data_28048 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28048 _Entry.Title ; Chemical Shift Assignments for BRG1 ATBD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-25 _Entry.Accession_date 2019-11-25 _Entry.Last_release_date 2019-11-26 _Entry.Original_release_date 2019-11-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Julio Sanchez . C. . . 28048 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28048 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 272 28048 '15N chemical shifts' 113 28048 '1H chemical shifts' 252 28048 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-05-14 2019-11-25 update BMRB 'update entry citation' 28048 1 . . 2020-01-10 2019-11-25 original author 'original release' 28048 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28048 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32376391 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The molecular basis of specific DNA binding by the BRG1 AT-hook and bromodomain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Gene Regul. Mech.' _Citation.Journal_name_full 'Biochimica et biophysica acta. Gene regulatory mechanisms' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1876-4320 _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 194566 _Citation.Page_last 194566 _Citation.Year 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Julio Sanchez J. C. . . 28048 1 2 Liyang Zhang L. . . . 28048 1 3 Stefania Evoli S. . . . 28048 1 4 Nicholas Schnicker N. J. . . 28048 1 5 Maria Nunez-Hernandez M. . . . 28048 1 6 Liping Yu L. . . . 28048 1 7 Jeff Wereszczynski J. . . . 28048 1 8 Miles Pufall M. A. . . 28048 1 9 Catherine Musselman C. A. . . 28048 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28048 _Assembly.ID 1 _Assembly.Name 'BRG1 ATBD' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 ATBD 1 $BRG1_ATBD A . yes native no no . . . 28048 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BRG1_ATBD _Entity.Sf_category entity _Entity.Sf_framecode BRG1_ATBD _Entity.Entry_ID 28048 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BRG1_ATBD _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 ; GPLGSDDESKKQKKRGRPPA EKLSPNPPNLTKKMKKIVDA VIKYKDSSSGRQLSEVFIQL PSRKELPEYYELIRKPVDFK KIKERIRNHKYRSLNDLEKD VMLLCQNAQTFNLEGSLIYE DSIVLQSVFTSVRQKIEKED D ; _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 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide 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 . _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 1429 GLY . 28048 1 2 1430 PRO . 28048 1 3 1431 LEU . 28048 1 4 1432 GLY . 28048 1 5 1433 SER . 28048 1 6 1434 ASP . 28048 1 7 1435 ASP . 28048 1 8 1436 GLU . 28048 1 9 1437 SER . 28048 1 10 1438 LYS . 28048 1 11 1439 LYS . 28048 1 12 1440 GLN . 28048 1 13 1441 LYS . 28048 1 14 1442 LYS . 28048 1 15 1443 ARG . 28048 1 16 1444 GLY . 28048 1 17 1445 ARG . 28048 1 18 1446 PRO . 28048 1 19 1447 PRO . 28048 1 20 1448 ALA . 28048 1 21 1449 GLU . 28048 1 22 1450 LYS . 28048 1 23 1451 LEU . 28048 1 24 1452 SER . 28048 1 25 1453 PRO . 28048 1 26 1454 ASN . 28048 1 27 1455 PRO . 28048 1 28 1456 PRO . 28048 1 29 1457 ASN . 28048 1 30 1458 LEU . 28048 1 31 1459 THR . 28048 1 32 1460 LYS . 28048 1 33 1461 LYS . 28048 1 34 1462 MET . 28048 1 35 1463 LYS . 28048 1 36 1464 LYS . 28048 1 37 1465 ILE . 28048 1 38 1466 VAL . 28048 1 39 1467 ASP . 28048 1 40 1468 ALA . 28048 1 41 1469 VAL . 28048 1 42 1470 ILE . 28048 1 43 1471 LYS . 28048 1 44 1472 TYR . 28048 1 45 1473 LYS . 28048 1 46 1474 ASP . 28048 1 47 1475 SER . 28048 1 48 1476 SER . 28048 1 49 1477 SER . 28048 1 50 1478 GLY . 28048 1 51 1479 ARG . 28048 1 52 1480 GLN . 28048 1 53 1481 LEU . 28048 1 54 1482 SER . 28048 1 55 1483 GLU . 28048 1 56 1484 VAL . 28048 1 57 1485 PHE . 28048 1 58 1486 ILE . 28048 1 59 1487 GLN . 28048 1 60 1488 LEU . 28048 1 61 1489 PRO . 28048 1 62 1490 SER . 28048 1 63 1491 ARG . 28048 1 64 1492 LYS . 28048 1 65 1493 GLU . 28048 1 66 1494 LEU . 28048 1 67 1495 PRO . 28048 1 68 1496 GLU . 28048 1 69 1497 TYR . 28048 1 70 1498 TYR . 28048 1 71 1499 GLU . 28048 1 72 1500 LEU . 28048 1 73 1501 ILE . 28048 1 74 1502 ARG . 28048 1 75 1503 LYS . 28048 1 76 1504 PRO . 28048 1 77 1505 VAL . 28048 1 78 1506 ASP . 28048 1 79 1507 PHE . 28048 1 80 1508 LYS . 28048 1 81 1509 LYS . 28048 1 82 1510 ILE . 28048 1 83 1511 LYS . 28048 1 84 1512 GLU . 28048 1 85 1513 ARG . 28048 1 86 1514 ILE . 28048 1 87 1515 ARG . 28048 1 88 1516 ASN . 28048 1 89 1517 HIS . 28048 1 90 1518 LYS . 28048 1 91 1519 TYR . 28048 1 92 1520 ARG . 28048 1 93 1521 SER . 28048 1 94 1522 LEU . 28048 1 95 1523 ASN . 28048 1 96 1524 ASP . 28048 1 97 1525 LEU . 28048 1 98 1526 GLU . 28048 1 99 1527 LYS . 28048 1 100 1528 ASP . 28048 1 101 1529 VAL . 28048 1 102 1530 MET . 28048 1 103 1531 LEU . 28048 1 104 1532 LEU . 28048 1 105 1533 CYS . 28048 1 106 1534 GLN . 28048 1 107 1535 ASN . 28048 1 108 1536 ALA . 28048 1 109 1537 GLN . 28048 1 110 1538 THR . 28048 1 111 1539 PHE . 28048 1 112 1540 ASN . 28048 1 113 1541 LEU . 28048 1 114 1542 GLU . 28048 1 115 1543 GLY . 28048 1 116 1544 SER . 28048 1 117 1545 LEU . 28048 1 118 1546 ILE . 28048 1 119 1547 TYR . 28048 1 120 1548 GLU . 28048 1 121 1549 ASP . 28048 1 122 1550 SER . 28048 1 123 1551 ILE . 28048 1 124 1552 VAL . 28048 1 125 1553 LEU . 28048 1 126 1554 GLN . 28048 1 127 1555 SER . 28048 1 128 1556 VAL . 28048 1 129 1557 PHE . 28048 1 130 1558 THR . 28048 1 131 1559 SER . 28048 1 132 1560 VAL . 28048 1 133 1561 ARG . 28048 1 134 1562 GLN . 28048 1 135 1563 LYS . 28048 1 136 1564 ILE . 28048 1 137 1565 GLU . 28048 1 138 1566 LYS . 28048 1 139 1567 GLU . 28048 1 140 1568 ASP . 28048 1 141 1569 ASP . 28048 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 28048 1 . PRO 2 2 28048 1 . LEU 3 3 28048 1 . GLY 4 4 28048 1 . SER 5 5 28048 1 . ASP 6 6 28048 1 . ASP 7 7 28048 1 . GLU 8 8 28048 1 . SER 9 9 28048 1 . LYS 10 10 28048 1 . LYS 11 11 28048 1 . GLN 12 12 28048 1 . LYS 13 13 28048 1 . LYS 14 14 28048 1 . ARG 15 15 28048 1 . GLY 16 16 28048 1 . ARG 17 17 28048 1 . PRO 18 18 28048 1 . PRO 19 19 28048 1 . ALA 20 20 28048 1 . GLU 21 21 28048 1 . LYS 22 22 28048 1 . LEU 23 23 28048 1 . SER 24 24 28048 1 . PRO 25 25 28048 1 . ASN 26 26 28048 1 . PRO 27 27 28048 1 . PRO 28 28 28048 1 . ASN 29 29 28048 1 . LEU 30 30 28048 1 . THR 31 31 28048 1 . LYS 32 32 28048 1 . LYS 33 33 28048 1 . MET 34 34 28048 1 . LYS 35 35 28048 1 . LYS 36 36 28048 1 . ILE 37 37 28048 1 . VAL 38 38 28048 1 . ASP 39 39 28048 1 . ALA 40 40 28048 1 . VAL 41 41 28048 1 . ILE 42 42 28048 1 . LYS 43 43 28048 1 . TYR 44 44 28048 1 . LYS 45 45 28048 1 . ASP 46 46 28048 1 . SER 47 47 28048 1 . SER 48 48 28048 1 . SER 49 49 28048 1 . GLY 50 50 28048 1 . ARG 51 51 28048 1 . GLN 52 52 28048 1 . LEU 53 53 28048 1 . SER 54 54 28048 1 . GLU 55 55 28048 1 . VAL 56 56 28048 1 . PHE 57 57 28048 1 . ILE 58 58 28048 1 . GLN 59 59 28048 1 . LEU 60 60 28048 1 . PRO 61 61 28048 1 . SER 62 62 28048 1 . ARG 63 63 28048 1 . LYS 64 64 28048 1 . GLU 65 65 28048 1 . LEU 66 66 28048 1 . PRO 67 67 28048 1 . GLU 68 68 28048 1 . TYR 69 69 28048 1 . TYR 70 70 28048 1 . GLU 71 71 28048 1 . LEU 72 72 28048 1 . ILE 73 73 28048 1 . ARG 74 74 28048 1 . LYS 75 75 28048 1 . PRO 76 76 28048 1 . VAL 77 77 28048 1 . ASP 78 78 28048 1 . PHE 79 79 28048 1 . LYS 80 80 28048 1 . LYS 81 81 28048 1 . ILE 82 82 28048 1 . LYS 83 83 28048 1 . GLU 84 84 28048 1 . ARG 85 85 28048 1 . ILE 86 86 28048 1 . ARG 87 87 28048 1 . ASN 88 88 28048 1 . HIS 89 89 28048 1 . LYS 90 90 28048 1 . TYR 91 91 28048 1 . ARG 92 92 28048 1 . SER 93 93 28048 1 . LEU 94 94 28048 1 . ASN 95 95 28048 1 . ASP 96 96 28048 1 . LEU 