13 57.87 0.1 . 1 . . . . . . . . 4898 1 485 . 1 1 38 38 LYS CB C 13 33.42 0.1 . 1 . . . . . . . . 4898 1 486 . 1 1 38 38 LYS CG C 13 24.27 0.1 . 1 . . . . . . . . 4898 1 487 . 1 1 38 38 LYS CD C 13 30.17 0.1 . 1 . . . . . . . . 4898 1 488 . 1 1 38 38 LYS CE C 13 41.38 0.1 . 1 . . . . . . . . 4898 1 489 . 1 1 38 38 LYS N N 15 126.63 0.1 . 1 . . . . . . . . 4898 1 490 . 1 1 39 39 GLY H H 1 8.57 0.05 . 1 . . . . . . . . 4898 1 491 . 1 1 39 39 GLY HA2 H 1 3.45 0.05 . 2 . . . . . . . . 4898 1 492 . 1 1 39 39 GLY HA3 H 1 4.18 0.05 . 2 . . . . . . . . 4898 1 493 . 1 1 39 39 GLY C C 13 173.88 0.1 . 1 . . . . . . . . 4898 1 494 . 1 1 39 39 GLY CA C 13 45.53 0.1 . 1 . . . . . . . . 4898 1 495 . 1 1 39 39 GLY N N 15 111.08 0.1 . 1 . . . . . . . . 4898 1 496 . 1 1 40 40 PHE H H 1 7.43 0.05 . 1 . . . . . . . . 4898 1 497 . 1 1 40 40 PHE HA H 1 4.90 0.05 . 1 . . . . . . . . 4898 1 498 . 1 1 40 40 PHE HB2 H 1 2.43 0.05 . 2 . . . . . . . . 4898 1 499 . 1 1 40 40 PHE HB3 H 1 3.33 0.05 . 2 . . . . . . . . 4898 1 500 . 1 1 40 40 PHE HD1 H 1 6.92 0.05 . 1 . . . . . . . . 4898 1 501 . 1 1 40 40 PHE HD2 H 1 6.92 0.05 . 1 . . . . . . . . 4898 1 502 . 1 1 40 40 PHE HE1 H 1 6.71 0.05 . 1 . . . . . . . . 4898 1 503 . 1 1 40 40 PHE HE2 H 1 6.71 0.05 . 1 . . . . . . . . 4898 1 504 . 1 1 40 40 PHE HZ H 1 6.54 0.05 . 1 . . . . . . . . 4898 1 505 . 1 1 40 40 PHE C C 13 176.49 0.1 . 1 . . . . . . . . 4898 1 506 . 1 1 40 40 PHE CA C 13 58.79 0.1 . 1 . . . . . . . . 4898 1 507 . 1 1 40 40 PHE CB C 13 39.02 0.1 . 1 . . . . . . . . 4898 1 508 . 1 1 40 40 PHE CD1 C 13 131.76 0.1 . 1 . . . . . . . . 4898 1 509 . 1 1 40 40 PHE CD2 C 13 131.76 0.1 . 1 . . . . . . . . 4898 1 510 . 1 1 40 40 PHE CE1 C 13 130.61 0.1 . 1 . . . . . . . . 4898 1 511 . 1 1 40 40 PHE CE2 C 13 130.61 0.1 . 1 . . . . . . . . 4898 1 512 . 1 1 40 40 PHE CZ C 13 127.71 0.1 . 1 . . . . . . . . 4898 1 513 . 1 1 40 40 PHE N N 15 121.50 0.1 . 1 . . . . . . . . 4898 1 514 . 1 1 41 41 SER H H 1 9.60 0.05 . 1 . . . . . . . . 4898 1 515 . 1 1 41 41 SER HA H 1 4.80 0.05 . 1 . . . . . . . . 4898 1 516 . 1 1 41 41 SER HB2 H 1 3.86 0.05 . 2 . . . . . . . . 4898 1 517 . 1 1 41 41 SER HB3 H 1 4.27 0.05 . 2 . . . . . . . . 4898 1 518 . 1 1 41 41 SER C C 13 174.73 0.1 . 1 . . . . . . . . 4898 1 519 . 1 1 41 41 SER CA C 13 57.37 0.1 . 1 . . . . . . . . 4898 1 520 . 1 1 41 41 SER CB C 13 66.30 0.1 . 1 . . . . . . . . 4898 1 521 . 1 1 41 41 SER N N 15 118.34 0.1 . 1 . . . . . . . . 4898 1 522 . 1 1 42 42 VAL H H 1 8.40 0.05 . 1 . . . . . . . . 4898 1 523 . 1 1 42 42 VAL HA H 1 3.88 0.05 . 1 . . . . . . . . 4898 1 524 . 1 1 42 42 VAL HB H 1 2.16 0.05 . 1 . . . . . . . . 4898 1 525 . 1 1 42 42 VAL HG11 H 1 1.01 0.05 . 2 . . . . . . . . 4898 1 526 . 1 1 42 42 VAL HG12 H 1 1.01 0.05 . 2 . . . . . . . . 4898 1 527 . 1 1 42 42 VAL HG13 H 1 1.01 0.05 . 2 . . . . . . . . 4898 1 528 . 1 1 42 42 VAL C C 13 177.19 0.1 . 1 . . . . . . . . 4898 1 529 . 1 1 42 42 VAL CA C 13 65.50 0.1 . 1 . . . . . . . . 4898 1 530 . 1 1 42 42 VAL CB C 13 31.61 0.1 . 1 . . . . . . . . 4898 1 531 . 1 1 42 42 VAL CG1 C 13 21.42 0.1 . 2 . . . . . . . . 4898 1 532 . 1 1 42 42 VAL N N 15 116.62 0.1 . 1 . . . . . . . . 4898 1 533 . 1 1 43 43 THR H H 1 7.77 0.05 . 1 . . . . . . . . 4898 1 534 . 1 1 43 43 THR HA H 1 4.41 0.05 . 1 . . . . . . . . 4898 1 535 . 1 1 43 43 THR HB H 1 4.27 0.05 . 1 . . . . . . . . 4898 1 536 . 1 1 43 43 THR HG21 H 1 1.20 0.05 . 1 . . . . . . . . 4898 1 537 . 1 1 43 43 THR HG22 H 1 1.20 0.05 . 1 . . . . . . . . 4898 1 538 . 1 1 43 43 THR HG23 H 1 1.20 0.05 . 1 . . . . . . . . 4898 1 539 . 1 1 43 43 THR C C 13 174.77 0.1 . 1 . . . . . . . . 4898 1 540 . 1 1 43 43 THR CA C 13 62.50 0.1 . 1 . . . . . . . . 4898 1 541 . 1 1 43 43 THR CB C 13 69.26 0.1 . 1 . . . . . . . . 4898 1 542 . 1 1 43 43 THR CG2 C 13 22.64 0.1 . 1 . . . . . . . . 4898 1 543 . 1 1 43 43 THR N N 15 108.23 0.1 . 1 . . . . . . . . 4898 1 544 . 1 1 44 44 VAL H H 1 7.56 0.05 . 1 . . . . . . . . 4898 1 545 . 1 1 44 44 VAL HA H 1 4.23 0.05 . 1 . . . . . . . . 4898 1 546 . 1 1 44 44 VAL HB H 1 2.41 0.05 . 1 . . . . . . . . 4898 1 547 . 1 1 44 44 VAL HG11 H 1 0.89 0.05 . 2 . . . . . . . . 4898 1 548 . 1 1 44 44 VAL HG12 H 1 0.89 0.05 . 2 . . . . . . . . 4898 1 549 . 1 1 44 44 VAL HG13 H 1 0.89 0.05 . 2 . . . . . . . . 4898 1 550 . 1 1 44 44 VAL HG21 H 1 0.94 0.05 . 2 . . . . . . . . 4898 1 551 . 1 1 44 44 VAL HG22 H 1 0.94 0.05 . 2 . . . . . . . . 4898 1 552 . 1 1 44 44 VAL HG23 H 1 0.94 0.05 . 2 . . . . . . . . 4898 1 553 . 1 1 44 44 VAL C C 13 174.25 0.1 . 1 . . . . . . . . 4898 1 554 . 1 1 44 44 VAL CA C 13 61.82 0.1 . 1 . . . . . . . . 4898 1 555 . 1 1 44 44 VAL CB C 13 31.59 0.1 . 1 . . . . . . . . 4898 1 556 . 1 1 44 44 VAL CG1 C 13 20.86 0.1 . 2 . . . . . . . . 4898 1 557 . 1 1 44 44 VAL CG2 C 13 21.42 0.1 . 2 . . . . . . . . 4898 1 558 . 1 1 44 44 VAL N N 15 126.95 0.1 . 1 . . . . . . . . 4898 1 559 . 1 1 45 45 ARG H H 1 7.84 0.05 . 1 . . . . . . . . 4898 1 560 . 1 1 45 45 ARG HA H 1 4.39 0.05 . 1 . . . . . . . . 4898 1 561 . 1 1 45 45 ARG HB2 H 1 1.86 0.05 . 1 . . . . . . . . 4898 1 562 . 1 1 45 45 ARG HB3 H 1 1.86 0.05 . 1 . . . . . . . . 4898 1 563 . 