data_17689 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17689 _Entry.PDB_ID 2LE2 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 17689 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 VAL N N 2 122.900 122.900 120.421 2.479 17689 2 1 1 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.146 0.017 17689 3 1 1 . 1 1 2 2 VAL H H 2 8.565 8.565 8.173 0.392 17689 4 1 1 . 1 1 3 3 GLN N N 3 123.880 123.880 121.429 2.451 17689 5 1 1 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.116 0.204 17689 6 1 1 . 1 1 3 3 GLN H H 3 8.473 8.473 8.758 -0.285 17689 7 1 1 . 1 1 4 4 ASN N N 4 119.910 119.910 123.713 -3.803 17689 8 1 1 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.635 0.015 17689 9 1 1 . 1 1 4 4 ASN H H 4 8.381 8.381 8.814 -0.433 17689 10 1 1 . 1 1 5 5 ASP N N 5 119.700 119.700 118.202 1.498 17689 11 1 1 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.737 -0.169 17689 12 1 1 . 1 1 5 5 ASP H H 5 8.238 8.238 8.352 -0.114 17689 13 1 1 . 1 1 6 6 PHE N N 6 119.540 119.540 117.744 1.796 17689 14 1 1 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.094 0.569 17689 15 1 1 . 1 1 6 6 PHE H H 6 8.025 8.025 8.314 -0.289 17689 16 1 1 . 1 1 7 7 VAL N N 7 120.550 120.550 121.495 -0.945 17689 17 1 1 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.889 0.269 17689 18 1 1 . 1 1 7 7 VAL H H 7 7.985 7.985 7.760 0.225 17689 19 1 1 . 1 1 8 8 ASP N N 8 123.470 123.470 127.914 -4.444 17689 20 1 1 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.840 -0.217 17689 21 1 1 . 1 1 8 8 ASP H H 8 8.205 8.205 8.405 -0.200 17689 22 1 1 . 1 1 9 9 SER N N 9 116.500 116.500 115.074 1.426 17689 23 1 1 . 1 1 9 9 SER HA H 9 4.785 4.785 4.742 0.043 17689 24 1 1 . 1 1 9 9 SER H H 9 8.337 8.337 8.025 0.312 17689 25 1 1 . 1 1 10 10 TYR N N 10 120.450 120.450 121.180 -0.730 17689 26 1 1 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.428 0.625 17689 27 1 1 . 1 1 10 10 TYR H H 10 9.584 9.584 8.497 1.087 17689 28 1 1 . 1 1 11 11 ASP N N 11 121.160 121.160 123.864 -2.704 17689 29 1 1 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.918 0.615 17689 30 1 1 . 1 1 11 11 ASP H H 11 8.970 8.970 8.961 0.009 17689 31 1 1 . 1 1 12 12 VAL N N 12 123.530 123.530 127.600 -4.070 17689 32 1 1 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.905 0.388 17689 33 1 1 . 1 1 12 12 VAL H H 12 9.182 9.182 8.953 0.229 17689 34 1 1 . 1 1 13 13 THR N N 13 124.760 124.760 124.532 0.228 17689 35 1 1 . 1 1 13 13 THR HA H 13 5.139 5.139 4.920 0.219 17689 36 1 1 . 1 1 13 13 THR H H 13 9.172 9.172 8.935 0.237 17689 37 1 1 . 1 1 14 14 MET N N 14 124.600 124.600 125.261 -0.661 17689 38 1 1 . 1 1 14 14 MET HA H 14 5.216 5.216 5.152 0.064 17689 39 1 1 . 1 1 14 14 MET H H 14 9.172 9.172 9.220 -0.048 17689 40 1 1 . 1 1 15 15 LEU N N 15 125.470 125.470 120.294 5.176 17689 41 1 1 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.029 -0.588 17689 42 1 1 . 1 1 15 15 LEU H H 15 8.934 8.934 8.955 -0.021 17689 43 1 1 . 1 1 16 16 LEU N N 16 129.120 129.120 122.335 6.785 17689 44 1 1 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.940 0.245 17689 45 1 1 . 1 1 16 16 LEU H H 16 8.674 8.674 8.583 0.091 17689 46 1 1 . 1 1 17 17 GLN N N 17 118.200 118.200 119.621 -1.421 17689 47 1 1 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.658 0.654 17689 48 1 1 . 1 1 17 17 GLN H H 17 8.638 8.638 8.436 0.202 17689 49 1 1 . 1 1 18 18 ASP N N 18 126.700 126.700 127.533 -0.833 17689 50 1 1 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.745 0.063 17689 51 1 1 . 1 1 18 18 ASP H H 18 8.877 8.877 8.877 0.000 17689 52 1 1 . 1 1 19 19 ASP N N 19 117.840 117.840 122.564 -4.724 17689 53 1 1 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.456 -0.002 17689 54 1 1 . 1 1 19 19 ASP H H 19 8.775 8.775 8.679 0.096 17689 55 1 1 . 1 1 20 20 ASP N N 20 118.400 118.400 118.255 0.145 17689 56 1 1 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.557 0.284 17689 57 1 1 . 1 1 20 20 ASP H H 20 8.261 8.261 8.464 -0.203 17689 58 1 1 . 1 1 21 21 GLY N N 21 108.270 108.270 105.519 2.751 17689 59 1 1 . 1 1 21 21 GLY H H 21 8.188 8.188 8.038 0.150 17689 60 1 1 . 1 1 22 22 LYS N N 22 123.480 123.480 119.104 4.376 17689 61 1 1 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.614 -0.309 17689 62 1 1 . 1 1 22 22 LYS H H 22 8.433 8.433 7.746 0.687 17689 63 1 1 . 1 1 23 23 GLN N N 23 122.260 122.260 120.379 1.881 17689 64 1 1 . 1 1 23 23 GLN HA H 23 5.710 5.710 5.054 0.656 17689 65 1 1 . 1 1 23 23 GLN H H 23 8.426 8.426 8.497 -0.071 17689 66 1 1 . 1 1 24 24 TYR N N 24 120.420 120.420 118.981 1.439 17689 67 1 1 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.855 0.049 17689 68 1 1 . 1 1 24 24 TYR H H 24 8.927 8.927 8.785 0.142 17689 69 1 1 . 1 1 25 25 TYR N N 25 118.880 118.880 120.821 -1.941 17689 70 1 1 . 1 1 25 25 TYR HA H 25 5.384 5.384 5.004 0.380 17689 71 1 1 . 1 1 25 25 TYR H H 25 8.654 8.654 8.688 -0.034 17689 72 1 1 . 1 1 26 26 GLU N N 26 120.270 120.270 122.203 -1.933 17689 73 1 1 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.763 -0.143 17689 74 1 1 . 1 1 26 26 GLU H H 26 9.067 9.067 8.962 0.105 17689 75 1 1 . 1 1 27 27 TYR N N 27 123.610 123.610 122.282 1.328 17689 76 1 1 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.713 0.706 17689 77 1 1 . 1 1 27 27 TYR H H 27 8.654 8.654 8.479 0.175 17689 78 1 1 . 1 1 28 28 HIS N N 28 120.690 120.690 124.905 -4.215 17689 79 1 1 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.864 -0.006 17689 80 1 1 . 1 1 28 28 HIS H H 28 9.114 9.114 9.440 -0.326 17689 81 1 1 . 1 1 29 29 LYS N N 29 124.700 124.700 122.477 2.223 17689 82 1 1 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.211 0.750 17689 83 1 1 . 1 1 29 29 LYS H H 29 8.871 8.871 8.535 0.336 17689 84 1 1 . 1 1 30 30 GLY N N 30 112.960 112.960 108.316 4.644 17689 85 1 1 . 1 1 30 30 GLY H H 30 8.739 8.739 8.515 0.224 17689 86 1 1 . 1 1 31 31 LEU N N 31 122.260 122.260 118.894 3.366 17689 87 1 1 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.678 0.104 17689 88 1 1 . 1 1 31 31 LEU H H 31 9.349 9.349 8.220 1.129 17689 89 1 1 . 1 1 32 32 SER N N 32 117.760 117.760 113.636 4.124 17689 90 1 1 . 1 1 32 32 SER HA H 32 5.053 5.053 4.744 0.309 17689 91 1 1 . 1 1 32 32 SER H H 32 8.993 8.993 8.377 0.616 17689 92 1 1 . 1 1 33 33 LEU N N 33 122.480 122.480 121.634 0.846 17689 93 1 1 . 1 1 33 33 LEU HA H 33 4.101 4.101 3.917 0.184 17689 94 1 1 . 1 1 33 33 LEU H H 33 9.582 9.582 8.473 1.109 17689 95 1 1 . 1 1 34 34 SER N N 34 113.790 113.790 114.491 -0.701 17689 96 1 1 . 1 1 34 34 SER HA H 34 4.210 4.210 4.235 -0.025 17689 97 1 1 . 1 1 34 34 SER H H 34 8.324 8.324 7.857 0.467 17689 98 1 1 . 1 1 35 35 ASP N N 35 121.960 121.960 122.660 -0.700 17689 99 1 1 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.480 -0.037 17689 100 1 1 . 1 1 35 35 ASP H H 35 7.938 7.938 7.446 0.492 17689 101 1 1 . 1 1 36 36 PHE N N 36 122.350 122.350 122.455 -0.105 17689 102 1 1 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.015 0.085 17689 103 1 1 . 1 1 36 36 PHE H H 36 8.649 8.649 8.778 -0.129 17689 104 1 1 . 1 1 37 37 GLU N N 37 120.010 120.010 119.193 0.817 17689 105 1 1 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.787 -0.499 17689 106 1 1 . 1 1 37 37 GLU H H 37 8.169 8.169 7.936 0.233 17689 107 1 1 . 1 1 38 38 VAL N N 38 119.850 119.850 119.798 0.052 17689 108 1 1 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.650 -0.088 17689 109 1 1 . 1 1 38 38 VAL H H 38 7.404 7.404 7.392 0.012 17689 110 1 1 . 1 1 39 39 LEU N N 39 121.490 121.490 122.017 -0.527 17689 111 1 1 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.897 0.061 17689 112 1 1 . 1 1 39 39 LEU H H 39 7.593 7.593 8.254 -0.661 17689 113 1 1 . 1 1 40 40 TYR N N 40 120.440 120.440 119.598 0.842 17689 114 1 1 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.147 -0.500 17689 115 1 1 . 1 1 40 40 TYR H H 40 8.743 8.743 8.593 0.150 17689 116 1 1 . 1 1 41 41 GLY N N 41 105.790 105.790 105.702 0.088 17689 117 1 1 . 1 1 41 41 GLY H H 41 7.678 7.678 7.907 -0.229 17689 118 1 1 . 1 1 42 42 ASN N N 42 116.630 116.630 117.087 -0.457 17689 119 1 1 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.817 -0.027 17689 120 1 1 . 1 1 42 42 ASN H H 42 7.370 7.370 8.154 -0.784 17689 121 1 1 . 1 1 43 43 THR N N 43 117.900 117.900 115.397 2.503 17689 122 1 1 . 1 1 43 43 THR HA H 43 4.052 4.052 4.165 -0.113 17689 123 1 1 . 1 1 43 43 THR H H 43 7.271 7.271 7.913 -0.642 17689 124 1 1 . 1 1 44 44 ALA HA H 44 4.303 4.303 3.877 0.426 17689 125 1 1 . 1 1 44 44 ALA H H 44 8.500 8.500 8.357 0.143 17689 126 1 1 . 1 1 45 45 ASP N N 45 117.770 117.770 119.298 -1.528 17689 127 1 1 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.692 0.185 17689 128 1 1 . 1 1 45 45 ASP H H 45 7.403 7.403 7.949 -0.546 17689 129 1 1 . 1 1 46 46 GLU N N 46 118.810 118.810 121.193 -2.383 17689 130 1 1 . 1 1 46 46 GLU HA H 46 4.068 4.068 4.292 -0.224 17689 131 1 1 . 1 1 46 46 GLU H H 46 7.704 7.704 8.702 -0.998 17689 132 1 1 . 1 1 47 47 ILE HA H 47 3.890 3.890 4.019 -0.129 17689 133 1 1 . 1 1 47 47 ILE H H 47 8.530 8.530 8.186 0.344 17689 134 1 1 . 1 1 48 48 ILE N N 48 129.130 129.130 127.988 1.142 17689 135 1 1 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.249 0.073 17689 136 1 1 . 1 1 48 48 ILE H H 48 9.177 9.177 9.073 0.104 17689 137 1 1 . 1 1 49 49 LYS N N 49 115.080 115.080 118.531 -3.451 17689 138 1 1 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.691 0.623 17689 139 1 1 . 1 1 49 49 LYS H H 49 7.964 7.964 7.830 0.134 17689 140 1 1 . 1 1 50 50 LEU N N 50 122.010 122.010 116.586 5.424 17689 141 1 1 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.530 -0.317 17689 142 1 1 . 1 1 50 50 LEU H H 50 9.012 9.012 8.349 0.663 17689 143 1 1 . 1 1 51 51 ARG N N 51 127.740 127.740 119.277 8.463 17689 144 1 1 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.727 0.484 17689 145 1 1 . 1 1 51 51 ARG H H 51 9.503 9.503 8.757 0.746 17689 146 1 1 . 1 1 52 52 LEU N N 52 124.920 124.920 123.014 1.906 17689 147 1 1 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.397 -0.224 17689 148 1 1 . 1 1 52 52 LEU H H 52 8.658 8.658 8.374 0.284 17689 149 1 1 . 1 1 53 53 ASP N N 53 124.020 124.020 124.396 -0.376 17689 150 1 1 . 1 1 53 53 ASP HA H 53 5.448 5.448 5.037 0.411 17689 151 1 1 . 1 1 53 53 ASP H H 53 8.773 8.773 9.277 -0.504 17689 152 1 1 . 1 1 54 54 LYS N N 54 126.280 126.280 124.870 1.410 17689 153 1 1 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.725 0.068 17689 154 1 1 . 1 1 54 54 LYS H H 54 8.762 8.762 8.334 0.428 17689 155 1 1 . 1 1 55 55 VAL N N 55 128.630 128.630 121.510 7.120 17689 156 1 1 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.014 -0.114 17689 157 1 1 . 1 1 55 55 VAL H H 55 8.630 8.630 7.941 0.689 17689 158 1 2 . 1 1 2 2 VAL N N 2 122.900 122.900 125.323 -2.423 17689 159 1 2 . 1 1 2 2 VAL HA H 2 4.163 4.163 3.913 0.250 17689 160 1 2 . 1 1 2 2 VAL H H 2 8.565 8.565 8.425 0.140 17689 161 1 2 . 1 1 3 3 GLN N N 3 123.880 123.880 125.288 -1.408 17689 162 1 2 . 1 1 3 3 GLN HA H 3 4.320 4.320 3.968 0.352 17689 163 1 2 . 1 1 3 3 GLN H H 3 8.473 8.473 8.823 -0.350 17689 164 1 2 . 1 1 4 4 ASN N N 4 119.910 119.910 118.262 1.648 17689 165 1 2 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.542 0.108 17689 166 1 2 . 1 1 4 4 ASN H H 4 8.381 8.381 7.926 0.455 17689 167 1 2 . 1 1 5 5 ASP N N 5 119.700 119.700 117.254 2.446 17689 168 1 2 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.693 -0.125 17689 169 1 2 . 1 1 5 5 ASP H H 5 8.238 8.238 7.827 0.411 17689 170 1 2 . 1 1 6 6 PHE N N 6 119.540 119.540 119.527 0.013 17689 171 1 2 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.167 0.496 17689 172 1 2 . 1 1 6 6 PHE H H 6 8.025 8.025 8.871 -0.846 17689 173 1 2 . 1 1 7 7 VAL N N 7 120.550 120.550 119.070 1.480 17689 174 1 2 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.985 0.173 17689 175 1 2 . 1 1 7 7 VAL H H 7 7.985 7.985 7.836 0.149 17689 176 1 2 . 1 1 8 8 ASP N N 8 123.470 123.470 123.285 0.185 17689 177 1 2 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.260 0.363 17689 178 1 2 . 1 1 8 8 ASP H H 8 8.205 8.205 8.522 -0.317 17689 179 1 2 . 1 1 9 9 SER N N 9 116.500 116.500 111.164 5.336 17689 180 1 2 . 1 1 9 9 SER HA H 9 4.785 4.785 4.115 0.670 17689 181 1 2 . 1 1 9 9 SER H H 9 8.337 8.337 8.383 -0.046 17689 182 1 2 . 1 1 10 10 TYR N N 10 120.450 120.450 119.899 0.551 17689 183 1 2 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.848 0.205 17689 184 1 2 . 1 1 10 10 TYR H H 10 9.584 9.584 8.048 1.536 17689 185 1 2 . 1 1 11 11 ASP N N 11 121.160 121.160 122.078 -0.918 17689 186 1 2 . 1 1 11 11 ASP HA H 11 5.533 5.533 5.179 0.354 17689 187 1 2 . 1 1 11 11 ASP H H 11 8.970 8.970 9.208 -0.238 17689 188 1 2 . 1 1 12 12 VAL N N 12 123.530 123.530 125.598 -2.068 17689 189 1 2 . 1 1 12 12 VAL HA H 12 5.293 5.293 5.060 0.233 17689 190 1 2 . 1 1 12 12 VAL H H 12 9.182 9.182 9.142 0.040 17689 191 1 2 . 1 1 13 13 THR N N 13 124.760 124.760 123.669 1.091 17689 192 1 2 . 1 1 13 13 THR HA H 13 5.139 5.139 4.783 0.356 17689 193 1 2 . 1 1 13 13 THR H H 13 9.172 9.172 9.287 -0.115 17689 194 1 2 . 1 1 14 14 MET N N 14 124.600 124.600 127.027 -2.427 17689 195 1 2 . 1 1 14 14 MET HA H 14 5.216 5.216 5.466 -0.250 17689 196 1 2 . 1 1 14 14 MET H H 14 9.172 9.172 8.771 0.401 17689 197 1 2 . 1 1 15 15 LEU N N 15 125.470 125.470 119.611 5.859 17689 198 1 2 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.219 -0.778 17689 199 1 2 . 1 1 15 15 LEU H H 15 8.934 8.934 9.000 -0.066 17689 200 1 2 . 1 1 16 16 LEU N N 16 129.120 129.120 118.449 10.671 17689 201 1 2 . 1 1 16 16 LEU HA H 16 5.185 5.185 5.106 0.079 17689 202 1 2 . 1 1 16 16 LEU H H 16 8.674 8.674 8.834 -0.160 17689 203 1 2 . 1 1 17 17 GLN N N 17 118.200 118.200 119.212 -1.012 17689 204 1 2 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.826 0.486 17689 205 1 2 . 1 1 17 17 GLN H H 17 8.638 8.638 8.174 0.464 17689 206 1 2 . 1 1 18 18 ASP N N 18 126.700 126.700 126.007 0.693 17689 207 1 2 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.959 -0.151 17689 208 1 2 . 1 1 18 18 ASP H H 18 8.877 8.877 9.090 -0.213 17689 209 1 2 . 1 1 19 19 ASP N N 19 117.840 117.840 122.704 -4.864 17689 210 1 2 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.411 0.043 17689 211 1 2 . 1 1 19 19 ASP H H 19 8.775 8.775 8.521 0.254 17689 212 1 2 . 1 1 20 20 ASP N N 20 118.400 118.400 117.259 1.141 17689 213 1 2 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.643 0.198 17689 214 1 2 . 1 1 20 20 ASP H H 20 8.261 8.261 8.607 -0.346 17689 215 1 2 . 1 1 21 21 GLY N N 21 108.270 108.270 106.601 1.669 17689 216 1 2 . 1 1 21 21 GLY H H 21 8.188 8.188 7.581 0.607 17689 217 1 2 . 1 1 22 22 LYS N N 22 123.480 123.480 120.190 3.290 17689 218 1 2 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.425 -0.120 17689 219 1 2 . 1 1 22 22 LYS H H 22 8.433 8.433 7.866 0.567 17689 220 1 2 . 1 1 23 23 GLN N N 23 122.260 122.260 119.601 2.659 17689 221 1 2 . 1 1 23 23 GLN HA H 23 5.710 5.710 5.191 0.519 17689 222 1 2 . 1 1 23 23 GLN H H 23 8.426 8.426 8.539 -0.113 17689 223 1 2 . 1 1 24 24 TYR N N 24 120.420 120.420 118.664 1.756 17689 224 1 2 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.931 -0.027 17689 225 1 2 . 1 1 24 24 TYR H H 24 8.927 8.927 8.652 0.275 17689 226 1 2 . 1 1 25 25 TYR N N 25 118.880 118.880 122.966 -4.086 17689 227 1 2 . 1 1 25 25 TYR HA H 25 5.384 5.384 5.133 0.251 17689 228 1 2 . 1 1 25 25 TYR H H 25 8.654 8.654 8.756 -0.102 17689 229 1 2 . 1 1 26 26 GLU N N 26 120.270 120.270 128.137 -7.867 17689 230 1 2 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.686 -0.066 17689 231 1 2 . 1 1 26 26 GLU H H 26 9.067 9.067 8.883 0.184 17689 232 1 2 . 1 1 27 27 TYR N N 27 123.610 123.610 124.881 -1.271 17689 233 1 2 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.822 0.597 17689 234 1 2 . 1 1 27 27 TYR H H 27 8.654 8.654 8.377 0.277 17689 235 1 2 . 1 1 28 28 HIS N N 28 120.690 120.690 127.132 -6.442 17689 236 1 2 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.642 0.216 17689 237 1 2 . 1 1 28 28 HIS H H 28 9.114 9.114 8.815 0.299 17689 238 1 2 . 1 1 29 29 LYS N N 29 124.700 124.700 123.796 0.904 17689 239 1 2 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.363 0.598 17689 240 1 2 . 1 1 29 29 LYS H H 29 8.871 8.871 8.425 0.446 17689 241 1 2 . 1 1 30 30 GLY N N 30 112.960 112.960 110.877 2.083 17689 242 1 2 . 1 1 30 30 GLY H H 30 8.739 8.739 8.185 0.554 17689 243 1 2 . 1 1 31 31 LEU N N 31 122.260 122.260 114.738 7.522 17689 244 1 2 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.942 -0.160 17689 245 1 2 . 1 1 31 31 LEU H H 31 9.349 9.349 7.631 1.718 17689 246 1 2 . 1 1 32 32 SER N N 32 117.760 117.760 113.287 4.473 17689 247 1 2 . 1 1 32 32 SER HA H 32 5.053 5.053 4.722 0.331 17689 248 1 2 . 1 1 32 32 SER H H 32 8.993 8.993 8.279 0.714 17689 249 1 2 . 1 1 33 33 LEU N N 33 122.480 122.480 121.771 0.709 17689 250 1 2 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.108 -0.007 17689 251 1 2 . 1 1 33 33 LEU H H 33 9.582 9.582 8.436 1.146 17689 252 1 2 . 1 1 34 34 SER N N 34 113.790 113.790 114.689 -0.899 17689 253 1 2 . 1 1 34 34 SER HA H 34 4.210 4.210 4.153 0.057 17689 254 1 2 . 1 1 34 34 SER H H 34 8.324 8.324 8.271 0.053 17689 255 1 2 . 1 1 35 35 ASP N N 35 121.960 121.960 122.254 -0.294 17689 256 1 2 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.536 -0.093 17689 257 1 2 . 1 1 35 35 ASP H H 35 7.938 7.938 7.802 0.136 17689 258 1 2 . 1 1 36 36 PHE N N 36 122.350 122.350 121.919 0.431 17689 259 1 2 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.115 -0.015 17689 260 1 2 . 1 1 36 36 PHE H H 36 8.649 8.649 8.041 0.608 17689 261 1 2 . 1 1 37 37 GLU N N 37 120.010 120.010 118.802 1.208 17689 262 1 2 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.616 -0.328 17689 263 1 2 . 1 1 37 37 GLU H H 37 8.169 8.169 8.526 -0.357 17689 264 1 2 . 1 1 38 38 VAL N N 38 119.850 119.850 120.063 -0.213 17689 265 1 2 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.643 -0.081 17689 266 1 2 . 1 1 38 38 VAL H H 38 7.404 7.404 7.189 0.215 17689 267 1 2 . 1 1 39 39 LEU N N 39 121.490 121.490 121.847 -0.357 17689 268 1 2 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.869 0.089 17689 269 1 2 . 1 1 39 39 LEU H H 39 7.593 7.593 7.984 -0.391 17689 270 1 2 . 1 1 40 40 TYR N N 40 120.440 120.440 119.899 0.541 17689 271 1 2 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.117 -0.470 17689 272 1 2 . 1 1 40 40 TYR H H 40 8.743 8.743 8.717 0.026 17689 273 1 2 . 1 1 41 41 GLY N N 41 105.790 105.790 105.456 0.334 17689 274 1 2 . 1 1 41 41 GLY H H 41 7.678 7.678 8.287 -0.609 17689 275 1 2 . 1 1 42 42 ASN N N 42 116.630 116.630 117.723 -1.093 17689 276 1 2 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.789 0.001 17689 277 1 2 . 1 1 42 42 ASN H H 42 7.370 7.370 8.209 -0.839 17689 278 1 2 . 1 1 43 43 THR N N 43 117.900 117.900 112.113 5.787 17689 279 1 2 . 1 1 43 43 THR HA H 43 4.052 4.052 4.487 -0.435 17689 280 1 2 . 1 1 43 43 THR H H 43 7.271 7.271 7.729 -0.458 17689 281 1 2 . 1 1 44 44 ALA HA H 44 4.303 4.303 4.181 0.122 17689 282 1 2 . 1 1 44 44 ALA H H 44 8.500 8.500 7.719 0.781 17689 283 1 2 . 1 1 45 45 ASP N N 45 117.770 117.770 122.725 -4.955 17689 284 1 2 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.682 0.195 17689 285 1 2 . 1 1 45 45 ASP H H 45 7.403 7.403 8.127 -0.724 17689 286 1 2 . 1 1 46 46 GLU N N 46 118.810 118.810 122.186 -3.376 17689 287 1 2 . 1 1 46 46 GLU HA H 46 4.068 4.068 3.913 0.155 17689 288 1 2 . 1 1 46 46 GLU H H 46 7.704 7.704 8.804 -1.100 17689 289 1 2 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.823 0.067 17689 290 1 2 . 1 1 47 47 ILE H H 47 8.530 8.530 8.218 0.312 17689 291 1 2 . 1 1 48 48 ILE N N 48 129.130 129.130 127.645 1.485 17689 292 1 2 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.398 -0.076 17689 293 1 2 . 1 1 48 48 ILE H H 48 9.177 9.177 8.472 0.705 17689 294 1 2 . 1 1 49 49 LYS N N 49 115.080 115.080 118.828 -3.748 17689 295 1 2 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.657 0.657 17689 296 1 2 . 1 1 49 49 LYS H H 49 7.964 7.964 7.904 0.060 17689 297 1 2 . 1 1 50 50 LEU N N 50 122.010 122.010 122.489 -0.479 17689 298 1 2 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.130 0.083 17689 299 1 2 . 1 1 50 50 LEU H H 50 9.012 9.012 8.547 0.465 17689 300 1 2 . 1 1 51 51 ARG N N 51 127.740 127.740 128.055 -0.315 17689 301 1 2 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.779 0.432 17689 302 1 2 . 1 1 51 51 ARG H H 51 9.503 9.503 9.127 0.376 17689 303 1 2 . 1 1 52 52 LEU N N 52 124.920 124.920 127.179 -2.259 17689 304 1 2 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.350 -0.177 17689 305 1 2 . 1 1 52 52 LEU H H 52 8.658 8.658 8.557 0.101 17689 306 1 2 . 1 1 53 53 ASP N N 53 124.020 124.020 124.501 -0.481 17689 307 1 2 . 1 1 53 53 ASP HA H 53 5.448 5.448 4.959 0.489 17689 308 1 2 . 1 1 53 53 ASP H H 53 8.773 8.773 8.713 0.060 17689 309 1 2 . 1 1 54 54 LYS N N 54 126.280 126.280 123.941 2.339 17689 310 1 2 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.385 0.408 17689 311 1 2 . 1 1 54 54 LYS H H 54 8.762 8.762 8.514 0.248 17689 312 1 2 . 1 1 55 55 VAL N N 55 128.630 128.630 126.651 1.979 17689 313 1 2 . 1 1 55 55 VAL HA H 55 3.900 3.900 3.835 0.065 17689 314 1 2 . 1 1 55 55 VAL H H 55 8.630 8.630 8.216 0.414 17689 315 1 3 . 1 1 2 2 VAL N N 2 122.900 122.900 116.647 6.253 17689 316 1 3 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.555 -0.392 17689 317 1 3 . 1 1 2 2 VAL H H 2 8.565 8.565 8.030 0.535 17689 318 1 3 . 1 1 3 3 GLN N N 3 123.880 123.880 121.656 2.224 17689 319 1 3 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.291 0.029 17689 320 1 3 . 1 1 3 3 GLN H H 3 8.473 8.473 8.698 -0.225 17689 321 1 3 . 1 1 4 4 ASN N N 4 119.910 119.910 118.220 1.690 17689 322 1 3 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.503 0.147 17689 323 1 3 . 1 1 4 4 ASN H H 4 8.381 8.381 8.332 0.049 17689 324 1 3 . 1 1 5 5 ASP N N 5 119.700 119.700 118.176 1.524 17689 325 1 3 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.778 -0.210 17689 326 1 3 . 1 1 5 5 ASP H H 5 8.238 8.238 7.525 0.713 17689 327 1 3 . 1 1 6 6 PHE N N 6 119.540 119.540 122.605 -3.065 17689 328 1 3 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.551 0.112 17689 329 1 3 . 1 1 6 6 PHE H H 6 8.025 8.025 8.737 -0.712 17689 330 1 3 . 1 1 7 7 VAL N N 7 120.550 120.550 120.167 0.383 17689 331 1 3 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.913 0.245 17689 332 1 3 . 1 1 7 7 VAL H H 7 7.985 7.985 7.920 0.065 17689 333 1 3 . 1 1 8 8 ASP N N 8 123.470 123.470 123.274 0.196 17689 334 1 3 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.633 -0.010 17689 335 1 3 . 1 1 8 8 ASP H H 8 8.205 8.205 8.406 -0.201 17689 336 1 3 . 1 1 9 9 SER N N 9 116.500 116.500 111.686 4.814 17689 337 1 3 . 1 1 9 9 SER HA H 9 4.785 4.785 3.949 0.836 17689 338 1 3 . 1 1 9 9 SER H H 9 8.337 8.337 8.075 0.262 17689 339 1 3 . 1 1 10 10 TYR N N 10 120.450 120.450 120.208 0.242 17689 340 1 3 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.404 0.649 17689 341 1 3 . 1 1 10 10 TYR H H 10 9.584 9.584 8.203 1.381 17689 342 1 3 . 1 1 11 11 ASP N N 11 121.160 121.160 124.806 -3.646 17689 343 1 3 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.964 0.569 17689 344 1 3 . 1 1 11 11 ASP H H 11 8.970 8.970 8.851 0.119 17689 345 1 3 . 1 1 12 12 VAL N N 12 123.530 123.530 128.031 -4.501 17689 346 1 3 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.603 0.690 17689 347 1 3 . 1 1 12 12 VAL H H 12 9.182 9.182 9.289 -0.107 17689 348 1 3 . 1 1 13 13 THR N N 13 124.760 124.760 124.163 0.597 17689 349 1 3 . 1 1 13 13 THR HA H 13 5.139 5.139 4.709 0.430 17689 350 1 3 . 1 1 13 13 THR H H 13 9.172 9.172 9.197 -0.025 17689 351 1 3 . 1 1 14 14 MET N N 14 124.600 124.600 124.622 -0.022 17689 352 1 3 . 1 1 14 14 MET HA H 14 5.216 5.216 5.296 -0.080 17689 353 1 3 . 1 1 14 14 MET H H 14 9.172 9.172 7.835 1.337 17689 354 1 3 . 1 1 15 15 LEU N N 15 125.470 125.470 123.112 2.358 17689 355 1 3 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.246 -0.805 17689 356 1 3 . 1 1 15 15 LEU H H 15 8.934 8.934 9.095 -0.161 17689 357 1 3 . 1 1 16 16 LEU N N 16 129.120 129.120 122.498 6.622 17689 358 1 3 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.865 0.320 17689 359 1 3 . 1 1 16 16 LEU H H 16 8.674 8.674 8.841 -0.167 17689 360 1 3 . 1 1 17 17 GLN N N 17 118.200 118.200 119.078 -0.878 17689 361 1 3 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.770 0.542 17689 362 1 3 . 1 1 17 17 GLN H H 17 8.638 8.638 8.129 0.509 17689 363 1 3 . 1 1 18 18 ASP N N 18 126.700 126.700 126.183 0.517 17689 364 1 3 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.705 0.103 17689 365 1 3 . 1 1 18 18 ASP H H 18 8.877 8.877 9.145 -0.268 17689 366 1 3 . 1 1 19 19 ASP N N 19 117.840 117.840 124.107 -6.267 17689 367 1 3 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.421 0.033 17689 368 1 3 . 1 1 19 19 ASP H H 19 8.775 8.775 8.718 0.057 17689 369 1 3 . 1 1 20 20 ASP N N 20 118.400 118.400 118.064 0.336 17689 370 1 3 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.605 0.236 17689 371 1 3 . 1 1 20 20 ASP H H 20 8.261 8.261 8.451 -0.190 17689 372 1 3 . 1 1 21 21 GLY N N 21 108.270 108.270 106.496 1.774 17689 373 1 3 . 1 1 21 21 GLY H H 21 8.188 8.188 8.186 0.002 17689 374 1 3 . 1 1 22 22 LYS N N 22 123.480 123.480 118.002 5.478 17689 375 1 3 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.548 -0.243 17689 376 1 3 . 1 1 22 22 LYS H H 22 8.433 8.433 7.705 0.728 17689 377 1 3 . 1 1 23 23 GLN N N 23 122.260 122.260 120.611 1.649 17689 378 1 3 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.980 0.730 17689 379 1 3 . 1 1 23 23 GLN H H 23 8.426 8.426 8.593 -0.167 17689 380 1 3 . 1 1 24 24 TYR N N 24 120.420 120.420 119.419 1.001 17689 381 1 3 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.925 -0.021 17689 382 1 3 . 1 1 24 24 TYR H H 24 8.927 8.927 8.929 -0.002 17689 383 1 3 . 1 1 25 25 TYR N N 25 118.880 118.880 124.598 -5.718 17689 384 1 3 . 1 1 25 25 TYR HA H 25 5.384 5.384 5.267 0.117 17689 385 1 3 . 1 1 25 25 TYR H H 25 8.654 8.654 8.793 -0.139 17689 386 1 3 . 1 1 26 26 GLU N N 26 120.270 120.270 129.136 -8.866 17689 387 1 3 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.548 0.072 17689 388 1 3 . 1 1 26 26 GLU H H 26 9.067 9.067 8.630 0.437 17689 389 1 3 . 1 1 27 27 TYR N N 27 123.610 123.610 123.354 0.256 17689 390 1 3 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.524 0.895 17689 391 1 3 . 1 1 27 27 TYR H H 27 8.654 8.654 7.821 0.833 17689 392 1 3 . 1 1 28 28 HIS N N 28 120.690 120.690 125.973 -5.283 17689 393 1 3 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.786 0.072 17689 394 1 3 . 1 1 28 28 HIS H H 28 9.114 9.114 9.129 -0.015 17689 395 1 3 . 1 1 29 29 LYS N N 29 124.700 124.700 120.040 4.660 17689 396 1 3 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.472 0.489 17689 397 1 3 . 1 1 29 29 LYS H H 29 8.871 8.871 7.670 1.201 17689 398 1 3 . 1 1 30 30 GLY N N 30 112.960 112.960 111.306 1.654 17689 399 1 3 . 1 1 30 30 GLY H H 30 8.739 8.739 8.215 0.524 17689 400 1 3 . 1 1 31 31 LEU N N 31 122.260 122.260 119.355 2.905 17689 401 1 3 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.669 0.113 17689 402 1 3 . 1 1 31 31 LEU H H 31 9.349 9.349 8.017 1.332 17689 403 1 3 . 1 1 32 32 SER N N 32 117.760 117.760 112.727 5.033 17689 404 1 3 . 1 1 32 32 SER HA H 32 5.053 5.053 4.719 0.334 17689 405 1 3 . 1 1 32 32 SER H H 32 8.993 8.993 7.857 1.136 17689 406 1 3 . 1 1 33 33 LEU N N 33 122.480 122.480 122.406 0.074 17689 407 1 3 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.244 -0.143 17689 408 1 3 . 1 1 33 33 LEU H H 33 9.582 9.582 8.501 1.081 17689 409 1 3 . 1 1 34 34 SER N N 34 113.790 113.790 114.944 -1.154 17689 410 1 3 . 1 1 34 34 SER HA H 34 4.210 4.210 4.176 0.034 17689 411 1 3 . 1 1 34 34 SER H H 34 8.324 8.324 7.939 0.385 17689 412 1 3 . 1 1 35 35 ASP N N 35 121.960 121.960 122.712 -0.752 17689 413 1 3 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.525 -0.082 17689 414 1 3 . 1 1 35 35 ASP H H 35 7.938 7.938 7.625 0.313 17689 415 1 3 . 1 1 36 36 PHE N N 36 122.350 122.350 122.002 0.348 17689 416 1 3 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.127 -0.027 17689 417 1 3 . 1 1 36 36 PHE H H 36 8.649 8.649 8.657 -0.008 17689 418 1 3 . 1 1 37 37 GLU N N 37 120.010 120.010 119.447 0.563 17689 419 1 3 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.635 -0.347 17689 420 1 3 . 1 1 37 37 GLU H H 37 8.169 8.169 8.218 -0.049 17689 421 1 3 . 1 1 38 38 VAL N N 38 119.850 119.850 119.754 0.096 17689 422 1 3 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.642 -0.080 17689 423 1 3 . 1 1 38 38 VAL H H 38 7.404 7.404 7.599 -0.195 17689 424 1 3 . 1 1 39 39 LEU N N 39 121.490 121.490 120.776 0.714 17689 425 1 3 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.903 0.055 17689 426 1 3 . 1 1 39 39 LEU H H 39 7.593 7.593 8.156 -0.563 17689 427 1 3 . 1 1 40 40 TYR N N 40 120.440 120.440 119.968 0.472 17689 428 1 3 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.342 -0.695 17689 429 1 3 . 1 1 40 40 TYR H H 40 8.743 8.743 8.803 -0.060 17689 430 1 3 . 