data_19322 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19322 _Entry.Title ; LTBP1 cbEGF14-TB3-EGF3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-26 _Entry.Accession_date 2013-06-26 _Entry.Last_release_date 2014-02-13 _Entry.Original_release_date 2014-02-13 _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 Ian Robertson . B. . 19322 2 Penny Handford . A. . 19322 3 Christina Redfield . . . 19322 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19322 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 236 19322 '1H chemical shifts' 489 19322 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 . . 2014-02-13 2013-06-26 original author . 19322 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19322 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24489852 _Citation.Full_citation . _Citation.Title 'NMR Spectroscopic and Bioinformatic Analyses of the LTBP1 C-Terminus Reveal a Highly Dynamic Domain Organisation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _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 e87125 _Citation.Page_last e87125 _Citation.Year 2014 _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 Ian Robertson . B. . 19322 1 2 Penny Handford . A. . 19322 1 3 Christina Redfield . . . 19322 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 19322 _Assembly.ID 1 _Assembly.Name LTBP1-cb14TB3 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 13158.6 _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 cb14TB3 1 $cb14TB3 A . yes native no no . . . 19322 1 2 TB3E3 2 $TB3E3 B . yes native no no . . . 19322 1 3 'CALCIUM ION' 3 $entity_CA C . no native no no . . . 19322 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 18 18 SG . . . . . . . . . . 19322 1 2 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . 19322 1 3 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 42 42 SG . . . . . . . . . . 19322 1 4 disulfide single . 1 . 1 CYS 62 62 SG . 1 . 1 CYS 86 86 SG . . . . . . . . . . 19322 1 5 disulfide single . 1 . 1 CYS 72 72 SG . 1 . 1 CYS 98 98 SG . . . . . . . . . . 19322 1 6 disulfide single . 1 . 1 CYS 87 87 SG . 1 . 1 CYS 101 101 SG . . . . . . . . . . 19322 1 7 disulfide single . 1 . 1 CYS 88 88 SG . 1 . 1 CYS 113 113 SG . . . . . . . . . . 19322 1 8 disulfide single . 2 . 2 CYS 37 37 SG . 2 . 2 CYS 61 61 SG . . . . . . . . . . 19322 1 9 disulfide single . 2 . 2 CYS 47 47 SG . 2 . 2 CYS 73 73 SG . . . . . . . . . . 19322 1 10 disulfide single . 2 . 2 CYS 62 62 SG . 2 . 2 CYS 76 76 SG . . . . . . . . . . 19322 1 11 disulfide single . 2 . 2 CYS 63 63 SG . 2 . 2 CYS 88 88 SG . . . . . . . . . . 19322 1 12 disulfide single . 2 . 2 CYS 136 136 SG . 2 . 2 CYS 147 147 SG . . . . . . . . . . 19322 1 13 disulfide single . 2 . 2 CYS 142 142 SG . 2 . 2 CYS 156 156 SG . . . . . . . . . . 19322 1 14 disulfide single . 2 . 2 CYS 158 158 SG . 2 . 2 CYS 171 171 SG . . . . . . . . . . 19322 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cb14TB3 _Entity.Sf_category entity _Entity.Sf_framecode cb14TB3 _Entity.Entry_ID 19322 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cb14TB3 _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 ; SADMDECQDPSSCIDGQCVN TEGSYNCFCTHPMVLDASEK RCIRPAESNEQIEETDVYQD LCWEHLSDEYVCSRPLVGKQ TTYTECCCLYGEAWGMQCAL CPLKDSDDYAQLCNIPV ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment cb14-TB3 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q14766 . LTBP1 . . . . . . . . . . . . . . 19322 1 2 no DBJ BAG61269 . "unnamed protein product [Homo sapiens]" . . . . . 98.29 399 100.00 100.00 1.12e-74 . . . . 19322 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1466 SER . 19322 1 2 1467 ALA . 19322 1 3 1468 ASP . 19322 1 4 1469 MET . 19322 1 5 1470 ASP . 19322 1 6 1471 GLU . 19322 1 7 1472 CYS . 19322 1 8 1473 GLN . 19322 1 9 1474 ASP . 19322 1 10 1475 PRO . 19322 1 11 1476 SER . 19322 1 12 1477 SER . 19322 1 13 1478 CYS . 19322 1 14 1479 ILE . 19322 1 15 1480 ASP . 19322 1 16 1481 GLY . 19322 1 17 1482 GLN . 19322 1 18 1483 CYS . 19322 1 19 1484 VAL . 19322 1 20 1485 ASN . 19322 1 21 1486 THR . 19322 1 22 1487 GLU . 19322 1 23 1488 GLY . 19322 1 24 1489 SER . 19322 1 25 1490 TYR . 19322 1 26 1491 ASN . 19322 1 27 1492 CYS . 19322 1 28 1493 PHE . 19322 1 29 1494 CYS . 19322 1 30 1495 THR . 19322 1 31 1496 HIS . 19322 1 32 1497 PRO . 19322 1 33 1498 MET . 19322 1 34 1499 VAL . 19322 1 35 1500 LEU . 19322 1 36 1501 ASP . 19322 1 37 1502 ALA . 19322 1 38 1503 SER . 19322 1 39 1504 GLU . 19322 1 40 1505 LYS . 19322 1 41 1506 ARG . 19322 1 42 1507 CYS . 19322 1 43 1508 ILE . 19322 1 44 1509 ARG . 19322 1 45 1510 PRO . 19322 1 46 1511 ALA . 19322 1 47 1512 GLU . 19322 1 48 1513 SER . 19322 1 49 1514 ASN . 19322 1 50 1515 GLU . 19322 1 51 1516 GLN . 19322 1 52 1517 ILE . 19322 1 53 1518 GLU . 19322 1 54 1519 GLU . 19322 1 55 1520 THR . 19322 1 56 1521 ASP . 19322 1 57 1522 VAL . 19322 1 58 1523 TYR . 19322 1 59 1524 GLN . 19322 1 60 1525 ASP . 19322 1 61 1526 LEU . 19322 1 62 1527 CYS . 19322 1 63 1528 TRP . 19322 1 64 1529 GLU . 19322 1 65 1530 HIS . 19322 1 66 1531 LEU . 19322 1 67 1532 SER . 19322 1 68 1533 ASP . 19322 1 69 1534 GLU . 19322 1 70 1535 TYR . 19322 1 71 1536 VAL . 19322 1 72 1537 CYS . 19322 1 73 1538 SER . 19322 1 74 1539 ARG . 19322 1 75 1540 PRO . 19322 1 76 1541 LEU . 19322 1 77 1542 VAL . 19322 1 78 1543 GLY . 19322 1 79 1544 LYS . 19322 1 80 1545 GLN . 19322 1 81 1546 THR . 19322 1 82 1547 THR . 19322 1 83 1548 TYR . 19322 1 84 1549 THR . 19322 1 85 1550 GLU . 19322 1 86 1551 CYS . 19322 1 87 1552 CYS . 19322 1 88 1553 CYS . 19322 1 89 1554 LEU . 19322 1 90 1555 TYR . 19322 1 91 1556 GLY . 19322 1 92 1557 GLU . 19322 1 93 1558 ALA . 19322 1 94 1559 TRP . 19322 1 95 1560 GLY . 19322 1 96 1561 MET . 19322 1 97 1562 GLN . 19322 1 98 1563 CYS . 19322 1 99 1564 ALA . 19322 1 100 1565 LEU . 19322 1 101 1566 CYS . 19322 1 102 1567 PRO . 19322 1 103 1568 LEU . 19322 1 104 1569 LYS . 19322 1 105 1570 ASP . 19322 1 106 1571 SER . 19322 1 107 1572 ASP . 19322 1 108 1573 ASP . 19322 1 109 1574 TYR . 19322 1 110 1575 ALA . 19322 1 111 1576 GLN . 19322 1 112 1577 LEU . 19322 1 113 1578 CYS . 19322 1 114 1579 ASN . 19322 1 115 1580 ILE . 19322 1 116 1581 PRO . 19322 1 117 1582 VAL . 19322 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 . SER 1 1 19322 1 . ALA 2 2 19322 1 . ASP 3 3 19322 1 . MET 4 4 19322 1 . ASP 5 5 19322 1 . GLU 6 6 19322 1 . CYS 7 7 19322 1 . GLN 8 8 19322 1 . ASP 9 9 19322 1 . PRO 10 10 19322 1 . SER 11 11 19322 1 . SER 12 12 19322 1 . CYS 13 13 19322 1 . ILE 14 14 19322 1 . ASP 15 15 19322 1 . GLY 16 16 19322 1 . GLN 17 17 19322 1 . CYS 18 18 19322 1 . VAL 19 19 19322 1 . ASN 20 20 19322 1 . THR 21 21 19322 1 . GLU 22 22 19322 1 . GLY 23 23 19322 1 . SER 24 24 19322 1 . TYR 25 25 19322 1 . ASN 26 26 19322 1 . CYS 27 27 19322 1 . PHE 28 28 19322 1 . CYS 29 29 19322 1 . THR 30 30 19322 1 . HIS 31 31 19322 1 . PRO 32 32 19322 1 . MET 33 33 19322 1 . VAL 34 34 19322 1 . LEU 35 35 19322 1 . ASP 36 36 19322 1 . ALA 37 37 19322 1 . SER 38 38 19322 1 . GLU 39 39 19322 1 . LYS 40 40 19322 1 . ARG 41 41 19322 1 . CYS 42 42 19322 1 . ILE 43 43 19322 1 . ARG 44 44 19322 1 . PRO 45 45 19322 1 . ALA 46 46 19322 1 . GLU 47 47 19322 1 . SER 48 48 19322 1 . ASN 49 49 19322 1 . GLU 50 50 19322 1 . GLN 51 51 19322 1 . ILE 52 52 19322 1 . GLU 53 53 19322 1 . GLU 54 54 19322 1 . THR 55 55 19322 1 . ASP 56 56 19322 1 . VAL 57 57 19322 1 . TYR 58 58 19322 1 . GLN 59 59 19322 1 . ASP 60 60 19322 1 . LEU 61 61 19322 1 . CYS 62 62 19322 1 . TRP 63 63 19322 1 . GLU 64 64 19322 1 . HIS 65 65 19322 1 . LEU 66 66 19322 1 . SER 67 67 19322 1 . ASP 68 68 19322 1 . GLU 69 69 19322 1 . TYR 70 70 19322 1 . VAL 71 71 19322 1 . CYS 72 72 19322 1 . SER 73 73 19322 1 . ARG 74 74 19322 1 . PRO 75 75 19322 1 . LEU 76 76 19322 1 . VAL 77 77 19322 1 . GLY 78 78 19322 1 . LYS 79 79 19322 1 . GLN 80 80 19322 1 . THR 81 81 19322 1 . THR 82 82 19322 1 . TYR 83 83 19322 1 . THR 84 84 19322 1 . GLU 85 85 19322 1 . CYS 86 86 19322 1 . CYS 87 87 19322 1 . CYS 88 88 19322 1 . LEU 89 89 19322 1 . TYR 90 90 19322 1 . GLY 91 91 19322 1 . GLU 92 92 19322 1 . ALA 93 93 19322 1 . TRP 94 94 19322 1 . GLY 95 95 19322 1 . MET 96 96 19322 1 . GLN 97 97 19322 1 . CYS 98 98 19322 1 . ALA 99 99 19322 1 . LEU 100 100 19322 1 . CYS 101 101 19322 1 . PRO 102 102 19322 1 . LEU 103 103 19322 1 . LYS 104 104 19322 1 . ASP 105 105 19322 1 . SER 106 106 19322 1 . ASP 107 107 19322 1 . ASP 108 108 19322 1 . TYR 109 109 19322 1 . ALA 110 110 19322 1 . GLN 111 111 19322 1 . LEU 112 112 19322 1 . CYS 113 113 19322 1 . ASN 114 114 19322 1 . ILE 115 115 19322 1 . PRO 116 116 19322 1 . VAL 117 117 19322 1 stop_ save_ save_TB3E3 _Entity.Sf_category entity _Entity.Sf_framecode TB3E3 _Entity.Entry_ID 19322 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name TB3E3 _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 ; MRGSHHHHHHGSIEGRSARP AESNEQIEETDVYQDLCWEH LSDEYVCSRPLVGKQTTYTE CCCLYGEAWGMQCALCPLKD SDDYAQLCNIPVTGRRQPYG RDALVDFSEQYTPEADPYFI QDRFLNSFEELQAEECGILN GCENGRCVRVQEGYTCDCFD GYHLDTAKMTCV ; _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 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment TB3E3 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q14766 . LTBP1 . . . . . . . . . . . . . . 19322 2 2 no GB AAY15036 . "unknown [Homo sapiens]" . . . . . 52.33 150 100.00 100.00 2.95e-58 . . . . 19322 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1491 MET . 19322 2 2 1492 ARG . 19322 2 3 1493 GLY . 19322 2 4 1494 SER . 19322 2 5 1495 HIS . 19322 2 6 1496 HIS . 19322 2 7 1497 HIS . 19322 2 8 1498 HIS . 19322 2 9 1499 HIS . 