data_19892 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19892 _Entry.PDB_ID 2MNH 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 19892 _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 3 3 SER N N 3 123.587 123.587 119.032 4.555 19892 2 1 1 . 1 1 3 3 SER H H 3 9.031 9.031 8.149 0.882 19892 3 1 1 . 1 1 4 4 THR N N 4 116.754 116.754 118.033 -1.279 19892 4 1 1 . 1 1 4 4 THR H H 4 8.556 8.556 8.291 0.265 19892 5 1 1 . 1 1 5 5 VAL N N 5 128.336 128.336 125.322 3.014 19892 6 1 1 . 1 1 5 5 VAL H H 5 8.817 8.817 8.916 -0.099 19892 7 1 1 . 1 1 6 6 THR N N 6 115.974 115.974 122.102 -6.128 19892 8 1 1 . 1 1 6 6 THR H H 6 8.968 8.968 8.040 0.928 19892 9 1 1 . 1 1 7 7 GLY N N 7 105.889 105.889 111.412 -5.523 19892 10 1 1 . 1 1 7 7 GLY H H 7 8.766 8.766 7.855 0.911 19892 11 1 1 . 1 1 8 8 GLY N N 8 105.854 105.854 106.678 -0.824 19892 12 1 1 . 1 1 8 8 GLY H H 8 9.126 9.126 7.338 1.788 19892 13 1 1 . 1 1 9 9 TYR N N 9 121.078 121.078 122.292 -1.214 19892 14 1 1 . 1 1 9 9 TYR H H 9 8.308 8.308 7.749 0.559 19892 15 1 1 . 1 1 11 11 GLN N N 11 121.317 121.317 123.841 -2.524 19892 16 1 1 . 1 1 11 11 GLN H H 11 8.262 8.262 7.293 0.969 19892 17 1 1 . 1 1 12 12 SER N N 12 123.836 123.836 116.258 7.578 19892 18 1 1 . 1 1 12 12 SER H H 12 9.194 9.194 8.097 1.097 19892 19 1 1 . 1 1 13 13 ASP N N 13 124.275 124.275 121.759 2.516 19892 20 1 1 . 1 1 13 13 ASP H H 13 9.099 9.099 8.106 0.993 19892 21 1 1 . 1 1 14 14 ALA N N 14 128.864 128.864 124.234 4.630 19892 22 1 1 . 1 1 14 14 ALA H H 14 8.660 8.660 8.248 0.412 19892 23 1 1 . 1 1 15 15 GLN H H 15 8.316 8.316 8.211 0.105 19892 24 1 1 . 1 1 16 16 GLY N N 16 112.489 112.489 112.065 0.424 19892 25 1 1 . 1 1 16 16 GLY H H 16 8.701 8.701 8.692 0.009 19892 26 1 1 . 1 1 17 17 GLN N N 17 119.022 119.022 118.957 0.065 19892 27 1 1 . 1 1 17 17 GLN H H 17 8.111 8.111 7.557 0.554 19892 28 1 1 . 1 1 18 18 MET N N 18 120.328 120.328 121.632 -1.304 19892 29 1 1 . 1 1 18 18 MET H H 18 8.657 8.657 8.453 0.204 19892 30 1 1 . 1 1 19 19 ASN N N 19 117.284 117.284 121.944 -4.660 19892 31 1 1 . 1 1 19 19 ASN H H 19 8.009 8.009 8.672 -0.663 19892 32 1 1 . 1 1 20 20 LYS N N 20 121.136 121.136 121.380 -0.244 19892 33 1 1 . 1 1 20 20 LYS H H 20 8.548 8.548 8.270 0.278 19892 34 1 1 . 1 1 21 21 MET N N 21 119.903 119.903 115.640 4.263 19892 35 1 1 . 1 1 21 21 MET H H 21 8.618 8.618 7.733 0.885 19892 36 1 1 . 1 1 22 22 GLY N N 22 111.196 111.196 106.518 4.678 19892 37 1 1 . 1 1 22 22 GLY H H 22 8.501 8.501 7.967 0.534 19892 38 1 1 . 1 1 23 23 GLY N N 23 109.325 109.325 109.911 -0.586 19892 39 1 1 . 1 1 23 23 GLY H H 23 8.092 8.092 7.332 0.760 19892 40 1 1 . 1 1 24 24 PHE N N 24 120.147 120.147 119.916 0.231 19892 41 1 1 . 1 1 24 24 PHE H H 24 9.306 9.306 7.954 1.352 19892 42 1 1 . 1 1 25 25 ASN N N 25 118.392 118.392 125.596 -7.204 19892 43 1 1 . 1 1 25 25 ASN H H 25 8.516 8.516 7.503 1.013 19892 44 1 1 . 1 1 26 26 LEU N N 26 125.392 125.392 126.441 -1.049 19892 45 1 1 . 1 1 26 26 LEU H H 26 9.381 9.381 8.070 1.311 19892 46 1 1 . 1 1 27 27 LYS N N 27 117.292 117.292 124.394 -7.102 19892 47 1 1 . 1 1 27 27 LYS H H 27 8.886 8.886 7.985 0.901 19892 48 1 1 . 1 1 28 28 TYR N N 28 120.230 120.230 121.925 -1.695 19892 49 1 1 . 1 1 28 28 TYR H H 28 8.358 8.358 8.483 -0.125 19892 50 1 1 . 1 1 29 29 ARG N N 29 129.080 129.080 121.571 7.509 19892 51 1 1 . 1 1 29 29 ARG H H 29 8.503 8.503 8.541 -0.038 19892 52 1 1 . 1 1 30 30 TYR N N 30 126.838 126.838 125.964 0.874 19892 53 1 1 . 1 1 30 30 TYR H H 30 8.891 8.891 8.307 0.584 19892 54 1 1 . 1 1 31 31 GLU N N 31 128.005 128.005 125.417 2.588 19892 55 1 1 . 1 1 31 31 GLU H H 31 8.202 8.202 7.612 0.590 19892 56 1 1 . 1 1 32 32 GLU N N 32 122.404 122.404 121.411 0.993 19892 57 1 1 . 1 1 32 32 GLU H H 32 9.137 9.137 8.480 0.657 19892 58 1 1 . 1 1 33 33 ASP N N 33 121.672 121.672 123.349 -1.677 19892 59 1 1 . 1 1 33 33 ASP H H 33 8.599 8.599 8.750 -0.151 19892 60 1 1 . 1 1 35 35 SER N N 35 113.001 113.001 112.406 0.595 19892 61 1 1 . 1 1 35 35 SER H H 35 7.363 7.363 7.642 -0.279 19892 62 1 1 . 1 1 37 37 LEU N N 37 123.171 123.171 122.893 0.278 19892 63 1 1 . 1 1 37 37 LEU H H 37 8.027 8.027 7.589 0.438 19892 64 1 1 . 1 1 38 38 GLY N N 38 115.826 115.826 113.112 2.714 19892 65 1 1 . 1 1 38 38 GLY H H 38 9.050 9.050 8.062 0.988 19892 66 1 1 . 1 1 39 39 VAL N N 39 117.450 117.450 124.575 -7.125 19892 67 1 1 . 1 1 39 39 VAL H H 39 8.082 8.082 7.926 0.156 19892 68 1 1 . 1 1 40 40 ILE N N 40 125.944 125.944 121.487 4.457 19892 69 1 1 . 1 1 40 40 ILE H H 40 9.229 9.229 8.324 0.905 19892 70 1 1 . 1 1 41 41 GLY N N 41 111.187 111.187 110.193 0.994 19892 71 1 1 . 1 1 41 41 GLY H H 41 9.112 9.112 8.390 0.722 19892 72 1 1 . 1 1 42 42 SER N N 42 116.459 116.459 120.192 -3.733 19892 73 1 1 . 1 1 42 42 SER H H 42 9.282 9.282 8.905 0.377 19892 74 1 1 . 1 1 43 43 PHE N N 43 128.932 128.932 122.920 6.012 19892 75 1 1 . 1 1 43 43 PHE H H 43 9.335 9.335 8.538 0.797 19892 76 1 1 . 1 1 44 44 THR N N 44 126.670 126.670 117.438 9.232 19892 77 1 1 . 1 1 44 44 THR H H 44 8.685 8.685 8.253 0.432 19892 78 1 1 . 1 1 45 45 TYR N N 45 125.515 125.515 128.316 -2.801 19892 79 1 1 . 1 1 45 45 TYR H H 45 8.176 8.176 8.321 -0.145 19892 80 1 1 . 1 1 46 46 THR N N 46 117.315 117.315 123.853 -6.538 19892 81 1 1 . 1 1 46 46 THR H H 46 8.574 8.574 8.276 0.298 19892 82 1 1 . 1 1 47 47 GLU N N 47 111.930 111.930 121.743 -9.813 19892 83 1 1 . 1 1 47 47 GLU H H 47 8.338 8.338 7.991 0.347 19892 84 1 1 . 1 1 49 49 SER N N 49 123.107 123.107 118.618 4.489 19892 85 1 1 . 1 1 49 49 SER H H 49 8.611 8.611 8.608 0.003 19892 86 1 1 . 1 1 52 52 ALA N N 52 127.376 127.376 125.169 2.207 19892 87 1 1 . 1 1 52 52 ALA H H 52 8.512 8.512 8.513 -0.001 19892 88 1 1 . 1 1 55 55 GLY N N 55 110.790 110.790 109.830 0.960 19892 89 1 1 . 1 1 55 55 GLY H H 55 8.245 8.245 8.187 0.058 19892 90 1 1 . 1 1 56 56 ASP N N 56 120.332 120.332 119.152 1.180 19892 91 1 1 . 1 1 56 56 ASP H H 56 7.848 7.848 8.398 -0.550 19892 92 1 1 . 1 1 57 57 TYR N N 57 121.702 121.702 121.499 0.203 19892 93 1 1 . 1 1 57 57 TYR H H 57 8.313 8.313 7.647 0.666 19892 94 1 1 . 1 1 58 58 ASN N N 58 122.198 122.198 123.336 -1.138 19892 95 1 1 . 1 1 58 58 ASN H H 58 8.360 8.360 7.830 0.530 19892 96 1 1 . 1 1 59 59 LYS N N 59 121.010 121.010 124.544 -3.534 19892 97 1 1 . 1 1 59 59 LYS H H 59 8.276 8.276 8.707 -0.431 19892 98 1 1 . 1 1 60 60 ASN N N 60 123.086 123.086 114.751 8.335 19892 99 1 1 . 1 1 60 60 ASN H H 60 8.397 8.397 7.893 0.504 19892 100 1 1 . 1 1 61 61 GLN N N 61 120.020 120.020 116.708 3.312 19892 101 1 1 . 1 1 61 61 GLN H H 61 8.499 8.499 7.826 0.673 19892 102 1 1 . 1 1 62 62 TYR N N 62 123.137 123.137 123.706 -0.569 19892 103 1 1 . 1 1 62 62 TYR H H 62 8.650 8.650 8.029 0.621 19892 104 1 1 . 1 1 63 63 TYR N N 63 123.929 123.929 129.571 -5.642 19892 105 1 1 . 1 1 63 63 TYR H H 63 8.381 8.381 7.917 0.464 19892 106 1 1 . 1 1 64 64 GLY N N 64 106.738 106.738 111.334 -4.596 19892 107 1 1 . 1 1 64 64 GLY H H 64 8.704 8.704 7.528 1.176 19892 108 1 1 . 1 1 65 65 ILE N N 65 128.892 128.892 117.262 11.630 19892 109 1 1 . 1 1 65 65 ILE H H 65 9.140 9.140 8.033 1.107 19892 110 1 1 . 1 1 66 66 THR N N 66 115.392 115.392 113.948 1.444 19892 111 1 1 . 1 1 66 66 THR H H 66 9.025 9.025 8.018 1.007 19892 112 1 1 . 1 1 67 67 ALA N N 67 118.885 118.885 125.238 -6.353 19892 113 1 1 . 1 1 67 67 ALA H H 67 9.387 9.387 8.276 1.111 19892 114 1 1 . 1 1 68 68 GLY N N 68 103.875 103.875 105.768 -1.893 19892 115 1 1 . 1 1 68 68 GLY H H 68 9.016 9.016 7.790 1.226 19892 116 1 1 . 1 1 70 70 ALA N N 70 120.214 120.214 120.179 0.035 19892 117 1 1 . 1 1 70 70 ALA H H 70 7.875 7.875 8.093 -0.218 19892 118 1 1 . 1 1 71 71 TYR N N 71 125.130 125.130 122.510 2.620 19892 119 1 1 . 1 1 71 71 TYR H H 71 9.786 9.786 8.800 0.986 19892 120 1 1 . 1 1 72 72 ARG N N 72 131.150 131.150 126.510 4.640 19892 121 1 1 . 1 1 72 72 ARG H H 72 8.860 8.860 7.949 0.911 19892 122 1 1 . 1 1 73 73 ILE N N 73 129.066 129.066 128.557 0.509 19892 123 1 1 . 1 1 73 73 ILE H H 73 8.475 8.475 8.573 -0.098 19892 124 1 1 . 1 1 77 77 ALA N N 77 124.611 124.611 123.393 1.218 19892 125 1 1 . 1 1 77 77 ALA H H 77 7.817 7.817 7.556 0.261 19892 126 1 1 . 1 1 78 78 SER N N 78 112.605 112.605 118.572 -5.967 19892 127 1 1 . 1 1 78 78 SER H H 78 8.195 8.195 8.147 0.048 19892 128 1 1 . 1 1 79 79 ILE N N 79 119.871 119.871 118.726 1.145 19892 129 1 1 . 1 1 79 79 ILE H H 79 9.072 9.072 8.367 0.705 19892 130 1 1 . 1 1 80 80 TYR N N 80 119.773 119.773 122.065 -2.292 19892 131 1 1 . 1 1 80 80 TYR H H 80 8.439 8.439 8.073 0.366 19892 132 1 1 . 1 1 81 81 GLY N N 81 105.795 105.795 106.155 -0.360 19892 133 1 1 . 1 1 81 81 GLY H H 81 8.135 8.135 7.974 0.161 19892 134 1 1 . 1 1 82 82 VAL N N 82 111.057 111.057 114.544 -3.487 19892 135 1 1 . 1 1 82 82 VAL H H 82 8.553 8.553 8.599 -0.046 19892 136 1 1 . 1 1 83 83 VAL N N 83 113.157 113.157 124.094 -10.937 19892 137 1 1 . 1 1 83 83 VAL H H 83 9.021 9.021 8.091 0.930 19892 138 1 1 . 1 1 84 84 GLY N N 84 107.838 107.838 113.656 -5.818 19892 139 1 1 . 1 1 84 84 GLY H H 84 8.593 8.593 7.945 0.648 19892 140 1 1 . 1 1 85 85 VAL N N 85 122.494 122.494 115.979 6.515 19892 141 1 1 . 1 1 85 85 VAL H H 85 8.977 8.977 7.891 1.085 19892 142 1 1 . 1 1 86 86 GLY N N 86 113.663 113.663 105.012 8.651 19892 143 1 1 . 1 1 86 86 GLY H H 86 8.871 8.871 7.545 1.326 19892 144 1 1 . 1 1 87 87 TYR N N 87 123.276 123.276 118.797 4.479 19892 145 1 1 . 1 1 87 87 TYR H H 87 9.213 9.213 8.865 0.348 19892 146 1 1 . 1 1 89 89 LYS N N 89 122.370 122.370 127.402 -5.032 19892 147 1 1 . 1 1 89 89 LYS H H 89 8.130 8.130 7.509 0.621 19892 148 1 1 . 1 1 91 91 GLN N N 91 121.297 121.297 118.243 3.054 19892 149 1 1 . 1 1 91 91 GLN H H 91 8.374 8.374 8.903 -0.529 19892 150 1 1 . 1 1 95 95 TYR N N 95 123.254 123.254 119.753 3.501 19892 151 1 1 . 1 1 95 95 TYR H H 95 8.263 8.263 7.442 0.821 19892 152 1 1 . 1 1 98 98 TYR N N 98 122.383 122.383 116.800 5.583 19892 153 1 1 . 1 1 98 98 TYR H H 98 8.110 8.110 7.757 0.353 19892 154 1 1 . 1 1 99 99 LYS N N 99 122.511 122.511 119.403 3.108 19892 155 1 1 . 1 1 99 99 LYS H H 99 8.019 8.019 7.509 0.510 19892 156 1 1 . 1 1 102 102 THR N N 102 113.735 113.735 115.826 -2.091 19892 157 1 1 . 1 1 102 102 THR H H 102 8.167 8.167 8.336 -0.169 19892 158 1 1 . 1 1 103 103 SER N N 103 119.198 119.198 120.420 -1.222 19892 159 1 1 . 1 1 103 103 SER H H 103 8.381 8.381 8.541 -0.160 19892 160 1 1 . 1 1 104 104 ASP N N 104 122.272 122.272 128.043 -5.771 19892 161 1 1 . 1 1 104 104 ASP H H 104 8.203 8.203 8.481 -0.278 19892 162 1 1 . 1 1 105 105 TYR N N 105 116.595 116.595 121.394 -4.799 19892 163 1 1 . 1 1 105 105 TYR H H 105 8.636 8.636 7.975 0.661 19892 164 1 1 . 1 1 106 106 GLY N N 106 108.162 108.162 105.873 2.289 19892 165 1 1 . 1 1 106 106 GLY H H 106 9.253 9.253 7.578 1.675 19892 166 1 1 . 1 1 107 107 PHE N N 107 121.007 121.007 117.499 3.508 19892 167 1 1 . 1 1 107 107 PHE H H 107 8.777 8.777 7.910 0.867 19892 168 1 1 . 1 1 109 109 TYR N N 109 117.796 117.796 122.179 -4.383 19892 169 1 1 . 1 1 109 109 TYR H H 109 8.596 8.596 8.069 0.527 19892 170 1 1 . 1 1 110 110 GLY N N 110 105.777 105.777 109.058 -3.281 19892 171 1 1 . 1 1 110 110 GLY H H 110 9.008 9.008 7.338 1.670 19892 172 1 1 . 1 1 111 111 ALA N N 111 118.846 118.846 119.333 -0.487 19892 173 1 1 . 1 1 111 111 ALA H H 111 8.492 8.492 7.126 1.366 19892 174 1 1 . 1 1 112 112 GLY N N 112 105.658 105.658 104.668 0.990 19892 175 1 1 . 