97 97 28048 1 . GLU 98 98 28048 1 . LYS 99 99 28048 1 . ASP 100 100 28048 1 . VAL 101 101 28048 1 . MET 102 102 28048 1 . LEU 103 103 28048 1 . LEU 104 104 28048 1 . CYS 105 105 28048 1 . GLN 106 106 28048 1 . ASN 107 107 28048 1 . ALA 108 108 28048 1 . GLN 109 109 28048 1 . THR 110 110 28048 1 . PHE 111 111 28048 1 . ASN 112 112 28048 1 . LEU 113 113 28048 1 . GLU 114 114 28048 1 . GLY 115 115 28048 1 . SER 116 116 28048 1 . LEU 117 117 28048 1 . ILE 118 118 28048 1 . TYR 119 119 28048 1 . GLU 120 120 28048 1 . ASP 121 121 28048 1 . SER 122 122 28048 1 . ILE 123 123 28048 1 . VAL 124 124 28048 1 . LEU 125 125 28048 1 . GLN 126 126 28048 1 . SER 127 127 28048 1 . VAL 128 128 28048 1 . PHE 129 129 28048 1 . THR 130 130 28048 1 . SER 131 131 28048 1 . VAL 132 132 28048 1 . ARG 133 133 28048 1 . GLN 134 134 28048 1 . LYS 135 135 28048 1 . ILE 136 136 28048 1 . GLU 137 137 28048 1 . LYS 138 138 28048 1 . GLU 139 139 28048 1 . ASP 140 140 28048 1 . ASP 141 141 28048 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 28048 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BRG1_ATBD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28048 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 28048 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BRG1_ATBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX . . . 28048 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28048 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'BRG1 ATBD' '[U-99% 13C; U-99% 15N]' . . 1 $BRG1_ATBD . . 600 . . uM . . . . 28048 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 28048 1 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 28048 1 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 28048 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 28048 1 pH 7.0 . pH 28048 1 pressure 1 . atm 28048 1 temperature 298 . K 28048 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28048 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 28048 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28048 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28048 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 28048 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 28048 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 28048 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28048 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28048 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28048 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28048 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28048 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28048 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28048 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28048 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28048 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28048 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 28048 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0 internal direct 1.0 . . . . . 28048 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 28048 1 N 15 water protons . . . . ppm 0 internal direct 1.0 . . . . . 28048 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 28048 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 28048 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 3 3 LEU H H 1 8.553 0.004 . 1 . . . . . 1431 LEU H . 28048 1 2 . 1 . 1 3 3 LEU CA C 13 55.455 0.007 . 1 . . . . . 1431 LEU CA . 28048 1 3 . 1 . 1 3 3 LEU CB C 13 42.245 0.050 . 1 . . . . . 1431 LEU CB . 28048 1 4 . 1 . 1 3 3 LEU N N 15 122.290 0.161 . 1 . . . . . 1431 LEU N . 28048 1 5 . 1 . 1 4 4 GLY H H 1 8.457 0.004 . 1 . . . . . 1432 GLY H . 28048 1 6 . 1 . 1 4 4 GLY CA C 13 45.337 0.014 . 1 . . . . . 1432 GLY CA . 28048 1 7 . 1 . 1 4 4 GLY N N 15 110.243 0.028 . 1 . . . . . 1432 GLY N . 28048 1 8 . 1 . 1 5 5 SER H H 1 8.229 0.005 . 1 . . . . . 1433 SER H . 28048 1 9 . 1 . 1 5 5 SER N N 15 115.512 0.107 . 1 . . . . . 1433 SER N . 28048 1 10 . 1 . 1 6 6 ASP H H 1 8.494 0.020 . 1 . . . . . 1434 ASP H . 28048 1 11 . 1 . 1 6 6 ASP CA C 13 54.863 0.277 . 1 . . . . . 1434 ASP CA . 28048 1 12 . 1 . 1 6 6 ASP CB C 13 41.194 0.011 . 1 . . . . . 1434 ASP CB . 28048 1 13 . 1 . 1 6 6 ASP N N 15 122.219 0.212 . 1 . . . . . 1434 ASP N . 28048 1 14 . 1 . 1 7 7 ASP H H 1 8.218 0.001 . 1 . . . . . 1435 ASP H . 28048 1 15 . 1 . 1 7 7 ASP CA C 13 55.088 0.046 . 1 . . . . . 1435 ASP CA . 28048 1 16 . 1 . 1 7 7 ASP CB C 13 41.223 0.020 . 1 . . . . . 1435 ASP CB . 28048 1 17 . 1 . 1 7 7 ASP N N 15 120.441 0.001 . 1 . . . . . 1435 ASP N . 28048 1 18 . 1 . 1 8 8 GLU H H 1 8.478 0.001 . 1 . . . . . 1436 GLU H . 28048 1 19 . 1 . 1 8 8 GLU HA H 1 4.095 0.000 . 1 . . . . . 1436 GLU HA . 28048 1 20 . 1 . 1 8 8 GLU HB2 H 1 1.983 0.000 . 1 . . . . . 1436 GLU HB2 . 28048 1 21 . 1 . 1 8 8 GLU HG2 H 1 2.212 0.000 . 1 . . . . . 1436 GLU HG2 . 28048 1 22 . 1 . 1 8 8 GLU CA C 13 58.029 0.025 . 1 . . . . . 1436 GLU CA . 28048 1 23 . 1 . 1 8 8 GLU CB C 13 29.760 0.064 . 1 . . . . . 1436 GLU CB . 28048 1 24 . 1 . 1 8 8 GLU CG C 13 36.303 0.000 . 1 . . . . . 1436 GLU CG . 28048 1 25 . 1 . 1 8 8 GLU N N 15 121.875 0.005 . 1 . . . . . 1436 GLU N . 28048 1 26 . 1 . 1 9 9 SER H H 1 8.296 0.057 . 1 . . . . . 1437 SER H . 28048 1 27 . 1 . 1 9 9 SER HA H 1 4.227 0.002 . 1 . . . . . 1437 SER HA . 28048 1 28 . 1 . 1 9 9 SER HB2 H 1 3.855 0.000 . 1 . . . . . 1437 SER HB2 . 28048 1 29 . 1 . 1 9 9 SER CA C 13 60.153 0.076 . 1 . . . . . 1437 SER CA . 28048 1 30 . 1 . 1 9 9 SER CB C 13 63.226 0.058 . 1 . . . . . 1437 SER CB . 28048 1 31 . 1 . 1 9 9 SER N N 15 115.778 0.013 . 1 . . . . . 1437 SER N . 28048 1 32 . 1 . 1 10 10 LYS H H 1 7.934 0.013 . 1 . . . . . 1438 LYS H . 28048 1 33 . 1 . 1 10 10 LYS HA H 1 4.179 0.002 . 1 . . . . . 1438 LYS HA . 28048 1 34 . 1 . 1 10 10 LYS HB2 H 1 1.843 0.002 . 1 . . . . . 1438 LYS HB2 . 28048 1 35 . 1 . 1 10 10 LYS HG2 H 1 1.360 0.005 . 2 . . . . . 1438 LYS HG2 . 28048 1 36 . 1 . 1 10 10 LYS HG3 H 1 1.378 0.000 . 2 . . . . . 1438 LYS HG3 . 28048 1 37 . 1 . 1 10 10 LYS HD2 H 1 1.665 0.000 . 2 . . . . . 1438 LYS HD2 . 28048 1 38 . 1 . 1 10 10 LYS HD3 H 1 1.620 0.005 . 2 . . . . . 1438 LYS HD3 . 28048 1 39 . 1 . 1 10 10 LYS HE2 H 1 2.885 0.001 . 2 . . . . . 1438 LYS HE2 . 28048 1 40 . 1 . 1 10 10 LYS HE3 H 1 2.931 0.001 . 2 . . . . . 1438 LYS HE3 . 28048 1 41 . 1 . 1 10 10 LYS CA C 13 57.116 0.019 . 1 . . . . . 1438 LYS CA . 28048 1 42 . 1 . 1 10 10 LYS CB C 13 32.543 0.012 . 1 . . . . . 1438 LYS CB . 28048 1 43 . 1 . 1 10 10 LYS CG C 13 25.145 0.000 . 1 . . . . . 1438 LYS CG . 28048 1 44 . 1 . 1 10 10 LYS CD C 13 29.115 0.024 . 1 . . . . . 1438 LYS CD . 28048 1 45 . 1 . 1 10 10 LYS CE C 13 42.064 0.000 . 1 . . . . . 1438 LYS CE . 28048 1 46 . 1 . 1 10 10 LYS N N 15 121.553 0.100 . 1 . . . . . 1438 LYS N . 28048 1 47 . 1 . 1 11 11 LYS H H 1 7.874 0.006 . 1 . . . . . 1439 LYS H . 28048 1 48 . 1 . 1 11 11 LYS HA H 1 4.152 0.000 . 1 . . . . . 1439 LYS HA . 28048 1 49 . 1 . 1 11 11 LYS HB2 H 1 1.827 0.000 . 2 . . . . . 1439 LYS HB2 . 28048 1 50 . 1 . 1 11 11 LYS HB3 H 1 1.786 0.000 . 2 . . . . . 1439 LYS HB3 . 28048 1 51 . 1 . 1 11 11 LYS HG2 H 1 1.352 0.000 . 2 . . . . . 1439 LYS HG2 . 28048 1 52 . 1 . 1 11 11 LYS HG3 H 1 1.332 0.007 . 2 . . . . . 1439 LYS HG3 . 28048 1 53 . 1 . 1 11 11 LYS HD2 H 1 1.610 0.000 . 2 . . . . . 1439 LYS HD2 . 28048 1 54 . 1 . 1 11 11 LYS HD3 H 1 1.561 0.001 . 2 . . . . . 1439 LYS HD3 . 28048 1 55 . 1 . 1 11 11 LYS HE2 H 1 2.847 0.000 . 2 . . . . . 1439 LYS HE2 . 28048 1 56 . 1 . 1 11 11 LYS HE3 H 1 2.878 0.000 . 2 . . . . . 1439 LYS HE3 . 28048 1 57 . 1 . 1 11 11 LYS CA C 13 57.040 0.071 . 1 . . . . . 