19322 2 10 1500 HIS . 19322 2 11 1501 GLY . 19322 2 12 1502 SER . 19322 2 13 1503 ILE . 19322 2 14 1504 GLU . 19322 2 15 1505 GLY . 19322 2 16 1506 ARG . 19322 2 17 1507 SER . 19322 2 18 1508 ALA . 19322 2 19 1509 ARG . 19322 2 20 1510 PRO . 19322 2 21 1511 ALA . 19322 2 22 1512 GLU . 19322 2 23 1513 SER . 19322 2 24 1514 ASN . 19322 2 25 1515 GLU . 19322 2 26 1516 GLN . 19322 2 27 1517 ILE . 19322 2 28 1518 GLU . 19322 2 29 1519 GLU . 19322 2 30 1520 THR . 19322 2 31 1521 ASP . 19322 2 32 1522 VAL . 19322 2 33 1523 TYR . 19322 2 34 1524 GLN . 19322 2 35 1525 ASP . 19322 2 36 1526 LEU . 19322 2 37 1527 CYS . 19322 2 38 1528 TRP . 19322 2 39 1529 GLU . 19322 2 40 1530 HIS . 19322 2 41 1531 LEU . 19322 2 42 1532 SER . 19322 2 43 1533 ASP . 19322 2 44 1534 GLU . 19322 2 45 1535 TYR . 19322 2 46 1536 VAL . 19322 2 47 1537 CYS . 19322 2 48 1538 SER . 19322 2 49 1539 ARG . 19322 2 50 1540 PRO . 19322 2 51 1541 LEU . 19322 2 52 1542 VAL . 19322 2 53 1543 GLY . 19322 2 54 1544 LYS . 19322 2 55 1545 GLN . 19322 2 56 1546 THR . 19322 2 57 1547 THR . 19322 2 58 1548 TYR . 19322 2 59 1549 THR . 19322 2 60 1550 GLU . 19322 2 61 1551 CYS . 19322 2 62 1552 CYS . 19322 2 63 1553 CYS . 19322 2 64 1554 LEU . 19322 2 65 1555 TYR . 19322 2 66 1556 GLY . 19322 2 67 1557 GLU . 19322 2 68 1558 ALA . 19322 2 69 1559 TRP . 19322 2 70 1560 GLY . 19322 2 71 1561 MET . 19322 2 72 1562 GLN . 19322 2 73 1563 CYS . 19322 2 74 1564 ALA . 19322 2 75 1565 LEU . 19322 2 76 1566 CYS . 19322 2 77 1567 PRO . 19322 2 78 1568 LEU . 19322 2 79 1569 LYS . 19322 2 80 1570 ASP . 19322 2 81 1571 SER . 19322 2 82 1572 ASP . 19322 2 83 1573 ASP . 19322 2 84 1574 TYR . 19322 2 85 1575 ALA . 19322 2 86 1576 GLN . 19322 2 87 1577 LEU . 19322 2 88 1578 CYS . 19322 2 89 1579 ASN . 19322 2 90 1580 ILE . 19322 2 91 1581 PRO . 19322 2 92 1582 VAL . 19322 2 93 1583 THR . 19322 2 94 1584 GLY . 19322 2 95 1585 ARG . 19322 2 96 1586 ARG . 19322 2 97 1587 GLN . 19322 2 98 1588 PRO . 19322 2 99 1589 TYR . 19322 2 100 1590 GLY . 19322 2 101 1591 ARG . 19322 2 102 1592 ASP . 19322 2 103 1593 ALA . 19322 2 104 1594 LEU . 19322 2 105 1595 VAL . 19322 2 106 1596 ASP . 19322 2 107 1597 PHE . 19322 2 108 1598 SER . 19322 2 109 1599 GLU . 19322 2 110 1600 GLN . 19322 2 111 1601 TYR . 19322 2 112 1602 THR . 19322 2 113 1603 PRO . 19322 2 114 1604 GLU . 19322 2 115 1605 ALA . 19322 2 116 1606 ASP . 19322 2 117 1607 PRO . 19322 2 118 1608 TYR . 19322 2 119 1609 PHE . 19322 2 120 1610 ILE . 19322 2 121 1611 GLN . 19322 2 122 1612 ASP . 19322 2 123 1613 ARG . 19322 2 124 1614 PHE . 19322 2 125 1615 LEU . 19322 2 126 1616 ASN . 19322 2 127 1617 SER . 19322 2 128 1618 PHE . 19322 2 129 1619 GLU . 19322 2 130 1620 GLU . 19322 2 131 1621 LEU . 19322 2 132 1622 GLN . 19322 2 133 1623 ALA . 19322 2 134 1624 GLU . 19322 2 135 1625 GLU . 19322 2 136 1626 CYS . 19322 2 137 1627 GLY . 19322 2 138 1628 ILE . 19322 2 139 1629 LEU . 19322 2 140 1630 ASN . 19322 2 141 1631 GLY . 19322 2 142 1632 CYS . 19322 2 143 1633 GLU . 19322 2 144 1634 ASN . 19322 2 145 1635 GLY . 19322 2 146 1636 ARG . 19322 2 147 1637 CYS . 19322 2 148 1638 VAL . 19322 2 149 1639 ARG . 19322 2 150 1640 VAL . 19322 2 151 1641 GLN . 19322 2 152 1642 GLU . 19322 2 153 1643 GLY . 19322 2 154 1644 TYR . 19322 2 155 1645 THR . 19322 2 156 1646 CYS . 19322 2 157 1647 ASP . 19322 2 158 1648 CYS . 19322 2 159 1649 PHE . 19322 2 160 1650 ASP . 19322 2 161 1651 GLY . 19322 2 162 1652 TYR . 19322 2 163 1653 HIS . 19322 2 164 1654 LEU . 19322 2 165 1655 ASP . 19322 2 166 1656 THR . 19322 2 167 1657 ALA . 19322 2 168 1658 LYS . 19322 2 169 1659 MET . 19322 2 170 1660 THR . 19322 2 171 1661 CYS . 19322 2 172 1662 VAL . 19322 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19322 2 . ARG 2 2 19322 2 . GLY 3 3 19322 2 . SER 4 4 19322 2 . HIS 5 5 19322 2 . HIS 6 6 19322 2 . HIS 7 7 19322 2 . HIS 8 8 19322 2 . HIS 9 9 19322 2 . HIS 10 10 19322 2 . GLY 11 11 19322 2 . SER 12 12 19322 2 . ILE 13 13 19322 2 . GLU 14 14 19322 2 . GLY 15 15 19322 2 . ARG 16 16 19322 2 . SER 17 17 19322 2 . ALA 18 18 19322 2 . ARG 19 19 19322 2 . PRO 20 20 19322 2 . ALA 21 21 19322 2 . GLU 22 22 19322 2 . SER 23 23 19322 2 . ASN 24 24 19322 2 . GLU 25 25 19322 2 . GLN 26 26 19322 2 . ILE 27 27 19322 2 . GLU 28 28 19322 2 . GLU 29 29 19322 2 . THR 30 30 19322 2 . ASP 31 31 19322 2 . VAL 32 32 19322 2 . TYR 33 33 19322 2 . GLN 34 34 19322 2 . ASP 35 35 19322 2 . LEU 36 36 19322 2 . CYS 37 37 19322 2 . TRP 38 38 19322 2 . GLU 39 39 19322 2 . HIS 40 40 19322 2 . LEU 41 41 19322 2 . SER 42 42 19322 2 . ASP 43 43 19322 2 . GLU 44 44 19322 2 . TYR 45 45 19322 2 . VAL 46 46 19322 2 . CYS 47 47 19322 2 . SER 48 48 19322 2 . ARG 49 49 19322 2 . PRO 50 50 19322 2 . LEU 51 51 19322 2 . VAL 52 52 19322 2 . GLY 53 53 19322 2 . LYS 54 54 19322 2 . GLN 55 55 19322 2 . THR 56 56 19322 2 . THR 57 57 19322 2 . TYR 58 58 19322 2 . THR 59 59 19322 2 . GLU 60 60 19322 2 . CYS 61 61 19322 2 . CYS 62 62 19322 2 . CYS 63 63 19322 2 . LEU 64 64 19322 2 . TYR 65 65 19322 2 . GLY 66 66 19322 2 . GLU 67 67 19322 2 . ALA 68 68 19322 2 . TRP 69 69 19322 2 . GLY 70 70 19322 2 . MET 71 71 19322 2 . GLN 72 72 19322 2 . CYS 73 73 19322 2 . ALA 74 74 19322 2 . LEU 75 75 19322 2 . CYS 76 76 19322 2 . PRO 77 77 19322 2 . LEU 78 78 19322 2 . LYS 79 79 19322 2 . ASP 80 80 19322 2 . SER 81 81 19322 2 . ASP 82 82 19322 2 . ASP 83 83 19322 2 . TYR 84 84 19322 2 . ALA 85 85 19322 2 . GLN 86 86 19322 2 . LEU 87 87 19322 2 . CYS 88 88 19322 2 . ASN 89 89 19322 2 . ILE 90 90 19322 2 . PRO 91 91 19322 2 . VAL 92 92 19322 2 . THR 93 93 19322 2 . GLY 94 94 19322 2 . ARG 95 95 19322 2 . ARG 96 96 19322 2 . GLN 97 97 19322 2 . PRO 98 98 19322 2 . TYR 99 99 19322 2 . GLY 100 100 19322 2 . ARG 101 101 19322 2 . ASP 102 102 19322 2 . ALA 103 103 19322 2 . LEU 104 104 19322 2 . VAL 105 105 19322 2 . ASP 106 106 19322 2 . PHE 107 107 19322 2 . SER 108 108 19322 2 . GLU 109 109 19322 2 . GLN 110 110 19322 2 . TYR 111 111 19322 2 . THR 112 112 19322 2 . PRO 113 113 19322 2 . GLU 114 114 19322 2 . ALA 115 115 19322 2 . ASP 116 116 19322 2 . PRO 117 117 19322 2 . TYR 118 118 19322 2 . PHE 119 119 19322 2 . ILE 120 120 19322 2 . GLN 121 121 19322 2 . ASP 122 122 19322 2 . ARG 123 123 19322 2 . PHE 124 124 19322 2 . LEU 125 125 19322 2 . ASN 126 126 19322 2 . SER 127 127 19322 2 . PHE 128 128 19322 2 . GLU 129 129 19322 2 . GLU 130 130 19322 2 . LEU 131 131 19322 2 . GLN 132 132 19322 2 . ALA 133 133 19322 2 . GLU 134 134 19322 2 . GLU 135 135 19322 2 . CYS 136 136 19322 2 . GLY 137 137 19322 2 . ILE 138 138 19322 2 . LEU 139 139 19322 2 . ASN 140 140 19322 2 . GLY 141 141 19322 2 . CYS 142 142 19322 2 . GLU 143 143 19322 2 . ASN 144 144 19322 2 . GLY 145 145 19322 2 . ARG 146 146 19322 2 . CYS 147 147 19322 2 . VAL 148 148 19322 2 . ARG 149 149 19322 2 . VAL 150 150 19322 2 . GLN 151 151 19322 2 . GLU 152 152 19322 2 . GLY 153 153 19322 2 . TYR 154 154 19322 2 . THR 155 155 19322 2 . CYS 156 156 19322 2 . ASP 157 157 19322 2 . CYS 158 158 19322 2 . PHE 159 159 19322 2 . ASP 160 160 19322 2 . GLY 161 161 19322 2 . TYR 162 162 19322 2 . HIS 163 163 19322 2 . LEU 164 164 19322 2 . ASP 165 165 19322 2 . THR 166 166 19322 2 . ALA 167 167 19322 2 . LYS 168 168 19322 2 . MET 169 169 19322 2 . THR 170 170 19322 2 . CYS 171 171 19322 2 . VAL 172 172 19322 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 19322 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 19322 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 19322 3 CA 'Three letter code' 19322 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 19322 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 19322 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19322 _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 $cb14TB3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19322 1 2 2 $TB3E3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19322 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 19322 _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 $cb14TB3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE30 . . . . . . 19322 1 2 2 $TB3E3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE30 . . . . . . 19322 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 19322 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 19322 CA [Ca++] SMILES CACTVS 3.341 19322 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 19322 CA [Ca+2] SMILES ACDLabs 10.04 19322 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 19322 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19322 CA InChI=1S/Ca/q+2 InChI InChI 1.03 19322 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 19322 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19322 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19322 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_LTBP1-cb14TB3-1 _Sample.Sf_category sample _Sample.Sf_framecode sample_LTBP1-cb14TB3-1 _Sample.Entry_ID 19322 _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 cb14TB3 '[U-100% 15N]' . . 1 $cb14TB3 . . . 2 4 mM . . . . 19322 1 2 TB3E3 '[U-100% 15N]' . . 2 $TB3E3 . . . 2 4 mM . . . . 19322 1 3 'Calcium Chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19322 1 stop_ save_ save_sample_LTBP1-cb14TB3-2 _Sample.Sf_category sample _Sample.Sf_framecode sample_LTBP1-cb14TB3-2 _Sample.Entry_ID 19322 _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 cb14TB3 '[U-100% 15N]' . . 1 $cb14TB3 . . . 2 3 mM . . . . 19322 2 2 TB3E3 '[U-100% 15N]' . . 2 $TB3E3 . . . 2 3 mM . . . . 