1 1 112 112 GLY H H 112 7.893 7.893 7.206 0.687 19892 176 1 1 . 1 1 113 113 LEU N N 113 116.176 116.176 113.913 2.263 19892 177 1 1 . 1 1 113 113 LEU H H 113 9.009 9.009 8.409 0.600 19892 178 1 1 . 1 1 114 114 GLN N N 114 115.313 115.313 119.643 -4.330 19892 179 1 1 . 1 1 114 114 GLN H H 114 7.930 7.930 8.453 -0.523 19892 180 1 1 . 1 1 116 116 ASN N N 116 119.872 119.872 121.047 -1.175 19892 181 1 1 . 1 1 116 116 ASN H H 116 9.498 9.498 7.483 2.015 19892 182 1 1 . 1 1 118 118 MET N N 118 109.702 109.702 118.708 -9.006 19892 183 1 1 . 1 1 118 118 MET H H 118 7.330 7.330 7.517 -0.187 19892 184 1 1 . 1 1 119 119 GLU N N 119 120.422 120.422 122.052 -1.630 19892 185 1 1 . 1 1 119 119 GLU H H 119 9.090 9.090 8.754 0.336 19892 186 1 1 . 1 1 120 120 ASN N N 120 111.509 111.509 113.743 -2.234 19892 187 1 1 . 1 1 120 120 ASN H H 120 8.385 8.385 8.308 0.077 19892 188 1 1 . 1 1 121 121 VAL N N 121 117.347 117.347 119.310 -1.963 19892 189 1 1 . 1 1 121 121 VAL H H 121 7.551 7.551 7.058 0.493 19892 190 1 1 . 1 1 122 122 ALA N N 122 126.585 126.585 126.732 -0.147 19892 191 1 1 . 1 1 122 122 ALA H H 122 8.209 8.209 8.098 0.111 19892 192 1 1 . 1 1 123 123 LEU N N 123 120.129 120.129 124.233 -4.104 19892 193 1 1 . 1 1 123 123 LEU H H 123 9.050 9.050 8.210 0.840 19892 194 1 1 . 1 1 124 124 ASP N N 124 126.759 126.759 123.449 3.310 19892 195 1 1 . 1 1 124 124 ASP H H 124 8.603 8.603 7.930 0.673 19892 196 1 1 . 1 1 125 125 PHE N N 125 122.992 122.992 117.640 5.352 19892 197 1 1 . 1 1 125 125 PHE H H 125 8.705 8.705 8.459 0.246 19892 198 1 1 . 1 1 126 126 SER N N 126 118.579 118.579 116.069 2.510 19892 199 1 1 . 1 1 126 126 SER H H 126 9.364 9.364 8.653 0.711 19892 200 1 1 . 1 1 129 129 GLN N N 129 128.676 128.676 121.547 7.129 19892 201 1 1 . 1 1 129 129 GLN H H 129 9.398 9.398 8.287 1.111 19892 202 1 1 . 1 1 131 131 ARG N N 131 126.760 126.760 127.430 -0.670 19892 203 1 1 . 1 1 131 131 ARG H H 131 7.826 7.826 8.140 -0.314 19892 204 1 1 . 1 1 132 132 ILE N N 132 129.144 129.144 126.427 2.717 19892 205 1 1 . 1 1 132 132 ILE H H 132 8.799 8.799 9.044 -0.245 19892 206 1 1 . 1 1 133 133 ARG N N 133 127.114 127.114 121.780 5.334 19892 207 1 1 . 1 1 133 133 ARG H H 133 9.414 9.414 8.577 0.837 19892 208 1 1 . 1 1 135 135 VAL N N 135 124.503 124.503 122.120 2.383 19892 209 1 1 . 1 1 135 135 VAL H H 135 8.307 8.307 7.081 1.226 19892 210 1 1 . 1 1 136 136 ASP N N 136 127.436 127.436 127.174 0.262 19892 211 1 1 . 1 1 136 136 ASP H H 136 8.001 8.001 8.107 -0.106 19892 212 1 1 . 1 1 137 137 VAL N N 137 123.910 123.910 120.378 3.532 19892 213 1 1 . 1 1 137 137 VAL H H 137 8.756 8.756 8.159 0.597 19892 214 1 1 . 1 1 138 138 GLY N N 138 116.455 116.455 110.594 5.861 19892 215 1 1 . 1 1 138 138 GLY H H 138 8.349 8.349 8.275 0.074 19892 216 1 1 . 1 1 139 139 THR N N 139 124.794 124.794 121.465 3.329 19892 217 1 1 . 1 1 139 139 THR H H 139 8.727 8.727 8.366 0.361 19892 218 1 1 . 1 1 141 141 ILE N N 141 124.275 124.275 121.220 3.055 19892 219 1 1 . 1 1 141 141 ILE H H 141 9.099 9.099 8.108 0.991 19892 220 1 1 . 1 1 142 142 ALA N N 142 127.355 127.355 128.213 -0.858 19892 221 1 1 . 1 1 142 142 ALA H H 142 8.499 8.499 8.104 0.395 19892 222 1 1 . 1 1 143 143 GLY N N 143 108.725 108.725 107.641 1.084 19892 223 1 1 . 1 1 143 143 GLY H H 143 9.570 9.570 8.198 1.372 19892 224 1 1 . 1 1 144 144 VAL N N 144 114.300 114.300 116.984 -2.684 19892 225 1 1 . 1 1 144 144 VAL H H 144 8.868 8.868 8.155 0.713 19892 226 1 1 . 1 1 145 145 GLY N N 145 107.482 107.482 106.556 0.926 19892 227 1 1 . 1 1 145 145 GLY H H 145 8.718 8.718 8.218 0.500 19892 228 1 1 . 1 1 146 146 TYR N N 146 121.832 121.832 122.820 -0.988 19892 229 1 1 . 1 1 146 146 TYR H H 146 8.411 8.411 9.024 -0.613 19892 230 1 1 . 1 1 147 147 ARG N N 147 130.069 130.069 124.062 6.007 19892 231 1 1 . 1 1 147 147 ARG H H 147 7.621 7.621 7.249 0.372 19892 232 1 2 . 1 1 3 3 SER N N 3 123.587 123.587 117.797 5.790 19892 233 1 2 . 1 1 3 3 SER H H 3 9.031 9.031 8.337 0.694 19892 234 1 2 . 1 1 4 4 THR N N 4 116.754 116.754 122.000 -5.246 19892 235 1 2 . 1 1 4 4 THR H H 4 8.556 8.556 8.210 0.346 19892 236 1 2 . 1 1 5 5 VAL N N 5 128.336 128.336 125.583 2.753 19892 237 1 2 . 1 1 5 5 VAL H H 5 8.817 8.817 8.943 -0.126 19892 238 1 2 . 1 1 6 6 THR N N 6 115.974 115.974 122.143 -6.169 19892 239 1 2 . 1 1 6 6 THR H H 6 8.968 8.968 8.035 0.933 19892 240 1 2 . 1 1 7 7 GLY N N 7 105.889 105.889 111.395 -5.506 19892 241 1 2 . 1 1 7 7 GLY H H 7 8.766 8.766 7.995 0.771 19892 242 1 2 . 1 1 8 8 GLY N N 8 105.854 105.854 106.760 -0.906 19892 243 1 2 . 1 1 8 8 GLY H H 8 9.126 9.126 7.770 1.356 19892 244 1 2 . 1 1 9 9 TYR N N 9 121.078 121.078 119.705 1.373 19892 245 1 2 . 1 1 9 9 TYR H H 9 8.308 8.308 7.946 0.362 19892 246 1 2 . 1 1 11 11 GLN N N 11 121.317 121.317 124.769 -3.452 19892 247 1 2 . 1 1 11 11 GLN H H 11 8.262 8.262 8.419 -0.157 19892 248 1 2 . 1 1 12 12 SER N N 12 123.836 123.836 116.476 7.360 19892 249 1 2 . 1 1 12 12 SER H H 12 9.194 9.194 8.155 1.039 19892 250 1 2 . 1 1 13 13 ASP N N 13 124.275 124.275 122.266 2.009 19892 251 1 2 . 1 1 13 13 ASP H H 13 9.099 9.099 7.829 1.270 19892 252 1 2 . 1 1 14 14 ALA N N 14 128.864 128.864 122.655 6.209 19892 253 1 2 . 1 1 14 14 ALA H H 14 8.660 8.660 8.426 0.234 19892 254 1 2 . 1 1 15 15 GLN H H 15 8.316 8.316 8.885 -0.569 19892 255 1 2 . 1 1 16 16 GLY N N 16 112.489 112.489 112.132 0.357 19892 256 1 2 . 1 1 16 16 GLY H H 16 8.701 8.701 8.795 -0.094 19892 257 1 2 . 1 1 17 17 GLN N N 17 119.022 119.022 119.259 -0.237 19892 258 1 2 . 1 1 17 17 GLN H H 17 8.111 8.111 7.850 0.261 19892 259 1 2 . 1 1 18 18 MET N N 18 120.328 120.328 119.960 0.368 19892 260 1 2 . 1 1 18 18 MET H H 18 8.657 8.657 8.344 0.313 19892 261 1 2 . 1 1 19 19 ASN N N 19 117.284 117.284 120.881 -3.597 19892 262 1 2 . 1 1 19 19 ASN H H 19 8.009 8.009 8.112 -0.103 19892 263 1 2 . 1 1 20 20 LYS N N 20 121.136 121.136 121.016 0.120 19892 264 1 2 . 1 1 20 20 LYS H H 20 8.548 8.548 8.352 0.196 19892 265 1 2 . 1 1 21 21 MET N N 21 119.903 119.903 117.005 2.898 19892 266 1 2 . 1 1 21 21 MET H H 21 8.618 8.618 7.688 0.930 19892 267 1 2 . 1 1 22 22 GLY N N 22 111.196 111.196 106.869 4.327 19892 268 1 2 . 1 1 22 22 GLY H H 22 8.501 8.501 7.959 0.542 19892 269 1 2 . 1 1 23 23 GLY N N 23 109.325 109.325 111.580 -2.255 19892 270 1 2 . 1 1 23 23 GLY H H 23 8.092 8.092 8.084 0.008 19892 271 1 2 . 1 1 24 24 PHE N N 24 120.147 120.147 115.154 4.993 19892 272 1 2 . 1 1 24 24 PHE H H 24 9.306 9.306 7.522 1.784 19892 273 1 2 . 1 1 25 25 ASN N N 25 118.392 118.392 118.543 -0.151 19892 274 1 2 . 1 1 25 25 ASN H H 25 8.516 8.516 8.273 0.243 19892 275 1 2 . 1 1 26 26 LEU N N 26 125.392 125.392 125.920 -0.528 19892 276 1 2 . 1 1 26 26 LEU H H 26 9.381 9.381 8.094 1.287 19892 277 1 2 . 1 1 27 27 LYS N N 27 117.292 117.292 122.107 -4.815 19892 278 1 2 . 1 1 27 27 LYS H H 27 8.886 8.886 8.013 0.873 19892 279 1 2 . 1 1 28 28 TYR N N 28 120.230 120.230 120.299 -0.069 19892 280 1 2 . 1 1 28 28 TYR H H 28 8.358 8.358 8.476 -0.118 19892 281 1 2 . 1 1 29 29 ARG N N 29 129.080 129.080 122.832 6.248 19892 282 1 2 . 1 1 29 29 ARG H H 29 8.503 8.503 8.535 -0.032 19892 283 1 2 . 1 1 30 30 TYR N N 30 126.838 126.838 126.141 0.697 19892 284 1 2 . 1 1 30 30 TYR H H 30 8.891 8.891 8.393 0.498 19892 285 1 2 . 1 1 31 31 GLU N N 31 128.005 128.005 126.640 1.365 19892 286 1 2 . 1 1 31 31 GLU H H 31 8.202 8.202 7.751 0.451 19892 287 1 2 . 1 1 32 32 GLU N N 32 122.404 122.404 123.430 -1.026 19892 288 1 2 . 1 1 32 32 GLU H H 32 9.137 9.137 8.717 0.420 19892 289 1 2 . 1 1 33 33 ASP N N 33 121.672 121.672 126.129 -4.457 19892 290 1 2 . 1 1 33 33 ASP H H 33 8.599 8.599 8.776 -0.177 19892 291 1 2 . 1 1 35 35 SER N N 35 113.001 113.001 110.810 2.191 19892 292 1 2 . 1 1 35 35 SER H H 35 7.363 7.363 7.642 -0.279 19892 293 1 2 . 1 1 37 37 LEU N N 37 123.171 123.171 123.130 0.041 19892 294 1 2 . 1 1 37 37 LEU H H 37 8.027 8.027 7.551 0.477 19892 295 1 2 . 1 1 38 38 GLY N N 38 115.826 115.826 112.248 3.578 19892 296 1 2 . 1 1 38 38 GLY H H 38 9.050 9.050 7.970 1.080 19892 297 1 2 . 1 1 39 39 VAL N N 39 117.450 117.450 124.829 -7.379 19892 298 1 2 . 1 1 39 39 VAL H H 39 8.082 8.082 7.795 0.287 19892 299 1 2 . 1 1 40 40 ILE N N 40 125.944 125.944 125.850 0.094 19892 300 1 2 . 1 1 40 40 ILE H H 40 9.229 9.229 8.685 0.544 19892 301 1 2 . 1 1 41 41 GLY N N 41 111.187 111.187 111.651 -0.464 19892 302 1 2 . 1 1 41 41 GLY H H 41 9.112 9.112 8.867 0.245 19892 303 1 2 . 1 1 42 42 SER N N 42 116.459 116.459 117.404 -0.945 19892 304 1 2 . 1 1 42 42 SER H H 42 9.282 9.282 8.841 0.441 19892 305 1 2 . 1 1 43 43 PHE N N 43 128.932 128.932 126.400 2.532 19892 306 1 2 . 1 1 43 43 PHE H H 43 9.335 9.335 8.611 0.724 19892 307 1 2 . 1 1 44 44 THR N N 44 126.670 126.670 123.106 3.564 19892 308 1 2 . 1 1 44 44 THR H H 44 8.685 8.685 7.928 0.757 19892 309 1 2 . 1 1 45 45 TYR N N 45 125.515 125.515 127.022 -1.507 19892 310 1 2 . 1 1 45 45 TYR H H 45 8.176 8.176 7.667 0.509 19892 311 1 2 . 1 1 46 46 THR N N 46 117.315 117.315 124.043 -6.728 19892 312 1 2 . 1 1 46 46 THR H H 46 8.574 8.574 7.729 0.845 19892 313 1 2 . 1 1 47 47 GLU N N 47 111.930 111.930 123.523 -11.593 19892 314 1 2 . 1 1 47 47 GLU H H 47 8.338 8.338 8.054 0.284 19892 315 1 2 . 1 1 49 49 SER N N 49 123.107 123.107 117.526 5.581 19892 316 1 2 . 1 1 49 49 SER H H 49 8.611 8.611 8.513 0.098 19892 317 1 2 . 1 1 52 52 ALA N N 52 127.376 127.376 122.467 4.909 19892 318 1 2 . 1 1 52 52 ALA H H 52 8.512 8.512 7.921 0.591 19892 319 1 2 . 1 1 55 55 GLY N N 55 110.790 110.790 110.721 0.069 19892 320 1 2 . 1 1 55 55 GLY H H 55 8.245 8.245 8.767 -0.522 19892 321 1 2 . 1 1 56 56 ASP N N 56 120.332 120.332 119.168 1.164 19892 322 1 2 . 1 1 56 56 ASP H H 56 7.848 7.848 8.015 -0.167 19892 323 1 2 . 1 1 57 57 TYR N N 57 121.702 121.702 122.225 -0.523 19892 324 1 2 . 1 1 57 57 TYR H H 57 8.313 8.313 8.416 -0.103 19892 325 1 2 . 1 1 58 58 ASN N N 58 122.198 122.198 115.977 6.221 19892 326 1 2 . 1 1 58 58 ASN H H 58 8.360 8.360 8.300 0.060 19892 327 1 2 . 1 1 59 59 LYS N N 59 121.010 121.010 115.559 5.451 19892 328 1 2 . 1 1 59 59 LYS H H 59 8.276 8.276 7.748 0.528 19892 329 1 2 . 1 1 60 60 ASN N N 60 123.086 123.086 116.258 6.828 19892 330 1 2 . 1 1 60 60 ASN H H 60 8.397 8.397 8.038 0.359 19892 331 1 2 . 1 1 61 61 GLN N N 61 120.020 120.020 120.785 -0.765 19892 332 1 2 . 1 1 61 61 GLN H H 61 8.499 8.499 7.746 0.753 19892 333 1 2 . 1 1 62 62 TYR N N 62 123.137 123.137 121.598 1.539 19892 334 1 2 . 1 1 62 62 TYR H H 62 8.650 8.650 7.477 1.173 19892 335 1 2 . 1 1 63 63 TYR N N 63 123.929 123.929 125.689 -1.760 19892 336 1 2 . 1 1 63 63 TYR H H 63 8.381 8.381 8.380 0.001 19892 337 1 2 . 1 1 64 64 GLY N N 64 106.738 106.738 109.959 -3.221 19892 338 1 2 . 1 1 64 64 GLY H H 64 8.704 8.704 7.912 0.792 19892 339 1 2 . 1 1 65 65 ILE N N 65 128.892 128.892 127.119 1.773 19892 340 1 2 . 1 1 65 65 ILE H H 65 9.140 9.140 8.995 0.145 19892 341 1 2 . 1 1 66 66 THR N N 66 115.392 115.392 117.238 -1.846 19892 342 1 2 . 1 1 66 66 THR H H 66 9.025 9.025 8.714 0.311 19892 343 1 2 . 1 1 67 67 ALA N N 67 118.885 118.885 124.869 -5.984 19892 344 1 2 . 1 1 67 67 ALA H H 67 9.387 9.387 8.912 0.475 19892 345 1 2 . 1 1 68 68 GLY N N 68 103.875 103.875 106.407 -2.532 19892 346 1 2 . 1 1 68 68 GLY H H 68 9.016 9.016 7.989 1.027 19892 347 1 2 . 1 1 70 70 ALA N N 70 120.214 120.214 119.192 1.022 19892 348 1 2 . 1 1 70 70 ALA H H 70 7.875 7.875 7.729 0.146 19892 349 1 2 . 1 1 71 71 TYR N N 71 125.130 125.130 120.324 4.806 19892 350 1 2 . 