data_17552 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17552 _Entry.Title ; Backbone resonance chemical shift assignments of Ph SAM linker ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-28 _Entry.Accession_date 2011-03-28 _Entry.Last_release_date 2012-05-10 _Entry.Original_release_date 2012-05-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Udayar Ilangovan . . . 17552 2 Chongwoo Kim . . . 17552 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17552 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 203 17552 '15N chemical shifts' 98 17552 '1H chemical shifts' 98 17552 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 . . 2012-05-10 2011-03-28 original author . 17552 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17552 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22275371 _Citation.Full_citation . _Citation.Title 'The growth-suppressive function of the polycomb group protein polyhomeotic is mediated by polymerization of its sterile alpha motif (SAM) domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 12 _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 8702 _Citation.Page_last 8713 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Angela Robinson . K. . 17552 1 2 Belinda Leal . Z. . 17552 1 3 Linda Chadwell . V. . 17552 1 4 Renjing Wang . . . 17552 1 5 Udayar Ilangovan . . . 17552 1 6 Yogeet Kaur . . . 17552 1 7 Sarah Junco . E. . 17552 1 8 Virgil Schirf . . . 17552 1 9 Pawel Osmulski . A. . 17552 1 10 Maria Gaczynska . . . 17552 1 11 Andrew Hinck . P. . 17552 1 12 Borries Demeler . . . 17552 1 13 Donald McEwen . G. . 17552 1 14 Chongwoo Kim . A. . 17552 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17552 _Assembly.ID 1 _Assembly.Name 'Ph SAM linker' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ph SAM linker' 1 $Ph_SAM_Linker A . yes native no no . . . 17552 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ph_SAM_Linker _Entity.Sf_category entity _Entity.Sf_framecode Ph_SAM_Linker _Entity.Entry_ID 17552 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ph_SAM_Linker _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 ; GTRGVGSGETNGLGTGGIVG VDAMALVDRLDEAMAEEKMQ TEATPKLSESFILGASTEVP MSLPVQAAISALAAPLGSLS VALPTLAPLSVVTSGAAPKS SEVNGTDR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_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 GLY . 17552 1 2 2 THR . 17552 1 3 3 ARG . 17552 1 4 1397 GLY . 17552 1 5 1398 VAL . 17552 1 6 1399 GLY . 17552 1 7 1400 SER . 17552 1 8 1401 GLY . 17552 1 9 1402 GLU . 17552 1 10 1403 THR . 17552 1 11 1404 ASN . 17552 1 12 1405 GLY . 17552 1 13 1406 LEU . 17552 1 14 1407 GLY . 17552 1 15 1408 THR . 17552 1 16 1409 GLY . 17552 1 17 1410 GLY . 17552 1 18 1411 ILE . 17552 1 19 1412 VAL . 17552 1 20 1413 GLY . 17552 1 21 1414 VAL . 17552 1 22 1415 ASP . 17552 1 23 1416 ALA . 17552 1 24 1417 MET . 17552 1 25 1418 ALA . 17552 1 26 1419 LEU . 17552 1 27 1420 VAL . 17552 1 28 1421 ASP . 17552 1 29 1422 ARG . 17552 1 30 1423 LEU . 17552 1 31 1424 ASP . 17552 1 32 1425 GLU . 17552 1 33 1426 ALA . 17552 1 34 1427 MET . 17552 1 35 1428 ALA . 17552 1 36 1429 GLU . 17552 1 37 1430 GLU . 17552 1 38 1431 LYS . 17552 1 39 1432 MET . 17552 1 40 1433 GLN . 17552 1 41 1434 THR . 17552 1 42 1435 GLU . 17552 1 43 1436 ALA . 17552 1 44 1437 THR . 17552 1 45 1438 PRO . 17552 1 46 1439 LYS . 17552 1 47 1440 LEU . 17552 1 48 1441 SER . 17552 1 49 1442 GLU . 17552 1 50 1443 SER . 17552 1 51 1444 PHE . 17552 1 52 1446 ILE . 17552 1 53 1447 LEU . 17552 1 54 1448 GLY . 17552 1 55 1449 ALA . 17552 1 56 1450 SER . 17552 1 57 1451 THR . 17552 1 58 1452 GLU . 17552 1 59 1453 VAL . 17552 1 60 1455 PRO . 17552 1 61 1456 MET . 17552 1 62 1457 SER . 17552 1 63 1458 LEU . 17552 1 64 1459 PRO . 17552 1 65 1460 VAL . 17552 1 66 1461 GLN . 17552 1 67 1462 ALA . 17552 1 68 1463 ALA . 17552 1 69 1464 ILE . 17552 1 70 1465 SER . 17552 1 71 1466 ALA . 17552 1 72 1469 LEU . 17552 1 73 1470 ALA . 17552 1 74 1471 ALA . 17552 1 75 1473 PRO . 17552 1 76 1474 LEU . 17552 1 77 1475 GLY . 17552 1 78 1476 SER . 17552 1 79 1478 LEU . 17552 1 80 1479 SER . 17552 1 81 1480 VAL . 17552 1 82 1481 ALA . 17552 1 83 1482 LEU . 17552 1 84 1483 PRO . 17552 1 85 1484 THR . 17552 1 86 1485 LEU . 17552 1 87 1486 ALA . 17552 1 88 1487 PRO . 17552 1 89 1488 LEU . 17552 1 90 1489 SER . 17552 1 91 1490 VAL . 17552 1 92 1491 VAL . 17552 1 93 1492 THR . 17552 1 94 1493 SER . 17552 1 95 1494 GLY . 17552 1 96 1495 ALA . 17552 1 97 1496 ALA . 17552 1 98 1497 PRO . 17552 1 99 1498 LYS . 17552 1 100 1499 SER . 17552 1 101 1500 SER . 17552 1 102 1501 GLU . 17552 1 103 1502 VAL . 17552 1 104 1503 ASN . 17552 1 105 1504 GLY . 17552 1 106 1505 THR . 17552 1 107 1506 ASP . 17552 1 108 1507 ARG . 