1 1 45 45 ARG HG2 H 1 1.61 0.05 . 1 . . . . . . . . 4898 1 564 . 1 1 45 45 ARG HG3 H 1 1.61 0.05 . 1 . . . . . . . . 4898 1 565 . 1 1 45 45 ARG HD2 H 1 3.16 0.05 . 1 . . . . . . . . 4898 1 566 . 1 1 45 45 ARG HD3 H 1 3.16 0.05 . 1 . . . . . . . . 4898 1 567 . 1 1 45 45 ARG HE H 1 7.80 0.05 . 1 . . . . . . . . 4898 1 568 . 1 1 45 45 ARG C C 13 175.80 0.1 . 1 . . . . . . . . 4898 1 569 . 1 1 45 45 ARG CA C 13 55.39 0.1 . 1 . . . . . . . . 4898 1 570 . 1 1 45 45 ARG CB C 13 31.16 0.1 . 1 . . . . . . . . 4898 1 571 . 1 1 45 45 ARG CG C 13 27.24 0.1 . 1 . . . . . . . . 4898 1 572 . 1 1 45 45 ARG CD C 13 43.24 0.1 . 1 . . . . . . . . 4898 1 573 . 1 1 45 45 ARG N N 15 123.00 0.1 . 1 . . . . . . . . 4898 1 574 . 1 1 45 45 ARG NE N 15 84.51 0.1 . 1 . . . . . . . . 4898 1 575 . 1 1 46 46 ARG H H 1 7.91 0.05 . 1 . . . . . . . . 4898 1 576 . 1 1 46 46 ARG HA H 1 3.21 0.05 . 1 . . . . . . . . 4898 1 577 . 1 1 46 46 ARG HB2 H 1 0.64 0.05 . 2 . . . . . . . . 4898 1 578 . 1 1 46 46 ARG HB3 H 1 1.13 0.05 . 2 . . . . . . . . 4898 1 579 . 1 1 46 46 ARG HG2 H 1 -0.86 0.05 . 2 . . . . . . . . 4898 1 580 . 1 1 46 46 ARG HG3 H 1 0.74 0.05 . 2 . . . . . . . . 4898 1 581 . 1 1 46 46 ARG HD2 H 1 2.47 0.05 . 2 . . . . . . . . 4898 1 582 . 1 1 46 46 ARG HD3 H 1 2.61 0.05 . 2 . . . . . . . . 4898 1 583 . 1 1 46 46 ARG HE H 1 6.55 0.05 . 1 . . . . . . . . 4898 1 584 . 1 1 46 46 ARG HH11 H 1 6.58 0.05 . 2 . . . . . . . . 4898 1 585 . 1 1 46 46 ARG HH12 H 1 6.76 0.05 . 2 . . . . . . . . 4898 1 586 . 1 1 46 46 ARG HH21 H 1 6.58 0.05 . 2 . . . . . . . . 4898 1 587 . 1 1 46 46 ARG HH22 H 1 6.76 0.05 . 2 . . . . . . . . 4898 1 588 . 1 1 46 46 ARG C C 13 176.14 0.1 . 1 . . . . . . . . 4898 1 589 . 1 1 46 46 ARG CA C 13 56.21 0.1 . 1 . . . . . . . . 4898 1 590 . 1 1 46 46 ARG CB C 13 31.75 0.1 . 1 . . . . . . . . 4898 1 591 . 1 1 46 46 ARG CG C 13 26.23 0.1 . 1 . . . . . . . . 4898 1 592 . 1 1 46 46 ARG CD C 13 42.99 0.1 . 1 . . . . . . . . 4898 1 593 . 1 1 46 46 ARG N N 15 116.82 0.1 . 1 . . . . . . . . 4898 1 594 . 1 1 46 46 ARG NE N 15 83.75 0.1 . 1 . . . . . . . . 4898 1 595 . 1 1 46 46 ARG NH1 N 15 71.72 0.1 . 2 . . . . . . . . 4898 1 596 . 1 1 46 46 ARG NH2 N 15 72.25 0.1 . 2 . . . . . . . . 4898 1 597 . 1 1 47 47 HIS H H 1 7.70 0.05 . 1 . . . . . . . . 4898 1 598 . 1 1 47 47 HIS HA H 1 4.45 0.05 . 1 . . . . . . . . 4898 1 599 . 1 1 47 47 HIS HB2 H 1 3.21 0.05 . 2 . . . . . . . . 4898 1 600 . 1 1 47 47 HIS HB3 H 1 3.14 0.05 . 2 . . . . . . . . 4898 1 601 . 1 1 47 47 HIS HD2 H 1 6.70 0.05 . 1 . . . . . . . . 4898 1 602 . 1 1 47 47 HIS HE1 H 1 7.70 0.05 . 1 . . . . . . . . 4898 1 603 . 1 1 47 47 HIS C C 13 173.85 0.1 . 1 . . . . . . . . 4898 1 604 . 1 1 47 47 HIS CA C 13 55.22 0.1 . 1 . . . . . . . . 4898 1 605 . 1 1 47 47 HIS CD2 C 13 118.88 0.1 . 1 . . . . . . . . 4898 1 606 . 1 1 47 47 HIS CE1 C 13 137.94 0.1 . 1 . . . . . . . . 4898 1 607 . 1 1 47 47 HIS N N 15 114.09 0.1 . 1 . . . . . . . . 4898 1 608 . 1 1 48 48 HIS H H 1 8.53 0.05 . 1 . . . . . . . . 4898 1 609 . 1 1 48 48 HIS HA H 1 5.29 0.05 . 1 . . . . . . . . 4898 1 610 . 1 1 48 48 HIS HB2 H 1 2.77 0.05 . 2 . . . . . . . . 4898 1 611 . 1 1 48 48 HIS HB3 H 1 2.84 0.05 . 2 . . . . . . . . 4898 1 612 . 1 1 48 48 HIS HD2 H 1 6.84 0.05 . 1 . . . . . . . . 4898 1 613 . 1 1 48 48 HIS HE1 H 1 7.92 0.05 . 1 . . . . . . . . 4898 1 614 . 1 1 48 48 HIS C C 13 175.42 0.1 . 1 . . . . . . . . 4898 1 615 . 1 1 48 48 HIS CA C 13 54.69 0.1 . 1 . . . . . . . . 4898 1 616 . 1 1 48 48 HIS CB C 13 30.84 0.1 . 1 . . . . . . . . 4898 1 617 . 1 1 48 48 HIS CD2 C 13 119.66 0.1 . 1 . . . . . . . . 4898 1 618 . 1 1 48 48 HIS CE1 C 13 138.40 0.1 . 1 . . . . . . . . 4898 1 619 . 1 1 48 48 HIS N N 15 117.80 0.1 . 1 . . . . . . . . 4898 1 620 . 1 1 49 49 CYS H H 1 8.46 0.05 . 1 . . . . . . . . 4898 1 621 . 1 1 49 49 CYS HA H 1 4.43 0.05 . 1 . . . . . . . . 4898 1 622 . 1 1 49 49 CYS HB2 H 1 2.72 0.05 . 2 . . . . . . . . 4898 1 623 . 1 1 49 49 CYS HB3 H 1 3.59 0.05 . 2 . . . . . . . . 4898 1 624 . 1 1 49 49 CYS C C 13 177.16 0.1 . 1 . . . . . . . . 4898 1 625 . 1 1 49 49 CYS CA C 13 58.54 0.1 . 1 . . . . . . . . 4898 1 626 . 1 1 49 49 CYS CB C 13 32.62 0.1 . 1 . . . . . . . . 4898 1 627 . 1 1 49 49 CYS N N 15 123.66 0.1 . 1 . . . . . . . . 4898 1 628 . 1 1 50 50 ARG H H 1 9.22 0.05 . 1 . . . . . . . . 4898 1 629 . 1 1 50 50 ARG HA H 1 4.33 0.05 . 1 . . . . . . . . 4898 1 630 . 1 1 50 50 ARG HB2 H 1 2.08 0.05 . 2 . . . . . . . . 4898 1 631 . 1 1 50 50 ARG HB3 H 1 2.19 0.05 . 2 . . . . . . . . 4898 1 632 . 1 1 50 50 ARG HG2 H 1 2.04 0.05 . 1 . . . . . . . . 4898 1 633 . 1 1 50 50 ARG HG3 H 1 2.04 0.05 . 1 . . . . . . . . 4898 1 634 . 1 1 50 50 ARG HD2 H 1 3.14 0.05 . 2 . . . . . . . . 4898 1 635 . 1 1 50 50 ARG HD3 H 1 3.16 0.05 . 2 . . . . . . . . 4898 1 636 . 1 1 50 50 ARG HE H 1 8.01 0.05 . 1 . . . . . . . . 4898 1 637 . 1 1 50 50 ARG HH11 H 1 6.29 0.05 . 2 . . . . . . . . 4898 1 638 . 1 1 50 50 ARG HH12 H 1 6.41 0.05 . 2 . . . . . . . . 4898 1 639 . 1 1 50 50 ARG HH21 H 1 6.29 0.05 . 2 . . . . . . . . 4898 1 640 . 1 1 50 50 ARG HH22 H 1 6.41 0.05 . 2 . . . . . . . . 4898 1 641 . 1 1 50 50 ARG C C 13 176.35 0.1 . 1 . . . . . . . . 4898 1 642 . 