1 1 71 71 TYR H H 71 9.786 9.786 7.922 1.864 19892 351 1 2 . 1 1 72 72 ARG N N 72 131.150 131.150 126.549 4.601 19892 352 1 2 . 1 1 72 72 ARG H H 72 8.860 8.860 8.864 -0.004 19892 353 1 2 . 1 1 73 73 ILE N N 73 129.066 129.066 121.106 7.960 19892 354 1 2 . 1 1 73 73 ILE H H 73 8.475 8.475 8.508 -0.033 19892 355 1 2 . 1 1 77 77 ALA N N 77 124.611 124.611 115.562 9.049 19892 356 1 2 . 1 1 77 77 ALA H H 77 7.817 7.817 7.426 0.391 19892 357 1 2 . 1 1 78 78 SER N N 78 112.605 112.605 114.051 -1.446 19892 358 1 2 . 1 1 78 78 SER H H 78 8.195 8.195 7.918 0.277 19892 359 1 2 . 1 1 79 79 ILE N N 79 119.871 119.871 120.542 -0.671 19892 360 1 2 . 1 1 79 79 ILE H H 79 9.072 9.072 7.645 1.427 19892 361 1 2 . 1 1 80 80 TYR N N 80 119.773 119.773 123.672 -3.899 19892 362 1 2 . 1 1 80 80 TYR H H 80 8.439 8.439 8.457 -0.018 19892 363 1 2 . 1 1 81 81 GLY N N 81 105.795 105.795 107.944 -2.149 19892 364 1 2 . 1 1 81 81 GLY H H 81 8.135 8.135 8.146 -0.011 19892 365 1 2 . 1 1 82 82 VAL N N 82 111.057 111.057 116.094 -5.037 19892 366 1 2 . 1 1 82 82 VAL H H 82 8.553 8.553 8.728 -0.175 19892 367 1 2 . 1 1 83 83 VAL N N 83 113.157 113.157 123.869 -10.712 19892 368 1 2 . 1 1 83 83 VAL H H 83 9.021 9.021 8.369 0.652 19892 369 1 2 . 1 1 84 84 GLY N N 84 107.838 107.838 112.241 -4.403 19892 370 1 2 . 1 1 84 84 GLY H H 84 8.593 8.593 8.064 0.529 19892 371 1 2 . 1 1 85 85 VAL N N 85 122.494 122.494 116.972 5.522 19892 372 1 2 . 1 1 85 85 VAL H H 85 8.977 8.977 7.905 1.072 19892 373 1 2 . 1 1 86 86 GLY N N 86 113.663 113.663 108.666 4.997 19892 374 1 2 . 1 1 86 86 GLY H H 86 8.871 8.871 8.194 0.677 19892 375 1 2 . 1 1 87 87 TYR N N 87 123.276 123.276 119.948 3.328 19892 376 1 2 . 1 1 87 87 TYR H H 87 9.213 9.213 8.325 0.888 19892 377 1 2 . 1 1 89 89 LYS N N 89 122.370 122.370 121.682 0.688 19892 378 1 2 . 1 1 89 89 LYS H H 89 8.130 8.130 7.670 0.460 19892 379 1 2 . 1 1 91 91 GLN N N 91 121.297 121.297 123.021 -1.724 19892 380 1 2 . 1 1 91 91 GLN H H 91 8.374 8.374 8.722 -0.348 19892 381 1 2 . 1 1 95 95 TYR N N 95 123.254 123.254 123.745 -0.491 19892 382 1 2 . 1 1 95 95 TYR H H 95 8.263 8.263 8.351 -0.088 19892 383 1 2 . 1 1 98 98 TYR N N 98 122.383 122.383 121.991 0.392 19892 384 1 2 . 1 1 98 98 TYR H H 98 8.110 8.110 7.966 0.144 19892 385 1 2 . 1 1 99 99 LYS N N 99 122.511 122.511 115.710 6.801 19892 386 1 2 . 1 1 99 99 LYS H H 99 8.019 8.019 8.549 -0.530 19892 387 1 2 . 1 1 102 102 THR N N 102 113.735 113.735 111.787 1.948 19892 388 1 2 . 1 1 102 102 THR H H 102 8.167 8.167 7.589 0.578 19892 389 1 2 . 1 1 103 103 SER N N 103 119.198 119.198 115.937 3.261 19892 390 1 2 . 1 1 103 103 SER H H 103 8.381 8.381 8.390 -0.009 19892 391 1 2 . 1 1 104 104 ASP N N 104 122.272 122.272 122.030 0.242 19892 392 1 2 . 1 1 104 104 ASP H H 104 8.203 8.203 8.073 0.130 19892 393 1 2 . 1 1 105 105 TYR N N 105 116.595 116.595 119.488 -2.893 19892 394 1 2 . 1 1 105 105 TYR H H 105 8.636 8.636 8.570 0.066 19892 395 1 2 . 1 1 106 106 GLY N N 106 108.162 108.162 106.853 1.309 19892 396 1 2 . 1 1 106 106 GLY H H 106 9.253 9.253 8.075 1.178 19892 397 1 2 . 1 1 107 107 PHE N N 107 121.007 121.007 117.252 3.755 19892 398 1 2 . 1 1 107 107 PHE H H 107 8.777 8.777 8.025 0.752 19892 399 1 2 . 1 1 109 109 TYR N N 109 117.796 117.796 122.429 -4.633 19892 400 1 2 . 1 1 109 109 TYR H H 109 8.596 8.596 8.304 0.292 19892 401 1 2 . 1 1 110 110 GLY N N 110 105.777 105.777 109.625 -3.848 19892 402 1 2 . 1 1 110 110 GLY H H 110 9.008 9.008 7.510 1.498 19892 403 1 2 . 1 1 111 111 ALA N N 111 118.846 118.846 119.841 -0.995 19892 404 1 2 . 1 1 111 111 ALA H H 111 8.492 8.492 7.880 0.612 19892 405 1 2 . 1 1 112 112 GLY N N 112 105.658 105.658 105.829 -0.171 19892 406 1 2 . 1 1 112 112 GLY H H 112 7.893 7.893 8.375 -0.482 19892 407 1 2 . 1 1 113 113 LEU N N 113 116.176 116.176 119.269 -3.093 19892 408 1 2 . 1 1 113 113 LEU H H 113 9.009 9.009 8.237 0.772 19892 409 1 2 . 1 1 114 114 GLN N N 114 115.313 115.313 121.162 -5.849 19892 410 1 2 . 1 1 114 114 GLN H H 114 7.930 7.930 8.058 -0.128 19892 411 1 2 . 1 1 116 116 ASN N N 116 119.872 119.872 120.119 -0.247 19892 412 1 2 . 1 1 116 116 ASN H H 116 9.498 9.498 8.506 0.992 19892 413 1 2 . 1 1 118 118 MET N N 118 109.702 109.702 116.464 -6.762 19892 414 1 2 . 1 1 118 118 MET H H 118 7.330 7.330 7.630 -0.300 19892 415 1 2 . 1 1 119 119 GLU N N 119 120.422 120.422 121.744 -1.322 19892 416 1 2 . 1 1 119 119 GLU H H 119 9.090 9.090 8.789 0.301 19892 417 1 2 . 1 1 120 120 ASN N N 120 111.509 111.509 112.488 -0.979 19892 418 1 2 . 1 1 120 120 ASN H H 120 8.385 8.385 8.463 -0.078 19892 419 1 2 . 1 1 121 121 VAL N N 121 117.347 117.347 111.838 5.509 19892 420 1 2 . 1 1 121 121 VAL H H 121 7.551 7.551 7.086 0.465 19892 421 1 2 . 1 1 122 122 ALA N N 122 126.585 126.585 127.947 -1.362 19892 422 1 2 . 1 1 122 122 ALA H H 122 8.209 8.209 8.088 0.121 19892 423 1 2 . 1 1 123 123 LEU N N 123 120.129 120.129 120.577 -0.448 19892 424 1 2 . 1 1 123 123 LEU H H 123 9.050 9.050 8.086 0.964 19892 425 1 2 . 1 1 124 124 ASP N N 124 126.759 126.759 119.531 7.228 19892 426 1 2 . 1 1 124 124 ASP H H 124 8.603 8.603 8.369 0.234 19892 427 1 2 . 1 1 125 125 PHE N N 125 122.992 122.992 120.513 2.479 19892 428 1 2 . 1 1 125 125 PHE H H 125 8.705 8.705 8.441 0.264 19892 429 1 2 . 1 1 126 126 SER N N 126 118.579 118.579 118.076 0.503 19892 430 1 2 . 1 1 126 126 SER H H 126 9.364 9.364 7.560 1.804 19892 431 1 2 . 1 1 129 129 GLN N N 129 128.676 128.676 127.761 0.915 19892 432 1 2 . 1 1 129 129 GLN H H 129 9.398 9.398 8.718 0.680 19892 433 1 2 . 1 1 131 131 ARG N N 131 126.760 126.760 125.369 1.391 19892 434 1 2 . 1 1 131 131 ARG H H 131 7.826 7.826 8.238 -0.412 19892 435 1 2 . 1 1 132 132 ILE N N 132 129.144 129.144 123.762 5.382 19892 436 1 2 . 1 1 132 132 ILE H H 132 8.799 8.799 8.941 -0.142 19892 437 1 2 . 1 1 133 133 ARG N N 133 127.114 127.114 124.010 3.104 19892 438 1 2 . 1 1 133 133 ARG H H 133 9.414 9.414 8.612 0.802 19892 439 1 2 . 1 1 135 135 VAL N N 135 124.503 124.503 122.668 1.835 19892 440 1 2 . 1 1 135 135 VAL H H 135 8.307 8.307 7.065 1.242 19892 441 1 2 . 1 1 136 136 ASP N N 136 127.436 127.436 127.829 -0.393 19892 442 1 2 . 1 1 136 136 ASP H H 136 8.001 8.001 8.192 -0.191 19892 443 1 2 . 1 1 137 137 VAL N N 137 123.910 123.910 125.804 -1.894 19892 444 1 2 . 1 1 137 137 VAL H H 137 8.756 8.756 8.155 0.601 19892 445 1 2 . 1 1 138 138 GLY N N 138 116.455 116.455 112.497 3.958 19892 446 1 2 . 1 1 138 138 GLY H H 138 8.349 8.349 8.605 -0.256 19892 447 1 2 . 1 1 139 139 THR N N 139 124.794 124.794 121.342 3.452 19892 448 1 2 . 1 1 139 139 THR H H 139 8.727 8.727 8.338 0.389 19892 449 1 2 . 1 1 141 141 ILE N N 141 124.275 124.275 121.271 3.004 19892 450 1 2 . 1 1 141 141 ILE H H 141 9.099 9.099 7.625 1.474 19892 451 1 2 . 1 1 142 142 ALA N N 142 127.355 127.355 128.877 -1.522 19892 452 1 2 . 1 1 142 142 ALA H H 142 8.499 8.499 8.034 0.465 19892 453 1 2 . 1 1 143 143 GLY N N 143 108.725 108.725 109.755 -1.030 19892 454 1 2 . 1 1 143 143 GLY H H 143 9.570 9.570 8.190 1.380 19892 455 1 2 . 1 1 144 144 VAL N N 144 114.300 114.300 119.443 -5.143 19892 456 1 2 . 1 1 144 144 VAL H H 144 8.868 8.868 8.236 0.632 19892 457 1 2 . 1 1 145 145 GLY N N 145 107.482 107.482 108.498 -1.016 19892 458 1 2 . 1 1 145 145 GLY H H 145 8.718 8.718 7.592 1.126 19892 459 1 2 . 1 1 146 146 TYR N N 146 121.832 121.832 122.000 -0.168 19892 460 1 2 . 1 1 146 146 TYR H H 146 8.411 8.411 9.238 -0.827 19892 461 1 2 . 1 1 147 147 ARG N N 147 130.069 130.069 125.213 4.856 19892 462 1 2 . 1 1 147 147 ARG H H 147 7.621 7.621 8.717 -1.096 19892 463 1 3 . 1 1 3 3 SER N N 3 123.587 123.587 115.597 7.990 19892 464 1 3 . 1 1 3 3 SER H H 3 9.031 9.031 8.412 0.619 19892 465 1 3 . 1 1 4 4 THR N N 4 116.754 116.754 118.728 -1.974 19892 466 1 3 . 1 1 4 4 THR H H 4 8.556 8.556 8.237 0.319 19892 467 1 3 . 1 1 5 5 VAL N N 5 128.336 128.336 125.882 2.454 19892 468 1 3 . 1 1 5 5 VAL H H 5 8.817 8.817 8.884 -0.067 19892 469 1 3 . 1 1 6 6 THR N N 6 115.974 115.974 122.117 -6.143 19892 470 1 3 . 1 1 6 6 THR H H 6 8.968 8.968 7.998 0.970 19892 471 1 3 . 1 1 7 7 GLY N N 7 105.889 105.889 111.942 -6.053 19892 472 1 3 . 1 1 7 7 GLY H H 7 8.766 8.766 7.895 0.871 19892 473 1 3 . 1 1 8 8 GLY N N 8 105.854 105.854 106.772 -0.918 19892 474 1 3 . 1 1 8 8 GLY H H 8 9.126 9.126 7.848 1.278 19892 475 1 3 . 1 1 9 9 TYR N N 9 121.078 121.078 117.180 3.898 19892 476 1 3 . 1 1 9 9 TYR H H 9 8.308 8.308 7.745 0.563 19892 477 1 3 . 1 1 11 11 GLN N N 11 121.317 121.317 123.815 -2.498 19892 478 1 3 . 1 1 11 11 GLN H H 11 8.262 8.262 8.817 -0.555 19892 479 1 3 . 1 1 12 12 SER N N 12 123.836 123.836 122.731 1.105 19892 480 1 3 . 1 1 12 12 SER H H 12 9.194 9.194 8.145 1.049 19892 481 1 3 . 1 1 13 13 ASP N N 13 124.275 124.275 121.771 2.504 19892 482 1 3 . 1 1 13 13 ASP H H 13 9.099 9.099 7.856 1.243 19892 483 1 3 . 1 1 14 14 ALA N N 14 128.864 128.864 124.839 4.025 19892 484 1 3 . 1 1 14 14 ALA H H 14 8.660 8.660 8.483 0.177 19892 485 1 3 . 1 1 15 15 GLN H H 15 8.316 8.316 8.981 -0.665 19892 486 1 3 . 1 1 16 16 GLY N N 16 112.489 112.489 114.448 -1.959 19892 487 1 3 . 1 1 16 16 GLY H H 16 8.701 8.701 8.697 0.004 19892 488 1 3 . 1 1 17 17 GLN N N 17 119.022 119.022 121.693 -2.671 19892 489 1 3 . 1 1 17 17 GLN H H 17 8.111 8.111 7.674 0.437 19892 490 1 3 . 1 1 18 18 MET N N 18 120.328 120.328 123.303 -2.975 19892 491 1 3 . 1 1 18 18 MET H H 18 8.657 8.657 8.404 0.253 19892 492 1 3 . 1 1 19 19 ASN N N 19 117.284 117.284 118.426 -1.142 19892 493 1 3 . 1 1 19 19 ASN H H 19 8.009 8.009 8.005 0.004 19892 494 1 3 . 1 1 20 20 LYS N N 20 121.136 121.136 122.672 -1.536 19892 495 1 3 . 1 1 20 20 LYS H H 20 8.548 8.548 8.271 0.277 19892 496 1 3 . 1 1 21 21 MET N N 21 119.903 119.903 118.539 1.364 19892 497 1 3 . 1 1 21 21 MET H H 21 8.618 8.618 7.872 0.746 19892 498 1 3 . 1 1 22 22 GLY N N 22 111.196 111.196 107.405 3.791 19892 499 1 3 . 1 1 22 22 GLY H H 22 8.501 8.501 7.982 0.519 19892 500 1 3 . 1 1 23 23 GLY N N 23 109.325 109.325 110.830 -1.505 19892 501 1 3 . 1 1 23 23 GLY H H 23 8.092 8.092 7.683 0.409 19892 502 1 3 . 1 1 24 24 PHE N N 24 120.147 120.147 115.216 4.931 19892 503 1 3 . 1 1 24 24 PHE H H 24 9.306 9.306 7.006 2.300 19892 504 1 3 . 1 1 25 25 ASN N N 25 118.392 118.392 118.742 -0.350 19892 505 1 3 . 1 1 25 25 ASN H H 25 8.516 8.516 8.391 0.125 19892 506 1 3 . 1 1 26 26 LEU N N 26 125.392 125.392 125.776 -0.384 19892 507 1 3 . 1 1 26 26 LEU H H 26 9.381 9.381 8.118 1.263 19892 508 1 3 . 1 1 27 27 LYS N N 27 117.292 117.292 123.689 -6.397 19892 509 1 3 . 1 1 27 27 LYS H H 27 8.886 8.886 8.129 0.757 19892 510 1 3 . 1 1 28 28 TYR N N 28 120.230 120.230 120.611 -0.381 19892 511 1 3 . 1 1 28 28 TYR H H 28 8.358 8.358 8.293 0.065 19892 512 1 3 . 1 1 29 29 ARG N N 29 129.080 129.080 123.720 5.360 19892 513 1 3 . 1 1 29 29 ARG H H 29 8.503 8.503 8.334 0.169 19892 514 1 3 . 1 1 30 30 TYR N N 30 126.838 126.838 127.714 -0.876 19892 515 1 3 . 1 1 30 30 TYR H H 30 8.891 8.891 8.489 0.402 19892 516 1 3 . 1 1 31 31 GLU N N 31 128.005 128.005 124.914 3.091 19892 517 1 3 . 1 1 31 31 GLU H H 31 8.202 8.202 7.834 0.368 19892 518 1 3 . 1 1 32 32 GLU N N 32 122.404 122.404 120.309 2.095 19892 519 1 3 . 1 1 32 32 GLU H H 32 9.137 9.137 8.441 0.696 19892 520 1 3 . 1 1 33 33 ASP N N 33 121.672 121.672 126.293 -4.621 19892 521 1 3 . 1 1 33 33 ASP H H 33 8.599 8.599 8.757 -0.158 19892 522 1 3 . 1 1 35 35 SER N N 35 113.001 113.001 113.364 -0.363 19892 523 1 3 . 