1 1 41 41 GLY N N 41 105.790 105.790 105.930 -0.140 17689 431 1 3 . 1 1 41 41 GLY H H 41 7.678 7.678 8.058 -0.380 17689 432 1 3 . 1 1 42 42 ASN N N 42 116.630 116.630 119.464 -2.834 17689 433 1 3 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.691 0.099 17689 434 1 3 . 1 1 42 42 ASN H H 42 7.370 7.370 8.382 -1.012 17689 435 1 3 . 1 1 43 43 THR N N 43 117.900 117.900 114.803 3.097 17689 436 1 3 . 1 1 43 43 THR HA H 43 4.052 4.052 4.212 -0.160 17689 437 1 3 . 1 1 43 43 THR H H 43 7.271 7.271 7.959 -0.688 17689 438 1 3 . 1 1 44 44 ALA HA H 44 4.303 4.303 3.743 0.560 17689 439 1 3 . 1 1 44 44 ALA H H 44 8.500 8.500 8.208 0.292 17689 440 1 3 . 1 1 45 45 ASP N N 45 117.770 117.770 119.938 -2.168 17689 441 1 3 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.634 0.243 17689 442 1 3 . 1 1 45 45 ASP H H 45 7.403 7.403 7.694 -0.291 17689 443 1 3 . 1 1 46 46 GLU N N 46 118.810 118.810 118.422 0.388 17689 444 1 3 . 1 1 46 46 GLU HA H 46 4.068 4.068 3.916 0.152 17689 445 1 3 . 1 1 46 46 GLU H H 46 7.704 7.704 8.219 -0.515 17689 446 1 3 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.819 0.071 17689 447 1 3 . 1 1 47 47 ILE H H 47 8.530 8.530 8.234 0.296 17689 448 1 3 . 1 1 48 48 ILE N N 48 129.130 129.130 129.244 -0.114 17689 449 1 3 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.319 0.003 17689 450 1 3 . 1 1 48 48 ILE H H 48 9.177 9.177 8.645 0.532 17689 451 1 3 . 1 1 49 49 LYS N N 49 115.080 115.080 118.876 -3.796 17689 452 1 3 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.724 0.590 17689 453 1 3 . 1 1 49 49 LYS H H 49 7.964 7.964 8.023 -0.059 17689 454 1 3 . 1 1 50 50 LEU N N 50 122.010 122.010 117.592 4.418 17689 455 1 3 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.285 -0.072 17689 456 1 3 . 1 1 50 50 LEU H H 50 9.012 9.012 8.449 0.563 17689 457 1 3 . 1 1 51 51 ARG N N 51 127.740 127.740 121.961 5.779 17689 458 1 3 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.689 0.522 17689 459 1 3 . 1 1 51 51 ARG H H 51 9.503 9.503 8.928 0.575 17689 460 1 3 . 1 1 52 52 LEU N N 52 124.920 124.920 126.654 -1.734 17689 461 1 3 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.452 -0.279 17689 462 1 3 . 1 1 52 52 LEU H H 52 8.658 8.658 8.528 0.130 17689 463 1 3 . 1 1 53 53 ASP N N 53 124.020 124.020 125.721 -1.701 17689 464 1 3 . 1 1 53 53 ASP HA H 53 5.448 5.448 5.029 0.419 17689 465 1 3 . 1 1 53 53 ASP H H 53 8.773 8.773 8.988 -0.215 17689 466 1 3 . 1 1 54 54 LYS N N 54 126.280 126.280 122.962 3.318 17689 467 1 3 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.367 0.426 17689 468 1 3 . 1 1 54 54 LYS H H 54 8.762 8.762 8.322 0.440 17689 469 1 3 . 1 1 55 55 VAL N N 55 128.630 128.630 120.817 7.813 17689 470 1 3 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.073 -0.173 17689 471 1 3 . 1 1 55 55 VAL H H 55 8.630 8.630 7.688 0.942 17689 472 1 4 . 1 1 2 2 VAL N N 2 122.900 122.900 118.957 3.943 17689 473 1 4 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.551 -0.388 17689 474 1 4 . 1 1 2 2 VAL H H 2 8.565 8.565 7.723 0.842 17689 475 1 4 . 1 1 3 3 GLN N N 3 123.880 123.880 120.204 3.676 17689 476 1 4 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.218 0.102 17689 477 1 4 . 1 1 3 3 GLN H H 3 8.473 8.473 8.547 -0.074 17689 478 1 4 . 1 1 4 4 ASN N N 4 119.910 119.910 119.240 0.670 17689 479 1 4 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.514 0.136 17689 480 1 4 . 1 1 4 4 ASN H H 4 8.381 8.381 8.524 -0.143 17689 481 1 4 . 1 1 5 5 ASP N N 5 119.700 119.700 117.605 2.095 17689 482 1 4 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.524 0.044 17689 483 1 4 . 1 1 5 5 ASP H H 5 8.238 8.238 7.575 0.663 17689 484 1 4 . 1 1 6 6 PHE N N 6 119.540 119.540 119.554 -0.014 17689 485 1 4 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.467 0.196 17689 486 1 4 . 1 1 6 6 PHE H H 6 8.025 8.025 8.340 -0.315 17689 487 1 4 . 1 1 7 7 VAL N N 7 120.550 120.550 115.894 4.656 17689 488 1 4 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.513 0.645 17689 489 1 4 . 1 1 7 7 VAL H H 7 7.985 7.985 7.140 0.845 17689 490 1 4 . 1 1 8 8 ASP N N 8 123.470 123.470 120.280 3.190 17689 491 1 4 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.249 0.374 17689 492 1 4 . 1 1 8 8 ASP H H 8 8.205 8.205 8.757 -0.552 17689 493 1 4 . 1 1 9 9 SER N N 9 116.500 116.500 114.067 2.433 17689 494 1 4 . 1 1 9 9 SER HA H 9 4.785 4.785 4.872 -0.087 17689 495 1 4 . 1 1 9 9 SER H H 9 8.337 8.337 7.837 0.500 17689 496 1 4 . 1 1 10 10 TYR N N 10 120.450 120.450 120.873 -0.423 17689 497 1 4 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.467 0.586 17689 498 1 4 . 1 1 10 10 TYR H H 10 9.584 9.584 8.373 1.211 17689 499 1 4 . 1 1 11 11 ASP N N 11 121.160 121.160 122.490 -1.330 17689 500 1 4 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.763 0.770 17689 501 1 4 . 1 1 11 11 ASP H H 11 8.970 8.970 8.962 0.008 17689 502 1 4 . 1 1 12 12 VAL N N 12 123.530 123.530 126.708 -3.178 17689 503 1 4 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.454 0.839 17689 504 1 4 . 1 1 12 12 VAL H H 12 9.182 9.182 8.637 0.545 17689 505 1 4 . 1 1 13 13 THR N N 13 124.760 124.760 124.592 0.168 17689 506 1 4 . 1 1 13 13 THR HA H 13 5.139 5.139 4.371 0.768 17689 507 1 4 . 1 1 13 13 THR H H 13 9.172 9.172 8.985 0.187 17689 508 1 4 . 1 1 14 14 MET N N 14 124.600 124.600 127.691 -3.091 17689 509 1 4 . 1 1 14 14 MET HA H 14 5.216 5.216 5.103 0.113 17689 510 1 4 . 1 1 14 14 MET H H 14 9.172 9.172 9.120 0.052 17689 511 1 4 . 1 1 15 15 LEU N N 15 125.470 125.470 122.010 3.460 17689 512 1 4 . 1 1 15 15 LEU HA H 15 4.441 4.441 4.941 -0.500 17689 513 1 4 . 1 1 15 15 LEU H H 15 8.934 8.934 8.810 0.124 17689 514 1 4 . 1 1 16 16 LEU N N 16 129.120 129.120 123.345 5.775 17689 515 1 4 . 1 1 16 16 LEU HA H 16 5.185 5.185 5.147 0.038 17689 516 1 4 . 1 1 16 16 LEU H H 16 8.674 8.674 8.726 -0.052 17689 517 1 4 . 1 1 17 17 GLN N N 17 118.200 118.200 117.964 0.236 17689 518 1 4 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.857 0.455 17689 519 1 4 . 1 1 17 17 GLN H H 17 8.638 8.638 8.135 0.503 17689 520 1 4 . 1 1 18 18 ASP N N 18 126.700 126.700 125.109 1.591 17689 521 1 4 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.774 0.034 17689 522 1 4 . 1 1 18 18 ASP H H 18 8.877 8.877 8.970 -0.093 17689 523 1 4 . 1 1 19 19 ASP N N 19 117.840 117.840 122.756 -4.916 17689 524 1 4 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.402 0.052 17689 525 1 4 . 1 1 19 19 ASP H H 19 8.775 8.775 8.715 0.060 17689 526 1 4 . 1 1 20 20 ASP N N 20 118.400 118.400 117.709 0.691 17689 527 1 4 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.586 0.255 17689 528 1 4 . 1 1 20 20 ASP H H 20 8.261 8.261 8.412 -0.151 17689 529 1 4 . 1 1 21 21 GLY N N 21 108.270 108.270 106.471 1.799 17689 530 1 4 . 1 1 21 21 GLY H H 21 8.188 8.188 8.056 0.132 17689 531 1 4 . 1 1 22 22 LYS N N 22 123.480 123.480 122.477 1.003 17689 532 1 4 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.230 0.075 17689 533 1 4 . 1 1 22 22 LYS H H 22 8.433 8.433 8.130 0.303 17689 534 1 4 . 1 1 23 23 GLN N N 23 122.260 122.260 126.295 -4.035 17689 535 1 4 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.958 0.752 17689 536 1 4 . 1 1 23 23 GLN H H 23 8.426 8.426 8.736 -0.310 17689 537 1 4 . 1 1 24 24 TYR N N 24 120.420 120.420 119.874 0.546 17689 538 1 4 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.992 -0.088 17689 539 1 4 . 1 1 24 24 TYR H H 24 8.927 8.927 8.817 0.110 17689 540 1 4 . 1 1 25 25 TYR N N 25 118.880 118.880 121.407 -2.527 17689 541 1 4 . 1 1 25 25 TYR HA H 25 5.384 5.384 4.813 0.571 17689 542 1 4 . 1 1 25 25 TYR H H 25 8.654 8.654 8.925 -0.271 17689 543 1 4 . 1 1 26 26 GLU N N 26 120.270 120.270 122.909 -2.639 17689 544 1 4 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.723 -0.103 17689 545 1 4 . 1 1 26 26 GLU H H 26 9.067 9.067 8.986 0.081 17689 546 1 4 . 1 1 27 27 TYR N N 27 123.610 123.610 122.119 1.491 17689 547 1 4 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.370 1.050 17689 548 1 4 . 1 1 27 27 TYR H H 27 8.654 8.654 8.592 0.062 17689 549 1 4 . 1 1 28 28 HIS N N 28 120.690 120.690 125.919 -5.229 17689 550 1 4 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.931 -0.073 17689 551 1 4 . 1 1 28 28 HIS H H 28 9.114 9.114 8.836 0.278 17689 552 1 4 . 1 1 29 29 LYS N N 29 124.700 124.700 121.732 2.968 17689 553 1 4 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.945 0.016 17689 554 1 4 . 1 1 29 29 LYS H H 29 8.871 8.871 8.207 0.664 17689 555 1 4 . 1 1 30 30 GLY N N 30 112.960 112.960 107.747 5.213 17689 556 1 4 . 1 1 30 30 GLY H H 30 8.739 8.739 8.591 0.148 17689 557 1 4 . 1 1 31 31 LEU N N 31 122.260 122.260 113.584 8.676 17689 558 1 4 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.912 -0.130 17689 559 1 4 . 1 1 31 31 LEU H H 31 9.349 9.349 7.797 1.552 17689 560 1 4 . 1 1 32 32 SER N N 32 117.760 117.760 112.826 4.934 17689 561 1 4 . 1 1 32 32 SER HA H 32 5.053 5.053 4.832 0.221 17689 562 1 4 . 1 1 32 32 SER H H 32 8.993 8.993 8.824 0.169 17689 563 1 4 . 1 1 33 33 LEU N N 33 122.480 122.480 121.780 0.700 17689 564 1 4 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.237 -0.136 17689 565 1 4 . 1 1 33 33 LEU H H 33 9.582 9.582 8.588 0.994 17689 566 1 4 . 1 1 34 34 SER N N 34 113.790 113.790 114.581 -0.791 17689 567 1 4 . 1 1 34 34 SER HA H 34 4.210 4.210 4.211 -0.001 17689 568 1 4 . 1 1 34 34 SER H H 34 8.324 8.324 8.102 0.222 17689 569 1 4 . 1 1 35 35 ASP N N 35 121.960 121.960 122.187 -0.227 17689 570 1 4 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.558 -0.115 17689 571 1 4 . 1 1 35 35 ASP H H 35 7.938 7.938 7.465 0.473 17689 572 1 4 . 1 1 36 36 PHE N N 36 122.350 122.350 122.142 0.208 17689 573 1 4 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.089 0.011 17689 574 1 4 . 1 1 36 36 PHE H H 36 8.649 8.649 8.663 -0.014 17689 575 1 4 . 1 1 37 37 GLU N N 37 120.010 120.010 118.920 1.090 17689 576 1 4 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.598 -0.310 17689 577 1 4 . 1 1 37 37 GLU H H 37 8.169 8.169 8.294 -0.125 17689 578 1 4 . 1 1 38 38 VAL N N 38 119.850 119.850 120.009 -0.159 17689 579 1 4 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.655 -0.093 17689 580 1 4 . 1 1 38 38 VAL H H 38 7.404 7.404 7.249 0.155 17689 581 1 4 . 1 1 39 39 LEU N N 39 121.490 121.490 121.273 0.217 17689 582 1 4 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.919 0.039 17689 583 1 4 . 1 1 39 39 LEU H H 39 7.593 7.593 7.801 -0.208 17689 584 1 4 . 1 1 40 40 TYR N N 40 120.440 120.440 119.750 0.690 17689 585 1 4 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.170 -0.523 17689 586 1 4 . 1 1 40 40 TYR H H 40 8.743 8.743 8.782 -0.039 17689 587 1 4 . 1 1 41 41 GLY N N 41 105.790 105.790 105.454 0.336 17689 588 1 4 . 1 1 41 41 GLY H H 41 7.678 7.678 8.339 -0.661 17689 589 1 4 . 1 1 42 42 ASN N N 42 116.630 116.630 117.153 -0.523 17689 590 1 4 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.792 -0.002 17689 591 1 4 . 1 1 42 42 ASN H H 42 7.370 7.370 8.203 -0.833 17689 592 1 4 . 1 1 43 43 THR N N 43 117.900 117.900 114.311 3.589 17689 593 1 4 . 1 1 43 43 THR HA H 43 4.052 4.052 4.491 -0.439 17689 594 1 4 . 1 1 43 43 THR H H 43 7.271 7.271 8.052 -0.781 17689 595 1 4 . 1 1 44 44 ALA HA H 44 4.303 4.303 4.235 0.068 17689 596 1 4 . 1 1 44 44 ALA H H 44 8.500 8.500 7.623 0.877 17689 597 1 4 . 1 1 45 45 ASP N N 45 117.770 117.770 119.929 -2.159 17689 598 1 4 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.331 0.546 17689 599 1 4 . 1 1 45 45 ASP H H 45 7.403 7.403 8.365 -0.962 17689 600 1 4 . 1 1 46 46 GLU N N 46 118.810 118.810 119.653 -0.843 17689 601 1 4 . 1 1 46 46 GLU HA H 46 4.068 4.068 4.565 -0.497 17689 602 1 4 . 1 1 46 46 GLU H H 46 7.704 7.704 8.431 -0.727 17689 603 1 4 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.904 -0.014 17689 604 1 4 . 1 1 47 47 ILE H H 47 8.530 8.530 8.621 -0.091 17689 605 1 4 . 1 1 48 48 ILE N N 48 129.130 129.130 129.398 -0.268 17689 606 1 4 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.295 0.027 17689 607 1 4 . 1 1 48 48 ILE H H 48 9.177 9.177 8.528 0.649 17689 608 1 4 . 1 1 49 49 LYS N N 49 115.080 115.080 119.331 -4.251 17689 609 1 4 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.600 0.714 17689 610 1 4 . 1 1 49 49 LYS H H 49 7.964 7.964 7.954 0.010 17689 611 1 4 . 1 1 50 50 LEU N N 50 122.010 122.010 118.610 3.400 17689 612 1 4 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.365 -0.152 17689 613 1 4 . 1 1 50 50 LEU H H 50 9.012 9.012 8.253 0.759 17689 614 1 4 . 1 1 51 51 ARG N N 51 127.740 127.740 123.177 4.563 17689 615 1 4 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.699 0.512 17689 616 1 4 . 1 1 51 51 ARG H H 51 9.503 9.503 8.855 0.648 17689 617 1 4 . 1 1 52 52 LEU N N 52 124.920 124.920 126.491 -1.571 17689 618 1 4 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.237 -0.064 17689 619 1 4 . 1 1 52 52 LEU H H 52 8.658 8.658 8.469 0.189 17689 620 1 4 . 1 1 53 53 ASP N N 53 124.020 124.020 125.955 -1.935 17689 621 1 4 . 1 1 53 53 ASP HA H 53 5.448 5.448 4.970 0.478 17689 622 1 4 . 1 1 53 53 ASP H H 53 8.773 8.773 8.844 -0.071 17689 623 1 4 . 1 1 54 54 LYS N N 54 126.280 126.280 124.231 2.049 17689 624 1 4 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.221 0.572 17689 625 1 4 . 1 1 54 54 LYS H H 54 8.762 8.762 8.341 0.421 17689 626 1 4 . 1 1 55 55 VAL N N 55 128.630 128.630 119.602 9.028 17689 627 1 4 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.232 -0.332 17689 628 1 4 . 1 1 55 55 VAL H H 55 8.630 8.630 7.748 0.882 17689 629 1 5 . 1 1 2 2 VAL N N 2 122.900 122.900 119.785 3.115 17689 630 1 5 . 1 1 2 2 VAL HA H 2 4.163 4.163 3.957 0.206 17689 631 1 5 . 1 1 2 2 VAL H H 2 8.565 8.565 8.077 0.488 17689 632 1 5 . 1 1 3 3 GLN N N 3 123.880 123.880 120.690 3.190 17689 633 1 5 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.130 0.190 17689 634 1 5 . 1 1 3 3 GLN H H 3 8.473 8.473 8.039 0.434 17689 635 1 5 . 1 1 4 4 ASN N N 4 119.910 119.910 123.640 -3.730 17689 636 1 5 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.632 0.018 17689 637 1 5 . 1 1 4 4 ASN H H 4 8.381 8.381 8.381 0.000 17689 638 1 5 . 1 1 5 5 ASP N N 5 119.700 119.700 123.507 -3.807 17689 639 1 5 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.346 0.222 17689 640 1 5 . 1 1 5 5 ASP H H 5 8.238 8.238 8.641 -0.403 17689 641 1 5 . 1 1 6 6 PHE N N 6 119.540 119.540 115.562 3.978 17689 642 1 5 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.104 0.559 17689 643 1 5 . 1 1 6 6 PHE H H 6 8.025 8.025 7.645 0.380 17689 644 1 5 . 1 1 7 7 VAL N N 7 120.550 120.550 119.544 1.006 17689 645 1 5 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.806 0.352 17689 646 1 5 . 1 1 7 7 VAL H H 7 7.985 7.985 7.945 0.040 17689 647 1 5 . 1 1 8 8 ASP N N 8 123.470 123.470 126.632 -3.162 17689 648 1 5 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.813 -0.190 17689 649 1 5 . 1 1 8 8 ASP H H 8 8.205 8.205 8.381 -0.176 17689 650 1 5 . 1 1 9 9 SER N N 9 116.500 116.500 113.843 2.657 17689 651 1 5 . 1 1 9 9 SER HA H 9 4.785 4.785 4.606 0.179 17689 652 1 5 . 1 1 9 9 SER H H 9 8.337 8.337 8.104 0.233 17689 653 1 5 . 1 1 10 10 TYR N N 10 120.450 120.450 120.186 0.264 17689 654 1 5 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.426 0.627 17689 655 1 5 . 1 1 10 10 TYR H H 10 9.584 9.584 8.380 1.204 17689 656 1 5 . 1 1 11 11 ASP N N 11 121.160 121.160 120.997 0.163 17689 657 1 5 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.916 0.617 17689 658 1 5 . 1 1 11 11 ASP H H 11 8.970 8.970 8.895 0.075 17689 659 1 5 . 1 1 12 12 VAL N N 12 123.530 123.530 127.588 -4.058 17689 660 1 5 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.975 0.318 17689 661 1 5 . 1 1 12 12 VAL H H 12 9.182 9.182 8.691 0.491 17689 662 1 5 . 1 1 13 13 THR N N 13 124.760 124.760 125.707 -0.947 17689 663 1 5 . 1 1 13 13 THR HA H 13 5.139 5.139 4.792 0.347 17689 664 1 5 . 1 1 13 13 THR H H 13 9.172 9.172 9.355 -0.183 17689 665 1 5 . 1 1 14 14 MET N N 14 124.600 124.600 128.742 -4.142 17689 666 1 5 . 1 1 14 14 MET HA H 14 5.216 5.216 5.371 -0.155 17689 667 1 5 . 1 1 14 14 MET H H 14 9.172 9.172 9.351 -0.179 17689 668 1 5 . 1 1 15 15 LEU N N 15 125.470 125.470 126.251 -0.781 17689 669 1 5 . 1 1 15 15 LEU HA H 15 4.441 4.441 4.812 -0.371 17689 670 1 5 . 1 1 15 15 LEU H H 15 8.934 8.934 8.951 -0.017 17689 671 1 5 . 1 1 16 16 LEU N N 16 129.120 129.120 125.333 3.787 17689 672 1 5 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.951 0.234 17689 673 1 5 . 1 1 16 16 LEU H H 16 8.674 8.674 7.757 0.917 17689 674 1 5 . 1 1 17 17 GLN N N 17 118.200 118.200 118.630 -0.430 17689 675 1 5 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.689 0.623 17689 676 1 5 . 1 1 17 17 GLN H H 17 8.638 8.638 7.926 0.712 17689 677 1 5 . 1 1 18 18 ASP N N 18 126.700 126.700 125.953 0.747 17689 678 1 5 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.789 0.019 17689 679 1 5 . 1 1 18 18 ASP H H 18 8.877 8.877 9.013 -0.136 17689 680 1 5 . 1 1 19 19 ASP N N 19 117.840 117.840 120.950 -3.110 17689 681 1 5 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.380 0.074 17689 682 1 5 . 1 1 19 19 ASP H H 19 8.775 8.775 8.735 0.040 17689 683 1 5 . 1 1 20 20 ASP N N 20 118.400 118.400 116.871 1.529 17689 684 1 5 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.549 0.292 17689 685 1 5 . 1 1 20 20 ASP H H 20 8.261 8.261 8.257 0.004 17689 686 1 5 . 1 1 21 21 GLY N N 21 108.270 108.270 108.938 -0.668 17689 687 1 5 . 1 1 21 21 GLY H H 21 8.188 8.188 8.161 0.027 17689 688 1 5 . 1 1 22 22 LYS N N 22 123.480 123.480 122.832 0.648 17689 689 1 5 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.205 0.100 17689 690 1 5 . 1 1 22 22 LYS H H 22 8.433 8.433 7.712 0.721 17689 691 1 5 . 1 1 23 23 GLN N N 23 122.260 122.260 126.389 -4.129 17689 692 1 5 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.906 0.804 17689 693 1 5 . 1 1 23 23 GLN H H 23 8.426 8.426 8.793 -0.367 17689 694 1 5 . 1 1 24 24 TYR N N 24 120.420 120.420 122.230 -1.810 17689 695 1 5 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.888 0.016 17689 696 1 5 . 1 1 24 24 TYR H H 24 8.927 8.927 8.725 0.202 17689 697 1 5 . 1 1 25 25 TYR N N 25 118.880 118.880 125.991 -7.111 17689 698 1 5 . 1 1 25 25 TYR HA H 25 5.384 5.384 4.862 0.522 17689 699 1 5 . 1 1 25 25 TYR H H 25 8.654 8.654 8.980 -0.326 17689 700 1 5 . 1 1 26 26 GLU N N 26 120.270 120.270 120.853 -0.583 17689 701 1 5 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.476 0.144 17689 702 1 5 . 1 1 26 26 GLU H H 26 9.067 9.067 8.904 0.163 17689 703 1 5 . 1 1 27 27 TYR N N 27 123.610 123.610 120.433 3.177 17689 704 1 5 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.641 0.778 17689 705 1 5 . 1 1 27 27 TYR H H 27 8.654 8.654 8.723 -0.069 17689 706 1 5 . 1 1 28 28 HIS N N 28 120.690 120.690 125.644 -4.954 17689 707 1 5 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.966 -0.108 17689 708 1 5 . 1 1 28 28 HIS H H 28 9.114 9.114 9.109 0.005 17689 709 1 5 . 1 1 29 29 LYS N N 29 124.700 124.700 120.801 3.899 17689 710 1 5 . 1 1 29 29 LYS HA H 29 4.961 4.961 5.105 -0.144 17689 711 1 5 . 1 1 29 29 LYS H H 29 8.871 8.871 7.773 1.098 17689 712 1 5 . 1 1 30 30 GLY N N 30 112.960 112.960 108.599 4.361 17689 713 1 5 . 1 1 30 30 GLY H H 30 8.739 8.739 8.223 0.516 17689 714 1 5 . 1 1 31 31 LEU N N 31 122.260 122.260 113.019 9.241 17689 715 1 5 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.912 -0.130 17689 716 1 5 . 1 1 31 31 LEU H H 31 9.349 9.349 7.693 1.656 17689 717 1 5 . 1 1 32 32 SER N N 32 117.760 117.760 113.486 4.274 17689 718 1 5 . 1 1 32 32 SER HA H 32 5.053 5.053 4.847 0.206 17689 719 1 5 . 1 1 32 32 SER H H 32 8.993 8.993 8.095 0.898 17689 720 1 5 . 1 1 33 33 LEU N N 33 122.480 122.480 122.292 0.188 17689 721 1 5 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.111 -0.010 17689 722 1 5 . 1 1 33 33 LEU H H 33 9.582 9.582 8.561 1.021 17689 723 1 5 . 1 1 34 34 SER N N 34 113.790 113.790 114.157 -0.367 17689 724 1 5 . 1 1 34 34 SER HA H 34 4.210 4.210 4.198 0.012 17689 725 1 5 . 1 1 34 34 SER H H 34 8.324 8.324 8.131 0.193 17689 726 1 5 . 1 1 35 35 ASP N N 35 121.960 121.960 122.157 -0.197 17689 727 1 5 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.589 -0.146 17689 728 1 5 . 1 1 35 35 ASP H H 35 7.938 7.938 7.718 0.220 17689 729 1 5 . 1 1 36 36 PHE N N 36 122.350 122.350 122.021 0.329 17689 730 1 5 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.121 -0.021 17689 731 1 5 . 1 1 36 36 PHE H H 36 8.649 8.649 8.547 0.102 17689 732 1 5 . 1 1 37 37 GLU N N 37 120.010 120.010 118.696 1.314 17689 733 1 5 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.612 -0.324 17689 734 1 5 . 1 1 37 37 GLU H H 37 8.169 8.169 8.277 -0.108 17689 735 1 5 . 1 1 38 38 VAL N N 38 119.850 119.850 119.968 -0.118 17689 736 1 5 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.608 -0.046 17689 737 1 5 . 1 1 38 38 VAL H H 38 7.404 7.404 7.204 0.200 17689 738 1 5 . 1 1 39 39 LEU N N 39 121.490 121.490 121.811 -0.321 17689 739 1 5 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.890 0.068 17689 740 1 5 . 1 1 39 39 LEU H H 39 7.593 7.593 7.581 0.012 17689 741 1 5 . 1 1 40 40 TYR N N 40 120.440 120.440 118.676 1.764 17689 742 1 5 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.135 -0.488 17689 743 1 5 . 1 1 40 40 TYR H H 40 8.743 8.743 8.526 0.217 17689 744 1 5 . 1 1 41 41 GLY N N 41 105.790 105.790 105.873 -0.083 17689 745 1 5 . 1 1 41 41 GLY H H 41 7.678 7.678 7.775 -0.097 17689 746 1 5 . 1 1 42 42 ASN N N 42 116.630 116.630 117.540 -0.910 17689 747 1 5 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.771 0.019 17689 748 1 5 . 1 1 42 42 ASN H H 42 7.370 7.370 8.244 -0.874 17689 749 1 5 . 1 1 43 43 THR N N 43 117.900 117.900 113.550 4.350 17689 750 1 5 . 1 1 43 43 THR HA H 43 4.052 4.052 4.574 -0.522 17689 751 1 5 . 1 1 43 43 THR H H 43 7.271 7.271 8.129 -0.858 17689 752 1 5 . 1 1 44 44 ALA HA H 44 4.303 4.303 4.129 0.174 17689 753 1 5 . 1 1 44 44 ALA H H 44 8.500 8.500 7.885 0.615 17689 754 1 5 . 1 1 45 45 ASP N N 45 117.770 117.770 121.207 -3.437 17689 755 1 5 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.408 0.469 17689 756 1 5 . 1 1 45 45 ASP H H 45 7.403 7.403 7.779 -0.376 17689 757 1 5 . 1 1 46 46 GLU N N 46 118.810 118.810 118.389 0.421 17689 758 1 5 . 1 1 46 46 GLU HA H 46 4.068 4.068 3.853 0.215 17689 759 1 5 . 1 1 46 46 GLU H H 46 7.704 7.704 8.515 -0.811 17689 760 1 5 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.911 -0.021 17689 761 1 5 . 1 1 47 47 ILE H H 47 8.530 8.530 7.681 0.849 17689 762 1 5 . 1 1 48 48 ILE N N 48 129.130 129.130 127.792 1.338 17689 763 1 5 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.325 -0.003 17689 764 1 5 . 1 1 48 48 ILE H H 48 9.177 9.177 8.851 0.326 17689 765 1 5 . 1 1 49 49 LYS N N 49 115.080 115.080 118.742 -3.662 17689 766 1 5 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.613 0.701 17689 767 1 5 . 1 1 49 49 LYS H H 49 7.964 7.964 7.693 0.271 17689 768 1 5 . 1 1 50 50 LEU N N 50 122.010 122.010 123.822 -1.812 17689 769 1 5 . 1 1 50 50 LEU HA H 50 5.213 5.213 4.971 0.242 17689 770 1 5 . 1 1 50 50 LEU H H 50 9.012 9.012 8.677 0.335 17689 771 1 5 . 1 1 51 51 ARG N N 51 127.740 127.740 127.707 0.033 17689 772 1 5 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.726 0.485 17689 773 1 5 . 1 1 51 51 ARG H H 51 9.503 9.503 9.001 0.502 17689 774 1 5 . 1 1 52 52 LEU N N 52 124.920 124.920 127.621 -2.701 17689 775 1 5 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.438 -0.265 17689 776 1 5 . 1 1 52 52 LEU H H 52 8.658 8.658 8.598 0.060 17689 777 1 5 . 1 1 53 53 ASP N N 53 124.020 124.020 125.678 -1.658 17689 778 1 5 . 1 1 53 53 ASP HA H 53 5.448 5.448 5.087 0.361 17689 779 1 5 . 1 1 53 53 ASP H H 53 8.773 8.773 9.012 -0.239 17689 780 1 5 . 1 1 54 54 LYS N N 54 126.280 126.280 123.247 3.033 17689 781 1 5 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.373 0.420 17689 782 1 5 . 1 1 54 54 LYS H H 54 8.762 8.762 8.376 0.386 17689 783 1 5 . 1 1 55 55 VAL N N 55 128.630 128.630 120.561 8.069 17689 784 1 5 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.097 -0.197 17689 785 1 5 . 1 1 55 55 VAL H H 55 8.630 8.630 7.672 0.958 17689 786 1 6 . 1 1 2 2 VAL N N 2 122.900 122.900 123.934 -1.034 17689 787 1 6 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.020 0.143 17689 788 1 6 . 1 1 2 2 VAL H H 2 8.565 8.565 8.255 0.310 17689 789 1 6 . 1 1 3 3 GLN N N 3 123.880 123.880 128.721 -4.841 17689 790 1 6 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.322 -0.003 17689 791 1 6 . 1 1 3 3 GLN H H 3 8.473 8.473 8.668 -0.195 17689 792 1 6 . 1 1 4 4 ASN N N 4 119.910 119.910 120.812 -0.902 17689 793 1 6 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.685 -0.035 17689 794 1 6 . 1 1 4 4 ASN H H 4 8.381 8.381 8.186 0.195 17689 795 1 6 . 1 1 5 5 ASP N N 5 119.700 119.700 120.115 -0.415 17689 796 1 6 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.653 -0.085 17689 797 1 6 . 1 1 5 5 ASP H H 5 8.238 8.238 8.363 -0.125 17689 798 1 6 . 1 1 6 6 PHE N N 6 119.540 119.540 119.669 -0.129 17689 799 1 6 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.142 0.521 17689 800 1 6 . 1 1 6 6 PHE H H 6 8.025 8.025 7.872 0.153 17689 801 1 6 . 1 1 7 7 VAL N N 7 120.550 120.550 120.697 -0.147 17689 802 1 6 . 1 1 7 7 VAL HA H 7 4.158 4.158 4.072 0.086 17689 803 1 6 . 1 1 7 7 VAL H H 7 7.985 7.985 8.290 -0.305 17689 804 1 6 . 1 1 8 8 ASP N N 8 123.470 123.470 122.559 0.911 17689 805 1 6 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.723 -0.100 17689 806 1 6 . 1 1 8 8 ASP H H 8 8.205 8.205 8.445 -0.240 17689 807 1 6 . 1 1 9 9 SER N N 9 116.500 116.500 112.891 3.609 17689 808 1 6 . 1 1 9 9 SER HA H 9 4.785 4.785 4.159 0.626 17689 809 1 6 . 1 1 9 9 SER H H 9 8.337 8.337 8.609 -0.272 17689 810 1 6 . 1 1 10 10 TYR N N 10 120.450 120.450 120.162 0.288 17689 811 1 6 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.470 0.583 17689 812 1 6 . 1 1 10 10 TYR H H 10 9.584 9.584 8.417 1.167 17689 813 1 6 . 1 1 11 11 ASP N N 11 121.160 121.160 120.161 0.999 17689 814 1 6 . 1 1 11 11 ASP HA H 11 5.533 5.533 5.020 0.513 17689 815 1 6 . 1 1 11 11 ASP H H 11 8.970 8.970 8.932 0.038 17689 816 1 6 . 1 1 12 12 VAL N N 12 123.530 123.530 125.070 -1.540 17689 817 1 6 . 1 1 12 12 VAL HA H 12 5.293 5.293 5.084 0.209 17689 818 1 6 . 1 1 12 12 VAL H H 12 9.182 9.182 8.757 0.425 17689 819 1 6 . 1 1 13 13 THR N N 13 124.760 124.760 122.799 1.961 17689 820 1 6 . 1 1 13 13 THR HA H 13 5.139 5.139 4.995 0.144 17689 821 1 6 . 1 1 13 13 THR H H 13 9.172 9.172 9.129 0.043 17689 822 1 6 . 1 1 14 14 MET N N 14 124.600 124.600 126.954 -2.354 17689 823 1 6 . 1 1 14 14 MET HA H 14 5.216 5.216 5.164 0.052 17689 824 1 6 . 1 1 14 14 MET H H 14 9.172 9.172 9.156 0.016 17689 825 1 6 . 1 1 15 15 LEU N N 15 125.470 125.470 125.428 0.042 17689 826 1 6 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.392 -0.951 17689 827 1 6 . 1 1 15 15 LEU H H 15 8.934 8.934 8.925 0.009 17689 828 1 6 . 1 1 16 16 LEU N N 16 129.120 129.120 126.327 2.793 17689 829 1 6 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.806 0.379 17689 830 1 6 . 1 1 16 16 LEU H H 16 8.674 8.674 8.840 -0.166 17689 831 1 6 . 1 1 17 17 GLN N N 17 118.200 118.200 119.483 -1.283 17689 832 1 6 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.861 0.451 17689 833 1 6 . 1 1 17 17 GLN H H 17 8.638 8.638 8.525 0.113 17689 834 1 6 . 1 1 18 18 ASP N N 18 126.700 126.700 127.646 -0.946 17689 835 1 6 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.750 0.058 17689 836 1 6 . 1 1 18 18 ASP H H 18 8.877 8.877 8.712 0.165 17689 837 1 6 . 1 1 19 19 ASP N N 19 117.840 117.840 122.282 -4.442 17689 838 1 6 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.468 -0.014 17689 839 1 6 . 1 1 19 19 ASP H H 19 8.775 8.775 8.692 0.083 17689 840 1 6 . 1 1 20 20 ASP N N 20 118.400 118.400 117.888 0.512 17689 841 1 6 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.624 0.217 17689 842 1 6 . 1 1 20 20 ASP H H 20 8.261 8.261 8.068 0.193 17689 843 1 6 . 1 1 21 21 GLY N N 21 108.270 108.270 106.879 1.391 17689 844 1 6 . 1 1 21 21 GLY H H 21 8.188 8.188 7.641 0.547 17689 845 1 6 . 1 1 22 22 LYS N N 22 123.480 123.480 121.205 2.275 17689 846 1 6 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.329 -0.024 17689 847 1 6 . 1 1 22 22 LYS H H 22 8.433 8.433 8.051 0.382 17689 848 1 6 . 1 1 23 23 GLN N N 23 122.260 122.260 126.347 -4.087 17689 849 1 6 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.966 0.744 17689 850 1 6 . 1 1 23 23 GLN H H 23 8.426 8.426 8.791 -0.365 17689 851 1 6 . 1 1 24 24 TYR N N 24 120.420 120.420 120.788 -0.368 17689 852 1 6 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.951 -0.047 17689 853 1 6 . 1 1 24 24 TYR H H 24 8.927 8.927 8.938 -0.011 17689 854 1 6 . 1 1 25 25 TYR N N 25 118.880 118.880 125.886 -7.006 17689 855 1 6 . 1 1 25 25 TYR HA H 25 5.384 5.384 5.507 -0.123 17689 856 1 6 . 1 1 25 25 TYR H H 25 8.654 8.654 8.786 -0.132 17689 857 1 6 . 1 1 26 26 GLU N N 26 120.270 120.270 126.679 -6.409 17689 858 1 6 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.438 0.182 17689 859 1 6 . 1 1 26 26 GLU H H 26 9.067 9.067 8.648 0.419 17689 860 1 6 . 