data_19322 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; LTBP1 cbEGF14-TB3-EGF3 ; _BMRB_accession_number 19322 _BMRB_flat_file_name bmr19322.str _Entry_type original _Submission_date 2013-06-26 _Accession_date 2013-06-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Robertson Ian B. . 2 Handford Penny A. . 3 Redfield Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 459 "15N chemical shifts" 236 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-13 original author . stop_ _Original_release_date 2014-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Spectroscopic and Bioinformatic Analyses of the LTBP1 C-Terminus Reveal a Highly Dynamic Domain Organisation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24489852 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Robertson Ian B. . 2 Handford Penny A. . 3 Redfield Christina . . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 9 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e87125 _Page_last e87125 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name LTBP1-cb14TB3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cb14TB3 $cb14TB3 TB3E3 $TB3E3 'CALCIUM ION' $entity_CA stop_ _System_molecular_weight 13158.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cb14TB3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cb14TB3 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; SADMDECQDPSSCIDGQCVN TEGSYNCFCTHPMVLDASEK RCIRPAESNEQIEETDVYQD LCWEHLSDEYVCSRPLVGKQ TTYTECCCLYGEAWGMQCAL CPLKDSDDYAQLCNIPV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1466 SER 2 1467 ALA 3 1468 ASP 4 1469 MET 5 1470 ASP 6 1471 GLU 7 1472 CYS 8 1473 GLN 9 1474 ASP 10 1475 PRO 11 1476 SER 12 1477 SER 13 1478 CYS 14 1479 ILE 15 1480 ASP 16 1481 GLY 17 1482 GLN 18 1483 CYS 19 1484 VAL 20 1485 ASN 21 1486 THR 22 1487 GLU 23 1488 GLY 24 1489 SER 25 1490 TYR 26 1491 ASN 27 1492 CYS 28 1493 PHE 29 1494 CYS 30 1495 THR 31 1496 HIS 32 1497 PRO 33 1498 MET 34 1499 VAL 35 1500 LEU 36 1501 ASP 37 1502 ALA 38 1503 SER 39 1504 GLU 40 1505 LYS 41 1506 ARG 42 1507 CYS 43 1508 ILE 44 1509 ARG 45 1510 PRO 46 1511 ALA 47 1512 GLU 48 1513 SER 49 1514 ASN 50 1515 GLU 51 1516 GLN 52 1517 ILE 53 1518 GLU 54 1519 GLU 55 1520 THR 56 1521 ASP 57 1522 VAL 58 1523 TYR 59 1524 GLN 60 1525 ASP 61 1526 LEU 62 1527 CYS 63 1528 TRP 64 1529 GLU 65 1530 HIS 66 1531 LEU 67 1532 SER 68 1533 ASP 69 1534 GLU 70 1535 TYR 71 1536 VAL 72 1537 CYS 73 1538 SER 74 1539 ARG 75 1540 PRO 76 1541 LEU 77 1542 VAL 78 1543 GLY 79 1544 LYS 80 1545 GLN 81 1546 THR 82 1547 THR 83 1548 TYR 84 1549 THR 85 1550 GLU 86 1551 CYS 87 1552 CYS 88 1553 CYS 89 1554 LEU 90 1555 TYR 91 1556 GLY 92 1557 GLU 93 1558 ALA 94 1559 TRP 95 1560 GLY 96 1561 MET 97 1562 GLN 98 1563 CYS 99 1564 ALA 100 1565 LEU 101 1566 CYS 102 1567 PRO 103 1568 LEU 104 1569 LYS 105 1570 ASP 106 1571 SER 107 1572 ASP 108 1573 ASP 109 1574 TYR 110 1575 ALA 111 1576 GLN 112 1577 LEU 113 1578 CYS 114 1579 ASN 115 1580 ILE 116 1581 PRO 117 1582 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-02-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAG61269 "unnamed protein product [Homo sapiens]" 98.29 399 100.00 100.00 1.96e-75 stop_ save_ save_TB3E3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TB3E3 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . _Residue_count 172 _Mol_residue_sequence ; MRGSHHHHHHGSIEGRSARP AESNEQIEETDVYQDLCWEH LSDEYVCSRPLVGKQTTYTE CCCLYGEAWGMQCALCPLKD SDDYAQLCNIPVTGRRQPYG RDALVDFSEQYTPEADPYFI QDRFLNSFEELQAEECGILN GCENGRCVRVQEGYTCDCFD GYHLDTAKMTCV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1491 MET 2 1492 ARG 3 1493 GLY 4 1494 SER 5 1495 HIS 6 1496 HIS 7 1497 HIS 8 1498 HIS 9 1499 HIS 10 1500 HIS 11 1501 GLY 12 1502 SER 13 1503 ILE 14 1504 GLU 15 1505 GLY 16 1506 ARG 17 1507 SER 18 1508 ALA 19 1509 ARG 20 1510 PRO 21 1511 ALA 22 1512 GLU 23 1513 SER 24 1514 ASN 25 1515 GLU 26 1516 GLN 27 1517 ILE 28 1518 GLU 29 1519 GLU 30 1520 THR 31 1521 ASP 32 1522 VAL 33 1523 TYR 34 1524 GLN 35 1525 ASP 36 1526 LEU 37 1527 CYS 38 1528 TRP 39 1529 GLU 40 1530 HIS 41 1531 LEU 42 1532 SER 43 1533 ASP 44 1534 GLU 45 1535 TYR 46 1536 VAL 47 1537 CYS 48 1538 SER 49 