################################### # 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_ ################################### # 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-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_