1 1 27 27 TYR N N 27 123.610 123.610 119.749 3.861 17689 861 1 6 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.812 0.607 17689 862 1 6 . 1 1 27 27 TYR H H 27 8.654 8.654 8.399 0.255 17689 863 1 6 . 1 1 28 28 HIS N N 28 120.690 120.690 122.109 -1.419 17689 864 1 6 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.935 -0.077 17689 865 1 6 . 1 1 28 28 HIS H H 28 9.114 9.114 9.356 -0.242 17689 866 1 6 . 1 1 29 29 LYS N N 29 124.700 124.700 121.368 3.332 17689 867 1 6 . 1 1 29 29 LYS HA H 29 4.961 4.961 5.119 -0.158 17689 868 1 6 . 1 1 29 29 LYS H H 29 8.871 8.871 9.021 -0.150 17689 869 1 6 . 1 1 30 30 GLY N N 30 112.960 112.960 108.472 4.488 17689 870 1 6 . 1 1 30 30 GLY H H 30 8.739 8.739 8.200 0.539 17689 871 1 6 . 1 1 31 31 LEU N N 31 122.260 122.260 112.964 9.296 17689 872 1 6 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.912 -0.130 17689 873 1 6 . 1 1 31 31 LEU H H 31 9.349 9.349 7.823 1.526 17689 874 1 6 . 1 1 32 32 SER N N 32 117.760 117.760 113.055 4.705 17689 875 1 6 . 1 1 32 32 SER HA H 32 5.053 5.053 4.766 0.287 17689 876 1 6 . 1 1 32 32 SER H H 32 8.993 8.993 8.812 0.181 17689 877 1 6 . 1 1 33 33 LEU N N 33 122.480 122.480 121.393 1.087 17689 878 1 6 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.113 -0.012 17689 879 1 6 . 1 1 33 33 LEU H H 33 9.582 9.582 8.571 1.011 17689 880 1 6 . 1 1 34 34 SER N N 34 113.790 113.790 114.750 -0.960 17689 881 1 6 . 1 1 34 34 SER HA H 34 4.210 4.210 4.300 -0.090 17689 882 1 6 . 1 1 34 34 SER H H 34 8.324 8.324 7.755 0.569 17689 883 1 6 . 1 1 35 35 ASP N N 35 121.960 121.960 122.890 -0.930 17689 884 1 6 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.511 -0.068 17689 885 1 6 . 1 1 35 35 ASP H H 35 7.938 7.938 7.523 0.415 17689 886 1 6 . 1 1 36 36 PHE N N 36 122.350 122.350 121.530 0.820 17689 887 1 6 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.081 0.019 17689 888 1 6 . 1 1 36 36 PHE H H 36 8.649 8.649 8.559 0.090 17689 889 1 6 . 1 1 37 37 GLU N N 37 120.010 120.010 119.083 0.927 17689 890 1 6 . 1 1 37 37 GLU HA H 37 3.288 3.288 4.045 -0.757 17689 891 1 6 . 1 1 37 37 GLU H H 37 8.169 8.169 7.865 0.304 17689 892 1 6 . 1 1 38 38 VAL N N 38 119.850 119.850 120.254 -0.404 17689 893 1 6 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.712 -0.150 17689 894 1 6 . 1 1 38 38 VAL H H 38 7.404 7.404 7.395 0.009 17689 895 1 6 . 1 1 39 39 LEU N N 39 121.490 121.490 122.181 -0.691 17689 896 1 6 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.947 0.011 17689 897 1 6 . 1 1 39 39 LEU H H 39 7.593 7.593 7.896 -0.303 17689 898 1 6 . 1 1 40 40 TYR N N 40 120.440 120.440 119.687 0.753 17689 899 1 6 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.111 -0.464 17689 900 1 6 . 1 1 40 40 TYR H H 40 8.743 8.743 8.539 0.204 17689 901 1 6 . 1 1 41 41 GLY N N 41 105.790 105.790 105.167 0.623 17689 902 1 6 . 1 1 41 41 GLY H H 41 7.678 7.678 7.908 -0.230 17689 903 1 6 . 1 1 42 42 ASN N N 42 116.630 116.630 118.249 -1.619 17689 904 1 6 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.646 0.144 17689 905 1 6 . 1 1 42 42 ASN H H 42 7.370 7.370 8.295 -0.925 17689 906 1 6 . 1 1 43 43 THR N N 43 117.900 117.900 114.573 3.327 17689 907 1 6 . 1 1 43 43 THR HA H 43 4.052 4.052 4.226 -0.174 17689 908 1 6 . 1 1 43 43 THR H H 43 7.271 7.271 7.650 -0.379 17689 909 1 6 . 1 1 44 44 ALA HA H 44 4.303 4.303 3.847 0.456 17689 910 1 6 . 1 1 44 44 ALA H H 44 8.500 8.500 8.313 0.187 17689 911 1 6 . 1 1 45 45 ASP N N 45 117.770 117.770 120.707 -2.937 17689 912 1 6 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.731 0.146 17689 913 1 6 . 1 1 45 45 ASP H H 45 7.403 7.403 8.230 -0.827 17689 914 1 6 . 1 1 46 46 GLU N N 46 118.810 118.810 116.277 2.533 17689 915 1 6 . 1 1 46 46 GLU HA H 46 4.068 4.068 3.849 0.219 17689 916 1 6 . 1 1 46 46 GLU H H 46 7.704 7.704 8.401 -0.697 17689 917 1 6 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.664 0.226 17689 918 1 6 . 1 1 47 47 ILE H H 47 8.530 8.530 7.936 0.594 17689 919 1 6 . 1 1 48 48 ILE N N 48 129.130 129.130 126.791 2.339 17689 920 1 6 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.226 0.096 17689 921 1 6 . 1 1 48 48 ILE H H 48 9.177 9.177 8.581 0.596 17689 922 1 6 . 1 1 49 49 LYS N N 49 115.080 115.080 117.998 -2.918 17689 923 1 6 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.737 0.577 17689 924 1 6 . 1 1 49 49 LYS H H 49 7.964 7.964 7.782 0.182 17689 925 1 6 . 1 1 50 50 LEU N N 50 122.010 122.010 117.333 4.677 17689 926 1 6 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.575 -0.362 17689 927 1 6 . 1 1 50 50 LEU H H 50 9.012 9.012 8.384 0.628 17689 928 1 6 . 1 1 51 51 ARG N N 51 127.740 127.740 119.746 7.994 17689 929 1 6 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.853 0.358 17689 930 1 6 . 1 1 51 51 ARG H H 51 9.503 9.503 9.099 0.404 17689 931 1 6 . 1 1 52 52 LEU N N 52 124.920 124.920 123.218 1.702 17689 932 1 6 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.561 -0.388 17689 933 1 6 . 1 1 52 52 LEU H H 52 8.658 8.658 8.519 0.139 17689 934 1 6 . 1 1 53 53 ASP N N 53 124.020 124.020 123.475 0.545 17689 935 1 6 . 1 1 53 53 ASP HA H 53 5.448 5.448 5.065 0.383 17689 936 1 6 . 1 1 53 53 ASP H H 53 8.773 8.773 9.283 -0.510 17689 937 1 6 . 1 1 54 54 LYS N N 54 126.280 126.280 123.312 2.968 17689 938 1 6 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.356 0.437 17689 939 1 6 . 1 1 54 54 LYS H H 54 8.762 8.762 8.419 0.343 17689 940 1 6 . 1 1 55 55 VAL N N 55 128.630 128.630 118.782 9.848 17689 941 1 6 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.128 -0.228 17689 942 1 6 . 1 1 55 55 VAL H H 55 8.630 8.630 7.603 1.027 17689 943 1 7 . 1 1 2 2 VAL N N 2 122.900 122.900 118.060 4.840 17689 944 1 7 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.675 -0.512 17689 945 1 7 . 1 1 2 2 VAL H H 2 8.565 8.565 8.662 -0.097 17689 946 1 7 . 1 1 3 3 GLN N N 3 123.880 123.880 120.569 3.311 17689 947 1 7 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.124 0.196 17689 948 1 7 . 1 1 3 3 GLN H H 3 8.473 8.473 8.449 0.024 17689 949 1 7 . 1 1 4 4 ASN N N 4 119.910 119.910 122.083 -2.173 17689 950 1 7 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.583 0.067 17689 951 1 7 . 1 1 4 4 ASN H H 4 8.381 8.381 8.615 -0.234 17689 952 1 7 . 1 1 5 5 ASP N N 5 119.700 119.700 118.341 1.359 17689 953 1 7 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.820 -0.252 17689 954 1 7 . 1 1 5 5 ASP H H 5 8.238 8.238 7.704 0.534 17689 955 1 7 . 1 1 6 6 PHE N N 6 119.540 119.540 123.370 -3.830 17689 956 1 7 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.044 0.619 17689 957 1 7 . 1 1 6 6 PHE H H 6 8.025 8.025 9.363 -1.338 17689 958 1 7 . 1 1 7 7 VAL N N 7 120.550 120.550 119.443 1.107 17689 959 1 7 . 1 1 7 7 VAL HA H 7 4.158 4.158 4.227 -0.069 17689 960 1 7 . 1 1 7 7 VAL H H 7 7.985 7.985 7.939 0.046 17689 961 1 7 . 1 1 8 8 ASP N N 8 123.470 123.470 126.344 -2.874 17689 962 1 7 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.616 0.007 17689 963 1 7 . 1 1 8 8 ASP H H 8 8.205 8.205 8.830 -0.625 17689 964 1 7 . 1 1 9 9 SER N N 9 116.500 116.500 114.538 1.962 17689 965 1 7 . 1 1 9 9 SER HA H 9 4.785 4.785 4.672 0.113 17689 966 1 7 . 1 1 9 9 SER H H 9 8.337 8.337 7.590 0.747 17689 967 1 7 . 1 1 10 10 TYR N N 10 120.450 120.450 122.065 -1.615 17689 968 1 7 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.422 0.631 17689 969 1 7 . 1 1 10 10 TYR H H 10 9.584 9.584 8.307 1.277 17689 970 1 7 . 1 1 11 11 ASP N N 11 121.160 121.160 125.074 -3.914 17689 971 1 7 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.983 0.550 17689 972 1 7 . 1 1 11 11 ASP H H 11 8.970 8.970 9.046 -0.076 17689 973 1 7 . 1 1 12 12 VAL N N 12 123.530 123.530 123.675 -0.145 17689 974 1 7 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.573 0.720 17689 975 1 7 . 1 1 12 12 VAL H H 12 9.182 9.182 9.371 -0.189 17689 976 1 7 . 1 1 13 13 THR N N 13 124.760 124.760 125.046 -0.286 17689 977 1 7 . 1 1 13 13 THR HA H 13 5.139 5.139 4.415 0.724 17689 978 1 7 . 1 1 13 13 THR H H 13 9.172 9.172 9.303 -0.131 17689 979 1 7 . 1 1 14 14 MET N N 14 124.600 124.600 127.603 -3.003 17689 980 1 7 . 1 1 14 14 MET HA H 14 5.216 5.216 4.962 0.254 17689 981 1 7 . 1 1 14 14 MET H H 14 9.172 9.172 9.092 0.080 17689 982 1 7 . 1 1 15 15 LEU N N 15 125.470 125.470 124.932 0.538 17689 983 1 7 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.325 -0.884 17689 984 1 7 . 1 1 15 15 LEU H H 15 8.934 8.934 9.079 -0.145 17689 985 1 7 . 1 1 16 16 LEU N N 16 129.120 129.120 124.352 4.768 17689 986 1 7 . 1 1 16 16 LEU HA H 16 5.185 5.185 5.138 0.047 17689 987 1 7 . 1 1 16 16 LEU H H 16 8.674 8.674 8.593 0.081 17689 988 1 7 . 1 1 17 17 GLN N N 17 118.200 118.200 118.961 -0.761 17689 989 1 7 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.907 0.405 17689 990 1 7 . 1 1 17 17 GLN H H 17 8.638 8.638 8.545 0.093 17689 991 1 7 . 1 1 18 18 ASP N N 18 126.700 126.700 127.004 -0.304 17689 992 1 7 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.632 0.176 17689 993 1 7 . 1 1 18 18 ASP H H 18 8.877 8.877 8.920 -0.043 17689 994 1 7 . 1 1 19 19 ASP N N 19 117.840 117.840 122.445 -4.605 17689 995 1 7 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.458 -0.004 17689 996 1 7 . 1 1 19 19 ASP H H 19 8.775 8.775 8.784 -0.009 17689 997 1 7 . 1 1 20 20 ASP N N 20 118.400 118.400 119.302 -0.902 17689 998 1 7 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.585 0.256 17689 999 1 7 . 1 1 20 20 ASP H H 20 8.261 8.261 8.196 0.065 17689 1000 1 7 . 1 1 21 21 GLY N N 21 108.270 108.270 107.848 0.422 17689 1001 1 7 . 1 1 21 21 GLY H H 21 8.188 8.188 8.222 -0.034 17689 1002 1 7 . 1 1 22 22 LYS N N 22 123.480 123.480 122.144 1.336 17689 1003 1 7 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.349 -0.044 17689 1004 1 7 . 1 1 22 22 LYS H H 22 8.433 8.433 8.089 0.344 17689 1005 1 7 . 1 1 23 23 GLN N N 23 122.260 122.260 126.203 -3.943 17689 1006 1 7 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.953 0.757 17689 1007 1 7 . 1 1 23 23 GLN H H 23 8.426 8.426 8.813 -0.387 17689 1008 1 7 . 1 1 24 24 TYR N N 24 120.420 120.420 121.828 -1.408 17689 1009 1 7 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.932 -0.028 17689 1010 1 7 . 1 1 24 24 TYR H H 24 8.927 8.927 9.019 -0.092 17689 1011 1 7 . 1 1 25 25 TYR N N 25 118.880 118.880 122.192 -3.312 17689 1012 1 7 . 1 1 25 25 TYR HA H 25 5.384 5.384 5.334 0.050 17689 1013 1 7 . 1 1 25 25 TYR H H 25 8.654 8.654 8.730 -0.076 17689 1014 1 7 . 1 1 26 26 GLU N N 26 120.270 120.270 129.112 -8.842 17689 1015 1 7 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.540 0.080 17689 1016 1 7 . 1 1 26 26 GLU H H 26 9.067 9.067 8.969 0.098 17689 1017 1 7 . 1 1 27 27 TYR N N 27 123.610 123.610 125.795 -2.185 17689 1018 1 7 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.850 0.569 17689 1019 1 7 . 1 1 27 27 TYR H H 27 8.654 8.654 8.221 0.433 17689 1020 1 7 . 1 1 28 28 HIS N N 28 120.690 120.690 128.047 -7.357 17689 1021 1 7 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.790 0.068 17689 1022 1 7 . 1 1 28 28 HIS H H 28 9.114 9.114 9.523 -0.409 17689 1023 1 7 . 1 1 29 29 LYS N N 29 124.700 124.700 120.519 4.181 17689 1024 1 7 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.961 0.000 17689 1025 1 7 . 1 1 29 29 LYS H H 29 8.871 8.871 8.297 0.574 17689 1026 1 7 . 1 1 30 30 GLY N N 30 112.960 112.960 109.692 3.268 17689 1027 1 7 . 1 1 30 30 GLY H H 30 8.739 8.739 8.383 0.356 17689 1028 1 7 . 1 1 31 31 LEU N N 31 122.260 122.260 117.314 4.946 17689 1029 1 7 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.784 -0.002 17689 1030 1 7 . 1 1 31 31 LEU H H 31 9.349 9.349 8.153 1.196 17689 1031 1 7 . 1 1 32 32 SER N N 32 117.760 117.760 112.687 5.073 17689 1032 1 7 . 1 1 32 32 SER HA H 32 5.053 5.053 4.673 0.380 17689 1033 1 7 . 1 1 32 32 SER H H 32 8.993 8.993 8.477 0.516 17689 1034 1 7 . 1 1 33 33 LEU N N 33 122.480 122.480 121.664 0.816 17689 1035 1 7 . 1 1 33 33 LEU HA H 33 4.101 4.101 3.857 0.244 17689 1036 1 7 . 1 1 33 33 LEU H H 33 9.582 9.582 8.400 1.182 17689 1037 1 7 . 1 1 34 34 SER N N 34 113.790 113.790 114.975 -1.185 17689 1038 1 7 . 1 1 34 34 SER HA H 34 4.210 4.210 4.142 0.068 17689 1039 1 7 . 1 1 34 34 SER H H 34 8.324 8.324 7.934 0.390 17689 1040 1 7 . 1 1 35 35 ASP N N 35 121.960 121.960 122.679 -0.719 17689 1041 1 7 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.454 -0.011 17689 1042 1 7 . 1 1 35 35 ASP H H 35 7.938 7.938 7.451 0.487 17689 1043 1 7 . 1 1 36 36 PHE N N 36 122.350 122.350 121.866 0.484 17689 1044 1 7 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.091 0.009 17689 1045 1 7 . 1 1 36 36 PHE H H 36 8.649 8.649 8.432 0.217 17689 1046 1 7 . 1 1 37 37 GLU N N 37 120.010 120.010 119.365 0.645 17689 1047 1 7 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.815 -0.527 17689 1048 1 7 . 1 1 37 37 GLU H H 37 8.169 8.169 8.316 -0.147 17689 1049 1 7 . 1 1 38 38 VAL N N 38 119.850 119.850 119.935 -0.085 17689 1050 1 7 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.635 -0.073 17689 1051 1 7 . 1 1 38 38 VAL H H 38 7.404 7.404 7.815 -0.411 17689 1052 1 7 . 1 1 39 39 LEU N N 39 121.490 121.490 120.681 0.809 17689 1053 1 7 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.900 0.058 17689 1054 1 7 . 1 1 39 39 LEU H H 39 7.593 7.593 7.976 -0.383 17689 1055 1 7 . 1 1 40 40 TYR N N 40 120.440 120.440 119.505 0.935 17689 1056 1 7 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.191 -0.544 17689 1057 1 7 . 1 1 40 40 TYR H H 40 8.743 8.743 8.594 0.149 17689 1058 1 7 . 1 1 41 41 GLY N N 41 105.790 105.790 106.062 -0.272 17689 1059 1 7 . 1 1 41 41 GLY H H 41 7.678 7.678 7.471 0.207 17689 1060 1 7 . 1 1 42 42 ASN N N 42 116.630 116.630 118.317 -1.687 17689 1061 1 7 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.702 0.088 17689 1062 1 7 . 1 1 42 42 ASN H H 42 7.370 7.370 8.223 -0.853 17689 1063 1 7 . 1 1 43 43 THR N N 43 117.900 117.900 114.234 3.666 17689 1064 1 7 . 1 1 43 43 THR HA H 43 4.052 4.052 4.145 -0.093 17689 1065 1 7 . 1 1 43 43 THR H H 43 7.271 7.271 7.871 -0.600 17689 1066 1 7 . 1 1 44 44 ALA HA H 44 4.303 4.303 3.830 0.473 17689 1067 1 7 . 1 1 44 44 ALA H H 44 8.500 8.500 8.458 0.042 17689 1068 1 7 . 1 1 45 45 ASP N N 45 117.770 117.770 120.355 -2.585 17689 1069 1 7 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.586 0.291 17689 1070 1 7 . 1 1 45 45 ASP H H 45 7.403 7.403 8.029 -0.626 17689 1071 1 7 . 1 1 46 46 GLU N N 46 118.810 118.810 121.539 -2.729 17689 1072 1 7 . 1 1 46 46 GLU HA H 46 4.068 4.068 4.224 -0.156 17689 1073 1 7 . 1 1 46 46 GLU H H 46 7.704 7.704 8.308 -0.604 17689 1074 1 7 . 1 1 47 47 ILE HA H 47 3.890 3.890 4.028 -0.138 17689 1075 1 7 . 1 1 47 47 ILE H H 47 8.530 8.530 8.538 -0.008 17689 1076 1 7 . 1 1 48 48 ILE N N 48 129.130 129.130 129.024 0.106 17689 1077 1 7 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.277 0.045 17689 1078 1 7 . 1 1 48 48 ILE H H 48 9.177 9.177 8.996 0.181 17689 1079 1 7 . 1 1 49 49 LYS N N 49 115.080 115.080 119.087 -4.007 17689 1080 1 7 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.662 0.652 17689 1081 1 7 . 1 1 49 49 LYS H H 49 7.964 7.964 7.933 0.031 17689 1082 1 7 . 1 1 50 50 LEU N N 50 122.010 122.010 118.603 3.407 17689 1083 1 7 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.503 -0.290 17689 1084 1 7 . 1 1 50 50 LEU H H 50 9.012 9.012 8.240 0.772 17689 1085 1 7 . 1 1 51 51 ARG N N 51 127.740 127.740 120.308 7.432 17689 1086 1 7 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.669 0.542 17689 1087 1 7 . 1 1 51 51 ARG H H 51 9.503 9.503 9.036 0.467 17689 1088 1 7 . 1 1 52 52 LEU N N 52 124.920 124.920 125.940 -1.020 17689 1089 1 7 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.336 -0.163 17689 1090 1 7 . 1 1 52 52 LEU H H 52 8.658 8.658 8.414 0.244 17689 1091 1 7 . 1 1 53 53 ASP N N 53 124.020 124.020 124.449 -0.429 17689 1092 1 7 . 1 1 53 53 ASP HA H 53 5.448 5.448 4.848 0.600 17689 1093 1 7 . 1 1 53 53 ASP H H 53 8.773 8.773 8.828 -0.055 17689 1094 1 7 . 1 1 54 54 LYS N N 54 126.280 126.280 126.256 0.024 17689 1095 1 7 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.321 0.472 17689 1096 1 7 . 1 1 54 54 LYS H H 54 8.762 8.762 8.321 0.441 17689 1097 1 7 . 1 1 55 55 VAL N N 55 128.630 128.630 124.077 4.553 17689 1098 1 7 . 1 1 55 55 VAL HA H 55 3.900 3.900 3.818 0.082 17689 1099 1 7 . 1 1 55 55 VAL H H 55 8.630 8.630 7.932 0.698 17689 1100 1 8 . 1 1 2 2 VAL N N 2 122.900 122.900 121.194 1.706 17689 1101 1 8 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.074 0.089 17689 1102 1 8 . 1 1 2 2 VAL H H 2 8.565 8.565 8.468 0.097 17689 1103 1 8 . 1 1 3 3 GLN N N 3 123.880 123.880 119.430 4.450 17689 1104 1 8 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.211 0.109 17689 1105 1 8 . 1 1 3 3 GLN H H 3 8.473 8.473 7.746 0.727 17689 1106 1 8 . 1 1 4 4 ASN N N 4 119.910 119.910 120.671 -0.761 17689 1107 1 8 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.305 0.345 17689 1108 1 8 . 1 1 4 4 ASN H H 4 8.381 8.381 8.991 -0.610 17689 1109 1 8 . 1 1 5 5 ASP N N 5 119.700 119.700 118.262 1.438 17689 1110 1 8 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.813 -0.245 17689 1111 1 8 . 1 1 5 5 ASP H H 5 8.238 8.238 7.874 0.364 17689 1112 1 8 . 1 1 6 6 PHE N N 6 119.540 119.540 120.385 -0.845 17689 1113 1 8 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.852 -0.189 17689 1114 1 8 . 1 1 6 6 PHE H H 6 8.025 8.025 8.084 -0.059 17689 1115 1 8 . 1 1 7 7 VAL N N 7 120.550 120.550 120.955 -0.405 17689 1116 1 8 . 1 1 7 7 VAL HA H 7 4.158 4.158 4.240 -0.082 17689 1117 1 8 . 1 1 7 7 VAL H H 7 7.985 7.985 8.326 -0.341 17689 1118 1 8 . 1 1 8 8 ASP N N 8 123.470 123.470 126.561 -3.091 17689 1119 1 8 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.681 -0.058 17689 1120 1 8 . 1 1 8 8 ASP H H 8 8.205 8.205 8.451 -0.246 17689 1121 1 8 . 1 1 9 9 SER N N 9 116.500 116.500 112.849 3.651 17689 1122 1 8 . 1 1 9 9 SER HA H 9 4.785 4.785 4.653 0.132 17689 1123 1 8 . 1 1 9 9 SER H H 9 8.337 8.337 7.629 0.708 17689 1124 1 8 . 1 1 10 10 TYR N N 10 120.450 120.450 121.431 -0.981 17689 1125 1 8 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.390 0.663 17689 1126 1 8 . 1 1 10 10 TYR H H 10 9.584 9.584 8.209 1.375 17689 1127 1 8 . 1 1 11 11 ASP N N 11 121.160 121.160 124.541 -3.381 17689 1128 1 8 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.832 0.701 17689 1129 1 8 . 1 1 11 11 ASP H H 11 8.970 8.970 8.972 -0.002 17689 1130 1 8 . 1 1 12 12 VAL N N 12 123.530 123.530 126.864 -3.334 17689 1131 1 8 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.828 0.465 17689 1132 1 8 . 1 1 12 12 VAL H H 12 9.182 9.182 8.833 0.349 17689 1133 1 8 . 1 1 13 13 THR N N 13 124.760 124.760 123.591 1.169 17689 1134 1 8 . 1 1 13 13 THR HA H 13 5.139 5.139 4.558 0.581 17689 1135 1 8 . 1 1 13 13 THR H H 13 9.172 9.172 8.952 0.220 17689 1136 1 8 . 1 1 14 14 MET N N 14 124.600 124.600 124.509 0.091 17689 1137 1 8 . 1 1 14 14 MET HA H 14 5.216 5.216 5.185 0.031 17689 1138 1 8 . 1 1 14 14 MET H H 14 9.172 9.172 9.056 0.116 17689 1139 1 8 . 1 1 15 15 LEU N N 15 125.470 125.470 122.079 3.391 17689 1140 1 8 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.390 -0.949 17689 1141 1 8 . 1 1 15 15 LEU H H 15 8.934 8.934 8.955 -0.021 17689 1142 1 8 . 1 1 16 16 LEU N N 16 129.120 129.120 124.652 4.468 17689 1143 1 8 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.984 0.201 17689 1144 1 8 . 1 1 16 16 LEU H H 16 8.674 8.674 8.822 -0.148 17689 1145 1 8 . 1 1 17 17 GLN N N 17 118.200 118.200 119.311 -1.111 17689 1146 1 8 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.942 0.370 17689 1147 1 8 . 1 1 17 17 GLN H H 17 8.638 8.638 8.619 0.019 17689 1148 1 8 . 1 1 18 18 ASP N N 18 126.700 126.700 127.052 -0.352 17689 1149 1 8 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.916 -0.108 17689 1150 1 8 . 1 1 18 18 ASP H H 18 8.877 8.877 9.023 -0.146 17689 1151 1 8 . 1 1 19 19 ASP N N 19 117.840 117.840 123.963 -6.123 17689 1152 1 8 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.427 0.027 17689 1153 1 8 . 1 1 19 19 ASP H H 19 8.775 8.775 8.785 -0.010 17689 1154 1 8 . 1 1 20 20 ASP N N 20 118.400 118.400 119.228 -0.828 17689 1155 1 8 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.581 0.260 17689 1156 1 8 . 1 1 20 20 ASP H H 20 8.261 8.261 8.577 -0.316 17689 1157 1 8 . 1 1 21 21 GLY N N 21 108.270 108.270 107.917 0.353 17689 1158 1 8 . 1 1 21 21 GLY H H 21 8.188 8.188 8.298 -0.110 17689 1159 1 8 . 1 1 22 22 LYS N N 22 123.480 123.480 121.944 1.536 17689 1160 1 8 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.380 -0.075 17689 1161 1 8 . 1 1 22 22 LYS H H 22 8.433 8.433 8.095 0.338 17689 1162 1 8 . 1 1 23 23 GLN N N 23 122.260 122.260 126.227 -3.967 17689 1163 1 8 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.989 0.721 17689 1164 1 8 . 1 1 23 23 GLN H H 23 8.426 8.426 8.830 -0.404 17689 1165 1 8 . 1 1 24 24 TYR N N 24 120.420 120.420 121.725 -1.305 17689 1166 1 8 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.949 -0.045 17689 1167 1 8 . 1 1 24 24 TYR H H 24 8.927 8.927 9.017 -0.090 17689 1168 1 8 . 1 1 25 25 TYR N N 25 118.880 118.880 122.724 -3.844 17689 1169 1 8 . 1 1 25 25 TYR HA H 25 5.384 5.384 5.467 -0.083 17689 1170 1 8 . 1 1 25 25 TYR H H 25 8.654 8.654 8.733 -0.079 17689 1171 1 8 . 1 1 26 26 GLU N N 26 120.270 120.270 128.676 -8.406 17689 1172 1 8 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.535 0.085 17689 1173 1 8 . 1 1 26 26 GLU H H 26 9.067 9.067 8.825 0.242 17689 1174 1 8 . 1 1 27 27 TYR N N 27 123.610 123.610 125.090 -1.480 17689 1175 1 8 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.543 0.876 17689 1176 1 8 . 1 1 27 27 TYR H H 27 8.654 8.654 8.401 0.253 17689 1177 1 8 . 1 1 28 28 HIS N N 28 120.690 120.690 128.229 -7.539 17689 1178 1 8 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.916 -0.058 17689 1179 1 8 . 1 1 28 28 HIS H H 28 9.114 9.114 8.925 0.189 17689 1180 1 8 . 1 1 29 29 LYS N N 29 124.700 124.700 121.923 2.777 17689 1181 1 8 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.871 0.090 17689 1182 1 8 . 1 1 29 29 LYS H H 29 8.871 8.871 8.315 0.556 17689 1183 1 8 . 1 1 30 30 GLY N N 30 112.960 112.960 107.282 5.678 17689 1184 1 8 . 1 1 30 30 GLY H H 30 8.739 8.739 8.357 0.382 17689 1185 1 8 . 1 1 31 31 LEU N N 31 122.260 122.260 113.264 8.996 17689 1186 1 8 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.960 -0.178 17689 1187 1 8 . 1 1 31 31 LEU H H 31 9.349 9.349 7.545 1.804 17689 1188 1 8 . 1 1 32 32 SER N N 32 117.760 117.760 112.172 5.588 17689 1189 1 8 . 1 1 32 32 SER HA H 32 5.053 5.053 4.701 0.352 17689 1190 1 8 . 1 1 32 32 SER H H 32 8.993 8.993 8.078 0.915 17689 1191 1 8 . 1 1 33 33 LEU N N 33 122.480 122.480 122.180 0.300 17689 1192 1 8 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.085 0.016 17689 1193 1 8 . 1 1 33 33 LEU H H 33 9.582 9.582 8.510 1.072 17689 1194 1 8 . 1 1 34 34 SER N N 34 113.790 113.790 114.376 -0.586 17689 1195 1 8 . 1 1 34 34 SER HA H 34 4.210 4.210 4.145 0.065 17689 1196 1 8 . 1 1 34 34 SER H H 34 8.324 8.324 8.229 0.095 17689 1197 1 8 . 1 1 35 35 ASP N N 35 121.960 121.960 123.025 -1.065 17689 1198 1 8 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.549 -0.106 17689 1199 1 8 . 1 1 35 35 ASP H H 35 7.938 7.938 7.727 0.211 17689 1200 1 8 . 1 1 36 36 PHE N N 36 122.350 122.350 122.593 -0.243 17689 1201 1 8 . 1 1 36 36 PHE HA H 36 4.100 4.100 3.994 0.106 17689 1202 1 8 . 1 1 36 36 PHE H H 36 8.649 8.649 8.251 0.398 17689 1203 1 8 . 1 1 37 37 GLU N N 37 120.010 120.010 119.905 0.105 17689 1204 1 8 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.743 -0.455 17689 1205 1 8 . 1 1 37 37 GLU H H 37 8.169 8.169 8.396 -0.227 17689 1206 1 8 . 1 1 38 38 VAL N N 38 119.850 119.850 120.307 -0.457 17689 1207 1 8 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.574 -0.012 17689 1208 1 8 . 1 1 38 38 VAL H H 38 7.404 7.404 7.554 -0.150 17689 1209 1 8 . 1 1 39 39 LEU N N 39 121.490 121.490 120.824 0.666 17689 1210 1 8 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.843 0.115 17689 1211 1 8 . 1 1 39 39 LEU H H 39 7.593 7.593 7.762 -0.169 17689 1212 1 8 . 1 1 40 40 TYR N N 40 120.440 120.440 119.971 0.469 17689 1213 1 8 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.092 -0.445 17689 1214 1 8 . 1 1 40 40 TYR H H 40 8.743 8.743 8.541 0.202 17689 1215 1 8 . 1 1 41 41 GLY N N 41 105.790 105.790 105.810 -0.020 17689 1216 1 8 . 1 1 41 41 GLY H H 41 7.678 7.678 8.220 -0.542 17689 1217 1 8 . 1 1 42 42 ASN N N 42 116.630 116.630 119.678 -3.048 17689 1218 1 8 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.680 0.110 17689 1219 1 8 . 1 1 42 42 ASN H H 42 7.370 7.370 8.282 -0.912 17689 1220 1 8 . 1 1 43 43 THR N N 43 117.900 117.900 112.681 5.219 17689 1221 1 8 . 1 1 43 43 THR HA H 43 4.052 4.052 4.176 -0.124 17689 1222 1 8 . 1 1 43 43 THR H H 43 7.271 7.271 7.637 -0.366 17689 1223 1 8 . 1 1 44 44 ALA HA H 44 4.303 4.303 3.792 0.511 17689 1224 1 8 . 1 1 44 44 ALA H H 44 8.500 8.500 7.572 0.928 17689 1225 1 8 . 1 1 45 45 ASP N N 45 117.770 117.770 118.336 -0.566 17689 1226 1 8 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.634 0.243 17689 1227 1 8 . 1 1 45 45 ASP H H 45 7.403 7.403 8.034 -0.631 17689 1228 1 8 . 1 1 46 46 GLU N N 46 118.810 118.810 120.518 -1.708 17689 1229 1 8 . 1 1 46 46 GLU HA H 46 4.068 4.068 4.283 -0.215 17689 1230 1 8 . 1 1 46 46 GLU H H 46 7.704 7.704 8.265 -0.561 17689 1231 1 8 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.888 0.002 17689 1232 1 8 . 1 1 47 47 ILE H H 47 8.530 8.530 8.289 0.241 17689 1233 1 8 . 1 1 48 48 ILE N N 48 129.130 129.130 128.659 0.471 17689 1234 1 8 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.294 0.028 17689 1235 1 8 . 1 1 48 48 ILE H H 48 9.177 9.177 8.845 0.332 17689 1236 1 8 . 1 1 49 49 LYS N N 49 115.080 115.080 118.463 -3.383 17689 1237 1 8 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.705 0.609 17689 1238 1 8 . 1 1 49 49 LYS H H 49 7.964 7.964 8.046 -0.082 17689 1239 1 8 . 1 1 50 50 LEU N N 50 122.010 122.010 118.210 3.800 17689 1240 1 8 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.589 -0.376 17689 1241 1 8 . 1 1 50 50 LEU H H 50 9.012 9.012 8.358 0.654 17689 1242 1 8 . 1 1 51 51 ARG N N 51 127.740 127.740 120.559 7.181 17689 1243 1 8 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.760 0.451 17689 1244 1 8 . 1 1 51 51 ARG H H 51 9.503 9.503 9.007 0.496 17689 1245 1 8 . 1 1 52 52 LEU N N 52 124.920 124.920 124.777 0.143 17689 1246 1 8 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.258 -0.085 17689 1247 1 8 . 1 1 52 52 LEU H H 52 8.658 8.658 8.453 0.205 17689 1248 1 8 . 1 1 53 53 ASP N N 53 124.020 124.020 124.785 -0.765 17689 1249 1 8 . 1 1 53 53 ASP HA H 53 5.448 5.448 5.091 0.357 17689 1250 1 8 . 1 1 53 53 ASP H H 53 8.773 8.773 8.590 0.183 17689 1251 1 8 . 1 1 54 54 LYS N N 54 126.280 126.280 121.633 4.647 17689 1252 1 8 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.278 0.515 17689 1253 1 8 . 1 1 54 54 LYS H H 54 8.762 8.762 8.413 0.349 17689 1254 1 8 . 1 1 55 55 VAL N N 55 128.630 128.630 119.864 8.766 17689 1255 1 8 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.372 -0.472 17689 1256 1 8 . 1 1 55 55 VAL H H 55 8.630 8.630 7.822 0.808 17689 1257 1 9 . 1 1 2 2 VAL N N 2 122.900 122.900 117.674 5.226 17689 1258 1 9 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.011 0.152 17689 1259 1 9 . 1 1 2 2 VAL H H 2 8.565 8.565 8.002 0.563 17689 1260 1 9 . 1 1 3 3 GLN N N 3 123.880 123.880 123.036 0.844 17689 1261 1 9 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.181 0.139 17689 1262 1 9 . 1 1 3 3 GLN H H 3 8.473 8.473 8.714 -0.241 17689 1263 1 9 . 1 1 4 4 ASN N N 4 119.910 119.910 118.612 1.298 17689 1264 1 9 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.633 0.017 17689 1265 1 9 . 1 1 4 4 ASN H H 4 8.381 8.381 8.509 -0.128 17689 1266 1 9 . 1 1 5 5 ASP N N 5 119.700 119.700 119.293 0.407 17689 1267 1 9 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.559 0.009 17689 1268 1 9 . 1 1 5 5 ASP H H 5 8.238 8.238 7.724 0.514 17689 1269 1 9 . 1 1 6 6 PHE N N 6 119.540 119.540 120.054 -0.514 17689 1270 1 9 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.487 0.176 17689 1271 1 9 . 1 1 6 6 PHE H H 6 8.025 8.025 8.197 -0.172 17689 1272 1 9 . 1 1 7 7 VAL N N 7 120.550 120.550 123.001 -2.451 17689 1273 1 9 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.845 0.313 17689 1274 1 9 . 1 1 7 7 VAL H H 7 7.985 7.985 7.946 0.039 17689 1275 1 9 . 1 1 8 8 ASP N N 8 123.470 123.470 126.263 -2.793 17689 1276 1 9 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.781 -0.158 17689 1277 1 9 . 1 1 8 8 ASP H H 8 8.205 8.205 8.385 -0.180 17689 1278 1 9 . 1 1 9 9 SER N N 9 116.500 116.500 113.801 2.699 17689 1279 1 9 . 1 1 9 9 SER HA H 9 4.785 4.785 4.597 0.188 17689 1280 1 9 . 1 1 9 9 SER H H 9 8.337 8.337 8.109 0.228 17689 1281 1 9 . 1 1 10 10 TYR N N 10 120.450 120.450 120.310 0.140 17689 1282 1 9 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.531 0.522 17689 1283 1 9 . 1 1 10 10 TYR H H 10 9.584 9.584 8.446 1.138 17689 1284 1 9 . 1 1 11 11 ASP N N 11 121.160 121.160 121.725 -0.565 17689 1285 1 9 . 1 1 11 11 ASP HA H 11 5.533 5.533 5.028 0.505 17689 1286 1 9 . 1 1 11 11 ASP H H 11 8.970 8.970 8.607 0.363 17689 1287 1 9 . 