17552 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17552 1 . THR 2 2 17552 1 . ARG 3 3 17552 1 . GLY 4 4 17552 1 . VAL 5 5 17552 1 . GLY 6 6 17552 1 . SER 7 7 17552 1 . GLY 8 8 17552 1 . GLU 9 9 17552 1 . THR 10 10 17552 1 . ASN 11 11 17552 1 . GLY 12 12 17552 1 . LEU 13 13 17552 1 . GLY 14 14 17552 1 . THR 15 15 17552 1 . GLY 16 16 17552 1 . GLY 17 17 17552 1 . ILE 18 18 17552 1 . VAL 19 19 17552 1 . GLY 20 20 17552 1 . VAL 21 21 17552 1 . ASP 22 22 17552 1 . ALA 23 23 17552 1 . MET 24 24 17552 1 . ALA 25 25 17552 1 . LEU 26 26 17552 1 . VAL 27 27 17552 1 . ASP 28 28 17552 1 . ARG 29 29 17552 1 . LEU 30 30 17552 1 . ASP 31 31 17552 1 . GLU 32 32 17552 1 . ALA 33 33 17552 1 . MET 34 34 17552 1 . ALA 35 35 17552 1 . GLU 36 36 17552 1 . GLU 37 37 17552 1 . LYS 38 38 17552 1 . MET 39 39 17552 1 . GLN 40 40 17552 1 . THR 41 41 17552 1 . GLU 42 42 17552 1 . ALA 43 43 17552 1 . THR 44 44 17552 1 . PRO 45 45 17552 1 . LYS 46 46 17552 1 . LEU 47 47 17552 1 . SER 48 48 17552 1 . GLU 49 49 17552 1 . SER 50 50 17552 1 . PHE 51 51 17552 1 . ILE 52 52 17552 1 . LEU 53 53 17552 1 . GLY 54 54 17552 1 . ALA 55 55 17552 1 . SER 56 56 17552 1 . THR 57 57 17552 1 . GLU 58 58 17552 1 . VAL 59 59 17552 1 . PRO 60 60 17552 1 . MET 61 61 17552 1 . SER 62 62 17552 1 . LEU 63 63 17552 1 . PRO 64 64 17552 1 . VAL 65 65 17552 1 . GLN 66 66 17552 1 . ALA 67 67 17552 1 . ALA 68 68 17552 1 . ILE 69 69 17552 1 . SER 70 70 17552 1 . ALA 71 71 17552 1 . LEU 72 72 17552 1 . ALA 73 73 17552 1 . ALA 74 74 17552 1 . PRO 75 75 17552 1 . LEU 76 76 17552 1 . GLY 77 77 17552 1 . SER 78 78 17552 1 . LEU 79 79 17552 1 . SER 80 80 17552 1 . VAL 81 81 17552 1 . ALA 82 82 17552 1 . LEU 83 83 17552 1 . PRO 84 84 17552 1 . THR 85 85 17552 1 . LEU 86 86 17552 1 . ALA 87 87 17552 1 . PRO 88 88 17552 1 . LEU 89 89 17552 1 . SER 90 90 17552 1 . VAL 91 91 17552 1 . VAL 92 92 17552 1 . THR 93 93 17552 1 . SER 94 94 17552 1 . GLY 95 95 17552 1 . ALA 96 96 17552 1 . ALA 97 97 17552 1 . PRO 98 98 17552 1 . LYS 99 99 17552 1 . SER 100 100 17552 1 . SER 101 101 17552 1 . GLU 102 102 17552 1 . VAL 103 103 17552 1 . ASN 104 104 17552 1 . GLY 105 105 17552 1 . THR 106 106 17552 1 . ASP 107 107 17552 1 . ARG 108 108 17552 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17552 _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 $Ph_SAM_Linker . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 17552 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 17552 _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 $Ph_SAM_Linker . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-3c . . . . . . 17552 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17552 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ph SAM Linker' '[U-100% 15N]' . . 1 $Ph_SAM_Linker . . 1.5 . . mM . . . . 17552 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17552 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17552 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17552 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ph SAM Linker' '[U-100% 13C; U-100% 15N]' . . 1 $Ph_SAM_Linker . . 1.5 . . mM . . . . 17552 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17552 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17552 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17552 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 17552 1 pH 5 . pH 17552 1 pressure 1 . atm 17552 1 temperature 300 . K 17552 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17552 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17552 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17552 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17552 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17552 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17552 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17552 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17552 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral Visualization' 17552 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17552 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17552 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17552 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17552 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17552 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17552 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 17552 1 2 spectrometer_2 Bruker DRX . 600 . . . 