19322 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 19322 _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' 60 . mM 19322 1 pH 5.9 . pH 19322 1 pressure 1 . atm 19322 1 temperature 273 . K 19322 1 stop_ save_ save_sample_conditions-2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions-2 _Sample_condition_list.Entry_ID 19322 _Sample_condition_list.ID 2 _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 . mM 19322 2 pH 6.9 . pH 19322 2 temperature 273 . K 19322 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19322 _Software.ID 1 _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' . . 19322 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19322 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 19322 _Software.ID 2 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19322 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19322 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500 _NMR_spectrometer.Entry_ID 19322 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'home-built console using GE/Omega data acquisition computer and software,triple-axis gradient probehead' _NMR_spectrometer.Manufacturer 'Home built' _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 19322 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'home-built console using GE/Omega data acquisition computer and software,triple-axis gradient probehead' _NMR_spectrometer.Manufacturer 'Home built' _NMR_spectrometer.Model OMEGA _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 19322 _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 1 500 'Home built' OMEGA . 500 'home-built console using GE/Omega data acquisition computer and software,triple-axis gradient probehead' . . 19322 1 2 600 'Home built' OMEGA . 600 'home-built console using GE/Omega data acquisition computer and software,triple-axis gradient probehead' . . 19322 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 19322 _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_LTBP1-cb14TB3-1 isotropic . . 1 $sample_conditions-1 . . . 1 $500 . . . . . . . . . . . . . . . . 19322 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_LTBP1-cb14TB3-1 isotropic . . 1 $sample_conditions-1 . . . 1 $500 . . . . . . . . . . . . . . . . 19322 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_LTBP1-cb14TB3-1 isotropic . . 1 $sample_conditions-1 . . . 1 $500 . . . . . . . . . . . . . . . . 19322 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_LTBP1-cb14TB3-2 isotropic . . 2 $sample_conditions-2 . . . 2 $600 . . . . . . . . . . . . . . . . 19322 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_LTBP1-cb14TB3-2 isotropic . . 2 $sample_conditions-2 . . . 2 $600 . . . . . . . . . . . . . . . . 19322 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_LTBP1-cb14TB3-2 isotropic . . 2 $sample_conditions-2 . . . 2 $600 . . . . . . . . . . . . . . . . 19322 1 7 '3D 1H-15N HSQC-NOESY-HSQC' no . . . . . . . . . . 1 $sample_LTBP1-cb14TB3-1 isotropic . . 1 $sample_conditions-1 . . . 1 $500 . . . . . . . . . . . . . . . . 19322 1 8 '3D 1H-15N HSQC-NOESY-HSQC' no . . . . . . . . . . 2 $sample_LTBP1-cb14TB3-2 isotropic . . 2 $sample_conditions-2 . . . 2 $600 . . . . . . . . . . . . . . . . 19322 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 19322 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19322 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19322 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_chemical_shifts-1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts-1 _Assigned_chem_shift_list.Entry_ID 19322 _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' . . . 19322 1 2 '3D 1H-15N NOESY' . . . 19322 1 3 '3D 1H-15N TOCSY' . . . 19322 1 7 '3D 1H-15N HSQC-NOESY-HSQC' . . . 19322 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 3 3 ASP H H 1 8.402 0.020 . 1 . . . . 1468 ASP H . 19322 1 2 . 1 1 3 3 ASP HA H 1 4.588 0.020 . 1 . . . . 1468 ASP HA . 19322 1 3 . 1 1 3 3 ASP HB2 H 1 2.726 0.020 . 2 . . . . 1468 ASP HB2 . 19322 1 4 . 1 1 3 3 ASP HB3 H 1 2.468 0.020 . 2 . . . . 1468 ASP HB3 . 19322 1 5 . 1 1 3 3 ASP N N 15 119.443 0.200 . 1 . . . . 1468 ASP N . 19322 1 6 . 1 1 4 4 MET H H 1 7.997 0.020 . 1 . . . . 1469 MET H . 19322 1 7 . 1 1 4 4 MET HA H 1 4.456 0.020 . 1 . . . . 1469 MET HA . 19322 1 8 . 1 1 4 4 MET N N 15 122.385 0.200 . 1 . . . . 1469 MET N . 19322 1 9 . 1 1 5 5 ASP H H 1 8.808 0.020 . 1 . . . . 1470 ASP H . 19322 1 10 . 1 1 5 5 ASP HA H 1 4.840 0.020 . 1 . . . . 1470 ASP HA . 19322 1 11 . 1 1 5 5 ASP HB2 H 1 2.477 0.020 . 2 . . . . 1470 ASP HB2 . 19322 1 12 . 1 1 5 5 ASP HB3 H 1 2.840 0.020 . 2 . . . . 1470 ASP HB3 . 19322 1 13 . 1 1 5 5 ASP N N 15 123.880 0.200 . 1 . . . . 1470 ASP N . 19322 1 14 . 1 1 6 6 GLU H H 1 9.639 0.020 . 1 . . . . 1471 GLU H . 19322 1 15 . 1 1 6 6 GLU HA H 1 3.797 0.020 . 1 . . . . 1471 GLU HA . 19322 1 16 . 1 1 6 6 GLU HB2 H 1 1.272 0.020 . 1 . . . . 1471 GLU HB2 . 19322 1 17 . 1 1 6 6 GLU N N 15 126.496 0.200 . 1 . . . . 1471 GLU N . 19322 1 18 . 1 1 7 7 CYS H H 1 8.323 0.020 . 1 . . . . 1472 CYS H . 19322 1 19 . 1 1 7 7 CYS HA H 1 4.526 0.020 . 1 . . . . 1472 CYS HA . 19322 1 20 . 1 1 7 7 CYS HB2 H 1 3.233 0.020 . 1 . . . . 1472 CYS HB2 . 19322 1 21 . 1 1 7 7 CYS N N 15 115.868 0.200 . 1 . . . . 1472 CYS N . 19322 1 22 . 1 1 8 8 GLN H H 1 7.433 0.020 . 1 . . . . 1473 GLN H . 19322 1 23 . 1 1 8 8 GLN HA H 1 4.064 0.020 . 1 . . . . 1473 GLN HA . 19322 1 24 . 1 1 8 8 GLN N N 15 117.908 0.200 . 1 . . . . 1473 GLN N . 19322 1 25 . 1 1 9 9 ASP H H 1 7.391 0.020 . 1 . . . . 1474 ASP H . 19322 1 26 . 1 1 9 9 ASP HA H 1 4.975 0.020 . 1 . . . . 1474 ASP HA . 19322 1 27 . 1 1 9 9 ASP HB2 H 1 2.436 0.020 . 2 . . . . 1474 ASP HB2 . 19322 1 28 . 1 1 9 9 ASP HB3 H 1 2.988 0.020 . 2 . . . . 1474 ASP HB3 . 19322 1 29 . 1 1 9 9 ASP N N 15 120.345 0.200 . 1 . . . . 1474 ASP N . 19322 1 30 . 1 1 11 11 SER H H 1 8.526 0.020 . 1 . . . . 1476 SER H . 19322 1 31 . 1 1 11 11 SER HA H 1 4.318 0.020 . 1 . . . . 1476 SER HA . 19322 1 32 . 1 1 11 11 SER HB2 H 1 3.936 0.020 . 1 . . . . 1476 SER HB2 . 19322 1 33 . 1 1 11 11 SER N N 15 113.833 0.200 . 1 . . . . 1476 SER N . 19322 1 34 . 1 1 12 12 SER H H 1 7.816 0.020 . 1 . . . . 1477 SER H . 19322 1 35 . 1 1 12 12 SER HA H 1 4.115 0.020 . 1 . . . . 1477 SER HA . 19322 1 36 . 1 1 12 12 SER HB2 H 1 3.364 0.020 . 2 . . . . 1477 SER HB2 . 19322 1 37 . 1 1 12 12 SER HB3 H 1 3.642 0.020 . 2 . . . . 1477 SER HB3 . 19322 1 38 . 1 1 12 12 SER N N 15 117.321 0.200 . 1 . . . . 1477 SER N . 19322 1 39 . 1 1 15 15 ASP H H 1 9.104 0.020 . 1 . . . . 1480 ASP H . 19322 1 40 . 1 1 15 15 ASP HA H 1 4.343 0.020 . 1 . . . . 1480 ASP HA . 19322 1 41 . 1 1 15 15 ASP HB2 H 1 2.910 0.020 . 2 . . . . 1480 ASP HB2 . 19322 1 42 . 1 1 15 15 ASP HB3 H 1 3.040 0.020 . 2 . . . . 1480 ASP HB3 . 19322 1 43 . 1 1 15 15 ASP N N 15 121.712 0.200 . 1 . . . . 1480 ASP N . 19322 1 44 . 1 1 16 16 GLY H H 1 7.166 0.020 . 1 . . . . 1481 GLY H . 19322 1 45 . 1 1 16 16 GLY HA2 H 1 3.664 0.020 . 2 . . . . 1481 GLY HA2 . 19322 1 46 . 1 1 16 16 GLY HA3 H 1 4.715 0.020 . 2 . . . . 1481 GLY HA3 . 19322 1 47 . 1 1 16 16 GLY N N 15 105.497 0.200 . 1 . . . . 1481 GLY N . 19322 1 48 . 1 1 17 17 GLN H H 1 8.801 0.020 . 1 . . . . 1482 GLN H . 19322 1 49 . 1 1 17 17 GLN HA H 1 4.617 0.020 . 1 . . . . 1482 GLN HA . 19322 1 50 . 1 1 17 17 GLN N N 15 119.981 0.200 . 1 . . . . 1482 GLN N . 19322 1 51 . 1 1 18 18 CYS H H 1 8.937 0.020 . 1 . . . . 1483 CYS H . 19322 1 52 . 1 1 18 18 CYS HA H 1 5.283 0.020 . 1 . . . . 1483 CYS HA . 19322 1 53 . 1 1 18 18 CYS HB2 H 1 3.123 0.020 . 2 . . . . 1483 CYS HB2 . 19322 1 54 . 1 1 18 18 CYS HB3 H 1 2.669 0.020 . 2 . . . . 1483 CYS HB3 . 19322 1 55 . 1 1 18 18 CYS N N 15 127.055 0.200 . 1 . . . . 1483 CYS N . 19322 1 56 . 1 1 19 19 VAL H H 1 9.410 0.020 . 1 . . . . 1484 VAL H . 19322 1 57 . 1 1 19 19 VAL HA H 1 4.388 0.020 . 1 . . . . 1484 VAL HA . 19322 1 58 . 1 1 19 19 VAL HB H 1 2.050 0.020 . 1 . . . . 1484 VAL HB . 19322 1 59 . 1 1 19 19 VAL HG11 H 1 1.025 0.020 . 2 . . . . 1484 VAL HG11 . 19322 1 60 . 1 1 19 19 VAL HG12 H 1 1.025 0.020 . 2 . . . . 1484 VAL HG12 . 19322 1 61 . 1 1 19 19 VAL HG13 H 1 1.025 0.020 . 2 . . . . 1484 VAL HG13 . 19322 1 62 . 1 1 19 19 VAL HG21 H 1 1.019 0.020 . 2 . . . . 1484 VAL HG21 . 19322 1 63 . 1 1 19 19 VAL HG22 H 1 1.019 0.020 . 2 . . . . 1484 VAL HG22 . 19322 1 64 . 1 1 19 19 VAL HG23 H 1 1.019 0.020 . 2 . . . . 1484 VAL HG23 . 19322 1 65 . 1 1 19 19 VAL N N 15 129.669 0.200 . 1 . . . . 1484 VAL N . 19322 1 66 . 1 1 20 20 ASN H H 1 9.228 0.020 . 1 . . . . 1485 ASN H . 19322 1 67 . 1 1 20 20 ASN HA H 1 4.884 0.020 . 1 . . . . 1485 ASN HA . 19322 1 68 . 1 1 20 20 ASN HB2 H 1 2.996 0.020 . 2 . . . . 1485 ASN HB2 . 19322 1 69 . 1 1 20 20 ASN HB3 H 1 2.665 0.020 . 2 . . . . 1485 ASN HB3 . 19322 1 70 . 1 1 20 20 ASN N N 15 126.955 0.200 . 1 . . . . 1485 ASN N . 19322 1 71 . 1 1 21 21 THR H H 1 8.077 0.020 . 1 . . . . 1486 THR H . 19322 1 72 . 1 1 21 21 THR HA H 1 4.676 0.020 . 1 . . . . 1486 THR HA . 19322 1 73 . 1 1 21 21 THR HB H 1 4.289 0.020 . 1 . . . . 1486 THR HB . 19322 1 74 . 1 1 21 21 THR HG21 H 1 1.044 0.020 . 1 . . . . 1486 THR HG21 . 19322 1 75 . 1 1 21 21 THR HG22 H 1 1.044 0.020 . 1 . . . . 1486 THR HG22 . 19322 1 76 . 1 1 21 21 THR HG23 H 1 1.044 0.020 . 1 . . . . 1486 THR HG23 . 19322 1 77 . 1 1 21 21 THR N N 15 117.236 0.200 . 1 . . . . 1486 THR N . 19322 1 78 . 1 1 22 22 GLU H H 1 8.829 0.020 . 1 . . . . 1487 GLU H . 19322 1 79 . 1 1 22 22 GLU HA H 1 4.014 0.020 . 1 . . . . 1487 GLU HA . 19322 1 80 . 1 1 22 22 GLU N N 15 122.456 0.200 . 1 . . . . 1487 GLU N . 19322 1 81 . 1 1 23 23 GLY H H 1 9.023 0.020 . 1 . . . . 1488 GLY H . 19322 1 82 . 1 1 23 23 GLY HA2 H 1 4.176 0.020 . 