1539 ARG 50 1540 PRO 51 1541 LEU 52 1542 VAL 53 1543 GLY 54 1544 LYS 55 1545 GLN 56 1546 THR 57 1547 THR 58 1548 TYR 59 1549 THR 60 1550 GLU 61 1551 CYS 62 1552 CYS 63 1553 CYS 64 1554 LEU 65 1555 TYR 66 1556 GLY 67 1557 GLU 68 1558 ALA 69 1559 TRP 70 1560 GLY 71 1561 MET 72 1562 GLN 73 1563 CYS 74 1564 ALA 75 1565 LEU 76 1566 CYS 77 1567 PRO 78 1568 LEU 79 1569 LYS 80 1570 ASP 81 1571 SER 82 1572 ASP 83 1573 ASP 84 1574 TYR 85 1575 ALA 86 1576 GLN 87 1577 LEU 88 1578 CYS 89 1579 ASN 90 1580 ILE 91 1581 PRO 92 1582 VAL 93 1583 THR 94 1584 GLY 95 1585 ARG 96 1586 ARG 97 1587 GLN 98 1588 PRO 99 1589 TYR 100 1590 GLY 101 1591 ARG 102 1592 ASP 103 1593 ALA 104 1594 LEU 105 1595 VAL 106 1596 ASP 107 1597 PHE 108 1598 SER 109 1599 GLU 110 1600 GLN 111 1601 TYR 112 1602 THR 113 1603 PRO 114 1604 GLU 115 1605 ALA 116 1606 ASP 117 1607 PRO 118 1608 TYR 119 1609 PHE 120 1610 ILE 121 1611 GLN 122 1612 ASP 123 1613 ARG 124 1614 PHE 125 1615 LEU 126 1616 ASN 127 1617 SER 128 1618 PHE 129 1619 GLU 130 1620 GLU 131 1621 LEU 132 1622 GLN 133 1623 ALA 134 1624 GLU 135 1625 GLU 136 1626 CYS 137 1627 GLY 138 1628 ILE 139 1629 LEU 140 1630 ASN 141 1631 GLY 142 1632 CYS 143 1633 GLU 144 1634 ASN 145 1635 GLY 146 1636 ARG 147 1637 CYS 148 1638 VAL 149 1639 ARG 150 1640 VAL 151 1641 GLN 152 1642 GLU 153 1643 GLY 154 1644 TYR 155 1645 THR 156 1646 CYS 157 1647 ASP 158 1648 CYS 159 1649 PHE 160 1650 ASP 161 1651 GLY 162 1652 TYR 163 1653 HIS 164 1654 LEU 165 1655 ASP 166 1656 THR 167 1657 ALA 168 1658 LYS 169 1659 MET 170 1660 THR 171 1661 CYS 172 1662 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-02-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB AAY15036 "unknown [Homo sapiens]" 52.33 150 100.00 100.00 7.61e-59 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CA (CALCIUM ION)" _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cb14TB3 Human 9606 Eukaryota Metazoa Homo sapiens $TB3E3 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $cb14TB3 'recombinant technology' . Escherichia coli . pQE30 $TB3E3 'recombinant technology' . Escherichia coli . pQE30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_LTBP1-cb14TB3-1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $cb14TB3 . mM 2 4 '[U-100% 15N]' $TB3E3 . mM 2 4 '[U-100% 15N]' 'Calcium Chloride' 20 mM . . 'natural abundance' stop_ save_ save_sample_LTBP1-cb14TB3-2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $cb14TB3 . mM 2 3 '[U-100% 15N]' $TB3E3 . mM 2 3 '[U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500 _Saveframe_category NMR_spectrometer _Manufacturer 'Home built' _Model OMEGA _Field_strength 500 _Details 'home-built console using GE/Omega data acquisition computer and software,triple-axis gradient probehead' save_ save_600 _Saveframe_category NMR_spectrometer _Manufacturer 'Home built' _Model OMEGA _Field_strength 600 _Details 'home-built console using GE/Omega data acquisition computer and software,triple-axis gradient probehead' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_LTBP1-cb14TB3-1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_LTBP1-cb14TB3-1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_LTBP1-cb14TB3-1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_LTBP1-cb14TB3-2 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_LTBP1-cb14TB3-2 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_LTBP1-cb14TB3-2 save_ save_3D_1H-15N_HSQC-NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N HSQC-NOESY-HSQC' _Sample_label $sample_LTBP1-cb14TB3-1 save_ save_3D_1H-15N_HSQC-NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N HSQC-NOESY-HSQC' _Sample_label $sample_LTBP1-cb14TB3-2 save_ ####################### # Sample conditions # ####################### save_sample_conditions-1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 60 . mM pH 5.9 . pH pressure 1 . atm temperature 273 . K stop_ save_ save_sample_conditions-2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . mM pH 6.9 . pH temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-15N HSQC-NOESY-HSQC' stop_ loop_ _Sample_label $sample_LTBP1-cb14TB3-1 stop_ _Sample_conditions_label $sample_conditions-1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name cb14TB3 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1468 3 ASP H H 8.402 0.020 1 2 1468 3 ASP HA H 4.588 0.020 1 3 1468 3 ASP HB2 H 2.726 0.020 2 4 1468 3 ASP HB3 H 2.468 0.020 2 5 1468 3 ASP N N 119.443 0.200 1 6 1469 4 MET H H 7.997 0.020 1 7 1469 4 MET HA H 4.456 0.020 1 8 1469 4 MET N N 122.385 0.200 1 9 1470 5 ASP H H 8.808 0.020 1 10 1470 5 ASP HA H 4.840 0.020 1 11 1470 5 ASP HB2 H 2.477 0.020 2 12 1470 5 ASP HB3 H 2.840 0.020 2 13 1470 5 ASP N N 123.880 0.200 1 14 1471 6 GLU H H 9.639 0.020 1 15 1471 6 GLU HA H 3.797 0.020 1 16 1471 6 GLU HB2 H 1.272 0.020 1 17 1471 6 GLU N N 126.496 0.200 1 18 1472 7 CYS H H 8.323 0.020 1 19 1472 7 CYS HA H 4.526 0.020 1 20 1472 7 CYS HB2 H 3.233 0.020 1 21 1472 7 CYS N N 115.868 0.200 1 22 1473 8 GLN H H 7.433 0.020 1 23 1473 8 GLN HA H 4.064 0.020 1 24 1473 8 GLN N N 117.908 0.200 1 25 1474 9 ASP H H 7.391 0.020 1 26 1474 9 ASP HA H 4.975 0.020 1 27 1474 9 ASP HB2 H 2.436 0.020 2 28 1474 9 ASP HB3 H 2.988 0.020 2 29 1474 9 ASP N N 120.345 0.200 1 30 1476 11 SER H H 8.526 0.020 1 31 1476 11 SER HA H 4.318 0.020 1 32 1476 11 SER HB2 H 3.936 0.020 1 33 1476 11 SER N N 113.833 0.200 1 34 1477 12 SER H H 7.816 0.020 1 35 1477 12 SER HA H 4.115 0.020 1 36 1477 12 SER HB2 H 3.364 0.020 2 37 1477 12 SER HB3 H 3.642 0.020 2 38 1477 12 SER N N 117.321 0.200 1 39 1480 15 ASP H H 9.104 0.020 1 40 1480 15 ASP HA H 4.343 0.020 1 41 1480 15 ASP HB2 H 2.910 0.020 2 42 1480 15 ASP HB3 H 3.040 0.020 2 43 1480 15 ASP N N 121.712 0.200 1 44 1481 16 GLY H H 7.166 0.020 1 45 1481 16 GLY HA2 H 3.664 0.020 2 46 1481 16 GLY HA3 H 4.715 0.020 2 47 1481 16 GLY N N 105.497 0.200 1 48 1482 17 GLN H H 8.801 0.020 1 49 1482 17 GLN HA H 4.617 0.020 1 50 1482 17 GLN N N 119.981 0.200 1 51 1483 18 CYS H H 8.937 0.020 1 52 1483 18 CYS HA H 5.283 0.020 1 53 1483 18 CYS HB2 H 3.123 0.020 2 54 1483 18 CYS HB3 H 2.669 0.020 2 55 1483 18 CYS N N 127.055 0.200 1 56 1484 19 VAL H H 9.410 0.020 1 57 1484 19 VAL HA H 4.388 0.020 1 58 1484 19 VAL HB H 2.050 0.020 1 59 1484 19 VAL HG1 H 1.025 0.020 2 60 1484 19 VAL HG2 H 1.019 0.020 2 61 1484 19 VAL N N 129.669 0.200 1 62 1485 20 ASN H H 9.228 0.020 1 63 1485 20 ASN HA H 4.884 0.020 1 64 1485 20 ASN HB2 H 2.996 0.020 2 65 1485 20 ASN HB3 H 2.665 0.020 2 66 1485 20 ASN N N 126.955 0.200 1 67 1486 21 THR H H 8.077 0.020 1 68 1486 21 THR HA H 4.676 0.020 1 69 1486 21 THR HB H 4.289 0.020 1 70 1486 21 THR HG2 H 1.044 0.020 1 71 1486 21 THR N N 117.236 0.200 1 72 1487 22 GLU H H 8.829 0.020 1 73 1487 22 GLU HA H 4.014 0.020 1 74 1487 22 GLU N N 122.456 0.200 1 75 1488 23 GLY H H 9.023 0.020 1 76 1488 23 GLY HA2 H 4.176 0.020 2 77 1488 23 GLY HA3 H 3.884 0.020 2 78 1488 23 GLY N N 115.269 0.200 1 79 1489 24 SER H H 7.045 0.020 1 80 1489 24 SER HA H 4.609 0.020 1 81 1489 24 SER HB2 H 3.576 0.020 2 82 1489 24 SER HB3 H 3.892 0.020 2 83 1489 24 SER N N 114.700 0.200 1 84 1490 25 TYR H H 8.979 0.020 1 85 1490 25 TYR HA H 5.040 0.020 1 86 1490 25 TYR HB2 H 3.585 0.020 2 87 1490 25 TYR HB3 H 2.945 0.020 2 88 1490 25 TYR HD1 H 6.886 0.020 3 89 1490 25 TYR HD2 H 6.886 0.020 3 90 1490 25 TYR HE1 H 6.662 0.020 3 91 1490 25 TYR HE2 H 6.662 0.020 3 92 1490 25 TYR N N 119.588 0.200 1 93 1491 26 ASN H H 9.400 0.020 1 94 1491 26 ASN HA H 4.766 0.020 1 95 1491 26 ASN HB2 H 2.266 0.020 2 96 1491 26 ASN HB3 H 2.059 0.020 2 97 1491 26 ASN N N 118.122 0.200 1 98 1492 27 CYS H H 8.345 0.020 1 99 1492 27 CYS HA H 5.333 0.020 1 100 1492 27 CYS HB2 H 2.696 0.020 1 101 1492 27 CYS N N 119.999 0.200 1 102 1493 28 PHE H H 8.950 0.020 1 103 1493 28 PHE HA H 4.884 0.020 1 104 1493 28 PHE HB2 H 2.961 0.020 2 105 1493 28 PHE HB3 H 3.163 0.020 2 106 1493 28 PHE N N 124.142 0.200 1 107 1494 29 CYS H H 8.787 0.020 1 108 1494 29 CYS HA H 5.117 0.020 1 109 1494 29 CYS HB2 H 2.665 0.020 2 110 1494 29 CYS HB3 H 2.353 0.020 2 111 1494 29 CYS N N 121.736 0.200 1 112 1495 30 THR H H 9.149 0.020 1 113 1495 30 THR HA H 4.278 0.020 1 114 1495 30 THR HB H 3.989 0.020 1 115 1495 30 THR HG2 H 1.307 0.020 1 116 1495 30 THR N N 121.363 0.200 1 117 1496 31 HIS H H 8.988 0.020 1 118 1496 31 HIS HA H 4.752 