1439 LYS CA . 28048 1 58 . 1 . 1 11 11 LYS CB C 13 32.836 0.028 . 1 . . . . . 1439 LYS CB . 28048 1 59 . 1 . 1 11 11 LYS CG C 13 25.031 0.000 . 1 . . . . . 1439 LYS CG . 28048 1 60 . 1 . 1 11 11 LYS CD C 13 29.241 0.000 . 1 . . . . . 1439 LYS CD . 28048 1 61 . 1 . 1 11 11 LYS CE C 13 41.930 0.000 . 1 . . . . . 1439 LYS CE . 28048 1 62 . 1 . 1 11 11 LYS N N 15 120.199 0.101 . 1 . . . . . 1439 LYS N . 28048 1 63 . 1 . 1 12 12 GLN H H 1 8.156 0.015 . 1 . . . . . 1440 GLN H . 28048 1 64 . 1 . 1 12 12 GLN HA H 1 4.187 0.003 . 1 . . . . . 1440 GLN HA . 28048 1 65 . 1 . 1 12 12 GLN HB2 H 1 1.976 0.001 . 1 . . . . . 1440 GLN HB2 . 28048 1 66 . 1 . 1 12 12 GLN HG2 H 1 2.314 0.000 . 1 . . . . . 1440 GLN HG2 . 28048 1 67 . 1 . 1 12 12 GLN CA C 13 56.180 0.139 . 1 . . . . . 1440 GLN CA . 28048 1 68 . 1 . 1 12 12 GLN CB C 13 29.169 0.128 . 1 . . . . . 1440 GLN CB . 28048 1 69 . 1 . 1 12 12 GLN CG C 13 33.707 0.000 . 1 . . . . . 1440 GLN CG . 28048 1 70 . 1 . 1 12 12 GLN N N 15 120.216 0.072 . 1 . . . . . 1440 GLN N . 28048 1 71 . 1 . 1 13 13 LYS H H 1 8.231 0.007 . 1 . . . . . 1441 LYS H . 28048 1 72 . 1 . 1 13 13 LYS HA H 1 4.192 0.000 . 1 . . . . . 1441 LYS HA . 28048 1 73 . 1 . 1 13 13 LYS HB2 H 1 1.791 0.000 . 2 . . . . . 1441 LYS HB2 . 28048 1 74 . 1 . 1 13 13 LYS HB3 H 1 1.840 0.000 . 2 . . . . . 1441 LYS HB3 . 28048 1 75 . 1 . 1 13 13 LYS HG2 H 1 1.382 0.000 . 2 . . . . . 1441 LYS HG2 . 28048 1 76 . 1 . 1 13 13 LYS HG3 H 1 1.390 0.000 . 2 . . . . . 1441 LYS HG3 . 28048 1 77 . 1 . 1 13 13 LYS HD2 H 1 1.639 0.000 . 2 . . . . . 1441 LYS HD2 . 28048 1 78 . 1 . 1 13 13 LYS HD3 H 1 1.664 0.000 . 2 . . . . . 1441 LYS HD3 . 28048 1 79 . 1 . 1 13 13 LYS HE2 H 1 2.898 0.000 . 2 . . . . . 1441 LYS HE2 . 28048 1 80 . 1 . 1 13 13 LYS HE3 H 1 2.941 0.000 . 2 . . . . . 1441 LYS HE3 . 28048 1 81 . 1 . 1 13 13 LYS CA C 13 56.573 0.023 . 1 . . . . . 1441 LYS CA . 28048 1 82 . 1 . 1 13 13 LYS CB C 13 32.932 0.037 . 1 . . . . . 1441 LYS CB . 28048 1 83 . 1 . 1 13 13 LYS CG C 13 24.954 0.000 . 1 . . . . . 1441 LYS CG . 28048 1 84 . 1 . 1 13 13 LYS CD C 13 29.149 0.000 . 1 . . . . . 1441 LYS CD . 28048 1 85 . 1 . 1 13 13 LYS CE C 13 42.001 0.000 . 1 . . . . . 1441 LYS CE . 28048 1 86 . 1 . 1 13 13 LYS N N 15 122.361 0.001 . 1 . . . . . 1441 LYS N . 28048 1 87 . 1 . 1 14 14 LYS H H 1 8.267 0.009 . 1 . . . . . 1442 LYS H . 28048 1 88 . 1 . 1 14 14 LYS HA H 1 4.211 0.000 . 1 . . . . . 1442 LYS HA . 28048 1 89 . 1 . 1 14 14 LYS HG2 H 1 1.349 0.000 . 2 . . . . . 1442 LYS HG2 . 28048 1 90 . 1 . 1 14 14 LYS HG3 H 1 1.370 0.000 . 2 . . . . . 1442 LYS HG3 . 28048 1 91 . 1 . 1 14 14 LYS HD2 H 1 1.687 0.000 . 2 . . . . . 1442 LYS HD2 . 28048 1 92 . 1 . 1 14 14 LYS HD3 H 1 1.652 0.000 . 2 . . . . . 1442 LYS HD3 . 28048 1 93 . 1 . 1 14 14 LYS HE2 H 1 2.899 0.000 . 2 . . . . . 1442 LYS HE2 . 28048 1 94 . 1 . 1 14 14 LYS HE3 H 1 2.934 0.000 . 2 . . . . . 1442 LYS HE3 . 28048 1 95 . 1 . 1 14 14 LYS CA C 13 56.520 0.060 . 1 . . . . . 1442 LYS CA . 28048 1 96 . 1 . 1 14 14 LYS CB C 13 32.921 0.007 . 1 . . . . . 1442 LYS CB . 28048 1 97 . 1 . 1 14 14 LYS CG C 13 24.829 0.000 . 1 . . . . . 1442 LYS CG . 28048 1 98 . 1 . 1 14 14 LYS CD C 13 29.200 0.000 . 1 . . . . . 1442 LYS CD . 28048 1 99 . 1 . 1 14 14 LYS CE C 13 41.996 0.000 . 1 . . . . . 1442 LYS CE . 28048 1 100 . 1 . 1 14 14 LYS N N 15 122.445 0.037 . 1 . . . . . 1442 LYS N . 28048 1 101 . 1 . 1 15 15 ARG H H 1 8.364 0.019 . 1 . . . . . 1443 ARG H . 28048 1 102 . 1 . 1 15 15 ARG HA H 1 4.256 0.004 . 1 . . . . . 1443 ARG HA . 28048 1 103 . 1 . 1 15 15 ARG HB2 H 1 1.744 0.008 . 1 . . . . . 1443 ARG HB2 . 28048 1 104 . 1 . 1 15 15 ARG HG2 H 1 1.603 0.002 . 1 . . . . . 1443 ARG HG2 . 28048 1 105 . 1 . 1 15 15 ARG HD2 H 1 3.124 0.000 . 1 . . . . . 1443 ARG HD2 . 28048 1 106 . 1 . 1 15 15 ARG CA C 13 56.400 0.000 . 1 . . . . . 1443 ARG CA . 28048 1 107 . 1 . 1 15 15 ARG CB C 13 30.916 0.018 . 1 . . . . . 1443 ARG CB . 28048 1 108 . 1 . 1 15 15 ARG CG C 13 26.939 0.000 . 1 . . . . . 1443 ARG CG . 28048 1 109 . 1 . 1 15 15 ARG CD C 13 43.110 0.000 . 1 . . . . . 1443 ARG CD . 28048 1 110 . 1 . 1 15 15 ARG N N 15 122.402 0.159 . 1 . . . . . 1443 ARG N . 28048 1 111 . 1 . 1 17 17 ARG H H 1 8.226 0.004 . 1 . . . . . 1445 ARG H . 28048 1 112 . 1 . 1 17 17 ARG HA H 1 4.561 0.003 . 1 . . . . . 1445 ARG HA . 28048 1 113 . 1 . 1 17 17 ARG HB2 H 1 1.761 0.000 . 1 . . . . . 1445 ARG HB2 . 28048 1 114 . 1 . 1 17 17 ARG HG2 H 1 1.619 0.000 . 1 . . . . . 1445 ARG HG2 . 28048 1 115 . 1 . 1 17 17 ARG HD2 H 1 3.112 0.009 . 1 . . . . . 1445 ARG HD2 . 28048 1 116 . 1 . 1 17 17 ARG CA C 13 53.903 0.000 . 1 . . . . . 1445 ARG CA . 28048 1 117 . 1 . 1 17 17 ARG CB C 13 30.262 0.018 . 1 . . . . . 1445 ARG CB . 28048 1 118 . 1 . 1 17 17 ARG CG C 13 26.920 0.000 . 1 . . . . . 1445 ARG CG . 28048 1 119 . 1 . 1 17 17 ARG CD C 13 43.150 0.000 . 1 . . . . . 1445 ARG CD . 28048 1 120 . 1 . 1 17 17 ARG N N 15 121.722 0.014 . 1 . . . . . 1445 ARG N . 28048 1 121 . 1 . 1 20 20 ALA H H 1 8.341 0.010 . 1 . . . . . 1448 ALA H . 28048 1 122 . 1 . 1 20 20 ALA CA C 13 52.536 0.058 . 1 . . . . . 1448 ALA CA . 28048 1 123 . 1 . 1 20 20 ALA CB C 13 19.415 0.115 . 1 . . . . . 1448 ALA CB . 28048 1 124 . 1 . 1 20 20 ALA N N 15 123.835 0.205 . 1 . . . . . 1448 ALA N . 28048 1 125 . 1 . 1 21 21 GLU H H 1 8.336 0.015 . 1 . . . . . 1449 GLU H . 28048 1 126 . 1 . 1 21 21 GLU CA C 13 56.605 0.045 . 1 . . . . . 1449 GLU CA . 28048 1 127 . 1 . 1 21 21 GLU CB C 13 30.509 0.008 . 1 . . . . . 1449 GLU CB . 28048 1 128 . 1 . 1 21 21 GLU N N 15 120.822 0.205 . 1 . . . . . 1449 GLU N . 28048 1 129 . 1 . 1 22 22 LYS H H 1 8.306 0.002 . 1 . . . . . 1450 LYS H . 28048 1 130 . 1 . 1 22 22 LYS HA H 1 4.242 0.001 . 1 . . . . . 1450 LYS HA . 28048 1 131 . 1 . 1 22 22 LYS HB2 H 1 1.822 0.000 . 1 . . . . . 1450 LYS HB2 . 28048 1 132 . 1 . 1 22 22 LYS HG2 H 1 1.345 0.000 . 1 . . . . . 1450 LYS HG2 . 28048 1 133 . 1 . 1 22 22 LYS HD2 H 1 1.641 0.000 . 1 . . . . . 1450 LYS HD2 . 28048 1 134 . 1 . 1 22 22 LYS HE2 H 1 2.922 0.000 . 1 . . . . . 1450 LYS HE2 . 28048 1 135 . 1 . 1 22 22 LYS CA C 13 56.150 0.103 . 1 . . . . . 1450 LYS CA . 28048 1 136 . 1 . 1 22 22 LYS CB C 13 33.090 0.015 . 1 . . . . . 1450 LYS CB . 28048 1 137 . 1 . 1 22 22 LYS CG C 13 24.752 0.000 . 1 . . . . . 1450 LYS CG . 28048 1 138 . 1 . 1 22 22 LYS CD C 13 29.093 0.000 . 1 . . . . . 1450 LYS CD . 28048 1 139 . 1 . 1 22 22 LYS CE C 13 41.950 0.000 . 1 . . . . . 1450 LYS CE . 28048 1 140 . 1 . 1 22 22 LYS N N 15 122.910 0.007 . 1 . . . . . 1450 LYS N . 28048 1 141 . 1 . 1 23 23 LEU H H 1 8.293 0.022 . 1 . . . . . 1451 LEU H . 28048 1 142 . 1 . 1 23 23 LEU HA H 1 4.337 0.002 . 1 . . . . . 1451 LEU HA . 28048 1 143 . 1 . 1 23 23 LEU HB2 H 1 1.534 0.000 . 1 . . . . . 1451 LEU HB2 . 28048 1 144 . 1 . 1 23 23 LEU HG H 1 1.539 0.000 . 1 . . . . . 1451 LEU HG . 28048 1 145 . 1 . 1 23 23 LEU HD11 H 1 0.820 0.000 . 1 . . . . . 1451 LEU HD11 . 28048 1 146 . 1 . 1 23 23 LEU HD12 H 1 0.820 0.000 . 1 . . . . . 1451 LEU HD12 . 28048 1 147 . 1 . 1 23 23 LEU HD13 H 1 0.820 0.000 . 1 . . . . . 1451 LEU HD13 . 28048 1 148 . 1 . 1 23 23 LEU CA C 13 54.479 0.067 . 1 . . . . . 1451 LEU CA . 28048 1 149 . 1 . 1 23 23 LEU CB C 13 42.574 0.025 . 1 . . . . . 1451 LEU CB . 28048 1 150 . 1 . 1 23 23 LEU CG C 13 26.770 0.000 . 1 . . . . . 1451 LEU CG . 28048 1 151 . 1 . 1 23 23 LEU CD1 C 13 24.619 0.000 . 1 . . . . . 1451 LEU CD1 . 28048 1 152 . 1 . 1 23 23 LEU N N 15 124.205 0.136 . 1 . . . . . 1451 LEU N . 28048 1 153 . 1 . 1 24 24 SER H H 1 8.405 0.009 . 1 . . . . . 1452 SER H . 28048 1 154 . 1 . 1 24 24 SER HA H 1 4.524 0.001 . 1 . . . . . 1452 SER HA . 28048 1 155 . 1 . 