1 1 35 35 SER H H 35 7.363 7.363 7.727 -0.364 19892 524 1 3 . 1 1 37 37 LEU N N 37 123.171 123.171 120.021 3.150 19892 525 1 3 . 1 1 37 37 LEU H H 37 8.027 8.027 7.221 0.806 19892 526 1 3 . 1 1 38 38 GLY N N 38 115.826 115.826 109.248 6.578 19892 527 1 3 . 1 1 38 38 GLY H H 38 9.050 9.050 7.736 1.314 19892 528 1 3 . 1 1 39 39 VAL N N 39 117.450 117.450 123.168 -5.718 19892 529 1 3 . 1 1 39 39 VAL H H 39 8.082 8.082 8.069 0.014 19892 530 1 3 . 1 1 40 40 ILE N N 40 125.944 125.944 126.992 -1.048 19892 531 1 3 . 1 1 40 40 ILE H H 40 9.229 9.229 8.301 0.928 19892 532 1 3 . 1 1 41 41 GLY N N 41 111.187 111.187 113.036 -1.849 19892 533 1 3 . 1 1 41 41 GLY H H 41 9.112 9.112 8.412 0.700 19892 534 1 3 . 1 1 42 42 SER N N 42 116.459 116.459 117.855 -1.396 19892 535 1 3 . 1 1 42 42 SER H H 42 9.282 9.282 8.680 0.602 19892 536 1 3 . 1 1 43 43 PHE N N 43 128.932 128.932 120.969 7.963 19892 537 1 3 . 1 1 43 43 PHE H H 43 9.335 9.335 8.405 0.930 19892 538 1 3 . 1 1 44 44 THR N N 44 126.670 126.670 116.833 9.837 19892 539 1 3 . 1 1 44 44 THR H H 44 8.685 8.685 8.186 0.499 19892 540 1 3 . 1 1 45 45 TYR N N 45 125.515 125.515 124.208 1.307 19892 541 1 3 . 1 1 45 45 TYR H H 45 8.176 8.176 8.156 0.020 19892 542 1 3 . 1 1 46 46 THR N N 46 117.315 117.315 121.991 -4.676 19892 543 1 3 . 1 1 46 46 THR H H 46 8.574 8.574 9.123 -0.548 19892 544 1 3 . 1 1 47 47 GLU N N 47 111.930 111.930 124.349 -12.419 19892 545 1 3 . 1 1 47 47 GLU H H 47 8.338 8.338 8.189 0.149 19892 546 1 3 . 1 1 49 49 SER N N 49 123.107 123.107 117.985 5.122 19892 547 1 3 . 1 1 49 49 SER H H 49 8.611 8.611 8.524 0.087 19892 548 1 3 . 1 1 52 52 ALA N N 52 127.376 127.376 125.364 2.012 19892 549 1 3 . 1 1 52 52 ALA H H 52 8.512 8.512 8.330 0.182 19892 550 1 3 . 1 1 55 55 GLY N N 55 110.790 110.790 109.038 1.752 19892 551 1 3 . 1 1 55 55 GLY H H 55 8.245 8.245 7.835 0.410 19892 552 1 3 . 1 1 56 56 ASP N N 56 120.332 120.332 123.589 -3.257 19892 553 1 3 . 1 1 56 56 ASP H H 56 7.848 7.848 8.542 -0.694 19892 554 1 3 . 1 1 57 57 TYR N N 57 121.702 121.702 117.112 4.590 19892 555 1 3 . 1 1 57 57 TYR H H 57 8.313 8.313 8.225 0.088 19892 556 1 3 . 1 1 58 58 ASN N N 58 122.198 122.198 121.935 0.263 19892 557 1 3 . 1 1 58 58 ASN H H 58 8.360 8.360 8.073 0.287 19892 558 1 3 . 1 1 59 59 LYS N N 59 121.010 121.010 123.522 -2.512 19892 559 1 3 . 1 1 59 59 LYS H H 59 8.276 8.276 8.512 -0.236 19892 560 1 3 . 1 1 60 60 ASN N N 60 123.086 123.086 116.660 6.426 19892 561 1 3 . 1 1 60 60 ASN H H 60 8.397 8.397 8.256 0.141 19892 562 1 3 . 1 1 61 61 GLN N N 61 120.020 120.020 119.322 0.698 19892 563 1 3 . 1 1 61 61 GLN H H 61 8.499 8.499 8.267 0.232 19892 564 1 3 . 1 1 62 62 TYR N N 62 123.137 123.137 124.955 -1.818 19892 565 1 3 . 1 1 62 62 TYR H H 62 8.650 8.650 9.085 -0.435 19892 566 1 3 . 1 1 63 63 TYR N N 63 123.929 123.929 129.438 -5.509 19892 567 1 3 . 1 1 63 63 TYR H H 63 8.381 8.381 8.191 0.190 19892 568 1 3 . 1 1 64 64 GLY N N 64 106.738 106.738 111.370 -4.632 19892 569 1 3 . 1 1 64 64 GLY H H 64 8.704 8.704 7.565 1.139 19892 570 1 3 . 1 1 65 65 ILE N N 65 128.892 128.892 116.697 12.195 19892 571 1 3 . 1 1 65 65 ILE H H 65 9.140 9.140 7.924 1.216 19892 572 1 3 . 1 1 66 66 THR N N 66 115.392 115.392 114.461 0.931 19892 573 1 3 . 1 1 66 66 THR H H 66 9.025 9.025 7.946 1.079 19892 574 1 3 . 1 1 67 67 ALA N N 67 118.885 118.885 124.705 -5.820 19892 575 1 3 . 1 1 67 67 ALA H H 67 9.387 9.387 8.346 1.041 19892 576 1 3 . 1 1 68 68 GLY N N 68 103.875 103.875 106.000 -2.125 19892 577 1 3 . 1 1 68 68 GLY H H 68 9.016 9.016 7.864 1.152 19892 578 1 3 . 1 1 70 70 ALA N N 70 120.214 120.214 119.212 1.002 19892 579 1 3 . 1 1 70 70 ALA H H 70 7.875 7.875 7.669 0.206 19892 580 1 3 . 1 1 71 71 TYR N N 71 125.130 125.130 119.640 5.490 19892 581 1 3 . 1 1 71 71 TYR H H 71 9.786 9.786 7.843 1.943 19892 582 1 3 . 1 1 72 72 ARG N N 72 131.150 131.150 124.525 6.625 19892 583 1 3 . 1 1 72 72 ARG H H 72 8.860 8.860 8.861 -0.001 19892 584 1 3 . 1 1 73 73 ILE N N 73 129.066 129.066 125.245 3.821 19892 585 1 3 . 1 1 73 73 ILE H H 73 8.475 8.475 8.361 0.114 19892 586 1 3 . 1 1 77 77 ALA N N 77 124.611 124.611 118.238 6.373 19892 587 1 3 . 1 1 77 77 ALA H H 77 7.817 7.817 7.371 0.446 19892 588 1 3 . 1 1 78 78 SER N N 78 112.605 112.605 117.405 -4.800 19892 589 1 3 . 1 1 78 78 SER H H 78 8.195 8.195 7.867 0.329 19892 590 1 3 . 1 1 79 79 ILE N N 79 119.871 119.871 116.430 3.441 19892 591 1 3 . 1 1 79 79 ILE H H 79 9.072 9.072 8.047 1.025 19892 592 1 3 . 1 1 80 80 TYR N N 80 119.773 119.773 121.613 -1.840 19892 593 1 3 . 1 1 80 80 TYR H H 80 8.439 8.439 8.388 0.051 19892 594 1 3 . 1 1 81 81 GLY N N 81 105.795 105.795 107.972 -2.177 19892 595 1 3 . 1 1 81 81 GLY H H 81 8.135 8.135 8.122 0.013 19892 596 1 3 . 1 1 82 82 VAL N N 82 111.057 111.057 116.207 -5.150 19892 597 1 3 . 1 1 82 82 VAL H H 82 8.553 8.553 8.713 -0.160 19892 598 1 3 . 1 1 83 83 VAL N N 83 113.157 113.157 118.559 -5.402 19892 599 1 3 . 1 1 83 83 VAL H H 83 9.021 9.021 8.119 0.902 19892 600 1 3 . 1 1 84 84 GLY N N 84 107.838 107.838 110.790 -2.952 19892 601 1 3 . 1 1 84 84 GLY H H 84 8.593 8.593 7.947 0.646 19892 602 1 3 . 1 1 85 85 VAL N N 85 122.494 122.494 121.175 1.319 19892 603 1 3 . 1 1 85 85 VAL H H 85 8.977 8.977 7.840 1.137 19892 604 1 3 . 1 1 86 86 GLY N N 86 113.663 113.663 113.560 0.103 19892 605 1 3 . 1 1 86 86 GLY H H 86 8.871 8.871 8.734 0.137 19892 606 1 3 . 1 1 87 87 TYR N N 87 123.276 123.276 123.192 0.084 19892 607 1 3 . 1 1 87 87 TYR H H 87 9.213 9.213 8.481 0.732 19892 608 1 3 . 1 1 89 89 LYS N N 89 122.370 122.370 125.667 -3.297 19892 609 1 3 . 1 1 89 89 LYS H H 89 8.130 8.130 7.754 0.376 19892 610 1 3 . 1 1 91 91 GLN N N 91 121.297 121.297 126.453 -5.156 19892 611 1 3 . 1 1 91 91 GLN H H 91 8.374 8.374 7.936 0.438 19892 612 1 3 . 1 1 95 95 TYR N N 95 123.254 123.254 121.521 1.733 19892 613 1 3 . 1 1 95 95 TYR H H 95 8.263 8.263 8.832 -0.569 19892 614 1 3 . 1 1 98 98 TYR N N 98 122.383 122.383 119.850 2.533 19892 615 1 3 . 1 1 98 98 TYR H H 98 8.110 8.110 7.453 0.657 19892 616 1 3 . 1 1 99 99 LYS N N 99 122.511 122.511 121.172 1.339 19892 617 1 3 . 1 1 99 99 LYS H H 99 8.019 8.019 8.988 -0.969 19892 618 1 3 . 1 1 102 102 THR N N 102 113.735 113.735 115.763 -2.028 19892 619 1 3 . 1 1 102 102 THR H H 102 8.167 8.167 7.995 0.172 19892 620 1 3 . 1 1 103 103 SER N N 103 119.198 119.198 114.992 4.206 19892 621 1 3 . 1 1 103 103 SER H H 103 8.381 8.381 7.520 0.861 19892 622 1 3 . 1 1 104 104 ASP N N 104 122.272 122.272 120.174 2.098 19892 623 1 3 . 1 1 104 104 ASP H H 104 8.203 8.203 7.545 0.658 19892 624 1 3 . 1 1 105 105 TYR N N 105 116.595 116.595 118.677 -2.082 19892 625 1 3 . 1 1 105 105 TYR H H 105 8.636 8.636 8.581 0.055 19892 626 1 3 . 1 1 106 106 GLY N N 106 108.162 108.162 107.013 1.149 19892 627 1 3 . 1 1 106 106 GLY H H 106 9.253 9.253 8.318 0.935 19892 628 1 3 . 1 1 107 107 PHE N N 107 121.007 121.007 119.425 1.582 19892 629 1 3 . 1 1 107 107 PHE H H 107 8.777 8.777 8.173 0.604 19892 630 1 3 . 1 1 109 109 TYR N N 109 117.796 117.796 124.800 -7.004 19892 631 1 3 . 1 1 109 109 TYR H H 109 8.596 8.596 8.056 0.540 19892 632 1 3 . 1 1 110 110 GLY N N 110 105.777 105.777 109.603 -3.826 19892 633 1 3 . 1 1 110 110 GLY H H 110 9.008 9.008 7.606 1.402 19892 634 1 3 . 1 1 111 111 ALA N N 111 118.846 118.846 119.896 -1.050 19892 635 1 3 . 1 1 111 111 ALA H H 111 8.492 8.492 7.895 0.597 19892 636 1 3 . 1 1 112 112 GLY N N 112 105.658 105.658 105.770 -0.112 19892 637 1 3 . 1 1 112 112 GLY H H 112 7.893 7.893 8.593 -0.700 19892 638 1 3 . 1 1 113 113 LEU N N 113 116.176 116.176 118.463 -2.287 19892 639 1 3 . 1 1 113 113 LEU H H 113 9.009 9.009 8.160 0.849 19892 640 1 3 . 1 1 114 114 GLN N N 114 115.313 115.313 119.517 -4.204 19892 641 1 3 . 1 1 114 114 GLN H H 114 7.930 7.930 8.536 -0.606 19892 642 1 3 . 1 1 116 116 ASN N N 116 119.872 119.872 119.286 0.586 19892 643 1 3 . 1 1 116 116 ASN H H 116 9.498 9.498 8.743 0.755 19892 644 1 3 . 1 1 118 118 MET N N 118 109.702 109.702 116.014 -6.312 19892 645 1 3 . 1 1 118 118 MET H H 118 7.330 7.330 7.418 -0.088 19892 646 1 3 . 1 1 119 119 GLU N N 119 120.422 120.422 120.836 -0.414 19892 647 1 3 . 1 1 119 119 GLU H H 119 9.090 9.090 8.761 0.329 19892 648 1 3 . 1 1 120 120 ASN N N 120 111.509 111.509 111.622 -0.113 19892 649 1 3 . 1 1 120 120 ASN H H 120 8.385 8.385 8.288 0.097 19892 650 1 3 . 1 1 121 121 VAL N N 121 117.347 117.347 119.762 -2.415 19892 651 1 3 . 1 1 121 121 VAL H H 121 7.551 7.551 7.077 0.474 19892 652 1 3 . 1 1 122 122 ALA N N 122 126.585 126.585 127.836 -1.251 19892 653 1 3 . 1 1 122 122 ALA H H 122 8.209 8.209 8.173 0.036 19892 654 1 3 . 1 1 123 123 LEU N N 123 120.129 120.129 121.563 -1.434 19892 655 1 3 . 1 1 123 123 LEU H H 123 9.050 9.050 8.667 0.383 19892 656 1 3 . 1 1 124 124 ASP N N 124 126.759 126.759 120.575 6.184 19892 657 1 3 . 1 1 124 124 ASP H H 124 8.603 8.603 7.783 0.820 19892 658 1 3 . 1 1 125 125 PHE N N 125 122.992 122.992 122.697 0.295 19892 659 1 3 . 1 1 125 125 PHE H H 125 8.705 8.705 8.590 0.115 19892 660 1 3 . 1 1 126 126 SER N N 126 118.579 118.579 116.569 2.010 19892 661 1 3 . 1 1 126 126 SER H H 126 9.364 9.364 8.814 0.550 19892 662 1 3 . 1 1 129 129 GLN N N 129 128.676 128.676 119.825 8.851 19892 663 1 3 . 1 1 129 129 GLN H H 129 9.398 9.398 8.349 1.049 19892 664 1 3 . 1 1 131 131 ARG N N 131 126.760 126.760 122.873 3.887 19892 665 1 3 . 1 1 131 131 ARG H H 131 7.826 7.826 8.253 -0.427 19892 666 1 3 . 1 1 132 132 ILE N N 132 129.144 129.144 123.885 5.259 19892 667 1 3 . 1 1 132 132 ILE H H 132 8.799 8.799 9.040 -0.241 19892 668 1 3 . 1 1 133 133 ARG N N 133 127.114 127.114 121.152 5.962 19892 669 1 3 . 1 1 133 133 ARG H H 133 9.414 9.414 8.874 0.540 19892 670 1 3 . 1 1 135 135 VAL N N 135 124.503 124.503 123.090 1.413 19892 671 1 3 . 1 1 135 135 VAL H H 135 8.307 8.307 7.072 1.235 19892 672 1 3 . 1 1 136 136 ASP N N 136 127.436 127.436 127.948 -0.512 19892 673 1 3 . 1 1 136 136 ASP H H 136 8.001 8.001 8.203 -0.202 19892 674 1 3 . 1 1 137 137 VAL N N 137 123.910 123.910 126.361 -2.451 19892 675 1 3 . 1 1 137 137 VAL H H 137 8.756 8.756 8.285 0.471 19892 676 1 3 . 1 1 138 138 GLY N N 138 116.455 116.455 112.358 4.097 19892 677 1 3 . 1 1 138 138 GLY H H 138 8.349 8.349 8.620 -0.271 19892 678 1 3 . 1 1 139 139 THR N N 139 124.794 124.794 120.959 3.835 19892 679 1 3 . 1 1 139 139 THR H H 139 8.727 8.727 8.359 0.368 19892 680 1 3 . 1 1 141 141 ILE N N 141 124.275 124.275 120.065 4.210 19892 681 1 3 . 1 1 141 141 ILE H H 141 9.099 9.099 8.473 0.626 19892 682 1 3 . 1 1 142 142 ALA N N 142 127.355 127.355 128.322 -0.967 19892 683 1 3 . 1 1 142 142 ALA H H 142 8.499 8.499 7.742 0.757 19892 684 1 3 . 1 1 143 143 GLY N N 143 108.725 108.725 108.552 0.173 19892 685 1 3 . 1 1 143 143 GLY H H 143 9.570 9.570 7.641 1.929 19892 686 1 3 . 1 1 144 144 VAL N N 144 114.300 114.300 115.945 -1.645 19892 687 1 3 . 1 1 144 144 VAL H H 144 8.868 8.868 8.456 0.412 19892 688 1 3 . 1 1 145 145 GLY N N 145 107.482 107.482 105.980 1.502 19892 689 1 3 . 1 1 145 145 GLY H H 145 8.718 8.718 8.021 0.697 19892 690 1 3 . 1 1 146 146 TYR N N 146 121.832 121.832 123.662 -1.830 19892 691 1 3 . 1 1 146 146 TYR H H 146 8.411 8.411 9.262 -0.851 19892 692 1 3 . 1 1 147 147 ARG N N 147 130.069 130.069 124.638 5.431 19892 693 1 3 . 1 1 147 147 ARG H H 147 7.621 7.621 7.462 0.159 19892 694 1 4 . 1 1 3 3 SER N N 3 123.587 123.587 116.720 6.867 19892 695 1 4 . 