0.020 1 119 1496 31 HIS HB2 H 3.089 0.020 2 120 1496 31 HIS HB3 H 3.236 0.020 2 121 1496 31 HIS N N 128.846 0.200 1 122 1497 32 PRO HA H 3.726 0.020 1 123 1498 33 MET H H 8.868 0.020 1 124 1498 33 MET HA H 4.543 0.020 1 125 1498 33 MET HB2 H 2.183 0.020 1 126 1498 33 MET HG3 H 2.673 0.020 1 127 1498 33 MET N N 123.201 0.200 1 128 1499 34 VAL H H 8.808 0.020 1 129 1499 34 VAL HA H 4.524 0.020 1 130 1499 34 VAL HB H 2.122 0.020 1 131 1499 34 VAL HG1 H 0.737 0.020 2 132 1499 34 VAL HG2 H 0.888 0.020 2 133 1499 34 VAL N N 113.496 0.200 1 134 1502 37 ALA H H 8.041 0.020 1 135 1502 37 ALA HB H 1.403 0.020 1 136 1502 37 ALA N N 115.735 0.200 1 137 1503 38 SER H H 7.106 0.020 1 138 1503 38 SER HA H 4.879 0.020 1 139 1503 38 SER N N 117.864 0.200 1 140 1504 39 GLU H H 8.329 0.020 1 141 1504 39 GLU HA H 5.134 0.020 1 142 1504 39 GLU N N 123.687 0.200 1 143 1505 40 LYS H H 9.681 0.020 1 144 1505 40 LYS HA H 4.674 0.020 1 145 1505 40 LYS N N 118.294 0.200 1 146 1511 46 ALA H H 8.389 0.020 1 147 1511 46 ALA HA H 4.251 0.020 1 148 1511 46 ALA HB H 1.389 0.020 1 149 1511 46 ALA N N 123.758 0.200 1 150 1512 47 GLU H H 8.419 0.020 1 151 1512 47 GLU HA H 4.317 0.020 1 152 1512 47 GLU N N 119.659 0.200 1 153 1513 48 SER H H 8.301 0.020 1 154 1513 48 SER HA H 4.451 0.020 1 155 1513 48 SER N N 116.667 0.200 1 156 1514 49 ASN H H 8.505 0.020 1 157 1514 49 ASN HB3 H 2.794 0.020 1 158 1514 49 ASN N N 120.964 0.200 1 159 1515 50 GLU H H 8.353 0.020 1 160 1515 50 GLU HA H 4.255 0.020 1 161 1515 50 GLU N N 120.791 0.200 1 162 1516 51 GLN H H 8.354 0.020 1 163 1516 51 GLN HA H 4.333 0.020 1 164 1516 51 GLN N N 121.075 0.200 1 165 1517 52 ILE H H 8.142 0.020 1 166 1517 52 ILE HA H 4.150 0.020 1 167 1517 52 ILE N N 122.211 0.200 1 168 1518 53 GLU H H 8.477 0.020 1 169 1518 53 GLU HA H 4.323 0.020 1 170 1518 53 GLU N N 124.507 0.200 1 171 1519 54 GLU H H 8.503 0.020 1 172 1519 54 GLU HA H 4.318 0.020 1 173 1519 54 GLU N N 122.354 0.200 1 174 1520 55 THR H H 8.142 0.020 1 175 1520 55 THR HA H 4.338 0.020 1 176 1520 55 THR HG2 H 1.191 0.020 1 177 1520 55 THR N N 114.923 0.200 1 178 1521 56 ASP H H 8.413 0.020 1 179 1521 56 ASP HA H 4.708 0.020 1 180 1521 56 ASP N N 122.547 0.200 1 181 1522 57 VAL H H 7.948 0.020 1 182 1522 57 VAL HA H 4.186 0.020 1 183 1522 57 VAL N N 118.657 0.200 1 184 1523 58 TYR H H 8.267 0.020 1 185 1523 58 TYR HA H 4.676 0.020 1 186 1523 58 TYR N N 123.934 0.200 1 187 1524 59 GLN H H 8.053 0.020 1 188 1524 59 GLN HA H 5.013 0.020 1 189 1524 59 GLN N N 120.525 0.200 1 190 1525 60 ASP H H 9.406 0.020 1 191 1525 60 ASP HA H 4.697 0.020 1 192 1525 60 ASP N N 119.965 0.200 1 193 1526 61 LEU H H 9.403 0.020 1 194 1526 61 LEU HA H 4.137 0.020 1 195 1526 61 LEU N N 121.493 0.200 1 196 1527 62 CYS H H 9.213 0.020 1 197 1527 62 CYS HA H 5.319 0.020 1 198 1527 62 CYS HB2 H 3.585 0.020 2 199 1527 62 CYS HB3 H 2.637 0.020 2 200 1527 62 CYS N N 120.561 0.200 1 201 1528 63 TRP H H 8.733 0.020 1 202 1528 63 TRP HA H 4.652 0.020 1 203 1528 63 TRP HB2 H 2.854 0.020 2 204 1528 63 TRP HB3 H 3.410 0.020 2 205 1528 63 TRP HD1 H 7.153 0.020 1 206 1528 63 TRP HE1 H 9.579 0.020 1 207 1528 63 TRP HZ2 H 7.544 0.020 1 208 1528 63 TRP HH2 H 7.164 0.020 1 209 1528 63 TRP N N 127.985 0.200 1 210 1528 63 TRP NE1 N 130.385 0.200 1 211 1529 64 GLU H H 9.254 0.020 1 212 1529 64 GLU HA H 4.337 0.020 1 213 1529 64 GLU HB2 H 2.380 0.020 1 214 1529 64 GLU N N 121.650 0.200 1 215 1530 65 HIS H H 8.216 0.020 1 216 1530 65 HIS HA H 5.029 0.020 1 217 1530 65 HIS HB2 H 3.202 0.020 2 218 1530 65 HIS HB3 H 2.778 0.020 2 219 1530 65 HIS N N 114.253 0.200 1 220 1531 66 LEU H H 8.062 0.020 1 221 1531 66 LEU HA H 4.745 0.020 1 222 1531 66 LEU N N 126.274 0.200 1 223 1532 67 SER H H 8.449 0.020 1 224 1532 67 SER HA H 4.508 0.020 1 225 1532 67 SER N N 119.573 0.200 1 226 1533 68 ASP H H 8.896 0.020 1 227 1533 68 ASP HA H 4.205 0.020 1 228 1533 68 ASP HB2 H 2.674 0.020 1 229 1533 68 ASP N N 120.500 0.200 1 230 1534 69 GLU H H 7.512 0.020 1 231 1534 69 GLU HA H 4.168 0.020 1 232 1534 69 GLU HB2 H 2.169 0.020 2 233 1534 69 GLU HB3 H 1.686 0.020 2 234 1534 69 GLU N N 116.305 0.200 1 235 1535 70 TYR H H 7.742 0.020 1 236 1535 70 TYR HA