1 24 24 SER HB2 H 1 3.769 0.001 . 1 . . . . . 1452 SER HB2 . 28048 1 156 . 1 . 1 24 24 SER CA C 13 56.397 0.003 . 1 . . . . . 1452 SER CA . 28048 1 157 . 1 . 1 24 24 SER CB C 13 62.866 0.005 . 1 . . . . . 1452 SER CB . 28048 1 158 . 1 . 1 24 24 SER N N 15 118.725 0.012 . 1 . . . . . 1452 SER N . 28048 1 159 . 1 . 1 26 26 ASN H H 1 7.165 0.003 . 1 . . . . . 1454 ASN H . 28048 1 160 . 1 . 1 26 26 ASN N N 15 120.361 0.030 . 1 . . . . . 1454 ASN N . 28048 1 161 . 1 . 1 30 30 LEU H H 1 7.609 0.004 . 1 . . . . . 1458 LEU H . 28048 1 162 . 1 . 1 30 30 LEU HA H 1 3.964 0.000 . 1 . . . . . 1458 LEU HA . 28048 1 163 . 1 . 1 30 30 LEU HB2 H 1 1.569 0.000 . 1 . . . . . 1458 LEU HB2 . 28048 1 164 . 1 . 1 30 30 LEU HD11 H 1 0.843 0.001 . 1 . . . . . 1458 LEU HD11 . 28048 1 165 . 1 . 1 30 30 LEU HD12 H 1 0.843 0.001 . 1 . . . . . 1458 LEU HD12 . 28048 1 166 . 1 . 1 30 30 LEU HD13 H 1 0.843 0.001 . 1 . . . . . 1458 LEU HD13 . 28048 1 167 . 1 . 1 30 30 LEU CA C 13 57.871 0.007 . 1 . . . . . 1458 LEU CA . 28048 1 168 . 1 . 1 30 30 LEU CB C 13 41.396 0.052 . 1 . . . . . 1458 LEU CB . 28048 1 169 . 1 . 1 30 30 LEU CD1 C 13 23.001 0.000 . 1 . . . . . 1458 LEU CD1 . 28048 1 170 . 1 . 1 30 30 LEU N N 15 122.566 0.053 . 1 . . . . . 1458 LEU N . 28048 1 171 . 1 . 1 31 31 THR H H 1 7.674 0.007 . 1 . . . . . 1459 THR H . 28048 1 172 . 1 . 1 31 31 THR CA C 13 57.659 0.000 . 1 . . . . . 1459 THR CA . 28048 1 173 . 1 . 1 31 31 THR N N 15 116.971 0.008 . 1 . . . . . 1459 THR N . 28048 1 174 . 1 . 1 33 33 LYS H H 1 8.158 0.003 . 1 . . . . . 1461 LYS H . 28048 1 175 . 1 . 1 33 33 LYS HA H 1 3.872 0.001 . 1 . . . . . 1461 LYS HA . 28048 1 176 . 1 . 1 33 33 LYS HB2 H 1 1.858 0.000 . 1 . . . . . 1461 LYS HB2 . 28048 1 177 . 1 . 1 33 33 LYS HG2 H 1 1.310 0.000 . 1 . . . . . 1461 LYS HG2 . 28048 1 178 . 1 . 1 33 33 LYS HD2 H 1 1.642 0.001 . 1 . . . . . 1461 LYS HD2 . 28048 1 179 . 1 . 1 33 33 LYS HE2 H 1 2.906 0.000 . 1 . . . . . 1461 LYS HE2 . 28048 1 180 . 1 . 1 33 33 LYS CA C 13 60.183 0.062 . 1 . . . . . 1461 LYS CA . 28048 1 181 . 1 . 1 33 33 LYS CB C 13 32.505 0.020 . 1 . . . . . 1461 LYS CB . 28048 1 182 . 1 . 1 33 33 LYS CG C 13 25.105 0.000 . 1 . . . . . 1461 LYS CG . 28048 1 183 . 1 . 1 33 33 LYS CD C 13 29.601 0.000 . 1 . . . . . 1461 LYS CD . 28048 1 184 . 1 . 1 33 33 LYS CE C 13 41.939 0.000 . 1 . . . . . 1461 LYS CE . 28048 1 185 . 1 . 1 33 33 LYS N N 15 119.181 0.103 . 1 . . . . . 1461 LYS N . 28048 1 186 . 1 . 1 34 34 MET H H 1 7.706 0.009 . 1 . . . . . 1462 MET H . 28048 1 187 . 1 . 1 34 34 MET CA C 13 60.912 0.112 . 1 . . . . . 1462 MET CA . 28048 1 188 . 1 . 1 34 34 MET CB C 13 33.653 0.003 . 1 . . . . . 1462 MET CB . 28048 1 189 . 1 . 1 34 34 MET N N 15 118.865 0.080 . 1 . . . . . 1462 MET N . 28048 1 190 . 1 . 1 35 35 LYS H H 1 8.314 0.022 . 1 . . . . . 1463 LYS H . 28048 1 191 . 1 . 1 35 35 LYS CA C 13 60.623 0.399 . 1 . . . . . 1463 LYS CA . 28048 1 192 . 1 . 1 35 35 LYS CB C 13 33.237 0.583 . 1 . . . . . 1463 LYS CB . 28048 1 193 . 1 . 1 35 35 LYS N N 15 116.167 0.192 . 1 . . . . . 1463 LYS N . 28048 1 194 . 1 . 1 36 36 LYS H H 1 8.227 0.001 . 1 . . . . . 1464 LYS H . 28048 1 195 . 1 . 1 36 36 LYS HA H 1 3.988 0.001 . 1 . . . . . 1464 LYS HA . 28048 1 196 . 1 . 1 36 36 LYS HB2 H 1 1.826 0.000 . 1 . . . . . 1464 LYS HB2 . 28048 1 197 . 1 . 1 36 36 LYS HG2 H 1 1.324 0.001 . 1 . . . . . 1464 LYS HG2 . 28048 1 198 . 1 . 1 36 36 LYS HD2 H 1 1.606 0.001 . 1 . . . . . 1464 LYS HD2 . 28048 1 199 . 1 . 1 36 36 LYS HE2 H 1 2.816 0.000 . 1 . . . . . 1464 LYS HE2 . 28048 1 200 . 1 . 1 36 36 LYS CA C 13 60.019 0.023 . 1 . . . . . 1464 LYS CA . 28048 1 201 . 1 . 1 36 36 LYS CB C 13 33.259 0.032 . 1 . . . . . 1464 LYS CB . 28048 1 202 . 1 . 1 36 36 LYS CG C 13 26.193 0.000 . 1 . . . . . 1464 LYS CG . 28048 1 203 . 1 . 1 36 36 LYS CD C 13 30.339 0.000 . 1 . . . . . 1464 LYS CD . 28048 1 204 . 1 . 1 36 36 LYS CE C 13 41.793 0.000 . 1 . . . . . 1464 LYS CE . 28048 1 205 . 1 . 1 36 36 LYS N N 15 118.860 0.053 . 1 . . . . . 1464 LYS N . 28048 1 206 . 1 . 1 37 37 ILE H H 1 8.145 0.009 . 1 . . . . . 1465 ILE H . 28048 1 207 . 1 . 1 37 37 ILE CA C 13 64.797 0.000 . 1 . . . . . 1465 ILE CA . 28048 1 208 . 1 . 1 37 37 ILE CB C 13 38.471 0.026 . 1 . . . . . 1465 ILE CB . 28048 1 209 . 1 . 1 37 37 ILE N N 15 118.861 0.013 . 1 . . . . . 1465 ILE N . 28048 1 210 . 1 . 1 38 38 VAL H H 1 7.990 0.003 . 1 . . . . . 1466 VAL H . 28048 1 211 . 1 . 1 38 38 VAL CA C 13 67.839 0.018 . 1 . . . . . 1466 VAL CA . 28048 1 212 . 1 . 1 38 38 VAL CB C 13 31.349 0.018 . 1 . . . . . 1466 VAL CB . 28048 1 213 . 1 . 1 38 38 VAL N N 15 117.328 0.136 . 1 . . . . . 1466 VAL N . 28048 1 214 . 1 . 1 39 39 ASP H H 1 8.583 0.004 . 1 . . . . . 1467 ASP H . 28048 1 215 . 1 . 1 39 39 ASP CA C 13 57.783 0.009 . 1 . . . . . 1467 ASP CA . 28048 1 216 . 1 . 1 39 39 ASP CB C 13 40.769 0.020 . 1 . . . . . 1467 ASP CB . 28048 1 217 . 1 . 1 39 39 ASP N N 15 119.873 0.048 . 1 . . . . . 1467 ASP N . 28048 1 218 . 1 . 1 40 40 ALA H H 1 7.531 0.003 . 1 . . . . . 1468 ALA H . 28048 1 219 . 1 . 1 40 40 ALA HA H 1 3.982 0.000 . 1 . . . . . 1468 ALA HA . 28048 1 220 . 1 . 1 40 40 ALA HB1 H 1 1.453 0.002 . 1 . . . . . 1468 ALA HB1 . 28048 1 221 . 1 . 1 40 40 ALA HB2 H 1 1.453 0.002 . 1 . . . . . 1468 ALA HB2 . 28048 1 222 . 1 . 1 40 40 ALA HB3 H 1 1.453 0.002 . 1 . . . . . 1468 ALA HB3 . 28048 1 223 . 1 . 1 40 40 ALA CA C 13 54.839 0.096 . 1 . . . . . 1468 ALA CA . 28048 1 224 . 1 . 1 40 40 ALA CB C 13 18.767 0.015 . 1 . . . . . 1468 ALA CB . 28048 1 225 . 1 . 1 40 40 ALA N N 15 119.966 0.024 . 1 . . . . . 1468 ALA N . 28048 1 226 . 1 . 1 41 41 VAL H H 1 7.843 0.006 . 1 . . . . . 1469 VAL H . 28048 1 227 . 1 . 1 41 41 VAL CA C 13 66.163 0.000 . 1 . . . . . 1469 VAL CA . 28048 1 228 . 1 . 1 41 41 VAL CB C 13 31.707 0.000 . 1 . . . . . 1469 VAL CB . 28048 1 229 . 1 . 1 41 41 VAL N N 15 118.016 0.012 . 1 . . . . . 1469 VAL N . 28048 1 230 . 1 . 1 44 44 TYR H H 1 7.055 0.007 . 1 . . . . . 1472 TYR H . 28048 1 231 . 1 . 1 44 44 TYR CA C 13 61.087 0.004 . 1 . . . . . 1472 TYR CA . 28048 1 232 . 1 . 1 44 44 TYR CB C 13 38.337 0.091 . 1 . . . . . 1472 TYR CB . 28048 1 233 . 1 . 1 44 44 TYR N N 15 120.717 0.026 . 1 . . . . . 1472 TYR N . 28048 1 234 . 1 . 1 45 45 LYS H H 1 7.350 0.007 . 1 . . . . . 1473 LYS H . 28048 1 235 . 1 . 1 45 45 LYS CA C 13 53.341 0.070 . 1 . . . . . 1473 LYS CA . 28048 1 236 . 1 . 1 45 45 LYS CB C 13 35.667 0.006 . 1 . . . . . 1473 LYS CB . 28048 1 237 . 1 . 1 45 45 LYS N N 15 126.537 0.020 . 1 . . . . . 1473 LYS N . 28048 1 238 . 1 . 1 46 46 ASP H H 1 8.241 0.020 . 1 . . . . . 1474 ASP H . 28048 1 239 . 1 . 1 46 46 ASP CA C 13 54.370 0.000 . 1 . . . . . 1474 ASP CA . 28048 1 240 . 1 . 1 46 46 ASP CB C 13 42.962 0.000 . 1 . . . . . 1474 ASP CB . 28048 1 241 . 1 . 1 46 46 ASP N N 15 121.301 0.123 . 1 . . . . . 1474 ASP N . 28048 1 242 . 1 . 1 48 48 SER H H 1 8.401 0.015 . 1 . . . . . 1476 SER H . 28048 1 243 . 1 . 1 48 48 SER CA C 13 60.566 0.040 . 1 . . . . . 1476 SER CA . 28048 1 244 . 1 . 1 48 48 SER CB C 13 63.242 0.009 . 1 . . . . . 1476 SER CB . 28048 1 245 . 1 . 1 48 48 SER N N 15 116.093 0.206 . 1 . . . . . 1476 SER N . 28048 1 246 . 1 . 1 49 49 SER H H 1 8.373 0.008 . 1 . . . . . 1477 SER H . 28048 1 247 . 1 . 1 49 49 SER CA C 13 58.777 0.014 . 1 . . . . . 1477 SER CA . 28048 1 248 . 1 . 1 49 49 SER CB C 13 66.001 0.070 . 1 . . . . . 1477 SER CB . 28048 1 249 . 1 . 1 49 49 SER N N 15 114.378 0.015 . 1 . . . . . 1477 SER N . 28048 1 250 . 1 . 1 50 50 GLY H H 1 8.188 0.001 . 1 . . . . . 1478 GLY H . 28048 1 251 . 1 . 1 50 50 GLY CA C 13 45.875 0.012 . 1 . . . . . 1478 GLY CA . 28048 1 252 . 1 . 1 50 50 GLY N N 15 112.593 0.012 . 1 . . . . . 