################################### # 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 52406 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name AtREM41 _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 $chem_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' . . . 52406 1 2 '2D 1H-1H TOCSY' . . . 52406 1 3 '2D 1H-1H NOESY' . . . 52406 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52406 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA H H 1 8.267 0.009 . 1 . . 1634 . . 1 ALA H . 52406 1 2 . 1 . 1 1 1 ALA HA H 1 4.109 0.012 . 1 . . 1637 . . 1 ALA HA . 52406 1 3 . 1 . 1 1 1 ALA HB1 H 1 1.260 0.012 . 1 . . 1638 . . 1 ALA HB1 . 52406 1 4 . 1 . 1 1 1 ALA HB2 H 1 1.260 0.012 . 1 . . 1638 . . 1 ALA HB2 . 52406 1 5 . 1 . 1 1 1 ALA HB3 H 1 1.260 0.012 . 1 . . 1638 . . 1 ALA HB3 . 52406 1 6 . 1 . 1 1 1 ALA N N 15 129.730 . . 1 . . 1604 . . 1 ALA N . 52406 1 7 . 1 . 1 2 2 ASN H H 1 8.436 0.012 . 1 . . 1525 . . 2 ASN H . 52406 1 8 . 1 . 1 2 2 ASN HA H 1 4.551 0.015 . 1 . . 1529 . . 2 ASN HA . 52406 1 9 . 1 . 1 2 2 ASN HB2 H 1 2.733 0.015 . 2 . . 1527 . . 2 ASN HB2 . 52406 1 10 . 1 . 1 2 2 ASN HB3 H 1 2.680 0.006 . 2 . . 1528 . . 2 ASN HB3 . 52406 1 11 . 1 . 1 2 2 ASN HD21 H 1 7.523 0.002 . 1 . . 1886 . . 2 ASN HD21 . 52406 1 12 . 1 . 1 2 2 ASN HD22 H 1 6.816 0.001 . 1 . . 1887 . . 2 ASN HD22 . 52406 1 13 . 1 . 1 2 2 ASN N N 15 116.216 . . 1 . . 1526 . . 2 ASN N . 52406 1 14 . 1 . 1 2 2 ASN ND2 N 15 112.559 . . 1 . . 1956 . . 2 ASN ND2 . 52406 1 15 . 1 . 1 3 3 LEU H H 1 7.941 0.006 . 1 . . 1534 . . 3 LEU H . 52406 1 16 . 1 . 1 3 3 LEU HA H 1 4.218 0.014 . 1 . . 1535 . . 3 LEU HA . 52406 1 17 . 1 . 1 3 3 LEU HB2 H 1 1.573 0.002 . 1 . . 1537 . . 3 LEU HB2 . 52406 1 18 . 1 . 1 3 3 LEU HG H 1 1.492 0.016 . 1 . . 1538 . . 3 LEU HG . 52406 1 19 . 1 . 1 3 3 LEU HD11 H 1 0.757 0.012 . 2 . . 1539 . . 3 LEU HD11 . 52406 1 20 . 1 . 1 3 3 LEU HD12 H 1 0.757 0.012 . 2 . . 1539 . . 3 LEU HD12 . 52406 1 21 . 1 . 1 3 3 LEU HD13 H 1 0.757 0.012 . 2 . . 1539 . . 3 LEU HD13 . 52406 1 22 . 1 . 1 3 3 LEU HD21 H 1 0.826 0.012 . 2 . . 1540 . . 3 LEU HD21 . 52406 1 23 . 1 . 1 3 3 LEU HD22 H 1 0.826 0.012 . 2 . . 1540 . . 3 LEU HD22 . 52406 1 24 . 1 . 1 3 3 LEU HD23 H 1 0.826 0.012 . 2 . . 1540 . . 3 LEU HD23 . 52406 1 25 . 1 . 1 3 3 LEU N N 15 121.869 . . 1 . . 1536 . . 3 LEU N . 52406 1 26 . 1 . 1 4 4 MET H H 1 8.112 0.008 . 