H 3.767 0.020 1 237 1535 70 TYR HB2 H 3.235 0.020 2 238 1535 70 TYR HB3 H 3.151 0.020 2 239 1535 70 TYR HD1 H 6.969 0.020 3 240 1535 70 TYR HD2 H 6.969 0.020 3 241 1535 70 TYR HE1 H 6.846 0.020 3 242 1535 70 TYR HE2 H 6.846 0.020 3 243 1535 70 TYR N N 115.145 0.200 1 244 1536 71 VAL H H 7.403 0.020 1 245 1536 71 VAL HA H 4.043 0.020 1 246 1536 71 VAL N N 117.353 0.200 1 247 1537 72 CYS H H 8.455 0.020 1 248 1537 72 CYS HA H 4.483 0.020 1 249 1537 72 CYS N N 129.976 0.200 1 250 1538 73 SER H H 8.920 0.020 1 251 1538 73 SER HA H 4.622 0.020 1 252 1538 73 SER HB2 H 3.879 0.020 2 253 1538 73 SER HB3 H 3.948 0.020 2 254 1538 73 SER N N 115.446 0.200 1 255 1539 74 ARG H H 9.181 0.020 1 256 1539 74 ARG HA H 4.231 0.020 1 257 1539 74 ARG N N 113.690 0.200 1 258 1541 76 LEU H H 8.462 0.020 1 259 1541 76 LEU HA H 4.345 0.020 1 260 1541 76 LEU N N 122.968 0.200 1 261 1542 77 VAL H H 8.070 0.020 1 262 1542 77 VAL HA H 3.665 0.020 1 263 1542 77 VAL N N 125.082 0.200 1 264 1543 78 GLY H H 8.624 0.020 1 265 1543 78 GLY HA2 H 4.001 0.020 2 266 1543 78 GLY HA3 H 3.661 0.020 2 267 1543 78 GLY N N 113.775 0.200 1 268 1544 79 LYS H H 7.031 0.020 1 269 1544 79 LYS HA H 4.506 0.020 1 270 1544 79 LYS N N 118.255 0.200 1 271 1545 80 GLN H H 8.578 0.020 1 272 1545 80 GLN HA H 4.348 0.020 1 273 1545 80 GLN N N 123.829 0.200 1 274 1546 81 THR H H 9.095 0.020 1 275 1546 81 THR HA H 5.334 0.020 1 276 1546 81 THR N N 110.805 0.200 1 277 1547 82 THR H H 9.086 0.020 1 278 1547 82 THR HA H 5.061 0.020 1 279 1547 82 THR N N 115.888 0.200 1 280 1548 83 TYR H H 8.631 0.020 1 281 1548 83 TYR HA H 4.676 0.020 1 282 1548 83 TYR HD1 H 6.739 0.020 3 283 1548 83 TYR HD2 H 6.739 0.020 3 284 1548 83 TYR HE1 H 6.561 0.020 3 285 1548 83 TYR HE2 H 6.561 0.020 3 286 1548 83 TYR N N 124.915 0.200 1 287 1549 84 THR H H 7.802 0.020 1 288 1549 84 THR HA H 3.276 0.020 1 289 1549 84 THR HB H 3.857 0.020 1 290 1549 84 THR N N 113.273 0.200 1 291 1550 85 GLU H H 7.487 0.020 1 292 1550 85 GLU HA H 3.750 0.020 1 293 1550 85 GLU N N 120.360 0.200 1 294 1551 86 CYS H H 8.331 0.020 1 295 1551 86 CYS N N 114.473 0.200 1 296 1552 87 CYS H H 8.422 0.020 1 297 1552 87 CYS HA H 4.632 0.020 1 298 1552 87 CYS N N 115.033 0.200 1 299 1553 88 CYS H H 8.482 0.020 1 300 1553 88 CYS HA H 4.803 0.020 1 301 1553 88 CYS HB2 H 2.665 0.020 2 302 1553 88 CYS HB3 H 2.849 0.020 2 303 1553 88 CYS N N 115.341 0.200 1 304 1554 89 LEU H H 7.649 0.020 1 305 1554 89 LEU HA H 4.526 0.020 1 306 1554 89 LEU N N 116.638 0.200 1 307 1555 90 TYR H H 7.608 0.020 1 308 1555 90 TYR HA H 5.137 0.020 1 309 1555 90 TYR HB2 H 3.281 0.020 2 310 1555 90 TYR HB3 H 3.114 0.020 2 311 1555 90 TYR HD1 H 7.043 0.020 3 312 1555 90 TYR HD2 H 7.043 0.020 3 313 1555 90 TYR HE1 H 6.768 0.020 3 314 1555 90 TYR HE2 H 6.768 0.020 3 315 1555 90 TYR N N 115.830 0.200 1 316 1556 91 GLY H H 9.017 0.020 1 317 1556 91 GLY HA2 H 3.894 0.020 2 318 1556 91 GLY HA3 H 4.816 0.020 2 319 1556 91 GLY N N 108.506 0.200 1 320 1557 92 GLU H H 8.430 0.020 1 321 1557 92 GLU HA H 4.396 0.020 1 322 1557 92 GLU N N 115.394 0.200 1 323 1558 93 ALA H H 8.314 0.020 1 324 1558 93 ALA HA H 5.152 0.020 1 325 1558 93 ALA HB H 1.456 0.020 1 326 1558 93 ALA N N 120.994 0.200 1 327 1559 94 TRP H H 9.766 0.020 1 328 1559 94 TRP HA H 5.657 0.020 1 329 1559 94 TRP HB2 H 3.404 0.020 2 330 1559 94 TRP HB3 H 3.037 0.020 2 331 1559 94 TRP HD1 H 6.863 0.020 1 332 1559 94 TRP HE1 H 10.361 0.020 1 333 1559 94 TRP HE3 H 7.162 0.020 1 334 1559 94 TRP HZ2 H 7.281 0.020 1 335 1559 94 TRP HZ3 H 7.518 0.020 1 336 1559 94 TRP HH2 H 7.098 0.020 1 337 1559 94 TRP N N 119.962 0.200 1 338 1559 94 TRP NE1 N 130.584 0.200 1 339 1560 95 GLY H H 9.127 0.020 1 340 1560 95 GLY HA2 H 3.062 0.020 2 341 1560 95 GLY HA3 H 3.619 0.020 2 342 1560 95 GLY N N 114.614 0.200 1 343 1561 96 MET H H 8.762 0.020 1 344 1561 96 MET HA H 4.546 0.020 1 345 1561 96 MET HB2 H 2.173 0.020 1 346 1561 96 MET N N 121.148 0.200 1 347 1562 97 GLN H H 8.991 0.020 1 348 1562 97 GLN HA H 4.411 0.020 1 349 1562 97 GLN N N 116.241 0.200 1 350 1563 98 CYS H H 8.230 0.020 1 351 1563 98 CYS HA H 3.663 0.020 1 352 1563 98 CYS HB2 H 3.379 0.020 2 353 1563 98 CYS HB3 H 2.360 