1478 GLY N . 28048 1 253 . 1 . 1 51 51 ARG H H 1 7.699 0.002 . 1 . . . . . 1479 ARG H . 28048 1 254 . 1 . 1 51 51 ARG CA C 13 57.140 0.000 . 1 . . . . . 1479 ARG CA . 28048 1 255 . 1 . 1 51 51 ARG CB C 13 32.086 0.000 . 1 . . . . . 1479 ARG CB . 28048 1 256 . 1 . 1 51 51 ARG N N 15 120.170 0.016 . 1 . . . . . 1479 ARG N . 28048 1 257 . 1 . 1 58 58 ILE H H 1 7.522 0.004 . 1 . . . . . 1486 ILE H . 28048 1 258 . 1 . 1 58 58 ILE CA C 13 64.964 0.012 . 1 . . . . . 1486 ILE CA . 28048 1 259 . 1 . 1 58 58 ILE CB C 13 36.647 0.084 . 1 . . . . . 1486 ILE CB . 28048 1 260 . 1 . 1 58 58 ILE N N 15 121.862 0.000 . 1 . . . . . 1486 ILE N . 28048 1 261 . 1 . 1 59 59 GLN H H 1 8.170 0.009 . 1 . . . . . 1487 GLN H . 28048 1 262 . 1 . 1 59 59 GLN CA C 13 53.723 0.000 . 1 . . . . . 1487 GLN CA . 28048 1 263 . 1 . 1 59 59 GLN CB C 13 32.005 0.000 . 1 . . . . . 1487 GLN CB . 28048 1 264 . 1 . 1 59 59 GLN N N 15 116.046 0.010 . 1 . . . . . 1487 GLN N . 28048 1 265 . 1 . 1 62 62 SER H H 1 8.919 0.003 . 1 . . . . . 1490 SER H . 28048 1 266 . 1 . 1 62 62 SER HA H 1 4.387 0.001 . 1 . . . . . 1490 SER HA . 28048 1 267 . 1 . 1 62 62 SER HB2 H 1 3.809 0.001 . 1 . . . . . 1490 SER HB2 . 28048 1 268 . 1 . 1 62 62 SER CA C 13 57.825 0.000 . 1 . . . . . 1490 SER CA . 28048 1 269 . 1 . 1 62 62 SER CB C 13 64.799 0.001 . 1 . . . . . 1490 SER CB . 28048 1 270 . 1 . 1 62 62 SER N N 15 118.446 0.023 . 1 . . . . . 1490 SER N . 28048 1 271 . 1 . 1 64 64 LYS H H 1 7.623 0.001 . 1 . . . . . 1492 LYS H . 28048 1 272 . 1 . 1 64 64 LYS HA H 1 3.968 0.000 . 1 . . . . . 1492 LYS HA . 28048 1 273 . 1 . 1 64 64 LYS HG2 H 1 1.323 0.000 . 1 . . . . . 1492 LYS HG2 . 28048 1 274 . 1 . 1 64 64 LYS HD2 H 1 1.605 0.000 . 1 . . . . . 1492 LYS HD2 . 28048 1 275 . 1 . 1 64 64 LYS HE2 H 1 2.847 0.000 . 1 . . . . . 1492 LYS HE2 . 28048 1 276 . 1 . 1 64 64 LYS CA C 13 57.977 0.040 . 1 . . . . . 1492 LYS CA . 28048 1 277 . 1 . 1 64 64 LYS CB C 13 32.737 0.005 . 1 . . . . . 1492 LYS CB . 28048 1 278 . 1 . 1 64 64 LYS CG C 13 25.013 0.000 . 1 . . . . . 1492 LYS CG . 28048 1 279 . 1 . 1 64 64 LYS CD C 13 28.776 0.000 . 1 . . . . . 1492 LYS CD . 28048 1 280 . 1 . 1 64 64 LYS CE C 13 41.877 0.000 . 1 . . . . . 1492 LYS CE . 28048 1 281 . 1 . 1 64 64 LYS N N 15 115.314 0.007 . 1 . . . . . 1492 LYS N . 28048 1 282 . 1 . 1 65 65 GLU H H 1 7.340 0.018 . 1 . . . . . 1493 GLU H . 28048 1 283 . 1 . 1 65 65 GLU CA C 13 58.753 1.008 . 1 . . . . . 1493 GLU CA . 28048 1 284 . 1 . 1 65 65 GLU CB C 13 30.923 0.067 . 1 . . . . . 1493 GLU CB . 28048 1 285 . 1 . 1 65 65 GLU N N 15 118.074 0.096 . 1 . . . . . 1493 GLU N . 28048 1 286 . 1 . 1 66 66 LEU H H 1 7.901 0.011 . 1 . . . . . 1494 LEU H . 28048 1 287 . 1 . 1 66 66 LEU CA C 13 52.102 0.000 . 1 . . . . . 1494 LEU CA . 28048 1 288 . 1 . 1 66 66 LEU CB C 13 43.885 0.000 . 1 . . . . . 1494 LEU CB . 28048 1 289 . 1 . 1 66 66 LEU N N 15 120.590 0.161 . 1 . . . . . 1494 LEU N . 28048 1 290 . 1 . 1 68 68 GLU H H 1 10.085 0.001 . 1 . . . . . 1496 GLU H . 28048 1 291 . 1 . 1 68 68 GLU CA C 13 59.536 0.025 . 1 . . . . . 1496 GLU CA . 28048 1 292 . 1 . 1 68 68 GLU CB C 13 28.764 0.008 . 1 . . . . . 1496 GLU CB . 28048 1 293 . 1 . 1 68 68 GLU N N 15 118.336 0.006 . 1 . . . . . 1496 GLU N . 28048 1 294 . 1 . 1 69 69 TYR H H 1 7.674 0.007 . 1 . . . . . 1497 TYR H . 28048 1 295 . 1 . 1 69 69 TYR CA C 13 61.828 0.003 . 1 . . . . . 1497 TYR CA . 28048 1 296 . 1 . 1 69 69 TYR CB C 13 38.816 0.052 . 1 . . . . . 1497 TYR CB . 28048 1 297 . 1 . 1 69 69 TYR N N 15 120.564 0.037 . 1 . . . . . 1497 TYR N . 28048 1 298 . 1 . 1 70 70 TYR H H 1 6.897 0.011 . 1 . . . . . 1498 TYR H . 28048 1 299 . 1 . 1 70 70 TYR HA H 1 4.145 0.000 . 1 . . . . . 1498 TYR HA . 28048 1 300 . 1 . 1 70 70 TYR HB2 H 1 2.270 0.000 . 1 . . . . . 1498 TYR HB2 . 28048 1 301 . 1 . 1 70 70 TYR CA C 13 59.956 0.020 . 1 . . . . . 1498 TYR CA . 28048 1 302 . 1 . 1 70 70 TYR CB C 13 38.275 0.071 . 1 . . . . . 1498 TYR CB . 28048 1 303 . 1 . 1 70 70 TYR N N 15 114.352 0.128 . 1 . . . . . 1498 TYR N . 28048 1 304 . 1 . 1 71 71 GLU H H 1 7.348 0.001 . 1 . . . . . 1499 GLU H . 28048 1 305 . 1 . 1 71 71 GLU HA H 1 4.143 0.000 . 1 . . . . . 1499 GLU HA . 28048 1 306 . 1 . 1 71 71 GLU HB2 H 1 1.984 0.001 . 1 . . . . . 1499 GLU HB2 . 28048 1 307 . 1 . 1 71 71 GLU HG2 H 1 2.250 0.000 . 1 . . . . . 1499 GLU HG2 . 28048 1 308 . 1 . 1 71 71 GLU CA C 13 57.630 0.056 . 1 . . . . . 1499 GLU CA . 28048 1 309 . 1 . 1 71 71 GLU CB C 13 30.051 0.206 . 1 . . . . . 1499 GLU CB . 28048 1 310 . 1 . 1 71 71 GLU CG C 13 36.208 0.000 . 1 . . . . . 1499 GLU CG . 28048 1 311 . 1 . 1 71 71 GLU N N 15 117.917 0.038 . 1 . . . . . 1499 GLU N . 28048 1 312 . 1 . 1 72 72 LEU H H 1 6.904 0.009 . 1 . . . . . 1500 LEU H . 28048 1 313 . 1 . 1 72 72 LEU HA H 1 4.216 0.002 . 1 . . . . . 1500 LEU HA . 28048 1 314 . 1 . 1 72 72 LEU HB2 H 1 1.554 0.007 . 1 . . . . . 1500 LEU HB2 . 28048 1 315 . 1 . 1 72 72 LEU HD11 H 1 0.869 0.002 . 1 . . . . . 1500 LEU HD11 . 28048 1 316 . 1 . 1 72 72 LEU HD12 H 1 0.869 0.002 . 1 . . . . . 1500 LEU HD12 . 28048 1 317 . 1 . 1 72 72 LEU HD13 H 1 0.869 0.002 . 1 . . . . . 1500 LEU HD13 . 28048 1 318 . 1 . 1 72 72 LEU CA C 13 56.294 0.049 . 1 . . . . . 1500 LEU CA . 28048 1 319 . 1 . 1 72 72 LEU CB C 13 44.415 0.045 . 1 . . . . . 1500 LEU CB . 28048 1 320 . 1 . 1 72 72 LEU CG C 13 27.346 0.000 . 1 . . . . . 1500 LEU CG . 28048 1 321 . 1 . 1 72 72 LEU CD1 C 13 24.653 0.003 . 1 . . . . . 1500 LEU CD1 . 28048 1 322 . 1 . 1 72 72 LEU N N 15 118.227 0.006 . 1 . . . . . 1500 LEU N . 28048 1 323 . 1 . 1 73 73 ILE H H 1 7.969 0.005 . 1 . . . . . 1501 ILE H . 28048 1 324 . 1 . 1 73 73 ILE HA H 1 3.832 0.005 . 1 . . . . . 1501 ILE HA . 28048 1 325 . 1 . 1 73 73 ILE HB H 1 1.332 0.005 . 1 . . . . . 1501 ILE HB . 28048 1 326 . 1 . 1 73 73 ILE HG21 H 1 0.316 0.000 . 1 . . . . . 1501 ILE HG21 . 28048 1 327 . 1 . 1 73 73 ILE HG22 H 1 0.316 0.000 . 1 . . . . . 1501 ILE HG22 . 28048 1 328 . 1 . 1 73 73 ILE HG23 H 1 0.316 0.000 . 1 . . . . . 1501 ILE HG23 . 28048 1 329 . 1 . 1 73 73 ILE HD11 H 1 0.446 0.002 . 1 . . . . . 1501 ILE HD11 . 28048 1 330 . 1 . 1 73 73 ILE HD12 H 1 0.446 0.002 . 1 . . . . . 1501 ILE HD12 . 28048 1 331 . 1 . 1 73 73 ILE HD13 H 1 0.446 0.002 . 1 . . . . . 1501 ILE HD13 . 28048 1 332 . 1 . 1 73 73 ILE CA C 13 57.302 0.082 . 1 . . . . . 1501 ILE CA . 28048 1 333 . 1 . 1 73 73 ILE CB C 13 34.161 0.024 . 1 . . . . . 1501 ILE CB . 28048 1 334 . 1 . 1 73 73 ILE CG2 C 13 16.498 0.002 . 1 . . . . . 1501 ILE CG2 . 28048 1 335 . 1 . 1 73 73 ILE CD1 C 13 9.244 0.000 . 1 . . . . . 1501 ILE CD1 . 28048 1 336 . 1 . 1 73 73 ILE N N 15 120.251 0.015 . 1 . . . . . 1501 ILE N . 28048 1 337 . 1 . 1 74 74 ARG H H 1 8.038 0.016 . 1 . . . . . 1502 ARG H . 28048 1 338 . 1 . 1 74 74 ARG HA H 1 4.078 0.012 . 1 . . . . . 1502 ARG HA . 28048 1 339 . 1 . 1 74 74 ARG HB2 H 1 1.846 0.001 . 1 . . . . . 1502 ARG HB2 . 28048 1 340 . 1 . 1 74 74 ARG HG2 H 1 1.634 0.000 . 1 . . . . . 1502 ARG HG2 . 28048 1 341 . 1 . 1 74 74 ARG HD2 H 1 3.106 0.002 . 1 . . . . . 1502 ARG HD2 . 28048 1 342 . 1 . 1 74 74 ARG CA C 13 57.324 0.120 . 1 . . . . . 1502 ARG CA . 28048 1 343 . 1 . 1 74 74 ARG CB C 13 30.424 0.018 . 1 . . . . . 1502 ARG CB . 28048 1 344 . 1 . 1 74 74 ARG CG C 13 26.882 0.000 . 1 . . . . . 1502 ARG CG . 28048 1 345 . 1 . 1 74 74 ARG CD C 13 42.512 0.000 . 1 . . . . . 1502 ARG CD . 28048 1 346 . 1 . 1 74 74 ARG N N 15 124.959 0.092 . 1 . . . . . 1502 ARG N . 28048 1 347 . 1 . 1 75 75 LYS H H 1 8.219 0.013 . 1 . . . . . 1503 LYS H . 28048 1 348 . 1 . 1 75 75 LYS CA C 13 53.157 0.000 . 1 . . . . . 1503 LYS CA . 28048 1 349 . 1 . 1 75 75 LYS CB C 13 30.661 0.000 . 1 . . . . . 1503 LYS CB . 28048 1 350 . 