2 . . . . 1488 GLY HA2 . 19322 1 83 . 1 1 23 23 GLY HA3 H 1 3.884 0.020 . 2 . . . . 1488 GLY HA3 . 19322 1 84 . 1 1 23 23 GLY N N 15 115.269 0.200 . 1 . . . . 1488 GLY N . 19322 1 85 . 1 1 24 24 SER H H 1 7.045 0.020 . 1 . . . . 1489 SER H . 19322 1 86 . 1 1 24 24 SER HA H 1 4.609 0.020 . 1 . . . . 1489 SER HA . 19322 1 87 . 1 1 24 24 SER HB2 H 1 3.576 0.020 . 2 . . . . 1489 SER HB2 . 19322 1 88 . 1 1 24 24 SER HB3 H 1 3.892 0.020 . 2 . . . . 1489 SER HB3 . 19322 1 89 . 1 1 24 24 SER N N 15 114.700 0.200 . 1 . . . . 1489 SER N . 19322 1 90 . 1 1 25 25 TYR H H 1 8.979 0.020 . 1 . . . . 1490 TYR H . 19322 1 91 . 1 1 25 25 TYR HA H 1 5.040 0.020 . 1 . . . . 1490 TYR HA . 19322 1 92 . 1 1 25 25 TYR HB2 H 1 3.585 0.020 . 2 . . . . 1490 TYR HB2 . 19322 1 93 . 1 1 25 25 TYR HB3 H 1 2.945 0.020 . 2 . . . . 1490 TYR HB3 . 19322 1 94 . 1 1 25 25 TYR HD1 H 1 6.886 0.020 . 3 . . . . 1490 TYR HD1 . 19322 1 95 . 1 1 25 25 TYR HD2 H 1 6.886 0.020 . 3 . . . . 1490 TYR HD2 . 19322 1 96 . 1 1 25 25 TYR HE1 H 1 6.662 0.020 . 3 . . . . 1490 TYR HE1 . 19322 1 97 . 1 1 25 25 TYR HE2 H 1 6.662 0.020 . 3 . . . . 1490 TYR HE2 . 19322 1 98 . 1 1 25 25 TYR N N 15 119.588 0.200 . 1 . . . . 1490 TYR N . 19322 1 99 . 1 1 26 26 ASN H H 1 9.400 0.020 . 1 . . . . 1491 ASN H . 19322 1 100 . 1 1 26 26 ASN HA H 1 4.766 0.020 . 1 . . . . 1491 ASN HA . 19322 1 101 . 1 1 26 26 ASN HB2 H 1 2.266 0.020 . 2 . . . . 1491 ASN HB2 . 19322 1 102 . 1 1 26 26 ASN HB3 H 1 2.059 0.020 . 2 . . . . 1491 ASN HB3 . 19322 1 103 . 1 1 26 26 ASN N N 15 118.122 0.200 . 1 . . . . 1491 ASN N . 19322 1 104 . 1 1 27 27 CYS H H 1 8.345 0.020 . 1 . . . . 1492 CYS H . 19322 1 105 . 1 1 27 27 CYS HA H 1 5.333 0.020 . 1 . . . . 1492 CYS HA . 19322 1 106 . 1 1 27 27 CYS HB2 H 1 2.696 0.020 . 1 . . . . 1492 CYS HB2 . 19322 1 107 . 1 1 27 27 CYS N N 15 119.999 0.200 . 1 . . . . 1492 CYS N . 19322 1 108 . 1 1 28 28 PHE H H 1 8.950 0.020 . 1 . . . . 1493 PHE H . 19322 1 109 . 1 1 28 28 PHE HA H 1 4.884 0.020 . 1 . . . . 1493 PHE HA . 19322 1 110 . 1 1 28 28 PHE HB2 H 1 2.961 0.020 . 2 . . . . 1493 PHE HB2 . 19322 1 111 . 1 1 28 28 PHE HB3 H 1 3.163 0.020 . 2 . . . . 1493 PHE HB3 . 19322 1 112 . 1 1 28 28 PHE N N 15 124.142 0.200 . 1 . . . . 1493 PHE N . 19322 1 113 . 1 1 29 29 CYS H H 1 8.787 0.020 . 1 . . . . 1494 CYS H . 19322 1 114 . 1 1 29 29 CYS HA H 1 5.117 0.020 . 1 . . . . 1494 CYS HA . 19322 1 115 . 1 1 29 29 CYS HB2 H 1 2.665 0.020 . 2 . . . . 1494 CYS HB2 . 19322 1 116 . 1 1 29 29 CYS HB3 H 1 2.353 0.020 . 2 . . . . 1494 CYS HB3 . 19322 1 117 . 1 1 29 29 CYS N N 15 121.736 0.200 . 1 . . . . 1494 CYS N . 19322 1 118 . 1 1 30 30 THR H H 1 9.149 0.020 . 1 . . . . 1495 THR H . 19322 1 119 . 1 1 30 30 THR HA H 1 4.278 0.020 . 1 . . . . 1495 THR HA . 19322 1 120 . 1 1 30 30 THR HB H 1 3.989 0.020 . 1 . . . . 1495 THR HB . 19322 1 121 . 1 1 30 30 THR HG21 H 1 1.307 0.020 . 1 . . . . 1495 THR HG21 . 19322 1 122 . 1 1 30 30 THR HG22 H 1 1.307 0.020 . 1 . . . . 1495 THR HG22 . 19322 1 123 . 1 1 30 30 THR HG23 H 1 1.307 0.020 . 1 . . . . 1495 THR HG23 . 19322 1 124 . 1 1 30 30 THR N N 15 121.363 0.200 . 1 . . . . 1495 THR N . 19322 1 125 . 1 1 31 31 HIS H H 1 8.988 0.020 . 1 . . . . 1496 HIS H . 19322 1 126 . 1 1 31 31 HIS HA H 1 4.752 0.020 . 1 . . . . 1496 HIS HA . 19322 1 127 . 1 1 31 31 HIS HB2 H 1 3.089 0.020 . 2 . . . . 1496 HIS HB2 . 19322 1 128 . 1 1 31 31 HIS HB3 H 1 3.236 0.020 . 2 . . . . 1496 HIS HB3 . 19322 1 129 . 1 1 31 31 HIS N N 15 128.846 0.200 . 1 . . . . 1496 HIS N . 19322 1 130 . 1 1 32 32 PRO HA H 1 3.726 0.020 . 1 . . . . 1497 PRO HA . 19322 1 131 . 1 1 33 33 MET H H 1 8.868 0.020 . 1 . . . . 1498 MET H . 19322 1 132 . 1 1 33 33 MET HA H 1 4.543 0.020 . 1 . . . . 1498 MET HA . 19322 1 133 . 1 1 33 33 MET HB2 H 1 2.183 0.020 . 1 . . . . 1498 MET HB2 . 19322 1 134 . 1 1 33 33 MET HG3 H 1 2.673 0.020 . 1 . . . . 1498 MET HG3 . 19322 1 135 . 1 1 33 33 MET N N 15 123.201 0.200 . 1 . . . . 1498 MET N . 19322 1 136 . 1 1 34 34 VAL H H 1 8.808 0.020 . 1 . . . . 1499 VAL H . 19322 1 137 . 1 1 34 34 VAL HA H 1 4.524 0.020 . 1 . . . . 1499 VAL HA . 19322 1 138 . 1 1 34 34 VAL HB H 1 2.122 0.020 . 1 . . . . 1499 VAL HB . 19322 1 139 . 1 1 34 34 VAL HG11 H 1 0.737 0.020 . 2 . . . . 1499 VAL HG11 . 19322 1 140 . 1 1 34 34 VAL HG12 H 1 0.737 0.020 . 2 . . . . 1499 VAL HG12 . 19322 1 141 . 1 1 34 34 VAL HG13 H 1 0.737 0.020 . 2 . . . . 1499 VAL HG13 . 19322 1 142 . 1 1 34 34 VAL HG21 H 1 0.888 0.020 . 2 . . . . 1499 VAL HG21 . 19322 1 143 . 1 1 34 34 VAL HG22 H 1 0.888 0.020 . 2 . . . . 1499 VAL HG22 . 19322 1 144 . 1 1 34 34 VAL HG23 H 1 0.888 0.020 . 2 . . . . 1499 VAL HG23 . 19322 1 145 . 1 1 34 34 VAL N N 15 113.496 0.200 . 1 . . . . 1499 VAL N . 19322 1 146 . 1 1 37 37 ALA H H 1 8.041 0.020 . 1 . . . . 1502 ALA H . 19322 1 147 . 1 1 37 37 ALA HB1 H 1 1.403 0.020 . 1 . . . . 1502 ALA HB1 . 19322 1 148 . 1 1 37 37 ALA HB2 H 1 1.403 0.020 . 1 . . . . 1502 ALA HB2 . 19322 1 149 . 1 1 37 37 ALA HB3 H 1 1.403 0.020 . 1 . . . . 1502 ALA HB3 . 19322 1 150 . 1 1 37 37 ALA N N 15 115.735 0.200 . 1 . . . . 1502 ALA N . 19322 1 151 . 1 1 38 38 SER H H 1 7.106 0.020 . 1 . . . . 1503 SER H . 19322 1 152 . 1 1 38 38 SER HA H 1 4.879 0.020 . 1 . . . . 1503 SER HA . 19322 1 153 . 1 1 38 38 SER N N 15 117.864 0.200 . 1 . . . . 1503 SER N . 19322 1 154 . 1 1 39 39 GLU H H 1 8.329 0.020 . 1 . . . . 1504 GLU H . 19322 1 155 . 1 1 39 39 GLU HA H 1 5.134 0.020 . 1 . . . . 1504 GLU HA . 19322 1 156 . 1 1 39 39 GLU N N 15 123.687 0.200 . 1 . . . . 1504 GLU N . 19322 1 157 . 1 1 40 40 LYS H H 1 9.681 0.020 . 1 . . . . 1505 LYS H . 19322 1 158 . 1 1 40 40 LYS HA H 1 4.674 0.020 . 1 . . . . 1505 LYS HA . 19322 1 159 . 1 1 40 40 LYS N N 15 118.294 0.200 . 1 . . . . 1505 LYS N . 19322 1 160 . 1 1 46 46 ALA H H 1 8.389 0.020 . 1 . . . . 1511 ALA H . 19322 1 161 . 1 1 46 46 ALA HA H 1 4.251 0.020 . 1 . . . . 1511 ALA HA . 19322 1 162 . 1 1 46 46 ALA HB1 H 1 1.389 0.020 . 1 . . . . 1511 ALA HB1 . 19322 1 163 . 1 1 46 46 ALA HB2 H 1 1.389 0.020 . 1 . . . . 1511 ALA HB2 . 19322 1 164 . 1 1 46 46 ALA HB3 H 1 1.389 0.020 . 1 . . . . 1511 ALA HB3 . 19322 1 165 . 1 1 46 46 ALA N N 15 123.758 0.200 . 1 . . . . 1511 ALA N . 19322 1 166 . 1 1 47 47 GLU H H 1 8.419 0.020 . 1 . . . . 1512 GLU H . 19322 1 167 . 1 1 47 47 GLU HA H 1 4.317 0.020 . 1 . . . . 1512 GLU HA . 19322 1 168 . 1 1 47 47 GLU N N 15 119.659 0.200 . 1 . . . . 1512 GLU N . 19322 1 169 . 1 1 48 48 SER H H 1 8.301 0.020 . 1 . . . . 1513 SER H . 19322 1 170 . 1 1 48 48 SER HA H 1 4.451 0.020 . 1 . . . . 1513 SER HA . 19322 1 171 . 1 1 48 48 SER N N 15 116.667 0.200 . 1 . . . . 1513 SER N . 19322 1 172 . 1 1 49 49 ASN H H 1 8.505 0.020 . 1 . . . . 1514 ASN H . 19322 1 173 . 1 1 49 49 ASN HB3 H 1 2.794 0.020 . 1 . . . . 1514 ASN HB3 . 19322 1 174 . 1 1 49 49 ASN N N 15 120.964 0.200 . 1 . . . . 1514 ASN N . 19322 1 175 . 1 1 50 50 GLU H H 1 8.353 0.020 . 1 . . . . 1515 GLU H . 19322 1 176 . 1 1 50 50 GLU HA H 1 4.255 0.020 . 1 . . . . 1515 GLU HA . 19322 1 177 . 1 1 50 50 GLU N N 15 120.791 0.200 . 1 . . . . 1515 GLU N . 19322 1 178 . 1 1 51 51 GLN H H 1 8.354 0.020 . 1 . . . . 1516 GLN H . 19322 1 179 . 1 1 51 51 GLN HA H 1 4.333 0.020 . 1 . . . . 1516 GLN HA . 19322 1 180 . 1 1 51 51 GLN N N 15 121.075 0.200 . 1 . . . . 1516 GLN N . 19322 1 181 . 1 1 52 52 ILE H H 1 8.142 0.020 . 1 . . . . 1517 ILE H . 19322 1 182 . 1 1 52 52 ILE HA H 1 4.150 0.020 . 1 . . . . 1517 ILE HA . 19322 1 183 . 1 1 52 52 ILE N N 15 122.211 0.200 . 1 . . . . 1517 ILE N . 19322 1 184 . 1 1 53 53 GLU H H 1 8.477 0.020 . 1 . . . . 1518 GLU H . 19322 1 185 . 1 1 53 53 GLU HA H 1 4.323 0.020 . 1 . . . . 1518 GLU HA . 19322 1 186 . 1 1 53 53 GLU N N 15 124.507 0.200 . 1 . . . . 1518 GLU N . 19322 1 187 . 1 1 54 54 GLU H H 1 8.503 0.020 . 1 . . . . 1519 GLU H . 19322 1 188 . 1 1 54 54 GLU HA H 1 4.318 0.020 . 1 . . . . 1519 GLU HA . 19322 1 189 . 1 1 54 54 GLU N N 15 122.354 0.200 . 1 . . . . 1519 GLU N . 19322 1 190 . 1 1 55 55 THR H H 1 8.142 0.020 . 1 . . . . 1520 THR H . 19322 1 191 . 1 1 55 55 THR HA H 1 4.338 0.020 . 1 . . . . 1520 THR HA . 19322 1 192 . 1 1 55 55 THR HG21 H 1 1.191 0.020 . 1 . . . . 1520 THR HG21 . 19322 1 193 . 1 1 55 55 THR HG22 H 1 1.191 0.020 . 1 . . . . 1520 THR HG22 . 19322 1 194 . 1 1 55 55 THR HG23 H 1 1.191 0.020 . 1 . . . . 1520 THR HG23 . 19322 1 195 . 1 1 55 55 THR N N 15 114.923 0.200 . 1 . . . . 1520 THR N . 19322 1 196 . 1 1 56 56 ASP H H 1 8.413 0.020 . 1 . . . . 1521 ASP H . 19322 1 197 . 1 1 56 56 ASP HA H 1 4.708 0.020 . 1 . . . . 1521 ASP HA . 19322 1 198 . 1 1 56 56 ASP N N 15 122.547 0.200 . 1 . . . . 1521 ASP N . 19322 1 199 . 1 1 57 57 VAL H H 1 7.948 0.020 . 1 . . . . 1522 VAL H . 19322 1 200 . 1 1 57 57 VAL HA H 1 4.186 0.020 . 1 . . . . 1522 VAL HA . 19322 1 201 . 1 1 57 57 VAL N N 15 118.657 0.200 . 1 . . . . 1522 VAL N . 19322 1 202 . 1 1 58 58 TYR H H 1 8.267 0.020 . 1 . . . . 1523 TYR H . 19322 1 203 . 1 1 58 58 TYR HA H 1 4.676 0.020 . 1 . . . . 1523 TYR HA . 19322 1 204 . 1 1 58 58 TYR N N 15 123.934 0.200 . 1 . . . . 1523 TYR N . 19322 1 205 . 1 1 59 59 GLN H H 1 8.053 0.020 . 1 . . . . 1524 GLN H . 19322 1 206 . 1 1 59 59 GLN HA H 1 5.013 0.020 . 1 . . . . 1524 GLN HA . 19322 1 207 . 1 1 59 59 GLN N N 15 120.525 0.200 . 1 . . . . 1524 GLN N . 19322 1 208 . 1 1 60 60 ASP H H 1 9.406 0.020 . 1 . . . . 1525 ASP H . 19322 1 209 . 1 1 60 60 ASP HA H 1 4.697 0.020 . 1 . . . . 1525 ASP HA . 19322 1 210 . 1 1 60 60 ASP N N 15 119.965 0.200 . 1 . . . . 1525 ASP N . 19322 1 211 . 1 1 61 61 LEU H H 1 9.403 0.020 . 1 . . . . 1526 LEU H . 19322 1 212 . 1 1 61 61 LEU HA H 1 4.137 0.020 . 1 . . . . 