17552 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 17552 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17552 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17552 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17552 1 4 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17552 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17552 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17552 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17552 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17552 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17552 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17552 1 2 '3D CBCA(CO)NH' . . . 17552 1 3 '3D HNCACB' . . . 17552 1 4 '3D CBCANH' . . . 17552 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 43.130 . . 1 . . . . 1 GLY CA . 17552 1 2 . 1 1 2 2 THR H H 1 8.408 . . 1 . . . . 2 THR H . 17552 1 3 . 1 1 2 2 THR CA C 13 61.784 . . 1 . . . . 2 THR CA . 17552 1 4 . 1 1 2 2 THR CB C 13 69.678 . . 1 . . . . 2 THR CB . 17552 1 5 . 1 1 2 2 THR N N 15 114.165 . . 1 . . . . 2 THR N . 17552 1 6 . 1 1 3 3 ARG H H 1 8.358 . . 1 . . . . 3 ARG H . 17552 1 7 . 1 1 3 3 ARG CA C 13 56.133 . . 1 . . . . 3 ARG CA . 17552 1 8 . 1 1 3 3 ARG CB C 13 30.496 . . 1 . . . . 3 ARG CB . 17552 1 9 . 1 1 3 3 ARG N N 15 123.733 . . 1 . . . . 3 ARG N . 17552 1 10 . 1 1 4 4 GLY H H 1 8.283 . . 1 . . . . 1397 GLY H . 17552 1 11 . 1 1 4 4 GLY CA C 13 44.899 . . 1 . . . . 1397 GLY CA . 17552 1 12 . 1 1 4 4 GLY N N 15 110.561 . . 1 . . . . 1397 GLY N . 17552 1 13 . 1 1 5 5 VAL H H 1 7.839 . . 1 . . . . 1398 VAL H . 17552 1 14 . 1 1 5 5 VAL CA C 13 62.378 . . 1 . . . . 1398 VAL CA . 17552 1 15 . 1 1 5 5 VAL CB C 13 32.428 . . 1 . . . . 1398 VAL CB . 17552 1 16 . 1 1 5 5 VAL N N 15 119.052 . . 1 . . . . 1398 VAL N . 17552 1 17 . 1 1 6 6 GLY H H 1 8.309 . . 1 . . . . 1399 GLY H . 17552 1 18 . 1 1 6 6 GLY CA C 13 44.959 . . 1 . . . . 1399 GLY CA . 17552 1 19 . 1 1 6 6 GLY N N 15 112.922 . . 1 . . . . 1399 GLY N . 17552 1 20 . 1 1 7 7 SER H H 1 8.128 . . 1 . . . . 1400 SER H . 17552 1 21 . 1 1 7 7 SER CA C 13 58.171 . . 1 . . . . 1400 SER CA . 17552 1 22 . 1 1 7 7 SER CB C 13 63.636 . . 1 . . . . 1400 SER CB . 17552 1 23 . 1 1 7 7 SER N N 15 115.684 . . 1 . . . . 1400 SER N . 17552 1 24 . 1 1 8 8 GLY H H 1 8.243 . . 1 . . . . 1401 GLY H . 17552 1 25 . 1 1 8 8 GLY CA C 13 45.073 . . 1 . . . . 1401 GLY CA . 17552 1 26 . 1 1 8 8 GLY N N 15 111.021 . . 1 . . . . 1401 GLY N . 17552 1 27 . 1 1 9 9 GLU H H 1 8.096 . . 1 . . . . 1402 GLU H . 17552 1 28 . 1 1 9 9 GLU CA C 13 56.339 . . 1 . . . . 1402 GLU CA . 17552 1 29 . 1 1 9 9 GLU CB C 13 29.834 . . 1 . . . . 1402 GLU CB . 17552 1 30 . 1 1 9 9 GLU N N 15 120.281 . . 1 . . . . 1402 GLU N . 17552 1 31 . 1 1 10 10 THR H H 1 8.084 . . 1 . . . . 1403 THR H . 17552 1 32 . 1 1 10 10 THR CA C 13 61.682 . . 1 . . . . 1403 THR CA . 17552 1 33 . 1 1 10 10 THR CB C 13 69.530 . . 1 . . . . 1403 THR CB . 17552 1 34 . 1 1 10 10 THR N N 15 114.443 . . 1 . . . . 1403 THR N . 17552 1 35 . 1 1 11 11 ASN H H 1 8.295 . . 1 . . . . 1404 ASN H . 17552 1 36 . 1 1 11 11 ASN CA C 13 53.202 . . 1 . . . . 1404 ASN CA . 17552 1 37 . 1 1 11 11 ASN CB C 13 38.567 . . 1 . . . . 1404 ASN CB . 17552 1 38 . 1 1 11 11 ASN N N 15 120.719 . . 1 . . . . 1404 ASN N . 17552 1 39 . 1 1 12 12 GLY H H 1 8.203 . . 1 . . . . 1405 GLY H . 17552 1 40 . 1 1 12 12 GLY CA C 13 45.448 . . 1 . . . . 1405 GLY CA . 17552 1 41 . 1 1 12 12 GLY N N 15 108.919 . . 1 . . . . 1405 GLY N . 17552 1 42 . 1 1 13 13 LEU H H 1 7.963 . . 1 . . . . 1406 LEU H . 17552 1 43 . 1 1 13 13 LEU CA C 13 55.060 . . 1 . . . . 1406 LEU CA . 17552 1 44 . 1 1 13 13 LEU CB C 13 42.096 . . 1 . . . . 1406 LEU CB . 17552 1 45 . 1 1 13 13 LEU N N 15 121.224 . . 1 . . . . 1406 LEU N . 17552 1 46 . 1 1 14 14 GLY H H 1 8.299 . . 1 . . . . 1407 GLY H . 17552 1 47 . 1 1 14 14 GLY CA C 13 45.387 . . 1 . . . . 1407 GLY CA . 17552 1 48 . 1 1 14 14 GLY N N 15 109.384 . . 1 . . . . 1407 GLY N . 17552 1 49 . 1 1 15 15 THR H H 1 7.921 . . 1 . . . . 1408 THR H . 17552 1 50 . 1 1 15 15 THR CA C 13 61.737 . . 1 . . . . 1408 THR CA . 17552 1 51 . 1 1 15 15 THR CB C 13 69.512 . . 1 . . . . 1408 THR CB . 17552 1 52 . 1 1 15 15 THR N N 15 112.600 . . 1 . . . . 1408 THR N . 17552 1 53 . 1 1 16 16 GLY H H 1 8.355 . . 1 . . . . 1409 GLY H . 17552 1 54 . 1 1 16 16 GLY CA C 13 45.227 . . 1 . . . . 1409 GLY CA . 17552 1 55 . 1 1 16 16 GLY N N 15 111.091 . . 1 . . . . 1409 GLY N . 17552 1 56 . 1 1 17 17 GLY H H 1 8.054 . . 1 . . . . 1410 GLY H . 17552 1 57 . 1 1 17 17 GLY CA C 13 44.911 . . 1 . . . . 1410 GLY CA . 17552 1 58 . 1 1 17 17 GLY N N 15 108.476 . . 1 . . . . 1410 GLY N . 17552 1 59 . 1 1 18 18 ILE H H 1 7.884 . . 1 . . . . 1411 ILE H . 17552 1 60 . 1 1 18 18 ILE CA C 13 60.825 . . 1 . . . . 1411 ILE CA . 17552 1 61 . 1 1 18 18 ILE CB C 13 38.402 . . 1 . . . . 1411 ILE CB . 17552 1 62 . 1 1 18 18 ILE N N 15 120.385 . . 1 . . . . 1411 ILE N . 17552 1 63 . 1 1 19 19 VAL H H 1 8.108 . . 