1 . 1 75 75 LYS N N 15 118.639 0.115 . 1 . . . . . 1503 LYS N . 28048 1 351 . 1 . 1 77 77 VAL H H 1 8.848 0.015 . 1 . . . . . 1505 VAL H . 28048 1 352 . 1 . 1 77 77 VAL CA C 13 60.863 1.903 . 1 . . . . . 1505 VAL CA . 28048 1 353 . 1 . 1 77 77 VAL CB C 13 34.971 0.018 . 1 . . . . . 1505 VAL CB . 28048 1 354 . 1 . 1 77 77 VAL N N 15 121.839 0.174 . 1 . . . . . 1505 VAL N . 28048 1 355 . 1 . 1 78 78 ASP H H 1 6.926 0.002 . 1 . . . . . 1506 ASP H . 28048 1 356 . 1 . 1 78 78 ASP HA H 1 4.526 0.002 . 1 . . . . . 1506 ASP HA . 28048 1 357 . 1 . 1 78 78 ASP HB2 H 1 2.514 0.001 . 1 . . . . . 1506 ASP HB2 . 28048 1 358 . 1 . 1 78 78 ASP CA C 13 52.273 0.000 . 1 . . . . . 1506 ASP CA . 28048 1 359 . 1 . 1 78 78 ASP CB C 13 42.637 0.000 . 1 . . . . . 1506 ASP CB . 28048 1 360 . 1 . 1 78 78 ASP N N 15 123.077 0.011 . 1 . . . . . 1506 ASP N . 28048 1 361 . 1 . 1 80 80 LYS H H 1 8.592 0.008 . 1 . . . . . 1508 LYS H . 28048 1 362 . 1 . 1 80 80 LYS CA C 13 61.142 0.033 . 1 . . . . . 1508 LYS CA . 28048 1 363 . 1 . 1 80 80 LYS CB C 13 31.816 0.041 . 1 . . . . . 1508 LYS CB . 28048 1 364 . 1 . 1 80 80 LYS N N 15 122.413 0.146 . 1 . . . . . 1508 LYS N . 28048 1 365 . 1 . 1 81 81 LYS H H 1 8.903 0.001 . 1 . . . . . 1509 LYS H . 28048 1 366 . 1 . 1 81 81 LYS HA H 1 3.969 0.002 . 1 . . . . . 1509 LYS HA . 28048 1 367 . 1 . 1 81 81 LYS HB2 H 1 1.859 0.002 . 1 . . . . . 1509 LYS HB2 . 28048 1 368 . 1 . 1 81 81 LYS HG2 H 1 1.317 0.000 . 1 . . . . . 1509 LYS HG2 . 28048 1 369 . 1 . 1 81 81 LYS HD2 H 1 1.602 0.000 . 1 . . . . . 1509 LYS HD2 . 28048 1 370 . 1 . 1 81 81 LYS HE2 H 1 2.885 0.000 . 1 . . . . . 1509 LYS HE2 . 28048 1 371 . 1 . 1 81 81 LYS CA C 13 58.276 0.006 . 1 . . . . . 1509 LYS CA . 28048 1 372 . 1 . 1 81 81 LYS CB C 13 31.668 0.008 . 1 . . . . . 1509 LYS CB . 28048 1 373 . 1 . 1 81 81 LYS CG C 13 24.470 0.000 . 1 . . . . . 1509 LYS CG . 28048 1 374 . 1 . 1 81 81 LYS CD C 13 28.960 0.000 . 1 . . . . . 1509 LYS CD . 28048 1 375 . 1 . 1 81 81 LYS CE C 13 41.670 0.000 . 1 . . . . . 1509 LYS CE . 28048 1 376 . 1 . 1 81 81 LYS N N 15 122.187 0.011 . 1 . . . . . 1509 LYS N . 28048 1 377 . 1 . 1 83 83 LYS H H 1 8.592 0.005 . 1 . . . . . 1511 LYS H . 28048 1 378 . 1 . 1 83 83 LYS CA C 13 61.344 0.002 . 1 . . . . . 1511 LYS CA . 28048 1 379 . 1 . 1 83 83 LYS CB C 13 31.958 0.045 . 1 . . . . . 1511 LYS CB . 28048 1 380 . 1 . 1 83 83 LYS N N 15 118.176 0.010 . 1 . . . . . 1511 LYS N . 28048 1 381 . 1 . 1 84 84 GLU H H 1 7.909 0.043 . 1 . . . . . 1512 GLU H . 28048 1 382 . 1 . 1 84 84 GLU CA C 13 59.674 0.013 . 1 . . . . . 1512 GLU CA . 28048 1 383 . 1 . 1 84 84 GLU CB C 13 29.658 0.021 . 1 . . . . . 1512 GLU CB . 28048 1 384 . 1 . 1 84 84 GLU N N 15 122.177 0.033 . 1 . . . . . 1512 GLU N . 28048 1 385 . 1 . 1 85 85 ARG H H 1 8.410 0.004 . 1 . . . . . 1513 ARG H . 28048 1 386 . 1 . 1 85 85 ARG CA C 13 60.043 0.002 . 1 . . . . . 1513 ARG CA . 28048 1 387 . 1 . 1 85 85 ARG CB C 13 29.667 0.050 . 1 . . . . . 1513 ARG CB . 28048 1 388 . 1 . 1 85 85 ARG N N 15 120.907 0.139 . 1 . . . . . 1513 ARG N . 28048 1 389 . 1 . 1 86 86 ILE H H 1 8.080 0.004 . 1 . . . . . 1514 ILE H . 28048 1 390 . 1 . 1 86 86 ILE CA C 13 66.168 0.044 . 1 . . . . . 1514 ILE CA . 28048 1 391 . 1 . 1 86 86 ILE CB C 13 38.896 0.005 . 1 . . . . . 1514 ILE CB . 28048 1 392 . 1 . 1 86 86 ILE N N 15 119.369 0.017 . 1 . . . . . 1514 ILE N . 28048 1 393 . 1 . 1 87 87 ARG H H 1 7.838 0.018 . 1 . . . . . 1515 ARG H . 28048 1 394 . 1 . 1 87 87 ARG HA H 1 3.732 0.002 . 1 . . . . . 1515 ARG HA . 28048 1 395 . 1 . 1 87 87 ARG HB2 H 1 1.806 0.000 . 1 . . . . . 1515 ARG HB2 . 28048 1 396 . 1 . 1 87 87 ARG HG2 H 1 1.547 0.000 . 1 . . . . . 1515 ARG HG2 . 28048 1 397 . 1 . 1 87 87 ARG HD2 H 1 3.136 0.001 . 1 . . . . . 1515 ARG HD2 . 28048 1 398 . 1 . 1 87 87 ARG CA C 13 59.197 0.025 . 1 . . . . . 1515 ARG CA . 28048 1 399 . 1 . 1 87 87 ARG CB C 13 30.237 0.038 . 1 . . . . . 1515 ARG CB . 28048 1 400 . 1 . 1 87 87 ARG CG C 13 27.456 0.000 . 1 . . . . . 1515 ARG CG . 28048 1 401 . 1 . 1 87 87 ARG CD C 13 43.499 0.000 . 1 . . . . . 1515 ARG CD . 28048 1 402 . 1 . 1 87 87 ARG N N 15 120.972 0.043 . 1 . . . . . 1515 ARG N . 28048 1 403 . 1 . 1 88 88 ASN H H 1 7.936 0.007 . 1 . . . . . 1516 ASN H . 28048 1 404 . 1 . 1 88 88 ASN CA C 13 52.505 0.068 . 1 . . . . . 1516 ASN CA . 28048 1 405 . 1 . 1 88 88 ASN CB C 13 38.243 0.049 . 1 . . . . . 1516 ASN CB . 28048 1 406 . 1 . 1 88 88 ASN N N 15 113.174 0.026 . 1 . . . . . 1516 ASN N . 28048 1 407 . 1 . 1 89 89 HIS H H 1 7.354 0.006 . 1 . . . . . 1517 HIS H . 28048 1 408 . 1 . 1 89 89 HIS CA C 13 56.881 3.096 . 1 . . . . . 1517 HIS CA . 28048 1 409 . 1 . 1 89 89 HIS CB C 13 27.885 0.024 . 1 . . . . . 1517 HIS CB . 28048 1 410 . 1 . 1 89 89 HIS N N 15 112.984 0.010 . 1 . . . . . 1517 HIS N . 28048 1 411 . 1 . 1 90 90 LYS H H 1 8.309 0.009 . 1 . . . . . 1518 LYS H . 28048 1 412 . 1 . 1 90 90 LYS CA C 13 59.003 1.402 . 1 . . . . . 1518 LYS CA . 28048 1 413 . 1 . 1 90 90 LYS CB C 13 32.221 0.126 . 1 . . . . . 1518 LYS CB . 28048 1 414 . 1 . 1 90 90 LYS N N 15 117.045 0.094 . 1 . . . . . 1518 LYS N . 28048 1 415 . 1 . 1 91 91 TYR H H 1 6.495 0.002 . 1 . . . . . 1519 TYR H . 28048 1 416 . 1 . 1 91 91 TYR CA C 13 54.768 0.006 . 1 . . . . . 1519 TYR CA . 28048 1 417 . 1 . 1 91 91 TYR CB C 13 38.934 0.108 . 1 . . . . . 1519 TYR CB . 28048 1 418 . 1 . 1 91 91 TYR N N 15 115.283 0.009 . 1 . . . . . 1519 TYR N . 28048 1 419 . 1 . 1 92 92 ARG H H 1 9.941 0.007 . 1 . . . . . 1520 ARG H . 28048 1 420 . 1 . 1 92 92 ARG HA H 1 4.287 0.000 . 1 . . . . . 1520 ARG HA . 28048 1 421 . 1 . 1 92 92 ARG HB2 H 1 1.788 0.000 . 1 . . . . . 1520 ARG HB2 . 28048 1 422 . 1 . 1 92 92 ARG HG2 H 1 1.586 0.000 . 1 . . . . . 1520 ARG HG2 . 28048 1 423 . 1 . 1 92 92 ARG HD2 H 1 3.126 0.000 . 1 . . . . . 1520 ARG HD2 . 28048 1 424 . 1 . 1 92 92 ARG CA C 13 53.148 0.000 . 1 . . . . . 1520 ARG CA . 28048 1 425 . 1 . 1 92 92 ARG CB C 13 28.735 0.000 . 1 . . . . . 1520 ARG CB . 28048 1 426 . 1 . 1 92 92 ARG CG C 13 27.282 0.000 . 1 . . . . . 1520 ARG CG . 28048 1 427 . 1 . 1 92 92 ARG CD C 13 42.962 0.000 . 1 . . . . . 1520 ARG CD . 28048 1 428 . 1 . 1 92 92 ARG N N 15 121.136 0.010 . 1 . . . . . 1520 ARG N . 28048 1 429 . 1 . 1 93 93 SER H H 1 8.034 0.294 . 1 . . . . . 1521 SER H . 28048 1 430 . 1 . 1 93 93 SER CA C 13 56.630 0.000 . 1 . . . . . 1521 SER CA . 28048 1 431 . 1 . 1 93 93 SER CB C 13 65.956 0.000 . 1 . . . . . 1521 SER CB . 28048 1 432 . 1 . 1 93 93 SER N N 15 110.357 0.117 . 1 . . . . . 1521 SER N . 28048 1 433 . 1 . 1 95 95 ASN H H 1 7.972 0.008 . 1 . . . . . 1523 ASN H . 28048 1 434 . 1 . 1 95 95 ASN CA C 13 56.078 0.104 . 1 . . . . . 1523 ASN CA . 28048 1 435 . 1 . 1 95 95 ASN CB C 13 39.744 2.492 . 1 . . . . . 1523 ASN CB . 28048 1 436 . 1 . 1 95 95 ASN N N 15 112.770 0.199 . 1 . . . . . 1523 ASN N . 28048 1 437 . 1 . 1 96 96 ASP H H 1 7.728 0.001 . 1 . . . . . 1524 ASP H . 28048 1 438 . 1 . 1 96 96 ASP CA C 13 57.606 0.064 . 1 . . . . . 1524 ASP CA . 28048 1 439 . 1 . 1 96 96 ASP CB C 13 40.797 0.038 . 1 . . . . . 1524 ASP CB . 28048 1 440 . 1 . 1 96 96 ASP N N 15 121.585 0.008 . 1 . . . . . 1524 ASP N . 28048 1 441 . 1 . 1 97 97 LEU H H 1 6.609 0.002 . 1 . . . . . 1525 LEU H . 28048 1 442 . 1 . 1 97 97 LEU CA C 13 57.406 0.062 . 1 . . . . . 1525 LEU CA . 28048 1 443 . 1 . 1 97 97 LEU CB C 13 41.315 0.092 . 1 . . . . . 1525 LEU CB . 28048 1 444 . 1 . 1 97 97 LEU N N 15 120.868 0.012 . 1 . . . . . 1525 LEU N . 28048 1 445 . 1 . 1 98 98 GLU H H 1 8.426 0.004 . 1 . . . . . 1526 GLU H . 28048 1 446 . 1 . 1 98 98 GLU CA C 13 59.696 0.061 . 1 . . . . . 1526 GLU CA . 28048 1 447 . 1 . 1 98 98 GLU CB C 13 29.846 0.002 . 