1526 LEU HA . 19322 1 213 . 1 1 61 61 LEU N N 15 121.493 0.200 . 1 . . . . 1526 LEU N . 19322 1 214 . 1 1 62 62 CYS H H 1 9.213 0.020 . 1 . . . . 1527 CYS H . 19322 1 215 . 1 1 62 62 CYS HA H 1 5.319 0.020 . 1 . . . . 1527 CYS HA . 19322 1 216 . 1 1 62 62 CYS HB2 H 1 3.585 0.020 . 2 . . . . 1527 CYS HB2 . 19322 1 217 . 1 1 62 62 CYS HB3 H 1 2.637 0.020 . 2 . . . . 1527 CYS HB3 . 19322 1 218 . 1 1 62 62 CYS N N 15 120.561 0.200 . 1 . . . . 1527 CYS N . 19322 1 219 . 1 1 63 63 TRP H H 1 8.733 0.020 . 1 . . . . 1528 TRP H . 19322 1 220 . 1 1 63 63 TRP HA H 1 4.652 0.020 . 1 . . . . 1528 TRP HA . 19322 1 221 . 1 1 63 63 TRP HB2 H 1 2.854 0.020 . 2 . . . . 1528 TRP HB2 . 19322 1 222 . 1 1 63 63 TRP HB3 H 1 3.410 0.020 . 2 . . . . 1528 TRP HB3 . 19322 1 223 . 1 1 63 63 TRP HD1 H 1 7.153 0.020 . 1 . . . . 1528 TRP HD1 . 19322 1 224 . 1 1 63 63 TRP HE1 H 1 9.579 0.020 . 1 . . . . 1528 TRP HE1 . 19322 1 225 . 1 1 63 63 TRP HZ2 H 1 7.544 0.020 . 1 . . . . 1528 TRP HZ2 . 19322 1 226 . 1 1 63 63 TRP HH2 H 1 7.164 0.020 . 1 . . . . 1528 TRP HH2 . 19322 1 227 . 1 1 63 63 TRP N N 15 127.985 0.200 . 1 . . . . 1528 TRP N . 19322 1 228 . 1 1 63 63 TRP NE1 N 15 130.385 0.200 . 1 . . . . 1528 TRP NE1 . 19322 1 229 . 1 1 64 64 GLU H H 1 9.254 0.020 . 1 . . . . 1529 GLU H . 19322 1 230 . 1 1 64 64 GLU HA H 1 4.337 0.020 . 1 . . . . 1529 GLU HA . 19322 1 231 . 1 1 64 64 GLU HB2 H 1 2.380 0.020 . 1 . . . . 1529 GLU HB2 . 19322 1 232 . 1 1 64 64 GLU N N 15 121.650 0.200 . 1 . . . . 1529 GLU N . 19322 1 233 . 1 1 65 65 HIS H H 1 8.216 0.020 . 1 . . . . 1530 HIS H . 19322 1 234 . 1 1 65 65 HIS HA H 1 5.029 0.020 . 1 . . . . 1530 HIS HA . 19322 1 235 . 1 1 65 65 HIS HB2 H 1 3.202 0.020 . 2 . . . . 1530 HIS HB2 . 19322 1 236 . 1 1 65 65 HIS HB3 H 1 2.778 0.020 . 2 . . . . 1530 HIS HB3 . 19322 1 237 . 1 1 65 65 HIS N N 15 114.253 0.200 . 1 . . . . 1530 HIS N . 19322 1 238 . 1 1 66 66 LEU H H 1 8.062 0.020 . 1 . . . . 1531 LEU H . 19322 1 239 . 1 1 66 66 LEU HA H 1 4.745 0.020 . 1 . . . . 1531 LEU HA . 19322 1 240 . 1 1 66 66 LEU N N 15 126.274 0.200 . 1 . . . . 1531 LEU N . 19322 1 241 . 1 1 67 67 SER H H 1 8.449 0.020 . 1 . . . . 1532 SER H . 19322 1 242 . 1 1 67 67 SER HA H 1 4.508 0.020 . 1 . . . . 1532 SER HA . 19322 1 243 . 1 1 67 67 SER N N 15 119.573 0.200 . 1 . . . . 1532 SER N . 19322 1 244 . 1 1 68 68 ASP H H 1 8.896 0.020 . 1 . . . . 1533 ASP H . 19322 1 245 . 1 1 68 68 ASP HA H 1 4.205 0.020 . 1 . . . . 1533 ASP HA . 19322 1 246 . 1 1 68 68 ASP HB2 H 1 2.674 0.020 . 1 . . . . 1533 ASP HB2 . 19322 1 247 . 1 1 68 68 ASP N N 15 120.500 0.200 . 1 . . . . 1533 ASP N . 19322 1 248 . 1 1 69 69 GLU H H 1 7.512 0.020 . 1 . . . . 1534 GLU H . 19322 1 249 . 1 1 69 69 GLU HA H 1 4.168 0.020 . 1 . . . . 1534 GLU HA . 19322 1 250 . 1 1 69 69 GLU HB2 H 1 2.169 0.020 . 2 . . . . 1534 GLU HB2 . 19322 1 251 . 1 1 69 69 GLU HB3 H 1 1.686 0.020 . 2 . . . . 1534 GLU HB3 . 19322 1 252 . 1 1 69 69 GLU N N 15 116.305 0.200 . 1 . . . . 1534 GLU N . 19322 1 253 . 1 1 70 70 TYR H H 1 7.742 0.020 . 1 . . . . 1535 TYR H . 19322 1 254 . 1 1 70 70 TYR HA H 1 3.767 0.020 . 1 . . . . 1535 TYR HA . 19322 1 255 . 1 1 70 70 TYR HB2 H 1 3.235 0.020 . 2 . . . . 1535 TYR HB2 . 19322 1 256 . 1 1 70 70 TYR HB3 H 1 3.151 0.020 . 2 . . . . 1535 TYR HB3 . 19322 1 257 . 1 1 70 70 TYR HD1 H 1 6.969 0.020 . 3 . . . . 1535 TYR HD1 . 19322 1 258 . 1 1 70 70 TYR HD2 H 1 6.969 0.020 . 3 . . . . 1535 TYR HD2 . 19322 1 259 . 1 1 70 70 TYR HE1 H 1 6.846 0.020 . 3 . . . . 1535 TYR HE1 . 19322 1 260 . 1 1 70 70 TYR HE2 H 1 6.846 0.020 . 3 . . . . 1535 TYR HE2 . 19322 1 261 . 1 1 70 70 TYR N N 15 115.145 0.200 . 1 . . . . 1535 TYR N . 19322 1 262 . 1 1 71 71 VAL H H 1 7.403 0.020 . 1 . . . . 1536 VAL H . 19322 1 263 . 1 1 71 71 VAL HA H 1 4.043 0.020 . 1 . . . . 1536 VAL HA . 19322 1 264 . 1 1 71 71 VAL N N 15 117.353 0.200 . 1 . . . . 1536 VAL N . 19322 1 265 . 1 1 72 72 CYS H H 1 8.455 0.020 . 1 . . . . 1537 CYS H . 19322 1 266 . 1 1 72 72 CYS HA H 1 4.483 0.020 . 1 . . . . 1537 CYS HA . 19322 1 267 . 1 1 72 72 CYS N N 15 129.976 0.200 . 1 . . . . 1537 CYS N . 19322 1 268 . 1 1 73 73 SER H H 1 8.920 0.020 . 1 . . . . 1538 SER H . 19322 1 269 . 1 1 73 73 SER HA H 1 4.622 0.020 . 1 . . . . 1538 SER HA . 19322 1 270 . 1 1 73 73 SER HB2 H 1 3.879 0.020 . 2 . . . . 1538 SER HB2 . 19322 1 271 . 1 1 73 73 SER HB3 H 1 3.948 0.020 . 2 . . . . 1538 SER HB3 . 19322 1 272 . 1 1 73 73 SER N N 15 115.446 0.200 . 1 . . . . 1538 SER N . 19322 1 273 . 1 1 74 74 ARG H H 1 9.181 0.020 . 1 . . . . 1539 ARG H . 19322 1 274 . 1 1 74 74 ARG HA H 1 4.231 0.020 . 1 . . . . 1539 ARG HA . 19322 1 275 . 1 1 74 74 ARG N N 15 113.690 0.200 . 1 . . . . 1539 ARG N . 19322 1 276 . 1 1 76 76 LEU H H 1 8.462 0.020 . 1 . . . . 1541 LEU H . 19322 1 277 . 1 1 76 76 LEU HA H 1 4.345 0.020 . 1 . . . . 1541 LEU HA . 19322 1 278 . 1 1 76 76 LEU N N 15 122.968 0.200 . 1 . . . . 1541 LEU N . 19322 1 279 . 1 1 77 77 VAL H H 1 8.070 0.020 . 1 . . . . 1542 VAL H . 19322 1 280 . 1 1 77 77 VAL HA H 1 3.665 0.020 . 1 . . . . 1542 VAL HA . 19322 1 281 . 1 1 77 77 VAL N N 15 125.082 0.200 . 1 . . . . 1542 VAL N . 19322 1 282 . 1 1 78 78 GLY H H 1 8.624 0.020 . 1 . . . . 1543 GLY H . 19322 1 283 . 1 1 78 78 GLY HA2 H 1 4.001 0.020 . 2 . . . . 1543 GLY HA2 . 19322 1 284 . 1 1 78 78 GLY HA3 H 1 3.661 0.020 . 2 . . . . 1543 GLY HA3 . 19322 1 285 . 1 1 78 78 GLY N N 15 113.775 0.200 . 1 . . . . 1543 GLY N . 19322 1 286 . 1 1 79 79 LYS H H 1 7.031 0.020 . 1 . . . . 1544 LYS H . 19322 1 287 . 1 1 79 79 LYS HA H 1 4.506 0.020 . 1 . . . . 1544 LYS HA . 19322 1 288 . 1 1 79 79 LYS N N 15 118.255 0.200 . 1 . . . . 1544 LYS N . 19322 1 289 . 1 1 80 80 GLN H H 1 8.578 0.020 . 1 . . . . 1545 GLN H . 19322 1 290 . 1 1 80 80 GLN HA H 1 4.348 0.020 . 1 . . . . 1545 GLN HA . 19322 1 291 . 1 1 80 80 GLN N N 15 123.829 0.200 . 1 . . . . 1545 GLN N . 19322 1 292 . 1 1 81 81 THR H H 1 9.095 0.020 . 1 . . . . 1546 THR H . 19322 1 293 . 1 1 81 81 THR HA H 1 5.334 0.020 . 1 . . . . 1546 THR HA . 19322 1 294 . 1 1 81 81 THR N N 15 110.805 0.200 . 1 . . . . 1546 THR N . 19322 1 295 . 1 1 82 82 THR H H 1 9.086 0.020 . 1 . . . . 1547 THR H . 19322 1 296 . 1 1 82 82 THR HA H 1 5.061 0.020 . 1 . . . . 1547 THR HA . 19322 1 297 . 1 1 82 82 THR N N 15 115.888 0.200 . 1 . . . . 1547 THR N . 19322 1 298 . 1 1 83 83 TYR H H 1 8.631 0.020 . 1 . . . . 1548 TYR H . 19322 1 299 . 1 1 83 83 TYR HA H 1 4.676 0.020 . 1 . . . . 1548 TYR HA . 19322 1 300 . 1 1 83 83 TYR HD1 H 1 6.739 0.020 . 3 . . . . 1548 TYR HD1 . 19322 1 301 . 1 1 83 83 TYR HD2 H 1 6.739 0.020 . 3 . . . . 1548 TYR HD2 . 19322 1 302 . 1 1 83 83 TYR HE1 H 1 6.561 0.020 . 3 . . . . 1548 TYR HE1 . 19322 1 303 . 1 1 83 83 TYR HE2 H 1 6.561 0.020 . 3 . . . . 1548 TYR HE2 . 19322 1 304 . 1 1 83 83 TYR N N 15 124.915 0.200 . 1 . . . . 1548 TYR N . 19322 1 305 . 1 1 84 84 THR H H 1 7.802 0.020 . 1 . . . . 1549 THR H . 19322 1 306 . 1 1 84 84 THR HA H 1 3.276 0.020 . 1 . . . . 1549 THR HA . 19322 1 307 . 1 1 84 84 THR HB H 1 3.857 0.020 . 1 . . . . 1549 THR HB . 19322 1 308 . 1 1 84 84 THR N N 15 113.273 0.200 . 1 . . . . 1549 THR N . 19322 1 309 . 1 1 85 85 GLU H H 1 7.487 0.020 . 1 . . . . 1550 GLU H . 19322 1 310 . 1 1 85 85 GLU HA H 1 3.750 0.020 . 1 . . . . 1550 GLU HA . 19322 1 311 . 1 1 85 85 GLU N N 15 120.360 0.200 . 1 . . . . 1550 GLU N . 19322 1 312 . 1 1 86 86 CYS H H 1 8.331 0.020 . 1 . . . . 1551 CYS H . 19322 1 313 . 1 1 86 86 CYS N N 15 114.473 0.200 . 1 . . . . 1551 CYS N . 19322 1 314 . 1 1 87 87 CYS H H 1 8.422 0.020 . 1 . . . . 1552 CYS H . 19322 1 315 . 1 1 87 87 CYS HA H 1 4.632 0.020 . 1 . . . . 1552 CYS HA . 19322 1 316 . 1 1 87 87 CYS N N 15 115.033 0.200 . 1 . . . . 1552 CYS N . 19322 1 317 . 1 1 88 88 CYS H H 1 8.482 0.020 . 1 . . . . 1553 CYS H . 19322 1 318 . 1 1 88 88 CYS HA H 1 4.803 0.020 . 1 . . . . 1553 CYS HA . 19322 1 319 . 1 1 88 88 CYS HB2 H 1 2.665 0.020 . 2 . . . . 1553 CYS HB2 . 19322 1 320 . 1 1 88 88 CYS HB3 H 1 2.849 0.020 . 2 . . . . 1553 CYS HB3 . 19322 1 321 . 1 1 88 88 CYS N N 15 115.341 0.200 . 1 . . . . 1553 CYS N . 19322 1 322 . 1 1 89 89 LEU H H 1 7.649 0.020 . 1 . . . . 1554 LEU H . 19322 1 323 . 1 1 89 89 LEU HA H 1 4.526 0.020 . 1 . . . . 1554 LEU HA . 19322 1 324 . 1 1 89 89 LEU N N 15 116.638 0.200 . 1 . . . . 1554 LEU N . 19322 1 325 . 1 1 90 90 TYR H H 1 7.608 0.020 . 1 . . . . 1555 TYR H . 19322 1 326 . 1 1 90 90 TYR HA H 1 5.137 0.020 . 1 . . . . 1555 TYR HA . 19322 1 327 . 1 1 90 90 TYR HB2 H 1 3.281 0.020 . 2 . . . . 1555 TYR HB2 . 19322 1 328 . 1 1 90 90 TYR HB3 H 1 3.114 0.020 . 2 . . . . 1555 TYR HB3 . 19322 1 329 . 1 1 90 90 TYR HD1 H 1 7.043 0.020 . 3 . . . . 1555 TYR HD1 . 19322 1 330 . 1 1 90 90 TYR HD2 H 1 7.043 0.020 . 3 . . . . 1555 TYR HD2 . 19322 1 331 . 1 1 90 90 TYR HE1 H 1 6.768 0.020 . 3 . . . . 1555 TYR HE1 . 19322 1 332 . 1 1 90 90 TYR HE2 H 1 6.768 0.020 . 3 . . . . 1555 TYR HE2 . 19322 1 333 . 1 1 90 90 TYR N N 15 115.830 0.200 . 1 . . . . 1555 TYR N . 19322 1 334 . 1 1 91 91 GLY H H 1 9.017 0.020 . 1 . . . . 1556 GLY H . 19322 1 335 . 1 1 91 91 GLY HA2 H 1 3.894 0.020 . 2 . . . . 1556 GLY HA2 . 19322 1 336 . 1 1 91 91 GLY HA3 H 1 4.816 0.020 . 2 . . . . 1556 GLY HA3 . 19322 1 337 . 1 1 91 91 GLY N N 15 108.506 0.200 . 1 . . . . 1556 GLY N . 19322 1 338 . 1 1 92 92 GLU H H 1 8.430 0.020 . 1 . . . . 1557 GLU H . 19322 1 339 . 1 1 92 92 GLU HA H 1 4.396 0.020 . 1 . . . . 1557 GLU HA . 19322 1 340 . 1 1 92 92 GLU N N 15 115.394 0.200 . 1 . . . . 1557 GLU N . 19322 1 341 . 1 1 93 93 ALA H H 1 8.314 0.020 . 1 . . . . 1558 ALA H . 19322 1 342 . 1 1 93 93 ALA HA H 1 5.152 0.020 . 1 . . . . 1558 ALA HA . 19322 1 343 . 