1 . . . . 1412 VAL H . 17552 1 64 . 1 1 19 19 VAL CA C 13 62.375 . . 1 . . . . 1412 VAL CA . 17552 1 65 . 1 1 19 19 VAL CB C 13 32.369 . . 1 . . . . 1412 VAL CB . 17552 1 66 . 1 1 19 19 VAL N N 15 125.164 . . 1 . . . . 1412 VAL N . 17552 1 67 . 1 1 20 20 GLY H H 1 8.427 . . 1 . . . . 1413 GLY H . 17552 1 68 . 1 1 20 20 GLY CA C 13 44.896 . . 1 . . . . 1413 GLY CA . 17552 1 69 . 1 1 20 20 GLY N N 15 112.814 . . 1 . . . . 1413 GLY N . 17552 1 70 . 1 1 21 21 VAL H H 1 7.952 . . 1 . . . . 1414 VAL H . 17552 1 71 . 1 1 21 21 VAL CA C 13 62.361 . . 1 . . . . 1414 VAL CA . 17552 1 72 . 1 1 21 21 VAL CB C 13 32.408 . . 1 . . . . 1414 VAL CB . 17552 1 73 . 1 1 21 21 VAL N N 15 119.275 . . 1 . . . . 1414 VAL N . 17552 1 74 . 1 1 22 22 ASP H H 1 8.240 . . 1 . . . . 1415 ASP H . 17552 1 75 . 1 1 22 22 ASP CA C 13 54.088 . . 1 . . . . 1415 ASP CA . 17552 1 76 . 1 1 22 22 ASP CB C 13 40.673 . . 1 . . . . 1415 ASP CB . 17552 1 77 . 1 1 22 22 ASP N N 15 123.161 . . 1 . . . . 1415 ASP N . 17552 1 78 . 1 1 23 23 ALA H H 1 8.052 . . 1 . . . . 1416 ALA H . 17552 1 79 . 1 1 23 23 ALA CA C 13 52.998 . . 1 . . . . 1416 ALA CA . 17552 1 80 . 1 1 23 23 ALA CB C 13 18.774 . . 1 . . . . 1416 ALA CB . 17552 1 81 . 1 1 23 23 ALA N N 15 124.638 . . 1 . . . . 1416 ALA N . 17552 1 82 . 1 1 24 24 MET H H 1 8.036 . . 1 . . . . 1417 MET H . 17552 1 83 . 1 1 24 24 MET CA C 13 55.495 . . 1 . . . . 1417 MET CA . 17552 1 84 . 1 1 24 24 MET CB C 13 32.089 . . 1 . . . . 1417 MET CB . 17552 1 85 . 1 1 24 24 MET N N 15 117.897 . . 1 . . . . 1417 MET N . 17552 1 86 . 1 1 25 25 ALA H H 1 7.831 . . 1 . . . . 1418 ALA H . 17552 1 87 . 1 1 25 25 ALA CA C 13 52.406 . . 1 . . . . 1418 ALA CA . 17552 1 88 . 1 1 25 25 ALA CB C 13 18.715 . . 1 . . . . 1418 ALA CB . 17552 1 89 . 1 1 25 25 ALA N N 15 123.942 . . 1 . . . . 1418 ALA N . 17552 1 90 . 1 1 26 26 LEU H H 1 7.867 . . 1 . . . . 1419 LEU H . 17552 1 91 . 1 1 26 26 LEU CA C 13 55.269 . . 1 . . . . 1419 LEU CA . 17552 1 92 . 1 1 26 26 LEU CB C 13 41.794 . . 1 . . . . 1419 LEU CB . 17552 1 93 . 1 1 26 26 LEU N N 15 120.668 . . 1 . . . . 1419 LEU N . 17552 1 94 . 1 1 27 27 VAL H H 1 7.710 . . 1 . . . . 1420 VAL H . 17552 1 95 . 1 1 27 27 VAL CA C 13 62.442 . . 1 . . . . 1420 VAL CA . 17552 1 96 . 1 1 27 27 VAL CB C 13 32.477 . . 1 . . . . 1420 VAL CB . 17552 1 97 . 1 1 27 27 VAL N N 15 119.789 . . 1 . . . . 1420 VAL N . 17552 1 98 . 1 1 28 28 ASP H H 1 8.115 . . 1 . . . . 1421 ASP H . 17552 1 99 . 1 1 28 28 ASP CA C 13 54.196 . . 1 . . . . 1421 ASP CA . 17552 1 100 . 1 1 28 28 ASP CB C 13 40.582 . . 1 . . . . 1421 ASP CB . 17552 1 101 . 1 1 28 28 ASP N N 15 123.063 . . 1 . . . . 1421 ASP N . 17552 1 102 . 1 1 29 29 ARG H H 1 7.993 . . 1 . . . . 1422 ARG H . 17552 1 103 . 1 1 29 29 ARG CA C 13 56.142 . . 1 . . . . 1422 ARG CA . 17552 1 104 . 1 1 29 29 ARG CB C 13 30.348 . . 1 . . . . 1422 ARG CB . 17552 1 105 . 1 1 29 29 ARG N N 15 121.148 . . 1 . . . . 1422 ARG N . 17552 1 106 . 1 1 30 30 LEU H H 1 8.123 . . 1 . . . . 1423 LEU H . 17552 1 107 . 1 1 30 30 LEU CA C 13 55.738 . . 1 . . . . 1423 LEU CA . 17552 1 108 . 1 1 30 30 LEU CB C 13 41.751 . . 1 . . . . 1423 LEU CB . 17552 1 109 . 1 1 30 30 LEU N N 15 122.945 . . 1 . . . . 1423 LEU N . 17552 1 110 . 1 1 31 31 ASP H H 1 8.118 . . 1 . . . . 1424 ASP H . 17552 1 111 . 1 1 31 31 ASP CA C 13 54.397 . . 1 . . . . 1424 ASP CA . 17552 1 112 . 1 1 31 31 ASP CB C 13 40.352 . . 1 . . . . 1424 ASP CB . 17552 1 113 . 1 1 31 31 ASP N N 15 120.424 . . 1 . . . . 1424 ASP N . 17552 1 114 . 1 1 32 32 GLU H H 1 8.081 . . 1 . . . . 1425 GLU H . 17552 1 115 . 1 1 32 32 GLU CA C 13 57.088 . . 1 . . . . 1425 GLU CA . 17552 1 116 . 1 1 32 32 GLU CB C 13 29.318 . . 1 . . . . 1425 GLU CB . 17552 1 117 . 1 1 32 32 GLU N N 15 121.379 . . 1 . . . . 1425 GLU N . 17552 1 118 . 1 1 33 33 ALA H H 1 8.029 . . 1 . . . . 1426 ALA H . 17552 1 119 . 1 1 33 33 ALA CA C 13 53.086 . . 1 . . . . 1426 ALA CA . 17552 1 120 . 1 1 33 33 ALA CB C 13 18.430 . . 1 . . . . 1426 ALA CB . 17552 1 121 . 1 1 33 33 ALA N N 15 123.586 . . 1 . . . . 1426 ALA N . 17552 1 122 . 1 1 34 34 MET H H 1 7.982 . . 1 . . . . 1427 MET H . 17552 1 123 . 1 1 34 34 MET CA C 13 55.833 . . 1 . . . . 1427 MET CA . 17552 1 124 . 1 1 34 34 MET CB C 13 32.430 . . 1 . . . . 1427 MET CB . 17552 1 125 . 1 1 34 34 MET N N 15 118.559 . . 1 . . . . 1427 MET N . 17552 1 126 . 1 1 35 35 ALA H H 1 7.944 . . 1 . . . . 1428 ALA H . 17552 1 127 . 1 1 35 35 ALA CA C 13 52.811 . . 1 . . . . 1428 ALA CA . 17552 1 128 . 1 1 35 35 ALA CB C 13 18.631 . . 1 . . . . 1428 ALA CB . 17552 1 129 . 1 1 35 35 ALA N N 15 124.279 . . 1 . . . . 1428 ALA N . 17552 1 130 . 1 1 36 36 GLU H H 1 8.074 . . 1 . . . . 1429 GLU H . 17552 1 131 . 1 1 36 36 GLU CA C 13 56.907 . . 