1 1 12 12 VAL N N 12 123.530 123.530 126.116 -2.586 17689 1288 1 9 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.808 0.485 17689 1289 1 9 . 1 1 12 12 VAL H H 12 9.182 9.182 8.761 0.421 17689 1290 1 9 . 1 1 13 13 THR N N 13 124.760 124.760 125.502 -0.742 17689 1291 1 9 . 1 1 13 13 THR HA H 13 5.139 5.139 4.582 0.557 17689 1292 1 9 . 1 1 13 13 THR H H 13 9.172 9.172 8.934 0.238 17689 1293 1 9 . 1 1 14 14 MET N N 14 124.600 124.600 128.737 -4.137 17689 1294 1 9 . 1 1 14 14 MET HA H 14 5.216 5.216 5.317 -0.101 17689 1295 1 9 . 1 1 14 14 MET H H 14 9.172 9.172 8.888 0.284 17689 1296 1 9 . 1 1 15 15 LEU N N 15 125.470 125.470 126.187 -0.717 17689 1297 1 9 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.397 -0.956 17689 1298 1 9 . 1 1 15 15 LEU H H 15 8.934 8.934 9.090 -0.156 17689 1299 1 9 . 1 1 16 16 LEU N N 16 129.120 129.120 125.119 4.001 17689 1300 1 9 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.687 0.498 17689 1301 1 9 . 1 1 16 16 LEU H H 16 8.674 8.674 8.957 -0.283 17689 1302 1 9 . 1 1 17 17 GLN N N 17 118.200 118.200 118.792 -0.592 17689 1303 1 9 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.805 0.507 17689 1304 1 9 . 1 1 17 17 GLN H H 17 8.638 8.638 7.960 0.678 17689 1305 1 9 . 1 1 18 18 ASP N N 18 126.700 126.700 126.014 0.686 17689 1306 1 9 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.609 0.199 17689 1307 1 9 . 1 1 18 18 ASP H H 18 8.877 8.877 8.900 -0.023 17689 1308 1 9 . 1 1 19 19 ASP N N 19 117.840 117.840 122.262 -4.422 17689 1309 1 9 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.432 0.022 17689 1310 1 9 . 1 1 19 19 ASP H H 19 8.775 8.775 8.779 -0.004 17689 1311 1 9 . 1 1 20 20 ASP N N 20 118.400 118.400 119.446 -1.046 17689 1312 1 9 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.587 0.254 17689 1313 1 9 . 1 1 20 20 ASP H H 20 8.261 8.261 8.178 0.083 17689 1314 1 9 . 1 1 21 21 GLY N N 21 108.270 108.270 106.740 1.530 17689 1315 1 9 . 1 1 21 21 GLY H H 21 8.188 8.188 7.977 0.211 17689 1316 1 9 . 1 1 22 22 LYS N N 22 123.480 123.480 122.054 1.426 17689 1317 1 9 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.297 0.008 17689 1318 1 9 . 1 1 22 22 LYS H H 22 8.433 8.433 8.168 0.265 17689 1319 1 9 . 1 1 23 23 GLN N N 23 122.260 122.260 124.733 -2.473 17689 1320 1 9 . 1 1 23 23 GLN HA H 23 5.710 5.710 5.064 0.646 17689 1321 1 9 . 1 1 23 23 GLN H H 23 8.426 8.426 8.821 -0.395 17689 1322 1 9 . 1 1 24 24 TYR N N 24 120.420 120.420 121.700 -1.280 17689 1323 1 9 . 1 1 24 24 TYR HA H 24 4.904 4.904 5.004 -0.100 17689 1324 1 9 . 1 1 24 24 TYR H H 24 8.927 8.927 8.833 0.094 17689 1325 1 9 . 1 1 25 25 TYR N N 25 118.880 118.880 119.113 -0.233 17689 1326 1 9 . 1 1 25 25 TYR HA H 25 5.384 5.384 5.710 -0.326 17689 1327 1 9 . 1 1 25 25 TYR H H 25 8.654 8.654 8.730 -0.076 17689 1328 1 9 . 1 1 26 26 GLU N N 26 120.270 120.270 118.054 2.216 17689 1329 1 9 . 1 1 26 26 GLU HA H 26 4.620 4.620 3.950 0.670 17689 1330 1 9 . 1 1 26 26 GLU H H 26 9.067 9.067 8.612 0.455 17689 1331 1 9 . 1 1 27 27 TYR N N 27 123.610 123.610 120.467 3.143 17689 1332 1 9 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.479 0.940 17689 1333 1 9 . 1 1 27 27 TYR H H 27 8.654 8.654 8.740 -0.086 17689 1334 1 9 . 1 1 28 28 HIS N N 28 120.690 120.690 124.516 -3.826 17689 1335 1 9 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.690 0.168 17689 1336 1 9 . 1 1 28 28 HIS H H 28 9.114 9.114 8.893 0.221 17689 1337 1 9 . 1 1 29 29 LYS N N 29 124.700 124.700 121.841 2.859 17689 1338 1 9 . 1 1 29 29 LYS HA H 29 4.961 4.961 5.208 -0.247 17689 1339 1 9 . 1 1 29 29 LYS H H 29 8.871 8.871 7.808 1.063 17689 1340 1 9 . 1 1 30 30 GLY N N 30 112.960 112.960 108.573 4.387 17689 1341 1 9 . 1 1 30 30 GLY H H 30 8.739 8.739 8.302 0.437 17689 1342 1 9 . 1 1 31 31 LEU N N 31 122.260 122.260 113.012 9.248 17689 1343 1 9 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.915 -0.133 17689 1344 1 9 . 1 1 31 31 LEU H H 31 9.349 9.349 7.808 1.541 17689 1345 1 9 . 1 1 32 32 SER N N 32 117.760 117.760 113.352 4.408 17689 1346 1 9 . 1 1 32 32 SER HA H 32 5.053 5.053 4.755 0.298 17689 1347 1 9 . 1 1 32 32 SER H H 32 8.993 8.993 8.240 0.753 17689 1348 1 9 . 1 1 33 33 LEU N N 33 122.480 122.480 122.306 0.174 17689 1349 1 9 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.115 -0.014 17689 1350 1 9 . 1 1 33 33 LEU H H 33 9.582 9.582 8.454 1.128 17689 1351 1 9 . 1 1 34 34 SER N N 34 113.790 113.790 114.223 -0.433 17689 1352 1 9 . 1 1 34 34 SER HA H 34 4.210 4.210 4.214 -0.004 17689 1353 1 9 . 1 1 34 34 SER H H 34 8.324 8.324 7.997 0.327 17689 1354 1 9 . 1 1 35 35 ASP N N 35 121.960 121.960 122.505 -0.545 17689 1355 1 9 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.549 -0.106 17689 1356 1 9 . 1 1 35 35 ASP H H 35 7.938 7.938 7.472 0.466 17689 1357 1 9 . 1 1 36 36 PHE N N 36 122.350 122.350 122.828 -0.478 17689 1358 1 9 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.054 0.046 17689 1359 1 9 . 1 1 36 36 PHE H H 36 8.649 8.649 8.712 -0.063 17689 1360 1 9 . 1 1 37 37 GLU N N 37 120.010 120.010 118.853 1.157 17689 1361 1 9 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.593 -0.305 17689 1362 1 9 . 1 1 37 37 GLU H H 37 8.169 8.169 8.053 0.116 17689 1363 1 9 . 1 1 38 38 VAL N N 38 119.850 119.850 120.127 -0.277 17689 1364 1 9 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.608 -0.046 17689 1365 1 9 . 1 1 38 38 VAL H H 38 7.404 7.404 7.358 0.046 17689 1366 1 9 . 1 1 39 39 LEU N N 39 121.490 121.490 121.806 -0.316 17689 1367 1 9 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.896 0.062 17689 1368 1 9 . 1 1 39 39 LEU H H 39 7.593 7.593 8.133 -0.540 17689 1369 1 9 . 1 1 40 40 TYR N N 40 120.440 120.440 119.677 0.763 17689 1370 1 9 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.273 -0.626 17689 1371 1 9 . 1 1 40 40 TYR H H 40 8.743 8.743 8.809 -0.066 17689 1372 1 9 . 1 1 41 41 GLY N N 41 105.790 105.790 105.894 -0.104 17689 1373 1 9 . 1 1 41 41 GLY H H 41 7.678 7.678 7.679 -0.001 17689 1374 1 9 . 1 1 42 42 ASN N N 42 116.630 116.630 119.395 -2.765 17689 1375 1 9 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.726 0.064 17689 1376 1 9 . 1 1 42 42 ASN H H 42 7.370 7.370 8.260 -0.890 17689 1377 1 9 . 1 1 43 43 THR N N 43 117.900 117.900 111.739 6.161 17689 1378 1 9 . 1 1 43 43 THR HA H 43 4.052 4.052 4.332 -0.280 17689 1379 1 9 . 1 1 43 43 THR H H 43 7.271 7.271 7.885 -0.614 17689 1380 1 9 . 1 1 44 44 ALA HA H 44 4.303 4.303 3.832 0.471 17689 1381 1 9 . 1 1 44 44 ALA H H 44 8.500 8.500 7.810 0.690 17689 1382 1 9 . 1 1 45 45 ASP N N 45 117.770 117.770 119.591 -1.821 17689 1383 1 9 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.657 0.220 17689 1384 1 9 . 1 1 45 45 ASP H H 45 7.403 7.403 7.935 -0.532 17689 1385 1 9 . 1 1 46 46 GLU N N 46 118.810 118.810 116.228 2.582 17689 1386 1 9 . 1 1 46 46 GLU HA H 46 4.068 4.068 3.884 0.184 17689 1387 1 9 . 1 1 46 46 GLU H H 46 7.704 7.704 8.307 -0.603 17689 1388 1 9 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.784 0.106 17689 1389 1 9 . 1 1 47 47 ILE H H 47 8.530 8.530 7.850 0.680 17689 1390 1 9 . 1 1 48 48 ILE N N 48 129.130 129.130 123.420 5.710 17689 1391 1 9 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.230 0.092 17689 1392 1 9 . 1 1 48 48 ILE H H 48 9.177 9.177 8.904 0.273 17689 1393 1 9 . 1 1 49 49 LYS N N 49 115.080 115.080 118.591 -3.511 17689 1394 1 9 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.613 0.701 17689 1395 1 9 . 1 1 49 49 LYS H H 49 7.964 7.964 7.999 -0.035 17689 1396 1 9 . 1 1 50 50 LEU N N 50 122.010 122.010 122.727 -0.717 17689 1397 1 9 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.070 0.143 17689 1398 1 9 . 1 1 50 50 LEU H H 50 9.012 9.012 8.507 0.505 17689 1399 1 9 . 1 1 51 51 ARG N N 51 127.740 127.740 127.006 0.734 17689 1400 1 9 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.753 0.458 17689 1401 1 9 . 1 1 51 51 ARG H H 51 9.503 9.503 8.967 0.536 17689 1402 1 9 . 1 1 52 52 LEU N N 52 124.920 124.920 124.105 0.815 17689 1403 1 9 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.530 -0.357 17689 1404 1 9 . 1 1 52 52 LEU H H 52 8.658 8.658 8.346 0.312 17689 1405 1 9 . 1 1 53 53 ASP N N 53 124.020 124.020 123.419 0.601 17689 1406 1 9 . 1 1 53 53 ASP HA H 53 5.448 5.448 4.931 0.517 17689 1407 1 9 . 1 1 53 53 ASP H H 53 8.773 8.773 8.916 -0.143 17689 1408 1 9 . 1 1 54 54 LYS N N 54 126.280 126.280 124.729 1.551 17689 1409 1 9 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.110 0.683 17689 1410 1 9 . 1 1 54 54 LYS H H 54 8.762 8.762 8.477 0.285 17689 1411 1 9 . 1 1 55 55 VAL N N 55 128.630 128.630 113.780 14.850 17689 1412 1 9 . 1 1 55 55 VAL HA H 55 3.900 3.900 3.678 0.222 17689 1413 1 9 . 1 1 55 55 VAL H H 55 8.630 8.630 7.312 1.318 17689 1414 1 10 . 1 1 2 2 VAL N N 2 122.900 122.900 124.745 -1.845 17689 1415 1 10 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.108 0.055 17689 1416 1 10 . 1 1 2 2 VAL H H 2 8.565 8.565 8.283 0.282 17689 1417 1 10 . 1 1 3 3 GLN N N 3 123.880 123.880 126.369 -2.489 17689 1418 1 10 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.272 0.048 17689 1419 1 10 . 1 1 3 3 GLN H H 3 8.473 8.473 8.522 -0.049 17689 1420 1 10 . 1 1 4 4 ASN N N 4 119.910 119.910 122.387 -2.477 17689 1421 1 10 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.486 0.164 17689 1422 1 10 . 1 1 4 4 ASN H H 4 8.381 8.381 8.317 0.064 17689 1423 1 10 . 1 1 5 5 ASP N N 5 119.700 119.700 116.940 2.760 17689 1424 1 10 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.633 -0.065 17689 1425 1 10 . 1 1 5 5 ASP H H 5 8.238 8.238 7.830 0.408 17689 1426 1 10 . 1 1 6 6 PHE N N 6 119.540 119.540 118.697 0.843 17689 1427 1 10 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.288 0.375 17689 1428 1 10 . 1 1 6 6 PHE H H 6 8.025 8.025 8.063 -0.038 17689 1429 1 10 . 1 1 7 7 VAL N N 7 120.550 120.550 124.539 -3.989 17689 1430 1 10 . 1 1 7 7 VAL HA H 7 4.158 4.158 4.248 -0.090 17689 1431 1 10 . 1 1 7 7 VAL H H 7 7.985 7.985 8.176 -0.191 17689 1432 1 10 . 1 1 8 8 ASP N N 8 123.470 123.470 125.298 -1.828 17689 1433 1 10 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.276 0.347 17689 1434 1 10 . 1 1 8 8 ASP H H 8 8.205 8.205 8.747 -0.542 17689 1435 1 10 . 1 1 9 9 SER N N 9 116.500 116.500 112.497 4.003 17689 1436 1 10 . 1 1 9 9 SER HA H 9 4.785 4.785 4.671 0.114 17689 1437 1 10 . 1 1 9 9 SER H H 9 8.337 8.337 7.836 0.501 17689 1438 1 10 . 1 1 10 10 TYR N N 10 120.450 120.450 120.322 0.128 17689 1439 1 10 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.365 0.688 17689 1440 1 10 . 1 1 10 10 TYR H H 10 9.584 9.584 8.262 1.322 17689 1441 1 10 . 1 1 11 11 ASP N N 11 121.160 121.160 122.456 -1.296 17689 1442 1 10 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.850 0.683 17689 1443 1 10 . 1 1 11 11 ASP H H 11 8.970 8.970 8.683 0.287 17689 1444 1 10 . 1 1 12 12 VAL N N 12 123.530 123.530 125.412 -1.882 17689 1445 1 10 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.521 0.772 17689 1446 1 10 . 1 1 12 12 VAL H H 12 9.182 9.182 8.188 0.994 17689 1447 1 10 . 1 1 13 13 THR N N 13 124.760 124.760 125.205 -0.445 17689 1448 1 10 . 1 1 13 13 THR HA H 13 5.139 5.139 4.213 0.926 17689 1449 1 10 . 1 1 13 13 THR H H 13 9.172 9.172 9.163 0.009 17689 1450 1 10 . 1 1 14 14 MET N N 14 124.600 124.600 127.113 -2.513 17689 1451 1 10 . 1 1 14 14 MET HA H 14 5.216 5.216 5.237 -0.021 17689 1452 1 10 . 1 1 14 14 MET H H 14 9.172 9.172 8.961 0.211 17689 1453 1 10 . 1 1 15 15 LEU N N 15 125.470 125.470 124.364 1.106 17689 1454 1 10 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.375 -0.934 17689 1455 1 10 . 1 1 15 15 LEU H H 15 8.934 8.934 8.961 -0.027 17689 1456 1 10 . 1 1 16 16 LEU N N 16 129.120 129.120 123.750 5.370 17689 1457 1 10 . 1 1 16 16 LEU HA H 16 5.185 5.185 5.059 0.126 17689 1458 1 10 . 1 1 16 16 LEU H H 16 8.674 8.674 8.585 0.089 17689 1459 1 10 . 1 1 17 17 GLN N N 17 118.200 118.200 119.025 -0.825 17689 1460 1 10 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.542 0.770 17689 1461 1 10 . 1 1 17 17 GLN H H 17 8.638 8.638 8.622 0.016 17689 1462 1 10 . 1 1 18 18 ASP N N 18 126.700 126.700 121.671 5.029 17689 1463 1 10 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.922 -0.114 17689 1464 1 10 . 1 1 18 18 ASP H H 18 8.877 8.877 8.836 0.041 17689 1465 1 10 . 1 1 19 19 ASP N N 19 117.840 117.840 120.310 -2.470 17689 1466 1 10 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.343 0.112 17689 1467 1 10 . 1 1 19 19 ASP H H 19 8.775 8.775 8.768 0.007 17689 1468 1 10 . 1 1 20 20 ASP N N 20 118.400 118.400 117.911 0.489 17689 1469 1 10 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.554 0.287 17689 1470 1 10 . 1 1 20 20 ASP H H 20 8.261 8.261 8.234 0.027 17689 1471 1 10 . 1 1 21 21 GLY N N 21 108.270 108.270 105.841 2.429 17689 1472 1 10 . 1 1 21 21 GLY H H 21 8.188 8.188 7.950 0.238 17689 1473 1 10 . 1 1 22 22 LYS N N 22 123.480 123.480 119.434 4.046 17689 1474 1 10 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.640 -0.335 17689 1475 1 10 . 1 1 22 22 LYS H H 22 8.433 8.433 7.643 0.790 17689 1476 1 10 . 1 1 23 23 GLN N N 23 122.260 122.260 119.763 2.497 17689 1477 1 10 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.998 0.712 17689 1478 1 10 . 1 1 23 23 GLN H H 23 8.426 8.426 8.533 -0.107 17689 1479 1 10 . 1 1 24 24 TYR N N 24 120.420 120.420 121.550 -1.130 17689 1480 1 10 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.962 -0.058 17689 1481 1 10 . 1 1 24 24 TYR H H 24 8.927 8.927 9.343 -0.416 17689 1482 1 10 . 1 1 25 25 TYR N N 25 118.880 118.880 126.447 -7.567 17689 1483 1 10 . 1 1 25 25 TYR HA H 25 5.384 5.384 5.186 0.198 17689 1484 1 10 . 1 1 25 25 TYR H H 25 8.654 8.654 8.722 -0.068 17689 1485 1 10 . 1 1 26 26 GLU N N 26 120.270 120.270 123.982 -3.712 17689 1486 1 10 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.365 0.255 17689 1487 1 10 . 1 1 26 26 GLU H H 26 9.067 9.067 8.567 0.500 17689 1488 1 10 . 1 1 27 27 TYR N N 27 123.610 123.610 119.018 4.592 17689 1489 1 10 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.349 1.070 17689 1490 1 10 . 1 1 27 27 TYR H H 27 8.654 8.654 8.622 0.032 17689 1491 1 10 . 1 1 28 28 HIS N N 28 120.690 120.690 124.649 -3.959 17689 1492 1 10 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.887 -0.029 17689 1493 1 10 . 1 1 28 28 HIS H H 28 9.114 9.114 8.663 0.451 17689 1494 1 10 . 1 1 29 29 LYS N N 29 124.700 124.700 120.465 4.235 17689 1495 1 10 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.952 0.009 17689 1496 1 10 . 1 1 29 29 LYS H H 29 8.871 8.871 8.084 0.787 17689 1497 1 10 . 1 1 30 30 GLY N N 30 112.960 112.960 108.222 4.738 17689 1498 1 10 . 1 1 30 30 GLY H H 30 8.739 8.739 8.226 0.513 17689 1499 1 10 . 1 1 31 31 LEU N N 31 122.260 122.260 113.436 8.824 17689 1500 1 10 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.910 -0.128 17689 1501 1 10 . 1 1 31 31 LEU H H 31 9.349 9.349 7.779 1.570 17689 1502 1 10 . 1 1 32 32 SER N N 32 117.760 117.760 113.278 4.482 17689 1503 1 10 . 1 1 32 32 SER HA H 32 5.053 5.053 4.938 0.115 17689 1504 1 10 . 1 1 32 32 SER H H 32 8.993 8.993 8.703 0.290 17689 1505 1 10 . 1 1 33 33 LEU N N 33 122.480 122.480 122.648 -0.168 17689 1506 1 10 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.176 -0.075 17689 1507 1 10 . 1 1 33 33 LEU H H 33 9.582 9.582 8.639 0.943 17689 1508 1 10 . 1 1 34 34 SER N N 34 113.790 113.790 112.624 1.166 17689 1509 1 10 . 1 1 34 34 SER HA H 34 4.210 4.210 4.294 -0.084 17689 1510 1 10 . 1 1 34 34 SER H H 34 8.324 8.324 8.026 0.298 17689 1511 1 10 . 1 1 35 35 ASP N N 35 121.960 121.960 123.569 -1.609 17689 1512 1 10 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.528 -0.085 17689 1513 1 10 . 1 1 35 35 ASP H H 35 7.938 7.938 7.706 0.232 17689 1514 1 10 . 1 1 36 36 PHE N N 36 122.350 122.350 121.611 0.739 17689 1515 1 10 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.100 0.000 17689 1516 1 10 . 1 1 36 36 PHE H H 36 8.649 8.649 8.766 -0.117 17689 1517 1 10 . 1 1 37 37 GLU N N 37 120.010 120.010 118.607 1.403 17689 1518 1 10 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.650 -0.362 17689 1519 1 10 . 1 1 37 37 GLU H H 37 8.169 8.169 7.810 0.359 17689 1520 1 10 . 1 1 38 38 VAL N N 38 119.850 119.850 119.949 -0.099 17689 1521 1 10 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.663 -0.101 17689 1522 1 10 . 1 1 38 38 VAL H H 38 7.404 7.404 7.249 0.155 17689 1523 1 10 . 1 1 39 39 LEU N N 39 121.490 121.490 121.762 -0.272 17689 1524 1 10 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.924 0.034 17689 1525 1 10 . 1 1 39 39 LEU H H 39 7.593 7.593 7.804 -0.211 17689 1526 1 10 . 1 1 40 40 TYR N N 40 120.440 120.440 118.875 1.565 17689 1527 1 10 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.201 -0.554 17689 1528 1 10 . 1 1 40 40 TYR H H 40 8.743 8.743 8.587 0.156 17689 1529 1 10 . 1 1 41 41 GLY N N 41 105.790 105.790 106.198 -0.408 17689 1530 1 10 . 1 1 41 41 GLY H H 41 7.678 7.678 7.773 -0.095 17689 1531 1 10 . 1 1 42 42 ASN N N 42 116.630 116.630 117.733 -1.103 17689 1532 1 10 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.819 -0.029 17689 1533 1 10 . 1 1 42 42 ASN H H 42 7.370 7.370 8.267 -0.897 17689 1534 1 10 . 1 1 43 43 THR N N 43 117.900 117.900 114.358 3.542 17689 1535 1 10 . 1 1 43 43 THR HA H 43 4.052 4.052 4.722 -0.670 17689 1536 1 10 . 1 1 43 43 THR H H 43 7.271 7.271 8.128 -0.857 17689 1537 1 10 . 1 1 44 44 ALA HA H 44 4.303 4.303 4.190 0.113 17689 1538 1 10 . 1 1 44 44 ALA H H 44 8.500 8.500 8.025 0.475 17689 1539 1 10 . 1 1 45 45 ASP N N 45 117.770 117.770 118.816 -1.046 17689 1540 1 10 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.406 0.471 17689 1541 1 10 . 1 1 45 45 ASP H H 45 7.403 7.403 7.644 -0.241 17689 1542 1 10 . 1 1 46 46 GLU N N 46 118.810 118.810 117.807 1.003 17689 1543 1 10 . 1 1 46 46 GLU HA H 46 4.068 4.068 3.939 0.129 17689 1544 1 10 . 1 1 46 46 GLU H H 46 7.704 7.704 8.751 -1.047 17689 1545 1 10 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.813 0.077 17689 1546 1 10 . 1 1 47 47 ILE H H 47 8.530 8.530 7.738 0.792 17689 1547 1 10 . 1 1 48 48 ILE N N 48 129.130 129.130 124.460 4.670 17689 1548 1 10 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.433 -0.111 17689 1549 1 10 . 1 1 48 48 ILE H H 48 9.177 9.177 8.351 0.826 17689 1550 1 10 . 1 1 49 49 LYS N N 49 115.080 115.080 118.685 -3.605 17689 1551 1 10 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.701 0.613 17689 1552 1 10 . 1 1 49 49 LYS H H 49 7.964 7.964 8.017 -0.053 17689 1553 1 10 . 1 1 50 50 LEU N N 50 122.010 122.010 121.768 0.242 17689 1554 1 10 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.045 0.168 17689 1555 1 10 . 1 1 50 50 LEU H H 50 9.012 9.012 8.623 0.389 17689 1556 1 10 . 1 1 51 51 ARG N N 51 127.740 127.740 127.984 -0.244 17689 1557 1 10 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.715 0.496 17689 1558 1 10 . 1 1 51 51 ARG H H 51 9.503 9.503 9.106 0.397 17689 1559 1 10 . 1 1 52 52 LEU N N 52 124.920 124.920 126.508 -1.588 17689 1560 1 10 . 1 1 52 52 LEU HA H 52 5.173 5.173 4.954 0.219 17689 1561 1 10 . 1 1 52 52 LEU H H 52 8.658 8.658 8.510 0.148 17689 1562 1 10 . 1 1 53 53 ASP N N 53 124.020 124.020 125.534 -1.514 17689 1563 1 10 . 1 1 53 53 ASP HA H 53 5.448 5.448 4.907 0.541 17689 1564 1 10 . 1 1 53 53 ASP H H 53 8.773 8.773 8.770 0.003 17689 1565 1 10 . 1 1 54 54 LYS N N 54 126.280 126.280 124.312 1.968 17689 1566 1 10 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.592 0.201 17689 1567 1 10 . 1 1 54 54 LYS H H 54 8.762 8.762 8.204 0.558 17689 1568 1 10 . 1 1 55 55 VAL N N 55 128.630 128.630 120.302 8.328 17689 1569 1 10 . 1 1 55 55 VAL HA H 55 3.900 3.900 3.920 -0.020 17689 1570 1 10 . 1 1 55 55 VAL H H 55 8.630 8.630 7.830 0.800 17689 1571 1 11 . 1 1 2 2 VAL N N 2 122.900 122.900 124.000 -1.100 17689 1572 1 11 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.129 0.034 17689 1573 1 11 . 1 1 2 2 VAL H H 2 8.565 8.565 8.143 0.422 17689 1574 1 11 . 1 1 3 3 GLN N N 3 123.880 123.880 117.207 6.673 17689 1575 1 11 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.088 0.232 17689 1576 1 11 . 1 1 3 3 GLN H H 3 8.473 8.473 8.579 -0.105 17689 1577 1 11 . 1 1 4 4 ASN N N 4 119.910 119.910 118.602 1.308 17689 1578 1 11 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.531 0.119 17689 1579 1 11 . 1 1 4 4 ASN H H 4 8.381 8.381 8.690 -0.309 17689 1580 1 11 . 1 1 5 5 ASP N N 5 119.700 119.700 117.093 2.607 17689 1581 1 11 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.580 -0.012 17689 1582 1 11 . 1 1 5 5 ASP H H 5 8.238 8.238 8.160 0.078 17689 1583 1 11 . 1 1 6 6 PHE N N 6 119.540 119.540 117.134 2.406 17689 1584 1 11 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.029 0.634 17689 1585 1 11 . 1 1 6 6 PHE H H 6 8.025 8.025 7.811 0.214 17689 1586 1 11 . 1 1 7 7 VAL N N 7 120.550 120.550 117.723 2.827 17689 1587 1 11 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.953 0.205 17689 1588 1 11 . 1 1 7 7 VAL H H 7 7.985 7.985 7.877 0.108 17689 1589 1 11 . 1 1 8 8 ASP N N 8 123.470 123.470 120.218 3.252 17689 1590 1 11 . 1 1 8 8 ASP HA H 8 4.623 4.623 5.149 -0.526 17689 1591 1 11 . 1 1 8 8 ASP H H 8 8.205 8.205 8.318 -0.113 17689 1592 1 11 . 1 1 9 9 SER N N 9 116.500 116.500 113.388 3.112 17689 1593 1 11 . 1 1 9 9 SER HA H 9 4.785 4.785 4.207 0.578 17689 1594 1 11 . 1 1 9 9 SER H H 9 8.337 8.337 8.469 -0.132 17689 1595 1 11 . 1 1 10 10 TYR N N 10 120.450 120.450 119.342 1.108 17689 1596 1 11 . 1 1 10 10 TYR HA H 10 5.053 5.053 5.151 -0.098 17689 1597 1 11 . 1 1 10 10 TYR H H 10 9.584 9.584 8.265 1.319 17689 1598 1 11 . 1 1 11 11 ASP N N 11 121.160 121.160 118.743 2.417 17689 1599 1 11 . 1 1 11 11 ASP HA H 11 5.533 5.533 5.003 0.530 17689 1600 1 11 . 1 1 11 11 ASP H H 11 8.970 8.970 9.241 -0.271 17689 1601 1 11 . 1 1 12 12 VAL N N 12 123.530 123.530 127.212 -3.682 17689 1602 1 11 . 1 1 12 12 VAL HA H 12 5.293 5.293 5.083 0.210 17689 1603 1 11 . 1 1 12 12 VAL H H 12 9.182 9.182 9.221 -0.039 17689 1604 1 11 . 1 1 13 13 THR N N 13 124.760 124.760 124.934 -0.174 17689 1605 1 11 . 1 1 13 13 THR HA H 13 5.139 5.139 5.034 0.105 17689 1606 1 11 . 1 1 13 13 THR H H 13 9.172 9.172 9.307 -0.135 17689 1607 1 11 . 1 1 14 14 MET N N 14 124.600 124.600 127.350 -2.750 17689 1608 1 11 . 1 1 14 14 MET HA H 14 5.216 5.216 5.248 -0.032 17689 1609 1 11 . 1 1 14 14 MET H H 14 9.172 9.172 9.202 -0.030 17689 1610 1 11 . 1 1 15 15 LEU N N 15 125.470 125.470 125.584 -0.114 17689 1611 1 11 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.361 -0.920 17689 1612 1 11 . 1 1 15 15 LEU H H 15 8.934 8.934 9.082 -0.148 17689 1613 1 11 . 1 1 16 16 LEU N N 16 129.120 129.120 124.474 4.646 17689 1614 1 11 . 1 1 16 16 LEU HA H 16 5.185 5.185 5.101 0.084 17689 1615 1 11 . 1 1 16 16 LEU H H 16 8.674 8.674 8.283 0.391 17689 1616 1 11 . 1 1 17 17 GLN N N 17 118.200 118.200 120.271 -2.071 17689 1617 1 11 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.581 0.731 17689 1618 1 11 . 1 1 17 17 GLN H H 17 8.638 8.638 8.610 0.028 17689 1619 1 11 . 1 1 18 18 ASP N N 18 126.700 126.700 125.705 0.995 17689 1620 1 11 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.885 -0.077 17689 1621 1 11 . 1 1 18 18 ASP H H 18 8.877 8.877 8.731 0.146 17689 1622 1 11 . 1 1 19 19 ASP N N 19 117.840 117.840 119.205 -1.365 17689 1623 1 11 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.361 0.093 17689 1624 1 11 . 1 1 19 19 ASP H H 19 8.775 8.775 8.762 0.013 17689 1625 1 11 . 1 1 20 20 ASP N N 20 118.400 118.400 118.301 0.099 17689 1626 1 11 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.571 0.270 17689 1627 1 11 . 1 1 20 20 ASP H H 20 8.261 8.261 8.173 0.088 17689 1628 1 11 . 1 1 21 21 GLY N N 21 108.270 108.270 108.130 0.140 17689 1629 1 11 . 1 1 21 21 GLY H H 21 8.188 8.188 8.053 0.135 17689 1630 1 11 . 1 1 22 22 LYS N N 22 123.480 123.480 119.779 3.701 17689 1631 1 11 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.205 0.100 17689 1632 1 11 . 1 1 22 22 LYS H H 22 8.433 8.433 8.386 0.047 17689 1633 1 11 . 1 1 23 23 GLN N N 23 122.260 122.260 115.035 7.225 17689 1634 1 11 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.165 1.545 17689 1635 1 11 . 1 1 23 23 GLN H H 23 8.426 8.426 8.748 -0.322 17689 1636 1 11 . 1 1 24 24 TYR N N 24 120.420 120.420 117.227 3.193 17689 1637 1 11 . 1 1 24 24 TYR HA H 24 4.904 4.904 5.018 -0.114 17689 1638 1 11 . 1 1 24 24 TYR H H 24 8.927 8.927 8.973 -0.046 17689 1639 1 11 . 1 1 25 25 TYR N N 25 118.880 118.880 126.079 -7.199 17689 1640 1 11 . 1 1 25 25 TYR HA H 25 5.384 5.384 5.359 0.025 17689 1641 1 11 . 1 1 25 25 TYR H H 25 8.654 8.654 8.771 -0.117 17689 1642 1 11 . 1 1 26 26 GLU N N 26 120.270 120.270 127.466 -7.196 17689 1643 1 11 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.329 0.291 17689 1644 1 11 . 1 1 26 26 GLU H H 26 9.067 9.067 8.759 0.308 17689 1645 1 11 . 1 1 27 27 TYR N N 27 123.610 123.610 122.052 1.558 17689 1646 1 11 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.841 0.578 17689 1647 1 11 . 1 1 27 27 TYR H H 27 8.654 8.654 8.352 0.302 17689 1648 1 11 . 1 1 28 28 HIS N N 28 120.690 120.690 123.005 -2.315 17689 1649 1 11 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.931 -0.073 17689 1650 1 11 . 1 1 28 28 HIS H H 28 9.114 9.114 9.384 -0.270 17689 1651 1 11 . 1 1 29 29 LYS N N 29 124.700 124.700 122.411 2.289 17689 1652 1 11 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.830 0.131 17689 1653 1 11 . 1 1 29 29 LYS H H 29 8.871 8.871 8.311 0.560 17689 1654 1 11 . 1 1 30 30 GLY N N 30 112.960 112.960 107.958 5.002 17689 1655 1 11 . 1 1 30 30 GLY H H 30 8.739 8.739 8.526 0.213 17689 1656 1 11 . 1 1 31 31 LEU N N 31 122.260 122.260 113.804 8.456 17689 1657 1 11 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.877 -0.095 17689 1658 1 11 . 1 1 31 31 LEU H H 31 9.349 9.349 7.539 1.810 17689 1659 1 11 . 1 1 32 32 SER N N 32 117.760 117.760 114.050 3.710 17689 1660 1 11 . 1 1 32 32 SER HA H 32 5.053 5.053 5.033 0.020 17689 1661 1 11 . 1 1 32 32 SER H H 32 8.993 8.993 9.106 -0.113 17689 1662 1 11 . 1 1 33 33 LEU N N 33 122.480 122.480 122.168 0.312 17689 1663 1 11 . 1 1 33 33 LEU HA H 33 4.101 4.101 3.947 0.154 17689 1664 1 11 . 1 1 33 33 LEU H H 33 9.582 9.582 8.678 0.904 17689 1665 1 11 . 1 1 34 34 SER N N 34 113.790 113.790 114.174 -0.384 17689 1666 1 11 . 1 1 34 34 SER HA H 34 4.210 4.210 4.206 0.004 17689 1667 1 11 . 1 1 34 34 SER H H 34 8.324 8.324 8.072 0.252 17689 1668 1 11 . 1 1 35 35 ASP N N 35 121.960 121.960 122.232 -0.272 17689 1669 1 11 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.557 -0.114 17689 1670 1 11 . 1 1 35 35 ASP H H 35 7.938 7.938 7.395 0.543 17689 1671 1 11 . 1 1 36 36 PHE N N 36 122.350 122.350 122.106 0.244 17689 1672 1 11 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.056 0.044 17689 1673 1 11 . 1 1 36 36 PHE H H 36 8.649 8.649 8.789 -0.140 17689 1674 1 11 . 1 1 37 37 GLU N N 37 120.010 120.010 118.865 1.145 17689 1675 1 11 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.780 -0.492 17689 1676 1 11 . 1 1 37 37 GLU H H 37 8.169 8.169 8.466 -0.297 17689 1677 1 11 . 1 1 38 38 VAL N N 38 119.850 119.850 120.233 -0.383 17689 1678 1 11 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.599 -0.037 17689 1679 1 11 . 1 1 38 38 VAL H H 38 7.404 7.404 7.257 0.147 17689 1680 1 11 . 1 1 39 39 LEU N N 39 121.490 121.490 121.613 -0.123 17689 1681 1 11 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.932 0.026 17689 1682 1 11 . 1 1 39 39 LEU H H 39 7.593 7.593 7.966 -0.373 17689 1683 1 11 . 1 1 40 40 TYR N N 40 120.440 120.440 118.914 1.526 17689 1684 1 11 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.248 -0.601 17689 1685 1 11 . 1 1 40 40 TYR H H 40 8.743 8.743 8.536 0.207 17689 1686 1 11 . 1 1 41 41 GLY N N 41 105.790 105.790 105.018 0.772 17689 1687 1 11 . 1 1 41 41 GLY H H 41 7.678 7.678 7.676 0.002 17689 1688 1 11 . 1 1 42 42 ASN N N 42 116.630 116.630 117.204 -0.574 17689 1689 1 11 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.843 -0.053 17689 1690 1 11 . 1 1 42 42 ASN H H 42 7.370 7.370 8.223 -0.853 17689 1691 1 11 . 1 1 43 43 THR N N 43 117.900 117.900 115.743 2.157 17689 1692 1 11 . 1 1 43 43 THR HA H 43 4.052 4.052 4.194 -0.142 17689 1693 1 11 . 1 1 43 43 THR H H 43 7.271 7.271 7.732 -0.461 17689 1694 1 11 . 1 1 44 44 ALA HA H 44 4.303 4.303 3.939 0.364 17689 1695 1 11 . 1 1 44 44 ALA H H 44 8.500 8.500 8.288 0.212 17689 1696 1 11 . 1 1 45 45 ASP N N 45 117.770 117.770 118.998 -1.228 17689 1697 1 11 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.595 0.282 17689 1698 1 11 . 1 1 45 45 ASP H H 45 7.403 7.403 7.976 -0.573 17689 1699 1 11 . 1 1 46 46 GLU N N 46 118.810 118.810 121.972 -3.162 17689 1700 1 11 . 1 1 46 46 GLU HA H 46 4.068 4.068 4.307 -0.239 17689 1701 1 11 . 1 1 46 46 GLU H H 46 7.704 7.704 8.415 -0.711 17689 1702 1 11 . 1 1 47 47 ILE HA H 47 3.890 3.890 4.012 -0.122 17689 1703 1 11 . 1 1 47 47 ILE H H 47 8.530 8.530 8.576 -0.046 17689 1704 1 11 . 1 1 48 48 ILE N N 48 129.130 129.130 128.513 0.617 17689 1705 1 11 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.372 -0.050 17689 1706 1 11 . 1 1 48 48 ILE H H 48 9.177 9.177 8.944 0.233 17689 1707 1 11 . 1 1 49 49 LYS N N 49 115.080 115.080 118.294 -3.214 17689 1708 1 11 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.690 0.624 17689 1709 1 11 . 