1 . . 1616 . . 4 MET H . 52406 1 27 . 1 . 1 4 4 MET HA H 1 4.336 0.006 . 1 . . 1618 . . 4 MET HA . 52406 1 28 . 1 . 1 4 4 MET HB2 H 1 2.433 0.016 . 2 . . 1619 . . 4 MET HB2 . 52406 1 29 . 1 . 1 4 4 MET HB3 H 1 2.525 0.009 . 2 . . 1620 . . 4 MET HB3 . 52406 1 30 . 1 . 1 4 4 MET HG2 H 1 1.950 0.007 . 2 . . 1621 . . 4 MET HG2 . 52406 1 31 . 1 . 1 4 4 MET HG3 H 1 1.986 0.01 . 2 . . 1622 . . 4 MET HG3 . 52406 1 32 . 1 . 1 4 4 MET N N 15 120.178 . . 1 . . 1617 . . 4 MET N . 52406 1 33 . 1 . 1 5 5 ARG H H 1 8.084 0.006 . 1 . . 1635 . . 5 ARG H . 52406 1 34 . 1 . 1 5 5 ARG HA H 1 4.214 0.012 . 1 . . 1639 . . 5 ARG HA . 52406 1 35 . 1 . 1 5 5 ARG HB2 H 1 1.738 0.012 . 2 . . 1862 . . 5 ARG HB2 . 52406 1 36 . 1 . 1 5 5 ARG HB3 H 1 1.611 0.01 . 2 . . 1863 . . 5 ARG HB3 . 52406 1 37 . 1 . 1 5 5 ARG HG2 H 1 1.655 0.003 . 2 . . 1864 . . 5 ARG HG2 . 52406 1 38 . 1 . 1 5 5 ARG HG3 H 1 1.538 0.016 . 2 . . 1865 . . 5 ARG HG3 . 52406 1 39 . 1 . 1 5 5 ARG N N 15 121.752 . . 1 . . 1636 . . 5 ARG N . 52406 1 40 . 1 . 1 6 6 ALA H H 1 8.194 0.001 . 1 . . 1547 . . 6 ALA H . 52406 1 41 . 1 . 1 6 6 ALA HA H 1 4.262 0.007 . 1 . . 1546 . . 6 ALA HA . 52406 1 42 . 1 . 1 6 6 ALA HB1 H 1 1.276 0.003 . 1 . . 1549 . . 6 ALA HB1 . 52406 1 43 . 1 . 1 6 6 ALA HB2 H 1 1.276 0.003 . 1 . . 1549 . . 6 ALA HB2 . 52406 1 44 . 1 . 1 6 6 ALA HB3 H 1 1.276 0.003 . 1 . . 1549 . . 6 ALA HB3 . 52406 1 45 . 1 . 1 6 6 ALA N N 15 125.543 . . 1 . . 1548 . . 6 ALA N . 52406 1 46 . 1 . 1 7 7 VAL H H 1 8.044 0.005 . 1 . . 1542 . . 7 VAL H . 52406 1 47 . 1 . 1 7 7 VAL HA H 1 4.021 0.015 . 1 . . 1541 . . 7 VAL HA . 52406 1 48 . 1 . 1 7 7 VAL HB H 1 1.996 0.015 . 1 . . 1544 . . 7 VAL HB . 52406 1 49 . 1 . 1 7 7 VAL HG11 H 1 0.859 0.004 . 1 . . 1543 . . 7 VAL HG11 . 52406 1 50 . 1 . 1 7 7 VAL HG12 H 1 0.859 0.004 . 1 . . 1543 . . 7 VAL HG12 . 52406 1 51 . 1 . 1 7 7 VAL HG13 H 1 0.859 0.004 . 1 . . 1543 . . 7 VAL HG13 . 52406 1 52 . 1 . 1 7 7 VAL N N 15 119.712 . . 1 . . 1545 . . 7 VAL N . 52406 1 53 . 1 . 1 8 8 GLY H H 1 8.355 0.011 . 1 . . 1530 . . 8 GLY H . 52406 1 54 . 1 . 1 8 8 GLY HA2 H 1 3.810 0.014 . 2 . . 1532 . . 8 GLY HA2 . 52406 1 55 . 1 . 1 8 8 GLY HA3 H 1 3.875 0.012 . 2 . . 1533 . . 8 GLY HA3 . 52406 1 56 . 1 . 1 8 8 GLY N N 15 112.343 . . 1 . . 1531 . . 8 GLY N . 52406 1 57 . 1 . 1 9 9 ARG H H 1 8.088 0.009 . 1 . . 1571 . . 9 ARG H . 52406 1 58 . 1 . 