1 1 3 3 SER H H 3 9.031 9.031 8.722 0.309 19892 696 1 4 . 1 1 4 4 THR N N 4 116.754 116.754 122.079 -5.325 19892 697 1 4 . 1 1 4 4 THR H H 4 8.556 8.556 7.993 0.563 19892 698 1 4 . 1 1 5 5 VAL N N 5 128.336 128.336 125.016 3.320 19892 699 1 4 . 1 1 5 5 VAL H H 5 8.817 8.817 8.217 0.600 19892 700 1 4 . 1 1 6 6 THR N N 6 115.974 115.974 124.336 -8.362 19892 701 1 4 . 1 1 6 6 THR H H 6 8.968 8.968 7.860 1.108 19892 702 1 4 . 1 1 7 7 GLY N N 7 105.889 105.889 111.906 -6.017 19892 703 1 4 . 1 1 7 7 GLY H H 7 8.766 8.766 7.872 0.894 19892 704 1 4 . 1 1 8 8 GLY N N 8 105.854 105.854 106.764 -0.910 19892 705 1 4 . 1 1 8 8 GLY H H 8 9.126 9.126 7.640 1.486 19892 706 1 4 . 1 1 9 9 TYR N N 9 121.078 121.078 118.300 2.778 19892 707 1 4 . 1 1 9 9 TYR H H 9 8.308 8.308 7.762 0.546 19892 708 1 4 . 1 1 11 11 GLN N N 11 121.317 121.317 119.769 1.548 19892 709 1 4 . 1 1 11 11 GLN H H 11 8.262 8.262 8.619 -0.357 19892 710 1 4 . 1 1 12 12 SER N N 12 123.836 123.836 115.964 7.872 19892 711 1 4 . 1 1 12 12 SER H H 12 9.194 9.194 8.333 0.861 19892 712 1 4 . 1 1 13 13 ASP N N 13 124.275 124.275 126.828 -2.553 19892 713 1 4 . 1 1 13 13 ASP H H 13 9.099 9.099 7.836 1.263 19892 714 1 4 . 1 1 14 14 ALA N N 14 128.864 128.864 127.019 1.845 19892 715 1 4 . 1 1 14 14 ALA H H 14 8.660 8.660 8.033 0.627 19892 716 1 4 . 1 1 15 15 GLN H H 15 8.316 8.316 8.637 -0.321 19892 717 1 4 . 1 1 16 16 GLY N N 16 112.489 112.489 114.718 -2.229 19892 718 1 4 . 1 1 16 16 GLY H H 16 8.701 8.701 8.786 -0.085 19892 719 1 4 . 1 1 17 17 GLN N N 17 119.022 119.022 121.977 -2.955 19892 720 1 4 . 1 1 17 17 GLN H H 17 8.111 8.111 7.610 0.501 19892 721 1 4 . 1 1 18 18 MET N N 18 120.328 120.328 123.824 -3.496 19892 722 1 4 . 1 1 18 18 MET H H 18 8.657 8.657 8.237 0.420 19892 723 1 4 . 1 1 19 19 ASN N N 19 117.284 117.284 118.065 -0.781 19892 724 1 4 . 1 1 19 19 ASN H H 19 8.009 8.009 8.272 -0.263 19892 725 1 4 . 1 1 20 20 LYS N N 20 121.136 121.136 122.116 -0.980 19892 726 1 4 . 1 1 20 20 LYS H H 20 8.548 8.548 8.172 0.376 19892 727 1 4 . 1 1 21 21 MET N N 21 119.903 119.903 118.227 1.676 19892 728 1 4 . 1 1 21 21 MET H H 21 8.618 8.618 7.838 0.780 19892 729 1 4 . 1 1 22 22 GLY N N 22 111.196 111.196 107.483 3.713 19892 730 1 4 . 1 1 22 22 GLY H H 22 8.501 8.501 8.227 0.274 19892 731 1 4 . 1 1 23 23 GLY N N 23 109.325 109.325 107.878 1.447 19892 732 1 4 . 1 1 23 23 GLY H H 23 8.092 8.092 7.718 0.374 19892 733 1 4 . 1 1 24 24 PHE N N 24 120.147 120.147 123.941 -3.794 19892 734 1 4 . 1 1 24 24 PHE H H 24 9.306 9.306 8.103 1.203 19892 735 1 4 . 1 1 25 25 ASN N N 25 118.392 118.392 121.419 -3.027 19892 736 1 4 . 1 1 25 25 ASN H H 25 8.516 8.516 8.135 0.381 19892 737 1 4 . 1 1 26 26 LEU N N 26 125.392 125.392 125.042 0.350 19892 738 1 4 . 1 1 26 26 LEU H H 26 9.381 9.381 8.123 1.258 19892 739 1 4 . 1 1 27 27 LYS N N 27 117.292 117.292 120.519 -3.227 19892 740 1 4 . 1 1 27 27 LYS H H 27 8.886 8.886 8.497 0.389 19892 741 1 4 . 1 1 28 28 TYR N N 28 120.230 120.230 119.928 0.302 19892 742 1 4 . 1 1 28 28 TYR H H 28 8.358 8.358 8.505 -0.147 19892 743 1 4 . 1 1 29 29 ARG N N 29 129.080 129.080 122.329 6.751 19892 744 1 4 . 1 1 29 29 ARG H H 29 8.503 8.503 7.915 0.588 19892 745 1 4 . 1 1 30 30 TYR N N 30 126.838 126.838 123.912 2.926 19892 746 1 4 . 1 1 30 30 TYR H H 30 8.891 8.891 8.041 0.850 19892 747 1 4 . 1 1 31 31 GLU N N 31 128.005 128.005 120.988 7.017 19892 748 1 4 . 1 1 31 31 GLU H H 31 8.202 8.202 8.757 -0.555 19892 749 1 4 . 1 1 32 32 GLU N N 32 122.404 122.404 124.123 -1.719 19892 750 1 4 . 1 1 32 32 GLU H H 32 9.137 9.137 8.797 0.340 19892 751 1 4 . 1 1 33 33 ASP N N 33 121.672 121.672 124.354 -2.682 19892 752 1 4 . 1 1 33 33 ASP H H 33 8.599 8.599 9.029 -0.430 19892 753 1 4 . 1 1 35 35 SER N N 35 113.001 113.001 113.721 -0.720 19892 754 1 4 . 1 1 35 35 SER H H 35 7.363 7.363 7.676 -0.313 19892 755 1 4 . 1 1 37 37 LEU N N 37 123.171 123.171 122.427 0.744 19892 756 1 4 . 1 1 37 37 LEU H H 37 8.027 8.027 7.368 0.659 19892 757 1 4 . 1 1 38 38 GLY N N 38 115.826 115.826 111.932 3.894 19892 758 1 4 . 1 1 38 38 GLY H H 38 9.050 9.050 7.891 1.159 19892 759 1 4 . 1 1 39 39 VAL N N 39 117.450 117.450 118.395 -0.945 19892 760 1 4 . 1 1 39 39 VAL H H 39 8.082 8.082 7.675 0.407 19892 761 1 4 . 1 1 40 40 ILE N N 40 125.944 125.944 120.550 5.394 19892 762 1 4 . 1 1 40 40 ILE H H 40 9.229 9.229 8.676 0.553 19892 763 1 4 . 1 1 41 41 GLY N N 41 111.187 111.187 110.098 1.089 19892 764 1 4 . 1 1 41 41 GLY H H 41 9.112 9.112 8.392 0.720 19892 765 1 4 . 1 1 42 42 SER N N 42 116.459 116.459 119.095 -2.636 19892 766 1 4 . 1 1 42 42 SER H H 42 9.282 9.282 8.194 1.088 19892 767 1 4 . 1 1 43 43 PHE N N 43 128.932 128.932 122.770 6.162 19892 768 1 4 . 1 1 43 43 PHE H H 43 9.335 9.335 8.453 0.882 19892 769 1 4 . 1 1 44 44 THR N N 44 126.670 126.670 118.344 8.326 19892 770 1 4 . 1 1 44 44 THR H H 44 8.685 8.685 8.327 0.358 19892 771 1 4 . 1 1 45 45 TYR N N 45 125.515 125.515 128.209 -2.694 19892 772 1 4 . 1 1 45 45 TYR H H 45 8.176 8.176 8.650 -0.474 19892 773 1 4 . 1 1 46 46 THR N N 46 117.315 117.315 125.654 -8.339 19892 774 1 4 . 1 1 46 46 THR H H 46 8.574 8.574 8.498 0.076 19892 775 1 4 . 1 1 47 47 GLU N N 47 111.930 111.930 124.516 -12.586 19892 776 1 4 . 1 1 47 47 GLU H H 47 8.338 8.338 8.212 0.126 19892 777 1 4 . 1 1 49 49 SER N N 49 123.107 123.107 117.615 5.492 19892 778 1 4 . 1 1 49 49 SER H H 49 8.611 8.611 8.631 -0.020 19892 779 1 4 . 1 1 52 52 ALA N N 52 127.376 127.376 127.521 -0.145 19892 780 1 4 . 1 1 52 52 ALA H H 52 8.512 8.512 8.536 -0.024 19892 781 1 4 . 1 1 55 55 GLY N N 55 110.790 110.790 106.329 4.461 19892 782 1 4 . 1 1 55 55 GLY H H 55 8.245 8.245 7.601 0.644 19892 783 1 4 . 1 1 56 56 ASP N N 56 120.332 120.332 121.653 -1.321 19892 784 1 4 . 1 1 56 56 ASP H H 56 7.848 7.848 7.988 -0.140 19892 785 1 4 . 1 1 57 57 TYR N N 57 121.702 121.702 115.931 5.771 19892 786 1 4 . 1 1 57 57 TYR H H 57 8.313 8.313 7.554 0.759 19892 787 1 4 . 1 1 58 58 ASN N N 58 122.198 122.198 117.479 4.719 19892 788 1 4 . 1 1 58 58 ASN H H 58 8.360 8.360 8.853 -0.493 19892 789 1 4 . 1 1 59 59 LYS N N 59 121.010 121.010 117.418 3.592 19892 790 1 4 . 1 1 59 59 LYS H H 59 8.276 8.276 8.026 0.250 19892 791 1 4 . 1 1 60 60 ASN N N 60 123.086 123.086 120.437 2.649 19892 792 1 4 . 1 1 60 60 ASN H H 60 8.397 8.397 8.497 -0.100 19892 793 1 4 . 1 1 61 61 GLN N N 61 120.020 120.020 117.938 2.082 19892 794 1 4 . 1 1 61 61 GLN H H 61 8.499 8.499 8.209 0.290 19892 795 1 4 . 1 1 62 62 TYR N N 62 123.137 123.137 124.147 -1.010 19892 796 1 4 . 1 1 62 62 TYR H H 62 8.650 8.650 8.172 0.478 19892 797 1 4 . 1 1 63 63 TYR N N 63 123.929 123.929 129.192 -5.263 19892 798 1 4 . 1 1 63 63 TYR H H 63 8.381 8.381 7.907 0.474 19892 799 1 4 . 1 1 64 64 GLY N N 64 106.738 106.738 110.587 -3.849 19892 800 1 4 . 1 1 64 64 GLY H H 64 8.704 8.704 7.294 1.410 19892 801 1 4 . 1 1 65 65 ILE N N 65 128.892 128.892 119.169 9.723 19892 802 1 4 . 1 1 65 65 ILE H H 65 9.140 9.140 8.003 1.137 19892 803 1 4 . 1 1 66 66 THR N N 66 115.392 115.392 120.003 -4.611 19892 804 1 4 . 1 1 66 66 THR H H 66 9.025 9.025 7.781 1.244 19892 805 1 4 . 1 1 67 67 ALA N N 67 118.885 118.885 127.237 -8.352 19892 806 1 4 . 1 1 67 67 ALA H H 67 9.387 9.387 8.456 0.931 19892 807 1 4 . 1 1 68 68 GLY N N 68 103.875 103.875 106.259 -2.384 19892 808 1 4 . 1 1 68 68 GLY H H 68 9.016 9.016 7.786 1.230 19892 809 1 4 . 1 1 70 70 ALA N N 70 120.214 120.214 119.358 0.856 19892 810 1 4 . 1 1 70 70 ALA H H 70 7.875 7.875 7.379 0.496 19892 811 1 4 . 1 1 71 71 TYR N N 71 125.130 125.130 120.164 4.966 19892 812 1 4 . 1 1 71 71 TYR H H 71 9.786 9.786 9.159 0.627 19892 813 1 4 . 1 1 72 72 ARG N N 72 131.150 131.150 125.532 5.618 19892 814 1 4 . 1 1 72 72 ARG H H 72 8.860 8.860 8.895 -0.035 19892 815 1 4 . 1 1 73 73 ILE N N 73 129.066 129.066 125.684 3.382 19892 816 1 4 . 1 1 73 73 ILE H H 73 8.475 8.475 8.849 -0.374 19892 817 1 4 . 1 1 77 77 ALA N N 77 124.611 124.611 114.756 9.855 19892 818 1 4 . 1 1 77 77 ALA H H 77 7.817 7.817 7.477 0.340 19892 819 1 4 . 1 1 78 78 SER N N 78 112.605 112.605 114.244 -1.639 19892 820 1 4 . 1 1 78 78 SER H H 78 8.195 8.195 8.372 -0.177 19892 821 1 4 . 1 1 79 79 ILE N N 79 119.871 119.871 123.387 -3.516 19892 822 1 4 . 1 1 79 79 ILE H H 79 9.072 9.072 8.442 0.630 19892 823 1 4 . 1 1 80 80 TYR N N 80 119.773 119.773 125.149 -5.376 19892 824 1 4 . 1 1 80 80 TYR H H 80 8.439 8.439 8.123 0.316 19892 825 1 4 . 1 1 81 81 GLY N N 81 105.795 105.795 106.930 -1.135 19892 826 1 4 . 1 1 81 81 GLY H H 81 8.135 8.135 8.088 0.047 19892 827 1 4 . 1 1 82 82 VAL N N 82 111.057 111.057 116.428 -5.371 19892 828 1 4 . 1 1 82 82 VAL H H 82 8.553 8.553 8.846 -0.293 19892 829 1 4 . 1 1 83 83 VAL N N 83 113.157 113.157 124.129 -10.972 19892 830 1 4 . 1 1 83 83 VAL H H 83 9.021 9.021 7.806 1.215 19892 831 1 4 . 1 1 84 84 GLY N N 84 107.838 107.838 111.850 -4.012 19892 832 1 4 . 1 1 84 84 GLY H H 84 8.593 8.593 7.447 1.146 19892 833 1 4 . 1 1 85 85 VAL N N 85 122.494 122.494 118.946 3.548 19892 834 1 4 . 1 1 85 85 VAL H H 85 8.977 8.977 8.186 0.791 19892 835 1 4 . 1 1 86 86 GLY N N 86 113.663 113.663 111.760 1.903 19892 836 1 4 . 1 1 86 86 GLY H H 86 8.871 8.871 8.483 0.388 19892 837 1 4 . 1 1 87 87 TYR N N 87 123.276 123.276 120.965 2.311 19892 838 1 4 . 1 1 87 87 TYR H H 87 9.213 9.213 8.913 0.300 19892 839 1 4 . 1 1 89 89 LYS N N 89 122.370 122.370 126.548 -4.178 19892 840 1 4 . 1 1 89 89 LYS H H 89 8.130 8.130 7.798 0.332 19892 841 1 4 . 1 1 91 91 GLN N N 91 121.297 121.297 121.080 0.217 19892 842 1 4 . 1 1 91 91 GLN H H 91 8.374 8.374 8.827 -0.453 19892 843 1 4 . 1 1 95 95 TYR N N 95 123.254 123.254 120.318 2.936 19892 844 1 4 . 1 1 95 95 TYR H H 95 8.263 8.263 7.843 0.420 19892 845 1 4 . 1 1 98 98 TYR N N 98 122.383 122.383 119.112 3.271 19892 846 1 4 . 1 1 98 98 TYR H H 98 8.110 8.110 8.436 -0.326 19892 847 1 4 . 1 1 99 99 LYS N N 99 122.511 122.511 121.631 0.880 19892 848 1 4 . 1 1 99 99 LYS H H 99 8.019 8.019 8.153 -0.134 19892 849 1 4 . 1 1 102 102 THR N N 102 113.735 113.735 115.279 -1.544 19892 850 1 4 . 1 1 102 102 THR H H 102 8.167 8.167 7.562 0.605 19892 851 1 4 . 1 1 103 103 SER N N 103 119.198 119.198 122.865 -3.667 19892 852 1 4 . 1 1 103 103 SER H H 103 8.381 8.381 7.820 0.561 19892 853 1 4 . 1 1 104 104 ASP N N 104 122.272 122.272 121.079 1.193 19892 854 1 4 . 1 1 104 104 ASP H H 104 8.203 8.203 8.168 0.035 19892 855 1 4 . 1 1 105 105 TYR N N 105 116.595 116.595 119.025 -2.430 19892 856 1 4 . 1 1 105 105 TYR H H 105 8.636 8.636 8.313 0.323 19892 857 1 4 . 1 1 106 106 GLY N N 106 108.162 108.162 107.476 0.686 19892 858 1 4 . 1 1 106 106 GLY H H 106 9.253 9.253 8.071 1.182 19892 859 1 4 . 1 1 107 107 PHE N N 107 121.007 121.007 122.259 -1.252 19892 860 1 4 . 1 1 107 107 PHE H H 107 8.777 8.777 8.090 0.687 19892 861 1 4 . 1 1 109 109 TYR N N 109 117.796 117.796 116.042 1.754 19892 862 1 4 . 1 1 109 109 TYR H H 109 8.596 8.596 7.760 0.836 19892 863 1 4 . 1 1 110 110 GLY N N 110 105.777 105.777 106.740 -0.963 19892 864 1 4 . 1 1 110 110 GLY H H 110 9.008 9.008 8.155 0.853 19892 865 1 4 . 1 1 111 111 ALA N N 111 118.846 118.846 120.026 -1.180 19892 866 1 4 . 1 1 111 111 ALA H H 111 8.492 8.492 7.723 0.769 19892 867 1 4 . 1 1 112 112 GLY N N 112 105.658 105.658 104.835 0.823 19892 868 1 4 . 1 1 112 112 GLY H H 112 7.893 7.893 7.217 0.676 19892 869 1 4 . 1 1 113 113 LEU N N 113 116.176 116.176 118.579 -2.403 19892 870 1 4 . 1 1 113 113 LEU H H 113 9.009 9.009 6.959 2.050 19892 871 1 4 . 