1 1 93 93 ALA HB1 H 1 1.456 0.020 . 1 . . . . 1558 ALA HB1 . 19322 1 344 . 1 1 93 93 ALA HB2 H 1 1.456 0.020 . 1 . . . . 1558 ALA HB2 . 19322 1 345 . 1 1 93 93 ALA HB3 H 1 1.456 0.020 . 1 . . . . 1558 ALA HB3 . 19322 1 346 . 1 1 93 93 ALA N N 15 120.994 0.200 . 1 . . . . 1558 ALA N . 19322 1 347 . 1 1 94 94 TRP H H 1 9.766 0.020 . 1 . . . . 1559 TRP H . 19322 1 348 . 1 1 94 94 TRP HA H 1 5.657 0.020 . 1 . . . . 1559 TRP HA . 19322 1 349 . 1 1 94 94 TRP HB2 H 1 3.404 0.020 . 2 . . . . 1559 TRP HB2 . 19322 1 350 . 1 1 94 94 TRP HB3 H 1 3.037 0.020 . 2 . . . . 1559 TRP HB3 . 19322 1 351 . 1 1 94 94 TRP HD1 H 1 6.863 0.020 . 1 . . . . 1559 TRP HD1 . 19322 1 352 . 1 1 94 94 TRP HE1 H 1 10.361 0.020 . 1 . . . . 1559 TRP HE1 . 19322 1 353 . 1 1 94 94 TRP HE3 H 1 7.162 0.020 . 1 . . . . 1559 TRP HE3 . 19322 1 354 . 1 1 94 94 TRP HZ2 H 1 7.281 0.020 . 1 . . . . 1559 TRP HZ2 . 19322 1 355 . 1 1 94 94 TRP HZ3 H 1 7.518 0.020 . 1 . . . . 1559 TRP HZ3 . 19322 1 356 . 1 1 94 94 TRP HH2 H 1 7.098 0.020 . 1 . . . . 1559 TRP HH2 . 19322 1 357 . 1 1 94 94 TRP N N 15 119.962 0.200 . 1 . . . . 1559 TRP N . 19322 1 358 . 1 1 94 94 TRP NE1 N 15 130.584 0.200 . 1 . . . . 1559 TRP NE1 . 19322 1 359 . 1 1 95 95 GLY H H 1 9.127 0.020 . 1 . . . . 1560 GLY H . 19322 1 360 . 1 1 95 95 GLY HA2 H 1 3.062 0.020 . 2 . . . . 1560 GLY HA2 . 19322 1 361 . 1 1 95 95 GLY HA3 H 1 3.619 0.020 . 2 . . . . 1560 GLY HA3 . 19322 1 362 . 1 1 95 95 GLY N N 15 114.614 0.200 . 1 . . . . 1560 GLY N . 19322 1 363 . 1 1 96 96 MET H H 1 8.762 0.020 . 1 . . . . 1561 MET H . 19322 1 364 . 1 1 96 96 MET HA H 1 4.546 0.020 . 1 . . . . 1561 MET HA . 19322 1 365 . 1 1 96 96 MET HB2 H 1 2.173 0.020 . 1 . . . . 1561 MET HB2 . 19322 1 366 . 1 1 96 96 MET N N 15 121.148 0.200 . 1 . . . . 1561 MET N . 19322 1 367 . 1 1 97 97 GLN H H 1 8.991 0.020 . 1 . . . . 1562 GLN H . 19322 1 368 . 1 1 97 97 GLN HA H 1 4.411 0.020 . 1 . . . . 1562 GLN HA . 19322 1 369 . 1 1 97 97 GLN N N 15 116.241 0.200 . 1 . . . . 1562 GLN N . 19322 1 370 . 1 1 98 98 CYS H H 1 8.230 0.020 . 1 . . . . 1563 CYS H . 19322 1 371 . 1 1 98 98 CYS HA H 1 3.663 0.020 . 1 . . . . 1563 CYS HA . 19322 1 372 . 1 1 98 98 CYS HB2 H 1 3.379 0.020 . 2 . . . . 1563 CYS HB2 . 19322 1 373 . 1 1 98 98 CYS HB3 H 1 2.360 0.020 . 2 . . . . 1563 CYS HB3 . 19322 1 374 . 1 1 98 98 CYS N N 15 122.749 0.200 . 1 . . . . 1563 CYS N . 19322 1 375 . 1 1 99 99 ALA H H 1 8.838 0.020 . 1 . . . . 1564 ALA H . 19322 1 376 . 1 1 99 99 ALA HA H 1 4.537 0.020 . 1 . . . . 1564 ALA HA . 19322 1 377 . 1 1 99 99 ALA HB1 H 1 1.774 0.020 . 1 . . . . 1564 ALA HB1 . 19322 1 378 . 1 1 99 99 ALA HB2 H 1 1.774 0.020 . 1 . . . . 1564 ALA HB2 . 19322 1 379 . 1 1 99 99 ALA HB3 H 1 1.774 0.020 . 1 . . . . 1564 ALA HB3 . 19322 1 380 . 1 1 99 99 ALA N N 15 122.998 0.200 . 1 . . . . 1564 ALA N . 19322 1 381 . 1 1 100 100 LEU H H 1 8.509 0.020 . 1 . . . . 1565 LEU H . 19322 1 382 . 1 1 100 100 LEU HA H 1 4.212 0.020 . 1 . . . . 1565 LEU HA . 19322 1 383 . 1 1 100 100 LEU N N 15 122.119 0.200 . 1 . . . . 1565 LEU N . 19322 1 384 . 1 1 101 101 CYS H H 1 7.631 0.020 . 1 . . . . 1566 CYS H . 19322 1 385 . 1 1 101 101 CYS HA H 1 5.116 0.020 . 1 . . . . 1566 CYS HA . 19322 1 386 . 1 1 101 101 CYS HB2 H 1 2.575 0.020 . 2 . . . . 1566 CYS HB2 . 19322 1 387 . 1 1 101 101 CYS HB3 H 1 2.988 0.020 . 2 . . . . 1566 CYS HB3 . 19322 1 388 . 1 1 101 101 CYS N N 15 121.411 0.200 . 1 . . . . 1566 CYS N . 19322 1 389 . 1 1 103 103 LEU H H 1 8.602 0.020 . 1 . . . . 1568 LEU H . 19322 1 390 . 1 1 103 103 LEU HA H 1 4.184 0.020 . 1 . . . . 1568 LEU HA . 19322 1 391 . 1 1 103 103 LEU N N 15 121.287 0.200 . 1 . . . . 1568 LEU N . 19322 1 392 . 1 1 104 104 LYS H H 1 8.589 0.020 . 1 . . . . 1569 LYS H . 19322 1 393 . 1 1 104 104 LYS N N 15 122.713 0.200 . 1 . . . . 1569 LYS N . 19322 1 394 . 1 1 105 105 ASP H H 1 7.579 0.020 . 1 . . . . 1570 ASP H . 19322 1 395 . 1 1 105 105 ASP HA H 1 4.517 0.020 . 1 . . . . 1570 ASP HA . 19322 1 396 . 1 1 105 105 ASP HB2 H 1 2.685 0.020 . 2 . . . . 1570 ASP HB2 . 19322 1 397 . 1 1 105 105 ASP HB3 H 1 2.812 0.020 . 2 . . . . 1570 ASP HB3 . 19322 1 398 . 1 1 105 105 ASP N N 15 115.564 0.200 . 1 . . . . 1570 ASP N . 19322 1 399 . 1 1 106 106 SER H H 1 7.895 0.020 . 1 . . . . 1571 SER H . 19322 1 400 . 1 1 106 106 SER HA H 1 4.659 0.020 . 1 . . . . 1571 SER HA . 19322 1 401 . 1 1 106 106 SER N N 15 115.097 0.200 . 1 . . . . 1571 SER N . 19322 1 402 . 1 1 107 107 ASP H H 1 9.202 0.020 . 1 . . . . 1572 ASP H . 19322 1 403 . 1 1 107 107 ASP HA H 1 4.512 0.020 . 1 . . . . 1572 ASP HA . 19322 1 404 . 1 1 107 107 ASP HB2 H 1 2.722 0.020 . 1 . . . . 1572 ASP HB2 . 19322 1 405 . 1 1 107 107 ASP N N 15 124.038 0.200 . 1 . . . . 1572 ASP N . 19322 1 406 . 1 1 108 108 ASP H H 1 8.392 0.020 . 1 . . . . 1573 ASP H . 19322 1 407 . 1 1 108 108 ASP HA H 1 4.369 0.020 . 1 . . . . 1573 ASP HA . 19322 1 408 . 1 1 108 108 ASP HB2 H 1 2.675 0.020 . 1 . . . . 1573 ASP HB2 . 19322 1 409 . 1 1 108 108 ASP N N 15 118.431 0.200 . 1 . . . . 1573 ASP N . 19322 1 410 . 1 1 109 109 TYR H H 1 7.967 0.020 . 1 . . . . 1574 TYR H . 19322 1 411 . 1 1 109 109 TYR HA H 1 3.709 0.020 . 1 . . . . 1574 TYR HA . 19322 1 412 . 1 1 109 109 TYR HB2 H 1 2.844 0.020 . 2 . . . . 1574 TYR HB2 . 19322 1 413 . 1 1 109 109 TYR HB3 H 1 3.127 0.020 . 2 . . . . 1574 TYR HB3 . 19322 1 414 . 1 1 109 109 TYR HD1 H 1 6.893 0.020 . 3 . . . . 1574 TYR HD1 . 19322 1 415 . 1 1 109 109 TYR HD2 H 1 6.893 0.020 . 3 . . . . 1574 TYR HD2 . 19322 1 416 . 1 1 109 109 TYR HE1 H 1 6.835 0.020 . 3 . . . . 1574 TYR HE1 . 19322 1 417 . 1 1 109 109 TYR HE2 H 1 6.835 0.020 . 3 . . . . 1574 TYR HE2 . 19322 1 418 . 1 1 109 109 TYR N N 15 122.228 0.200 . 1 . . . . 1574 TYR N . 19322 1 419 . 1 1 110 110 ALA H H 1 7.703 0.020 . 1 . . . . 1575 ALA H . 19322 1 420 . 1 1 110 110 ALA HA H 1 3.972 0.020 . 1 . . . . 1575 ALA HA . 19322 1 421 . 1 1 110 110 ALA HB1 H 1 1.608 0.020 . 1 . . . . 1575 ALA HB1 . 19322 1 422 . 1 1 110 110 ALA HB2 H 1 1.608 0.020 . 1 . . . . 1575 ALA HB2 . 19322 1 423 . 1 1 110 110 ALA HB3 H 1 1.608 0.020 . 1 . . . . 1575 ALA HB3 . 19322 1 424 . 1 1 110 110 ALA N N 15 121.377 0.200 . 1 . . . . 1575 ALA N . 19322 1 425 . 1 1 111 111 GLN H H 1 7.879 0.020 . 1 . . . . 1576 GLN H . 19322 1 426 . 1 1 111 111 GLN HA H 1 4.026 0.020 . 1 . . . . 1576 GLN HA . 19322 1 427 . 1 1 111 111 GLN N N 15 114.885 0.200 . 1 . . . . 1576 GLN N . 19322 1 428 . 1 1 112 112 LEU H H 1 7.678 0.020 . 1 . . . . 1577 LEU H . 19322 1 429 . 1 1 112 112 LEU HA H 1 4.035 0.020 . 1 . . . . 1577 LEU HA . 19322 1 430 . 1 1 112 112 LEU HD11 H 1 0.951 0.020 . 2 . . . . 1577 LEU HD11 . 19322 1 431 . 1 1 112 112 LEU HD12 H 1 0.951 0.020 . 2 . . . . 1577 LEU HD12 . 19322 1 432 . 1 1 112 112 LEU HD13 H 1 0.951 0.020 . 2 . . . . 1577 LEU HD13 . 19322 1 433 . 1 1 112 112 LEU HD21 H 1 0.546 0.020 . 2 . . . . 1577 LEU HD21 . 19322 1 434 . 1 1 112 112 LEU HD22 H 1 0.546 0.020 . 2 . . . . 1577 LEU HD22 . 19322 1 435 . 1 1 112 112 LEU HD23 H 1 0.546 0.020 . 2 . . . . 1577 LEU HD23 . 19322 1 436 . 1 1 112 112 LEU N N 15 120.432 0.200 . 1 . . . . 1577 LEU N . 19322 1 437 . 1 1 113 113 CYS H H 1 7.974 0.020 . 1 . . . . 1578 CYS H . 19322 1 438 . 1 1 113 113 CYS HA H 1 4.609 0.020 . 1 . . . . 1578 CYS HA . 19322 1 439 . 1 1 113 113 CYS HB2 H 1 2.967 0.020 . 2 . . . . 1578 CYS HB2 . 19322 1 440 . 1 1 113 113 CYS HB3 H 1 1.899 0.020 . 2 . . . . 1578 CYS HB3 . 19322 1 441 . 1 1 113 113 CYS N N 15 111.722 0.200 . 1 . . . . 1578 CYS N . 19322 1 442 . 1 1 114 114 ASN H H 1 7.757 0.020 . 1 . . . . 1579 ASN H . 19322 1 443 . 1 1 114 114 ASN HA H 1 4.583 0.020 . 1 . . . . 1579 ASN HA . 19322 1 444 . 1 1 114 114 ASN HB2 H 1 2.916 0.020 . 2 . . . . 1579 ASN HB2 . 19322 1 445 . 1 1 114 114 ASN HB3 H 1 2.798 0.020 . 2 . . . . 1579 ASN HB3 . 19322 1 446 . 1 1 114 114 ASN N N 15 119.465 0.200 . 1 . . . . 1579 ASN N . 19322 1 447 . 1 1 115 115 ILE H H 1 8.001 0.020 . 1 . . . . 1580 ILE H . 19322 1 448 . 1 1 115 115 ILE HA H 1 4.428 0.020 . 1 . . . . 1580 ILE HA . 19322 1 449 . 1 1 115 115 ILE N N 15 121.310 0.200 . 1 . . . . 1580 ILE N . 19322 1 450 . 1 1 116 116 PRO HA H 1 4.438 0.020 . 1 . . . . 1581 PRO HA . 19322 1 451 . 1 1 116 116 PRO HB2 H 1 2.238 0.020 . 2 . . . . 1581 PRO HB2 . 19322 1 452 . 1 1 116 116 PRO HB3 H 1 1.936 0.020 . 2 . . . . 1581 PRO HB3 . 19322 1 453 . 1 1 117 117 VAL H H 1 7.732 0.020 . 1 . . . . 1582 VAL H . 19322 1 454 . 1 1 117 117 VAL HA H 1 4.021 0.020 . 1 . . . . 1582 VAL HA . 19322 1 455 . 1 1 117 117 VAL HB H 1 2.071 0.020 . 1 . . . . 1582 VAL HB . 19322 1 456 . 1 1 117 117 VAL HG11 H 1 0.902 0.020 . 1 . . . . 1582 VAL HG11 . 19322 1 457 . 1 1 117 117 VAL HG12 H 1 0.902 0.020 . 1 . . . . 1582 VAL HG12 . 19322 1 458 . 1 1 117 117 VAL HG13 H 1 0.902 0.020 . 1 . . . . 1582 VAL HG13 . 19322 1 459 . 1 1 117 117 VAL N N 15 124.086 0.200 . 1 . . . . 1582 VAL N . 19322 1 stop_ save_ save_assigned_chemical_shifts-2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts-2 _Assigned_chem_shift_list.Entry_ID 19322 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions-2 _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 4 '2D 1H-15N HSQC' . . . 19322 2 5 '3D 1H-15N NOESY' . . . 19322 2 6 '3D 1H-15N TOCSY' . . . 19322 2 8 '3D 1H-15N HSQC-NOESY-HSQC' . . . 19322 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 17 17 SER H H 1 8.216 0.020 . 1 . . . . 1507 SER H . 19322 2 2 . 2 2 17 17 SER N N 15 116.150 0.200 . 1 . . . . 1507 SER N . 19322 2 3 . 2 2 18 18 ALA H H 1 8.265 0.020 . 1 . . . . 1508 ALA H . 19322 2 4 . 2 2 18 18 ALA N N 15 125.760 0.200 . 1 . . . . 1508 ALA N . 19322 2 5 . 2 2 19 19 ARG H H 1 8.236 0.020 . 