1 . . . . . 1526 GLU CB . 28048 1 448 . 1 . 1 98 98 GLU N N 15 118.688 0.021 . 1 . . . . . 1526 GLU N . 28048 1 449 . 1 . 1 99 99 LYS H H 1 7.770 0.001 . 1 . . . . . 1527 LYS H . 28048 1 450 . 1 . 1 99 99 LYS CA C 13 59.959 0.057 . 1 . . . . . 1527 LYS CA . 28048 1 451 . 1 . 1 99 99 LYS CB C 13 32.252 0.018 . 1 . . . . . 1527 LYS CB . 28048 1 452 . 1 . 1 99 99 LYS CG C 13 25.355 0.000 . 1 . . . . . 1527 LYS CG . 28048 1 453 . 1 . 1 99 99 LYS CD C 13 29.446 0.000 . 1 . . . . . 1527 LYS CD . 28048 1 454 . 1 . 1 99 99 LYS CE C 13 41.901 0.000 . 1 . . . . . 1527 LYS CE . 28048 1 455 . 1 . 1 99 99 LYS N N 15 116.879 0.009 . 1 . . . . . 1527 LYS N . 28048 1 456 . 1 . 1 100 100 ASP H H 1 6.868 0.003 . 1 . . . . . 1528 ASP H . 28048 1 457 . 1 . 1 100 100 ASP CA C 13 56.316 0.004 . 1 . . . . . 1528 ASP CA . 28048 1 458 . 1 . 1 100 100 ASP CB C 13 40.395 0.049 . 1 . . . . . 1528 ASP CB . 28048 1 459 . 1 . 1 100 100 ASP N N 15 119.563 0.016 . 1 . . . . . 1528 ASP N . 28048 1 460 . 1 . 1 101 101 VAL H H 1 7.642 0.002 . 1 . . . . . 1529 VAL H . 28048 1 461 . 1 . 1 101 101 VAL CA C 13 66.753 0.033 . 1 . . . . . 1529 VAL CA . 28048 1 462 . 1 . 1 101 101 VAL CB C 13 30.849 0.012 . 1 . . . . . 1529 VAL CB . 28048 1 463 . 1 . 1 101 101 VAL N N 15 120.645 0.038 . 1 . . . . . 1529 VAL N . 28048 1 464 . 1 . 1 102 102 MET H H 1 8.744 0.001 . 1 . . . . . 1530 MET H . 28048 1 465 . 1 . 1 102 102 MET CA C 13 57.515 0.008 . 1 . . . . . 1530 MET CA . 28048 1 466 . 1 . 1 102 102 MET CB C 13 30.616 0.018 . 1 . . . . . 1530 MET CB . 28048 1 467 . 1 . 1 102 102 MET N N 15 117.544 0.011 . 1 . . . . . 1530 MET N . 28048 1 468 . 1 . 1 103 103 LEU H H 1 7.727 0.002 . 1 . . . . . 1531 LEU H . 28048 1 469 . 1 . 1 103 103 LEU CA C 13 57.981 0.006 . 1 . . . . . 1531 LEU CA . 28048 1 470 . 1 . 1 103 103 LEU CB C 13 42.026 0.027 . 1 . . . . . 1531 LEU CB . 28048 1 471 . 1 . 1 103 103 LEU N N 15 123.239 0.010 . 1 . . . . . 1531 LEU N . 28048 1 472 . 1 . 1 104 104 LEU H H 1 7.831 0.016 . 1 . . . . . 1532 LEU H . 28048 1 473 . 1 . 1 104 104 LEU HA H 1 4.009 0.000 . 1 . . . . . 1532 LEU HA . 28048 1 474 . 1 . 1 104 104 LEU HB2 H 1 1.582 0.001 . 1 . . . . . 1532 LEU HB2 . 28048 1 475 . 1 . 1 104 104 LEU HD11 H 1 0.834 0.001 . 1 . . . . . 1532 LEU HD11 . 28048 1 476 . 1 . 1 104 104 LEU HD12 H 1 0.834 0.001 . 1 . . . . . 1532 LEU HD12 . 28048 1 477 . 1 . 1 104 104 LEU HD13 H 1 0.834 0.001 . 1 . . . . . 1532 LEU HD13 . 28048 1 478 . 1 . 1 104 104 LEU CA C 13 60.257 0.020 . 1 . . . . . 1532 LEU CA . 28048 1 479 . 1 . 1 104 104 LEU CB C 13 42.086 0.058 . 1 . . . . . 1532 LEU CB . 28048 1 480 . 1 . 1 104 104 LEU CG C 13 28.104 0.000 . 1 . . . . . 1532 LEU CG . 28048 1 481 . 1 . 1 104 104 LEU CD1 C 13 25.369 0.000 . 1 . . . . . 1532 LEU CD1 . 28048 1 482 . 1 . 1 104 104 LEU N N 15 121.572 0.118 . 1 . . . . . 1532 LEU N . 28048 1 483 . 1 . 1 105 105 CYS H H 1 7.714 0.012 . 1 . . . . . 1533 CYS H . 28048 1 484 . 1 . 1 105 105 CYS CA C 13 64.433 0.002 . 1 . . . . . 1533 CYS CA . 28048 1 485 . 1 . 1 105 105 CYS CB C 13 26.828 0.012 . 1 . . . . . 1533 CYS CB . 28048 1 486 . 1 . 1 105 105 CYS N N 15 119.350 0.000 . 1 . . . . . 1533 CYS N . 28048 1 487 . 1 . 1 106 106 GLN H H 1 8.887 0.001 . 1 . . . . . 1534 GLN H . 28048 1 488 . 1 . 1 106 106 GLN CA C 13 59.056 0.020 . 1 . . . . . 1534 GLN CA . 28048 1 489 . 1 . 1 106 106 GLN CB C 13 28.349 0.011 . 1 . . . . . 1534 GLN CB . 28048 1 490 . 1 . 1 106 106 GLN N N 15 121.798 0.018 . 1 . . . . . 1534 GLN N . 28048 1 491 . 1 . 1 107 107 ASN H H 1 9.354 0.003 . 1 . . . . . 1535 ASN H . 28048 1 492 . 1 . 1 107 107 ASN CA C 13 55.469 0.001 . 1 . . . . . 1535 ASN CA . 28048 1 493 . 1 . 1 107 107 ASN CB C 13 37.441 0.002 . 1 . . . . . 1535 ASN CB . 28048 1 494 . 1 . 1 107 107 ASN N N 15 120.619 0.012 . 1 . . . . . 1535 ASN N . 28048 1 495 . 1 . 1 108 108 ALA H H 1 7.436 0.002 . 1 . . . . . 1536 ALA H . 28048 1 496 . 1 . 1 108 108 ALA CA C 13 55.476 0.027 . 1 . . . . . 1536 ALA CA . 28048 1 497 . 1 . 1 108 108 ALA CB C 13 18.898 0.013 . 1 . . . . . 1536 ALA CB . 28048 1 498 . 1 . 1 108 108 ALA N N 15 122.811 0.014 . 1 . . . . . 1536 ALA N . 28048 1 499 . 1 . 1 109 109 GLN H H 1 7.717 0.004 . 1 . . . . . 1537 GLN H . 28048 1 500 . 1 . 1 109 109 GLN CA C 13 57.227 0.006 . 1 . . . . . 1537 GLN CA . 28048 1 501 . 1 . 1 109 109 GLN CB C 13 27.797 0.004 . 1 . . . . . 1537 GLN CB . 28048 1 502 . 1 . 1 109 109 GLN N N 15 117.524 0.019 . 1 . . . . . 1537 GLN N . 28048 1 503 . 1 . 1 110 110 THR H H 1 8.060 0.005 . 1 . . . . . 1538 THR H . 28048 1 504 . 1 . 1 110 110 THR CA C 13 65.067 0.013 . 1 . . . . . 1538 THR CA . 28048 1 505 . 1 . 1 110 110 THR CB C 13 69.084 0.014 . 1 . . . . . 1538 THR CB . 28048 1 506 . 1 . 1 110 110 THR N N 15 115.961 0.018 . 1 . . . . . 1538 THR N . 28048 1 507 . 1 . 1 111 111 PHE H H 1 8.096 0.002 . 1 . . . . . 1539 PHE H . 28048 1 508 . 1 . 1 111 111 PHE CA C 13 60.861 0.013 . 1 . . . . . 1539 PHE CA . 28048 1 509 . 1 . 1 111 111 PHE CB C 13 41.296 0.019 . 1 . . . . . 1539 PHE CB . 28048 1 510 . 1 . 1 111 111 PHE N N 15 118.320 0.009 . 1 . . . . . 1539 PHE N . 28048 1 511 . 1 . 1 112 112 ASN H H 1 7.543 0.001 . 1 . . . . . 1540 ASN H . 28048 1 512 . 1 . 1 112 112 ASN CA C 13 52.575 0.003 . 1 . . . . . 1540 ASN CA . 28048 1 513 . 1 . 1 112 112 ASN CB C 13 41.187 0.031 . 1 . . . . . 1540 ASN CB . 28048 1 514 . 1 . 1 112 112 ASN N N 15 113.465 0.008 . 1 . . . . . 1540 ASN N . 28048 1 515 . 1 . 1 113 113 LEU H H 1 8.385 0.002 . 1 . . . . . 1541 LEU H . 28048 1 516 . 1 . 1 113 113 LEU HA H 1 4.080 0.006 . 1 . . . . . 1541 LEU HA . 28048 1 517 . 1 . 1 113 113 LEU HB2 H 1 1.603 0.001 . 2 . . . . . 1541 LEU HB2 . 28048 1 518 . 1 . 1 113 113 LEU HB3 H 1 1.554 0.002 . 2 . . . . . 1541 LEU HB3 . 28048 1 519 . 1 . 1 113 113 LEU HG H 1 1.370 0.001 . 1 . . . . . 1541 LEU HG . 28048 1 520 . 1 . 1 113 113 LEU HD11 H 1 0.827 0.002 . 2 . . . . . 1541 LEU HD11 . 28048 1 521 . 1 . 1 113 113 LEU HD12 H 1 0.827 0.002 . 2 . . . . . 1541 LEU HD12 . 28048 1 522 . 1 . 1 113 113 LEU HD13 H 1 0.827 0.002 . 2 . . . . . 1541 LEU HD13 . 28048 1 523 . 1 . 1 113 113 LEU HD21 H 1 0.783 0.004 . 2 . . . . . 1541 LEU HD21 . 28048 1 524 . 1 . 1 113 113 LEU HD22 H 1 0.783 0.004 . 2 . . . . . 1541 LEU HD22 . 28048 1 525 . 1 . 1 113 113 LEU HD23 H 1 0.783 0.004 . 2 . . . . . 1541 LEU HD23 . 28048 1 526 . 1 . 1 113 113 LEU CA C 13 54.713 0.063 . 1 . . . . . 1541 LEU CA . 28048 1 527 . 1 . 1 113 113 LEU CB C 13 42.924 0.023 . 1 . . . . . 1541 LEU CB . 28048 1 528 . 1 . 1 113 113 LEU CG C 13 27.009 0.000 . 1 . . . . . 1541 LEU CG . 28048 1 529 . 1 . 1 113 113 LEU CD1 C 13 24.914 0.004 . 2 . . . . . 1541 LEU CD1 . 28048 1 530 . 1 . 1 113 113 LEU CD2 C 13 23.344 0.002 . 2 . . . . . 1541 LEU CD2 . 28048 1 531 . 1 . 1 113 113 LEU N N 15 118.123 0.015 . 1 . . . . . 1541 LEU N . 28048 1 532 . 1 . 1 114 114 GLU H H 1 8.624 0.002 . 1 . . . . . 1542 GLU H . 28048 1 533 . 1 . 1 114 114 GLU CA C 13 57.737 0.009 . 1 . . . . . 1542 GLU CA . 28048 1 534 . 1 . 1 114 114 GLU CB C 13 28.970 0.032 . 1 . . . . . 1542 GLU CB . 28048 1 535 . 1 . 1 114 114 GLU N N 15 125.201 0.013 . 1 . . . . . 1542 GLU N . 28048 1 536 . 1 . 1 115 115 GLY H H 1 7.409 0.004 . 1 . . . . . 1543 GLY H . 28048 1 537 . 1 . 1 115 115 GLY CA C 13 45.256 0.038 . 1 . . . . . 1543 GLY CA . 28048 1 538 . 1 . 1 115 115 GLY N N 15 113.383 0.141 . 1 . . . . . 1543 GLY N . 28048 1 539 . 1 . 1 116 116 SER H H 1 8.053 0.004 . 1 . . . . . 1544 SER H . 28048 1 540 . 1 . 1 116 116 SER CA C 13 58.396 0.031 . 1 . . . . . 1544 SER CA . 28048 1 541 . 1 . 1 116 116 SER CB C 13 65.294 0.002 . 1 . . . . . 1544 SER CB . 28048 1 542 . 1 . 1 116 116 SER N N 15 116.510 0.014 . 1 . . . . . 