1 1 114 114 GLN N N 114 115.313 115.313 121.847 -6.534 19892 872 1 4 . 1 1 114 114 GLN H H 114 7.930 7.930 8.758 -0.828 19892 873 1 4 . 1 1 116 116 ASN N N 116 119.872 119.872 121.242 -1.370 19892 874 1 4 . 1 1 116 116 ASN H H 116 9.498 9.498 7.764 1.734 19892 875 1 4 . 1 1 118 118 MET N N 118 109.702 109.702 118.969 -9.267 19892 876 1 4 . 1 1 118 118 MET H H 118 7.330 7.330 7.629 -0.299 19892 877 1 4 . 1 1 119 119 GLU N N 119 120.422 120.422 123.310 -2.888 19892 878 1 4 . 1 1 119 119 GLU H H 119 9.090 9.090 8.778 0.312 19892 879 1 4 . 1 1 120 120 ASN N N 120 111.509 111.509 114.584 -3.075 19892 880 1 4 . 1 1 120 120 ASN H H 120 8.385 8.385 8.198 0.187 19892 881 1 4 . 1 1 121 121 VAL N N 121 117.347 117.347 119.850 -2.503 19892 882 1 4 . 1 1 121 121 VAL H H 121 7.551 7.551 7.395 0.156 19892 883 1 4 . 1 1 122 122 ALA N N 122 126.585 126.585 127.081 -0.496 19892 884 1 4 . 1 1 122 122 ALA H H 122 8.209 8.209 8.109 0.100 19892 885 1 4 . 1 1 123 123 LEU N N 123 120.129 120.129 121.295 -1.166 19892 886 1 4 . 1 1 123 123 LEU H H 123 9.050 9.050 8.492 0.558 19892 887 1 4 . 1 1 124 124 ASP N N 124 126.759 126.759 121.277 5.482 19892 888 1 4 . 1 1 124 124 ASP H H 124 8.603 8.603 8.217 0.386 19892 889 1 4 . 1 1 125 125 PHE N N 125 122.992 122.992 120.670 2.322 19892 890 1 4 . 1 1 125 125 PHE H H 125 8.705 8.705 7.881 0.824 19892 891 1 4 . 1 1 126 126 SER N N 126 118.579 118.579 115.827 2.752 19892 892 1 4 . 1 1 126 126 SER H H 126 9.364 9.364 7.693 1.671 19892 893 1 4 . 1 1 129 129 GLN N N 129 128.676 128.676 126.065 2.611 19892 894 1 4 . 1 1 129 129 GLN H H 129 9.398 9.398 7.612 1.786 19892 895 1 4 . 1 1 131 131 ARG N N 131 126.760 126.760 121.996 4.764 19892 896 1 4 . 1 1 131 131 ARG H H 131 7.826 7.826 8.428 -0.602 19892 897 1 4 . 1 1 132 132 ILE N N 132 129.144 129.144 124.887 4.257 19892 898 1 4 . 1 1 132 132 ILE H H 132 8.799 8.799 9.027 -0.228 19892 899 1 4 . 1 1 133 133 ARG N N 133 127.114 127.114 123.924 3.190 19892 900 1 4 . 1 1 133 133 ARG H H 133 9.414 9.414 8.833 0.581 19892 901 1 4 . 1 1 135 135 VAL N N 135 124.503 124.503 122.488 2.015 19892 902 1 4 . 1 1 135 135 VAL H H 135 8.307 8.307 7.071 1.236 19892 903 1 4 . 1 1 136 136 ASP N N 136 127.436 127.436 127.631 -0.195 19892 904 1 4 . 1 1 136 136 ASP H H 136 8.001 8.001 8.258 -0.257 19892 905 1 4 . 1 1 137 137 VAL N N 137 123.910 123.910 125.549 -1.639 19892 906 1 4 . 1 1 137 137 VAL H H 137 8.756 8.756 8.086 0.669 19892 907 1 4 . 1 1 138 138 GLY N N 138 116.455 116.455 112.440 4.015 19892 908 1 4 . 1 1 138 138 GLY H H 138 8.349 8.349 9.128 -0.779 19892 909 1 4 . 1 1 139 139 THR N N 139 124.794 124.794 120.343 4.451 19892 910 1 4 . 1 1 139 139 THR H H 139 8.727 8.727 7.597 1.130 19892 911 1 4 . 1 1 141 141 ILE N N 141 124.275 124.275 118.479 5.796 19892 912 1 4 . 1 1 141 141 ILE H H 141 9.099 9.099 7.378 1.721 19892 913 1 4 . 1 1 142 142 ALA N N 142 127.355 127.355 124.521 2.834 19892 914 1 4 . 1 1 142 142 ALA H H 142 8.499 8.499 7.927 0.572 19892 915 1 4 . 1 1 143 143 GLY N N 143 108.725 108.725 108.606 0.119 19892 916 1 4 . 1 1 143 143 GLY H H 143 9.570 9.570 8.003 1.567 19892 917 1 4 . 1 1 144 144 VAL N N 144 114.300 114.300 119.951 -5.651 19892 918 1 4 . 1 1 144 144 VAL H H 144 8.868 8.868 8.207 0.661 19892 919 1 4 . 1 1 145 145 GLY N N 145 107.482 107.482 109.484 -2.002 19892 920 1 4 . 1 1 145 145 GLY H H 145 8.718 8.718 8.080 0.638 19892 921 1 4 . 1 1 146 146 TYR N N 146 121.832 121.832 122.352 -0.520 19892 922 1 4 . 1 1 146 146 TYR H H 146 8.411 8.411 8.560 -0.149 19892 923 1 4 . 1 1 147 147 ARG N N 147 130.069 130.069 123.816 6.253 19892 924 1 4 . 1 1 147 147 ARG H H 147 7.621 7.621 7.493 0.128 19892 925 1 5 . 1 1 3 3 SER N N 3 123.587 123.587 118.373 5.214 19892 926 1 5 . 1 1 3 3 SER H H 3 9.031 9.031 8.499 0.532 19892 927 1 5 . 1 1 4 4 THR N N 4 116.754 116.754 115.273 1.481 19892 928 1 5 . 1 1 4 4 THR H H 4 8.556 8.556 8.185 0.371 19892 929 1 5 . 1 1 5 5 VAL N N 5 128.336 128.336 123.064 5.272 19892 930 1 5 . 1 1 5 5 VAL H H 5 8.817 8.817 8.752 0.065 19892 931 1 5 . 1 1 6 6 THR N N 6 115.974 115.974 122.614 -6.640 19892 932 1 5 . 1 1 6 6 THR H H 6 8.968 8.968 7.954 1.014 19892 933 1 5 . 1 1 7 7 GLY N N 7 105.889 105.889 112.055 -6.166 19892 934 1 5 . 1 1 7 7 GLY H H 7 8.766 8.766 7.939 0.827 19892 935 1 5 . 1 1 8 8 GLY N N 8 105.854 105.854 106.453 -0.599 19892 936 1 5 . 1 1 8 8 GLY H H 8 9.126 9.126 7.636 1.490 19892 937 1 5 . 1 1 9 9 TYR N N 9 121.078 121.078 117.063 4.015 19892 938 1 5 . 1 1 9 9 TYR H H 9 8.308 8.308 7.597 0.711 19892 939 1 5 . 1 1 11 11 GLN N N 11 121.317 121.317 120.894 0.423 19892 940 1 5 . 1 1 11 11 GLN H H 11 8.262 8.262 8.627 -0.365 19892 941 1 5 . 1 1 12 12 SER N N 12 123.836 123.836 116.490 7.346 19892 942 1 5 . 1 1 12 12 SER H H 12 9.194 9.194 8.231 0.963 19892 943 1 5 . 1 1 13 13 ASP N N 13 124.275 124.275 122.502 1.773 19892 944 1 5 . 1 1 13 13 ASP H H 13 9.099 9.099 8.236 0.863 19892 945 1 5 . 1 1 14 14 ALA N N 14 128.864 128.864 122.845 6.019 19892 946 1 5 . 1 1 14 14 ALA H H 14 8.660 8.660 8.232 0.428 19892 947 1 5 . 1 1 15 15 GLN H H 15 8.316 8.316 7.964 0.352 19892 948 1 5 . 1 1 16 16 GLY N N 16 112.489 112.489 113.052 -0.563 19892 949 1 5 . 1 1 16 16 GLY H H 16 8.701 8.701 8.654 0.047 19892 950 1 5 . 1 1 17 17 GLN N N 17 119.022 119.022 118.893 0.129 19892 951 1 5 . 1 1 17 17 GLN H H 17 8.111 8.111 7.292 0.819 19892 952 1 5 . 1 1 18 18 MET N N 18 120.328 120.328 118.711 1.617 19892 953 1 5 . 1 1 18 18 MET H H 18 8.657 8.657 8.665 -0.008 19892 954 1 5 . 1 1 19 19 ASN N N 19 117.284 117.284 113.337 3.947 19892 955 1 5 . 1 1 19 19 ASN H H 19 8.009 8.009 8.009 0.000 19892 956 1 5 . 1 1 20 20 LYS N N 20 121.136 121.136 120.400 0.736 19892 957 1 5 . 1 1 20 20 LYS H H 20 8.548 8.548 8.329 0.219 19892 958 1 5 . 1 1 21 21 MET N N 21 119.903 119.903 118.598 1.305 19892 959 1 5 . 1 1 21 21 MET H H 21 8.618 8.618 7.885 0.733 19892 960 1 5 . 1 1 22 22 GLY N N 22 111.196 111.196 107.240 3.956 19892 961 1 5 . 1 1 22 22 GLY H H 22 8.501 8.501 8.199 0.302 19892 962 1 5 . 1 1 23 23 GLY N N 23 109.325 109.325 107.340 1.985 19892 963 1 5 . 1 1 23 23 GLY H H 23 8.092 8.092 8.043 0.049 19892 964 1 5 . 1 1 24 24 PHE N N 24 120.147 120.147 126.260 -6.113 19892 965 1 5 . 1 1 24 24 PHE H H 24 9.306 9.306 8.184 1.122 19892 966 1 5 . 1 1 25 25 ASN N N 25 118.392 118.392 125.131 -6.739 19892 967 1 5 . 1 1 25 25 ASN H H 25 8.516 8.516 7.731 0.785 19892 968 1 5 . 1 1 26 26 LEU N N 26 125.392 125.392 124.271 1.121 19892 969 1 5 . 1 1 26 26 LEU H H 26 9.381 9.381 8.001 1.380 19892 970 1 5 . 1 1 27 27 LYS N N 27 117.292 117.292 124.753 -7.461 19892 971 1 5 . 1 1 27 27 LYS H H 27 8.886 8.886 8.810 0.076 19892 972 1 5 . 1 1 28 28 TYR N N 28 120.230 120.230 120.198 0.032 19892 973 1 5 . 1 1 28 28 TYR H H 28 8.358 8.358 8.178 0.180 19892 974 1 5 . 1 1 29 29 ARG N N 29 129.080 129.080 121.785 7.295 19892 975 1 5 . 1 1 29 29 ARG H H 29 8.503 8.503 7.963 0.540 19892 976 1 5 . 1 1 30 30 TYR N N 30 126.838 126.838 123.855 2.983 19892 977 1 5 . 1 1 30 30 TYR H H 30 8.891 8.891 8.283 0.608 19892 978 1 5 . 1 1 31 31 GLU N N 31 128.005 128.005 121.477 6.528 19892 979 1 5 . 1 1 31 31 GLU H H 31 8.202 8.202 8.442 -0.240 19892 980 1 5 . 1 1 32 32 GLU N N 32 122.404 122.404 124.277 -1.873 19892 981 1 5 . 1 1 32 32 GLU H H 32 9.137 9.137 8.519 0.618 19892 982 1 5 . 1 1 33 33 ASP N N 33 121.672 121.672 123.376 -1.704 19892 983 1 5 . 1 1 33 33 ASP H H 33 8.599 8.599 8.839 -0.240 19892 984 1 5 . 1 1 35 35 SER N N 35 113.001 113.001 111.955 1.046 19892 985 1 5 . 1 1 35 35 SER H H 35 7.363 7.363 7.576 -0.213 19892 986 1 5 . 1 1 37 37 LEU N N 37 123.171 123.171 122.382 0.789 19892 987 1 5 . 1 1 37 37 LEU H H 37 8.027 8.027 7.534 0.493 19892 988 1 5 . 1 1 38 38 GLY N N 38 115.826 115.826 113.210 2.616 19892 989 1 5 . 1 1 38 38 GLY H H 38 9.050 9.050 7.793 1.257 19892 990 1 5 . 1 1 39 39 VAL N N 39 117.450 117.450 124.109 -6.659 19892 991 1 5 . 1 1 39 39 VAL H H 39 8.082 8.082 7.863 0.219 19892 992 1 5 . 1 1 40 40 ILE N N 40 125.944 125.944 128.073 -2.129 19892 993 1 5 . 1 1 40 40 ILE H H 40 9.229 9.229 8.663 0.566 19892 994 1 5 . 1 1 41 41 GLY N N 41 111.187 111.187 111.678 -0.491 19892 995 1 5 . 1 1 41 41 GLY H H 41 9.112 9.112 8.542 0.570 19892 996 1 5 . 1 1 42 42 SER N N 42 116.459 116.459 117.676 -1.217 19892 997 1 5 . 1 1 42 42 SER H H 42 9.282 9.282 8.437 0.845 19892 998 1 5 . 1 1 43 43 PHE N N 43 128.932 128.932 123.529 5.403 19892 999 1 5 . 1 1 43 43 PHE H H 43 9.335 9.335 8.162 1.173 19892 1000 1 5 . 1 1 44 44 THR N N 44 126.670 126.670 118.342 8.328 19892 1001 1 5 . 1 1 44 44 THR H H 44 8.685 8.685 7.912 0.773 19892 1002 1 5 . 1 1 45 45 TYR N N 45 125.515 125.515 124.507 1.008 19892 1003 1 5 . 1 1 45 45 TYR H H 45 8.176 8.176 8.555 -0.379 19892 1004 1 5 . 1 1 46 46 THR N N 46 117.315 117.315 121.627 -4.312 19892 1005 1 5 . 1 1 46 46 THR H H 46 8.574 8.574 8.820 -0.246 19892 1006 1 5 . 1 1 47 47 GLU N N 47 111.930 111.930 122.904 -10.974 19892 1007 1 5 . 1 1 47 47 GLU H H 47 8.338 8.338 8.406 -0.068 19892 1008 1 5 . 1 1 49 49 SER N N 49 123.107 123.107 121.469 1.638 19892 1009 1 5 . 1 1 49 49 SER H H 49 8.611 8.611 8.539 0.072 19892 1010 1 5 . 1 1 52 52 ALA N N 52 127.376 127.376 122.370 5.006 19892 1011 1 5 . 1 1 52 52 ALA H H 52 8.512 8.512 8.188 0.324 19892 1012 1 5 . 1 1 55 55 GLY N N 55 110.790 110.790 108.804 1.986 19892 1013 1 5 . 1 1 55 55 GLY H H 55 8.245 8.245 7.515 0.730 19892 1014 1 5 . 1 1 56 56 ASP N N 56 120.332 120.332 119.773 0.559 19892 1015 1 5 . 1 1 56 56 ASP H H 56 7.848 7.848 8.075 -0.227 19892 1016 1 5 . 1 1 57 57 TYR N N 57 121.702 121.702 123.123 -1.421 19892 1017 1 5 . 1 1 57 57 TYR H H 57 8.313 8.313 8.438 -0.125 19892 1018 1 5 . 1 1 58 58 ASN N N 58 122.198 122.198 120.261 1.937 19892 1019 1 5 . 1 1 58 58 ASN H H 58 8.360 8.360 8.587 -0.227 19892 1020 1 5 . 1 1 59 59 LYS N N 59 121.010 121.010 120.046 0.964 19892 1021 1 5 . 1 1 59 59 LYS H H 59 8.276 8.276 8.402 -0.126 19892 1022 1 5 . 1 1 60 60 ASN N N 60 123.086 123.086 116.961 6.125 19892 1023 1 5 . 1 1 60 60 ASN H H 60 8.397 8.397 7.945 0.452 19892 1024 1 5 . 1 1 61 61 GLN N N 61 120.020 120.020 116.888 3.132 19892 1025 1 5 . 1 1 61 61 GLN H H 61 8.499 8.499 7.917 0.582 19892 1026 1 5 . 1 1 62 62 TYR N N 62 123.137 123.137 119.465 3.672 19892 1027 1 5 . 1 1 62 62 TYR H H 62 8.650 8.650 9.088 -0.438 19892 1028 1 5 . 1 1 63 63 TYR N N 63 123.929 123.929 126.714 -2.785 19892 1029 1 5 . 1 1 63 63 TYR H H 63 8.381 8.381 9.402 -1.021 19892 1030 1 5 . 1 1 64 64 GLY N N 64 106.738 106.738 112.027 -5.289 19892 1031 1 5 . 1 1 64 64 GLY H H 64 8.704 8.704 7.306 1.398 19892 1032 1 5 . 1 1 65 65 ILE N N 65 128.892 128.892 125.424 3.468 19892 1033 1 5 . 1 1 65 65 ILE H H 65 9.140 9.140 7.943 1.197 19892 1034 1 5 . 1 1 66 66 THR N N 66 115.392 115.392 122.709 -7.317 19892 1035 1 5 . 1 1 66 66 THR H H 66 9.025 9.025 7.909 1.116 19892 1036 1 5 . 1 1 67 67 ALA N N 67 118.885 118.885 126.237 -7.352 19892 1037 1 5 . 1 1 67 67 ALA H H 67 9.387 9.387 8.195 1.192 19892 1038 1 5 . 1 1 68 68 GLY N N 68 103.875 103.875 106.783 -2.908 19892 1039 1 5 . 1 1 68 68 GLY H H 68 9.016 9.016 7.878 1.138 19892 1040 1 5 . 1 1 70 70 ALA N N 70 120.214 120.214 119.870 0.344 19892 1041 1 5 . 1 1 70 70 ALA H H 70 7.875 7.875 7.969 -0.094 19892 1042 1 5 . 1 1 71 71 TYR N N 71 125.130 125.130 119.743 5.387 19892 1043 1 5 . 1 1 71 71 TYR H H 71 9.786 9.786 8.056 1.730 19892 1044 1 5 . 1 1 72 72 ARG N N 72 131.150 131.150 125.539 5.611 19892 1045 1 5 . 