1 1 50 50 ARG CA C 13 58.64 0.1 . 1 . . . . . . . . 4898 1 643 . 1 1 50 50 ARG CB C 13 30.61 0.1 . 1 . . . . . . . . 4898 1 644 . 1 1 50 50 ARG CG C 13 30.61 0.1 . 1 . . . . . . . . 4898 1 645 . 1 1 50 50 ARG CD C 13 43.03 0.1 . 1 . . . . . . . . 4898 1 646 . 1 1 50 50 ARG N N 15 129.92 0.1 . 1 . . . . . . . . 4898 1 647 . 1 1 50 50 ARG NE N 15 82.42 0.1 . 1 . . . . . . . . 4898 1 648 . 1 1 50 50 ARG NH1 N 15 70.38 0.1 . 2 . . . . . . . . 4898 1 649 . 1 1 50 50 ARG NH2 N 15 72.42 0.1 . 2 . . . . . . . . 4898 1 650 . 1 1 51 51 GLN H H 1 9.48 0.05 . 1 . . . . . . . . 4898 1 651 . 1 1 51 51 GLN HA H 1 4.91 0.05 . 1 . . . . . . . . 4898 1 652 . 1 1 51 51 GLN HB2 H 1 1.97 0.05 . 2 . . . . . . . . 4898 1 653 . 1 1 51 51 GLN HB3 H 1 2.49 0.05 . 2 . . . . . . . . 4898 1 654 . 1 1 51 51 GLN HG2 H 1 2.38 0.05 . 1 . . . . . . . . 4898 1 655 . 1 1 51 51 GLN HG3 H 1 2.38 0.05 . 1 . . . . . . . . 4898 1 656 . 1 1 51 51 GLN HE21 H 1 6.44 0.05 . 2 . . . . . . . . 4898 1 657 . 1 1 51 51 GLN HE22 H 1 7.52 0.05 . 2 . . . . . . . . 4898 1 658 . 1 1 51 51 GLN C C 13 175.89 0.1 . 1 . . . . . . . . 4898 1 659 . 1 1 51 51 GLN CA C 13 57.63 0.1 . 1 . . . . . . . . 4898 1 660 . 1 1 51 51 GLN CB C 13 28.83 0.1 . 1 . . . . . . . . 4898 1 661 . 1 1 51 51 GLN CG C 13 32.86 0.1 . 1 . . . . . . . . 4898 1 662 . 1 1 51 51 GLN CD C 13 178.43 0.1 . 1 . . . . . . . . 4898 1 663 . 1 1 51 51 GLN N N 15 123.78 0.1 . 1 . . . . . . . . 4898 1 664 . 1 1 51 51 GLN NE2 N 15 109.22 0.1 . 1 . . . . . . . . 4898 1 665 . 1 1 52 52 CYS H H 1 8.92 0.05 . 1 . . . . . . . . 4898 1 666 . 1 1 52 52 CYS HA H 1 4.84 0.05 . 1 . . . . . . . . 4898 1 667 . 1 1 52 52 CYS HB2 H 1 2.86 0.05 . 2 . . . . . . . . 4898 1 668 . 1 1 52 52 CYS HB3 H 1 3.24 0.05 . 2 . . . . . . . . 4898 1 669 . 1 1 52 52 CYS C C 13 176.69 0.1 . 1 . . . . . . . . 4898 1 670 . 1 1 52 52 CYS CA C 13 59.32 0.1 . 1 . . . . . . . . 4898 1 671 . 1 1 52 52 CYS CB C 13 32.25 0.1 . 1 . . . . . . . . 4898 1 672 . 1 1 52 52 CYS N N 15 119.64 0.1 . 1 . . . . . . . . 4898 1 673 . 1 1 53 53 GLY H H 1 7.72 0.05 . 1 . . . . . . . . 4898 1 674 . 1 1 53 53 GLY HA2 H 1 3.82 0.05 . 2 . . . . . . . . 4898 1 675 . 1 1 53 53 GLY HA3 H 1 4.26 0.05 . 2 . . . . . . . . 4898 1 676 . 1 1 53 53 GLY C C 13 173.29 0.1 . 1 . . . . . . . . 4898 1 677 . 1 1 53 53 GLY CA C 13 46.72 0.1 . 1 . . . . . . . . 4898 1 678 . 1 1 53 53 GLY N N 15 111.27 0.1 . 1 . . . . . . . . 4898 1 679 . 1 1 54 54 ASN H H 1 8.26 0.05 . 1 . . . . . . . . 4898 1 680 . 1 1 54 54 ASN HA H 1 4.98 0.05 . 1 . . . . . . . . 4898 1 681 . 1 1 54 54 ASN HB2 H 1 2.80 0.05 . 2 . . . . . . . . 4898 1 682 . 1 1 54 54 ASN HB3 H 1 3.52 0.05 . 2 . . . . . . . . 4898 1 683 . 1 1 54 54 ASN HD21 H 1 7.20 0.05 . 2 . . . . . . . . 4898 1 684 . 1 1 54 54 ASN HD22 H 1 7.65 0.05 . 2 . . . . . . . . 4898 1 685 . 1 1 54 54 ASN C C 13 172.73 0.1 . 1 . . . . . . . . 4898 1 686 . 1 1 54 54 ASN CA C 13 52.91 0.1 . 1 . . . . . . . . 4898 1 687 . 1 1 54 54 ASN CB C 13 39.92 0.1 . 1 . . . . . . . . 4898 1 688 . 1 1 54 54 ASN CG C 13 176.54 0.1 . 1 . . . . . . . . 4898 1 689 . 1 1 54 54 ASN N N 15 118.85 0.1 . 1 . . . . . . . . 4898 1 690 . 1 1 54 54 ASN ND2 N 15 114.58 0.1 . 1 . . . . . . . . 4898 1 691 . 1 1 55 55 ILE H H 1 6.95 0.05 . 1 . . . . . . . . 4898 1 692 . 1 1 55 55 ILE HA H 1 4.47 0.05 . 1 . . . . . . . . 4898 1 693 . 1 1 55 55 ILE HB H 1 1.12 0.05 . 1 . . . . . . . . 4898 1 694 . 1 1 55 55 ILE HG12 H 1 0.87 0.05 . 1 . . . . . . . . 4898 1 695 . 1 1 55 55 ILE HG13 H 1 0.87 0.05 . 1 . . . . . . . . 4898 1 696 . 1 1 55 55 ILE HG21 H 1 0.36 0.05 . 1 . . . . . . . . 4898 1 697 . 1 1 55 55 ILE HG22 H 1 0.36 0.05 . 1 . . . . . . . . 4898 1 698 . 1 1 55 55 ILE HG23 H 1 0.36 0.05 . 1 . . . . . . . . 4898 1 699 . 1 1 55 55 ILE HD11 H 1 0.46 0.05 . 1 . . . . . . . . 4898 1 700 . 1 1 55 55 ILE HD12 H 1 0.46 0.05 . 1 . . . . . . . . 4898 1 701 . 1 1 55 55 ILE HD13 H 1 0.46 0.05 . 1 . . . . . . . . 4898 1 702 . 1 1 55 55 ILE C C 13 173.18 0.1 . 1 . . . . . . . . 4898 1 703 . 1 1 55 55 ILE CA C 13 60.92 0.1 . 1 . . . . . . . . 4898 1 704 . 1 1 55 55 ILE CB C 13 39.39 0.1 . 1 . . . . . . . . 4898 1 705 . 1 1 55 55 ILE CG1 C 13 28.01 0.1 . 1 . . . . . . . . 4898 1 706 . 1 1 55 55 ILE CG2 C 13 19.06 0.1 . 1 . . . . . . . . 4898 1 707 . 1 1 55 55 ILE CD1 C 13 13.96 0.1 . 1 . . . . . . . . 4898 1 708 . 1 1 55 55 ILE N N 15 117.28 0.1 . 1 . . . . . . . . 4898 1 709 . 1 1 56 56 PHE H H 1 8.69 0.05 . 1 . . . . . . . . 4898 1 710 . 1 1 56 56 PHE HA H 1 5.87 0.05 . 1 . . . . . . . . 4898 1 711 . 1 1 56 56 PHE HB2 H 1 2.16 0.05 . 2 . . . . . . . . 4898 1 712 . 1 1 56 56 PHE HB3 H 1 3.39 0.05 . 2 . . . . . . . . 4898 1 713 . 1 1 56 56 PHE HD1 H 1 7.24 0.05 . 1 . . . . . . . . 4898 1 714 . 1 1 56 56 PHE HD2 H 1 7.24 0.05 . 1 . . . . . . . . 4898 1 715 . 1 1 56 56 PHE HE1 H 1 7.07 0.05 . 1 . . . . . . . . 4898 1 716 . 1 1 56 56 PHE HE2 H 1 7.07 0.05 . 1 . . . . . . . . 4898 1 717 . 1 1 56 56 PHE HZ H 1 7.50 0.05 . 1 . . . . . . . . 4898 1 718 . 1 1 56 56 PHE C C 13 175.26 0.1 . 1 . . . . . . . . 4898 1 719 . 1 1 56 56 PHE CA C 13 56.45 0.1 . 1 . . . . . . . . 4898 1 720 . 1 1 56 56 PHE CB C 13 46.17 0.1 . 1 . . . . . . . . 4898 1 721 . 