1 1 49 49 LYS H H 49 7.964 7.964 8.085 -0.121 17689 1710 1 11 . 1 1 50 50 LEU N N 50 122.010 122.010 121.970 0.040 17689 1711 1 11 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.032 0.181 17689 1712 1 11 . 1 1 50 50 LEU H H 50 9.012 9.012 8.616 0.396 17689 1713 1 11 . 1 1 51 51 ARG N N 51 127.740 127.740 125.044 2.696 17689 1714 1 11 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.855 0.356 17689 1715 1 11 . 1 1 51 51 ARG H H 51 9.503 9.503 9.047 0.456 17689 1716 1 11 . 1 1 52 52 LEU N N 52 124.920 124.920 124.863 0.057 17689 1717 1 11 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.352 -0.179 17689 1718 1 11 . 1 1 52 52 LEU H H 52 8.658 8.658 8.521 0.137 17689 1719 1 11 . 1 1 53 53 ASP N N 53 124.020 124.020 127.221 -3.201 17689 1720 1 11 . 1 1 53 53 ASP HA H 53 5.448 5.448 5.019 0.429 17689 1721 1 11 . 1 1 53 53 ASP H H 53 8.773 8.773 9.163 -0.390 17689 1722 1 11 . 1 1 54 54 LYS N N 54 126.280 126.280 125.250 1.030 17689 1723 1 11 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.248 0.545 17689 1724 1 11 . 1 1 54 54 LYS H H 54 8.762 8.762 8.631 0.131 17689 1725 1 11 . 1 1 55 55 VAL N N 55 128.630 128.630 124.568 4.062 17689 1726 1 11 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.182 -0.282 17689 1727 1 11 . 1 1 55 55 VAL H H 55 8.630 8.630 8.360 0.270 17689 1728 1 12 . 1 1 2 2 VAL N N 2 122.900 122.900 122.741 0.159 17689 1729 1 12 . 1 1 2 2 VAL HA H 2 4.163 4.163 3.870 0.293 17689 1730 1 12 . 1 1 2 2 VAL H H 2 8.565 8.565 8.649 -0.084 17689 1731 1 12 . 1 1 3 3 GLN N N 3 123.880 123.880 125.558 -1.678 17689 1732 1 12 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.362 -0.042 17689 1733 1 12 . 1 1 3 3 GLN H H 3 8.473 8.473 8.839 -0.366 17689 1734 1 12 . 1 1 4 4 ASN N N 4 119.910 119.910 117.038 2.872 17689 1735 1 12 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.747 -0.097 17689 1736 1 12 . 1 1 4 4 ASN H H 4 8.381 8.381 8.075 0.306 17689 1737 1 12 . 1 1 5 5 ASP N N 5 119.700 119.700 119.555 0.145 17689 1738 1 12 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.656 -0.088 17689 1739 1 12 . 1 1 5 5 ASP H H 5 8.238 8.238 8.195 0.043 17689 1740 1 12 . 1 1 6 6 PHE N N 6 119.540 119.540 118.673 0.867 17689 1741 1 12 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.811 -0.148 17689 1742 1 12 . 1 1 6 6 PHE H H 6 8.025 8.025 7.988 0.037 17689 1743 1 12 . 1 1 7 7 VAL N N 7 120.550 120.550 122.012 -1.462 17689 1744 1 12 . 1 1 7 7 VAL HA H 7 4.158 4.158 4.054 0.104 17689 1745 1 12 . 1 1 7 7 VAL H H 7 7.985 7.985 7.875 0.110 17689 1746 1 12 . 1 1 8 8 ASP N N 8 123.470 123.470 124.306 -0.836 17689 1747 1 12 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.476 0.147 17689 1748 1 12 . 1 1 8 8 ASP H H 8 8.205 8.205 8.518 -0.313 17689 1749 1 12 . 1 1 9 9 SER N N 9 116.500 116.500 116.372 0.128 17689 1750 1 12 . 1 1 9 9 SER HA H 9 4.785 4.785 4.570 0.215 17689 1751 1 12 . 1 1 9 9 SER H H 9 8.337 8.337 8.351 -0.014 17689 1752 1 12 . 1 1 10 10 TYR N N 10 120.450 120.450 119.454 0.996 17689 1753 1 12 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.998 0.055 17689 1754 1 12 . 1 1 10 10 TYR H H 10 9.584 9.584 9.023 0.561 17689 1755 1 12 . 1 1 11 11 ASP N N 11 121.160 121.160 120.038 1.122 17689 1756 1 12 . 1 1 11 11 ASP HA H 11 5.533 5.533 5.234 0.299 17689 1757 1 12 . 1 1 11 11 ASP H H 11 8.970 8.970 9.279 -0.309 17689 1758 1 12 . 1 1 12 12 VAL N N 12 123.530 123.530 127.085 -3.555 17689 1759 1 12 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.559 0.734 17689 1760 1 12 . 1 1 12 12 VAL H H 12 9.182 9.182 9.410 -0.228 17689 1761 1 12 . 1 1 13 13 THR N N 13 124.760 124.760 125.101 -0.341 17689 1762 1 12 . 1 1 13 13 THR HA H 13 5.139 5.139 4.884 0.255 17689 1763 1 12 . 1 1 13 13 THR H H 13 9.172 9.172 9.099 0.073 17689 1764 1 12 . 1 1 14 14 MET N N 14 124.600 124.600 127.362 -2.762 17689 1765 1 12 . 1 1 14 14 MET HA H 14 5.216 5.216 5.321 -0.105 17689 1766 1 12 . 1 1 14 14 MET H H 14 9.172 9.172 9.059 0.113 17689 1767 1 12 . 1 1 15 15 LEU N N 15 125.470 125.470 118.138 7.332 17689 1768 1 12 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.051 -0.610 17689 1769 1 12 . 1 1 15 15 LEU H H 15 8.934 8.934 8.999 -0.065 17689 1770 1 12 . 1 1 16 16 LEU N N 16 129.120 129.120 118.015 11.105 17689 1771 1 12 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.910 0.275 17689 1772 1 12 . 1 1 16 16 LEU H H 16 8.674 8.674 8.575 0.099 17689 1773 1 12 . 1 1 17 17 GLN N N 17 118.200 118.200 118.650 -0.450 17689 1774 1 12 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.904 0.408 17689 1775 1 12 . 1 1 17 17 GLN H H 17 8.638 8.638 8.354 0.284 17689 1776 1 12 . 1 1 18 18 ASP N N 18 126.700 126.700 126.773 -0.073 17689 1777 1 12 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.860 -0.052 17689 1778 1 12 . 1 1 18 18 ASP H H 18 8.877 8.877 9.078 -0.201 17689 1779 1 12 . 1 1 19 19 ASP N N 19 117.840 117.840 122.953 -5.113 17689 1780 1 12 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.430 0.024 17689 1781 1 12 . 1 1 19 19 ASP H H 19 8.775 8.775 8.747 0.028 17689 1782 1 12 . 1 1 20 20 ASP N N 20 118.400 118.400 117.830 0.570 17689 1783 1 12 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.633 0.208 17689 1784 1 12 . 1 1 20 20 ASP H H 20 8.261 8.261 8.342 -0.081 17689 1785 1 12 . 1 1 21 21 GLY N N 21 108.270 108.270 108.052 0.218 17689 1786 1 12 . 1 1 21 21 GLY H H 21 8.188 8.188 8.109 0.079 17689 1787 1 12 . 1 1 22 22 LYS N N 22 123.480 123.480 118.634 4.846 17689 1788 1 12 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.562 -0.257 17689 1789 1 12 . 1 1 22 22 LYS H H 22 8.433 8.433 7.889 0.544 17689 1790 1 12 . 1 1 23 23 GLN N N 23 122.260 122.260 121.730 0.530 17689 1791 1 12 . 1 1 23 23 GLN HA H 23 5.710 5.710 5.198 0.512 17689 1792 1 12 . 1 1 23 23 GLN H H 23 8.426 8.426 8.598 -0.172 17689 1793 1 12 . 1 1 24 24 TYR N N 24 120.420 120.420 118.735 1.685 17689 1794 1 12 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.913 -0.009 17689 1795 1 12 . 1 1 24 24 TYR H H 24 8.927 8.927 8.725 0.202 17689 1796 1 12 . 1 1 25 25 TYR N N 25 118.880 118.880 121.603 -2.723 17689 1797 1 12 . 1 1 25 25 TYR HA H 25 5.384 5.384 4.820 0.564 17689 1798 1 12 . 1 1 25 25 TYR H H 25 8.654 8.654 8.810 -0.156 17689 1799 1 12 . 1 1 26 26 GLU N N 26 120.270 120.270 123.749 -3.479 17689 1800 1 12 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.757 -0.137 17689 1801 1 12 . 1 1 26 26 GLU H H 26 9.067 9.067 9.142 -0.075 17689 1802 1 12 . 1 1 27 27 TYR N N 27 123.610 123.610 124.239 -0.629 17689 1803 1 12 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.798 0.621 17689 1804 1 12 . 1 1 27 27 TYR H H 27 8.654 8.654 8.235 0.419 17689 1805 1 12 . 1 1 28 28 HIS N N 28 120.690 120.690 127.113 -6.423 17689 1806 1 12 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.682 0.176 17689 1807 1 12 . 1 1 28 28 HIS H H 28 9.114 9.114 9.232 -0.118 17689 1808 1 12 . 1 1 29 29 LYS N N 29 124.700 124.700 119.342 5.358 17689 1809 1 12 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.734 0.227 17689 1810 1 12 . 1 1 29 29 LYS H H 29 8.871 8.871 8.344 0.527 17689 1811 1 12 . 1 1 30 30 GLY N N 30 112.960 112.960 108.768 4.192 17689 1812 1 12 . 1 1 30 30 GLY H H 30 8.739 8.739 8.244 0.495 17689 1813 1 12 . 1 1 31 31 LEU N N 31 122.260 122.260 113.097 9.163 17689 1814 1 12 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.959 -0.177 17689 1815 1 12 . 1 1 31 31 LEU H H 31 9.349 9.349 7.744 1.605 17689 1816 1 12 . 1 1 32 32 SER N N 32 117.760 117.760 113.170 4.590 17689 1817 1 12 . 1 1 32 32 SER HA H 32 5.053 5.053 4.983 0.070 17689 1818 1 12 . 1 1 32 32 SER H H 32 8.993 8.993 9.249 -0.256 17689 1819 1 12 . 1 1 33 33 LEU N N 33 122.480 122.480 121.760 0.720 17689 1820 1 12 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.140 -0.039 17689 1821 1 12 . 1 1 33 33 LEU H H 33 9.582 9.582 8.663 0.919 17689 1822 1 12 . 1 1 34 34 SER N N 34 113.790 113.790 113.971 -0.181 17689 1823 1 12 . 1 1 34 34 SER HA H 34 4.210 4.210 4.262 -0.052 17689 1824 1 12 . 1 1 34 34 SER H H 34 8.324 8.324 8.055 0.269 17689 1825 1 12 . 1 1 35 35 ASP N N 35 121.960 121.960 122.589 -0.629 17689 1826 1 12 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.632 -0.189 17689 1827 1 12 . 1 1 35 35 ASP H H 35 7.938 7.938 7.683 0.255 17689 1828 1 12 . 1 1 36 36 PHE N N 36 122.350 122.350 122.869 -0.519 17689 1829 1 12 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.070 0.030 17689 1830 1 12 . 1 1 36 36 PHE H H 36 8.649 8.649 8.716 -0.067 17689 1831 1 12 . 1 1 37 37 GLU N N 37 120.010 120.010 119.331 0.679 17689 1832 1 12 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.770 -0.482 17689 1833 1 12 . 1 1 37 37 GLU H H 37 8.169 8.169 8.446 -0.277 17689 1834 1 12 . 1 1 38 38 VAL N N 38 119.850 119.850 119.422 0.428 17689 1835 1 12 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.634 -0.072 17689 1836 1 12 . 1 1 38 38 VAL H H 38 7.404 7.404 7.230 0.174 17689 1837 1 12 . 1 1 39 39 LEU N N 39 121.490 121.490 121.647 -0.157 17689 1838 1 12 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.953 0.005 17689 1839 1 12 . 1 1 39 39 LEU H H 39 7.593 7.593 8.000 -0.407 17689 1840 1 12 . 1 1 40 40 TYR N N 40 120.440 120.440 119.315 1.125 17689 1841 1 12 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.150 -0.503 17689 1842 1 12 . 1 1 40 40 TYR H H 40 8.743 8.743 8.624 0.119 17689 1843 1 12 . 1 1 41 41 GLY N N 41 105.790 105.790 105.652 0.138 17689 1844 1 12 . 1 1 41 41 GLY H H 41 7.678 7.678 7.935 -0.257 17689 1845 1 12 . 1 1 42 42 ASN N N 42 116.630 116.630 117.652 -1.022 17689 1846 1 12 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.796 -0.006 17689 1847 1 12 . 1 1 42 42 ASN H H 42 7.370 7.370 8.094 -0.724 17689 1848 1 12 . 1 1 43 43 THR N N 43 117.900 117.900 114.115 3.785 17689 1849 1 12 . 1 1 43 43 THR HA H 43 4.052 4.052 4.556 -0.504 17689 1850 1 12 . 1 1 43 43 THR H H 43 7.271 7.271 8.274 -1.003 17689 1851 1 12 . 1 1 44 44 ALA HA H 44 4.303 4.303 4.281 0.022 17689 1852 1 12 . 1 1 44 44 ALA H H 44 8.500 8.500 7.756 0.744 17689 1853 1 12 . 1 1 45 45 ASP N N 45 117.770 117.770 121.278 -3.508 17689 1854 1 12 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.378 0.499 17689 1855 1 12 . 1 1 45 45 ASP H H 45 7.403 7.403 8.266 -0.863 17689 1856 1 12 . 1 1 46 46 GLU N N 46 118.810 118.810 119.061 -0.251 17689 1857 1 12 . 1 1 46 46 GLU HA H 46 4.068 4.068 4.625 -0.557 17689 1858 1 12 . 1 1 46 46 GLU H H 46 7.704 7.704 8.567 -0.863 17689 1859 1 12 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.914 -0.024 17689 1860 1 12 . 1 1 47 47 ILE H H 47 8.530 8.530 8.567 -0.037 17689 1861 1 12 . 1 1 48 48 ILE N N 48 129.130 129.130 126.636 2.494 17689 1862 1 12 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.388 -0.066 17689 1863 1 12 . 1 1 48 48 ILE H H 48 9.177 9.177 8.432 0.745 17689 1864 1 12 . 1 1 49 49 LYS N N 49 115.080 115.080 118.846 -3.766 17689 1865 1 12 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.628 0.686 17689 1866 1 12 . 1 1 49 49 LYS H H 49 7.964 7.964 7.746 0.218 17689 1867 1 12 . 1 1 50 50 LEU N N 50 122.010 122.010 121.665 0.345 17689 1868 1 12 . 1 1 50 50 LEU HA H 50 5.213 5.213 4.789 0.424 17689 1869 1 12 . 1 1 50 50 LEU H H 50 9.012 9.012 8.603 0.409 17689 1870 1 12 . 1 1 51 51 ARG N N 51 127.740 127.740 127.915 -0.175 17689 1871 1 12 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.707 0.504 17689 1872 1 12 . 1 1 51 51 ARG H H 51 9.503 9.503 8.933 0.570 17689 1873 1 12 . 1 1 52 52 LEU N N 52 124.920 124.920 126.932 -2.012 17689 1874 1 12 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.097 0.076 17689 1875 1 12 . 1 1 52 52 LEU H H 52 8.658 8.658 8.447 0.211 17689 1876 1 12 . 1 1 53 53 ASP N N 53 124.020 124.020 126.373 -2.353 17689 1877 1 12 . 1 1 53 53 ASP HA H 53 5.448 5.448 4.898 0.550 17689 1878 1 12 . 1 1 53 53 ASP H H 53 8.773 8.773 9.162 -0.389 17689 1879 1 12 . 1 1 54 54 LYS N N 54 126.280 126.280 127.047 -0.767 17689 1880 1 12 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.480 0.313 17689 1881 1 12 . 1 1 54 54 LYS H H 54 8.762 8.762 8.517 0.245 17689 1882 1 12 . 1 1 55 55 VAL N N 55 128.630 128.630 126.498 2.132 17689 1883 1 12 . 1 1 55 55 VAL HA H 55 3.900 3.900 3.834 0.066 17689 1884 1 12 . 1 1 55 55 VAL H H 55 8.630 8.630 8.167 0.463 17689 1885 1 13 . 1 1 2 2 VAL N N 2 122.900 122.900 122.782 0.118 17689 1886 1 13 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.039 0.124 17689 1887 1 13 . 1 1 2 2 VAL H H 2 8.565 8.565 8.052 0.513 17689 1888 1 13 . 1 1 3 3 GLN N N 3 123.880 123.880 127.862 -3.982 17689 1889 1 13 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.488 -0.168 17689 1890 1 13 . 1 1 3 3 GLN H H 3 8.473 8.473 8.625 -0.152 17689 1891 1 13 . 1 1 4 4 ASN N N 4 119.910 119.910 123.504 -3.594 17689 1892 1 13 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.745 -0.095 17689 1893 1 13 . 1 1 4 4 ASN H H 4 8.381 8.381 7.888 0.493 17689 1894 1 13 . 1 1 5 5 ASP N N 5 119.700 119.700 119.185 0.515 17689 1895 1 13 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.628 -0.060 17689 1896 1 13 . 1 1 5 5 ASP H H 5 8.238 8.238 8.157 0.081 17689 1897 1 13 . 1 1 6 6 PHE N N 6 119.540 119.540 116.574 2.966 17689 1898 1 13 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.055 0.608 17689 1899 1 13 . 1 1 6 6 PHE H H 6 8.025 8.025 7.697 0.328 17689 1900 1 13 . 1 1 7 7 VAL N N 7 120.550 120.550 119.581 0.969 17689 1901 1 13 . 1 1 7 7 VAL HA H 7 4.158 4.158 4.026 0.132 17689 1902 1 13 . 1 1 7 7 VAL H H 7 7.985 7.985 7.635 0.350 17689 1903 1 13 . 1 1 8 8 ASP N N 8 123.470 123.470 122.461 1.009 17689 1904 1 13 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.458 0.165 17689 1905 1 13 . 1 1 8 8 ASP H H 8 8.205 8.205 8.529 -0.324 17689 1906 1 13 . 1 1 9 9 SER N N 9 116.500 116.500 114.302 2.198 17689 1907 1 13 . 1 1 9 9 SER HA H 9 4.785 4.785 4.471 0.314 17689 1908 1 13 . 1 1 9 9 SER H H 9 8.337 8.337 7.933 0.404 17689 1909 1 13 . 1 1 10 10 TYR N N 10 120.450 120.450 119.541 0.909 17689 1910 1 13 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.973 0.080 17689 1911 1 13 . 1 1 10 10 TYR H H 10 9.584 9.584 8.950 0.634 17689 1912 1 13 . 1 1 11 11 ASP N N 11 121.160 121.160 121.694 -0.534 17689 1913 1 13 . 1 1 11 11 ASP HA H 11 5.533 5.533 5.242 0.291 17689 1914 1 13 . 1 1 11 11 ASP H H 11 8.970 8.970 9.310 -0.340 17689 1915 1 13 . 1 1 12 12 VAL N N 12 123.530 123.530 128.261 -4.731 17689 1916 1 13 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.850 0.443 17689 1917 1 13 . 1 1 12 12 VAL H H 12 9.182 9.182 8.949 0.233 17689 1918 1 13 . 1 1 13 13 THR N N 13 124.760 124.760 124.897 -0.137 17689 1919 1 13 . 1 1 13 13 THR HA H 13 5.139 5.139 4.703 0.436 17689 1920 1 13 . 1 1 13 13 THR H H 13 9.172 9.172 9.126 0.046 17689 1921 1 13 . 1 1 14 14 MET N N 14 124.600 124.600 127.415 -2.815 17689 1922 1 13 . 1 1 14 14 MET HA H 14 5.216 5.216 5.105 0.111 17689 1923 1 13 . 1 1 14 14 MET H H 14 9.172 9.172 9.156 0.016 17689 1924 1 13 . 1 1 15 15 LEU N N 15 125.470 125.470 123.206 2.264 17689 1925 1 13 . 1 1 15 15 LEU HA H 15 4.441 4.441 4.888 -0.447 17689 1926 1 13 . 1 1 15 15 LEU H H 15 8.934 8.934 8.782 0.152 17689 1927 1 13 . 1 1 16 16 LEU N N 16 129.120 129.120 122.901 6.219 17689 1928 1 13 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.994 0.191 17689 1929 1 13 . 1 1 16 16 LEU H H 16 8.674 8.674 8.697 -0.023 17689 1930 1 13 . 1 1 17 17 GLN N N 17 118.200 118.200 117.956 0.244 17689 1931 1 13 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.730 0.582 17689 1932 1 13 . 1 1 17 17 GLN H H 17 8.638 8.638 8.196 0.442 17689 1933 1 13 . 1 1 18 18 ASP N N 18 126.700 126.700 125.805 0.895 17689 1934 1 13 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.827 -0.019 17689 1935 1 13 . 1 1 18 18 ASP H H 18 8.877 8.877 9.055 -0.178 17689 1936 1 13 . 1 1 19 19 ASP N N 19 117.840 117.840 122.590 -4.750 17689 1937 1 13 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.421 0.033 17689 1938 1 13 . 1 1 19 19 ASP H H 19 8.775 8.775 8.736 0.039 17689 1939 1 13 . 1 1 20 20 ASP N N 20 118.400 118.400 117.898 0.502 17689 1940 1 13 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.627 0.214 17689 1941 1 13 . 1 1 20 20 ASP H H 20 8.261 8.261 7.931 0.330 17689 1942 1 13 . 1 1 21 21 GLY N N 21 108.270 108.270 107.547 0.723 17689 1943 1 13 . 1 1 21 21 GLY H H 21 8.188 8.188 7.992 0.196 17689 1944 1 13 . 1 1 22 22 LYS N N 22 123.480 123.480 122.086 1.394 17689 1945 1 13 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.206 0.099 17689 1946 1 13 . 1 1 22 22 LYS H H 22 8.433 8.433 8.165 0.268 17689 1947 1 13 . 1 1 23 23 GLN N N 23 122.260 122.260 124.098 -1.838 17689 1948 1 13 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.929 0.781 17689 1949 1 13 . 1 1 23 23 GLN H H 23 8.426 8.426 8.743 -0.317 17689 1950 1 13 . 1 1 24 24 TYR N N 24 120.420 120.420 120.197 0.223 17689 1951 1 13 . 1 1 24 24 TYR HA H 24 4.904 4.904 5.000 -0.096 17689 1952 1 13 . 1 1 24 24 TYR H H 24 8.927 8.927 8.681 0.246 17689 1953 1 13 . 1 1 25 25 TYR N N 25 118.880 118.880 121.505 -2.625 17689 1954 1 13 . 1 1 25 25 TYR HA H 25 5.384 5.384 4.903 0.481 17689 1955 1 13 . 1 1 25 25 TYR H H 25 8.654 8.654 8.951 -0.297 17689 1956 1 13 . 1 1 26 26 GLU N N 26 120.270 120.270 122.578 -2.308 17689 1957 1 13 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.785 -0.165 17689 1958 1 13 . 1 1 26 26 GLU H H 26 9.067 9.067 9.056 0.011 17689 1959 1 13 . 1 1 27 27 TYR N N 27 123.610 123.610 122.241 1.369 17689 1960 1 13 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.435 0.984 17689 1961 1 13 . 1 1 27 27 TYR H H 27 8.654 8.654 8.698 -0.044 17689 1962 1 13 . 1 1 28 28 HIS N N 28 120.690 120.690 123.987 -3.297 17689 1963 1 13 . 1 1 28 28 HIS HA H 28 4.858 4.858 5.009 -0.151 17689 1964 1 13 . 1 1 28 28 HIS H H 28 9.114 9.114 8.571 0.543 17689 1965 1 13 . 1 1 29 29 LYS N N 29 124.700 124.700 124.877 -0.177 17689 1966 1 13 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.486 0.475 17689 1967 1 13 . 1 1 29 29 LYS H H 29 8.871 8.871 8.511 0.360 17689 1968 1 13 . 1 1 30 30 GLY N N 30 112.960 112.960 106.743 6.217 17689 1969 1 13 . 1 1 30 30 GLY H H 30 8.739 8.739 8.021 0.718 17689 1970 1 13 . 1 1 31 31 LEU N N 31 122.260 122.260 115.432 6.828 17689 1971 1 13 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.987 -0.205 17689 1972 1 13 . 1 1 31 31 LEU H H 31 9.349 9.349 8.293 1.056 17689 1973 1 13 . 1 1 32 32 SER N N 32 117.760 117.760 114.304 3.456 17689 1974 1 13 . 1 1 32 32 SER HA H 32 5.053 5.053 5.047 0.006 17689 1975 1 13 . 1 1 32 32 SER H H 32 8.993 8.993 8.386 0.607 17689 1976 1 13 . 1 1 33 33 LEU N N 33 122.480 122.480 121.614 0.866 17689 1977 1 13 . 1 1 33 33 LEU HA H 33 4.101 4.101 3.997 0.104 17689 1978 1 13 . 1 1 33 33 LEU H H 33 9.582 9.582 8.755 0.827 17689 1979 1 13 . 1 1 34 34 SER N N 34 113.790 113.790 114.841 -1.051 17689 1980 1 13 . 1 1 34 34 SER HA H 34 4.210 4.210 4.192 0.018 17689 1981 1 13 . 1 1 34 34 SER H H 34 8.324 8.324 7.946 0.378 17689 1982 1 13 . 1 1 35 35 ASP N N 35 121.960 121.960 122.570 -0.610 17689 1983 1 13 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.511 -0.068 17689 1984 1 13 . 1 1 35 35 ASP H H 35 7.938 7.938 7.470 0.468 17689 1985 1 13 . 1 1 36 36 PHE N N 36 122.350 122.350 121.944 0.406 17689 1986 1 13 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.118 -0.018 17689 1987 1 13 . 1 1 36 36 PHE H H 36 8.649 8.649 8.714 -0.065 17689 1988 1 13 . 1 1 37 37 GLU N N 37 120.010 120.010 118.335 1.675 17689 1989 1 13 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.691 -0.403 17689 1990 1 13 . 1 1 37 37 GLU H H 37 8.169 8.169 8.020 0.149 17689 1991 1 13 . 1 1 38 38 VAL N N 38 119.850 119.850 120.273 -0.423 17689 1992 1 13 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.656 -0.094 17689 1993 1 13 . 1 1 38 38 VAL H H 38 7.404 7.404 7.312 0.092 17689 1994 1 13 . 1 1 39 39 LEU N N 39 121.490 121.490 122.019 -0.529 17689 1995 1 13 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.993 -0.035 17689 1996 1 13 . 1 1 39 39 LEU H H 39 7.593 7.593 8.169 -0.576 17689 1997 1 13 . 1 1 40 40 TYR N N 40 120.440 120.440 119.379 1.061 17689 1998 1 13 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.404 -0.757 17689 1999 1 13 . 1 1 40 40 TYR H H 40 8.743 8.743 8.652 0.091 17689 2000 1 13 . 1 1 41 41 GLY N N 41 105.790 105.790 106.653 -0.863 17689 2001 1 13 . 1 1 41 41 GLY H H 41 7.678 7.678 7.394 0.284 17689 2002 1 13 . 1 1 42 42 ASN N N 42 116.630 116.630 117.794 -1.164 17689 2003 1 13 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.819 -0.029 17689 2004 1 13 . 1 1 42 42 ASN H H 42 7.370 7.370 8.441 -1.071 17689 2005 1 13 . 1 1 43 43 THR N N 43 117.900 117.900 115.419 2.481 17689 2006 1 13 . 1 1 43 43 THR HA H 43 4.052 4.052 4.536 -0.484 17689 2007 1 13 . 1 1 43 43 THR H H 43 7.271 7.271 7.972 -0.701 17689 2008 1 13 . 1 1 44 44 ALA HA H 44 4.303 4.303 4.260 0.043 17689 2009 1 13 . 1 1 44 44 ALA H H 44 8.500 8.500 7.736 0.764 17689 2010 1 13 . 1 1 45 45 ASP N N 45 117.770 117.770 120.578 -2.808 17689 2011 1 13 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.440 0.437 17689 2012 1 13 . 1 1 45 45 ASP H H 45 7.403 7.403 7.921 -0.518 17689 2013 1 13 . 1 1 46 46 GLU N N 46 118.810 118.810 121.135 -2.325 17689 2014 1 13 . 1 1 46 46 GLU HA H 46 4.068 4.068 3.861 0.207 17689 2015 1 13 . 1 1 46 46 GLU H H 46 7.704 7.704 8.247 -0.543 17689 2016 1 13 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.866 0.024 17689 2017 1 13 . 1 1 47 47 ILE H H 47 8.530 8.530 7.977 0.553 17689 2018 1 13 . 1 1 48 48 ILE N N 48 129.130 129.130 124.397 4.733 17689 2019 1 13 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.359 -0.037 17689 2020 1 13 . 1 1 48 48 ILE H H 48 9.177 9.177 8.683 0.494 17689 2021 1 13 . 1 1 49 49 LYS N N 49 115.080 115.080 118.626 -3.546 17689 2022 1 13 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.601 0.713 17689 2023 1 13 . 1 1 49 49 LYS H H 49 7.964 7.964 7.932 0.032 17689 2024 1 13 . 1 1 50 50 LEU N N 50 122.010 122.010 121.398 0.612 17689 2025 1 13 . 1 1 50 50 LEU HA H 50 5.213 5.213 4.785 0.428 17689 2026 1 13 . 1 1 50 50 LEU H H 50 9.012 9.012 8.461 0.551 17689 2027 1 13 . 1 1 51 51 ARG N N 51 127.740 127.740 126.456 1.284 17689 2028 1 13 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.828 0.383 17689 2029 1 13 . 1 1 51 51 ARG H H 51 9.503 9.503 8.696 0.807 17689 2030 1 13 . 1 1 52 52 LEU N N 52 124.920 124.920 124.630 0.290 17689 2031 1 13 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.311 -0.138 17689 2032 1 13 . 1 1 52 52 LEU H H 52 8.658 8.658 8.536 0.122 17689 2033 1 13 . 1 1 53 53 ASP N N 53 124.020 124.020 125.575 -1.555 17689 2034 1 13 . 1 1 53 53 ASP HA H 53 5.448 5.448 4.951 0.497 17689 2035 1 13 . 1 1 53 53 ASP H H 53 8.773 8.773 9.081 -0.308 17689 2036 1 13 . 1 1 54 54 LYS N N 54 126.280 126.280 126.014 0.266 17689 2037 1 13 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.563 0.230 17689 2038 1 13 . 1 1 54 54 LYS H H 54 8.762 8.762 8.588 0.174 17689 2039 1 13 . 1 1 55 55 VAL N N 55 128.630 128.630 128.094 0.536 17689 2040 1 13 . 1 1 55 55 VAL HA H 55 3.900 3.900 3.927 -0.027 17689 2041 1 13 . 1 1 55 55 VAL H H 55 8.630 8.630 8.104 0.526 17689 2042 1 14 . 1 1 2 2 VAL N N 2 122.900 122.900 120.395 2.505 17689 2043 1 14 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.093 0.070 17689 2044 1 14 . 1 1 2 2 VAL H H 2 8.565 8.565 8.454 0.111 17689 2045 1 14 . 1 1 3 3 GLN N N 3 123.880 123.880 121.542 2.338 17689 2046 1 14 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.159 0.161 17689 2047 1 14 . 1 1 3 3 GLN H H 3 8.473 8.473 7.870 0.603 17689 2048 1 14 . 1 1 4 4 ASN N N 4 119.910 119.910 122.979 -3.069 17689 2049 1 14 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.529 0.121 17689 2050 1 14 . 1 1 4 4 ASN H H 4 8.381 8.381 8.379 0.002 17689 2051 1 14 . 1 1 5 5 ASP N N 5 119.700 119.700 118.924 0.776 17689 2052 1 14 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.353 0.215 17689 2053 1 14 . 1 1 5 5 ASP H H 5 8.238 8.238 8.353 -0.115 17689 2054 1 14 . 1 1 6 6 PHE N N 6 119.540 119.540 118.210 1.330 17689 2055 1 14 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.795 -0.132 17689 2056 1 14 . 1 1 6 6 PHE H H 6 8.025 8.025 7.858 0.167 17689 2057 1 14 . 1 1 7 7 VAL N N 7 120.550 120.550 122.464 -1.914 17689 2058 1 14 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.891 0.267 17689 2059 1 14 . 1 1 7 7 VAL H H 7 7.985 7.985 8.056 -0.071 17689 2060 1 14 . 1 1 8 8 ASP N N 8 123.470 123.470 126.516 -3.046 17689 2061 1 14 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.952 -0.329 17689 2062 1 14 . 1 1 8 8 ASP H H 8 8.205 8.205 8.563 -0.358 17689 2063 1 14 . 1 1 9 9 SER N N 9 116.500 116.500 112.035 4.465 17689 2064 1 14 . 1 1 9 9 SER HA H 9 4.785 4.785 4.809 -0.024 17689 2065 1 14 . 1 1 9 9 SER H H 9 8.337 8.337 7.681 0.656 17689 2066 1 14 . 1 1 10 10 TYR N N 10 120.450 120.450 120.021 0.429 17689 2067 1 14 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.421 0.632 17689 2068 1 14 . 1 1 10 10 TYR H H 10 9.584 9.584 8.301 1.283 17689 2069 1 14 . 1 1 11 11 ASP N N 11 121.160 121.160 123.326 -2.166 17689 2070 1 14 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.832 0.701 17689 2071 1 14 . 1 1 11 11 ASP H H 11 8.970 8.970 9.172 -0.202 17689 2072 1 14 . 1 1 12 12 VAL N N 12 123.530 123.530 128.086 -4.556 17689 2073 1 14 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.511 0.782 17689 2074 1 14 . 1 1 12 12 VAL H H 12 9.182 9.182 9.065 0.117 17689 2075 1 14 . 1 1 13 13 THR N N 13 124.760 124.760 125.649 -0.889 17689 2076 1 14 . 1 1 13 13 THR HA H 13 5.139 5.139 4.555 0.584 17689 2077 1 14 . 1 1 13 13 THR H H 13 9.172 9.172 9.027 0.145 17689 2078 1 14 . 1 1 14 14 MET N N 14 124.600 124.600 128.029 -3.429 17689 2079 1 14 . 1 1 14 14 MET HA H 14 5.216 5.216 5.026 0.190 17689 2080 1 14 . 1 1 14 14 MET H H 14 9.172 9.172 9.234 -0.062 17689 2081 1 14 . 1 1 15 15 LEU N N 15 125.470 125.470 122.817 2.653 17689 2082 1 14 . 1 1 15 15 LEU HA H 15 4.441 4.441 4.922 -0.481 17689 2083 1 14 . 1 1 15 15 LEU H H 15 8.934 8.934 8.884 0.050 17689 2084 1 14 . 1 1 16 16 LEU N N 16 129.120 129.120 123.320 5.800 17689 2085 1 14 . 1 1 16 16 LEU HA H 16 5.185 5.185 5.080 0.105 17689 2086 1 14 . 1 1 16 16 LEU H H 16 8.674 8.674 8.478 0.196 17689 2087 1 14 . 1 1 17 17 GLN N N 17 118.200 118.200 118.420 -0.220 17689 2088 1 14 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.806 0.506 17689 2089 1 14 . 1 1 17 17 GLN H H 17 8.638 8.638 8.042 0.596 17689 2090 1 14 . 1 1 18 18 ASP N N 18 126.700 126.700 126.841 -0.141 17689 2091 1 14 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.713 0.095 17689 2092 1 14 . 1 1 18 18 ASP H H 18 8.877 8.877 9.166 -0.289 17689 2093 1 14 . 1 1 19 19 ASP N N 19 117.840 117.840 121.972 -4.132 17689 2094 1 14 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.392 0.062 17689 2095 1 14 . 1 1 19 19 ASP H H 19 8.775 8.775 8.709 0.066 17689 2096 1 14 . 1 1 20 20 ASP N N 20 118.400 118.400 119.863 -1.463 17689 2097 1 14 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.551 0.290 17689 2098 1 14 . 1 1 20 20 ASP H H 20 8.261 8.261 8.388 -0.127 17689 2099 1 14 . 1 1 21 21 GLY N N 21 108.270 108.270 107.614 0.656 17689 2100 1 14 . 1 1 21 21 GLY H H 21 8.188 8.188 8.005 0.183 17689 2101 1 14 . 1 1 22 22 LYS N N 22 123.480 123.480 121.701 1.779 17689 2102 1 14 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.344 -0.039 17689 2103 1 14 . 1 1 22 22 LYS H H 22 8.433 8.433 8.149 0.284 17689 2104 1 14 . 1 1 23 23 GLN N N 23 122.260 122.260 123.660 -1.400 17689 2105 1 14 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.961 0.749 17689 2106 1 14 . 1 1 23 23 GLN H H 23 8.426 8.426 8.751 -0.325 17689 2107 1 14 . 1 1 24 24 TYR N N 24 120.420 120.420 120.263 0.157 17689 2108 1 14 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.955 -0.051 17689 2109 1 14 . 1 1 24 24 TYR H H 24 8.927 8.927 8.864 0.063 17689 2110 1 14 . 1 1 25 25 TYR N N 25 118.880 118.880 121.519 -2.639 17689 2111 1 14 . 1 1 25 25 TYR HA H 25 5.384 5.384 4.906 0.478 17689 2112 1 14 . 1 1 25 25 TYR H H 25 8.654 8.654 8.868 -0.214 17689 2113 1 14 . 1 1 26 26 GLU N N 26 120.270 120.270 122.671 -2.401 17689 2114 1 14 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.795 -0.175 17689 2115 1 14 . 1 1 26 26 GLU H H 26 9.067 9.067 9.091 -0.024 17689 2116 1 14 . 1 1 27 27 TYR N N 27 123.610 123.610 123.193 0.417 17689 2117 1 14 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.595 0.824 17689 2118 1 14 . 1 1 27 27 TYR H H 27 8.654 8.654 8.725 -0.070 17689 2119 1 14 . 1 1 28 28 HIS N N 28 120.690 120.690 126.331 -5.641 17689 2120 1 14 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.897 -0.039 17689 2121 1 14 . 1 1 28 28 HIS H H 28 9.114 9.114 9.238 -0.124 17689 2122 1 14 . 1 1 29 29 LYS N N 29 124.700 124.700 121.704 2.996 17689 2123 1 14 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.992 -0.031 17689 2124 1 14 . 1 1 29 29 LYS H H 29 8.871 8.871 8.230 0.641 17689 2125 1 14 . 1 1 30 30 GLY N N 30 112.960 112.960 108.637 4.323 17689 2126 1 14 . 1 1 30 30 GLY H H 30 8.739 8.739 8.147 0.592 17689 2127 1 14 . 