1 9 9 ARG HA H 1 4.551 0.006 . 1 . . 1575 . . 9 ARG HA . 52406 1 59 . 1 . 1 9 9 ARG HB2 H 1 1.733 0.005 . 1 . . 1574 . . 9 ARG HB2 . 52406 1 60 . 1 . 1 9 9 ARG HG2 H 1 1.600 0.003 . 2 . . 1577 . . 9 ARG HG2 . 52406 1 61 . 1 . 1 9 9 ARG HG3 H 1 1.557 0.01 . 2 . . 1578 . . 9 ARG HG3 . 52406 1 62 . 1 . 1 9 9 ARG HD2 H 1 3.108 0.006 . 1 . . 1573 . . 9 ARG HD2 . 52406 1 63 . 1 . 1 9 9 ARG HE H 1 7.088 0.009 . 1 . . 1572 . . 9 ARG HE . 52406 1 64 . 1 . 1 9 9 ARG N N 15 121.851 . . 1 . . 1576 . . 9 ARG N . 52406 1 65 . 1 . 1 10 10 PRO HA H 1 4.613 0.012 . 1 . . 1567 . . 10 PRO HA . 52406 1 66 . 1 . 1 10 10 PRO HB2 H 1 2.260 0.008 . 2 . . 1566 . . 10 PRO HB2 . 52406 1 67 . 1 . 1 10 10 PRO HB3 H 1 1.788 0.007 . 2 . . 1569 . . 10 PRO HB3 . 52406 1 68 . 1 . 1 10 10 PRO HG2 H 1 1.952 0.006 . 1 . . 1570 . . 10 PRO HG2 . 52406 1 69 . 1 . 1 10 10 PRO HD2 H 1 3.751 0.009 . 2 . . 1565 . . 10 PRO HD2 . 52406 1 70 . 1 . 1 10 10 PRO HD3 H 1 3.510 0.013 . 2 . . 1568 . . 10 PRO HD3 . 52406 1 71 . 1 . 1 11 11 PRO HA H 1 4.306 0.004 . 1 . . 1628 . . 11 PRO HA . 52406 1 72 . 1 . 1 11 11 PRO HB2 H 1 2.201 0.01 . 2 . . 1627 . . 11 PRO HB2 . 52406 1 73 . 1 . 1 11 11 PRO HB3 H 1 1.808 0.012 . 2 . . 1631 . . 11 PRO HB3 . 52406 1 74 . 1 . 1 11 11 PRO HG2 H 1 1.927 0.011 . 1 . . 1632 . . 11 PRO HG2 . 52406 1 75 . 1 . 1 11 11 PRO HD2 H 1 3.713 0.009 . 2 . . 1629 . . 11 PRO HD2 . 52406 1 76 . 1 . 1 11 11 PRO HD3 H 1 3.537 0.006 . 2 . . 1630 . . 11 PRO HD3 . 52406 1 77 . 1 . 1 12 12 ALA H H 1 8.284 0.005 . 1 . . 1603 . . 12 ALA H . 52406 1 78 . 1 . 1 12 12 ALA HA H 1 4.165 0.006 . 1 . . 1602 . . 12 ALA HA . 52406 1 79 . 1 . 1 12 12 ALA HB1 H 1 1.272 0.005 . 1 . . 1605 . . 12 ALA HB1 . 52406 1 80 . 1 . 1 12 12 ALA HB2 H 1 1.272 0.005 . 1 . . 1605 . . 12 ALA HB2 . 52406 1 81 . 1 . 1 12 12 ALA HB3 H 1 1.272 0.005 . 1 . . 1605 . . 12 ALA HB3 . 52406 1 82 . 1 . 1 12 12 ALA N N 15 124.359 . . 1 . . 1633 . . 12 ALA N . 52406 1 83 . 1 . 1 13 13 LYS H H 1 8.221 0.008 . 1 . . 1555 . . 13 LYS H . 52406 1 84 . 1 . 1 13 13 LYS HA H 1 4.184 0.004 . 1 . . 1559 . . 13 LYS HA . 52406 1 85 . 1 . 1 13 13 LYS HB2 H 1 1.701 0.009 . 2 . . 1560 . . 13 LYS HB2 . 52406 1 86 . 1 . 1 13 13 LYS HB3 H 1 1.631 0.009 . 2 . . 1561 . . 13 LYS HB3 . 52406 1 87 . 1 . 1 13 13 LYS HG2 H 1 1.350 0.005 . 2 . . 1563 . . 13 LYS HG2 . 52406 1 88 . 1 . 1 13 13 LYS HG3 H 1 1.298 0.008 . 2 . . 1564 . . 13 LYS HG3 . 