0.020 2 354 1563 98 CYS N N 122.749 0.200 1 355 1564 99 ALA H H 8.838 0.020 1 356 1564 99 ALA HA H 4.537 0.020 1 357 1564 99 ALA HB H 1.774 0.020 1 358 1564 99 ALA N N 122.998 0.200 1 359 1565 100 LEU H H 8.509 0.020 1 360 1565 100 LEU HA H 4.212 0.020 1 361 1565 100 LEU N N 122.119 0.200 1 362 1566 101 CYS H H 7.631 0.020 1 363 1566 101 CYS HA H 5.116 0.020 1 364 1566 101 CYS HB2 H 2.575 0.020 2 365 1566 101 CYS HB3 H 2.988 0.020 2 366 1566 101 CYS N N 121.411 0.200 1 367 1568 103 LEU H H 8.602 0.020 1 368 1568 103 LEU HA H 4.184 0.020 1 369 1568 103 LEU N N 121.287 0.200 1 370 1569 104 LYS H H 8.589 0.020 1 371 1569 104 LYS N N 122.713 0.200 1 372 1570 105 ASP H H 7.579 0.020 1 373 1570 105 ASP HA H 4.517 0.020 1 374 1570 105 ASP HB2 H 2.685 0.020 2 375 1570 105 ASP HB3 H 2.812 0.020 2 376 1570 105 ASP N N 115.564 0.200 1 377 1571 106 SER H H 7.895 0.020 1 378 1571 106 SER HA H 4.659 0.020 1 379 1571 106 SER N N 115.097 0.200 1 380 1572 107 ASP H H 9.202 0.020 1 381 1572 107 ASP HA H 4.512 0.020 1 382 1572 107 ASP HB2 H 2.722 0.020 1 383 1572 107 ASP N N 124.038 0.200 1 384 1573 108 ASP H H 8.392 0.020 1 385 1573 108 ASP HA H 4.369 0.020 1 386 1573 108 ASP HB2 H 2.675 0.020 1 387 1573 108 ASP N N 118.431 0.200 1 388 1574 109 TYR H H 7.967 0.020 1 389 1574 109 TYR HA H 3.709 0.020 1 390 1574 109 TYR HB2 H 2.844 0.020 2 391 1574 109 TYR HB3 H 3.127 0.020 2 392 1574 109 TYR HD1 H 6.893 0.020 3 393 1574 109 TYR HD2 H 6.893 0.020 3 394 1574 109 TYR HE1 H 6.835 0.020 3 395 1574 109 TYR HE2 H 6.835 0.020 3 396 1574 109 TYR N N 122.228 0.200 1 397 1575 110 ALA H H 7.703 0.020 1 398 1575 110 ALA HA H 3.972 0.020 1 399 1575 110 ALA HB H 1.608 0.020 1 400 1575 110 ALA N N 121.377 0.200 1 401 1576 111 GLN H H 7.879 0.020 1 402 1576 111 GLN HA H 4.026 0.020 1 403 1576 111 GLN N N 114.885 0.200 1 404 1577 112 LEU H H 7.678 0.020 1 405 1577 112 LEU HA H 4.035 0.020 1 406 1577 112 LEU HD1 H 0.951 0.020 2 407 1577 112 LEU HD2 H 0.546 0.020 2 408 1577 112 LEU N N 120.432 0.200 1 409 1578 113 CYS H H 7.974 0.020 1 410 1578 113 CYS HA H 4.609 0.020 1 411 1578 113 CYS HB2 H 2.967 0.020 2 412 1578 113 CYS HB3 H 1.899 0.020 2 413 1578 113 CYS N N 111.722 0.200 1 414 1579 114 ASN H H 7.757 0.020 1 415 1579 114 ASN HA H 4.583 0.020 1 416 1579 114 ASN HB2 H 2.916 0.020 2 417 1579 114 ASN HB3 H 2.798 0.020 2 418 1579 114 ASN N N 119.465 0.200 1 419 1580 115 ILE H H 8.001 0.020 1 420 1580 115 ILE HA H 4.428 0.020 1 421 1580 115 ILE N N 121.310 0.200 1 422 1581 116 PRO HA H 4.438 0.020 1 423 1581 116 PRO HB2 H 2.238 0.020 2 424 1581 116 PRO HB3 H 1.936 0.020 2 425 1582 117 VAL H H 7.732 0.020 1 426 1582 117 VAL HA H 4.021 0.020 1 427 1582 117 VAL HB H 2.071 0.020 1 428 1582 117 VAL HG1 H 0.902 0.020 1 429 1582 117 VAL N N 124.086 0.200 1 stop_ save_ save_assigned_chemical_shifts-2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-15N HSQC-NOESY-HSQC' stop_ loop_ _Sample_label $sample_LTBP1-cb14TB3-2 stop_ _Sample_conditions_label $sample_conditions-2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TB3E3 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1507 17 SER H H 8.216 0.020 1 2 1507 17 SER N N 116.150 0.200 1 3 1508 18 ALA H H 8.265 0.020 1 4 1508 18 ALA N N 125.760 0.200 1 5 1509 19 ARG H H 8.236 0.020 1 6 1509 19 ARG N N 121.296 0.200 1 7 1511 21 ALA H H 8.422 0.020 1 8 1511 21 ALA N N 124.300 0.200 1 9 1512 22 GLU H H 8.455 0.020 1 10 1512 22 GLU N N 119.738 0.200 1 11 1514 24 ASN H H 8.476 0.020 1 12 1514 24 ASN N N 120.877 0.200 1 13 1515 25 GLU H H 8.328 0.020 1 14 1515 25 GLU N N 120.802 0.200 1 15 1516 26 GLN H H 8.337 0.020 1 16 1516 26 GLN N N 121.268 0.200 1 17 1517 27 ILE H H 8.125 0.020 1 18 1517 27 ILE N N 122.414 0.200 1 19 1518 28 GLU H H 8.469 0.020 1 20 1518 28 GLU N N 124.930 0.200 1 21 1519 29 GLU H H 8.496 0.020 1 22 1519 29 GLU N N 122.784 0.200 1 23 1520 30 THR H H 8.087 0.020 1 24 1520 30 THR N N 114.412 0.200 1 25 1521 31 ASP H H 8.435 0.020 1 26 1521 31 ASP N N 122.622 0.200 1 27 1522 32 VAL H H 7.935 0.020 1 28 1522 32 VAL N N 118.047 0.200 1 29 1523 33 TYR H H 8.218 0.020 1 30 1523 33 TYR N N 124.230 0.200 1 31 1524 34 GLN H H 8.006 0.020 1 32 1524 34 