1 1 31 31 LEU N N 31 122.260 122.260 113.490 8.770 17689 2128 1 14 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.906 -0.124 17689 2129 1 14 . 1 1 31 31 LEU H H 31 9.349 9.349 7.798 1.551 17689 2130 1 14 . 1 1 32 32 SER N N 32 117.760 117.760 113.430 4.330 17689 2131 1 14 . 1 1 32 32 SER HA H 32 5.053 5.053 4.923 0.130 17689 2132 1 14 . 1 1 32 32 SER H H 32 8.993 8.993 8.732 0.261 17689 2133 1 14 . 1 1 33 33 LEU N N 33 122.480 122.480 122.476 0.004 17689 2134 1 14 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.063 0.038 17689 2135 1 14 . 1 1 33 33 LEU H H 33 9.582 9.582 8.574 1.008 17689 2136 1 14 . 1 1 34 34 SER N N 34 113.790 113.790 113.148 0.642 17689 2137 1 14 . 1 1 34 34 SER HA H 34 4.210 4.210 4.223 -0.013 17689 2138 1 14 . 1 1 34 34 SER H H 34 8.324 8.324 8.236 0.088 17689 2139 1 14 . 1 1 35 35 ASP N N 35 121.960 121.960 122.355 -0.395 17689 2140 1 14 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.561 -0.118 17689 2141 1 14 . 1 1 35 35 ASP H H 35 7.938 7.938 7.639 0.299 17689 2142 1 14 . 1 1 36 36 PHE N N 36 122.350 122.350 122.187 0.163 17689 2143 1 14 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.099 0.001 17689 2144 1 14 . 1 1 36 36 PHE H H 36 8.649 8.649 8.746 -0.097 17689 2145 1 14 . 1 1 37 37 GLU N N 37 120.010 120.010 118.676 1.334 17689 2146 1 14 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.606 -0.318 17689 2147 1 14 . 1 1 37 37 GLU H H 37 8.169 8.169 8.148 0.021 17689 2148 1 14 . 1 1 38 38 VAL N N 38 119.850 119.850 119.758 0.092 17689 2149 1 14 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.648 -0.086 17689 2150 1 14 . 1 1 38 38 VAL H H 38 7.404 7.404 7.026 0.378 17689 2151 1 14 . 1 1 39 39 LEU N N 39 121.490 121.490 121.743 -0.253 17689 2152 1 14 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.876 0.082 17689 2153 1 14 . 1 1 39 39 LEU H H 39 7.593 7.593 7.728 -0.135 17689 2154 1 14 . 1 1 40 40 TYR N N 40 120.440 120.440 119.254 1.186 17689 2155 1 14 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.204 -0.557 17689 2156 1 14 . 1 1 40 40 TYR H H 40 8.743 8.743 8.597 0.146 17689 2157 1 14 . 1 1 41 41 GLY N N 41 105.790 105.790 105.856 -0.066 17689 2158 1 14 . 1 1 41 41 GLY H H 41 7.678 7.678 7.914 -0.236 17689 2159 1 14 . 1 1 42 42 ASN N N 42 116.630 116.630 117.990 -1.360 17689 2160 1 14 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.775 0.015 17689 2161 1 14 . 1 1 42 42 ASN H H 42 7.370 7.370 8.172 -0.802 17689 2162 1 14 . 1 1 43 43 THR N N 43 117.900 117.900 113.181 4.719 17689 2163 1 14 . 1 1 43 43 THR HA H 43 4.052 4.052 4.485 -0.433 17689 2164 1 14 . 1 1 43 43 THR H H 43 7.271 7.271 8.339 -1.068 17689 2165 1 14 . 1 1 44 44 ALA HA H 44 4.303 4.303 4.159 0.144 17689 2166 1 14 . 1 1 44 44 ALA H H 44 8.500 8.500 8.032 0.468 17689 2167 1 14 . 1 1 45 45 ASP N N 45 117.770 117.770 119.879 -2.109 17689 2168 1 14 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.432 0.445 17689 2169 1 14 . 1 1 45 45 ASP H H 45 7.403 7.403 7.712 -0.309 17689 2170 1 14 . 1 1 46 46 GLU N N 46 118.810 118.810 122.714 -3.904 17689 2171 1 14 . 1 1 46 46 GLU HA H 46 4.068 4.068 3.872 0.196 17689 2172 1 14 . 1 1 46 46 GLU H H 46 7.704 7.704 8.626 -0.922 17689 2173 1 14 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.782 0.108 17689 2174 1 14 . 1 1 47 47 ILE H H 47 8.530 8.530 7.745 0.785 17689 2175 1 14 . 1 1 48 48 ILE N N 48 129.130 129.130 128.105 1.025 17689 2176 1 14 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.354 -0.032 17689 2177 1 14 . 1 1 48 48 ILE H H 48 9.177 9.177 8.716 0.461 17689 2178 1 14 . 1 1 49 49 LYS N N 49 115.080 115.080 118.402 -3.322 17689 2179 1 14 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.616 0.698 17689 2180 1 14 . 1 1 49 49 LYS H H 49 7.964 7.964 7.888 0.076 17689 2181 1 14 . 1 1 50 50 LEU N N 50 122.010 122.010 120.959 1.051 17689 2182 1 14 . 1 1 50 50 LEU HA H 50 5.213 5.213 4.739 0.474 17689 2183 1 14 . 1 1 50 50 LEU H H 50 9.012 9.012 8.562 0.450 17689 2184 1 14 . 1 1 51 51 ARG N N 51 127.740 127.740 127.654 0.086 17689 2185 1 14 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.714 0.497 17689 2186 1 14 . 1 1 51 51 ARG H H 51 9.503 9.503 8.957 0.546 17689 2187 1 14 . 1 1 52 52 LEU N N 52 124.920 124.920 126.761 -1.841 17689 2188 1 14 . 1 1 52 52 LEU HA H 52 5.173 5.173 4.989 0.184 17689 2189 1 14 . 1 1 52 52 LEU H H 52 8.658 8.658 8.515 0.143 17689 2190 1 14 . 1 1 53 53 ASP N N 53 124.020 124.020 126.347 -2.327 17689 2191 1 14 . 1 1 53 53 ASP HA H 53 5.448 5.448 4.905 0.543 17689 2192 1 14 . 1 1 53 53 ASP H H 53 8.773 8.773 9.036 -0.263 17689 2193 1 14 . 1 1 54 54 LYS N N 54 126.280 126.280 126.046 0.234 17689 2194 1 14 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.249 0.544 17689 2195 1 14 . 1 1 54 54 LYS H H 54 8.762 8.762 8.396 0.366 17689 2196 1 14 . 1 1 55 55 VAL N N 55 128.630 128.630 125.179 3.451 17689 2197 1 14 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.121 -0.221 17689 2198 1 14 . 1 1 55 55 VAL H H 55 8.630 8.630 7.954 0.676 17689 2199 1 15 . 1 1 2 2 VAL N N 2 122.900 122.900 120.888 2.012 17689 2200 1 15 . 1 1 2 2 VAL HA H 2 4.163 4.163 3.748 0.415 17689 2201 1 15 . 1 1 2 2 VAL H H 2 8.565 8.565 8.460 0.105 17689 2202 1 15 . 1 1 3 3 GLN N N 3 123.880 123.880 116.642 7.238 17689 2203 1 15 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.246 0.074 17689 2204 1 15 . 1 1 3 3 GLN H H 3 8.473 8.473 8.519 -0.046 17689 2205 1 15 . 1 1 4 4 ASN N N 4 119.910 119.910 118.641 1.269 17689 2206 1 15 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.741 -0.091 17689 2207 1 15 . 1 1 4 4 ASN H H 4 8.381 8.381 8.156 0.225 17689 2208 1 15 . 1 1 5 5 ASP N N 5 119.700 119.700 118.539 1.161 17689 2209 1 15 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.433 0.135 17689 2210 1 15 . 1 1 5 5 ASP H H 5 8.238 8.238 7.715 0.523 17689 2211 1 15 . 1 1 6 6 PHE N N 6 119.540 119.540 114.134 5.406 17689 2212 1 15 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.150 0.513 17689 2213 1 15 . 1 1 6 6 PHE H H 6 8.025 8.025 7.841 0.184 17689 2214 1 15 . 1 1 7 7 VAL N N 7 120.550 120.550 120.386 0.164 17689 2215 1 15 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.824 0.334 17689 2216 1 15 . 1 1 7 7 VAL H H 7 7.985 7.985 7.638 0.347 17689 2217 1 15 . 1 1 8 8 ASP N N 8 123.470 123.470 126.415 -2.945 17689 2218 1 15 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.881 -0.258 17689 2219 1 15 . 1 1 8 8 ASP H H 8 8.205 8.205 8.214 -0.009 17689 2220 1 15 . 1 1 9 9 SER N N 9 116.500 116.500 113.314 3.186 17689 2221 1 15 . 1 1 9 9 SER HA H 9 4.785 4.785 4.633 0.152 17689 2222 1 15 . 1 1 9 9 SER H H 9 8.337 8.337 7.949 0.388 17689 2223 1 15 . 1 1 10 10 TYR N N 10 120.450 120.450 119.971 0.479 17689 2224 1 15 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.411 0.642 17689 2225 1 15 . 1 1 10 10 TYR H H 10 9.584 9.584 8.250 1.334 17689 2226 1 15 . 1 1 11 11 ASP N N 11 121.160 121.160 123.773 -2.613 17689 2227 1 15 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.797 0.736 17689 2228 1 15 . 1 1 11 11 ASP H H 11 8.970 8.970 8.646 0.324 17689 2229 1 15 . 1 1 12 12 VAL N N 12 123.530 123.530 127.956 -4.426 17689 2230 1 15 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.665 0.628 17689 2231 1 15 . 1 1 12 12 VAL H H 12 9.182 9.182 8.971 0.211 17689 2232 1 15 . 1 1 13 13 THR N N 13 124.760 124.760 124.398 0.362 17689 2233 1 15 . 1 1 13 13 THR HA H 13 5.139 5.139 4.831 0.308 17689 2234 1 15 . 1 1 13 13 THR H H 13 9.172 9.172 9.083 0.089 17689 2235 1 15 . 1 1 14 14 MET N N 14 124.600 124.600 127.126 -2.526 17689 2236 1 15 . 1 1 14 14 MET HA H 14 5.216 5.216 5.279 -0.063 17689 2237 1 15 . 1 1 14 14 MET H H 14 9.172 9.172 9.163 0.009 17689 2238 1 15 . 1 1 15 15 LEU N N 15 125.470 125.470 122.083 3.387 17689 2239 1 15 . 1 1 15 15 LEU HA H 15 4.441 4.441 4.926 -0.485 17689 2240 1 15 . 1 1 15 15 LEU H H 15 8.934 8.934 8.852 0.082 17689 2241 1 15 . 1 1 16 16 LEU N N 16 129.120 129.120 122.608 6.512 17689 2242 1 15 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.626 0.559 17689 2243 1 15 . 1 1 16 16 LEU H H 16 8.674 8.674 8.364 0.310 17689 2244 1 15 . 1 1 17 17 GLN N N 17 118.200 118.200 118.049 0.151 17689 2245 1 15 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.710 0.602 17689 2246 1 15 . 1 1 17 17 GLN H H 17 8.638 8.638 8.620 0.018 17689 2247 1 15 . 1 1 18 18 ASP N N 18 126.700 126.700 125.649 1.051 17689 2248 1 15 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.804 0.004 17689 2249 1 15 . 1 1 18 18 ASP H H 18 8.877 8.877 8.993 -0.116 17689 2250 1 15 . 1 1 19 19 ASP N N 19 117.840 117.840 122.169 -4.329 17689 2251 1 15 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.444 0.010 17689 2252 1 15 . 1 1 19 19 ASP H H 19 8.775 8.775 8.737 0.038 17689 2253 1 15 . 1 1 20 20 ASP N N 20 118.400 118.400 118.156 0.244 17689 2254 1 15 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.606 0.235 17689 2255 1 15 . 1 1 20 20 ASP H H 20 8.261 8.261 8.366 -0.105 17689 2256 1 15 . 1 1 21 21 GLY N N 21 108.270 108.270 106.673 1.597 17689 2257 1 15 . 1 1 21 21 GLY H H 21 8.188 8.188 8.016 0.172 17689 2258 1 15 . 1 1 22 22 LYS N N 22 123.480 123.480 121.502 1.978 17689 2259 1 15 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.313 -0.008 17689 2260 1 15 . 1 1 22 22 LYS H H 22 8.433 8.433 8.087 0.346 17689 2261 1 15 . 1 1 23 23 GLN N N 23 122.260 122.260 123.544 -1.284 17689 2262 1 15 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.952 0.758 17689 2263 1 15 . 1 1 23 23 GLN H H 23 8.426 8.426 8.672 -0.246 17689 2264 1 15 . 1 1 24 24 TYR N N 24 120.420 120.420 120.091 0.329 17689 2265 1 15 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.959 -0.055 17689 2266 1 15 . 1 1 24 24 TYR H H 24 8.927 8.927 8.718 0.209 17689 2267 1 15 . 1 1 25 25 TYR N N 25 118.880 118.880 121.248 -2.368 17689 2268 1 15 . 1 1 25 25 TYR HA H 25 5.384 5.384 4.785 0.599 17689 2269 1 15 . 1 1 25 25 TYR H H 25 8.654 8.654 8.850 -0.196 17689 2270 1 15 . 1 1 26 26 GLU N N 26 120.270 120.270 121.894 -1.624 17689 2271 1 15 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.736 -0.116 17689 2272 1 15 . 1 1 26 26 GLU H H 26 9.067 9.067 9.018 0.049 17689 2273 1 15 . 1 1 27 27 TYR N N 27 123.610 123.610 122.094 1.516 17689 2274 1 15 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.720 0.699 17689 2275 1 15 . 1 1 27 27 TYR H H 27 8.654 8.654 8.283 0.371 17689 2276 1 15 . 1 1 28 28 HIS N N 28 120.690 120.690 125.111 -4.421 17689 2277 1 15 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.903 -0.045 17689 2278 1 15 . 1 1 28 28 HIS H H 28 9.114 9.114 9.320 -0.206 17689 2279 1 15 . 1 1 29 29 LYS N N 29 124.700 124.700 122.840 1.860 17689 2280 1 15 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.900 0.061 17689 2281 1 15 . 1 1 29 29 LYS H H 29 8.871 8.871 8.503 0.368 17689 2282 1 15 . 1 1 30 30 GLY N N 30 112.960 112.960 109.012 3.948 17689 2283 1 15 . 1 1 30 30 GLY H H 30 8.739 8.739 8.230 0.509 17689 2284 1 15 . 1 1 31 31 LEU N N 31 122.260 122.260 113.840 8.420 17689 2285 1 15 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.944 -0.162 17689 2286 1 15 . 1 1 31 31 LEU H H 31 9.349 9.349 7.826 1.523 17689 2287 1 15 . 1 1 32 32 SER N N 32 117.760 117.760 112.635 5.125 17689 2288 1 15 . 1 1 32 32 SER HA H 32 5.053 5.053 4.840 0.213 17689 2289 1 15 . 1 1 32 32 SER H H 32 8.993 8.993 8.417 0.576 17689 2290 1 15 . 1 1 33 33 LEU N N 33 122.480 122.480 122.607 -0.127 17689 2291 1 15 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.261 -0.160 17689 2292 1 15 . 1 1 33 33 LEU H H 33 9.582 9.582 8.603 0.979 17689 2293 1 15 . 1 1 34 34 SER N N 34 113.790 113.790 114.939 -1.149 17689 2294 1 15 . 1 1 34 34 SER HA H 34 4.210 4.210 4.155 0.055 17689 2295 1 15 . 1 1 34 34 SER H H 34 8.324 8.324 8.065 0.259 17689 2296 1 15 . 1 1 35 35 ASP N N 35 121.960 121.960 122.584 -0.624 17689 2297 1 15 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.504 -0.061 17689 2298 1 15 . 1 1 35 35 ASP H H 35 7.938 7.938 7.508 0.429 17689 2299 1 15 . 1 1 36 36 PHE N N 36 122.350 122.350 122.155 0.195 17689 2300 1 15 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.154 -0.054 17689 2301 1 15 . 1 1 36 36 PHE H H 36 8.649 8.649 8.537 0.112 17689 2302 1 15 . 1 1 37 37 GLU N N 37 120.010 120.010 118.749 1.261 17689 2303 1 15 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.617 -0.329 17689 2304 1 15 . 1 1 37 37 GLU H H 37 8.169 8.169 8.355 -0.186 17689 2305 1 15 . 1 1 38 38 VAL N N 38 119.850 119.850 120.161 -0.311 17689 2306 1 15 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.609 -0.047 17689 2307 1 15 . 1 1 38 38 VAL H H 38 7.404 7.404 7.258 0.146 17689 2308 1 15 . 1 1 39 39 LEU N N 39 121.490 121.490 121.508 -0.018 17689 2309 1 15 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.878 0.080 17689 2310 1 15 . 1 1 39 39 LEU H H 39 7.593 7.593 7.959 -0.366 17689 2311 1 15 . 1 1 40 40 TYR N N 40 120.440 120.440 119.560 0.880 17689 2312 1 15 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.160 -0.513 17689 2313 1 15 . 1 1 40 40 TYR H H 40 8.743 8.743 8.812 -0.069 17689 2314 1 15 . 1 1 41 41 GLY N N 41 105.790 105.790 106.012 -0.222 17689 2315 1 15 . 1 1 41 41 GLY H H 41 7.678 7.678 8.238 -0.560 17689 2316 1 15 . 1 1 42 42 ASN N N 42 116.630 116.630 119.263 -2.633 17689 2317 1 15 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.617 0.173 17689 2318 1 15 . 1 1 42 42 ASN H H 42 7.370 7.370 8.335 -0.965 17689 2319 1 15 . 1 1 43 43 THR N N 43 117.900 117.900 115.565 2.335 17689 2320 1 15 . 1 1 43 43 THR HA H 43 4.052 4.052 4.095 -0.043 17689 2321 1 15 . 1 1 43 43 THR H H 43 7.271 7.271 7.711 -0.440 17689 2322 1 15 . 1 1 44 44 ALA HA H 44 4.303 4.303 3.751 0.552 17689 2323 1 15 . 1 1 44 44 ALA H H 44 8.500 8.500 7.658 0.842 17689 2324 1 15 . 1 1 45 45 ASP N N 45 117.770 117.770 117.615 0.155 17689 2325 1 15 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.701 0.176 17689 2326 1 15 . 1 1 45 45 ASP H H 45 7.403 7.403 7.813 -0.410 17689 2327 1 15 . 1 1 46 46 GLU N N 46 118.810 118.810 121.860 -3.050 17689 2328 1 15 . 1 1 46 46 GLU HA H 46 4.068 4.068 4.282 -0.214 17689 2329 1 15 . 1 1 46 46 GLU H H 46 7.704 7.704 8.510 -0.806 17689 2330 1 15 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.714 0.176 17689 2331 1 15 . 1 1 47 47 ILE H H 47 8.530 8.530 8.340 0.190 17689 2332 1 15 . 1 1 48 48 ILE N N 48 129.130 129.130 125.579 3.551 17689 2333 1 15 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.219 0.103 17689 2334 1 15 . 1 1 48 48 ILE H H 48 9.177 9.177 8.459 0.718 17689 2335 1 15 . 1 1 49 49 LYS N N 49 115.080 115.080 118.338 -3.258 17689 2336 1 15 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.563 0.751 17689 2337 1 15 . 1 1 49 49 LYS H H 49 7.964 7.964 7.714 0.250 17689 2338 1 15 . 1 1 50 50 LEU N N 50 122.010 122.010 122.514 -0.504 17689 2339 1 15 . 1 1 50 50 LEU HA H 50 5.213 5.213 4.801 0.412 17689 2340 1 15 . 1 1 50 50 LEU H H 50 9.012 9.012 8.524 0.488 17689 2341 1 15 . 1 1 51 51 ARG N N 51 127.740 127.740 127.999 -0.259 17689 2342 1 15 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.826 0.385 17689 2343 1 15 . 1 1 51 51 ARG H H 51 9.503 9.503 8.943 0.560 17689 2344 1 15 . 1 1 52 52 LEU N N 52 124.920 124.920 124.953 -0.033 17689 2345 1 15 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.551 -0.378 17689 2346 1 15 . 1 1 52 52 LEU H H 52 8.658 8.658 8.511 0.147 17689 2347 1 15 . 1 1 53 53 ASP N N 53 124.020 124.020 122.673 1.347 17689 2348 1 15 . 1 1 53 53 ASP HA H 53 5.448 5.448 5.127 0.321 17689 2349 1 15 . 1 1 53 53 ASP H H 53 8.773 8.773 8.865 -0.092 17689 2350 1 15 . 1 1 54 54 LYS N N 54 126.280 126.280 119.592 6.688 17689 2351 1 15 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.214 0.579 17689 2352 1 15 . 1 1 54 54 LYS H H 54 8.762 8.762 8.429 0.333 17689 2353 1 15 . 1 1 55 55 VAL N N 55 128.630 128.630 118.541 10.089 17689 2354 1 15 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.130 -0.230 17689 2355 1 15 . 1 1 55 55 VAL H H 55 8.630 8.630 8.089 0.541 17689 2356 1 16 . 1 1 2 2 VAL N N 2 122.900 122.900 119.590 3.310 17689 2357 1 16 . 1 1 2 2 VAL HA H 2 4.163 4.163 3.837 0.326 17689 2358 1 16 . 1 1 2 2 VAL H H 2 8.565 8.565 8.607 -0.042 17689 2359 1 16 . 1 1 3 3 GLN N N 3 123.880 123.880 116.395 7.485 17689 2360 1 16 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.363 -0.043 17689 2361 1 16 . 1 1 3 3 GLN H H 3 8.473 8.473 7.812 0.661 17689 2362 1 16 . 1 1 4 4 ASN N N 4 119.910 119.910 118.939 0.971 17689 2363 1 16 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.627 0.023 17689 2364 1 16 . 1 1 4 4 ASN H H 4 8.381 8.381 7.956 0.425 17689 2365 1 16 . 1 1 5 5 ASP N N 5 119.700 119.700 120.183 -0.483 17689 2366 1 16 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.645 -0.077 17689 2367 1 16 . 1 1 5 5 ASP H H 5 8.238 8.238 7.541 0.697 17689 2368 1 16 . 1 1 6 6 PHE N N 6 119.540 119.540 115.455 4.085 17689 2369 1 16 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.086 0.577 17689 2370 1 16 . 1 1 6 6 PHE H H 6 8.025 8.025 7.790 0.235 17689 2371 1 16 . 1 1 7 7 VAL N N 7 120.550 120.550 120.109 0.441 17689 2372 1 16 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.896 0.262 17689 2373 1 16 . 1 1 7 7 VAL H H 7 7.985 7.985 7.946 0.039 17689 2374 1 16 . 1 1 8 8 ASP N N 8 123.470 123.470 127.920 -4.450 17689 2375 1 16 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.778 -0.155 17689 2376 1 16 . 1 1 8 8 ASP H H 8 8.205 8.205 8.169 0.036 17689 2377 1 16 . 1 1 9 9 SER N N 9 116.500 116.500 114.393 2.107 17689 2378 1 16 . 1 1 9 9 SER HA H 9 4.785 4.785 4.587 0.198 17689 2379 1 16 . 1 1 9 9 SER H H 9 8.337 8.337 7.756 0.581 17689 2380 1 16 . 1 1 10 10 TYR N N 10 120.450 120.450 120.177 0.273 17689 2381 1 16 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.368 0.685 17689 2382 1 16 . 1 1 10 10 TYR H H 10 9.584 9.584 8.522 1.062 17689 2383 1 16 . 1 1 11 11 ASP N N 11 121.160 121.160 121.985 -0.825 17689 2384 1 16 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.846 0.687 17689 2385 1 16 . 1 1 11 11 ASP H H 11 8.970 8.970 8.641 0.329 17689 2386 1 16 . 1 1 12 12 VAL N N 12 123.530 123.530 127.807 -4.277 17689 2387 1 16 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.655 0.638 17689 2388 1 16 . 1 1 12 12 VAL H H 12 9.182 9.182 8.783 0.399 17689 2389 1 16 . 1 1 13 13 THR N N 13 124.760 124.760 124.046 0.714 17689 2390 1 16 . 1 1 13 13 THR HA H 13 5.139 5.139 4.465 0.674 17689 2391 1 16 . 1 1 13 13 THR H H 13 9.172 9.172 9.027 0.145 17689 2392 1 16 . 1 1 14 14 MET N N 14 124.600 124.600 127.063 -2.463 17689 2393 1 16 . 1 1 14 14 MET HA H 14 5.216 5.216 5.169 0.047 17689 2394 1 16 . 1 1 14 14 MET H H 14 9.172 9.172 9.048 0.124 17689 2395 1 16 . 1 1 15 15 LEU N N 15 125.470 125.470 122.373 3.097 17689 2396 1 16 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.346 -0.905 17689 2397 1 16 . 1 1 15 15 LEU H H 15 8.934 8.934 8.881 0.053 17689 2398 1 16 . 1 1 16 16 LEU N N 16 129.120 129.120 120.826 8.294 17689 2399 1 16 . 1 1 16 16 LEU HA H 16 5.185 5.185 5.050 0.135 17689 2400 1 16 . 1 1 16 16 LEU H H 16 8.674 8.674 8.659 0.015 17689 2401 1 16 . 1 1 17 17 GLN N N 17 118.200 118.200 118.679 -0.479 17689 2402 1 16 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.940 0.372 17689 2403 1 16 . 1 1 17 17 GLN H H 17 8.638 8.638 8.165 0.472 17689 2404 1 16 . 1 1 18 18 ASP N N 18 126.700 126.700 126.164 0.536 17689 2405 1 16 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.712 0.096 17689 2406 1 16 . 1 1 18 18 ASP H H 18 8.877 8.877 9.060 -0.183 17689 2407 1 16 . 1 1 19 19 ASP N N 19 117.840 117.840 122.012 -4.172 17689 2408 1 16 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.427 0.027 17689 2409 1 16 . 1 1 19 19 ASP H H 19 8.775 8.775 8.754 0.021 17689 2410 1 16 . 1 1 20 20 ASP N N 20 118.400 118.400 118.584 -0.184 17689 2411 1 16 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.683 0.158 17689 2412 1 16 . 1 1 20 20 ASP H H 20 8.261 8.261 8.380 -0.119 17689 2413 1 16 . 1 1 21 21 GLY N N 21 108.270 108.270 106.819 1.451 17689 2414 1 16 . 1 1 21 21 GLY H H 21 8.188 8.188 7.877 0.311 17689 2415 1 16 . 1 1 22 22 LYS N N 22 123.480 123.480 121.577 1.903 17689 2416 1 16 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.371 -0.066 17689 2417 1 16 . 1 1 22 22 LYS H H 22 8.433 8.433 8.078 0.355 17689 2418 1 16 . 1 1 23 23 GLN N N 23 122.260 122.260 124.005 -1.745 17689 2419 1 16 . 1 1 23 23 GLN HA H 23 5.710 5.710 5.106 0.604 17689 2420 1 16 . 1 1 23 23 GLN H H 23 8.426 8.426 8.694 -0.268 17689 2421 1 16 . 1 1 24 24 TYR N N 24 120.420 120.420 122.702 -2.282 17689 2422 1 16 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.962 -0.058 17689 2423 1 16 . 1 1 24 24 TYR H H 24 8.927 8.927 8.906 0.021 17689 2424 1 16 . 1 1 25 25 TYR N N 25 118.880 118.880 125.028 -6.148 17689 2425 1 16 . 1 1 25 25 TYR HA H 25 5.384 5.384 5.167 0.217 17689 2426 1 16 . 1 1 25 25 TYR H H 25 8.654 8.654 8.730 -0.076 17689 2427 1 16 . 1 1 26 26 GLU N N 26 120.270 120.270 126.870 -6.600 17689 2428 1 16 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.615 0.005 17689 2429 1 16 . 1 1 26 26 GLU H H 26 9.067 9.067 8.794 0.273 17689 2430 1 16 . 1 1 27 27 TYR N N 27 123.610 123.610 121.926 1.684 17689 2431 1 16 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.361 1.058 17689 2432 1 16 . 1 1 27 27 TYR H H 27 8.654 8.654 8.480 0.174 17689 2433 1 16 . 1 1 28 28 HIS N N 28 120.690 120.690 123.459 -2.769 17689 2434 1 16 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.889 -0.031 17689 2435 1 16 . 1 1 28 28 HIS H H 28 9.114 9.114 8.347 0.767 17689 2436 1 16 . 1 1 29 29 LYS N N 29 124.700 124.700 120.920 3.780 17689 2437 1 16 . 1 1 29 29 LYS HA H 29 4.961 4.961 5.018 -0.057 17689 2438 1 16 . 1 1 29 29 LYS H H 29 8.871 8.871 8.030 0.841 17689 2439 1 16 . 1 1 30 30 GLY N N 30 112.960 112.960 108.626 4.334 17689 2440 1 16 . 1 1 30 30 GLY H H 30 8.739 8.739 8.157 0.582 17689 2441 1 16 . 1 1 31 31 LEU N N 31 122.260 122.260 113.461 8.799 17689 2442 1 16 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.923 -0.141 17689 2443 1 16 . 1 1 31 31 LEU H H 31 9.349 9.349 7.594 1.755 17689 2444 1 16 . 1 1 32 32 SER N N 32 117.760 117.760 112.708 5.052 17689 2445 1 16 . 1 1 32 32 SER HA H 32 5.053 5.053 4.680 0.373 17689 2446 1 16 . 1 1 32 32 SER H H 32 8.993 8.993 8.025 0.968 17689 2447 1 16 . 1 1 33 33 LEU N N 33 122.480 122.480 121.931 0.549 17689 2448 1 16 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.266 -0.165 17689 2449 1 16 . 1 1 33 33 LEU H H 33 9.582 9.582 8.551 1.031 17689 2450 1 16 . 1 1 34 34 SER N N 34 113.790 113.790 113.951 -0.161 17689 2451 1 16 . 1 1 34 34 SER HA H 34 4.210 4.210 4.193 0.017 17689 2452 1 16 . 1 1 34 34 SER H H 34 8.324 8.324 8.233 0.091 17689 2453 1 16 . 1 1 35 35 ASP N N 35 121.960 121.960 123.187 -1.227 17689 2454 1 16 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.557 -0.114 17689 2455 1 16 . 1 1 35 35 ASP H H 35 7.938 7.938 7.733 0.205 17689 2456 1 16 . 1 1 36 36 PHE N N 36 122.350 122.350 121.766 0.584 17689 2457 1 16 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.143 -0.043 17689 2458 1 16 . 1 1 36 36 PHE H H 36 8.649 8.649 8.462 0.187 17689 2459 1 16 . 1 1 37 37 GLU N N 37 120.010 120.010 118.963 1.047 17689 2460 1 16 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.781 -0.493 17689 2461 1 16 . 1 1 37 37 GLU H H 37 8.169 8.169 8.354 -0.185 17689 2462 1 16 . 1 1 38 38 VAL N N 38 119.850 119.850 119.927 -0.077 17689 2463 1 16 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.669 -0.107 17689 2464 1 16 . 1 1 38 38 VAL H H 38 7.404 7.404 7.251 0.153 17689 2465 1 16 . 1 1 39 39 LEU N N 39 121.490 121.490 122.233 -0.743 17689 2466 1 16 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.931 0.027 17689 2467 1 16 . 1 1 39 39 LEU H H 39 7.593 7.593 7.796 -0.203 17689 2468 1 16 . 1 1 40 40 TYR N N 40 120.440 120.440 119.147 1.293 17689 2469 1 16 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.169 -0.522 17689 2470 1 16 . 1 1 40 40 TYR H H 40 8.743 8.743 8.611 0.132 17689 2471 1 16 . 1 1 41 41 GLY N N 41 105.790 105.790 105.892 -0.102 17689 2472 1 16 . 1 1 41 41 GLY H H 41 7.678 7.678 7.869 -0.191 17689 2473 1 16 . 1 1 42 42 ASN N N 42 116.630 116.630 117.382 -0.752 17689 2474 1 16 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.836 -0.046 17689 2475 1 16 . 1 1 42 42 ASN H H 42 7.370 7.370 8.386 -1.016 17689 2476 1 16 . 1 1 43 43 THR N N 43 117.900 117.900 114.981 2.919 17689 2477 1 16 . 1 1 43 43 THR HA H 43 4.052 4.052 4.456 -0.404 17689 2478 1 16 . 1 1 43 43 THR H H 43 7.271 7.271 8.009 -0.738 17689 2479 1 16 . 1 1 44 44 ALA HA H 44 4.303 4.303 4.230 0.073 17689 2480 1 16 . 1 1 44 44 ALA H H 44 8.500 8.500 7.890 0.610 17689 2481 1 16 . 1 1 45 45 ASP N N 45 117.770 117.770 119.685 -1.915 17689 2482 1 16 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.434 0.443 17689 2483 1 16 . 1 1 45 45 ASP H H 45 7.403 7.403 7.868 -0.465 17689 2484 1 16 . 1 1 46 46 GLU N N 46 118.810 118.810 121.428 -2.618 17689 2485 1 16 . 1 1 46 46 GLU HA H 46 4.068 4.068 3.933 0.135 17689 2486 1 16 . 1 1 46 46 GLU H H 46 7.704 7.704 8.589 -0.885 17689 2487 1 16 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.858 0.032 17689 2488 1 16 . 1 1 47 47 ILE H H 47 8.530 8.530 8.027 0.503 17689 2489 1 16 . 1 1 48 48 ILE N N 48 129.130 129.130 128.165 0.965 17689 2490 1 16 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.451 -0.129 17689 2491 1 16 . 1 1 48 48 ILE H H 48 9.177 9.177 8.255 0.922 17689 2492 1 16 . 1 1 49 49 LYS N N 49 115.080 115.080 120.045 -4.965 17689 2493 1 16 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.629 0.685 17689 2494 1 16 . 1 1 49 49 LYS H H 49 7.964 7.964 8.104 -0.140 17689 2495 1 16 . 1 1 50 50 LEU N N 50 122.010 122.010 121.015 0.995 17689 2496 1 16 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.345 -0.132 17689 2497 1 16 . 1 1 50 50 LEU H H 50 9.012 9.012 8.515 0.497 17689 2498 1 16 . 1 1 51 51 ARG N N 51 127.740 127.740 123.490 4.250 17689 2499 1 16 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.696 0.515 17689 2500 1 16 . 1 1 51 51 ARG H H 51 9.503 9.503 8.960 0.543 17689 2501 1 16 . 1 1 52 52 LEU N N 52 124.920 124.920 126.858 -1.938 17689 2502 1 16 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.433 -0.260 17689 2503 1 16 . 1 1 52 52 LEU H H 52 8.658 8.658 8.552 0.106 17689 2504 1 16 . 1 1 53 53 ASP N N 53 124.020 124.020 126.031 -2.011 17689 2505 1 16 . 1 1 53 53 ASP HA H 53 5.448 5.448 5.034 0.414 17689 2506 1 16 . 1 1 53 53 ASP H H 53 8.773 8.773 8.759 0.014 17689 2507 1 16 . 1 1 54 54 LYS N N 54 126.280 126.280 122.310 3.970 17689 2508 1 16 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.235 0.558 17689 2509 1 16 . 1 1 54 54 LYS H H 54 8.762 8.762 8.314 0.448 17689 2510 1 16 . 1 1 55 55 VAL N N 55 128.630 128.630 118.307 10.323 17689 2511 1 16 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.304 -0.404 17689 2512 1 16 . 1 1 55 55 VAL H H 55 8.630 8.630 7.809 0.821 17689 2513 1 17 . 1 1 2 2 VAL N N 2 122.900 122.900 123.883 -0.983 17689 2514 1 17 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.109 0.054 17689 2515 1 17 . 1 1 2 2 VAL H H 2 8.565 8.565 8.321 0.244 17689 2516 1 17 . 1 1 3 3 GLN N N 3 123.880 123.880 124.494 -0.614 17689 2517 1 17 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.202 0.118 17689 2518 1 17 . 1 1 3 3 GLN H H 3 8.473 8.473 8.492 -0.019 17689 2519 1 17 . 1 1 4 4 ASN N N 4 119.910 119.910 122.716 -2.806 17689 2520 1 17 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.645 0.005 17689 2521 1 17 . 1 1 4 4 ASN H H 4 8.381 8.381 8.629 -0.248 17689 2522 1 17 . 1 1 5 5 ASP N N 5 119.700 119.700 118.851 0.849 17689 2523 1 17 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.537 0.031 17689 2524 1 17 . 1 1 5 5 ASP H H 5 8.238 8.238 8.070 0.168 17689 2525 1 17 . 1 1 6 6 PHE N N 6 119.540 119.540 115.746 3.794 17689 2526 1 17 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.119 0.544 17689 2527 1 17 . 1 1 6 6 PHE H H 6 8.025 8.025 7.730 0.295 17689 2528 1 17 . 1 1 7 7 VAL N N 7 120.550 120.550 119.724 0.826 17689 2529 1 17 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.853 0.305 17689 2530 1 17 . 1 1 7 7 VAL H H 7 7.985 7.985 7.935 0.050 17689 2531 1 17 . 1 1 8 8 ASP N N 8 123.470 123.470 127.263 -3.793 17689 2532 1 17 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.816 -0.193 17689 2533 1 17 . 1 1 8 8 ASP H H 8 8.205 8.205 8.365 -0.160 17689 2534 1 17 . 1 1 9 9 SER N N 9 116.500 116.500 113.383 3.117 17689 2535 1 17 . 1 1 9 9 SER HA H 9 4.785 4.785 4.559 0.226 17689 2536 1 17 . 1 1 9 9 SER H H 9 8.337 8.337 7.989 0.348 17689 2537 1 17 . 1 1 10 10 TYR N N 10 120.450 120.450 120.036 0.414 17689 2538 1 17 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.388 0.665 17689 2539 1 17 . 1 1 10 10 TYR H H 10 9.584 9.584 8.483 1.101 17689 2540 1 17 . 1 1 11 11 ASP N N 11 121.160 121.160 120.329 0.831 17689 2541 1 17 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.919 0.614 17689 2542 1 17 . 1 1 11 11 ASP H H 11 8.970 8.970 8.938 0.032 17689 2543 1 17 . 1 1 12 12 VAL N N 12 123.530 123.530 126.914 -3.384 17689 2544 1 17 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.944 0.349 17689 2545 1 17 . 1 1 12 12 VAL H H 12 9.182 9.182 8.909 0.273 17689 2546 1 17 . 