1 1 56 56 PHE CD1 C 13 132.20 0.1 . 1 . . . . . . . . 4898 1 722 . 1 1 56 56 PHE CD2 C 13 132.20 0.1 . 1 . . . . . . . . 4898 1 723 . 1 1 56 56 PHE CE1 C 13 132.35 0.1 . 1 . . . . . . . . 4898 1 724 . 1 1 56 56 PHE CE2 C 13 132.35 0.1 . 1 . . . . . . . . 4898 1 725 . 1 1 56 56 PHE CZ C 13 131.35 0.1 . 1 . . . . . . . . 4898 1 726 . 1 1 56 56 PHE N N 15 122.78 0.1 . 1 . . . . . . . . 4898 1 727 . 1 1 57 57 CYS H H 1 9.82 0.05 . 1 . . . . . . . . 4898 1 728 . 1 1 57 57 CYS HA H 1 5.32 0.05 . 1 . . . . . . . . 4898 1 729 . 1 1 57 57 CYS HB2 H 1 2.67 0.05 . 2 . . . . . . . . 4898 1 730 . 1 1 57 57 CYS HB3 H 1 3.59 0.05 . 2 . . . . . . . . 4898 1 731 . 1 1 57 57 CYS C C 13 176.98 0.1 . 1 . . . . . . . . 4898 1 732 . 1 1 57 57 CYS CA C 13 58.23 0.1 . 1 . . . . . . . . 4898 1 733 . 1 1 57 57 CYS CB C 13 31.45 0.1 . 1 . . . . . . . . 4898 1 734 . 1 1 57 57 CYS N N 15 119.10 0.1 . 1 . . . . . . . . 4898 1 735 . 1 1 58 58 ALA H H 1 9.90 0.05 . 1 . . . . . . . . 4898 1 736 . 1 1 58 58 ALA HA H 1 3.38 0.05 . 1 . . . . . . . . 4898 1 737 . 1 1 58 58 ALA HB1 H 1 1.40 0.05 . 1 . . . . . . . . 4898 1 738 . 1 1 58 58 ALA HB2 H 1 1.40 0.05 . 1 . . . . . . . . 4898 1 739 . 1 1 58 58 ALA HB3 H 1 1.40 0.05 . 1 . . . . . . . . 4898 1 740 . 1 1 58 58 ALA C C 13 179.99 0.1 . 1 . . . . . . . . 4898 1 741 . 1 1 58 58 ALA CA C 13 54.97 0.1 . 1 . . . . . . . . 4898 1 742 . 1 1 58 58 ALA CB C 13 18.50 0.1 . 1 . . . . . . . . 4898 1 743 . 1 1 58 58 ALA N N 15 123.58 0.1 . 1 . . . . . . . . 4898 1 744 . 1 1 59 59 GLU H H 1 8.48 0.05 . 1 . . . . . . . . 4898 1 745 . 1 1 59 59 GLU HA H 1 3.98 0.05 . 1 . . . . . . . . 4898 1 746 . 1 1 59 59 GLU HB2 H 1 2.05 0.05 . 2 . . . . . . . . 4898 1 747 . 1 1 59 59 GLU HB3 H 1 2.36 0.05 . 2 . . . . . . . . 4898 1 748 . 1 1 59 59 GLU HG2 H 1 2.25 0.05 . 2 . . . . . . . . 4898 1 749 . 1 1 59 59 GLU HG3 H 1 2.46 0.05 . 2 . . . . . . . . 4898 1 750 . 1 1 59 59 GLU C C 13 178.90 0.1 . 1 . . . . . . . . 4898 1 751 . 1 1 59 59 GLU CA C 13 60.46 0.1 . 1 . . . . . . . . 4898 1 752 . 1 1 59 59 GLU CB C 13 29.27 0.1 . 1 . . . . . . . . 4898 1 753 . 1 1 59 59 GLU CG C 13 38.39 0.1 . 1 . . . . . . . . 4898 1 754 . 1 1 59 59 GLU N N 15 118.50 0.1 . 1 . . . . . . . . 4898 1 755 . 1 1 60 60 CYS H H 1 7.98 0.05 . 1 . . . . . . . . 4898 1 756 . 1 1 60 60 CYS HA H 1 4.20 0.05 . 1 . . . . . . . . 4898 1 757 . 1 1 60 60 CYS HB2 H 1 3.05 0.05 . 2 . . . . . . . . 4898 1 758 . 1 1 60 60 CYS HB3 H 1 3.36 0.05 . 2 . . . . . . . . 4898 1 759 . 1 1 60 60 CYS C C 13 173.60 0.1 . 1 . . . . . . . . 4898 1 760 . 1 1 60 60 CYS CA C 13 61.07 0.1 . 1 . . . . . . . . 4898 1 761 . 1 1 60 60 CYS CB C 13 31.18 0.1 . 1 . . . . . . . . 4898 1 762 . 1 1 60 60 CYS N N 15 121.80 0.1 . 1 . . . . . . . . 4898 1 763 . 1 1 61 61 SER H H 1 7.35 0.05 . 1 . . . . . . . . 4898 1 764 . 1 1 61 61 SER HA H 1 4.75 0.05 . 1 . . . . . . . . 4898 1 765 . 1 1 61 61 SER HB2 H 1 3.05 0.05 . 2 . . . . . . . . 4898 1 766 . 1 1 61 61 SER HB3 H 1 3.51 0.05 . 2 . . . . . . . . 4898 1 767 . 1 1 61 61 SER C C 13 172.69 0.1 . 1 . . . . . . . . 4898 1 768 . 1 1 61 61 SER CA C 13 56.70 0.1 . 1 . . . . . . . . 4898 1 769 . 1 1 61 61 SER CB C 13 61.85 0.1 . 1 . . . . . . . . 4898 1 770 . 1 1 61 61 SER N N 15 113.15 0.1 . 1 . . . . . . . . 4898 1 771 . 1 1 62 62 ALA H H 1 8.16 0.05 . 1 . . . . . . . . 4898 1 772 . 1 1 62 62 ALA HA H 1 4.18 0.05 . 1 . . . . . . . . 4898 1 773 . 1 1 62 62 ALA HB1 H 1 1.34 0.05 . 1 . . . . . . . . 4898 1 774 . 1 1 62 62 ALA HB2 H 1 1.34 0.05 . 1 . . . . . . . . 4898 1 775 . 1 1 62 62 ALA HB3 H 1 1.34 0.05 . 1 . . . . . . . . 4898 1 776 . 1 1 62 62 ALA C C 13 178.22 0.1 . 1 . . . . . . . . 4898 1 777 . 1 1 62 62 ALA CA C 13 52.80 0.1 . 1 . . . . . . . . 4898 1 778 . 1 1 62 62 ALA CB C 13 19.17 0.1 . 1 . . . . . . . . 4898 1 779 . 1 1 62 62 ALA N N 15 122.37 0.1 . 1 . . . . . . . . 4898 1 780 . 1 1 63 63 LYS H H 1 8.28 0.05 . 1 . . . . . . . . 4898 1 781 . 1 1 63 63 LYS HA H 1 4.20 0.05 . 1 . . . . . . . . 4898 1 782 . 1 1 63 63 LYS HB2 H 1 1.18 0.05 . 2 . . . . . . . . 4898 1 783 . 1 1 63 63 LYS HB3 H 1 1.44 0.05 . 2 . . . . . . . . 4898 1 784 . 1 1 63 63 LYS HG2 H 1 0.80 0.05 . 2 . . . . . . . . 4898 1 785 . 1 1 63 63 LYS HG3 H 1 0.88 0.05 . 2 . . . . . . . . 4898 1 786 . 1 1 63 63 LYS HD2 H 1 0.45 0.05 . 2 . . . . . . . . 4898 1 787 . 1 1 63 63 LYS HD3 H 1 0.49 0.05 . 2 . . . . . . . . 4898 1 788 . 1 1 63 63 LYS HE2 H 1 2.35 0.05 . 1 . . . . . . . . 4898 1 789 . 1 1 63 63 LYS HE3 H 1 2.35 0.05 . 1 . . . . . . . . 4898 1 790 . 1 1 63 63 LYS C C 13 174.60 0.1 . 1 . . . . . . . . 4898 1 791 . 1 1 63 63 LYS CA C 13 55.23 0.1 . 1 . . . . . . . . 4898 1 792 . 1 1 63 63 LYS CB C 13 33.80 0.1 . 1 . . . . . . . . 4898 1 793 . 1 1 63 63 LYS CG C 13 25.08 0.1 . 1 . . . . . . . . 4898 1 794 . 1 1 63 63 LYS CD C 13 28.34 0.1 . 1 . . . . . . . . 4898 1 795 . 1 1 63 63 LYS CE C 13 41.92 0.1 . 1 . . . . . . . . 4898 1 796 . 1 1 63 63 LYS N N 15 119.29 0.1 . 1 . . . . . . . . 4898 1 797 . 1 1 64 64 ASN H H 1 7.87 0.05 . 1 . . . . . . . . 4898 1 798 . 1 1 64 64 ASN HA H 1 5.64 0.05 . 1 . . . . . . . . 4898 1 799 . 1 1 64 64 ASN HB2 H 1 2.12 0.05 . 2 . . . . . . . . 4898 1 800 . 