1 . . . . 1429 GLU CA . 17552 1 132 . 1 1 36 36 GLU CB C 13 29.510 . . 1 . . . . 1429 GLU CB . 17552 1 133 . 1 1 36 36 GLU N N 15 119.319 . . 1 . . . . 1429 GLU N . 17552 1 134 . 1 1 37 37 GLU H H 1 8.101 . . 1 . . . . 1430 GLU H . 17552 1 135 . 1 1 37 37 GLU CA C 13 56.882 . . 1 . . . . 1430 GLU CA . 17552 1 136 . 1 1 37 37 GLU CB C 13 29.276 . . 1 . . . . 1430 GLU CB . 17552 1 137 . 1 1 37 37 GLU N N 15 121.311 . . 1 . . . . 1430 GLU N . 17552 1 138 . 1 1 38 38 LYS H H 1 8.013 . . 1 . . . . 1431 LYS H . 17552 1 139 . 1 1 38 38 LYS CA C 13 56.389 . . 1 . . . . 1431 LYS CA . 17552 1 140 . 1 1 38 38 LYS CB C 13 32.609 . . 1 . . . . 1431 LYS CB . 17552 1 141 . 1 1 38 38 LYS N N 15 121.405 . . 1 . . . . 1431 LYS N . 17552 1 142 . 1 1 39 39 MET H H 1 8.031 . . 1 . . . . 1432 MET H . 17552 1 143 . 1 1 39 39 MET CA C 13 55.681 . . 1 . . . . 1432 MET CA . 17552 1 144 . 1 1 39 39 MET CB C 13 32.425 . . 1 . . . . 1432 MET CB . 17552 1 145 . 1 1 39 39 MET N N 15 120.507 . . 1 . . . . 1432 MET N . 17552 1 146 . 1 1 40 40 GLN H H 1 8.161 . . 1 . . . . 1433 GLN H . 17552 1 147 . 1 1 40 40 GLN CA C 13 55.821 . . 1 . . . . 1433 GLN CA . 17552 1 148 . 1 1 40 40 GLN CB C 13 28.994 . . 1 . . . . 1433 GLN CB . 17552 1 149 . 1 1 40 40 GLN N N 15 121.140 . . 1 . . . . 1433 GLN N . 17552 1 150 . 1 1 41 41 THR H H 1 7.997 . . 1 . . . . 1434 THR H . 17552 1 151 . 1 1 41 41 THR CA C 13 61.899 . . 1 . . . . 1434 THR CA . 17552 1 152 . 1 1 41 41 THR CB C 13 69.671 . . 1 . . . . 1434 THR CB . 17552 1 153 . 1 1 41 41 THR N N 15 115.230 . . 1 . . . . 1434 THR N . 17552 1 154 . 1 1 42 42 GLU H H 1 8.130 . . 1 . . . . 1435 GLU H . 17552 1 155 . 1 1 42 42 GLU CA C 13 56.223 . . 1 . . . . 1435 GLU CA . 17552 1 156 . 1 1 42 42 GLU CB C 13 29.820 . . 1 . . . . 1435 GLU CB . 17552 1 157 . 1 1 42 42 GLU N N 15 125.073 . . 1 . . . . 1435 GLU N . 17552 1 158 . 1 1 43 43 ALA H H 1 8.130 . . 1 . . . . 1436 ALA H . 17552 1 159 . 1 1 43 43 ALA CA C 13 52.232 . . 1 . . . . 1436 ALA CA . 17552 1 160 . 1 1 43 43 ALA CB C 13 18.960 . . 1 . . . . 1436 ALA CB . 17552 1 161 . 1 1 43 43 ALA N N 15 125.100 . . 1 . . . . 1436 ALA N . 17552 1 162 . 1 1 44 44 THR H H 1 7.941 . . 1 . . . . 1437 THR H . 17552 1 163 . 1 1 44 44 THR CA C 13 59.725 . . 1 . . . . 1437 THR CA . 17552 1 164 . 1 1 44 44 THR CB C 13 69.512 . . 1 . . . . 1437 THR CB . 17552 1 165 . 1 1 44 44 THR N N 15 116.195 . . 1 . . . . 1437 THR N . 17552 1 166 . 1 1 45 45 PRO CA C 13 63.043 . . 1 . . . . 1438 PRO CA . 17552 1 167 . 1 1 45 45 PRO CB C 13 31.744 . . 1 . . . . 1438 PRO CB . 17552 1 168 . 1 1 46 46 LYS H H 1 8.261 . . 1 . . . . 1439 LYS H . 17552 1 169 . 1 1 46 46 LYS CA C 13 55.918 . . 1 . . . . 1439 LYS CA . 17552 1 170 . 1 1 46 46 LYS CB C 13 32.741 . . 1 . . . . 1439 LYS CB . 17552 1 171 . 1 1 46 46 LYS N N 15 122.124 . . 1 . . . . 1439 LYS N . 17552 1 172 . 1 1 47 47 LEU H H 1 8.183 . . 1 . . . . 1440 LEU H . 17552 1 173 . 1 1 47 47 LEU CA C 13 55.013 . . 1 . . . . 1440 LEU CA . 17552 1 174 . 1 1 47 47 LEU CB C 13 42.051 . . 1 . . . . 1440 LEU CB . 17552 1 175 . 1 1 47 47 LEU N N 15 124.248 . . 1 . . . . 1440 LEU N . 17552 1 176 . 1 1 48 48 SER H H 1 8.121 . . 1 . . . . 1441 SER H . 17552 1 177 . 1 1 48 48 SER CA C 13 58.255 . . 1 . . . . 1441 SER CA . 17552 1 178 . 1 1 48 48 SER CB C 13 63.591 . . 1 . . . . 1441 SER CB . 17552 1 179 . 1 1 48 48 SER N N 15 116.323 . . 1 . . . . 1441 SER N . 17552 1 180 . 1 1 49 49 GLU H H 1 8.171 . . 1 . . . . 1442 GLU H . 17552 1 181 . 1 1 49 49 GLU CA C 13 55.723 . . 1 . . . . 1442 GLU CA . 17552 1 182 . 1 1 49 49 GLU CB C 13 31.719 . . 1 . . . . 1442 GLU CB . 17552 1 183 . 1 1 49 49 GLU N N 15 122.479 . . 1 . . . . 1442 GLU N . 17552 1 184 . 1 1 50 50 SER H H 1 8.111 . . 1 . . . . 1443 SER H . 17552 1 185 . 1 1 50 50 SER CA C 13 57.845 . . 1 . . . . 1443 SER CA . 17552 1 186 . 1 1 50 50 SER CB C 13 63.621 . . 1 . . . . 1443 SER CB . 17552 1 187 . 1 1 50 50 SER N N 15 117.235 . . 1 . . . . 1443 SER N . 17552 1 188 . 1 1 51 51 PHE H H 1 7.979 . . 1 . . . . 1444 PHE H . 17552 1 189 . 1 1 51 51 PHE CA C 13 55.470 . . 1 . . . . 1444 PHE CA . 17552 1 190 . 1 1 51 51 PHE CB C 13 38.774 . . 1 . . . . 1444 PHE CB . 17552 1 191 . 1 1 51 51 PHE N N 15 122.676 . . 1 . . . . 1444 PHE N . 17552 1 192 . 1 1 52 52 ILE H H 1 8.213 . . 1 . . . . 1446 ILE H . 17552 1 193 . 1 1 52 52 ILE CA C 13 60.917 . . 1 . . . . 1446 ILE CA . 17552 1 194 . 1 1 52 52 ILE CB C 13 38.225 . . 1 . . . . 1446 ILE CB . 17552 1 195 . 1 1 52 52 ILE N N 15 126.996 . . 1 . . . . 1446 ILE N . 17552 1 196 . 1 1 53 53 LEU H H 1 8.213 . . 1 . . . . 1447 LEU H . 17552 1 197 . 1 1 53 53 LEU CA C 13 54.933 . . 1 . . . . 1447 LEU CA . 17552 1 198 . 1 1 53 53 LEU CB C 13 42.060 . . 1 . . . . 1447 LEU CB . 