1544 SER N . 28048 1 543 . 1 . 1 117 117 LEU H H 1 8.631 0.003 . 1 . . . . . 1545 LEU H . 28048 1 544 . 1 . 1 117 117 LEU CA C 13 54.312 6.369 . 1 . . . . . 1545 LEU CA . 28048 1 545 . 1 . 1 117 117 LEU CB C 13 42.444 0.051 . 1 . . . . . 1545 LEU CB . 28048 1 546 . 1 . 1 117 117 LEU N N 15 124.566 0.016 . 1 . . . . . 1545 LEU N . 28048 1 547 . 1 . 1 118 118 ILE H H 1 8.235 0.001 . 1 . . . . . 1546 ILE H . 28048 1 548 . 1 . 1 118 118 ILE CA C 13 65.671 0.010 . 1 . . . . . 1546 ILE CA . 28048 1 549 . 1 . 1 118 118 ILE CB C 13 38.593 0.022 . 1 . . . . . 1546 ILE CB . 28048 1 550 . 1 . 1 118 118 ILE N N 15 115.281 0.039 . 1 . . . . . 1546 ILE N . 28048 1 551 . 1 . 1 119 119 TYR H H 1 7.170 0.016 . 1 . . . . . 1547 TYR H . 28048 1 552 . 1 . 1 119 119 TYR CA C 13 62.155 0.054 . 1 . . . . . 1547 TYR CA . 28048 1 553 . 1 . 1 119 119 TYR CB C 13 40.494 0.059 . 1 . . . . . 1547 TYR CB . 28048 1 554 . 1 . 1 119 119 TYR N N 15 119.897 0.150 . 1 . . . . . 1547 TYR N . 28048 1 555 . 1 . 1 120 120 GLU H H 1 8.817 0.001 . 1 . . . . . 1548 GLU H . 28048 1 556 . 1 . 1 120 120 GLU CA C 13 60.110 0.413 . 1 . . . . . 1548 GLU CA . 28048 1 557 . 1 . 1 120 120 GLU CB C 13 29.003 0.018 . 1 . . . . . 1548 GLU CB . 28048 1 558 . 1 . 1 120 120 GLU N N 15 120.066 0.056 . 1 . . . . . 1548 GLU N . 28048 1 559 . 1 . 1 121 121 ASP H H 1 9.409 0.003 . 1 . . . . . 1549 ASP H . 28048 1 560 . 1 . 1 121 121 ASP CA C 13 57.624 0.059 . 1 . . . . . 1549 ASP CA . 28048 1 561 . 1 . 1 121 121 ASP CB C 13 40.382 0.023 . 1 . . . . . 1549 ASP CB . 28048 1 562 . 1 . 1 121 121 ASP N N 15 122.341 0.023 . 1 . . . . . 1549 ASP N . 28048 1 563 . 1 . 1 122 122 SER H H 1 8.272 0.002 . 1 . . . . . 1550 SER H . 28048 1 564 . 1 . 1 122 122 SER CA C 13 57.436 0.000 . 1 . . . . . 1550 SER CA . 28048 1 565 . 1 . 1 122 122 SER N N 15 116.289 0.089 . 1 . . . . . 1550 SER N . 28048 1 566 . 1 . 1 123 123 ILE H H 1 7.215 0.004 . 1 . . . . . 1551 ILE H . 28048 1 567 . 1 . 1 123 123 ILE CA C 13 63.838 0.021 . 1 . . . . . 1551 ILE CA . 28048 1 568 . 1 . 1 123 123 ILE CB C 13 37.469 0.010 . 1 . . . . . 1551 ILE CB . 28048 1 569 . 1 . 1 123 123 ILE N N 15 125.050 0.013 . 1 . . . . . 1551 ILE N . 28048 1 570 . 1 . 1 124 124 VAL H H 1 7.578 0.004 . 1 . . . . . 1552 VAL H . 28048 1 571 . 1 . 1 124 124 VAL CA C 13 66.575 0.030 . 1 . . . . . 1552 VAL CA . 28048 1 572 . 1 . 1 124 124 VAL CB C 13 31.592 0.016 . 1 . . . . . 1552 VAL CB . 28048 1 573 . 1 . 1 124 124 VAL N N 15 121.840 0.046 . 1 . . . . . 1552 VAL N . 28048 1 574 . 1 . 1 125 125 LEU H H 1 8.569 0.008 . 1 . . . . . 1553 LEU H . 28048 1 575 . 1 . 1 125 125 LEU CA C 13 58.471 0.017 . 1 . . . . . 1553 LEU CA . 28048 1 576 . 1 . 1 125 125 LEU CB C 13 41.699 0.019 . 1 . . . . . 1553 LEU CB . 28048 1 577 . 1 . 1 125 125 LEU N N 15 119.142 0.035 . 1 . . . . . 1553 LEU N . 28048 1 578 . 1 . 1 126 126 GLN H H 1 7.623 0.002 . 1 . . . . . 1554 GLN H . 28048 1 579 . 1 . 1 126 126 GLN CA C 13 60.271 0.005 . 1 . . . . . 1554 GLN CA . 28048 1 580 . 1 . 1 126 126 GLN CB C 13 28.984 0.005 . 1 . . . . . 1554 GLN CB . 28048 1 581 . 1 . 1 126 126 GLN N N 15 117.737 0.005 . 1 . . . . . 1554 GLN N . 28048 1 582 . 1 . 1 127 127 SER H H 1 7.300 0.002 . 1 . . . . . 1555 SER H . 28048 1 583 . 1 . 1 127 127 SER CA C 13 61.148 0.000 . 1 . . . . . 1555 SER CA . 28048 1 584 . 1 . 1 127 127 SER CB C 13 62.994 0.000 . 1 . . . . . 1555 SER CB . 28048 1 585 . 1 . 1 127 127 SER N N 15 114.566 0.018 . 1 . . . . . 1555 SER N . 28048 1 586 . 1 . 1 129 129 PHE H H 1 8.651 0.029 . 1 . . . . . 1557 PHE H . 28048 1 587 . 1 . 1 129 129 PHE CA C 13 63.046 0.006 . 1 . . . . . 1557 PHE CA . 28048 1 588 . 1 . 1 129 129 PHE CB C 13 38.613 0.006 . 1 . . . . . 1557 PHE CB . 28048 1 589 . 1 . 1 129 129 PHE N N 15 118.130 0.029 . 1 . . . . . 1557 PHE N . 28048 1 590 . 1 . 1 130 130 THR H H 1 7.965 0.004 . 1 . . . . . 1558 THR H . 28048 1 591 . 1 . 1 130 130 THR CA C 13 67.180 0.003 . 1 . . . . . 1558 THR CA . 28048 1 592 . 1 . 1 130 130 THR CB C 13 68.629 0.011 . 1 . . . . . 1558 THR CB . 28048 1 593 . 1 . 1 130 130 THR N N 15 114.227 0.095 . 1 . . . . . 1558 THR N . 28048 1 594 . 1 . 1 131 131 SER H H 1 7.961 0.003 . 1 . . . . . 1559 SER H . 28048 1 595 . 1 . 1 131 131 SER CA C 13 61.530 0.085 . 1 . . . . . 1559 SER CA . 28048 1 596 . 1 . 1 131 131 SER CB C 13 62.915 0.010 . 1 . . . . . 1559 SER CB . 28048 1 597 . 1 . 1 131 131 SER N N 15 116.985 0.010 . 1 . . . . . 1559 SER N . 28048 1 598 . 1 . 1 132 132 VAL H H 1 8.646 0.009 . 1 . . . . . 1560 VAL H . 28048 1 599 . 1 . 1 132 132 VAL CA C 13 66.143 0.020 . 1 . . . . . 1560 VAL CA . 28048 1 600 . 1 . 1 132 132 VAL CB C 13 31.197 0.014 . 1 . . . . . 1560 VAL CB . 28048 1 601 . 1 . 1 132 132 VAL N N 15 122.457 0.110 . 1 . . . . . 1560 VAL N . 28048 1 602 . 1 . 1 133 133 ARG H H 1 8.742 0.003 . 1 . . . . . 1561 ARG H . 28048 1 603 . 1 . 1 133 133 ARG CA C 13 60.432 0.022 . 1 . . . . . 1561 ARG CA . 28048 1 604 . 1 . 1 133 133 ARG CB C 13 28.502 0.007 . 1 . . . . . 1561 ARG CB . 28048 1 605 . 1 . 1 133 133 ARG N N 15 120.253 0.009 . 1 . . . . . 1561 ARG N . 28048 1 606 . 1 . 1 134 134 GLN H H 1 7.682 0.001 . 1 . . . . . 1562 GLN H . 28048 1 607 . 1 . 1 134 134 GLN CA C 13 58.967 0.034 . 1 . . . . . 1562 GLN CA . 28048 1 608 . 1 . 1 134 134 GLN CB C 13 28.422 0.003 . 1 . . . . . 1562 GLN CB . 28048 1 609 . 1 . 1 134 134 GLN N N 15 115.408 0.011 . 1 . . . . . 1562 GLN N . 28048 1 610 . 1 . 1 135 135 LYS H H 1 7.327 0.012 . 1 . . . . . 1563 LYS H . 28048 1 611 . 1 . 1 135 135 LYS CA C 13 59.220 0.027 . 1 . . . . . 1563 LYS CA . 28048 1 612 . 1 . 1 135 135 LYS CB C 13 33.016 0.087 . 1 . . . . . 1563 LYS CB . 28048 1 613 . 1 . 1 135 135 LYS N N 15 118.254 0.180 . 1 . . . . . 1563 LYS N . 28048 1 614 . 1 . 1 136 136 ILE H H 1 8.328 0.002 . 1 . . . . . 1564 ILE H . 28048 1 615 . 1 . 1 136 136 ILE CA C 13 63.139 0.003 . 1 . . . . . 1564 ILE CA . 28048 1 616 . 1 . 1 136 136 ILE CB C 13 36.982 0.010 . 1 . . . . . 1564 ILE CB . 28048 1 617 . 1 . 1 136 136 ILE N N 15 119.367 0.027 . 1 . . . . . 1564 ILE N . 28048 1 618 . 1 . 1 137 137 GLU H H 1 8.217 0.000 . 1 . . . . . 1565 GLU H . 28048 1 619 . 1 . 1 137 137 GLU CA C 13 60.115 0.041 . 1 . . . . . 1565 GLU CA . 28048 1 620 . 1 . 1 137 137 GLU CB C 13 29.728 0.051 . 1 . . . . . 1565 GLU CB . 28048 1 621 . 1 . 1 137 137 GLU N N 15 120.179 0.025 . 1 . . . . . 1565 GLU N . 28048 1 622 . 1 . 1 138 138 LYS H H 1 7.084 0.002 . 1 . . . . . 1566 LYS H . 28048 1 623 . 1 . 1 138 138 LYS CA C 13 56.529 0.006 . 1 . . . . . 1566 LYS CA . 28048 1 624 . 1 . 1 138 138 LYS CB C 13 32.991 0.020 . 1 . . . . . 1566 LYS CB . 28048 1 625 . 1 . 1 138 138 LYS N N 15 114.935 0.040 . 1 . . . . . 1566 LYS N . 28048 1 626 . 1 . 1 139 139 GLU H H 1 7.483 0.005 . 1 . . . . . 1567 GLU H . 28048 1 627 . 1 . 1 139 139 GLU CA C 13 56.995 0.039 . 1 . . . . . 1567 GLU CA . 28048 1 628 . 1 . 1 139 139 GLU CB C 13 30.337 0.021 . 1 . . . . . 1567 GLU CB . 28048 1 629 . 1 . 1 139 139 GLU N N 15 119.730 0.195 . 1 . . . . . 1567 GLU N . 28048 1 630 . 1 . 1 140 140 ASP H H 1 8.348 0.001 . 1 . . . . . 1568 ASP H . 28048 1 631 . 1 . 1 140 140 ASP CA C 13 54.621 0.020 . 1 . . . . . 1568 ASP CA . 28048 1 632 . 1 . 1 140 140 ASP CB C 13 41.434 0.000 . 1 . . . . . 1568 ASP CB . 28048 1 633 . 1 . 1 140 140 ASP N N 15 122.105 0.012 . 1 . . . . . 1568 ASP N . 28048 1 634 . 1 . 1 141 141 ASP H H 1 7.977 0.004 . 1 . . . . . 1569 ASP H . 28048 1 635 . 1 . 1 141 141 ASP CA C 13 56.186 0.000 . 1 . . . . . 1569 ASP CA . 28048 1 636 . 1 . 1 141 141 ASP CB C 13 42.767 0.000 . 1 . . . . . 1569 ASP CB . 28048 1 637 . 1 . 1 141 141 ASP N N 15 126.084 0.123 . 1 . . . . . 1569 ASP N . 28048 1 stop_ save_