1 1 64 64 ASN HB3 H 1 2.39 0.05 . 2 . . . . . . . . 4898 1 801 . 1 1 64 64 ASN HD21 H 1 6.54 0.05 . 2 . . . . . . . . 4898 1 802 . 1 1 64 64 ASN HD22 H 1 7.17 0.05 . 2 . . . . . . . . 4898 1 803 . 1 1 64 64 ASN C C 13 174.62 0.1 . 1 . . . . . . . . 4898 1 804 . 1 1 64 64 ASN CA C 13 51.36 0.1 . 1 . . . . . . . . 4898 1 805 . 1 1 64 64 ASN CB C 13 42.70 0.1 . 1 . . . . . . . . 4898 1 806 . 1 1 64 64 ASN CG C 13 176.15 0.1 . 1 . . . . . . . . 4898 1 807 . 1 1 64 64 ASN N N 15 114.51 0.1 . 1 . . . . . . . . 4898 1 808 . 1 1 64 64 ASN ND2 N 15 112.61 0.1 . 1 . . . . . . . . 4898 1 809 . 1 1 65 65 ALA H H 1 9.29 0.05 . 1 . . . . . . . . 4898 1 810 . 1 1 65 65 ALA HA H 1 4.68 0.05 . 1 . . . . . . . . 4898 1 811 . 1 1 65 65 ALA HB1 H 1 1.29 0.05 . 1 . . . . . . . . 4898 1 812 . 1 1 65 65 ALA HB2 H 1 1.29 0.05 . 1 . . . . . . . . 4898 1 813 . 1 1 65 65 ALA HB3 H 1 1.29 0.05 . 1 . . . . . . . . 4898 1 814 . 1 1 65 65 ALA C C 13 175.92 0.1 . 1 . . . . . . . . 4898 1 815 . 1 1 65 65 ALA CA C 13 51.12 0.1 . 1 . . . . . . . . 4898 1 816 . 1 1 65 65 ALA CB C 13 23.99 0.1 . 1 . . . . . . . . 4898 1 817 . 1 1 65 65 ALA N N 15 120.91 0.1 . 1 . . . . . . . . 4898 1 818 . 1 1 66 66 LEU H H 1 8.44 0.05 . 1 . . . . . . . . 4898 1 819 . 1 1 66 66 LEU HA H 1 4.31 0.05 . 1 . . . . . . . . 4898 1 820 . 1 1 66 66 LEU HB2 H 1 1.55 0.05 . 2 . . . . . . . . 4898 1 821 . 1 1 66 66 LEU HB3 H 1 1.66 0.05 . 2 . . . . . . . . 4898 1 822 . 1 1 66 66 LEU HG H 1 1.48 0.05 . 1 . . . . . . . . 4898 1 823 . 1 1 66 66 LEU HD11 H 1 0.67 0.05 . 2 . . . . . . . . 4898 1 824 . 1 1 66 66 LEU HD12 H 1 0.67 0.05 . 2 . . . . . . . . 4898 1 825 . 1 1 66 66 LEU HD13 H 1 0.67 0.05 . 2 . . . . . . . . 4898 1 826 . 1 1 66 66 LEU HD21 H 1 0.79 0.05 . 2 . . . . . . . . 4898 1 827 . 1 1 66 66 LEU HD22 H 1 0.79 0.05 . 2 . . . . . . . . 4898 1 828 . 1 1 66 66 LEU HD23 H 1 0.79 0.05 . 2 . . . . . . . . 4898 1 829 . 1 1 66 66 LEU C C 13 176.48 0.1 . 1 . . . . . . . . 4898 1 830 . 1 1 66 66 LEU CA C 13 55.27 0.1 . 1 . . . . . . . . 4898 1 831 . 1 1 66 66 LEU CB C 13 42.14 0.1 . 1 . . . . . . . . 4898 1 832 . 1 1 66 66 LEU CG C 13 27.21 0.1 . 1 . . . . . . . . 4898 1 833 . 1 1 66 66 LEU CD1 C 13 24.00 0.1 . 2 . . . . . . . . 4898 1 834 . 1 1 66 66 LEU CD2 C 13 24.88 0.1 . 2 . . . . . . . . 4898 1 835 . 1 1 66 66 LEU N N 15 121.44 0.1 . 1 . . . . . . . . 4898 1 836 . 1 1 67 67 THR H H 1 8.34 0.05 . 1 . . . . . . . . 4898 1 837 . 1 1 67 67 THR HA H 1 4.83 0.05 . 1 . . . . . . . . 4898 1 838 . 1 1 67 67 THR HB H 1 4.61 0.05 . 1 . . . . . . . . 4898 1 839 . 1 1 67 67 THR HG21 H 1 1.03 0.05 . 1 . . . . . . . . 4898 1 840 . 1 1 67 67 THR HG22 H 1 1.03 0.05 . 1 . . . . . . . . 4898 1 841 . 1 1 67 67 THR HG23 H 1 1.03 0.05 . 1 . . . . . . . . 4898 1 842 . 1 1 67 67 THR CA C 13 59.07 0.1 . 1 . . . . . . . . 4898 1 843 . 1 1 67 67 THR CB C 13 68.86 0.1 . 1 . . . . . . . . 4898 1 844 . 1 1 67 67 THR CG2 C 13 21.99 0.1 . 1 . . . . . . . . 4898 1 845 . 1 1 67 67 THR N N 15 115.39 0.1 . 1 . . . . . . . . 4898 1 846 . 1 1 68 68 PRO HA H 1 4.35 0.05 . 1 . . . . . . . . 4898 1 847 . 1 1 68 68 PRO HB2 H 1 1.93 0.05 . 2 . . . . . . . . 4898 1 848 . 1 1 68 68 PRO HB3 H 1 2.40 0.05 . 2 . . . . . . . . 4898 1 849 . 1 1 68 68 PRO HG2 H 1 1.97 0.05 . 2 . . . . . . . . 4898 1 850 . 1 1 68 68 PRO HG3 H 1 2.13 0.05 . 2 . . . . . . . . 4898 1 851 . 1 1 68 68 PRO HD2 H 1 3.74 0.05 . 2 . . . . . . . . 4898 1 852 . 1 1 68 68 PRO HD3 H 1 3.89 0.05 . 2 . . . . . . . . 4898 1 853 . 1 1 68 68 PRO C C 13 177.45 0.1 . 1 . . . . . . . . 4898 1 854 . 1 1 68 68 PRO CA C 13 64.78 0.1 . 1 . . . . . . . . 4898 1 855 . 1 1 68 68 PRO CB C 13 32.01 0.1 . 1 . . . . . . . . 4898 1 856 . 1 1 68 68 PRO CG C 13 27.89 0.1 . 1 . . . . . . . . 4898 1 857 . 1 1 68 68 PRO CD C 13 50.72 0.1 . 1 . . . . . . . . 4898 1 858 . 1 1 69 69 SER H H 1 7.75 0.05 . 1 . . . . . . . . 4898 1 859 . 1 1 69 69 SER HA H 1 4.50 0.05 . 1 . . . . . . . . 4898 1 860 . 1 1 69 69 SER HB2 H 1 3.86 0.05 . 2 . . . . . . . . 4898 1 861 . 1 1 69 69 SER HB3 H 1 3.97 0.05 . 2 . . . . . . . . 4898 1 862 . 1 1 69 69 SER C C 13 174.11 0.1 . 1 . . . . . . . . 4898 1 863 . 1 1 69 69 SER CA C 13 58.43 0.1 . 1 . . . . . . . . 4898 1 864 . 1 1 69 69 SER CB C 13 64.11 0.1 . 1 . . . . . . . . 4898 1 865 . 1 1 69 69 SER N N 15 108.77 0.1 . 1 . . . . . . . . 4898 1 866 . 1 1 70 70 SER H H 1 7.75 0.05 . 1 . . . . . . . . 4898 1 867 . 1 1 70 70 SER HA H 1 4.67 0.05 . 1 . . . . . . . . 4898 1 868 . 1 1 70 70 SER HB2 H 1 3.93 0.05 . 2 . . . . . . . . 4898 1 869 . 1 1 70 70 SER HB3 H 1 4.00 0.05 . 2 . . . . . . . . 4898 1 870 . 1 1 70 70 SER CA C 13 57.90 0.1 . 1 . . . . . . . . 4898 1 871 . 1 1 70 70 SER CB C 13 64.77 0.1 . 1 . . . . . . . . 4898 1 872 . 1 1 70 70 SER N N 15 117.16 0.1 . 1 . . . . . . . . 4898 1 873 . 1 1 71 71 LYS H H 1 8.73 0.05 . 1 . . . . . . . . 4898 1 874 . 1 1 71 71 LYS HA H 1 4.29 0.05 . 1 . . . . . . . . 4898 1 875 . 1 1 71 71 LYS HB2 H 1 1.78 0.05 . 2 . . . . . . . . 4898 1 876 . 1 1 71 71 LYS HB3 H 1 1.97 0.05 . 2 . . . . . . . . 4898 1 877 . 1 1 71 71 LYS HG2 H 1 1.42 0.05 . 2 . . . . . . . . 4898 1 878 . 1 1 71 71 LYS HG3 H 1 1.50 0.05 . 2 . . . . . . . . 4898 1 879 . 