52406 1 89 . 1 . 1 13 13 LYS HD2 H 1 1.573 0.007 . 1 . . 1562 . . 13 LYS HD2 . 52406 1 90 . 1 . 1 13 13 LYS HE2 H 1 2.888 0.003 . 1 . . 1557 . . 13 LYS HE2 . 52406 1 91 . 1 . 1 13 13 LYS HZ1 H 1 7.434 0.005 . 1 . . 1558 . . 13 LYS HZ1 . 52406 1 92 . 1 . 1 13 13 LYS HZ2 H 1 7.434 0.005 . 1 . . 1558 . . 13 LYS HZ2 . 52406 1 93 . 1 . 1 13 13 LYS HZ3 H 1 7.434 0.005 . 1 . . 1558 . . 13 LYS HZ3 . 52406 1 94 . 1 . 1 13 13 LYS N N 15 121.008 . . 1 . . 1556 . . 13 LYS N . 52406 1 95 . 1 . 1 14 14 ARG H H 1 8.284 0.006 . 1 . . 1579 . . 14 ARG H . 52406 1 96 . 1 . 1 14 14 ARG HA H 1 4.216 0.005 . 1 . . 1585 . . 14 ARG HA . 52406 1 97 . 1 . 1 14 14 ARG HB2 H 1 1.658 0.008 . 2 . . 1586 . . 14 ARG HB2 . 52406 1 98 . 1 . 1 14 14 ARG HB3 H 1 1.618 0.007 . 2 . . 1587 . . 14 ARG HB3 . 52406 1 99 . 1 . 1 14 14 ARG HG2 H 1 1.454 0.011 . 2 . . 1583 . . 14 ARG HG2 . 52406 1 100 . 1 . 1 14 14 ARG HG3 H 1 1.497 0.011 . 2 . . 1584 . . 14 ARG HG3 . 52406 1 101 . 1 . 1 14 14 ARG HD2 H 1 3.061 0.015 . 1 . . 1581 . . 14 ARG HD2 . 52406 1 102 . 1 . 1 14 14 ARG HE H 1 7.023 0.005 . 1 . . 1582 . . 14 ARG HE . 52406 1 103 . 1 . 1 14 14 ARG N N 15 122.885 . . 1 . . 1580 . . 14 ARG N . 52406 1 104 . 1 . 1 15 15 SER H H 1 8.231 0.005 . 1 . . 1611 . . 15 SER H . 52406 1 105 . 1 . 1 15 15 SER HA H 1 4.311 0.008 . 1 . . 1613 . . 15 SER HA . 52406 1 106 . 1 . 1 15 15 SER HB2 H 1 3.643 0.007 . 2 . . 1614 . . 15 SER HB2 . 52406 1 107 . 1 . 1 15 15 SER HB3 H 1 3.671 0.006 . 2 . . 1615 . . 15 SER HB3 . 52406 1 108 . 1 . 1 15 15 SER N N 15 117.368 . . 1 . . 1612 . . 15 SER N . 52406 1 109 . 1 . 1 16 16 PHE H H 1 8.167 0.003 . 1 . . 1594 . . 16 PHE H . 52406 1 110 . 1 . 1 16 16 PHE HA H 1 4.463 0.017 . 1 . . 1596 . . 16 PHE HA . 52406 1 111 . 1 . 1 16 16 PHE HB2 H 1 2.851 0.009 . 2 . . 1599 . . 16 PHE HB2 . 52406 1 112 . 1 . 1 16 16 PHE HB3 H 1 2.918 0.012 . 2 . . 1600 . . 16 PHE HB3 . 52406 1 113 . 1 . 1 16 16 PHE HD1 H 1 7.059 0.007 . 1 . . 1598 . . 16 PHE HD1 . 52406 1 114 . 1 . 1 16 16 PHE HD2 H 1 7.059 0.007 . 1 . . 1598 . . 16 PHE HD2 . 52406 1 115 . 1 . 1 16 16 PHE HE1 H 1 7.218 0.002 . 1 . . 1861 . . 16 PHE HE1 . 52406 1 116 . 1 . 1 16 16 PHE HE2 H 1 7.218 0.002 . 1 . . 1861 . . 16 PHE HE2 . 52406 1 117 . 1 . 1 16 16 PHE HZ H 1 7.200 0.01 . 1 . . 1597 . . 16 PHE HZ . 52406 1 118 . 1 . 1 16 16 PHE N N 15 122.126 . . 1 . . 1595 . . 16 PHE N . 52406 1 119 . 