17552 1 199 . 1 1 53 53 LEU N N 15 126.995 . . 1 . . . . 1447 LEU N . 17552 1 200 . 1 1 54 54 GLY H H 1 8.237 . . 1 . . . . 1448 GLY H . 17552 1 201 . 1 1 54 54 GLY CA C 13 44.908 . . 1 . . . . 1448 GLY CA . 17552 1 202 . 1 1 54 54 GLY N N 15 110.182 . . 1 . . . . 1448 GLY N . 17552 1 203 . 1 1 55 55 ALA H H 1 7.964 . . 1 . . . . 1449 ALA H . 17552 1 204 . 1 1 55 55 ALA CA C 13 52.132 . . 1 . . . . 1449 ALA CA . 17552 1 205 . 1 1 55 55 ALA CB C 13 19.184 . . 1 . . . . 1449 ALA CB . 17552 1 206 . 1 1 55 55 ALA N N 15 123.451 . . 1 . . . . 1449 ALA N . 17552 1 207 . 1 1 56 56 SER H H 1 8.226 . . 1 . . . . 1450 SER H . 17552 1 208 . 1 1 56 56 SER CA C 13 58.064 . . 1 . . . . 1450 SER CA . 17552 1 209 . 1 1 56 56 SER CB C 13 63.536 . . 1 . . . . 1450 SER CB . 17552 1 210 . 1 1 56 56 SER N N 15 115.161 . . 1 . . . . 1450 SER N . 17552 1 211 . 1 1 57 57 THR H H 1 8.005 . . 1 . . . . 1451 THR H . 17552 1 212 . 1 1 57 57 THR CA C 13 61.627 . . 1 . . . . 1451 THR CA . 17552 1 213 . 1 1 57 57 THR CB C 13 69.418 . . 1 . . . . 1451 THR CB . 17552 1 214 . 1 1 57 57 THR N N 15 115.537 . . 1 . . . . 1451 THR N . 17552 1 215 . 1 1 58 58 GLU H H 1 8.135 . . 1 . . . . 1452 GLU H . 17552 1 216 . 1 1 58 58 GLU CA C 13 56.125 . . 1 . . . . 1452 GLU CA . 17552 1 217 . 1 1 58 58 GLU CB C 13 29.824 . . 1 . . . . 1452 GLU CB . 17552 1 218 . 1 1 58 58 GLU N N 15 123.271 . . 1 . . . . 1452 GLU N . 17552 1 219 . 1 1 59 59 VAL H H 1 8.073 . . 1 . . . . 1453 VAL H . 17552 1 220 . 1 1 59 59 VAL CA C 13 59.672 . . 1 . . . . 1453 VAL CA . 17552 1 221 . 1 1 59 59 VAL CB C 13 32.250 . . 1 . . . . 1453 VAL CB . 17552 1 222 . 1 1 59 59 VAL N N 15 123.609 . . 1 . . . . 1453 VAL N . 17552 1 223 . 1 1 60 60 PRO CA C 13 62.749 . . 1 . . . . 1455 PRO CA . 17552 1 224 . 1 1 60 60 PRO CB C 13 31.611 . . 1 . . . . 1455 PRO CB . 17552 1 225 . 1 1 61 61 MET H H 1 8.235 . . 1 . . . . 1456 MET H . 17552 1 226 . 1 1 61 61 MET CA C 13 55.883 . . 1 . . . . 1456 MET CA . 17552 1 227 . 1 1 61 61 MET CB C 13 32.800 . . 1 . . . . 1456 MET CB . 17552 1 228 . 1 1 61 61 MET N N 15 120.108 . . 1 . . . . 1456 MET N . 17552 1 229 . 1 1 62 62 SER H H 1 8.253 . . 1 . . . . 1457 SER H . 17552 1 230 . 1 1 62 62 SER CA C 13 58.008 . . 1 . . . . 1457 SER CA . 17552 1 231 . 1 1 62 62 SER CB C 13 63.599 . . 1 . . . . 1457 SER CB . 17552 1 232 . 1 1 62 62 SER N N 15 117.344 . . 1 . . . . 1457 SER N . 17552 1 233 . 1 1 63 63 LEU H H 1 8.067 . . 1 . . . . 1458 LEU H . 17552 1 234 . 1 1 63 63 LEU CA C 13 52.832 . . 1 . . . . 1458 LEU CA . 17552 1 235 . 1 1 63 63 LEU CB C 13 41.535 . . 1 . . . . 1458 LEU CB . 17552 1 236 . 1 1 63 63 LEU N N 15 125.264 . . 1 . . . . 1458 LEU N . 17552 1 237 . 1 1 64 64 PRO CA C 13 62.840 . . 1 . . . . 1459 PRO CA . 17552 1 238 . 1 1 64 64 PRO CB C 13 31.665 . . 1 . . . . 1459 PRO CB . 17552 1 239 . 1 1 65 65 VAL H H 1 8.035 . . 1 . . . . 1460 VAL H . 17552 1 240 . 1 1 65 65 VAL CA C 13 62.301 . . 1 . . . . 1460 VAL CA . 17552 1 241 . 1 1 65 65 VAL CB C 13 32.288 . . 1 . . . . 1460 VAL CB . 17552 1 242 . 1 1 65 65 VAL N N 15 120.723 . . 1 . . . . 1460 VAL N . 17552 1 243 . 1 1 66 66 GLN H H 1 8.273 . . 1 . . . . 1461 GLN H . 17552 1 244 . 1 1 66 66 GLN CA C 13 55.410 . . 1 . . . . 1461 GLN CA . 17552 1 245 . 1 1 66 66 GLN CB C 13 29.347 . . 1 . . . . 1461 GLN CB . 17552 1 246 . 1 1 66 66 GLN N N 15 124.462 . . 1 . . . . 1461 GLN N . 17552 1 247 . 1 1 67 67 ALA H H 1 8.173 . . 1 . . . . 1462 ALA H . 17552 1 248 . 1 1 67 67 ALA CA C 13 52.196 . . 1 . . . . 1462 ALA CA . 17552 1 249 . 1 1 67 67 ALA CB C 13 19.010 . . 1 . . . . 1462 ALA CB . 17552 1 250 . 1 1 67 67 ALA N N 15 126.002 . . 1 . . . . 1462 ALA N . 17552 1 251 . 1 1 68 68 ALA H H 1 8.102 . . 1 . . . . 1463 ALA H . 17552 1 252 . 1 1 68 68 ALA CA C 13 52.066 . . 1 . . . . 1463 ALA CA . 17552 1 253 . 1 1 68 68 ALA CB C 13 18.878 . . 1 . . . . 1463 ALA CB . 17552 1 254 . 1 1 68 68 ALA N N 15 123.484 . . 1 . . . . 1463 ALA N . 17552 1 255 . 1 1 69 69 ILE H H 1 7.944 . . 1 . . . . 1464 ILE H . 17552 1 256 . 1 1 69 69 ILE CA C 13 60.814 . . 1 . . . . 1464 ILE CA . 17552 1 257 . 1 1 69 69 ILE CB C 13 38.660 . . 1 . . . . 1464 ILE CB . 17552 1 258 . 1 1 69 69 ILE N N 15 120.156 . . 1 . . . . 1464 ILE N . 17552 1 259 . 1 1 70 70 SER H H 1 8.148 . . 1 . . . . 1465 SER H . 17552 1 260 . 1 1 70 70 SER CA C 13 57.762 . . 1 . . . . 1465 SER CA . 17552 1 261 . 1 1 70 70 SER CB C 13 63.621 . . 1 . . . . 1465 SER CB . 17552 1 262 . 1 1 70 70 SER N N 15 120.119 . . 1 . . . . 1465 SER N . 17552 1 263 . 1 1 71 71 ALA H H 1 8.118 . . 1 . . . . 1466 ALA H . 17552 1 264 . 1 1 71 71 ALA CA C 13 50.178 . . 1 . . . . 1466 ALA CA . 17552 1 265 . 1 1 71 71 ALA CB C 13 17.853 . . 1 . . . . 1466 ALA CB . 17552 1 266 . 1 1 71 71 ALA N N 15 127.311 . . 