GLN N N 120.373 0.200 1 33 1525 35 ASP H H 9.404 0.020 1 34 1525 35 ASP N N 120.056 0.200 1 35 1526 36 LEU H H 9.408 0.020 1 36 1526 36 LEU N N 121.790 0.200 1 37 1527 37 CYS H H 9.231 0.020 1 38 1527 37 CYS N N 120.849 0.200 1 39 1528 38 TRP H H 8.705 0.020 1 40 1528 38 TRP HE1 H 9.587 0.020 1 41 1528 38 TRP N N 128.981 0.200 1 42 1528 38 TRP NE1 N 131.639 0.200 1 43 1529 39 GLU H H 9.241 0.020 1 44 1529 39 GLU N N 122.162 0.200 1 45 1530 40 HIS H H 8.185 0.020 1 46 1530 40 HIS N N 113.999 0.200 1 47 1531 41 LEU H H 8.058 0.020 1 48 1531 41 LEU N N 127.059 0.200 1 49 1533 43 ASP H H 8.888 0.020 1 50 1533 43 ASP N N 120.610 0.200 1 51 1534 44 GLU H H 7.488 0.020 1 52 1534 44 GLU N N 116.196 0.200 1 53 1535 45 TYR H H 7.771 0.020 1 54 1535 45 TYR N N 114.979 0.200 1 55 1536 46 VAL H H 7.400 0.020 1 56 1536 46 VAL N N 117.225 0.200 1 57 1538 48 SER H H 8.948 0.020 1 58 1538 48 SER N N 115.272 0.200 1 59 1539 49 ARG H H 9.166 0.020 1 60 1539 49 ARG N N 113.181 0.200 1 61 1541 51 LEU H H 8.460 0.020 1 62 1541 51 LEU N N 123.492 0.200 1 63 1542 52 VAL H H 8.079 0.020 1 64 1542 52 VAL N N 125.693 0.200 1 65 1543 53 GLY H H 8.620 0.020 1 66 1543 53 GLY N N 113.417 0.200 1 67 1544 54 LYS H H 7.018 0.020 1 68 1544 54 LYS N N 118.291 0.200 1 69 1545 55 GLN H H 8.584 0.020 1 70 1545 55 GLN N N 124.482 0.200 1 71 1546 56 THR H H 9.084 0.020 1 72 1546 56 THR N N 110.155 0.200 1 73 1547 57 THR H H 9.040 0.020 1 74 1547 57 THR N N 115.711 0.200 1 75 1548 58 TYR H H 8.618 0.020 1 76 1548 58 TYR N N 125.477 0.200 1 77 1549 59 THR H H 7.827 0.020 1 78 1549 59 THR N N 112.943 0.200 1 79 1550 60 GLU H H 7.475 0.020 1 80 1550 60 GLU N N 120.569 0.200 1 81 1551 61 CYS H H 8.330 0.020 1 82 1551 61 CYS N N 114.168 0.200 1 83 1552 62 CYS H H 8.407 0.020 1 84 1552 62 CYS N N 114.678 0.200 1 85 1553 63 CYS H H 8.455 0.020 1 86 1553 63 CYS N N 114.968 0.200 1 87 1554 64 LEU H H 7.649 0.020 1 88 1554 64 LEU N N 116.473 0.200 1 89 1555 65 TYR H H 7.593 0.020 1 90 1555 65 TYR N N 115.544 0.200 1 91 1556 66 GLY H H 8.982 0.020 1 92 1556 66 GLY N N 107.465 0.200 1 93 1557 67 GLU H H 8.395 0.020 1 94 1557 67 GLU N N 115.282 0.200 1 95 1559 69 TRP H H 9.762 0.020 1 96 1559 69 TRP HE1 H 10.362 0.020 1 97 1559 69 TRP N N 119.996 0.200 1 98 1559 69 TRP NE1 N 131.652 0.200 1 99 1560 70 GLY H H 9.155 0.020 1 100 1560 70 GLY N N 115.078 0.200 1 101 1561 71 MET H H 8.680 0.020 1 102 1561 71 MET N N 120.585 0.200 1 103 1562 72 GLN H H 8.806 0.020 1 104 1562 72 GLN N N 115.384 0.200 1 105 1563 73 CYS H H 8.221 0.020 1 106 1563 73 CYS N N 122.325 0.200 1 107 1564 74 ALA H H 8.858 0.020 1 108 1564 74 ALA N N 123.437 0.200 1 109 1566 76 CYS H H 7.632 0.020 1 110 1566 76 CYS N N 121.811 0.200 1 111 1568 78 LEU H H 8.607 0.020 1 112 1568 78 LEU N N 121.575 0.200 1 113 1569 79 LYS H H 8.605 0.020 1 114 1569 79 LYS N N 123.144 0.200 1 115 1570 80 ASP H H 7.594 0.020 1 116 1570 80 ASP N N 115.340 0.200 1 117 1571 81 SER H H 7.860 0.020 1 118 1571 81 SER N N 114.657 0.200 1 119 1572 82 ASP H H 9.225 0.020 1 120 1572 82 ASP N N 124.669 0.200 1 121 1573 83 ASP H H 8.393 0.020 1 122 1573 83 ASP N N 118.381 0.200 1 123 1574 84 TYR H H 7.965 0.020 1 124 1574 84 TYR N N 122.613 0.200 1 125 1575 85 ALA H H 7.700 0.020 1 126 1575 85 ALA N N 121.662 0.200 1 127 1576 86 GLN H H 7.914 0.020 1 128 1576 86 GLN N N 114.655 0.200 1 129 1577 87 LEU H H 7.723 0.020 1 130 1577 87 LEU N N 120.676 0.200 1 131 1578 88 CYS H H 7.973 0.020 1 132 1578 88 CYS N N 110.965 0.200 1 133 1579 89 ASN H H 7.764 0.020 1 134 1579 89 ASN N N 119.397 0.200 1 135 1582 92 VAL H H 8.288 0.020 1 136 1582 92 VAL N N 120.323 0.200 1 137 1583 93 THR H H 8.070 0.020 1 138 1583 93 THR N N 115.850 0.200 1 139 1584 94 GLY H H 8.342 0.020 1 140 1584 94 GLY N N 110.926 0.200 1 141 1589 99 TYR H H 8.133 0.020 1 142 1589 99 TYR N N 119.785 0.200 1 143 1590 100 GLY H H 8.272 0.020 1 144 1590 100 GLY N N 110.621 0.200 1 145 1591 101 ARG H H 8.160 0.020 1 146 1591 101 ARG N N 120.511 0.200 1 147 1592 102 ASP H H 8.362 0.020 1 148 1592 102 ASP N N 120.490 0.200 1 149 1593 103 ALA H H 8.035 0.020 1 150 1593 103 ALA N N 123.565 0.200 1 151 1594 104 LEU H H 8.118 0.020 1 152 1594 