1 1 13 13 THR N N 13 124.760 124.760 124.239 0.521 17689 2547 1 17 . 1 1 13 13 THR HA H 13 5.139 5.139 4.971 0.168 17689 2548 1 17 . 1 1 13 13 THR H H 13 9.172 9.172 9.134 0.038 17689 2549 1 17 . 1 1 14 14 MET N N 14 124.600 124.600 126.108 -1.508 17689 2550 1 17 . 1 1 14 14 MET HA H 14 5.216 5.216 5.267 -0.051 17689 2551 1 17 . 1 1 14 14 MET H H 14 9.172 9.172 9.293 -0.121 17689 2552 1 17 . 1 1 15 15 LEU N N 15 125.470 125.470 114.819 10.651 17689 2553 1 17 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.007 -0.566 17689 2554 1 17 . 1 1 15 15 LEU H H 15 8.934 8.934 8.633 0.301 17689 2555 1 17 . 1 1 16 16 LEU N N 16 129.120 129.120 118.253 10.867 17689 2556 1 17 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.696 0.489 17689 2557 1 17 . 1 1 16 16 LEU H H 16 8.674 8.674 8.462 0.212 17689 2558 1 17 . 1 1 17 17 GLN N N 17 118.200 118.200 118.584 -0.384 17689 2559 1 17 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.838 0.474 17689 2560 1 17 . 1 1 17 17 GLN H H 17 8.638 8.638 8.569 0.069 17689 2561 1 17 . 1 1 18 18 ASP N N 18 126.700 126.700 123.631 3.069 17689 2562 1 17 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.905 -0.097 17689 2563 1 17 . 1 1 18 18 ASP H H 18 8.877 8.877 9.023 -0.146 17689 2564 1 17 . 1 1 19 19 ASP N N 19 117.840 117.840 120.800 -2.960 17689 2565 1 17 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.283 0.171 17689 2566 1 17 . 1 1 19 19 ASP H H 19 8.775 8.775 8.677 0.098 17689 2567 1 17 . 1 1 20 20 ASP N N 20 118.400 118.400 120.441 -2.041 17689 2568 1 17 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.351 0.490 17689 2569 1 17 . 1 1 20 20 ASP H H 20 8.261 8.261 8.775 -0.514 17689 2570 1 17 . 1 1 21 21 GLY N N 21 108.270 108.270 103.426 4.844 17689 2571 1 17 . 1 1 21 21 GLY H H 21 8.188 8.188 7.962 0.226 17689 2572 1 17 . 1 1 22 22 LYS N N 22 123.480 123.480 123.086 0.394 17689 2573 1 17 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.133 0.172 17689 2574 1 17 . 1 1 22 22 LYS H H 22 8.433 8.433 7.795 0.638 17689 2575 1 17 . 1 1 23 23 GLN N N 23 122.260 122.260 126.779 -4.519 17689 2576 1 17 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.604 1.106 17689 2577 1 17 . 1 1 23 23 GLN H H 23 8.426 8.426 8.687 -0.261 17689 2578 1 17 . 1 1 24 24 TYR N N 24 120.420 120.420 122.778 -2.358 17689 2579 1 17 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.934 -0.030 17689 2580 1 17 . 1 1 24 24 TYR H H 24 8.927 8.927 8.674 0.253 17689 2581 1 17 . 1 1 25 25 TYR N N 25 118.880 118.880 120.326 -1.446 17689 2582 1 17 . 1 1 25 25 TYR HA H 25 5.384 5.384 5.075 0.309 17689 2583 1 17 . 1 1 25 25 TYR H H 25 8.654 8.654 8.764 -0.110 17689 2584 1 17 . 1 1 26 26 GLU N N 26 120.270 120.270 123.041 -2.771 17689 2585 1 17 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.820 -0.200 17689 2586 1 17 . 1 1 26 26 GLU H H 26 9.067 9.067 9.283 -0.216 17689 2587 1 17 . 1 1 27 27 TYR N N 27 123.610 123.610 121.546 2.064 17689 2588 1 17 . 1 1 27 27 TYR HA H 27 5.419 5.419 5.241 0.178 17689 2589 1 17 . 1 1 27 27 TYR H H 27 8.654 8.654 8.217 0.437 17689 2590 1 17 . 1 1 28 28 HIS N N 28 120.690 120.690 126.867 -6.177 17689 2591 1 17 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.791 0.067 17689 2592 1 17 . 1 1 28 28 HIS H H 28 9.114 9.114 9.266 -0.152 17689 2593 1 17 . 1 1 29 29 LYS N N 29 124.700 124.700 122.137 2.563 17689 2594 1 17 . 1 1 29 29 LYS HA H 29 4.961 4.961 5.075 -0.114 17689 2595 1 17 . 1 1 29 29 LYS H H 29 8.871 8.871 8.245 0.626 17689 2596 1 17 . 1 1 30 30 GLY N N 30 112.960 112.960 108.402 4.558 17689 2597 1 17 . 1 1 30 30 GLY H H 30 8.739 8.739 8.131 0.608 17689 2598 1 17 . 1 1 31 31 LEU N N 31 122.260 122.260 113.367 8.893 17689 2599 1 17 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.908 -0.126 17689 2600 1 17 . 1 1 31 31 LEU H H 31 9.349 9.349 7.711 1.638 17689 2601 1 17 . 1 1 32 32 SER N N 32 117.760 117.760 113.290 4.470 17689 2602 1 17 . 1 1 32 32 SER HA H 32 5.053 5.053 4.878 0.175 17689 2603 1 17 . 1 1 32 32 SER H H 32 8.993 8.993 8.563 0.430 17689 2604 1 17 . 1 1 33 33 LEU N N 33 122.480 122.480 121.266 1.214 17689 2605 1 17 . 1 1 33 33 LEU HA H 33 4.101 4.101 3.925 0.176 17689 2606 1 17 . 1 1 33 33 LEU H H 33 9.582 9.582 8.541 1.041 17689 2607 1 17 . 1 1 34 34 SER N N 34 113.790 113.790 113.637 0.153 17689 2608 1 17 . 1 1 34 34 SER HA H 34 4.210 4.210 4.196 0.014 17689 2609 1 17 . 1 1 34 34 SER H H 34 8.324 8.324 8.301 0.023 17689 2610 1 17 . 1 1 35 35 ASP N N 35 121.960 121.960 122.487 -0.527 17689 2611 1 17 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.589 -0.146 17689 2612 1 17 . 1 1 35 35 ASP H H 35 7.938 7.938 7.714 0.224 17689 2613 1 17 . 1 1 36 36 PHE N N 36 122.350 122.350 122.124 0.226 17689 2614 1 17 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.096 0.004 17689 2615 1 17 . 1 1 36 36 PHE H H 36 8.649 8.649 8.605 0.044 17689 2616 1 17 . 1 1 37 37 GLU N N 37 120.010 120.010 118.594 1.416 17689 2617 1 17 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.596 -0.308 17689 2618 1 17 . 1 1 37 37 GLU H H 37 8.169 8.169 8.102 0.067 17689 2619 1 17 . 1 1 38 38 VAL N N 38 119.850 119.850 119.543 0.307 17689 2620 1 17 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.681 -0.119 17689 2621 1 17 . 1 1 38 38 VAL H H 38 7.404 7.404 7.262 0.142 17689 2622 1 17 . 1 1 39 39 LEU N N 39 121.490 121.490 121.702 -0.212 17689 2623 1 17 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.941 0.017 17689 2624 1 17 . 1 1 39 39 LEU H H 39 7.593 7.593 7.581 0.012 17689 2625 1 17 . 1 1 40 40 TYR N N 40 120.440 120.440 119.968 0.472 17689 2626 1 17 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.156 -0.509 17689 2627 1 17 . 1 1 40 40 TYR H H 40 8.743 8.743 8.693 0.050 17689 2628 1 17 . 1 1 41 41 GLY N N 41 105.790 105.790 105.489 0.301 17689 2629 1 17 . 1 1 41 41 GLY H H 41 7.678 7.678 8.292 -0.614 17689 2630 1 17 . 1 1 42 42 ASN N N 42 116.630 116.630 117.657 -1.027 17689 2631 1 17 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.783 0.007 17689 2632 1 17 . 1 1 42 42 ASN H H 42 7.370 7.370 7.730 -0.360 17689 2633 1 17 . 1 1 43 43 THR N N 43 117.900 117.900 113.825 4.075 17689 2634 1 17 . 1 1 43 43 THR HA H 43 4.052 4.052 4.539 -0.487 17689 2635 1 17 . 1 1 43 43 THR H H 43 7.271 7.271 8.403 -1.132 17689 2636 1 17 . 1 1 44 44 ALA HA H 44 4.303 4.303 4.266 0.037 17689 2637 1 17 . 1 1 44 44 ALA H H 44 8.500 8.500 7.577 0.923 17689 2638 1 17 . 1 1 45 45 ASP N N 45 117.770 117.770 120.087 -2.317 17689 2639 1 17 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.357 0.520 17689 2640 1 17 . 1 1 45 45 ASP H H 45 7.403 7.403 7.747 -0.344 17689 2641 1 17 . 1 1 46 46 GLU N N 46 118.810 118.810 121.371 -2.561 17689 2642 1 17 . 1 1 46 46 GLU HA H 46 4.068 4.068 3.966 0.102 17689 2643 1 17 . 1 1 46 46 GLU H H 46 7.704 7.704 8.720 -1.016 17689 2644 1 17 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.691 0.199 17689 2645 1 17 . 1 1 47 47 ILE H H 47 8.530 8.530 7.662 0.868 17689 2646 1 17 . 1 1 48 48 ILE N N 48 129.130 129.130 124.483 4.647 17689 2647 1 17 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.373 -0.051 17689 2648 1 17 . 1 1 48 48 ILE H H 48 9.177 9.177 8.240 0.937 17689 2649 1 17 . 1 1 49 49 LYS N N 49 115.080 115.080 118.867 -3.787 17689 2650 1 17 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.653 0.661 17689 2651 1 17 . 1 1 49 49 LYS H H 49 7.964 7.964 7.697 0.267 17689 2652 1 17 . 1 1 50 50 LEU N N 50 122.010 122.010 121.099 0.911 17689 2653 1 17 . 1 1 50 50 LEU HA H 50 5.213 5.213 4.954 0.259 17689 2654 1 17 . 1 1 50 50 LEU H H 50 9.012 9.012 8.536 0.476 17689 2655 1 17 . 1 1 51 51 ARG N N 51 127.740 127.740 126.820 0.920 17689 2656 1 17 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.790 0.421 17689 2657 1 17 . 1 1 51 51 ARG H H 51 9.503 9.503 8.918 0.585 17689 2658 1 17 . 1 1 52 52 LEU N N 52 124.920 124.920 125.054 -0.134 17689 2659 1 17 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.290 -0.117 17689 2660 1 17 . 1 1 52 52 LEU H H 52 8.658 8.658 8.499 0.159 17689 2661 1 17 . 1 1 53 53 ASP N N 53 124.020 124.020 124.268 -0.248 17689 2662 1 17 . 1 1 53 53 ASP HA H 53 5.448 5.448 5.024 0.424 17689 2663 1 17 . 1 1 53 53 ASP H H 53 8.773 8.773 8.784 -0.011 17689 2664 1 17 . 1 1 54 54 LYS N N 54 126.280 126.280 123.197 3.083 17689 2665 1 17 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.737 0.056 17689 2666 1 17 . 1 1 54 54 LYS H H 54 8.762 8.762 8.394 0.368 17689 2667 1 17 . 1 1 55 55 VAL N N 55 128.630 128.630 118.702 9.928 17689 2668 1 17 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.577 -0.677 17689 2669 1 17 . 1 1 55 55 VAL H H 55 8.630 8.630 7.657 0.973 17689 2670 1 18 . 1 1 2 2 VAL N N 2 122.900 122.900 119.419 3.481 17689 2671 1 18 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.403 -0.240 17689 2672 1 18 . 1 1 2 2 VAL H H 2 8.565 8.565 7.854 0.711 17689 2673 1 18 . 1 1 3 3 GLN N N 3 123.880 123.880 121.970 1.910 17689 2674 1 18 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.027 0.293 17689 2675 1 18 . 1 1 3 3 GLN H H 3 8.473 8.473 8.565 -0.092 17689 2676 1 18 . 1 1 4 4 ASN N N 4 119.910 119.910 124.870 -4.960 17689 2677 1 18 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.792 -0.142 17689 2678 1 18 . 1 1 4 4 ASN H H 4 8.381 8.381 8.748 -0.367 17689 2679 1 18 . 1 1 5 5 ASP N N 5 119.700 119.700 118.831 0.869 17689 2680 1 18 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.687 -0.119 17689 2681 1 18 . 1 1 5 5 ASP H H 5 8.238 8.238 8.083 0.155 17689 2682 1 18 . 1 1 6 6 PHE N N 6 119.540 119.540 116.947 2.593 17689 2683 1 18 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.017 0.646 17689 2684 1 18 . 1 1 6 6 PHE H H 6 8.025 8.025 7.968 0.057 17689 2685 1 18 . 1 1 7 7 VAL N N 7 120.550 120.550 120.444 0.106 17689 2686 1 18 . 1 1 7 7 VAL HA H 7 4.158 4.158 4.000 0.158 17689 2687 1 18 . 1 1 7 7 VAL H H 7 7.985 7.985 7.624 0.361 17689 2688 1 18 . 1 1 8 8 ASP N N 8 123.470 123.470 126.441 -2.971 17689 2689 1 18 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.700 -0.077 17689 2690 1 18 . 1 1 8 8 ASP H H 8 8.205 8.205 8.145 0.060 17689 2691 1 18 . 1 1 9 9 SER N N 9 116.500 116.500 114.213 2.287 17689 2692 1 18 . 1 1 9 9 SER HA H 9 4.785 4.785 4.596 0.189 17689 2693 1 18 . 1 1 9 9 SER H H 9 8.337 8.337 7.507 0.830 17689 2694 1 18 . 1 1 10 10 TYR N N 10 120.450 120.450 120.410 0.040 17689 2695 1 18 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.275 0.778 17689 2696 1 18 . 1 1 10 10 TYR H H 10 9.584 9.584 8.410 1.174 17689 2697 1 18 . 1 1 11 11 ASP N N 11 121.160 121.160 120.885 0.275 17689 2698 1 18 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.797 0.736 17689 2699 1 18 . 1 1 11 11 ASP H H 11 8.970 8.970 8.974 -0.004 17689 2700 1 18 . 1 1 12 12 VAL N N 12 123.530 123.530 126.129 -2.599 17689 2701 1 18 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.519 0.774 17689 2702 1 18 . 1 1 12 12 VAL H H 12 9.182 9.182 8.501 0.681 17689 2703 1 18 . 1 1 13 13 THR N N 13 124.760 124.760 124.397 0.363 17689 2704 1 18 . 1 1 13 13 THR HA H 13 5.139 5.139 4.356 0.783 17689 2705 1 18 . 1 1 13 13 THR H H 13 9.172 9.172 9.104 0.068 17689 2706 1 18 . 1 1 14 14 MET N N 14 124.600 124.600 127.452 -2.852 17689 2707 1 18 . 1 1 14 14 MET HA H 14 5.216 5.216 5.386 -0.170 17689 2708 1 18 . 1 1 14 14 MET H H 14 9.172 9.172 8.796 0.376 17689 2709 1 18 . 1 1 15 15 LEU N N 15 125.470 125.470 119.634 5.836 17689 2710 1 18 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.344 -0.903 17689 2711 1 18 . 1 1 15 15 LEU H H 15 8.934 8.934 8.796 0.138 17689 2712 1 18 . 1 1 16 16 LEU N N 16 129.120 129.120 120.079 9.041 17689 2713 1 18 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.776 0.409 17689 2714 1 18 . 1 1 16 16 LEU H H 16 8.674 8.674 8.536 0.138 17689 2715 1 18 . 1 1 17 17 GLN N N 17 118.200 118.200 121.236 -3.036 17689 2716 1 18 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.379 0.933 17689 2717 1 18 . 1 1 17 17 GLN H H 17 8.638 8.638 8.511 0.127 17689 2718 1 18 . 1 1 18 18 ASP N N 18 126.700 126.700 127.005 -0.305 17689 2719 1 18 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.675 0.133 17689 2720 1 18 . 1 1 18 18 ASP H H 18 8.877 8.877 9.113 -0.236 17689 2721 1 18 . 1 1 19 19 ASP N N 19 117.840 117.840 122.203 -4.363 17689 2722 1 18 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.406 0.048 17689 2723 1 18 . 1 1 19 19 ASP H H 19 8.775 8.775 8.675 0.100 17689 2724 1 18 . 1 1 20 20 ASP N N 20 118.400 118.400 116.985 1.415 17689 2725 1 18 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.610 0.231 17689 2726 1 18 . 1 1 20 20 ASP H H 20 8.261 8.261 8.534 -0.273 17689 2727 1 18 . 1 1 21 21 GLY N N 21 108.270 108.270 106.310 1.960 17689 2728 1 18 . 1 1 21 21 GLY H H 21 8.188 8.188 7.934 0.254 17689 2729 1 18 . 1 1 22 22 LYS N N 22 123.480 123.480 120.830 2.650 17689 2730 1 18 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.480 -0.175 17689 2731 1 18 . 1 1 22 22 LYS H H 22 8.433 8.433 7.880 0.553 17689 2732 1 18 . 1 1 23 23 GLN N N 23 122.260 122.260 122.694 -0.434 17689 2733 1 18 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.600 1.110 17689 2734 1 18 . 1 1 23 23 GLN H H 23 8.426 8.426 8.702 -0.276 17689 2735 1 18 . 1 1 24 24 TYR N N 24 120.420 120.420 123.776 -3.356 17689 2736 1 18 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.879 0.025 17689 2737 1 18 . 1 1 24 24 TYR H H 24 8.927 8.927 9.156 -0.229 17689 2738 1 18 . 1 1 25 25 TYR N N 25 118.880 118.880 126.931 -8.051 17689 2739 1 18 . 1 1 25 25 TYR HA H 25 5.384 5.384 4.909 0.475 17689 2740 1 18 . 1 1 25 25 TYR H H 25 8.654 8.654 8.796 -0.142 17689 2741 1 18 . 1 1 26 26 GLU N N 26 120.270 120.270 128.575 -8.305 17689 2742 1 18 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.507 0.113 17689 2743 1 18 . 1 1 26 26 GLU H H 26 9.067 9.067 8.720 0.347 17689 2744 1 18 . 1 1 27 27 TYR N N 27 123.610 123.610 123.859 -0.249 17689 2745 1 18 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.303 1.116 17689 2746 1 18 . 1 1 27 27 TYR H H 27 8.654 8.654 8.460 0.194 17689 2747 1 18 . 1 1 28 28 HIS N N 28 120.690 120.690 124.704 -4.014 17689 2748 1 18 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.901 -0.043 17689 2749 1 18 . 1 1 28 28 HIS H H 28 9.114 9.114 8.500 0.614 17689 2750 1 18 . 1 1 29 29 LYS N N 29 124.700 124.700 120.476 4.224 17689 2751 1 18 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.944 0.017 17689 2752 1 18 . 1 1 29 29 LYS H H 29 8.871 8.871 7.935 0.936 17689 2753 1 18 . 1 1 30 30 GLY N N 30 112.960 112.960 108.750 4.210 17689 2754 1 18 . 1 1 30 30 GLY H H 30 8.739 8.739 8.014 0.725 17689 2755 1 18 . 1 1 31 31 LEU N N 31 122.260 122.260 113.543 8.717 17689 2756 1 18 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.862 -0.080 17689 2757 1 18 . 1 1 31 31 LEU H H 31 9.349 9.349 7.582 1.767 17689 2758 1 18 . 1 1 32 32 SER N N 32 117.760 117.760 113.160 4.600 17689 2759 1 18 . 1 1 32 32 SER HA H 32 5.053 5.053 4.873 0.180 17689 2760 1 18 . 1 1 32 32 SER H H 32 8.993 8.993 9.082 -0.089 17689 2761 1 18 . 1 1 33 33 LEU N N 33 122.480 122.480 121.724 0.756 17689 2762 1 18 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.380 -0.279 17689 2763 1 18 . 1 1 33 33 LEU H H 33 9.582 9.582 8.738 0.844 17689 2764 1 18 . 1 1 34 34 SER N N 34 113.790 113.790 113.498 0.292 17689 2765 1 18 . 1 1 34 34 SER HA H 34 4.210 4.210 4.283 -0.073 17689 2766 1 18 . 1 1 34 34 SER H H 34 8.324 8.324 7.894 0.430 17689 2767 1 18 . 1 1 35 35 ASP N N 35 121.960 121.960 123.500 -1.540 17689 2768 1 18 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.524 -0.081 17689 2769 1 18 . 1 1 35 35 ASP H H 35 7.938 7.938 7.559 0.379 17689 2770 1 18 . 1 1 36 36 PHE N N 36 122.350 122.350 121.584 0.766 17689 2771 1 18 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.113 -0.013 17689 2772 1 18 . 1 1 36 36 PHE H H 36 8.649 8.649 8.762 -0.113 17689 2773 1 18 . 1 1 37 37 GLU N N 37 120.010 120.010 119.351 0.659 17689 2774 1 18 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.631 -0.343 17689 2775 1 18 . 1 1 37 37 GLU H H 37 8.169 8.169 7.802 0.367 17689 2776 1 18 . 1 1 38 38 VAL N N 38 119.850 119.850 119.690 0.160 17689 2777 1 18 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.609 -0.047 17689 2778 1 18 . 1 1 38 38 VAL H H 38 7.404 7.404 7.224 0.180 17689 2779 1 18 . 1 1 39 39 LEU N N 39 121.490 121.490 121.116 0.374 17689 2780 1 18 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.817 0.141 17689 2781 1 18 . 1 1 39 39 LEU H H 39 7.593 7.593 7.869 -0.276 17689 2782 1 18 . 1 1 40 40 TYR N N 40 120.440 120.440 118.818 1.622 17689 2783 1 18 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.044 -0.397 17689 2784 1 18 . 1 1 40 40 TYR H H 40 8.743 8.743 8.581 0.162 17689 2785 1 18 . 1 1 41 41 GLY N N 41 105.790 105.790 105.495 0.295 17689 2786 1 18 . 1 1 41 41 GLY H H 41 7.678 7.678 8.264 -0.586 17689 2787 1 18 . 1 1 42 42 ASN N N 42 116.630 116.630 117.190 -0.560 17689 2788 1 18 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.827 -0.037 17689 2789 1 18 . 1 1 42 42 ASN H H 42 7.370 7.370 7.651 -0.281 17689 2790 1 18 . 1 1 43 43 THR N N 43 117.900 117.900 114.750 3.150 17689 2791 1 18 . 1 1 43 43 THR HA H 43 4.052 4.052 4.037 0.015 17689 2792 1 18 . 1 1 43 43 THR H H 43 7.271 7.271 7.504 -0.233 17689 2793 1 18 . 1 1 44 44 ALA HA H 44 4.303 4.303 3.926 0.377 17689 2794 1 18 . 1 1 44 44 ALA H H 44 8.500 8.500 8.529 -0.029 17689 2795 1 18 . 1 1 45 45 ASP N N 45 117.770 117.770 117.552 0.218 17689 2796 1 18 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.861 0.016 17689 2797 1 18 . 1 1 45 45 ASP H H 45 7.403 7.403 7.891 -0.488 17689 2798 1 18 . 1 1 46 46 GLU N N 46 118.810 118.810 121.654 -2.844 17689 2799 1 18 . 1 1 46 46 GLU HA H 46 4.068 4.068 4.198 -0.130 17689 2800 1 18 . 1 1 46 46 GLU H H 46 7.704 7.704 8.750 -1.046 17689 2801 1 18 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.932 -0.042 17689 2802 1 18 . 1 1 47 47 ILE H H 47 8.530 8.530 8.260 0.270 17689 2803 1 18 . 1 1 48 48 ILE N N 48 129.130 129.130 128.917 0.213 17689 2804 1 18 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.442 -0.120 17689 2805 1 18 . 1 1 48 48 ILE H H 48 9.177 9.177 8.447 0.730 17689 2806 1 18 . 1 1 49 49 LYS N N 49 115.080 115.080 120.314 -5.234 17689 2807 1 18 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.615 0.699 17689 2808 1 18 . 1 1 49 49 LYS H H 49 7.964 7.964 7.724 0.240 17689 2809 1 18 . 1 1 50 50 LEU N N 50 122.010 122.010 125.012 -3.002 17689 2810 1 18 . 1 1 50 50 LEU HA H 50 5.213 5.213 4.821 0.392 17689 2811 1 18 . 1 1 50 50 LEU H H 50 9.012 9.012 8.725 0.287 17689 2812 1 18 . 1 1 51 51 ARG N N 51 127.740 127.740 128.137 -0.397 17689 2813 1 18 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.741 0.470 17689 2814 1 18 . 1 1 51 51 ARG H H 51 9.503 9.503 9.040 0.463 17689 2815 1 18 . 1 1 52 52 LEU N N 52 124.920 124.920 126.727 -1.807 17689 2816 1 18 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.000 0.173 17689 2817 1 18 . 1 1 52 52 LEU H H 52 8.658 8.658 8.585 0.073 17689 2818 1 18 . 1 1 53 53 ASP N N 53 124.020 124.020 126.005 -1.985 17689 2819 1 18 . 1 1 53 53 ASP HA H 53 5.448 5.448 4.908 0.540 17689 2820 1 18 . 1 1 53 53 ASP H H 53 8.773 8.773 8.832 -0.059 17689 2821 1 18 . 1 1 54 54 LYS N N 54 126.280 126.280 125.322 0.958 17689 2822 1 18 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.602 0.191 17689 2823 1 18 . 1 1 54 54 LYS H H 54 8.762 8.762 8.231 0.531 17689 2824 1 18 . 1 1 55 55 VAL N N 55 128.630 128.630 119.050 9.580 17689 2825 1 18 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.129 -0.229 17689 2826 1 18 . 1 1 55 55 VAL H H 55 8.630 8.630 7.617 1.013 17689 2827 1 19 . 1 1 2 2 VAL N N 2 122.900 122.900 118.606 4.294 17689 2828 1 19 . 1 1 2 2 VAL HA H 2 4.163 4.163 3.651 0.512 17689 2829 1 19 . 1 1 2 2 VAL H H 2 8.565 8.565 8.642 -0.077 17689 2830 1 19 . 1 1 3 3 GLN N N 3 123.880 123.880 121.563 2.317 17689 2831 1 19 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.246 0.074 17689 2832 1 19 . 1 1 3 3 GLN H H 3 8.473 8.473 8.644 -0.171 17689 2833 1 19 . 1 1 4 4 ASN N N 4 119.910 119.910 118.479 1.431 17689 2834 1 19 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.609 0.041 17689 2835 1 19 . 1 1 4 4 ASN H H 4 8.381 8.381 8.202 0.179 17689 2836 1 19 . 1 1 5 5 ASP N N 5 119.700 119.700 116.707 2.993 17689 2837 1 19 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.608 -0.040 17689 2838 1 19 . 1 1 5 5 ASP H H 5 8.238 8.238 7.857 0.381 17689 2839 1 19 . 1 1 6 6 PHE N N 6 119.540 119.540 120.253 -0.713 17689 2840 1 19 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.879 -0.216 17689 2841 1 19 . 1 1 6 6 PHE H H 6 8.025 8.025 8.057 -0.032 17689 2842 1 19 . 1 1 7 7 VAL N N 7 120.550 120.550 122.354 -1.804 17689 2843 1 19 . 1 1 7 7 VAL HA H 7 4.158 4.158 4.004 0.154 17689 2844 1 19 . 1 1 7 7 VAL H H 7 7.985 7.985 8.249 -0.264 17689 2845 1 19 . 1 1 8 8 ASP N N 8 123.470 123.470 124.820 -1.350 17689 2846 1 19 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.549 0.074 17689 2847 1 19 . 1 1 8 8 ASP H H 8 8.205 8.205 8.519 -0.314 17689 2848 1 19 . 1 1 9 9 SER N N 9 116.500 116.500 115.337 1.163 17689 2849 1 19 . 1 1 9 9 SER HA H 9 4.785 4.785 4.568 0.217 17689 2850 1 19 . 1 1 9 9 SER H H 9 8.337 8.337 8.307 0.030 17689 2851 1 19 . 1 1 10 10 TYR N N 10 120.450 120.450 119.660 0.790 17689 2852 1 19 . 1 1 10 10 TYR HA H 10 5.053 5.053 5.158 -0.105 17689 2853 1 19 . 1 1 10 10 TYR H H 10 9.584 9.584 9.189 0.395 17689 2854 1 19 . 1 1 11 11 ASP N N 11 121.160 121.160 119.144 2.016 17689 2855 1 19 . 1 1 11 11 ASP HA H 11 5.533 5.533 5.423 0.110 17689 2856 1 19 . 1 1 11 11 ASP H H 11 8.970 8.970 8.870 0.100 17689 2857 1 19 . 1 1 12 12 VAL N N 12 123.530 123.530 124.245 -0.715 17689 2858 1 19 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.508 0.785 17689 2859 1 19 . 1 1 12 12 VAL H H 12 9.182 9.182 8.456 0.726 17689 2860 1 19 . 1 1 13 13 THR N N 13 124.760 124.760 124.887 -0.127 17689 2861 1 19 . 1 1 13 13 THR HA H 13 5.139 5.139 4.601 0.538 17689 2862 1 19 . 1 1 13 13 THR H H 13 9.172 9.172 9.051 0.121 17689 2863 1 19 . 1 1 14 14 MET N N 14 124.600 124.600 128.609 -4.009 17689 2864 1 19 . 1 1 14 14 MET HA H 14 5.216 5.216 5.222 -0.006 17689 2865 1 19 . 1 1 14 14 MET H H 14 9.172 9.172 9.403 -0.231 17689 2866 1 19 . 1 1 15 15 LEU N N 15 125.470 125.470 124.791 0.679 17689 2867 1 19 . 1 1 15 15 LEU HA H 15 4.441 4.441 4.954 -0.513 17689 2868 1 19 . 1 1 15 15 LEU H H 15 8.934 8.934 8.898 0.036 17689 2869 1 19 . 1 1 16 16 LEU N N 16 129.120 129.120 124.087 5.033 17689 2870 1 19 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.738 0.447 17689 2871 1 19 . 1 1 16 16 LEU H H 16 8.674 8.674 8.184 0.490 17689 2872 1 19 . 1 1 17 17 GLN N N 17 118.200 118.200 117.827 0.373 17689 2873 1 19 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.786 0.526 17689 2874 1 19 . 1 1 17 17 GLN H H 17 8.638 8.638 8.447 0.191 17689 2875 1 19 . 1 1 18 18 ASP N N 18 126.700 126.700 123.649 3.051 17689 2876 1 19 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.932 -0.124 17689 2877 1 19 . 1 1 18 18 ASP H H 18 8.877 8.877 8.509 0.368 17689 2878 1 19 . 1 1 19 19 ASP N N 19 117.840 117.840 120.109 -2.269 17689 2879 1 19 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.242 0.212 17689 2880 1 19 . 1 1 19 19 ASP H H 19 8.775 8.775 8.665 0.110 17689 2881 1 19 . 1 1 20 20 ASP N N 20 118.400 118.400 119.640 -1.240 17689 2882 1 19 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.306 0.535 17689 2883 1 19 . 1 1 20 20 ASP H H 20 8.261 8.261 8.757 -0.496 17689 2884 1 19 . 1 1 21 21 GLY N N 21 108.270 108.270 104.387 3.883 17689 2885 1 19 . 1 1 21 21 GLY H H 21 8.188 8.188 7.897 0.291 17689 2886 1 19 . 1 1 22 22 LYS N N 22 123.480 123.480 122.827 0.653 17689 2887 1 19 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.128 0.177 17689 2888 1 19 . 1 1 22 22 LYS H H 22 8.433 8.433 8.237 0.196 17689 2889 1 19 . 1 1 23 23 GLN N N 23 122.260 122.260 124.441 -2.181 17689 2890 1 19 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.834 0.876 17689 2891 1 19 . 1 1 23 23 GLN H H 23 8.426 8.426 8.480 -0.054 17689 2892 1 19 . 1 1 24 24 TYR N N 24 120.420 120.420 120.543 -0.123 17689 2893 1 19 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.925 -0.021 17689 2894 1 19 . 1 1 24 24 TYR H H 24 8.927 8.927 8.865 0.062 17689 2895 1 19 . 1 1 25 25 TYR N N 25 118.880 118.880 124.063 -5.183 17689 2896 1 19 . 1 1 25 25 TYR HA H 25 5.384 5.384 4.874 0.510 17689 2897 1 19 . 1 1 25 25 TYR H H 25 8.654 8.654 8.909 -0.255 17689 2898 1 19 . 1 1 26 26 GLU N N 26 120.270 120.270 119.835 0.435 17689 2899 1 19 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.546 0.074 17689 2900 1 19 . 1 1 26 26 GLU H H 26 9.067 9.067 9.000 0.067 17689 2901 1 19 . 1 1 27 27 TYR N N 27 123.610 123.610 120.841 2.769 17689 2902 1 19 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.697 0.722 17689 2903 1 19 . 1 1 27 27 TYR H H 27 8.654 8.654 8.978 -0.324 17689 2904 1 19 . 1 1 28 28 HIS N N 28 120.690 120.690 124.134 -3.444 17689 2905 1 19 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.759 0.099 17689 2906 1 19 . 1 1 28 28 HIS H H 28 9.114 9.114 8.954 0.160 17689 2907 1 19 . 1 1 29 29 LYS N N 29 124.700 124.700 121.678 3.022 17689 2908 1 19 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.115 0.846 17689 2909 1 19 . 1 1 29 29 LYS H H 29 8.871 8.871 8.370 0.501 17689 2910 1 19 . 1 1 30 30 GLY N N 30 112.960 112.960 107.768 5.192 17689 2911 1 19 . 1 1 30 30 GLY H H 30 8.739 8.739 8.524 0.215 17689 2912 1 19 . 1 1 31 31 LEU N N 31 122.260 122.260 119.040 3.220 17689 2913 1 19 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.753 0.029 17689 2914 1 19 . 1 1 31 31 LEU H H 31 9.349 9.349 8.318 1.031 17689 2915 1 19 . 1 1 32 32 SER N N 32 117.760 117.760 114.665 3.095 17689 2916 1 19 . 1 1 32 32 SER HA H 32 5.053 5.053 4.950 0.103 17689 2917 1 19 . 1 1 32 32 SER H H 32 8.993 8.993 8.512 0.481 17689 2918 1 19 . 1 1 33 33 LEU N N 33 122.480 122.480 121.356 1.124 17689 2919 1 19 . 1 1 33 33 LEU HA H 33 4.101 4.101 3.963 0.138 17689 2920 1 19 . 1 1 33 33 LEU H H 33 9.582 9.582 8.569 1.013 17689 2921 1 19 . 1 1 34 34 SER N N 34 113.790 113.790 114.140 -0.350 17689 2922 1 19 . 1 1 34 34 SER HA H 34 4.210 4.210 4.202 0.008 17689 2923 1 19 . 1 1 34 34 SER H H 34 8.324 8.324 8.184 0.140 17689 2924 1 19 . 1 1 35 35 ASP N N 35 121.960 121.960 122.495 -0.535 17689 2925 1 19 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.620 -0.177 17689 2926 1 19 . 1 1 35 35 ASP H H 35 7.938 7.938 7.645 0.293 17689 2927 1 19 . 1 1 36 36 PHE N N 36 122.350 122.350 122.243 0.107 17689 2928 1 19 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.080 0.020 17689 2929 1 19 . 1 1 36 36 PHE H H 36 8.649 8.649 8.689 -0.040 17689 2930 1 19 . 1 1 37 37 GLU N N 37 120.010 120.010 118.676 1.334 17689 2931 1 19 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.741 -0.453 17689 2932 1 19 . 1 1 37 37 GLU H H 37 8.169 8.169 8.348 -0.179 17689 2933 1 19 . 1 1 38 38 VAL N N 38 119.850 119.850 119.705 0.145 17689 2934 1 19 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.678 -0.116 17689 2935 1 19 . 1 1 38 38 VAL H H 38 7.404 7.404 7.262 0.142 17689 2936 1 19 . 1 1 39 39 LEU N N 39 121.490 121.490 121.742 -0.252 17689 2937 1 19 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.947 0.011 17689 2938 1 19 . 1 1 39 39 LEU H H 39 7.593 7.593 7.892 -0.299 17689 2939 1 19 . 1 1 40 40 TYR N N 40 120.440 120.440 119.692 0.748 17689 2940 1 19 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.137 -0.490 17689 2941 1 19 . 1 1 40 40 TYR H H 40 8.743 8.743 8.610 0.133 17689 2942 1 19 . 1 1 41 41 GLY N N 41 105.790 105.790 105.266 0.524 17689 2943 1 19 . 1 1 41 41 GLY H H 41 7.678 7.678 7.886 -0.208 17689 2944 1 19 . 1 1 42 42 ASN N N 42 116.630 116.630 117.302 -0.672 17689 2945 1 19 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.829 -0.039 17689 2946 1 19 . 1 1 42 42 ASN H H 42 7.370 7.370 8.106 -0.736 17689 2947 1 19 . 1 1 43 43 THR N N 43 117.900 117.900 114.994 2.906 17689 2948 1 19 . 1 1 43 43 THR HA H 43 4.052 4.052 4.446 -0.394 17689 2949 1 19 . 1 1 43 43 THR H H 43 7.271 7.271 8.235 -0.964 17689 2950 1 19 . 1 1 44 44 ALA HA H 44 4.303 4.303 4.259 0.044 17689 2951 1 19 . 1 1 44 44 ALA H H 44 8.500 8.500 7.810 0.690 17689 2952 1 19 . 1 1 45 45 ASP N N 45 117.770 117.770 120.977 -3.207 17689 2953 1 19 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.396 0.481 17689 2954 1 19 . 1 1 45 45 ASP H H 45 7.403 7.403 8.063 -0.660 17689 2955 1 19 . 1 1 46 46 GLU N N 46 118.810 118.810 118.286 0.524 17689 2956 1 19 . 1 1 46 46 GLU HA H 46 4.068 4.068 4.545 -0.477 17689 2957 1 19 . 1 1 46 46 GLU H H 46 7.704 7.704 8.340 -0.636 17689 2958 1 19 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.819 0.071 17689 2959 1 19 . 1 1 47 47 ILE H H 47 8.530 8.530 7.589 0.941 17689 2960 1 19 . 1 1 48 48 ILE N N 48 129.130 129.130 128.517 0.613 17689 2961 1 19 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.224 0.098 17689 2962 1 19 . 1 1 48 48 ILE H H 48 9.177 9.177 8.806 0.371 17689 2963 1 19 . 1 1 49 49 LYS N N 49 115.080 115.080 117.865 -2.785 17689 2964 1 19 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.663 0.651 17689 2965 1 19 . 