1 1 72 72 ARG H H 72 8.860 8.860 8.713 0.147 19892 1046 1 5 . 1 1 73 73 ILE N N 73 129.066 129.066 127.725 1.341 19892 1047 1 5 . 1 1 73 73 ILE H H 73 8.475 8.475 8.291 0.184 19892 1048 1 5 . 1 1 77 77 ALA N N 77 124.611 124.611 121.134 3.477 19892 1049 1 5 . 1 1 77 77 ALA H H 77 7.817 7.817 7.635 0.182 19892 1050 1 5 . 1 1 78 78 SER N N 78 112.605 112.605 118.125 -5.520 19892 1051 1 5 . 1 1 78 78 SER H H 78 8.195 8.195 7.913 0.282 19892 1052 1 5 . 1 1 79 79 ILE N N 79 119.871 119.871 121.398 -1.527 19892 1053 1 5 . 1 1 79 79 ILE H H 79 9.072 9.072 8.083 0.989 19892 1054 1 5 . 1 1 80 80 TYR N N 80 119.773 119.773 124.457 -4.684 19892 1055 1 5 . 1 1 80 80 TYR H H 80 8.439 8.439 8.818 -0.379 19892 1056 1 5 . 1 1 81 81 GLY N N 81 105.795 105.795 108.476 -2.681 19892 1057 1 5 . 1 1 81 81 GLY H H 81 8.135 8.135 8.196 -0.061 19892 1058 1 5 . 1 1 82 82 VAL N N 82 111.057 111.057 115.569 -4.512 19892 1059 1 5 . 1 1 82 82 VAL H H 82 8.553 8.553 9.022 -0.469 19892 1060 1 5 . 1 1 83 83 VAL N N 83 113.157 113.157 123.382 -10.225 19892 1061 1 5 . 1 1 83 83 VAL H H 83 9.021 9.021 7.781 1.240 19892 1062 1 5 . 1 1 84 84 GLY N N 84 107.838 107.838 111.087 -3.249 19892 1063 1 5 . 1 1 84 84 GLY H H 84 8.593 8.593 7.675 0.918 19892 1064 1 5 . 1 1 85 85 VAL N N 85 122.494 122.494 118.935 3.559 19892 1065 1 5 . 1 1 85 85 VAL H H 85 8.977 8.977 7.859 1.118 19892 1066 1 5 . 1 1 86 86 GLY N N 86 113.663 113.663 111.456 2.207 19892 1067 1 5 . 1 1 86 86 GLY H H 86 8.871 8.871 8.426 0.445 19892 1068 1 5 . 1 1 87 87 TYR N N 87 123.276 123.276 121.769 1.507 19892 1069 1 5 . 1 1 87 87 TYR H H 87 9.213 9.213 9.354 -0.141 19892 1070 1 5 . 1 1 89 89 LYS N N 89 122.370 122.370 124.128 -1.758 19892 1071 1 5 . 1 1 89 89 LYS H H 89 8.130 8.130 7.715 0.415 19892 1072 1 5 . 1 1 91 91 GLN N N 91 121.297 121.297 119.967 1.330 19892 1073 1 5 . 1 1 91 91 GLN H H 91 8.374 8.374 8.761 -0.387 19892 1074 1 5 . 1 1 95 95 TYR N N 95 123.254 123.254 121.142 2.112 19892 1075 1 5 . 1 1 95 95 TYR H H 95 8.263 8.263 8.031 0.232 19892 1076 1 5 . 1 1 98 98 TYR N N 98 122.383 122.383 120.895 1.488 19892 1077 1 5 . 1 1 98 98 TYR H H 98 8.110 8.110 8.832 -0.722 19892 1078 1 5 . 1 1 99 99 LYS N N 99 122.511 122.511 117.862 4.649 19892 1079 1 5 . 1 1 99 99 LYS H H 99 8.019 8.019 8.354 -0.335 19892 1080 1 5 . 1 1 102 102 THR N N 102 113.735 113.735 112.498 1.237 19892 1081 1 5 . 1 1 102 102 THR H H 102 8.167 8.167 8.026 0.141 19892 1082 1 5 . 1 1 103 103 SER N N 103 119.198 119.198 115.878 3.320 19892 1083 1 5 . 1 1 103 103 SER H H 103 8.381 8.381 7.767 0.614 19892 1084 1 5 . 1 1 104 104 ASP N N 104 122.272 122.272 121.812 0.460 19892 1085 1 5 . 1 1 104 104 ASP H H 104 8.203 8.203 8.087 0.116 19892 1086 1 5 . 1 1 105 105 TYR N N 105 116.595 116.595 120.369 -3.774 19892 1087 1 5 . 1 1 105 105 TYR H H 105 8.636 8.636 8.023 0.613 19892 1088 1 5 . 1 1 106 106 GLY N N 106 108.162 108.162 105.818 2.344 19892 1089 1 5 . 1 1 106 106 GLY H H 106 9.253 9.253 7.730 1.523 19892 1090 1 5 . 1 1 107 107 PHE N N 107 121.007 121.007 120.433 0.574 19892 1091 1 5 . 1 1 107 107 PHE H H 107 8.777 8.777 7.974 0.803 19892 1092 1 5 . 1 1 109 109 TYR N N 109 117.796 117.796 118.065 -0.269 19892 1093 1 5 . 1 1 109 109 TYR H H 109 8.596 8.596 7.926 0.670 19892 1094 1 5 . 1 1 110 110 GLY N N 110 105.777 105.777 106.766 -0.989 19892 1095 1 5 . 1 1 110 110 GLY H H 110 9.008 9.008 8.361 0.647 19892 1096 1 5 . 1 1 111 111 ALA N N 111 118.846 118.846 119.849 -1.003 19892 1097 1 5 . 1 1 111 111 ALA H H 111 8.492 8.492 7.854 0.638 19892 1098 1 5 . 1 1 112 112 GLY N N 112 105.658 105.658 105.456 0.202 19892 1099 1 5 . 1 1 112 112 GLY H H 112 7.893 7.893 8.528 -0.635 19892 1100 1 5 . 1 1 113 113 LEU N N 113 116.176 116.176 114.180 1.996 19892 1101 1 5 . 1 1 113 113 LEU H H 113 9.009 9.009 8.608 0.401 19892 1102 1 5 . 1 1 114 114 GLN N N 114 115.313 115.313 119.236 -3.923 19892 1103 1 5 . 1 1 114 114 GLN H H 114 7.930 7.930 8.261 -0.331 19892 1104 1 5 . 1 1 116 116 ASN N N 116 119.872 119.872 121.805 -1.933 19892 1105 1 5 . 1 1 116 116 ASN H H 116 9.498 9.498 7.879 1.619 19892 1106 1 5 . 1 1 118 118 MET N N 118 109.702 109.702 117.472 -7.770 19892 1107 1 5 . 1 1 118 118 MET H H 118 7.330 7.330 7.394 -0.063 19892 1108 1 5 . 1 1 119 119 GLU N N 119 120.422 120.422 125.174 -4.752 19892 1109 1 5 . 1 1 119 119 GLU H H 119 9.090 9.090 8.873 0.217 19892 1110 1 5 . 1 1 120 120 ASN N N 120 111.509 111.509 115.052 -3.543 19892 1111 1 5 . 1 1 120 120 ASN H H 120 8.385 8.385 8.281 0.104 19892 1112 1 5 . 1 1 121 121 VAL N N 121 117.347 117.347 118.992 -1.645 19892 1113 1 5 . 1 1 121 121 VAL H H 121 7.551 7.551 7.089 0.462 19892 1114 1 5 . 1 1 122 122 ALA N N 122 126.585 126.585 130.517 -3.932 19892 1115 1 5 . 1 1 122 122 ALA H H 122 8.209 8.209 8.737 -0.528 19892 1116 1 5 . 1 1 123 123 LEU N N 123 120.129 120.129 119.645 0.484 19892 1117 1 5 . 1 1 123 123 LEU H H 123 9.050 9.050 8.316 0.734 19892 1118 1 5 . 1 1 124 124 ASP N N 124 126.759 126.759 123.780 2.979 19892 1119 1 5 . 1 1 124 124 ASP H H 124 8.603 8.603 8.183 0.420 19892 1120 1 5 . 1 1 125 125 PHE N N 125 122.992 122.992 125.602 -2.610 19892 1121 1 5 . 1 1 125 125 PHE H H 125 8.705 8.705 8.749 -0.044 19892 1122 1 5 . 1 1 126 126 SER N N 126 118.579 118.579 119.480 -0.901 19892 1123 1 5 . 1 1 126 126 SER H H 126 9.364 9.364 7.594 1.770 19892 1124 1 5 . 1 1 129 129 GLN N N 129 128.676 128.676 124.732 3.944 19892 1125 1 5 . 1 1 129 129 GLN H H 129 9.398 9.398 7.671 1.727 19892 1126 1 5 . 1 1 131 131 ARG N N 131 126.760 126.760 125.955 0.805 19892 1127 1 5 . 1 1 131 131 ARG H H 131 7.826 7.826 8.194 -0.368 19892 1128 1 5 . 1 1 132 132 ILE N N 132 129.144 129.144 123.188 5.956 19892 1129 1 5 . 1 1 132 132 ILE H H 132 8.799 8.799 9.086 -0.287 19892 1130 1 5 . 1 1 133 133 ARG N N 133 127.114 127.114 120.535 6.579 19892 1131 1 5 . 1 1 133 133 ARG H H 133 9.414 9.414 8.785 0.629 19892 1132 1 5 . 1 1 135 135 VAL N N 135 124.503 124.503 115.921 8.582 19892 1133 1 5 . 1 1 135 135 VAL H H 135 8.307 8.307 7.069 1.238 19892 1134 1 5 . 1 1 136 136 ASP N N 136 127.436 127.436 125.621 1.815 19892 1135 1 5 . 1 1 136 136 ASP H H 136 8.001 8.001 8.085 -0.084 19892 1136 1 5 . 1 1 137 137 VAL N N 137 123.910 123.910 123.178 0.732 19892 1137 1 5 . 1 1 137 137 VAL H H 137 8.756 8.756 8.058 0.698 19892 1138 1 5 . 1 1 138 138 GLY N N 138 116.455 116.455 111.948 4.507 19892 1139 1 5 . 1 1 138 138 GLY H H 138 8.349 8.349 8.086 0.263 19892 1140 1 5 . 1 1 139 139 THR N N 139 124.794 124.794 119.337 5.457 19892 1141 1 5 . 1 1 139 139 THR H H 139 8.727 8.727 8.040 0.687 19892 1142 1 5 . 1 1 141 141 ILE N N 141 124.275 124.275 120.531 3.744 19892 1143 1 5 . 1 1 141 141 ILE H H 141 9.099 9.099 7.509 1.590 19892 1144 1 5 . 1 1 142 142 ALA N N 142 127.355 127.355 128.004 -0.649 19892 1145 1 5 . 1 1 142 142 ALA H H 142 8.499 8.499 7.694 0.805 19892 1146 1 5 . 1 1 143 143 GLY N N 143 108.725 108.725 109.539 -0.814 19892 1147 1 5 . 1 1 143 143 GLY H H 143 9.570 9.570 7.877 1.693 19892 1148 1 5 . 1 1 144 144 VAL N N 144 114.300 114.300 119.548 -5.248 19892 1149 1 5 . 1 1 144 144 VAL H H 144 8.868 8.868 8.035 0.833 19892 1150 1 5 . 1 1 145 145 GLY N N 145 107.482 107.482 110.851 -3.369 19892 1151 1 5 . 1 1 145 145 GLY H H 145 8.718 8.718 8.064 0.654 19892 1152 1 5 . 1 1 146 146 TYR N N 146 121.832 121.832 124.880 -3.048 19892 1153 1 5 . 1 1 146 146 TYR H H 146 8.411 8.411 9.208 -0.797 19892 1154 1 5 . 1 1 147 147 ARG N N 147 130.069 130.069 128.056 2.013 19892 1155 1 5 . 1 1 147 147 ARG H H 147 7.621 7.621 7.673 -0.052 19892 1156 1 6 . 1 1 3 3 SER N N 3 123.587 123.587 115.870 7.717 19892 1157 1 6 . 1 1 3 3 SER H H 3 9.031 9.031 8.410 0.621 19892 1158 1 6 . 1 1 4 4 THR N N 4 116.754 116.754 116.785 -0.031 19892 1159 1 6 . 1 1 4 4 THR H H 4 8.556 8.556 7.787 0.769 19892 1160 1 6 . 1 1 5 5 VAL N N 5 128.336 128.336 125.839 2.497 19892 1161 1 6 . 1 1 5 5 VAL H H 5 8.817 8.817 8.726 0.091 19892 1162 1 6 . 1 1 6 6 THR N N 6 115.974 115.974 119.178 -3.204 19892 1163 1 6 . 1 1 6 6 THR H H 6 8.968 8.968 8.122 0.846 19892 1164 1 6 . 1 1 7 7 GLY N N 7 105.889 105.889 109.102 -3.213 19892 1165 1 6 . 1 1 7 7 GLY H H 7 8.766 8.766 7.926 0.840 19892 1166 1 6 . 1 1 8 8 GLY N N 8 105.854 105.854 107.975 -2.121 19892 1167 1 6 . 1 1 8 8 GLY H H 8 9.126 9.126 7.987 1.139 19892 1168 1 6 . 1 1 9 9 TYR N N 9 121.078 121.078 116.523 4.555 19892 1169 1 6 . 1 1 9 9 TYR H H 9 8.308 8.308 7.703 0.605 19892 1170 1 6 . 1 1 11 11 GLN N N 11 121.317 121.317 119.188 2.129 19892 1171 1 6 . 1 1 11 11 GLN H H 11 8.262 8.262 8.087 0.175 19892 1172 1 6 . 1 1 12 12 SER N N 12 123.836 123.836 118.306 5.530 19892 1173 1 6 . 1 1 12 12 SER H H 12 9.194 9.194 8.142 1.052 19892 1174 1 6 . 1 1 13 13 ASP N N 13 124.275 124.275 121.094 3.181 19892 1175 1 6 . 1 1 13 13 ASP H H 13 9.099 9.099 8.044 1.055 19892 1176 1 6 . 1 1 14 14 ALA N N 14 128.864 128.864 122.450 6.414 19892 1177 1 6 . 1 1 14 14 ALA H H 14 8.660 8.660 8.509 0.151 19892 1178 1 6 . 1 1 15 15 GLN H H 15 8.316 8.316 8.575 -0.259 19892 1179 1 6 . 1 1 16 16 GLY N N 16 112.489 112.489 111.925 0.564 19892 1180 1 6 . 1 1 16 16 GLY H H 16 8.701 8.701 8.818 -0.117 19892 1181 1 6 . 1 1 17 17 GLN N N 17 119.022 119.022 120.070 -1.048 19892 1182 1 6 . 1 1 17 17 GLN H H 17 8.111 8.111 7.607 0.504 19892 1183 1 6 . 1 1 18 18 MET N N 18 120.328 120.328 121.506 -1.178 19892 1184 1 6 . 1 1 18 18 MET H H 18 8.657 8.657 8.467 0.190 19892 1185 1 6 . 1 1 19 19 ASN N N 19 117.284 117.284 120.986 -3.702 19892 1186 1 6 . 1 1 19 19 ASN H H 19 8.009 8.009 8.141 -0.132 19892 1187 1 6 . 1 1 20 20 LYS N N 20 121.136 121.136 120.718 0.418 19892 1188 1 6 . 1 1 20 20 LYS H H 20 8.548 8.548 8.223 0.325 19892 1189 1 6 . 1 1 21 21 MET N N 21 119.903 119.903 118.387 1.516 19892 1190 1 6 . 1 1 21 21 MET H H 21 8.618 8.618 7.725 0.893 19892 1191 1 6 . 1 1 22 22 GLY N N 22 111.196 111.196 108.327 2.869 19892 1192 1 6 . 1 1 22 22 GLY H H 22 8.501 8.501 7.947 0.554 19892 1193 1 6 . 1 1 23 23 GLY N N 23 109.325 109.325 110.804 -1.479 19892 1194 1 6 . 1 1 23 23 GLY H H 23 8.092 8.092 7.679 0.413 19892 1195 1 6 . 1 1 24 24 PHE N N 24 120.147 120.147 116.042 4.105 19892 1196 1 6 . 1 1 24 24 PHE H H 24 9.306 9.306 8.077 1.229 19892 1197 1 6 . 1 1 25 25 ASN N N 25 118.392 118.392 119.123 -0.731 19892 1198 1 6 . 1 1 25 25 ASN H H 25 8.516 8.516 8.862 -0.346 19892 1199 1 6 . 1 1 26 26 LEU N N 26 125.392 125.392 124.284 1.108 19892 1200 1 6 . 1 1 26 26 LEU H H 26 9.381 9.381 8.355 1.026 19892 1201 1 6 . 1 1 27 27 LYS N N 27 117.292 117.292 120.264 -2.972 19892 1202 1 6 . 1 1 27 27 LYS H H 27 8.886 8.886 8.251 0.635 19892 1203 1 6 . 1 1 28 28 TYR N N 28 120.230 120.230 126.785 -6.555 19892 1204 1 6 . 1 1 28 28 TYR H H 28 8.358 8.358 9.352 -0.994 19892 1205 1 6 . 1 1 29 29 ARG N N 29 129.080 129.080 125.914 3.166 19892 1206 1 6 . 1 1 29 29 ARG H H 29 8.503 8.503 7.729 0.774 19892 1207 1 6 . 1 1 30 30 TYR N N 30 126.838 126.838 122.510 4.328 19892 1208 1 6 . 1 1 30 30 TYR H H 30 8.891 8.891 8.143 0.748 19892 1209 1 6 . 1 1 31 31 GLU N N 31 128.005 128.005 126.189 1.816 19892 1210 1 6 . 1 1 31 31 GLU H H 31 8.202 8.202 7.879 0.323 19892 1211 1 6 . 1 1 32 32 GLU N N 32 122.404 122.404 124.147 -1.743 19892 1212 1 6 . 1 1 32 32 GLU H H 32 9.137 9.137 8.617 0.520 19892 1213 1 6 . 1 1 33 33 ASP N N 33 121.672 121.672 126.441 -4.769 19892 1214 1 6 . 1 1 33 33 ASP H H 33 8.599 8.599 8.830 -0.231 19892 1215 1 6 . 