1 . . . . 1466 ALA N . 17552 1 267 . 1 1 72 72 LEU CA C 13 54.545 . . 1 . . . . 1469 LEU CA . 17552 1 268 . 1 1 72 72 LEU CB C 13 41.999 . . 1 . . . . 1469 LEU CB . 17552 1 269 . 1 1 73 73 ALA H H 1 7.957 . . 1 . . . . 1470 ALA H . 17552 1 270 . 1 1 73 73 ALA CA C 13 51.843 . . 1 . . . . 1470 ALA CA . 17552 1 271 . 1 1 73 73 ALA CB C 13 18.875 . . 1 . . . . 1470 ALA CB . 17552 1 272 . 1 1 73 73 ALA N N 15 124.650 . . 1 . . . . 1470 ALA N . 17552 1 273 . 1 1 74 74 ALA H H 1 7.956 . . 1 . . . . 1471 ALA H . 17552 1 274 . 1 1 74 74 ALA CA C 13 51.843 . . 1 . . . . 1471 ALA CA . 17552 1 275 . 1 1 74 74 ALA CB C 13 18.875 . . 1 . . . . 1471 ALA CB . 17552 1 276 . 1 1 74 74 ALA N N 15 124.640 . . 1 . . . . 1471 ALA N . 17552 1 277 . 1 1 75 75 PRO CA C 13 62.695 . . 1 . . . . 1473 PRO CA . 17552 1 278 . 1 1 75 75 PRO CB C 13 31.737 . . 1 . . . . 1473 PRO CB . 17552 1 279 . 1 1 76 76 LEU H H 1 8.168 . . 1 . . . . 1474 LEU H . 17552 1 280 . 1 1 76 76 LEU CA C 13 55.145 . . 1 . . . . 1474 LEU CA . 17552 1 281 . 1 1 76 76 LEU CB C 13 42.041 . . 1 . . . . 1474 LEU CB . 17552 1 282 . 1 1 76 76 LEU N N 15 122.026 . . 1 . . . . 1474 LEU N . 17552 1 283 . 1 1 77 77 GLY H H 1 8.251 . . 1 . . . . 1475 GLY H . 17552 1 284 . 1 1 77 77 GLY CA C 13 44.791 . . 1 . . . . 1475 GLY CA . 17552 1 285 . 1 1 77 77 GLY N N 15 109.844 . . 1 . . . . 1475 GLY N . 17552 1 286 . 1 1 78 78 SER H H 1 7.929 . . 1 . . . . 1476 SER H . 17552 1 287 . 1 1 78 78 SER CA C 13 56.237 . . 1 . . . . 1476 SER CA . 17552 1 288 . 1 1 78 78 SER CB C 13 63.273 . . 1 . . . . 1476 SER CB . 17552 1 289 . 1 1 78 78 SER N N 15 116.540 . . 1 . . . . 1476 SER N . 17552 1 290 . 1 1 79 79 LEU CA C 13 55.037 . . 1 . . . . 1478 LEU CA . 17552 1 291 . 1 1 79 79 LEU CB C 13 41.947 . . 1 . . . . 1478 LEU CB . 17552 1 292 . 1 1 80 80 SER H H 1 7.996 . . 1 . . . . 1479 SER H . 17552 1 293 . 1 1 80 80 SER CA C 13 58.039 . . 1 . . . . 1479 SER CA . 17552 1 294 . 1 1 80 80 SER CB C 13 63.549 . . 1 . . . . 1479 SER CB . 17552 1 295 . 1 1 80 80 SER N N 15 116.385 . . 1 . . . . 1479 SER N . 17552 1 296 . 1 1 81 81 VAL H H 1 7.837 . . 1 . . . . 1480 VAL H . 17552 1 297 . 1 1 81 81 VAL CA C 13 61.723 . . 1 . . . . 1480 VAL CA . 17552 1 298 . 1 1 81 81 VAL CB C 13 32.689 . . 1 . . . . 1480 VAL CB . 17552 1 299 . 1 1 81 81 VAL N N 15 121.391 . . 1 . . . . 1480 VAL N . 17552 1 300 . 1 1 82 82 ALA H H 1 8.104 . . 1 . . . . 1481 ALA H . 17552 1 301 . 1 1 82 82 ALA CA C 13 51.782 . . 1 . . . . 1481 ALA CA . 17552 1 302 . 1 1 82 82 ALA CB C 13 18.885 . . 1 . . . . 1481 ALA CB . 17552 1 303 . 1 1 82 82 ALA N N 15 127.665 . . 1 . . . . 1481 ALA N . 17552 1 304 . 1 1 83 83 LEU H H 1 8.051 . . 1 . . . . 1482 LEU H . 17552 1 305 . 1 1 83 83 LEU CA C 13 52.560 . . 1 . . . . 1482 LEU CA . 17552 1 306 . 1 1 83 83 LEU CB C 13 41.343 . . 1 . . . . 1482 LEU CB . 17552 1 307 . 1 1 83 83 LEU N N 15 123.242 . . 1 . . . . 1482 LEU N . 17552 1 308 . 1 1 84 84 PRO CA C 13 62.898 . . 1 . . . . 1483 PRO CA . 17552 1 309 . 1 1 84 84 PRO CB C 13 31.718 . . 1 . . . . 1483 PRO CB . 17552 1 310 . 1 1 85 85 THR H H 1 8.013 . . 1 . . . . 1484 THR H . 17552 1 311 . 1 1 85 85 THR CA C 13 61.755 . . 1 . . . . 1484 THR CA . 17552 1 312 . 1 1 85 85 THR CB C 13 69.594 . . 1 . . . . 1484 THR CB . 17552 1 313 . 1 1 85 85 THR N N 15 114.845 . . 1 . . . . 1484 THR N . 17552 1 314 . 1 1 86 86 LEU H H 1 8.057 . . 1 . . . . 1485 LEU H . 17552 1 315 . 1 1 86 86 LEU CA C 13 54.517 . . 1 . . . . 1485 LEU CA . 17552 1 316 . 1 1 86 86 LEU CB C 13 42.292 . . 1 . . . . 1485 LEU CB . 17552 1 317 . 1 1 86 86 LEU N N 15 125.117 . . 1 . . . . 1485 LEU N . 17552 1 318 . 1 1 87 87 ALA H H 1 8.089 . . 1 . . . . 1486 ALA H . 17552 1 319 . 1 1 87 87 ALA CA C 13 50.220 . . 1 . . . . 1486 ALA CA . 17552 1 320 . 1 1 87 87 ALA CB C 13 17.639 . . 1 . . . . 1486 ALA CB . 17552 1 321 . 1 1 87 87 ALA N N 15 126.658 . . 1 . . . . 1486 ALA N . 17552 1 322 . 1 1 88 88 PRO CA C 13 63.170 . . 1 . . . . 1487 PRO CA . 17552 1 323 . 1 1 88 88 PRO CB C 13 31.743 . . 1 . . . . 1487 PRO CB . 17552 1 324 . 1 1 89 89 LEU H H 1 7.965 . . 1 . . . . 1488 LEU H . 17552 1 325 . 1 1 89 89 LEU CA C 13 54.976 . . 1 . . . . 1488 LEU CA . 17552 1 326 . 1 1 89 89 LEU CB C 13 42.000 . . 1 . . . . 1488 LEU CB . 17552 1 327 . 1 1 89 89 LEU N N 15 121.376 . . 1 . . . . 1488 LEU N . 17552 1 328 . 1 1 90 90 SER H H 1 8.078 . . 1 . . . . 1489 SER H . 17552 1 329 . 1 1 90 90 SER CA C 13 57.898 . . 1 . . . . 1489 SER CA . 17552 1 330 . 1 1 90 90 SER CB C 13 63.600 . . 1 . . . . 1489 SER CB . 17552 1 331 . 1 1 90 90 SER N N 15 116.580 . . 1 . . . . 1489 SER N . 17552 1 332 . 1 1 91 91 VAL H H 1 7.954 . . 1 . . . . 1490 VAL H . 17552 1 333 . 1 1 91 91 VAL CA C 13 62.078 . . 1 . . . . 