1 1 49 49 LYS H H 49 7.964 7.964 7.629 0.335 17689 2966 1 19 . 1 1 50 50 LEU N N 50 122.010 122.010 119.021 2.989 17689 2967 1 19 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.527 -0.314 17689 2968 1 19 . 1 1 50 50 LEU H H 50 9.012 9.012 8.257 0.755 17689 2969 1 19 . 1 1 51 51 ARG N N 51 127.740 127.740 123.766 3.974 17689 2970 1 19 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.710 0.501 17689 2971 1 19 . 1 1 51 51 ARG H H 51 9.503 9.503 9.010 0.493 17689 2972 1 19 . 1 1 52 52 LEU N N 52 124.920 124.920 127.362 -2.442 17689 2973 1 19 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.306 -0.133 17689 2974 1 19 . 1 1 52 52 LEU H H 52 8.658 8.658 8.478 0.180 17689 2975 1 19 . 1 1 53 53 ASP N N 53 124.020 124.020 124.738 -0.718 17689 2976 1 19 . 1 1 53 53 ASP HA H 53 5.448 5.448 4.960 0.488 17689 2977 1 19 . 1 1 53 53 ASP H H 53 8.773 8.773 8.772 0.001 17689 2978 1 19 . 1 1 54 54 LYS N N 54 126.280 126.280 126.235 0.045 17689 2979 1 19 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.697 0.096 17689 2980 1 19 . 1 1 54 54 LYS H H 54 8.762 8.762 8.451 0.311 17689 2981 1 19 . 1 1 55 55 VAL N N 55 128.630 128.630 122.545 6.085 17689 2982 1 19 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.337 -0.437 17689 2983 1 19 . 1 1 55 55 VAL H H 55 8.630 8.630 7.806 0.824 17689 2984 1 20 . 1 1 2 2 VAL N N 2 122.900 122.900 122.421 0.479 17689 2985 1 20 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.185 -0.022 17689 2986 1 20 . 1 1 2 2 VAL H H 2 8.565 8.565 8.245 0.320 17689 2987 1 20 . 1 1 3 3 GLN N N 3 123.880 123.880 120.312 3.568 17689 2988 1 20 . 1 1 3 3 GLN HA H 3 4.320 4.320 3.992 0.328 17689 2989 1 20 . 1 1 3 3 GLN H H 3 8.473 8.473 8.809 -0.336 17689 2990 1 20 . 1 1 4 4 ASN N N 4 119.910 119.910 118.724 1.186 17689 2991 1 20 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.505 0.145 17689 2992 1 20 . 1 1 4 4 ASN H H 4 8.381 8.381 8.724 -0.343 17689 2993 1 20 . 1 1 5 5 ASP N N 5 119.700 119.700 116.928 2.772 17689 2994 1 20 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.644 -0.076 17689 2995 1 20 . 1 1 5 5 ASP H H 5 8.238 8.238 8.301 -0.063 17689 2996 1 20 . 1 1 6 6 PHE N N 6 119.540 119.540 120.328 -0.788 17689 2997 1 20 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.178 0.485 17689 2998 1 20 . 1 1 6 6 PHE H H 6 8.025 8.025 7.597 0.428 17689 2999 1 20 . 1 1 7 7 VAL N N 7 120.550 120.550 119.652 0.898 17689 3000 1 20 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.975 0.183 17689 3001 1 20 . 1 1 7 7 VAL H H 7 7.985 7.985 8.047 -0.062 17689 3002 1 20 . 1 1 8 8 ASP N N 8 123.470 123.470 124.250 -0.780 17689 3003 1 20 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.498 0.125 17689 3004 1 20 . 1 1 8 8 ASP H H 8 8.205 8.205 8.681 -0.476 17689 3005 1 20 . 1 1 9 9 SER N N 9 116.500 116.500 111.845 4.655 17689 3006 1 20 . 1 1 9 9 SER HA H 9 4.785 4.785 4.053 0.732 17689 3007 1 20 . 1 1 9 9 SER H H 9 8.337 8.337 8.554 -0.217 17689 3008 1 20 . 1 1 10 10 TYR N N 10 120.450 120.450 120.026 0.424 17689 3009 1 20 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.305 0.748 17689 3010 1 20 . 1 1 10 10 TYR H H 10 9.584 9.584 8.352 1.232 17689 3011 1 20 . 1 1 11 11 ASP N N 11 121.160 121.160 121.909 -0.749 17689 3012 1 20 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.742 0.791 17689 3013 1 20 . 1 1 11 11 ASP H H 11 8.970 8.970 8.668 0.302 17689 3014 1 20 . 1 1 12 12 VAL N N 12 123.530 123.530 127.357 -3.827 17689 3015 1 20 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.863 0.430 17689 3016 1 20 . 1 1 12 12 VAL H H 12 9.182 9.182 8.836 0.346 17689 3017 1 20 . 1 1 13 13 THR N N 13 124.760 124.760 124.919 -0.159 17689 3018 1 20 . 1 1 13 13 THR HA H 13 5.139 5.139 4.736 0.403 17689 3019 1 20 . 1 1 13 13 THR H H 13 9.172 9.172 9.104 0.068 17689 3020 1 20 . 1 1 14 14 MET N N 14 124.600 124.600 127.265 -2.665 17689 3021 1 20 . 1 1 14 14 MET HA H 14 5.216 5.216 5.310 -0.094 17689 3022 1 20 . 1 1 14 14 MET H H 14 9.172 9.172 8.717 0.455 17689 3023 1 20 . 1 1 15 15 LEU N N 15 125.470 125.470 117.582 7.888 17689 3024 1 20 . 1 1 15 15 LEU HA H 15 4.441 4.441 4.965 -0.524 17689 3025 1 20 . 1 1 15 15 LEU H H 15 8.934 8.934 8.724 0.210 17689 3026 1 20 . 1 1 16 16 LEU N N 16 129.120 129.120 117.914 11.206 17689 3027 1 20 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.532 0.653 17689 3028 1 20 . 1 1 16 16 LEU H H 16 8.674 8.674 8.261 0.413 17689 3029 1 20 . 1 1 17 17 GLN N N 17 118.200 118.200 118.847 -0.647 17689 3030 1 20 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.945 0.367 17689 3031 1 20 . 1 1 17 17 GLN H H 17 8.638 8.638 8.752 -0.114 17689 3032 1 20 . 1 1 18 18 ASP N N 18 126.700 126.700 126.255 0.445 17689 3033 1 20 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.736 0.072 17689 3034 1 20 . 1 1 18 18 ASP H H 18 8.877 8.877 9.081 -0.204 17689 3035 1 20 . 1 1 19 19 ASP N N 19 117.840 117.840 122.045 -4.205 17689 3036 1 20 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.451 0.003 17689 3037 1 20 . 1 1 19 19 ASP H H 19 8.775 8.775 8.712 0.063 17689 3038 1 20 . 1 1 20 20 ASP N N 20 118.400 118.400 117.943 0.457 17689 3039 1 20 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.647 0.194 17689 3040 1 20 . 1 1 20 20 ASP H H 20 8.261 8.261 8.356 -0.095 17689 3041 1 20 . 1 1 21 21 GLY N N 21 108.270 108.270 107.173 1.097 17689 3042 1 20 . 1 1 21 21 GLY H H 21 8.188 8.188 7.933 0.255 17689 3043 1 20 . 1 1 22 22 LYS N N 22 123.480 123.480 120.441 3.039 17689 3044 1 20 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.463 -0.158 17689 3045 1 20 . 1 1 22 22 LYS H H 22 8.433 8.433 8.012 0.421 17689 3046 1 20 . 1 1 23 23 GLN N N 23 122.260 122.260 120.918 1.342 17689 3047 1 20 . 1 1 23 23 GLN HA H 23 5.710 5.710 5.182 0.528 17689 3048 1 20 . 1 1 23 23 GLN H H 23 8.426 8.426 8.589 -0.163 17689 3049 1 20 . 1 1 24 24 TYR N N 24 120.420 120.420 121.323 -0.903 17689 3050 1 20 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.986 -0.082 17689 3051 1 20 . 1 1 24 24 TYR H H 24 8.927 8.927 8.927 -0.000 17689 3052 1 20 . 1 1 25 25 TYR N N 25 118.880 118.880 121.513 -2.633 17689 3053 1 20 . 1 1 25 25 TYR HA H 25 5.384 5.384 4.831 0.553 17689 3054 1 20 . 1 1 25 25 TYR H H 25 8.654 8.654 8.952 -0.298 17689 3055 1 20 . 1 1 26 26 GLU N N 26 120.270 120.270 121.387 -1.117 17689 3056 1 20 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.659 -0.039 17689 3057 1 20 . 1 1 26 26 GLU H H 26 9.067 9.067 8.741 0.326 17689 3058 1 20 . 1 1 27 27 TYR N N 27 123.610 123.610 121.834 1.776 17689 3059 1 20 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.847 0.572 17689 3060 1 20 . 1 1 27 27 TYR H H 27 8.654 8.654 8.417 0.237 17689 3061 1 20 . 1 1 28 28 HIS N N 28 120.690 120.690 123.540 -2.850 17689 3062 1 20 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.915 -0.057 17689 3063 1 20 . 1 1 28 28 HIS H H 28 9.114 9.114 9.391 -0.277 17689 3064 1 20 . 1 1 29 29 LYS N N 29 124.700 124.700 123.060 1.640 17689 3065 1 20 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.511 0.450 17689 3066 1 20 . 1 1 29 29 LYS H H 29 8.871 8.871 8.297 0.574 17689 3067 1 20 . 1 1 30 30 GLY N N 30 112.960 112.960 112.155 0.805 17689 3068 1 20 . 1 1 30 30 GLY H H 30 8.739 8.739 8.159 0.580 17689 3069 1 20 . 1 1 31 31 LEU N N 31 122.260 122.260 113.585 8.675 17689 3070 1 20 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.922 -0.140 17689 3071 1 20 . 1 1 31 31 LEU H H 31 9.349 9.349 7.652 1.697 17689 3072 1 20 . 1 1 32 32 SER N N 32 117.760 117.760 113.375 4.385 17689 3073 1 20 . 1 1 32 32 SER HA H 32 5.053 5.053 4.762 0.291 17689 3074 1 20 . 1 1 32 32 SER H H 32 8.993 8.993 8.798 0.195 17689 3075 1 20 . 1 1 33 33 LEU N N 33 122.480 122.480 120.932 1.548 17689 3076 1 20 . 1 1 33 33 LEU HA H 33 4.101 4.101 3.927 0.174 17689 3077 1 20 . 1 1 33 33 LEU H H 33 9.582 9.582 8.483 1.099 17689 3078 1 20 . 1 1 34 34 SER N N 34 113.790 113.790 113.323 0.467 17689 3079 1 20 . 1 1 34 34 SER HA H 34 4.210 4.210 4.249 -0.039 17689 3080 1 20 . 1 1 34 34 SER H H 34 8.324 8.324 8.221 0.103 17689 3081 1 20 . 1 1 35 35 ASP N N 35 121.960 121.960 122.319 -0.359 17689 3082 1 20 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.581 -0.138 17689 3083 1 20 . 1 1 35 35 ASP H H 35 7.938 7.938 7.657 0.281 17689 3084 1 20 . 1 1 36 36 PHE N N 36 122.350 122.350 121.920 0.430 17689 3085 1 20 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.100 0.000 17689 3086 1 20 . 1 1 36 36 PHE H H 36 8.649 8.649 8.445 0.204 17689 3087 1 20 . 1 1 37 37 GLU N N 37 120.010 120.010 118.838 1.172 17689 3088 1 20 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.748 -0.460 17689 3089 1 20 . 1 1 37 37 GLU H H 37 8.169 8.169 7.981 0.188 17689 3090 1 20 . 1 1 38 38 VAL N N 38 119.850 119.850 119.945 -0.095 17689 3091 1 20 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.665 -0.103 17689 3092 1 20 . 1 1 38 38 VAL H H 38 7.404 7.404 7.277 0.127 17689 3093 1 20 . 1 1 39 39 LEU N N 39 121.490 121.490 121.476 0.014 17689 3094 1 20 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.796 0.162 17689 3095 1 20 . 1 1 39 39 LEU H H 39 7.593 7.593 7.847 -0.254 17689 3096 1 20 . 1 1 40 40 TYR N N 40 120.440 120.440 119.852 0.588 17689 3097 1 20 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.125 -0.478 17689 3098 1 20 . 1 1 40 40 TYR H H 40 8.743 8.743 8.490 0.253 17689 3099 1 20 . 1 1 41 41 GLY N N 41 105.790 105.790 106.612 -0.822 17689 3100 1 20 . 1 1 41 41 GLY H H 41 7.678 7.678 8.191 -0.513 17689 3101 1 20 . 1 1 42 42 ASN N N 42 116.630 116.630 118.116 -1.486 17689 3102 1 20 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.654 0.136 17689 3103 1 20 . 1 1 42 42 ASN H H 42 7.370 7.370 7.790 -0.420 17689 3104 1 20 . 1 1 43 43 THR N N 43 117.900 117.900 117.219 0.681 17689 3105 1 20 . 1 1 43 43 THR HA H 43 4.052 4.052 3.971 0.081 17689 3106 1 20 . 1 1 43 43 THR H H 43 7.271 7.271 7.366 -0.095 17689 3107 1 20 . 1 1 44 44 ALA HA H 44 4.303 4.303 3.863 0.440 17689 3108 1 20 . 1 1 44 44 ALA H H 44 8.500 8.500 8.410 0.090 17689 3109 1 20 . 1 1 45 45 ASP N N 45 117.770 117.770 116.616 1.154 17689 3110 1 20 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.661 0.216 17689 3111 1 20 . 1 1 45 45 ASP H H 45 7.403 7.403 8.051 -0.648 17689 3112 1 20 . 1 1 46 46 GLU N N 46 118.810 118.810 118.833 -0.023 17689 3113 1 20 . 1 1 46 46 GLU HA H 46 4.068 4.068 4.080 -0.012 17689 3114 1 20 . 1 1 46 46 GLU H H 46 7.704 7.704 8.529 -0.825 17689 3115 1 20 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.763 0.127 17689 3116 1 20 . 1 1 47 47 ILE H H 47 8.530 8.530 7.641 0.889 17689 3117 1 20 . 1 1 48 48 ILE N N 48 129.130 129.130 124.098 5.032 17689 3118 1 20 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.184 0.138 17689 3119 1 20 . 1 1 48 48 ILE H H 48 9.177 9.177 8.501 0.676 17689 3120 1 20 . 1 1 49 49 LYS N N 49 115.080 115.080 119.277 -4.197 17689 3121 1 20 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.612 0.702 17689 3122 1 20 . 1 1 49 49 LYS H H 49 7.964 7.964 7.617 0.347 17689 3123 1 20 . 1 1 50 50 LEU N N 50 122.010 122.010 118.669 3.341 17689 3124 1 20 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.433 -0.220 17689 3125 1 20 . 1 1 50 50 LEU H H 50 9.012 9.012 8.327 0.685 17689 3126 1 20 . 1 1 51 51 ARG N N 51 127.740 127.740 119.996 7.744 17689 3127 1 20 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.726 0.485 17689 3128 1 20 . 1 1 51 51 ARG H H 51 9.503 9.503 8.753 0.750 17689 3129 1 20 . 1 1 52 52 LEU N N 52 124.920 124.920 123.279 1.641 17689 3130 1 20 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.451 -0.278 17689 3131 1 20 . 1 1 52 52 LEU H H 52 8.658 8.658 8.362 0.296 17689 3132 1 20 . 1 1 53 53 ASP N N 53 124.020 124.020 124.241 -0.221 17689 3133 1 20 . 1 1 53 53 ASP HA H 53 5.448 5.448 4.955 0.493 17689 3134 1 20 . 1 1 53 53 ASP H H 53 8.773 8.773 9.093 -0.320 17689 3135 1 20 . 1 1 54 54 LYS N N 54 126.280 126.280 124.858 1.422 17689 3136 1 20 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.779 0.014 17689 3137 1 20 . 1 1 54 54 LYS H H 54 8.762 8.762 8.350 0.412 17689 3138 1 20 . 1 1 55 55 VAL N N 55 128.630 128.630 119.730 8.900 17689 3139 1 20 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.175 -0.275 17689 3140 1 20 . 1 1 55 55 VAL H H 55 8.630 8.630 7.729 0.901 17689 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 52 3.039 -0.694 2.988 17689 2 1 1 "Average Difference" HA 57 0.342 -0.128 0.320 17689 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17689 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17689 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17689 6 1 1 "Average Difference" HN 54 0.458 -0.110 0.449 17689 7 1 2 "Average Difference" N 52 3.303 -0.327 3.318 17689 8 1 2 "Average Difference" HA 57 0.318 -0.128 0.294 17689 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17689 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17689 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17689 12 1 2 "Average Difference" HN 54 0.548 -0.145 0.534 17689 13 1 3 "Average Difference" N 52 3.428 -0.512 3.423 17689 14 1 3 "Average Difference" HA 57 0.376 -0.147 0.349 17689 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17689 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17689 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17689 18 1 3 "Average Difference" HN 54 0.575 -0.192 0.548 17689 19 1 4 "Average Difference" N 52 3.190 -0.865 3.101 17689 20 1 4 "Average Difference" HA 57 0.392 -0.140 0.370 17689 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17689 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17689 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17689 24 1 4 "Average Difference" HN 54 0.538 -0.164 0.518 17689 25 1 5 "Average Difference" N 52 3.189 -0.157 3.217 17689 26 1 5 "Average Difference" HA 57 0.341 -0.145 0.311 17689 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17689 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17689 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17689 30 1 5 "Average Difference" HN 54 0.546 -0.210 0.509 17689 31 1 6 "Average Difference" N 52 3.388 -0.631 3.361 17689 32 1 6 "Average Difference" HA 57 0.341 -0.085 0.333 17689 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17689 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17689 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17689 36 1 6 "Average Difference" HN 54 0.480 -0.137 0.464 17689 37 1 7 "Average Difference" N 52 3.186 0.119 3.215 17689 38 1 7 "Average Difference" HA 57 0.366 -0.131 0.345 17689 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17689 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17689 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17689 42 1 7 "Average Difference" HN 54 0.496 -0.082 0.494 17689 43 1 8 "Average Difference" N 52 3.618 -0.336 3.637 17689 44 1 8 "Average Difference" HA 57 0.354 -0.106 0.341 17689 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17689 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17689 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17689 48 1 8 "Average Difference" HN 54 0.527 -0.159 0.507 17689 49 1 9 "Average Difference" N 52 3.443 -0.774 3.387 17689 50 1 9 "Average Difference" HA 57 0.373 -0.149 0.345 17689 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17689 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17689 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17689 54 1 9 "Average Difference" HN 54 0.529 -0.204 0.493 17689 55 1 10 "Average Difference" N 52 3.245 -0.579 3.224 17689 56 1 10 "Average Difference" HA 57 0.396 -0.133 0.376 17689 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17689 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17689 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17689 60 1 10 "Average Difference" HN 54 0.531 -0.204 0.495 17689 61 1 11 "Average Difference" N 52 3.148 -0.786 3.078 17689 62 1 11 "Average Difference" HA 57 0.381 -0.098 0.372 17689 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17689 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 17689 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17689 66 1 11 "Average Difference" HN 54 0.440 -0.073 0.438 17689 67 1 12 "Average Difference" N 52 3.242 -0.440 3.243 17689 68 1 12 "Average Difference" HA 57 0.320 -0.090 0.310 17689 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17689 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 17689 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17689 72 1 12 "Average Difference" HN 54 0.456 -0.066 0.455 17689 73 1 13 "Average Difference" N 52 2.556 -0.146 2.577 17689 74 1 13 "Average Difference" HA 57 0.341 -0.112 0.325 17689 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17689 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 17689 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17689 78 1 13 "Average Difference" HN 54 0.451 -0.165 0.423 17689 79 1 14 "Average Difference" N 52 2.807 -0.097 2.833 17689 80 1 14 "Average Difference" HA 57 0.355 -0.148 0.326 17689 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17689 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 17689 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17689 84 1 14 "Average Difference" HN 54 0.492 -0.142 0.475 17689 85 1 15 "Average Difference" N 52 3.302 -0.869 3.216 17689 86 1 15 "Average Difference" HA 57 0.364 -0.160 0.329 17689 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17689 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 17689 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17689 90 1 15 "Average Difference" HN 54 0.476 -0.176 0.446 17689 91 1 16 "Average Difference" N 52 3.597 -0.612 3.580 17689 92 1 16 "Average Difference" HA 57 0.375 -0.113 0.361 17689 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17689 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 17689 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17689 96 1 16 "Average Difference" HN 54 0.545 -0.243 0.493 17689 97 1 17 "Average Difference" N 52 3.736 -0.843 3.675 17689 98 1 17 "Average Difference" HA 57 0.346 -0.120 0.328 17689 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17689 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 17689 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17689 102 1 17 "Average Difference" HN 54 0.526 -0.182 0.498 17689 103 1 18 "Average Difference" N 52 3.643 -0.207 3.672 17689 104 1 18 "Average Difference" HA 57 0.424 -0.170 0.392 17689 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17689 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 17689 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17689 108 1 18 "Average Difference" HN 54 0.521 -0.213 0.480 17689 109 1 19 "Average Difference" N 52 2.512 -0.642 2.452 17689 110 1 19 "Average Difference" HA 57 0.368 -0.129 0.348 17689 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17689 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 17689 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17689 114 1 19 "Average Difference" HN 54 0.443 -0.126 0.429 17689 115 1 20 "Average Difference" N 52 3.431 -1.199 3.247 17689 116 1 20 "Average Difference" HA 57 0.353 -0.155 0.320 17689 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17689 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 17689 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17689 120 1 20 "Average Difference" HN 54 0.506 -0.180 0.478 17689 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 17689 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 VAL N N 2 122.900 122.900 121.073 1.827 17689 2 1 . 1 1 2 2 VAL HA H 2 4.163 4.163 4.104 0.059 17689 3 1 . 1 1 2 2 VAL H H 2 8.565 8.565 8.276 0.289 17689 4 1 . 1 1 3 3 GLN N N 3 123.880 123.880 122.047 1.833 17689 5 1 . 1 1 3 3 GLN HA H 3 4.320 4.320 4.200 0.120 17689 6 1 . 1 1 3 3 GLN H H 3 8.473 8.473 8.486 -0.013 17689 7 1 . 1 1 4 4 ASN N N 4 119.910 119.910 120.607 -0.697 17689 8 1 . 1 1 4 4 ASN HA H 4 4.650 4.650 4.599 0.051 17689 9 1 . 1 1 4 4 ASN H H 4 8.381 8.381 8.402 -0.021 17689 10 1 . 1 1 5 5 ASP N N 5 119.700 119.700 118.625 1.075 17689 11 1 . 1 1 5 5 ASP HA H 5 4.568 4.568 4.616 -0.048 17689 12 1 . 1 1 5 5 ASP H H 5 8.238 8.238 7.992 0.246 17689 13 1 . 1 1 6 6 PHE N N 6 119.540 119.540 118.531 1.009 17689 14 1 . 1 1 6 6 PHE HA H 6 4.663 4.663 4.316 0.347 17689 15 1 . 1 1 6 6 PHE H H 6 8.025 8.025 8.091 -0.066 17689 16 1 . 1 1 7 7 VAL N N 7 120.550 120.550 120.463 0.087 17689 17 1 . 1 1 7 7 VAL HA H 7 4.158 4.158 3.961 0.197 17689 18 1 . 1 1 7 7 VAL H H 7 7.985 7.985 7.908 0.077 17689 19 1 . 1 1 8 8 ASP N N 8 123.470 123.470 124.951 -1.481 17689 20 1 . 1 1 8 8 ASP HA H 8 4.623 4.623 4.656 -0.033 17689 21 1 . 1 1 8 8 ASP H H 8 8.205 8.205 8.468 -0.263 17689 22 1 . 1 1 9 9 SER N N 9 116.500 116.500 113.550 2.950 17689 23 1 . 1 1 9 9 SER HA H 9 4.785 4.785 4.504 0.281 17689 24 1 . 1 1 9 9 SER H H 9 8.337 8.337 8.035 0.302 17689 25 1 . 1 1 10 10 TYR N N 10 120.450 120.450 120.264 0.186 17689 26 1 . 1 1 10 10 TYR HA H 10 5.053 5.053 4.560 0.493 17689 27 1 . 1 1 10 10 TYR H H 10 9.584 9.584 8.444 1.140 17689 28 1 . 1 1 11 11 ASP N N 11 121.160 121.160 122.001 -0.841 17689 29 1 . 1 1 11 11 ASP HA H 11 5.533 5.533 4.964 0.569 17689 30 1 . 1 1 11 11 ASP H H 11 8.970 8.970 8.943 0.027 17689 31 1 . 1 1 12 12 VAL N N 12 123.530 123.530 126.686 -3.156 17689 32 1 . 1 1 12 12 VAL HA H 12 5.293 5.293 4.748 0.545 17689 33 1 . 1 1 12 12 VAL H H 12 9.182 9.182 8.886 0.296 17689 34 1 . 1 1 13 13 THR N N 13 124.760 124.760 124.614 0.146 17689 35 1 . 1 1 13 13 THR HA H 13 5.139 5.139 4.674 0.465 17689 36 1 . 1 1 13 13 THR H H 13 9.172 9.172 9.115 0.057 17689 37 1 . 1 1 14 14 MET N N 14 124.600 124.600 127.102 -2.502 17689 38 1 . 1 1 14 14 MET HA H 14 5.216 5.216 5.229 -0.013 17689 39 1 . 1 1 14 14 MET H H 14 9.172 9.172 9.026 0.146 17689 40 1 . 1 1 15 15 LEU N N 15 125.470 125.470 122.265 3.205 17689 41 1 . 1 1 15 15 LEU HA H 15 4.441 4.441 5.144 -0.704 17689 42 1 . 1 1 15 15 LEU H H 15 8.934 8.934 8.918 0.016 17689 43 1 . 1 1 16 16 LEU N N 16 129.120 129.120 122.432 6.688 17689 44 1 . 1 1 16 16 LEU HA H 16 5.185 5.185 4.909 0.276 17689 45 1 . 1 1 16 16 LEU H H 16 8.674 8.674 8.552 0.122 17689 46 1 . 1 1 17 17 GLN N N 17 118.200 118.200 118.930 -0.730 17689 47 1 . 1 1 17 17 GLN HA H 17 5.312 5.312 4.774 0.538 17689 48 1 . 1 1 17 17 GLN H H 17 8.638 8.638 8.367 0.271 17689 49 1 . 1 1 18 18 ASP N N 18 126.700 126.700 125.882 0.818 17689 50 1 . 1 1 18 18 ASP HA H 18 4.808 4.808 4.792 0.016 17689 51 1 . 1 1 18 18 ASP H H 18 8.877 8.877 8.965 -0.088 17689 52 1 . 1 1 19 19 ASP N N 19 117.840 117.840 122.020 -4.180 17689 53 1 . 1 1 19 19 ASP HA H 19 4.454 4.454 4.403 0.051 17689 54 1 . 1 1 19 19 ASP H H 19 8.775 8.775 8.717 0.057 17689 55 1 . 1 1 20 20 ASP N N 20 118.400 118.400 118.379 0.021 17689 56 1 . 1 1 20 20 ASP HA H 20 4.841 4.841 4.573 0.268 17689 57 1 . 1 1 20 20 ASP H H 20 8.261 8.261 8.372 -0.111 17689 58 1 . 1 1 21 21 GLY N N 21 108.270 108.270 106.769 1.501 17689 59 1 . 1 1 21 21 GLY H H 21 8.188 8.188 7.994 0.194 17689 60 1 . 1 1 22 22 LYS N N 22 123.480 123.480 121.092 2.388 17689 61 1 . 1 1 22 22 LYS HA H 22 4.305 4.305 4.361 -0.056 17689 62 1 . 1 1 22 22 LYS H H 22 8.433 8.433 7.994 0.439 17689 63 1 . 1 1 23 23 GLN N N 23 122.260 122.260 123.173 -0.913 17689 64 1 . 1 1 23 23 GLN HA H 23 5.710 5.710 4.929 0.780 17689 65 1 . 1 1 23 23 GLN H H 23 8.426 8.426 8.680 -0.255 17689 66 1 . 1 1 24 24 TYR N N 24 120.420 120.420 120.720 -0.300 17689 67 1 . 1 1 24 24 TYR HA H 24 4.904 4.904 4.946 -0.042 17689 68 1 . 1 1 24 24 TYR H H 24 8.927 8.927 8.877 0.050 17689 69 1 . 1 1 25 25 TYR N N 25 118.880 118.880 123.098 -4.218 17689 70 1 . 1 1 25 25 TYR HA H 25 5.384 5.384 5.096 0.288 17689 71 1 . 1 1 25 25 TYR H H 25 8.654 8.654 8.812 -0.158 17689 72 1 . 1 1 26 26 GLU N N 26 120.270 120.270 124.390 -4.120 17689 73 1 . 1 1 26 26 GLU HA H 26 4.620 4.620 4.579 0.041 17689 74 1 . 1 1 26 26 GLU H H 26 9.067 9.067 8.879 0.188 17689 75 1 . 1 1 27 27 TYR N N 27 123.610 123.610 122.351 1.259 17689 76 1 . 1 1 27 27 TYR HA H 27 5.419 5.419 4.647 0.772 17689 77 1 . 1 1 27 27 TYR H H 27 8.654 8.654 8.461 0.193 17689 78 1 . 1 1 28 28 HIS N N 28 120.690 120.690 125.269 -4.579 17689 79 1 . 1 1 28 28 HIS HA H 28 4.858 4.858 4.854 0.004 17689 80 1 . 1 1 28 28 HIS H H 28 9.114 9.114 9.045 0.069 17689 81 1 . 1 1 29 29 LYS N N 29 124.700 124.700 121.720 2.980 17689 82 1 . 1 1 29 29 LYS HA H 29 4.961 4.961 4.791 0.170 17689 83 1 . 1 1 29 29 LYS H H 29 8.871 8.871 8.246 0.625 17689 84 1 . 1 1 30 30 GLY N N 30 112.960 112.960 108.795 4.165 17689 85 1 . 1 1 30 30 GLY H H 30 8.739 8.739 8.268 0.471 17689 86 1 . 1 1 31 31 LEU N N 31 122.260 122.260 114.612 7.648 17689 87 1 . 1 1 31 31 LEU HA H 31 4.782 4.782 4.882 -0.100 17689 88 1 . 1 1 31 31 LEU H H 31 9.349 9.349 7.826 1.523 17689 89 1 . 1 1 32 32 SER N N 32 117.760 117.760 113.265 4.495 17689 90 1 . 1 1 32 32 SER HA H 32 5.053 5.053 4.833 0.220 17689 91 1 . 1 1 32 32 SER H H 32 8.993 8.993 8.531 0.462 17689 92 1 . 1 1 33 33 LEU N N 33 122.480 122.480 121.895 0.585 17689 93 1 . 1 1 33 33 LEU HA H 33 4.101 4.101 4.092 0.009 17689 94 1 . 1 1 33 33 LEU H H 33 9.582 9.582 8.564 1.018 17689 95 1 . 1 1 34 34 SER N N 34 113.790 113.790 114.172 -0.382 17689 96 1 . 1 1 34 34 SER HA H 34 4.210 4.210 4.211 -0.001 17689 97 1 . 1 1 34 34 SER H H 34 8.324 8.324 8.072 0.252 17689 98 1 . 1 1 35 35 ASP N N 35 121.960 121.960 122.648 -0.688 17689 99 1 . 1 1 35 35 ASP HA H 35 4.443 4.443 4.546 -0.103 17689 100 1 . 1 1 35 35 ASP H H 35 7.938 7.938 7.597 0.341 17689 101 1 . 1 1 36 36 PHE N N 36 122.350 122.350 122.093 0.257 17689 102 1 . 1 1 36 36 PHE HA H 36 4.100 4.100 4.091 0.009 17689 103 1 . 1 1 36 36 PHE H H 36 8.649 8.649 8.594 0.055 17689 104 1 . 1 1 37 37 GLU N N 37 120.010 120.010 118.962 1.048 17689 105 1 . 1 1 37 37 GLU HA H 37 3.288 3.288 3.703 -0.415 17689 106 1 . 1 1 37 37 GLU H H 37 8.169 8.169 8.186 -0.017 17689 107 1 . 1 1 38 38 VAL N N 38 119.850 119.850 119.941 -0.091 17689 108 1 . 1 1 38 38 VAL HA H 38 3.562 3.562 3.642 -0.080 17689 109 1 . 1 1 38 38 VAL H H 38 7.404 7.404 7.318 0.086 17689 110 1 . 1 1 39 39 LEU N N 39 121.490 121.490 121.589 -0.099 17689 111 1 . 1 1 39 39 LEU HA H 39 3.958 3.958 3.903 0.055 17689 112 1 . 1 1 39 39 LEU H H 39 7.593 7.593 7.908 -0.315 17689 113 1 . 1 1 40 40 TYR N N 40 120.440 120.440 119.475 0.965 17689 114 1 . 1 1 40 40 TYR HA H 40 3.647 3.647 4.179 -0.532 17689 115 1 . 1 1 40 40 TYR H H 40 8.743 8.743 8.635 0.108 17689 116 1 . 1 1 41 41 GLY N N 41 105.790 105.790 105.775 0.015 17689 117 1 . 1 1 41 41 GLY H H 41 7.678 7.678 7.954 -0.276 17689 118 1 . 1 1 42 42 ASN N N 42 116.630 116.630 117.994 -1.364 17689 119 1 . 1 1 42 42 ASN HA H 42 4.790 4.790 4.761 0.029 17689 120 1 . 1 1 42 42 ASN H H 42 7.370 7.370 8.172 -0.802 17689 121 1 . 1 1 43 43 THR N N 43 117.900 117.900 114.378 3.522 17689 122 1 . 1 1 43 43 THR HA H 43 4.052 4.052 4.342 -0.290 17689 123 1 . 1 1 43 43 THR H H 43 7.271 7.271 7.925 -0.654 17689 124 1 . 1 1 44 44 ALA HA H 44 4.303 4.303 4.030 0.274 17689 125 1 . 1 1 44 44 ALA H H 44 8.500 8.500 7.983 0.517 17689 126 1 . 1 1 45 45 ASP N N 45 117.770 117.770 119.708 -1.938 17689 127 1 . 1 1 45 45 ASP HA H 45 4.877 4.877 4.551 0.326 17689 128 1 . 1 1 45 45 ASP H H 45 7.403 7.403 7.955 -0.552 17689 129 1 . 1 1 46 46 GLU N N 46 118.810 118.810 120.026 -1.216 17689 130 1 . 1 1 46 46 GLU HA H 46 4.068 4.068 4.119 -0.051 17689 131 1 . 1 1 46 46 GLU H H 46 7.704 7.704 8.500 -0.796 17689 132 1 . 1 1 47 47 ILE HA H 47 3.890 3.890 3.850 0.040 17689 133 1 . 1 1 47 47 ILE H H 47 8.530 8.530 8.084 0.446 17689 134 1 . 1 1 48 48 ILE N N 48 129.130 129.130 127.092 2.038 17689 135 1 . 1 1 48 48 ILE HA H 48 4.322 4.322 4.321 0.001 17689 136 1 . 1 1 48 48 ILE H H 48 9.177 9.177 8.636 0.541 17689 137 1 . 1 1 49 49 LYS N N 49 115.080 115.080 118.800 -3.720 17689 138 1 . 1 1 49 49 LYS HA H 49 5.314 5.314 4.649 0.665 17689 139 1 . 1 1 49 49 LYS H H 49 7.964 7.964 7.866 0.098 17689 140 1 . 1 1 50 50 LEU N N 50 122.010 122.010 120.553 1.457 17689 141 1 . 1 1 50 50 LEU HA H 50 5.213 5.213 5.164 0.049 17689 142 1 . 1 1 50 50 LEU H H 50 9.012 9.012 8.476 0.536 17689 143 1 . 1 1 51 51 ARG N N 51 127.740 127.740 124.653 3.087 17689 144 1 . 1 1 51 51 ARG HA H 51 5.211 5.211 4.748 0.463 17689 145 1 . 1 1 51 51 ARG H H 51 9.503 9.503 8.957 0.546 17689 146 1 . 1 1 52 52 LEU N N 52 124.920 124.920 125.646 -0.726 17689 147 1 . 1 1 52 52 LEU HA H 52 5.173 5.173 5.315 -0.142 17689 148 1 . 1 1 52 52 LEU H H 52 8.658 8.658 8.489 0.169 17689 149 1 . 1 1 53 53 ASP N N 53 124.020 124.020 125.069 -1.049 17689 150 1 . 1 1 53 53 ASP HA H 53 5.448 5.448 4.985 0.463 17689 151 1 . 1 1 53 53 ASP H H 53 8.773 8.773 8.938 -0.165 17689 152 1 . 1 1 54 54 LYS N N 54 126.280 126.280 124.268 2.012 17689 153 1 . 1 1 54 54 LYS HA H 54 3.793 3.793 3.427 0.366 17689 154 1 . 1 1 54 54 LYS H H 54 8.762 8.762 8.401 0.361 17689 155 1 . 1 1 55 55 VAL N N 55 128.630 128.630 121.358 7.272 17689 156 1 . 1 1 55 55 VAL HA H 55 3.900 3.900 4.094 -0.194 17689 157 1 . 1 1 55 55 VAL H H 55 8.630 8.630 7.853 0.777 17689 stop_ save_