1 1 71 71 LYS HD2 H 1 1.66 0.05 . 1 . . . . . . . . 4898 1 880 . 1 1 71 71 LYS HD3 H 1 1.66 0.05 . 1 . . . . . . . . 4898 1 881 . 1 1 71 71 LYS HE2 H 1 2.98 0.05 . 1 . . . . . . . . 4898 1 882 . 1 1 71 71 LYS HE3 H 1 2.98 0.05 . 1 . . . . . . . . 4898 1 883 . 1 1 71 71 LYS C C 13 175.80 0.1 . 1 . . . . . . . . 4898 1 884 . 1 1 71 71 LYS CA C 13 56.81 0.1 . 1 . . . . . . . . 4898 1 885 . 1 1 71 71 LYS CB C 13 32.47 0.1 . 1 . . . . . . . . 4898 1 886 . 1 1 71 71 LYS CG C 13 25.09 0.1 . 1 . . . . . . . . 4898 1 887 . 1 1 71 71 LYS CD C 13 29.04 0.1 . 1 . . . . . . . . 4898 1 888 . 1 1 71 71 LYS CE C 13 42.22 0.1 . 1 . . . . . . . . 4898 1 889 . 1 1 71 71 LYS N N 15 122.29 0.1 . 1 . . . . . . . . 4898 1 890 . 1 1 72 72 LYS H H 1 7.86 0.05 . 1 . . . . . . . . 4898 1 891 . 1 1 72 72 LYS HA H 1 4.75 0.05 . 1 . . . . . . . . 4898 1 892 . 1 1 72 72 LYS HB2 H 1 1.67 0.05 . 2 . . . . . . . . 4898 1 893 . 1 1 72 72 LYS HB3 H 1 1.80 0.05 . 2 . . . . . . . . 4898 1 894 . 1 1 72 72 LYS HG2 H 1 1.37 0.05 . 1 . . . . . . . . 4898 1 895 . 1 1 72 72 LYS HG3 H 1 1.37 0.05 . 1 . . . . . . . . 4898 1 896 . 1 1 72 72 LYS HD2 H 1 1.67 0.05 . 1 . . . . . . . . 4898 1 897 . 1 1 72 72 LYS HD3 H 1 1.67 0.05 . 1 . . . . . . . . 4898 1 898 . 1 1 72 72 LYS HE2 H 1 3.57 0.05 . 2 . . . . . . . . 4898 1 899 . 1 1 72 72 LYS HE3 H 1 3.84 0.05 . 2 . . . . . . . . 4898 1 900 . 1 1 72 72 LYS CA C 13 53.02 0.1 . 1 . . . . . . . . 4898 1 901 . 1 1 72 72 LYS CB C 13 33.34 0.1 . 1 . . . . . . . . 4898 1 902 . 1 1 72 72 LYS N N 15 118.27 0.1 . 1 . . . . . . . . 4898 1 903 . 1 1 73 73 PRO HA H 1 4.15 0.05 . 1 . . . . . . . . 4898 1 904 . 1 1 73 73 PRO HB2 H 1 1.73 0.05 . 2 . . . . . . . . 4898 1 905 . 1 1 73 73 PRO HB3 H 1 1.90 0.05 . 2 . . . . . . . . 4898 1 906 . 1 1 73 73 PRO HG2 H 1 1.83 0.05 . 2 . . . . . . . . 4898 1 907 . 1 1 73 73 PRO HG3 H 1 2.12 0.05 . 2 . . . . . . . . 4898 1 908 . 1 1 73 73 PRO HD2 H 1 3.57 0.05 . 2 . . . . . . . . 4898 1 909 . 1 1 73 73 PRO HD3 H 1 3.85 0.05 . 2 . . . . . . . . 4898 1 910 . 1 1 73 73 PRO C C 13 176.13 0.1 . 1 . . . . . . . . 4898 1 911 . 1 1 73 73 PRO CA C 13 63.38 0.1 . 1 . . . . . . . . 4898 1 912 . 1 1 73 73 PRO CB C 13 32.08 0.1 . 1 . . . . . . . . 4898 1 913 . 1 1 73 73 PRO CG C 13 28.12 0.1 . 1 . . . . . . . . 4898 1 914 . 1 1 73 73 PRO CD C 13 50.62 0.1 . 1 . . . . . . . . 4898 1 915 . 1 1 74 74 VAL H H 1 8.68 0.05 . 1 . . . . . . . . 4898 1 916 . 1 1 74 74 VAL HA H 1 4.69 0.05 . 1 . . . . . . . . 4898 1 917 . 1 1 74 74 VAL HB H 1 2.18 0.05 . 1 . . . . . . . . 4898 1 918 . 1 1 74 74 VAL HG11 H 1 0.94 0.05 . 2 . . . . . . . . 4898 1 919 . 1 1 74 74 VAL HG12 H 1 0.94 0.05 . 2 . . . . . . . . 4898 1 920 . 1 1 74 74 VAL HG13 H 1 0.94 0.05 . 2 . . . . . . . . 4898 1 921 . 1 1 74 74 VAL HG21 H 1 1.01 0.05 . 2 . . . . . . . . 4898 1 922 . 1 1 74 74 VAL HG22 H 1 1.01 0.05 . 2 . . . . . . . . 4898 1 923 . 1 1 74 74 VAL HG23 H 1 1.01 0.05 . 2 . . . . . . . . 4898 1 924 . 1 1 74 74 VAL C C 13 174.29 0.1 . 1 . . . . . . . . 4898 1 925 . 1 1 74 74 VAL CA C 13 59.17 0.1 . 1 . . . . . . . . 4898 1 926 . 1 1 74 74 VAL CB C 13 37.61 0.1 . 1 . . . . . . . . 4898 1 927 . 1 1 74 74 VAL CG1 C 13 19.32 0.1 . 2 . . . . . . . . 4898 1 928 . 1 1 74 74 VAL CG2 C 13 22.35 0.1 . 2 . . . . . . . . 4898 1 929 . 1 1 74 74 VAL N N 15 117.44 0.1 . 1 . . . . . . . . 4898 1 930 . 1 1 75 75 ARG H H 1 8.25 0.05 . 1 . . . . . . . . 4898 1 931 . 1 1 75 75 ARG HA H 1 4.34 0.05 . 1 . . . . . . . . 4898 1 932 . 1 1 75 75 ARG HB2 H 1 1.77 0.05 . 2 . . . . . . . . 4898 1 933 . 1 1 75 75 ARG HB3 H 1 2.05 0.05 . 2 . . . . . . . . 4898 1 934 . 1 1 75 75 ARG HG2 H 1 1.11 0.05 . 2 . . . . . . . . 4898 1 935 . 1 1 75 75 ARG HG3 H 1 2.21 0.05 . 2 . . . . . . . . 4898 1 936 . 1 1 75 75 ARG HD2 H 1 3.26 0.05 . 2 . . . . . . . . 4898 1 937 . 1 1 75 75 ARG HD3 H 1 3.39 0.05 . 2 . . . . . . . . 4898 1 938 . 1 1 75 75 ARG HE H 1 7.53 0.05 . 1 . . . . . . . . 4898 1 939 . 1 1 75 75 ARG C C 13 175.60 0.1 . 1 . . . . . . . . 4898 1 940 . 1 1 75 75 ARG CA C 13 57.68 0.1 . 1 . . . . . . . . 4898 1 941 . 1 1 75 75 ARG CB C 13 31.72 0.1 . 1 . . . . . . . . 4898 1 942 . 1 1 75 75 ARG CG C 13 28.41 0.1 . 1 . . . . . . . . 4898 1 943 . 1 1 75 75 ARG CD C 13 43.37 0.1 . 1 . . . . . . . . 4898 1 944 . 1 1 75 75 ARG N N 15 122.00 0.1 . 1 . . . . . . . . 4898 1 945 . 1 1 75 75 ARG NE N 15 84.05 0.1 . 1 . . . . . . . . 4898 1 946 . 1 1 76 76 VAL H H 1 7.90 0.05 . 1 . . . . . . . . 4898 1 947 . 1 1 76 76 VAL HA H 1 5.96 0.05 . 1 . . . . . . . . 4898 1 948 . 1 1 76 76 VAL HB H 1 2.29 0.05 . 1 . . . . . . . . 4898 1 949 . 1 1 76 76 VAL HG11 H 1 0.77 0.05 . 2 . . . . . . . . 4898 1 950 . 1 1 76 76 VAL HG12 H 1 0.77 0.05 . 2 . . . . . . . . 4898 1 951 . 1 1 76 76 VAL HG13 H 1 0.77 0.05 . 2 . . . . . . . . 4898 1 952 . 1 1 76 76 VAL HG21 H 1 0.92 0.05 . 2 . . . . . . . . 4898 1 953 . 1 1 76 76 VAL HG22 H 1 0.92 0.05 . 2 . . . . . . . . 4898 1 954 . 1 1 76 76 VAL HG23 H 1 0.92 0.05 . 2 . . . . . . . . 4898 1 955 . 1 1 76 76 VAL C C 13 174.96 0.1 . 1 . . . . . . . . 4898 1 956 . 1 1 76 76 VAL CA C 13 57.36 0.1 . 1 . . . . . . . . 4898 1 957 . 1 1 76 76 VAL CB C 13 37.31 0.1 . 1 . . . . . . . . 4898 1 958 . 