1 . 1 17 17 PHE H H 1 8.032 0.004 . 1 . . 1550 . . 17 PHE H . 52406 1 120 . 1 . 1 17 17 PHE HA H 1 4.494 0.006 . 1 . . 1553 . . 17 PHE HA . 52406 1 121 . 1 . 1 17 17 PHE HB2 H 1 2.994 0.006 . 2 . . 1551 . . 17 PHE HB2 . 52406 1 122 . 1 . 1 17 17 PHE HB3 H 1 2.882 0.008 . 2 . . 1552 . . 17 PHE HB3 . 52406 1 123 . 1 . 1 17 17 PHE HD1 H 1 7.135 0.006 . 1 . . 1601 . . 17 PHE HD1 . 52406 1 124 . 1 . 1 17 17 PHE HD2 H 1 7.135 0.006 . 1 . . 1601 . . 17 PHE HD2 . 52406 1 125 . 1 . 1 17 17 PHE HE1 H 1 7.257 0.003 . 1 . . 1860 . . 17 PHE HE1 . 52406 1 126 . 1 . 1 17 17 PHE HE2 H 1 7.257 0.003 . 1 . . 1860 . . 17 PHE HE2 . 52406 1 127 . 1 . 1 17 17 PHE HZ H 1 7.221 0.0 . 1 . . 1859 . . 17 PHE HZ . 52406 1 128 . 1 . 1 17 17 PHE N N 15 121.437 . . 1 . . 1554 . . 17 PHE N . 52406 1 129 . 1 . 1 18 18 SER H H 1 8.013 0.002 . 1 . . 1607 . . 18 SER H . 52406 1 130 . 1 . 1 18 18 SER HA H 1 4.288 0.007 . 1 . . 1610 . . 18 SER HA . 52406 1 131 . 1 . 1 18 18 SER HB2 H 1 3.715 0.004 . 2 . . 1606 . . 18 SER HB2 . 52406 1 132 . 1 . 1 18 18 SER HB3 H 1 3.693 0.005 . 2 . . 1608 . . 18 SER HB3 . 52406 1 133 . 1 . 1 18 18 SER N N 15 117.494 . . 1 . . 1609 . . 18 SER N . 52406 1 134 . 1 . 1 19 19 LEU H H 1 8.254 0.013 . 1 . . 1589 . . 19 LEU H . 52406 1 135 . 1 . 1 19 19 LEU HA H 1 4.260 0.006 . 1 . . 1592 . . 19 LEU HA . 52406 1 136 . 1 . 1 19 19 LEU HB2 H 1 1.562 0.009 . 1 . . 1593 . . 19 LEU HB2 . 52406 1 137 . 1 . 1 19 19 LEU HD11 H 1 0.859 0.01 . 2 . . 1590 . . 19 LEU HD11 . 52406 1 138 . 1 . 1 19 19 LEU HD12 H 1 0.859 0.01 . 2 . . 1590 . . 19 LEU HD12 . 52406 1 139 . 1 . 1 19 19 LEU HD13 H 1 0.859 0.01 . 2 . . 1590 . . 19 LEU HD13 . 52406 1 140 . 1 . 1 19 19 LEU HD21 H 1 0.814 0.009 . 2 . . 1591 . . 19 LEU HD21 . 52406 1 141 . 1 . 1 19 19 LEU HD22 H 1 0.814 0.009 . 2 . . 1591 . . 19 LEU HD22 . 52406 1 142 . 1 . 1 19 19 LEU HD23 H 1 0.814 0.009 . 2 . . 1591 . . 19 LEU HD23 . 52406 1 143 . 1 . 1 19 19 LEU N N 15 124.704 . . 1 . . 1588 . . 19 LEU N . 52406 1 144 . 1 . 1 20 20 SER H H 1 8.095 0.003 . 1 . . 1623 . . 20 SER H . 52406 1 145 . 1 . 1 20 20 SER HA H 1 4.307 0.0 . 1 . . 1640 . . 20 SER HA . 52406 1 146 . 1 . 1 20 20 SER HB2 H 1 3.767 0.0 . 2 . . 1625 . . 20 SER HB2 . 52406 1 147 . 1 . 1 20 20 SER HB3 H 1 3.752 0.004 . 2 . . 1626 . . 20 SER HB3 . 52406 1 148 . 1 . 1 20 20 SER N N 15 116.382 . . 1 . . 1624 . . 20 SER N . 52406 1 stop_ save_