104 LEU N N 120.590 0.200 1 153 1595 105 VAL H H 7.862 0.020 1 154 1595 105 VAL N N 119.940 0.200 1 155 1596 106 ASP H H 8.198 0.020 1 156 1596 106 ASP N N 123.296 0.200 1 157 1597 107 PHE H H 8.184 0.020 1 158 1597 107 PHE N N 121.665 0.200 1 159 1598 108 SER H H 8.227 0.020 1 160 1598 108 SER N N 117.275 0.200 1 161 1599 109 GLU H H 8.275 0.020 1 162 1599 109 GLU N N 122.365 0.200 1 163 1600 110 GLN H H 8.158 0.020 1 164 1600 110 GLN N N 120.289 0.200 1 165 1601 111 TYR H H 8.187 0.020 1 166 1601 111 TYR N N 122.222 0.200 1 167 1602 112 THR H H 7.969 0.020 1 168 1602 112 THR N N 120.192 0.200 1 169 1604 114 GLU H H 8.413 0.020 1 170 1604 114 GLU N N 119.926 0.200 1 171 1605 115 ALA H H 8.070 0.020 1 172 1605 115 ALA N N 124.297 0.200 1 173 1606 116 ASP H H 8.140 0.020 1 174 1606 116 ASP N N 121.335 0.200 1 175 1608 118 TYR H H 8.246 0.020 1 176 1608 118 TYR N N 118.881 0.200 1 177 1609 119 PHE H H 7.734 0.020 1 178 1609 119 PHE N N 121.026 0.200 1 179 1610 120 ILE H H 7.841 0.020 1 180 1610 120 ILE N N 123.145 0.200 1 181 1611 121 GLN H H 8.213 0.020 1 182 1611 121 GLN N N 123.879 0.200 1 183 1612 122 ASP H H 8.270 0.020 1 184 1612 122 ASP N N 121.533 0.200 1 185 1613 123 ARG H H 8.062 0.020 1 186 1613 123 ARG N N 120.738 0.200 1 187 1614 124 PHE H H 8.199 0.020 1 188 1614 124 PHE N N 120.186 0.200 1 189 1615 125 LEU H H 8.029 0.020 1 190 1615 125 LEU N N 122.679 0.200 1 191 1616 126 ASN H H 8.282 0.020 1 192 1616 126 ASN N N 118.787 0.200 1 193 1617 127 SER H H 8.102 0.020 1 194 1617 127 SER N N 115.592 0.200 1 195 1621 131 LEU H H 8.237 0.020 1 196 1621 131 LEU N N 123.407 0.200 1 197 1622 132 GLN H H 8.408 0.020 1 198 1622 132 GLN N N 121.192 0.200 1 199 1623 133 ALA H H 8.325 0.020 1 200 1623 133 ALA N N 125.169 0.200 1 201 1624 134 GLU H H 8.403 0.020 1 202 1624 134 GLU N N 119.400 0.200 1 203 1628 138 ILE H H 7.363 0.020 1 204 1628 138 ILE N N 120.255 0.200 1 205 1629 139 LEU H H 8.229 0.020 1 206 1629 139 LEU N N 126.470 0.200 1 207 1630 140 ASN H H 8.395 0.020 1 208 1630 140 ASN N N 117.484 0.200 1 209 1631 141 GLY H H 7.937 0.020 1 210 1631 141 GLY N N 107.146 0.200 1 211 1632 142 CYS H H 8.497 0.020 1 212 1632 142 CYS N N 115.327 0.200 1 213 1633 143 GLU H H 8.076 0.020 1 214 1633 143 GLU N N 121.668 0.200 1 215 1634 144 ASN H H 8.578 0.020 1 216 1634 144 ASN N N 116.996 0.200 1 217 1635 145 GLY H H 6.813 0.020 1 218 1635 145 GLY N N 104.156 0.200 1 219 1636 146 ARG H H 7.895 0.020 1 220 1636 146 ARG N N 117.527 0.200 1 221 1637 147 CYS H H 9.047 0.020 1 222 1637 147 CYS N N 125.540 0.200 1 223 1638 148 VAL H H 8.891 0.020 1 224 1638 148 VAL N N 125.240 0.200 1 225 1639 149 ARG H H 8.641 0.020 1 226 1639 149 ARG N N 125.017 0.200 1 227 1640 150 VAL H H 8.178 0.020 1 228 1640 150 VAL N N 121.550 0.200 1 229 1641 151 GLN H H 8.695 0.020 1 230 1641 151 GLN N N 122.482 0.200 1 231 1642 152 GLU H H 8.520 0.020 1 232 1642 152 GLU N N 116.878 0.200 1 233 1643 153 GLY H H 7.594 0.020 1 234 1643 153 GLY N N 109.152 0.200 1 235 1644 154 TYR H H 8.368 0.020 1 236 1644 154 TYR N N 120.325 0.200 1 237 1645 155 THR H H 9.097 0.020 1 238 1645 155 THR N N 115.777 0.200 1 239 1646 156 CYS H H 7.678 0.020 1 240 1646 156 CYS N N 117.541 0.200 1 241 1647 157 ASP H H 9.159 0.020 1 242 1647 157 ASP N N 125.712 0.200 1 243 1648 158 CYS H H 8.379 0.020 1 244 1648 158 CYS N N 123.451 0.200 1 245 1649 159 PHE H H 8.493 0.020 1 246 1649 159 PHE N N 122.425 0.200 1 247 1650 160 ASP H H 8.539 0.020 1 248 1650 160 ASP N N 119.578 0.200 1 249 1651 161 GLY H H 8.658 0.020 1 250 1651 161 GLY N N 112.038 0.200 1 251 1652 162 TYR H H 8.226 0.020 1 252 1652 162 TYR N N 119.195 0.200 1 253 1653 163 HIS H H 9.746 0.020 1 254 1653 163 HIS N N 116.632 0.200 1 255 1654 164 LEU H H 8.786 0.020 1 256 1654 164 LEU N N 125.328 0.200 1 257 1655 165 ASP H H 9.110 0.020 1 258 1655 165 ASP N N 128.615 0.200 1 259 1656 166 THR H H 8.576 0.020 1 260 1656 166 THR N N 117.449 0.200 1 261 1660 170 THR H H 7.405 0.020 1 262 1660 170 THR N N 109.971 0.200 1 263 1661 171 CYS H H 7.991 0.020 1 264 1661 171 CYS N N 122.944 0.200 1 265 1662 172 VAL H H 9.319 0.020 1 266 1662 172 VAL N N 125.734 0.200 1 stop_ save_