1 1 76 76 VAL CG1 C 13 19.77 0.1 . 2 . . . . . . . . 4898 1 959 . 1 1 76 76 VAL CG2 C 13 22.39 0.1 . 2 . . . . . . . . 4898 1 960 . 1 1 76 76 VAL N N 15 117.23 0.1 . 1 . . . . . . . . 4898 1 961 . 1 1 77 77 CYS H H 1 9.23 0.05 . 1 . . . . . . . . 4898 1 962 . 1 1 77 77 CYS HA H 1 4.51 0.05 . 1 . . . . . . . . 4898 1 963 . 1 1 77 77 CYS HB2 H 1 1.30 0.05 . 2 . . . . . . . . 4898 1 964 . 1 1 77 77 CYS HB3 H 1 2.16 0.05 . 2 . . . . . . . . 4898 1 965 . 1 1 77 77 CYS C C 13 175.39 0.1 . 1 . . . . . . . . 4898 1 966 . 1 1 77 77 CYS CA C 13 56.93 0.1 . 1 . . . . . . . . 4898 1 967 . 1 1 77 77 CYS CB C 13 30.20 0.1 . 1 . . . . . . . . 4898 1 968 . 1 1 77 77 CYS N N 15 118.44 0.1 . 1 . . . . . . . . 4898 1 969 . 1 1 78 78 ASP H H 1 7.61 0.05 . 1 . . . . . . . . 4898 1 970 . 1 1 78 78 ASP HA H 1 4.07 0.05 . 1 . . . . . . . . 4898 1 971 . 1 1 78 78 ASP HB2 H 1 2.55 0.05 . 1 . . . . . . . . 4898 1 972 . 1 1 78 78 ASP HB3 H 1 2.55 0.05 . 1 . . . . . . . . 4898 1 973 . 1 1 78 78 ASP C C 13 178.18 0.1 . 1 . . . . . . . . 4898 1 974 . 1 1 78 78 ASP CA C 13 58.07 0.1 . 1 . . . . . . . . 4898 1 975 . 1 1 78 78 ASP CB C 13 39.90 0.1 . 1 . . . . . . . . 4898 1 976 . 1 1 78 78 ASP N N 15 118.39 0.1 . 1 . . . . . . . . 4898 1 977 . 1 1 79 79 ALA H H 1 8.26 0.05 . 1 . . . . . . . . 4898 1 978 . 1 1 79 79 ALA HA H 1 4.15 0.05 . 1 . . . . . . . . 4898 1 979 . 1 1 79 79 ALA HB1 H 1 1.54 0.05 . 1 . . . . . . . . 4898 1 980 . 1 1 79 79 ALA HB2 H 1 1.54 0.05 . 1 . . . . . . . . 4898 1 981 . 1 1 79 79 ALA HB3 H 1 1.54 0.05 . 1 . . . . . . . . 4898 1 982 . 1 1 79 79 ALA C C 13 180.93 0.1 . 1 . . . . . . . . 4898 1 983 . 1 1 79 79 ALA CA C 13 56.08 0.1 . 1 . . . . . . . . 4898 1 984 . 1 1 79 79 ALA CB C 13 18.70 0.1 . 1 . . . . . . . . 4898 1 985 . 1 1 79 79 ALA N N 15 123.60 0.1 . 1 . . . . . . . . 4898 1 986 . 1 1 80 80 CYS H H 1 9.01 0.05 . 1 . . . . . . . . 4898 1 987 . 1 1 80 80 CYS HA H 1 3.90 0.05 . 1 . . . . . . . . 4898 1 988 . 1 1 80 80 CYS HB2 H 1 2.49 0.05 . 2 . . . . . . . . 4898 1 989 . 1 1 80 80 CYS HB3 H 1 3.01 0.05 . 2 . . . . . . . . 4898 1 990 . 1 1 80 80 CYS C C 13 177.99 0.1 . 1 . . . . . . . . 4898 1 991 . 1 1 80 80 CYS CA C 13 65.30 0.1 . 1 . . . . . . . . 4898 1 992 . 1 1 80 80 CYS CB C 13 29.35 0.1 . 1 . . . . . . . . 4898 1 993 . 1 1 80 80 CYS N N 15 122.96 0.1 . 1 . . . . . . . . 4898 1 994 . 1 1 81 81 PHE H H 1 8.80 0.05 . 1 . . . . . . . . 4898 1 995 . 1 1 81 81 PHE HA H 1 3.62 0.05 . 1 . . . . . . . . 4898 1 996 . 1 1 81 81 PHE HB2 H 1 2.95 0.05 . 2 . . . . . . . . 4898 1 997 . 1 1 81 81 PHE HB3 H 1 3.18 0.05 . 2 . . . . . . . . 4898 1 998 . 1 1 81 81 PHE HD1 H 1 6.96 0.05 . 1 . . . . . . . . 4898 1 999 . 1 1 81 81 PHE HD2 H 1 6.96 0.05 . 1 . . . . . . . . 4898 1 1000 . 1 1 81 81 PHE HE1 H 1 7.39 0.05 . 1 . . . . . . . . 4898 1 1001 . 1 1 81 81 PHE HE2 H 1 7.39 0.05 . 1 . . . . . . . . 4898 1 1002 . 1 1 81 81 PHE HZ H 1 7.30 0.05 . 1 . . . . . . . . 4898 1 1003 . 1 1 81 81 PHE C C 13 177.65 0.1 . 1 . . . . . . . . 4898 1 1004 . 1 1 81 81 PHE CA C 13 63.09 0.1 . 1 . . . . . . . . 4898 1 1005 . 1 1 81 81 PHE CB C 13 38.60 0.1 . 1 . . . . . . . . 4898 1 1006 . 1 1 81 81 PHE CD1 C 13 132.04 0.1 . 1 . . . . . . . . 4898 1 1007 . 1 1 81 81 PHE CD2 C 13 132.04 0.1 . 1 . . . . . . . . 4898 1 1008 . 1 1 81 81 PHE CE1 C 13 131.73 0.1 . 1 . . . . . . . . 4898 1 1009 . 1 1 81 81 PHE CE2 C 13 131.73 0.1 . 1 . . . . . . . . 4898 1 1010 . 1 1 81 81 PHE CZ C 13 130.49 0.1 . 1 . . . . . . . . 4898 1 1011 . 1 1 81 81 PHE N N 15 119.25 0.1 . 1 . . . . . . . . 4898 1 1012 . 1 1 82 82 ASN HA H 1 4.32 0.05 . 1 . . . . . . . . 4898 1 1013 . 1 1 82 82 ASN HB2 H 1 2.90 0.05 . 1 . . . . . . . . 4898 1 1014 . 1 1 82 82 ASN HB3 H 1 2.90 0.05 . 1 . . . . . . . . 4898 1 1015 . 1 1 82 82 ASN HD21 H 1 6.90 0.05 . 2 . . . . . . . . 4898 1 1016 . 1 1 82 82 ASN HD22 H 1 7.68 0.05 . 2 . . . . . . . . 4898 1 1017 . 1 1 82 82 ASN C C 13 177.94 0.1 . 1 . . . . . . . . 4898 1 1018 . 1 1 82 82 ASN CA C 13 56.00 0.1 . 1 . . . . . . . . 4898 1 1019 . 1 1 82 82 ASN CB C 13 38.39 0.1 . 1 . . . . . . . . 4898 1 1020 . 1 1 82 82 ASN CG C 13 176.22 0.1 . 1 . . . . . . . . 4898 1 1021 . 1 1 82 82 ASN N N 15 116.26 0.1 . 1 . . . . . . . . 4898 1 1022 . 1 1 82 82 ASN ND2 N 15 112.96 0.1 . 1 . . . . . . . . 4898 1 1023 . 1 1 83 83 ASP H H 1 7.85 0.05 . 1 . . . . . . . . 4898 1 1024 . 1 1 83 83 ASP HA H 1 4.40 0.05 . 1 . . . . . . . . 4898 1 1025 . 1 1 83 83 ASP HB2 H 1 2.67 0.05 . 2 . . . . . . . . 4898 1 1026 . 1 1 83 83 ASP HB3 H 1 2.76 0.05 . 2 . . . . . . . . 4898 1 1027 . 1 1 83 83 ASP C C 13 177.94 0.1 . 1 . . . . . . . . 4898 1 1028 . 1 1 83 83 ASP CA C 13 56.72 0.1 . 1 . . . . . . . . 4898 1 1029 . 1 1 83 83 ASP CB C 13 41.17 0.1 . 1 . . . . . . . . 4898 1 1030 . 1 1 83 83 ASP N N 15 120.71 0.1 . 1 . . . . . . . . 4898 1 1031 . 1 1 84 84 LEU H H 1 7.80 0.05 . 1 . . . . . . . . 4898 1 1032 . 1 1 84 84 LEU HA H 1 4.13 0.05 . 1 . . . . . . . . 4898 1 1033 . 1 1 84 84 LEU HB2 H 1 1.42 0.05 . 2 . . . . . . . . 4898 1 1034 . 1 1 84 84 LEU HB3 H 1 1.52 0.05 . 2 . . . . . . . . 4898 1 1035 . 1 1 84 84 LEU HG H 1 1.72 0.05 . 1 . . . . . . . . 4898 1 1036 . 1 1 84 84 LEU HD11 H 1 0.65 0.05 . 2 . . . . . . . . 