1 . . . . 1509 ARG H . 19322 2 6 . 2 2 19 19 ARG N N 15 121.296 0.200 . 1 . . . . 1509 ARG N . 19322 2 7 . 2 2 21 21 ALA H H 1 8.422 0.020 . 1 . . . . 1511 ALA H . 19322 2 8 . 2 2 21 21 ALA N N 15 124.300 0.200 . 1 . . . . 1511 ALA N . 19322 2 9 . 2 2 22 22 GLU H H 1 8.455 0.020 . 1 . . . . 1512 GLU H . 19322 2 10 . 2 2 22 22 GLU N N 15 119.738 0.200 . 1 . . . . 1512 GLU N . 19322 2 11 . 2 2 24 24 ASN H H 1 8.476 0.020 . 1 . . . . 1514 ASN H . 19322 2 12 . 2 2 24 24 ASN N N 15 120.877 0.200 . 1 . . . . 1514 ASN N . 19322 2 13 . 2 2 25 25 GLU H H 1 8.328 0.020 . 1 . . . . 1515 GLU H . 19322 2 14 . 2 2 25 25 GLU N N 15 120.802 0.200 . 1 . . . . 1515 GLU N . 19322 2 15 . 2 2 26 26 GLN H H 1 8.337 0.020 . 1 . . . . 1516 GLN H . 19322 2 16 . 2 2 26 26 GLN N N 15 121.268 0.200 . 1 . . . . 1516 GLN N . 19322 2 17 . 2 2 27 27 ILE H H 1 8.125 0.020 . 1 . . . . 1517 ILE H . 19322 2 18 . 2 2 27 27 ILE N N 15 122.414 0.200 . 1 . . . . 1517 ILE N . 19322 2 19 . 2 2 28 28 GLU H H 1 8.469 0.020 . 1 . . . . 1518 GLU H . 19322 2 20 . 2 2 28 28 GLU N N 15 124.930 0.200 . 1 . . . . 1518 GLU N . 19322 2 21 . 2 2 29 29 GLU H H 1 8.496 0.020 . 1 . . . . 1519 GLU H . 19322 2 22 . 2 2 29 29 GLU N N 15 122.784 0.200 . 1 . . . . 1519 GLU N . 19322 2 23 . 2 2 30 30 THR H H 1 8.087 0.020 . 1 . . . . 1520 THR H . 19322 2 24 . 2 2 30 30 THR N N 15 114.412 0.200 . 1 . . . . 1520 THR N . 19322 2 25 . 2 2 31 31 ASP H H 1 8.435 0.020 . 1 . . . . 1521 ASP H . 19322 2 26 . 2 2 31 31 ASP N N 15 122.622 0.200 . 1 . . . . 1521 ASP N . 19322 2 27 . 2 2 32 32 VAL H H 1 7.935 0.020 . 1 . . . . 1522 VAL H . 19322 2 28 . 2 2 32 32 VAL N N 15 118.047 0.200 . 1 . . . . 1522 VAL N . 19322 2 29 . 2 2 33 33 TYR H H 1 8.218 0.020 . 1 . . . . 1523 TYR H . 19322 2 30 . 2 2 33 33 TYR N N 15 124.230 0.200 . 1 . . . . 1523 TYR N . 19322 2 31 . 2 2 34 34 GLN H H 1 8.006 0.020 . 1 . . . . 1524 GLN H . 19322 2 32 . 2 2 34 34 GLN N N 15 120.373 0.200 . 1 . . . . 1524 GLN N . 19322 2 33 . 2 2 35 35 ASP H H 1 9.404 0.020 . 1 . . . . 1525 ASP H . 19322 2 34 . 2 2 35 35 ASP N N 15 120.056 0.200 . 1 . . . . 1525 ASP N . 19322 2 35 . 2 2 36 36 LEU H H 1 9.408 0.020 . 1 . . . . 1526 LEU H . 19322 2 36 . 2 2 36 36 LEU N N 15 121.790 0.200 . 1 . . . . 1526 LEU N . 19322 2 37 . 2 2 37 37 CYS H H 1 9.231 0.020 . 1 . . . . 1527 CYS H . 19322 2 38 . 2 2 37 37 CYS N N 15 120.849 0.200 . 1 . . . . 1527 CYS N . 19322 2 39 . 2 2 38 38 TRP H H 1 8.705 0.020 . 1 . . . . 1528 TRP H . 19322 2 40 . 2 2 38 38 TRP HE1 H 1 9.587 0.020 . 1 . . . . 1528 TRP HE1 . 19322 2 41 . 2 2 38 38 TRP N N 15 128.981 0.200 . 1 . . . . 1528 TRP N . 19322 2 42 . 2 2 38 38 TRP NE1 N 15 131.639 0.200 . 1 . . . . 1528 TRP NE1 . 19322 2 43 . 2 2 39 39 GLU H H 1 9.241 0.020 . 1 . . . . 1529 GLU H . 19322 2 44 . 2 2 39 39 GLU N N 15 122.162 0.200 . 1 . . . . 1529 GLU N . 19322 2 45 . 2 2 40 40 HIS H H 1 8.185 0.020 . 1 . . . . 1530 HIS H . 19322 2 46 . 2 2 40 40 HIS N N 15 113.999 0.200 . 1 . . . . 1530 HIS N . 19322 2 47 . 2 2 41 41 LEU H H 1 8.058 0.020 . 1 . . . . 1531 LEU H . 19322 2 48 . 2 2 41 41 LEU N N 15 127.059 0.200 . 1 . . . . 1531 LEU N . 19322 2 49 . 2 2 43 43 ASP H H 1 8.888 0.020 . 1 . . . . 1533 ASP H . 19322 2 50 . 2 2 43 43 ASP N N 15 120.610 0.200 . 1 . . . . 1533 ASP N . 19322 2 51 . 2 2 44 44 GLU H H 1 7.488 0.020 . 1 . . . . 1534 GLU H . 19322 2 52 . 2 2 44 44 GLU N N 15 116.196 0.200 . 1 . . . . 1534 GLU N . 19322 2 53 . 2 2 45 45 TYR H H 1 7.771 0.020 . 1 . . . . 1535 TYR H . 19322 2 54 . 2 2 45 45 TYR N N 15 114.979 0.200 . 1 . . . . 1535 TYR N . 19322 2 55 . 2 2 46 46 VAL H H 1 7.400 0.020 . 1 . . . . 1536 VAL H . 19322 2 56 . 2 2 46 46 VAL N N 15 117.225 0.200 . 1 . . . . 1536 VAL N . 19322 2 57 . 2 2 48 48 SER H H 1 8.948 0.020 . 1 . . . . 1538 SER H . 19322 2 58 . 2 2 48 48 SER N N 15 115.272 0.200 . 1 . . . . 1538 SER N . 19322 2 59 . 2 2 49 49 ARG H H 1 9.166 0.020 . 1 . . . . 1539 ARG H . 19322 2 60 . 2 2 49 49 ARG N N 15 113.181 0.200 . 1 . . . . 1539 ARG N . 19322 2 61 . 2 2 51 51 LEU H H 1 8.460 0.020 . 1 . . . . 1541 LEU H . 19322 2 62 . 2 2 51 51 LEU N N 15 123.492 0.200 . 1 . . . . 1541 LEU N . 19322 2 63 . 2 2 52 52 VAL H H 1 8.079 0.020 . 1 . . . . 1542 VAL H . 19322 2 64 . 2 2 52 52 VAL N N 15 125.693 0.200 . 1 . . . . 1542 VAL N . 19322 2 65 . 2 2 53 53 GLY H H 1 8.620 0.020 . 1 . . . . 1543 GLY H . 19322 2 66 . 2 2 53 53 GLY N N 15 113.417 0.200 . 1 . . . . 1543 GLY N . 19322 2 67 . 2 2 54 54 LYS H H 1 7.018 0.020 . 1 . . . . 1544 LYS H . 19322 2 68 . 2 2 54 54 LYS N N 15 118.291 0.200 . 1 . . . . 1544 LYS N . 19322 2 69 . 2 2 55 55 GLN H H 1 8.584 0.020 . 1 . . . . 1545 GLN H . 19322 2 70 . 2 2 55 55 GLN N N 15 124.482 0.200 . 1 . . . . 1545 GLN N . 19322 2 71 . 2 2 56 56 THR H H 1 9.084 0.020 . 1 . . . . 1546 THR H . 19322 2 72 . 2 2 56 56 THR N N 15 110.155 0.200 . 1 . . . . 1546 THR N . 19322 2 73 . 2 2 57 57 THR H H 1 9.040 0.020 . 1 . . . . 1547 THR H . 19322 2 74 . 2 2 57 57 THR N N 15 115.711 0.200 . 1 . . . . 1547 THR N . 19322 2 75 . 2 2 58 58 TYR H H 1 8.618 0.020 . 1 . . . . 1548 TYR H . 19322 2 76 . 2 2 58 58 TYR N N 15 125.477 0.200 . 1 . . . . 1548 TYR N . 19322 2 77 . 2 2 59 59 THR H H 1 7.827 0.020 . 1 . . . . 1549 THR H . 19322 2 78 . 2 2 59 59 THR N N 15 112.943 0.200 . 1 . . . . 1549 THR N . 19322 2 79 . 2 2 60 60 GLU H H 1 7.475 0.020 . 1 . . . . 1550 GLU H . 19322 2 80 . 2 2 60 60 GLU N N 15 120.569 0.200 . 1 . . . . 1550 GLU N . 19322 2 81 . 2 2 61 61 CYS H H 1 8.330 0.020 . 1 . . . . 1551 CYS H . 19322 2 82 . 2 2 61 61 CYS N N 15 114.168 0.200 . 1 . . . . 1551 CYS N . 19322 2 83 . 2 2 62 62 CYS H H 1 8.407 0.020 . 1 . . . . 1552 CYS H . 19322 2 84 . 2 2 62 62 CYS N N 15 114.678 0.200 . 1 . . . . 1552 CYS N . 19322 2 85 . 2 2 63 63 CYS H H 1 8.455 0.020 . 1 . . . . 1553 CYS H . 19322 2 86 . 2 2 63 63 CYS N N 15 114.968 0.200 . 1 . . . . 1553 CYS N . 19322 2 87 . 2 2 64 64 LEU H H 1 7.649 0.020 . 1 . . . . 1554 LEU H . 19322 2 88 . 2 2 64 64 LEU N N 15 116.473 0.200 . 1 . . . . 1554 LEU N . 19322 2 89 . 2 2 65 65 TYR H H 1 7.593 0.020 . 1 . . . . 1555 TYR H . 19322 2 90 . 2 2 65 65 TYR N N 15 115.544 0.200 . 1 . . . . 1555 TYR N . 19322 2 91 . 2 2 66 66 GLY H H 1 8.982 0.020 . 1 . . . . 1556 GLY H . 19322 2 92 . 2 2 66 66 GLY N N 15 107.465 0.200 . 1 . . . . 1556 GLY N . 19322 2 93 . 2 2 67 67 GLU H H 1 8.395 0.020 . 1 . . . . 1557 GLU H . 19322 2 94 . 2 2 67 67 GLU N N 15 115.282 0.200 . 1 . . . . 1557 GLU N . 19322 2 95 . 2 2 69 69 TRP H H 1 9.762 0.020 . 1 . . . . 1559 TRP H . 19322 2 96 . 2 2 69 69 TRP HE1 H 1 10.362 0.020 . 1 . . . . 1559 TRP HE1 . 19322 2 97 . 2 2 69 69 TRP N N 15 119.996 0.200 . 1 . . . . 1559 TRP N . 19322 2 98 . 2 2 69 69 TRP NE1 N 15 131.652 0.200 . 1 . . . . 1559 TRP NE1 . 19322 2 99 . 2 2 70 70 GLY H H 1 9.155 0.020 . 1 . . . . 1560 GLY H . 19322 2 100 . 2 2 70 70 GLY N N 15 115.078 0.200 . 1 . . . . 1560 GLY N . 19322 2 101 . 2 2 71 71 MET H H 1 8.680 0.020 . 1 . . . . 1561 MET H . 19322 2 102 . 2 2 71 71 MET N N 15 120.585 0.200 . 1 . . . . 1561 MET N . 19322 2 103 . 2 2 72 72 GLN H H 1 8.806 0.020 . 1 . . . . 1562 GLN H . 19322 2 104 . 2 2 72 72 GLN N N 15 115.384 0.200 . 1 . . . . 1562 GLN N . 19322 2 105 . 2 2 73 73 CYS H H 1 8.221 0.020 . 1 . . . . 1563 CYS H . 19322 2 106 . 2 2 73 73 CYS N N 15 122.325 0.200 . 1 . . . . 1563 CYS N . 19322 2 107 . 2 2 74 74 ALA H H 1 8.858 0.020 . 1 . . . . 1564 ALA H . 19322 2 108 . 2 2 74 74 ALA N N 15 123.437 0.200 . 1 . . . . 1564 ALA N . 19322 2 109 . 2 2 76 76 CYS H H 1 7.632 0.020 . 1 . . . . 1566 CYS H . 19322 2 110 . 2 2 76 76 CYS N N 15 121.811 0.200 . 1 . . . . 1566 CYS N . 19322 2 111 . 2 2 78 78 LEU H H 1 8.607 0.020 . 1 . . . . 1568 LEU H . 19322 2 112 . 2 2 78 78 LEU N N 15 121.575 0.200 . 1 . . . . 1568 LEU N . 19322 2 113 . 2 2 79 79 LYS H H 1 8.605 0.020 . 1 . . . . 1569 LYS H . 19322 2 114 . 2 2 79 79 LYS N N 15 123.144 0.200 . 1 . . . . 1569 LYS N . 19322 2 115 . 2 2 80 80 ASP H H 1 7.594 0.020 . 1 . . . . 1570 ASP H . 19322 2 116 . 2 2 80 80 ASP N N 15 115.340 0.200 . 1 . . . . 1570 ASP N . 19322 2 117 . 2 2 81 81 SER H H 1 7.860 0.020 . 1 . . . . 1571 SER H . 19322 2 118 . 2 2 81 81 SER N N 15 114.657 0.200 . 1 . . . . 1571 SER N . 19322 2 119 . 2 2 82 82 ASP H H 1 9.225 0.020 . 1 . . . . 1572 ASP H . 19322 2 120 . 2 2 82 82 ASP N N 15 124.669 0.200 . 1 . . . . 1572 ASP N . 19322 2 121 . 2 2 83 83 ASP H H 1 8.393 0.020 . 1 . . . . 1573 ASP H . 19322 2 122 . 2 2 83 83 ASP N N 15 118.381 0.200 . 1 . . . . 1573 ASP N . 19322 2 123 . 2 2 84 84 TYR H H 1 7.965 0.020 . 1 . . . . 1574 TYR H . 19322 2 124 . 2 2 84 84 TYR N N 15 122.613 0.200 . 1 . . . . 1574 TYR N . 19322 2 125 . 2 2 85 85 ALA H H 1 7.700 0.020 . 1 . . . . 1575 ALA H . 19322 2 126 . 2 2 85 85 ALA N N 15 121.662 0.200 . 1 . . . . 1575 ALA N . 19322 2 127 . 2 2 86 86 GLN H H 1 7.914 0.020 . 1 . . . . 1576 GLN H . 19322 2 128 . 2 2 86 86 GLN N N 15 114.655 0.200 . 1 . . . . 1576 GLN N . 19322 2 129 . 2 2 87 87 LEU H H 1 7.723 0.020 . 1 . . . . 1577 LEU H . 19322 2 130 . 2 2 87 87 LEU N N 15 120.676 0.200 . 1 . . . . 1577 LEU N . 19322 2 131 . 2 2 88 88 CYS H H 1 7.973 0.020 . 1 . . . . 1578 CYS H . 19322 2 132 . 2 2 88 88 CYS N N 15 110.965 0.200 . 1 . . . . 1578 CYS N . 19322 2 133 . 2 2 89 89 ASN H H 1 7.764 0.020 . 1 . . . . 1579 ASN H . 19322 2 134 . 2 2 89 89 ASN N N 15 119.397 0.200 . 1 . . . . 1579 ASN N . 19322 2 135 . 2 2 92 92 VAL H H 1 8.288 0.020 . 1 . . . . 1582 VAL H . 19322 2 136 . 2 2 92 92 VAL N N 15 120.323 0.200 . 1 . . . . 1582 VAL N . 19322 2 137 . 2 2 93 93 THR H H 1 8.070 0.020 . 1 . . . . 1583 THR H . 19322 2 138 . 2 2 93 93 THR N N 15 115.850 0.200 . 