1490 VAL CA . 17552 1 334 . 1 1 91 91 VAL CB C 13 32.505 . . 1 . . . . 1490 VAL CB . 17552 1 335 . 1 1 91 91 VAL N N 15 121.997 . . 1 . . . . 1490 VAL N . 17552 1 336 . 1 1 92 92 VAL H H 1 8.093 . . 1 . . . . 1491 VAL H . 17552 1 337 . 1 1 92 92 VAL CA C 13 62.217 . . 1 . . . . 1491 VAL CA . 17552 1 338 . 1 1 92 92 VAL CB C 13 32.391 . . 1 . . . . 1491 VAL CB . 17552 1 339 . 1 1 92 92 VAL N N 15 124.336 . . 1 . . . . 1491 VAL N . 17552 1 340 . 1 1 93 93 THR H H 1 8.113 . . 1 . . . . 1492 THR H . 17552 1 341 . 1 1 93 93 THR CA C 13 61.474 . . 1 . . . . 1492 THR CA . 17552 1 342 . 1 1 93 93 THR CB C 13 69.618 . . 1 . . . . 1492 THR CB . 17552 1 343 . 1 1 93 93 THR N N 15 118.325 . . 1 . . . . 1492 THR N . 17552 1 344 . 1 1 94 94 SER H H 1 8.157 . . 1 . . . . 1493 SER H . 17552 1 345 . 1 1 94 94 SER CA C 13 58.205 . . 1 . . . . 1493 SER CA . 17552 1 346 . 1 1 94 94 SER CB C 13 63.634 . . 1 . . . . 1493 SER CB . 17552 1 347 . 1 1 94 94 SER N N 15 118.105 . . 1 . . . . 1493 SER N . 17552 1 348 . 1 1 95 95 GLY H H 1 8.357 . . 1 . . . . 1494 GLY H . 17552 1 349 . 1 1 95 95 GLY CA C 13 45.041 . . 1 . . . . 1494 GLY CA . 17552 1 350 . 1 1 95 95 GLY N N 15 110.820 . . 1 . . . . 1494 GLY N . 17552 1 351 . 1 1 96 96 ALA H H 1 7.888 . . 1 . . . . 1495 ALA H . 17552 1 352 . 1 1 96 96 ALA CA C 13 51.778 . . 1 . . . . 1495 ALA CA . 17552 1 353 . 1 1 96 96 ALA CB C 13 19.106 . . 1 . . . . 1495 ALA CB . 17552 1 354 . 1 1 96 96 ALA N N 15 123.441 . . 1 . . . . 1495 ALA N . 17552 1 355 . 1 1 97 97 ALA H H 1 8.112 . . 1 . . . . 1496 ALA H . 17552 1 356 . 1 1 97 97 ALA CA C 13 50.250 . . 1 . . . . 1496 ALA CA . 17552 1 357 . 1 1 97 97 ALA CB C 13 17.622 . . 1 . . . . 1496 ALA CB . 17552 1 358 . 1 1 97 97 ALA N N 15 125.026 . . 1 . . . . 1496 ALA N . 17552 1 359 . 1 1 98 98 PRO CA C 13 62.671 . . 1 . . . . 1497 PRO CA . 17552 1 360 . 1 1 98 98 PRO CB C 13 31.768 . . 1 . . . . 1497 PRO CB . 17552 1 361 . 1 1 99 99 LYS H H 1 8.257 . . 1 . . . . 1498 LYS H . 17552 1 362 . 1 1 99 99 LYS CA C 13 55.950 . . 1 . . . . 1498 LYS CA . 17552 1 363 . 1 1 99 99 LYS CB C 13 31.762 . . 1 . . . . 1498 LYS CB . 17552 1 364 . 1 1 99 99 LYS N N 15 117.448 . . 1 . . . . 1498 LYS N . 17552 1 365 . 1 1 100 100 SER H H 1 8.256 . . 1 . . . . 1499 SER H . 17552 1 366 . 1 1 100 100 SER CA C 13 58.498 . . 1 . . . . 1499 SER CA . 17552 1 367 . 1 1 100 100 SER CB C 13 63.496 . . 1 . . . . 1499 SER CB . 17552 1 368 . 1 1 100 100 SER N N 15 117.443 . . 1 . . . . 1499 SER N . 17552 1 369 . 1 1 101 101 SER H H 1 8.216 . . 1 . . . . 1500 SER H . 17552 1 370 . 1 1 101 101 SER CA C 13 58.245 . . 1 . . . . 1500 SER CA . 17552 1 371 . 1 1 101 101 SER CB C 13 63.560 . . 1 . . . . 1500 SER CB . 17552 1 372 . 1 1 101 101 SER N N 15 117.518 . . 1 . . . . 1500 SER N . 17552 1 373 . 1 1 102 102 GLU H H 1 7.961 . . 1 . . . . 1501 GLU H . 17552 1 374 . 1 1 102 102 GLU CA C 13 56.196 . . 1 . . . . 1501 GLU CA . 17552 1 375 . 1 1 102 102 GLU CB C 13 29.742 . . 1 . . . . 1501 GLU CB . 17552 1 376 . 1 1 102 102 GLU N N 15 120.689 . . 1 . . . . 1501 GLU N . 17552 1 377 . 1 1 103 103 VAL H H 1 7.961 . . 1 . . . . 1502 VAL H . 17552 1 378 . 1 1 103 103 VAL CA C 13 62.268 . . 1 . . . . 1502 VAL CA . 17552 1 379 . 1 1 103 103 VAL CB C 13 32.356 . . 1 . . . . 1502 VAL CB . 17552 1 380 . 1 1 103 103 VAL N N 15 120.698 . . 1 . . . . 1502 VAL N . 17552 1 381 . 1 1 104 104 ASN H H 1 8.364 . . 1 . . . . 1503 ASN H . 17552 1 382 . 1 1 104 104 ASN CA C 13 53.066 . . 1 . . . . 1503 ASN CA . 17552 1 383 . 1 1 104 104 ASN CB C 13 38.863 . . 1 . . . . 1503 ASN CB . 17552 1 384 . 1 1 104 104 ASN N N 15 122.056 . . 1 . . . . 1503 ASN N . 17552 1 385 . 1 1 105 105 GLY H H 1 8.199 . . 1 . . . . 1504 GLY H . 17552 1 386 . 1 1 105 105 GLY CA C 13 45.265 . . 1 . . . . 1504 GLY CA . 17552 1 387 . 1 1 105 105 GLY N N 15 109.369 . . 1 . . . . 1504 GLY N . 17552 1 388 . 1 1 106 106 THR H H 1 7.910 . . 1 . . . . 1505 THR H . 17552 1 389 . 1 1 106 106 THR CA C 13 62.799 . . 1 . . . . 1505 THR CA . 17552 1 390 . 1 1 106 106 THR CB C 13 69.612 . . 1 . . . . 1505 THR CB . 17552 1 391 . 1 1 106 106 THR N N 15 112.661 . . 1 . . . . 1505 THR N . 17552 1 392 . 1 1 107 107 ASP H H 1 8.243 . . 1 . . . . 1506 ASP H . 17552 1 393 . 1 1 107 107 ASP CA C 13 54.460 . . 1 . . . . 1506 ASP CA . 17552 1 394 . 1 1 107 107 ASP CB C 13 40.928 . . 1 . . . . 1506 ASP CB . 17552 1 395 . 1 1 107 107 ASP N N 15 122.689 . . 1 . . . . 1506 ASP N . 17552 1 396 . 1 1 108 108 ARG H H 1 7.646 . . 1 . . . . 1507 ARG H . 17552 1 397 . 1 1 108 108 ARG CA C 13 56.987 . . 1 . . . . 1507 ARG CA . 17552 1 398 . 1 1 108 108 ARG CB C 13 31.272 . . 1 . . . . 1507 ARG CB . 17552 1 399 . 1 1 108 108 ARG N N 15 125.448 . . 1 . . . . 1507 ARG N . 17552 1 stop_ save_