4898 1 1037 . 1 1 84 84 LEU HD12 H 1 0.65 0.05 . 2 . . . . . . . . 4898 1 1038 . 1 1 84 84 LEU HD13 H 1 0.65 0.05 . 2 . . . . . . . . 4898 1 1039 . 1 1 84 84 LEU HD21 H 1 0.85 0.05 . 2 . . . . . . . . 4898 1 1040 . 1 1 84 84 LEU HD22 H 1 0.85 0.05 . 2 . . . . . . . . 4898 1 1041 . 1 1 84 84 LEU HD23 H 1 0.85 0.05 . 2 . . . . . . . . 4898 1 1042 . 1 1 84 84 LEU C C 13 177.76 0.1 . 1 . . . . . . . . 4898 1 1043 . 1 1 84 84 LEU CA C 13 55.91 0.1 . 1 . . . . . . . . 4898 1 1044 . 1 1 84 84 LEU CB C 13 42.41 0.1 . 1 . . . . . . . . 4898 1 1045 . 1 1 84 84 LEU CG C 13 26.72 0.1 . 1 . . . . . . . . 4898 1 1046 . 1 1 84 84 LEU CD1 C 13 26.32 0.1 . 2 . . . . . . . . 4898 1 1047 . 1 1 84 84 LEU CD2 C 13 22.62 0.1 . 2 . . . . . . . . 4898 1 1048 . 1 1 84 84 LEU N N 15 118.90 0.1 . 1 . . . . . . . . 4898 1 1049 . 1 1 85 85 GLN H H 1 7.55 0.05 . 1 . . . . . . . . 4898 1 1050 . 1 1 85 85 GLN HA H 1 4.07 0.05 . 1 . . . . . . . . 4898 1 1051 . 1 1 85 85 GLN HB2 H 1 1.78 0.05 . 2 . . . . . . . . 4898 1 1052 . 1 1 85 85 GLN HB3 H 1 1.96 0.05 . 2 . . . . . . . . 4898 1 1053 . 1 1 85 85 GLN HG2 H 1 2.03 0.05 . 2 . . . . . . . . 4898 1 1054 . 1 1 85 85 GLN HG3 H 1 2.18 0.05 . 2 . . . . . . . . 4898 1 1055 . 1 1 85 85 GLN HE21 H 1 6.55 0.05 . 2 . . . . . . . . 4898 1 1056 . 1 1 85 85 GLN HE22 H 1 6.79 0.05 . 2 . . . . . . . . 4898 1 1057 . 1 1 85 85 GLN C C 13 175.79 0.1 . 1 . . . . . . . . 4898 1 1058 . 1 1 85 85 GLN CA C 13 55.77 0.1 . 1 . . . . . . . . 4898 1 1059 . 1 1 85 85 GLN CB C 13 28.99 0.1 . 1 . . . . . . . . 4898 1 1060 . 1 1 85 85 GLN CG C 13 33.45 0.1 . 1 . . . . . . . . 4898 1 1061 . 1 1 85 85 GLN CD C 13 180.44 0.1 . 1 . . . . . . . . 4898 1 1062 . 1 1 85 85 GLN N N 15 117.79 0.1 . 1 . . . . . . . . 4898 1 1063 . 1 1 85 85 GLN NE2 N 15 113.18 0.1 . 1 . . . . . . . . 4898 1 1064 . 1 1 86 86 GLY H H 1 7.61 0.05 . 1 . . . . . . . . 4898 1 1065 . 1 1 86 86 GLY HA2 H 1 3.69 0.05 . 1 . . . . . . . . 4898 1 1066 . 1 1 86 86 GLY HA3 H 1 3.69 0.05 . 1 . . . . . . . . 4898 1 1067 . 1 1 86 86 GLY CA C 13 46.32 0.1 . 1 . . . . . . . . 4898 1 1068 . 1 1 86 86 GLY N N 15 114.28 0.1 . 1 . . . . . . . . 4898 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 4898 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4898 2 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 . 2 2 1 1 PTDINS3P C1' C 13 78.48 0.1 . 1 . . . . . . . . 4898 2 2 . 2 2 1 1 PTDINS3P C2' C 13 73.71 0.1 . 1 . . . . . . . . 4898 2 3 . 2 2 1 1 PTDINS3P C3' C 13 76.47 0.1 . 1 . . . . . . . . 4898 2 4 . 2 2 1 1 PTDINS3P C4' C 13 75.15 0.1 . 1 . . . . . . . . 4898 2 5 . 2 2 1 1 PTDINS3P C5' C 13 77.43 0.1 . 1 . . . . . . . . 4898 2 6 . 2 2 1 1 PTDINS3P C6' C 13 74.03 0.1 . 1 . . . . . . . . 4898 2 7 . 2 2 1 1 PTDINS3P H1' H 1 4.10 0.05 . 1 . . . . . . . . 4898 2 8 . 2 2 1 1 PTDINS3P H2' H 1 4.43 0.05 . 1 . . . . . . . . 4898 2 9 . 2 2 1 1 PTDINS3P H3' H 1 4.21 0.05 . 1 . . . . . . . . 4898 2 10 . 2 2 1 1 PTDINS3P H4' H 1 4.02 0.05 . 1 . . . . . . . . 4898 2 11 . 2 2 1 1 PTDINS3P H5' H 1 3.26 0.05 . 1 . . . . . . . . 4898 2 12 . 2 2 1 1 PTDINS3P H6' H 1 3.80 0.05 . 1 . . . . . . . . 4898 2 13 . 2 2 1 1 PTDINS3P P2 P 31 -1.78 0.1 . 1 . . . . . . . . 4898 2 14 . 2 2 1 1 PTDINS3P P1 P 31 -2.17 0.1 . 1 . . . . . . . . 4898 2 15 . 2 2 1 1 PTDINS3P C3 C 13 66.65 0.1 . 1 . . . . . . . . 4898 2 16 . 2 2 1 1 PTDINS3P C2 C 13 73.66 0.1 . 1 . . . . . . . . 4898 2 17 . 2 2 1 1 PTDINS3P C1 C 13 65.48 0.1 . 1 . . . . . . . . 4898 2 18 . 2 2 1 1 PTDINS3P H32 H 1 4.13 0.05 . 2 . . . . . . . . 4898 2 19 . 2 2 1 1 PTDINS3P H33 H 1 4.13 0.05 . 2 . . . . . . . . 4898 2 20 . 2 2 1 1 PTDINS3P H2 H 1 5.36 0.05 . 1 . . . . . . . . 4898 2 21 . 2 2 1 1 PTDINS3P H12 H 1 4.46 0.05 . 1 . . . . . . . . 4898 2 22 . 2 2 1 1 PTDINS3P H13 H 1 4.32 0.05 . 1 . . . . . . . . 4898 2 23 . 2 2 1 1 PTDINS3P C5 C 13 38.59 0.1 . 1 . . . . . . . . 4898 2 24 . 2 2 1 1 PTDINS3P C6 C 13 20.71 0.1 . 1 . . . . . . . . 4898 2 25 . 2 2 1 1 PTDINS3P C7 C 13 15.55 0.1 . 1 . . . . . . . . 4898 2 26 . 2 2 1 1 PTDINS3P H52 H 1 2.43 0.05 . 2 . . . . . . . . 4898 2 27 . 2 2 1 1 PTDINS3P H53 H 1 2.43 0.05 . 2 . . . . . . . . 4898 2 28 . 2 2 1 1 PTDINS3P H62 H 1 1.64 0.05 . 2 . . . . . . . . 4898 2 29 . 2 2 1 1 PTDINS3P H63 H 1 1.64 0.05 . 2 . . . . . . . . 4898 2 30 . 2 2 1 1 PTDINS3P H71 H 1 0.94 0.05 . 2 . . . . . . . . 4898 2 31 . 2 2 1 1 PTDINS3P H72 H 1 0.94 0.05 . 2 . . . . . . . . 4898 2 32 . 2 2 1 1 PTDINS3P H73 H 1 0.94 0.05 . 2 . . . . . . . . 4898 2 33 . 2 2 1 1 PTDINS3P C9 C 13 38.45 0.1 . 2 . . . . . . . . 4898 2 34 . 2 2 1 1 PTDINS3P C10 C 13 20.71 0.1 . 2 . . . . . . . . 4898 2 35 . 2 2 1 1 PTDINS3P C11 C 13 15.55 0.1 . 2 . . . . . . . . 4898 2 36 . 2 2 1 1 PTDINS3P H92 H 1 2.40 0.05 . 2 . . . . . . . . 4898 2 37 . 2 2 1 1 PTDINS3P H93 H 1 2.40 0.05 . 2 . . . . . . . . 4898 2 38 . 2 2 1 1 PTDINS3P H102 H 1 1.64 0.05 . 2 . . . . . . . . 4898 2 39 . 2 2 1 1 PTDINS3P H103 H 1 1.64 0.05 . 2 . . . . . . . . 4898 2 40 . 2 2 1 1 PTDINS3P H111 H 1 0.94 0.05 . 2 . . . . . . . . 4898 2 41 . 2 2 1 1 PTDINS3P H112 H 1 0.94 0.05 . 2 . . . . . . . . 4898 2 42 . 2 2 1 1 PTDINS3P H113 H 1 0.94 0.05 . 2 . . . . . . . . 4898 2 stop_ save_