1 . . . . 1583 THR N . 19322 2 139 . 2 2 94 94 GLY H H 1 8.342 0.020 . 1 . . . . 1584 GLY H . 19322 2 140 . 2 2 94 94 GLY N N 15 110.926 0.200 . 1 . . . . 1584 GLY N . 19322 2 141 . 2 2 99 99 TYR H H 1 8.133 0.020 . 1 . . . . 1589 TYR H . 19322 2 142 . 2 2 99 99 TYR N N 15 119.785 0.200 . 1 . . . . 1589 TYR N . 19322 2 143 . 2 2 100 100 GLY H H 1 8.272 0.020 . 1 . . . . 1590 GLY H . 19322 2 144 . 2 2 100 100 GLY N N 15 110.621 0.200 . 1 . . . . 1590 GLY N . 19322 2 145 . 2 2 101 101 ARG H H 1 8.160 0.020 . 1 . . . . 1591 ARG H . 19322 2 146 . 2 2 101 101 ARG N N 15 120.511 0.200 . 1 . . . . 1591 ARG N . 19322 2 147 . 2 2 102 102 ASP H H 1 8.362 0.020 . 1 . . . . 1592 ASP H . 19322 2 148 . 2 2 102 102 ASP N N 15 120.490 0.200 . 1 . . . . 1592 ASP N . 19322 2 149 . 2 2 103 103 ALA H H 1 8.035 0.020 . 1 . . . . 1593 ALA H . 19322 2 150 . 2 2 103 103 ALA N N 15 123.565 0.200 . 1 . . . . 1593 ALA N . 19322 2 151 . 2 2 104 104 LEU H H 1 8.118 0.020 . 1 . . . . 1594 LEU H . 19322 2 152 . 2 2 104 104 LEU N N 15 120.590 0.200 . 1 . . . . 1594 LEU N . 19322 2 153 . 2 2 105 105 VAL H H 1 7.862 0.020 . 1 . . . . 1595 VAL H . 19322 2 154 . 2 2 105 105 VAL N N 15 119.940 0.200 . 1 . . . . 1595 VAL N . 19322 2 155 . 2 2 106 106 ASP H H 1 8.198 0.020 . 1 . . . . 1596 ASP H . 19322 2 156 . 2 2 106 106 ASP N N 15 123.296 0.200 . 1 . . . . 1596 ASP N . 19322 2 157 . 2 2 107 107 PHE H H 1 8.184 0.020 . 1 . . . . 1597 PHE H . 19322 2 158 . 2 2 107 107 PHE N N 15 121.665 0.200 . 1 . . . . 1597 PHE N . 19322 2 159 . 2 2 108 108 SER H H 1 8.227 0.020 . 1 . . . . 1598 SER H . 19322 2 160 . 2 2 108 108 SER N N 15 117.275 0.200 . 1 . . . . 1598 SER N . 19322 2 161 . 2 2 109 109 GLU H H 1 8.275 0.020 . 1 . . . . 1599 GLU H . 19322 2 162 . 2 2 109 109 GLU N N 15 122.365 0.200 . 1 . . . . 1599 GLU N . 19322 2 163 . 2 2 110 110 GLN H H 1 8.158 0.020 . 1 . . . . 1600 GLN H . 19322 2 164 . 2 2 110 110 GLN N N 15 120.289 0.200 . 1 . . . . 1600 GLN N . 19322 2 165 . 2 2 111 111 TYR H H 1 8.187 0.020 . 1 . . . . 1601 TYR H . 19322 2 166 . 2 2 111 111 TYR N N 15 122.222 0.200 . 1 . . . . 1601 TYR N . 19322 2 167 . 2 2 112 112 THR H H 1 7.969 0.020 . 1 . . . . 1602 THR H . 19322 2 168 . 2 2 112 112 THR N N 15 120.192 0.200 . 1 . . . . 1602 THR N . 19322 2 169 . 2 2 114 114 GLU H H 1 8.413 0.020 . 1 . . . . 1604 GLU H . 19322 2 170 . 2 2 114 114 GLU N N 15 119.926 0.200 . 1 . . . . 1604 GLU N . 19322 2 171 . 2 2 115 115 ALA H H 1 8.070 0.020 . 1 . . . . 1605 ALA H . 19322 2 172 . 2 2 115 115 ALA N N 15 124.297 0.200 . 1 . . . . 1605 ALA N . 19322 2 173 . 2 2 116 116 ASP H H 1 8.140 0.020 . 1 . . . . 1606 ASP H . 19322 2 174 . 2 2 116 116 ASP N N 15 121.335 0.200 . 1 . . . . 1606 ASP N . 19322 2 175 . 2 2 118 118 TYR H H 1 8.246 0.020 . 1 . . . . 1608 TYR H . 19322 2 176 . 2 2 118 118 TYR N N 15 118.881 0.200 . 1 . . . . 1608 TYR N . 19322 2 177 . 2 2 119 119 PHE H H 1 7.734 0.020 . 1 . . . . 1609 PHE H . 19322 2 178 . 2 2 119 119 PHE N N 15 121.026 0.200 . 1 . . . . 1609 PHE N . 19322 2 179 . 2 2 120 120 ILE H H 1 7.841 0.020 . 1 . . . . 1610 ILE H . 19322 2 180 . 2 2 120 120 ILE N N 15 123.145 0.200 . 1 . . . . 1610 ILE N . 19322 2 181 . 2 2 121 121 GLN H H 1 8.213 0.020 . 1 . . . . 1611 GLN H . 19322 2 182 . 2 2 121 121 GLN N N 15 123.879 0.200 . 1 . . . . 1611 GLN N . 19322 2 183 . 2 2 122 122 ASP H H 1 8.270 0.020 . 1 . . . . 1612 ASP H . 19322 2 184 . 2 2 122 122 ASP N N 15 121.533 0.200 . 1 . . . . 1612 ASP N . 19322 2 185 . 2 2 123 123 ARG H H 1 8.062 0.020 . 1 . . . . 1613 ARG H . 19322 2 186 . 2 2 123 123 ARG N N 15 120.738 0.200 . 1 . . . . 1613 ARG N . 19322 2 187 . 2 2 124 124 PHE H H 1 8.199 0.020 . 1 . . . . 1614 PHE H . 19322 2 188 . 2 2 124 124 PHE N N 15 120.186 0.200 . 1 . . . . 1614 PHE N . 19322 2 189 . 2 2 125 125 LEU H H 1 8.029 0.020 . 1 . . . . 1615 LEU H . 19322 2 190 . 2 2 125 125 LEU N N 15 122.679 0.200 . 1 . . . . 1615 LEU N . 19322 2 191 . 2 2 126 126 ASN H H 1 8.282 0.020 . 1 . . . . 1616 ASN H . 19322 2 192 . 2 2 126 126 ASN N N 15 118.787 0.200 . 1 . . . . 1616 ASN N . 19322 2 193 . 2 2 127 127 SER H H 1 8.102 0.020 . 1 . . . . 1617 SER H . 19322 2 194 . 2 2 127 127 SER N N 15 115.592 0.200 . 1 . . . . 1617 SER N . 19322 2 195 . 2 2 131 131 LEU H H 1 8.237 0.020 . 1 . . . . 1621 LEU H . 19322 2 196 . 2 2 131 131 LEU N N 15 123.407 0.200 . 1 . . . . 1621 LEU N . 19322 2 197 . 2 2 132 132 GLN H H 1 8.408 0.020 . 1 . . . . 1622 GLN H . 19322 2 198 . 2 2 132 132 GLN N N 15 121.192 0.200 . 1 . . . . 1622 GLN N . 19322 2 199 . 2 2 133 133 ALA H H 1 8.325 0.020 . 1 . . . . 1623 ALA H . 19322 2 200 . 2 2 133 133 ALA N N 15 125.169 0.200 . 1 . . . . 1623 ALA N . 19322 2 201 . 2 2 134 134 GLU H H 1 8.403 0.020 . 1 . . . . 1624 GLU H . 19322 2 202 . 2 2 134 134 GLU N N 15 119.400 0.200 . 1 . . . . 1624 GLU N . 19322 2 203 . 2 2 138 138 ILE H H 1 7.363 0.020 . 1 . . . . 1628 ILE H . 19322 2 204 . 2 2 138 138 ILE N N 15 120.255 0.200 . 1 . . . . 1628 ILE N . 19322 2 205 . 2 2 139 139 LEU H H 1 8.229 0.020 . 1 . . . . 1629 LEU H . 19322 2 206 . 2 2 139 139 LEU N N 15 126.470 0.200 . 1 . . . . 1629 LEU N . 19322 2 207 . 2 2 140 140 ASN H H 1 8.395 0.020 . 1 . . . . 1630 ASN H . 19322 2 208 . 2 2 140 140 ASN N N 15 117.484 0.200 . 1 . . . . 1630 ASN N . 19322 2 209 . 2 2 141 141 GLY H H 1 7.937 0.020 . 1 . . . . 1631 GLY H . 19322 2 210 . 2 2 141 141 GLY N N 15 107.146 0.200 . 1 . . . . 1631 GLY N . 19322 2 211 . 2 2 142 142 CYS H H 1 8.497 0.020 . 1 . . . . 1632 CYS H . 19322 2 212 . 2 2 142 142 CYS N N 15 115.327 0.200 . 1 . . . . 1632 CYS N . 19322 2 213 . 2 2 143 143 GLU H H 1 8.076 0.020 . 1 . . . . 1633 GLU H . 19322 2 214 . 2 2 143 143 GLU N N 15 121.668 0.200 . 1 . . . . 1633 GLU N . 19322 2 215 . 2 2 144 144 ASN H H 1 8.578 0.020 . 1 . . . . 1634 ASN H . 19322 2 216 . 2 2 144 144 ASN N N 15 116.996 0.200 . 1 . . . . 1634 ASN N . 19322 2 217 . 2 2 145 145 GLY H H 1 6.813 0.020 . 1 . . . . 1635 GLY H . 19322 2 218 . 2 2 145 145 GLY N N 15 104.156 0.200 . 1 . . . . 1635 GLY N . 19322 2 219 . 2 2 146 146 ARG H H 1 7.895 0.020 . 1 . . . . 1636 ARG H . 19322 2 220 . 2 2 146 146 ARG N N 15 117.527 0.200 . 1 . . . . 1636 ARG N . 19322 2 221 . 2 2 147 147 CYS H H 1 9.047 0.020 . 1 . . . . 1637 CYS H . 19322 2 222 . 2 2 147 147 CYS N N 15 125.540 0.200 . 1 . . . . 1637 CYS N . 19322 2 223 . 2 2 148 148 VAL H H 1 8.891 0.020 . 1 . . . . 1638 VAL H . 19322 2 224 . 2 2 148 148 VAL N N 15 125.240 0.200 . 1 . . . . 1638 VAL N . 19322 2 225 . 2 2 149 149 ARG H H 1 8.641 0.020 . 1 . . . . 1639 ARG H . 19322 2 226 . 2 2 149 149 ARG N N 15 125.017 0.200 . 1 . . . . 1639 ARG N . 19322 2 227 . 2 2 150 150 VAL H H 1 8.178 0.020 . 1 . . . . 1640 VAL H . 19322 2 228 . 2 2 150 150 VAL N N 15 121.550 0.200 . 1 . . . . 1640 VAL N . 19322 2 229 . 2 2 151 151 GLN H H 1 8.695 0.020 . 1 . . . . 1641 GLN H . 19322 2 230 . 2 2 151 151 GLN N N 15 122.482 0.200 . 1 . . . . 1641 GLN N . 19322 2 231 . 2 2 152 152 GLU H H 1 8.520 0.020 . 1 . . . . 1642 GLU H . 19322 2 232 . 2 2 152 152 GLU N N 15 116.878 0.200 . 1 . . . . 1642 GLU N . 19322 2 233 . 2 2 153 153 GLY H H 1 7.594 0.020 . 1 . . . . 1643 GLY H . 19322 2 234 . 2 2 153 153 GLY N N 15 109.152 0.200 . 1 . . . . 1643 GLY N . 19322 2 235 . 2 2 154 154 TYR H H 1 8.368 0.020 . 1 . . . . 1644 TYR H . 19322 2 236 . 2 2 154 154 TYR N N 15 120.325 0.200 . 1 . . . . 1644 TYR N . 19322 2 237 . 2 2 155 155 THR H H 1 9.097 0.020 . 1 . . . . 1645 THR H . 19322 2 238 . 2 2 155 155 THR N N 15 115.777 0.200 . 1 . . . . 1645 THR N . 19322 2 239 . 2 2 156 156 CYS H H 1 7.678 0.020 . 1 . . . . 1646 CYS H . 19322 2 240 . 2 2 156 156 CYS N N 15 117.541 0.200 . 1 . . . . 1646 CYS N . 19322 2 241 . 2 2 157 157 ASP H H 1 9.159 0.020 . 1 . . . . 1647 ASP H . 19322 2 242 . 2 2 157 157 ASP N N 15 125.712 0.200 . 1 . . . . 1647 ASP N . 19322 2 243 . 2 2 158 158 CYS H H 1 8.379 0.020 . 1 . . . . 1648 CYS H . 19322 2 244 . 2 2 158 158 CYS N N 15 123.451 0.200 . 1 . . . . 1648 CYS N . 19322 2 245 . 2 2 159 159 PHE H H 1 8.493 0.020 . 1 . . . . 1649 PHE H . 19322 2 246 . 2 2 159 159 PHE N N 15 122.425 0.200 . 1 . . . . 1649 PHE N . 19322 2 247 . 2 2 160 160 ASP H H 1 8.539 0.020 . 1 . . . . 1650 ASP H . 19322 2 248 . 2 2 160 160 ASP N N 15 119.578 0.200 . 1 . . . . 1650 ASP N . 19322 2 249 . 2 2 161 161 GLY H H 1 8.658 0.020 . 1 . . . . 1651 GLY H . 19322 2 250 . 2 2 161 161 GLY N N 15 112.038 0.200 . 1 . . . . 1651 GLY N . 19322 2 251 . 2 2 162 162 TYR H H 1 8.226 0.020 . 1 . . . . 1652 TYR H . 19322 2 252 . 2 2 162 162 TYR N N 15 119.195 0.200 . 1 . . . . 1652 TYR N . 19322 2 253 . 2 2 163 163 HIS H H 1 9.746 0.020 . 1 . . . . 1653 HIS H . 19322 2 254 . 2 2 163 163 HIS N N 15 116.632 0.200 . 1 . . . . 1653 HIS N . 19322 2 255 . 2 2 164 164 LEU H H 1 8.786 0.020 . 1 . . . . 1654 LEU H . 19322 2 256 . 2 2 164 164 LEU N N 15 125.328 0.200 . 1 . . . . 1654 LEU N . 19322 2 257 . 2 2 165 165 ASP H H 1 9.110 0.020 . 1 . . . . 1655 ASP H . 19322 2 258 . 2 2 165 165 ASP N N 15 128.615 0.200 . 1 . . . . 1655 ASP N . 19322 2 259 . 2 2 166 166 THR H H 1 8.576 0.020 . 1 . . . . 1656 THR H . 19322 2 260 . 2 2 166 166 THR N N 15 117.449 0.200 . 1 . . . . 1656 THR N . 19322 2 261 . 2 2 170 170 THR H H 1 7.405 0.020 . 1 . . . . 1660 THR H . 19322 2 262 . 2 2 170 170 THR N N 15 109.971 0.200 . 1 . . . . 1660 THR N . 19322 2 263 . 2 2 171 171 CYS H H 1 7.991 0.020 . 1 . . . . 1661 CYS H . 19322 2 264 . 2 2 171 171 CYS N N 15 122.944 0.200 . 1 . . . . 1661 CYS N . 19322 2 265 . 2 2 172 172 VAL H H 1 9.319 0.020 . 1 . . . . 1662 VAL H . 19322 2 266 . 2 2 172 172 VAL N N 15 125.734 0.200 . 1 . . . . 1662 VAL N . 19322 2 stop_ save_