1 1 35 35 SER N N 35 113.001 113.001 112.213 0.788 19892 1216 1 6 . 1 1 35 35 SER H H 35 7.363 7.363 7.662 -0.299 19892 1217 1 6 . 1 1 37 37 LEU N N 37 123.171 123.171 120.526 2.645 19892 1218 1 6 . 1 1 37 37 LEU H H 37 8.027 8.027 8.058 -0.031 19892 1219 1 6 . 1 1 38 38 GLY N N 38 115.826 115.826 110.129 5.697 19892 1220 1 6 . 1 1 38 38 GLY H H 38 9.050 9.050 7.622 1.428 19892 1221 1 6 . 1 1 39 39 VAL N N 39 117.450 117.450 117.975 -0.525 19892 1222 1 6 . 1 1 39 39 VAL H H 39 8.082 8.082 7.737 0.345 19892 1223 1 6 . 1 1 40 40 ILE N N 40 125.944 125.944 125.670 0.274 19892 1224 1 6 . 1 1 40 40 ILE H H 40 9.229 9.229 8.483 0.746 19892 1225 1 6 . 1 1 41 41 GLY N N 41 111.187 111.187 112.167 -0.980 19892 1226 1 6 . 1 1 41 41 GLY H H 41 9.112 9.112 9.132 -0.020 19892 1227 1 6 . 1 1 42 42 SER N N 42 116.459 116.459 119.565 -3.106 19892 1228 1 6 . 1 1 42 42 SER H H 42 9.282 9.282 8.805 0.477 19892 1229 1 6 . 1 1 43 43 PHE N N 43 128.932 128.932 120.314 8.618 19892 1230 1 6 . 1 1 43 43 PHE H H 43 9.335 9.335 8.408 0.927 19892 1231 1 6 . 1 1 44 44 THR N N 44 126.670 126.670 117.249 9.421 19892 1232 1 6 . 1 1 44 44 THR H H 44 8.685 8.685 8.930 -0.245 19892 1233 1 6 . 1 1 45 45 TYR N N 45 125.515 125.515 128.261 -2.746 19892 1234 1 6 . 1 1 45 45 TYR H H 45 8.176 8.176 8.568 -0.392 19892 1235 1 6 . 1 1 46 46 THR N N 46 117.315 117.315 118.872 -1.557 19892 1236 1 6 . 1 1 46 46 THR H H 46 8.574 8.574 7.902 0.672 19892 1237 1 6 . 1 1 47 47 GLU N N 47 111.930 111.930 119.061 -7.131 19892 1238 1 6 . 1 1 47 47 GLU H H 47 8.338 8.338 8.011 0.327 19892 1239 1 6 . 1 1 49 49 SER N N 49 123.107 123.107 121.266 1.841 19892 1240 1 6 . 1 1 49 49 SER H H 49 8.611 8.611 8.551 0.060 19892 1241 1 6 . 1 1 52 52 ALA N N 52 127.376 127.376 122.438 4.938 19892 1242 1 6 . 1 1 52 52 ALA H H 52 8.512 8.512 8.378 0.134 19892 1243 1 6 . 1 1 55 55 GLY N N 55 110.790 110.790 109.863 0.927 19892 1244 1 6 . 1 1 55 55 GLY H H 55 8.245 8.245 7.968 0.277 19892 1245 1 6 . 1 1 56 56 ASP N N 56 120.332 120.332 118.304 2.028 19892 1246 1 6 . 1 1 56 56 ASP H H 56 7.848 7.848 8.552 -0.704 19892 1247 1 6 . 1 1 57 57 TYR N N 57 121.702 121.702 120.102 1.600 19892 1248 1 6 . 1 1 57 57 TYR H H 57 8.313 8.313 8.021 0.292 19892 1249 1 6 . 1 1 58 58 ASN N N 58 122.198 122.198 115.152 7.046 19892 1250 1 6 . 1 1 58 58 ASN H H 58 8.360 8.360 8.191 0.169 19892 1251 1 6 . 1 1 59 59 LYS N N 59 121.010 121.010 123.599 -2.589 19892 1252 1 6 . 1 1 59 59 LYS H H 59 8.276 8.276 8.339 -0.063 19892 1253 1 6 . 1 1 60 60 ASN N N 60 123.086 123.086 121.724 1.362 19892 1254 1 6 . 1 1 60 60 ASN H H 60 8.397 8.397 8.331 0.066 19892 1255 1 6 . 1 1 61 61 GLN N N 61 120.020 120.020 117.397 2.623 19892 1256 1 6 . 1 1 61 61 GLN H H 61 8.499 8.499 7.881 0.618 19892 1257 1 6 . 1 1 62 62 TYR N N 62 123.137 123.137 122.222 0.915 19892 1258 1 6 . 1 1 62 62 TYR H H 62 8.650 8.650 7.607 1.043 19892 1259 1 6 . 1 1 63 63 TYR N N 63 123.929 123.929 125.624 -1.695 19892 1260 1 6 . 1 1 63 63 TYR H H 63 8.381 8.381 8.581 -0.200 19892 1261 1 6 . 1 1 64 64 GLY N N 64 106.738 106.738 110.306 -3.568 19892 1262 1 6 . 1 1 64 64 GLY H H 64 8.704 8.704 8.464 0.239 19892 1263 1 6 . 1 1 65 65 ILE N N 65 128.892 128.892 127.291 1.601 19892 1264 1 6 . 1 1 65 65 ILE H H 65 9.140 9.140 9.116 0.024 19892 1265 1 6 . 1 1 66 66 THR N N 66 115.392 115.392 122.437 -7.045 19892 1266 1 6 . 1 1 66 66 THR H H 66 9.025 9.025 8.475 0.550 19892 1267 1 6 . 1 1 67 67 ALA N N 67 118.885 118.885 126.578 -7.693 19892 1268 1 6 . 1 1 67 67 ALA H H 67 9.387 9.387 9.083 0.304 19892 1269 1 6 . 1 1 68 68 GLY N N 68 103.875 103.875 106.052 -2.177 19892 1270 1 6 . 1 1 68 68 GLY H H 68 9.016 9.016 7.761 1.255 19892 1271 1 6 . 1 1 70 70 ALA N N 70 120.214 120.214 120.349 -0.135 19892 1272 1 6 . 1 1 70 70 ALA H H 70 7.875 7.875 7.475 0.400 19892 1273 1 6 . 1 1 71 71 TYR N N 71 125.130 125.130 121.574 3.556 19892 1274 1 6 . 1 1 71 71 TYR H H 71 9.786 9.786 9.005 0.781 19892 1275 1 6 . 1 1 72 72 ARG N N 72 131.150 131.150 125.135 6.015 19892 1276 1 6 . 1 1 72 72 ARG H H 72 8.860 8.860 8.846 0.014 19892 1277 1 6 . 1 1 73 73 ILE N N 73 129.066 129.066 123.548 5.518 19892 1278 1 6 . 1 1 73 73 ILE H H 73 8.475 8.475 8.760 -0.285 19892 1279 1 6 . 1 1 77 77 ALA N N 77 124.611 124.611 115.438 9.173 19892 1280 1 6 . 1 1 77 77 ALA H H 77 7.817 7.817 7.385 0.432 19892 1281 1 6 . 1 1 78 78 SER N N 78 112.605 112.605 113.524 -0.919 19892 1282 1 6 . 1 1 78 78 SER H H 78 8.195 8.195 8.011 0.184 19892 1283 1 6 . 1 1 79 79 ILE N N 79 119.871 119.871 120.833 -0.962 19892 1284 1 6 . 1 1 79 79 ILE H H 79 9.072 9.072 7.949 1.123 19892 1285 1 6 . 1 1 80 80 TYR N N 80 119.773 119.773 123.469 -3.696 19892 1286 1 6 . 1 1 80 80 TYR H H 80 8.439 8.439 8.347 0.092 19892 1287 1 6 . 1 1 81 81 GLY N N 81 105.795 105.795 107.387 -1.592 19892 1288 1 6 . 1 1 81 81 GLY H H 81 8.135 8.135 8.316 -0.181 19892 1289 1 6 . 1 1 82 82 VAL N N 82 111.057 111.057 114.327 -3.270 19892 1290 1 6 . 1 1 82 82 VAL H H 82 8.553 8.553 8.614 -0.061 19892 1291 1 6 . 1 1 83 83 VAL N N 83 113.157 113.157 124.275 -11.118 19892 1292 1 6 . 1 1 83 83 VAL H H 83 9.021 9.021 8.702 0.319 19892 1293 1 6 . 1 1 84 84 GLY N N 84 107.838 107.838 113.394 -5.556 19892 1294 1 6 . 1 1 84 84 GLY H H 84 8.593 8.593 7.935 0.658 19892 1295 1 6 . 1 1 85 85 VAL N N 85 122.494 122.494 121.354 1.140 19892 1296 1 6 . 1 1 85 85 VAL H H 85 8.977 8.977 7.938 1.039 19892 1297 1 6 . 1 1 86 86 GLY N N 86 113.663 113.663 115.089 -1.426 19892 1298 1 6 . 1 1 86 86 GLY H H 86 8.871 8.871 8.009 0.862 19892 1299 1 6 . 1 1 87 87 TYR N N 87 123.276 123.276 120.954 2.322 19892 1300 1 6 . 1 1 87 87 TYR H H 87 9.213 9.213 8.774 0.439 19892 1301 1 6 . 1 1 89 89 LYS N N 89 122.370 122.370 122.630 -0.260 19892 1302 1 6 . 1 1 89 89 LYS H H 89 8.130 8.130 7.864 0.266 19892 1303 1 6 . 1 1 91 91 GLN N N 91 121.297 121.297 119.362 1.935 19892 1304 1 6 . 1 1 91 91 GLN H H 91 8.374 8.374 9.161 -0.787 19892 1305 1 6 . 1 1 95 95 TYR N N 95 123.254 123.254 119.378 3.876 19892 1306 1 6 . 1 1 95 95 TYR H H 95 8.263 8.263 7.515 0.748 19892 1307 1 6 . 1 1 98 98 TYR N N 98 122.383 122.383 121.547 0.836 19892 1308 1 6 . 1 1 98 98 TYR H H 98 8.110 8.110 8.010 0.100 19892 1309 1 6 . 1 1 99 99 LYS N N 99 122.511 122.511 115.641 6.870 19892 1310 1 6 . 1 1 99 99 LYS H H 99 8.019 8.019 7.790 0.229 19892 1311 1 6 . 1 1 102 102 THR N N 102 113.735 113.735 118.434 -4.699 19892 1312 1 6 . 1 1 102 102 THR H H 102 8.167 8.167 8.565 -0.398 19892 1313 1 6 . 1 1 103 103 SER N N 103 119.198 119.198 120.322 -1.124 19892 1314 1 6 . 1 1 103 103 SER H H 103 8.381 8.381 8.610 -0.229 19892 1315 1 6 . 1 1 104 104 ASP N N 104 122.272 122.272 124.824 -2.552 19892 1316 1 6 . 1 1 104 104 ASP H H 104 8.203 8.203 8.658 -0.455 19892 1317 1 6 . 1 1 105 105 TYR N N 105 116.595 116.595 120.061 -3.466 19892 1318 1 6 . 1 1 105 105 TYR H H 105 8.636 8.636 7.995 0.641 19892 1319 1 6 . 1 1 106 106 GLY N N 106 108.162 108.162 106.248 1.914 19892 1320 1 6 . 1 1 106 106 GLY H H 106 9.253 9.253 7.903 1.350 19892 1321 1 6 . 1 1 107 107 PHE N N 107 121.007 121.007 118.396 2.611 19892 1322 1 6 . 1 1 107 107 PHE H H 107 8.777 8.777 7.977 0.800 19892 1323 1 6 . 1 1 109 109 TYR N N 109 117.796 117.796 118.091 -0.295 19892 1324 1 6 . 1 1 109 109 TYR H H 109 8.596 8.596 7.978 0.618 19892 1325 1 6 . 1 1 110 110 GLY N N 110 105.777 105.777 107.274 -1.497 19892 1326 1 6 . 1 1 110 110 GLY H H 110 9.008 9.008 8.094 0.914 19892 1327 1 6 . 1 1 111 111 ALA N N 111 118.846 118.846 120.226 -1.380 19892 1328 1 6 . 1 1 111 111 ALA H H 111 8.492 8.492 7.853 0.639 19892 1329 1 6 . 1 1 112 112 GLY N N 112 105.658 105.658 104.904 0.754 19892 1330 1 6 . 1 1 112 112 GLY H H 112 7.893 7.893 7.589 0.304 19892 1331 1 6 . 1 1 113 113 LEU N N 113 116.176 116.176 113.867 2.309 19892 1332 1 6 . 1 1 113 113 LEU H H 113 9.009 9.009 8.152 0.857 19892 1333 1 6 . 1 1 114 114 GLN N N 114 115.313 115.313 119.719 -4.406 19892 1334 1 6 . 1 1 114 114 GLN H H 114 7.930 7.930 7.924 0.006 19892 1335 1 6 . 1 1 116 116 ASN N N 116 119.872 119.872 119.639 0.233 19892 1336 1 6 . 1 1 116 116 ASN H H 116 9.498 9.498 8.209 1.289 19892 1337 1 6 . 1 1 118 118 MET N N 118 109.702 109.702 115.443 -5.741 19892 1338 1 6 . 1 1 118 118 MET H H 118 7.330 7.330 7.389 -0.059 19892 1339 1 6 . 1 1 119 119 GLU N N 119 120.422 120.422 119.278 1.144 19892 1340 1 6 . 1 1 119 119 GLU H H 119 9.090 9.090 8.651 0.439 19892 1341 1 6 . 1 1 120 120 ASN N N 120 111.509 111.509 116.248 -4.739 19892 1342 1 6 . 1 1 120 120 ASN H H 120 8.385 8.385 8.002 0.383 19892 1343 1 6 . 1 1 121 121 VAL N N 121 117.347 117.347 119.442 -2.095 19892 1344 1 6 . 1 1 121 121 VAL H H 121 7.551 7.551 7.463 0.088 19892 1345 1 6 . 1 1 122 122 ALA N N 122 126.585 126.585 128.115 -1.530 19892 1346 1 6 . 1 1 122 122 ALA H H 122 8.209 8.209 7.778 0.431 19892 1347 1 6 . 1 1 123 123 LEU N N 123 120.129 120.129 122.982 -2.853 19892 1348 1 6 . 1 1 123 123 LEU H H 123 9.050 9.050 8.082 0.968 19892 1349 1 6 . 1 1 124 124 ASP N N 124 126.759 126.759 123.257 3.502 19892 1350 1 6 . 1 1 124 124 ASP H H 124 8.603 8.603 7.736 0.867 19892 1351 1 6 . 1 1 125 125 PHE N N 125 122.992 122.992 121.796 1.196 19892 1352 1 6 . 1 1 125 125 PHE H H 125 8.705 8.705 8.640 0.065 19892 1353 1 6 . 1 1 126 126 SER N N 126 118.579 118.579 115.796 2.783 19892 1354 1 6 . 1 1 126 126 SER H H 126 9.364 9.364 8.723 0.641 19892 1355 1 6 . 1 1 129 129 GLN N N 129 128.676 128.676 122.211 6.465 19892 1356 1 6 . 1 1 129 129 GLN H H 129 9.398 9.398 7.848 1.550 19892 1357 1 6 . 1 1 131 131 ARG N N 131 126.760 126.760 126.169 0.591 19892 1358 1 6 . 1 1 131 131 ARG H H 131 7.826 7.826 8.358 -0.532 19892 1359 1 6 . 1 1 132 132 ILE N N 132 129.144 129.144 123.652 5.492 19892 1360 1 6 . 1 1 132 132 ILE H H 132 8.799 8.799 9.103 -0.304 19892 1361 1 6 . 1 1 133 133 ARG N N 133 127.114 127.114 122.319 4.795 19892 1362 1 6 . 1 1 133 133 ARG H H 133 9.414 9.414 8.938 0.476 19892 1363 1 6 . 1 1 135 135 VAL N N 135 124.503 124.503 121.830 2.673 19892 1364 1 6 . 1 1 135 135 VAL H H 135 8.307 8.307 7.091 1.216 19892 1365 1 6 . 1 1 136 136 ASP N N 136 127.436 127.436 127.696 -0.260 19892 1366 1 6 . 1 1 136 136 ASP H H 136 8.001 8.001 8.185 -0.184 19892 1367 1 6 . 1 1 137 137 VAL N N 137 123.910 123.910 125.586 -1.676 19892 1368 1 6 . 1 1 137 137 VAL H H 137 8.756 8.756 9.081 -0.325 19892 1369 1 6 . 1 1 138 138 GLY N N 138 116.455 116.455 112.405 4.050 19892 1370 1 6 . 1 1 138 138 GLY H H 138 8.349 8.349 9.207 -0.858 19892 1371 1 6 . 1 1 139 139 THR N N 139 124.794 124.794 120.647 4.147 19892 1372 1 6 . 1 1 139 139 THR H H 139 8.727 8.727 8.200 0.527 19892 1373 1 6 . 1 1 141 141 ILE N N 141 124.275 124.275 120.911 3.364 19892 1374 1 6 . 1 1 141 141 ILE H H 141 9.099 9.099 8.054 1.045 19892 1375 1 6 . 1 1 142 142 ALA N N 142 127.355 127.355 126.533 0.822 19892 1376 1 6 . 1 1 142 142 ALA H H 142 8.499 8.499 7.780 0.719 19892 1377 1 6 . 1 1 143 143 GLY N N 143 108.725 108.725 107.790 0.935 19892 1378 1 6 . 1 1 143 143 GLY H H 143 9.570 9.570 7.684 1.886 19892 1379 1 6 . 1 1 144 144 VAL N N 144 114.300 114.300 116.107 -1.807 19892 1380 1 6 . 1 1 144 144 VAL H H 144 8.868 8.868 8.506 0.362 19892 1381 1 6 . 1 1 145 145 GLY N N 145 107.482 107.482 105.243 2.239 19892 1382 1 6 . 1 1 145 145 GLY H H 145 8.718 8.718 7.417 1.302 19892 1383 1 6 . 1 1 146 146 TYR N N 146 121.832 121.832 119.159 2.673 19892 1384 1 6 . 1 1 146 146 TYR H H 146 8.411 8.411 9.102 -0.691 19892 1385 1 6 . 1 1 147 147 ARG N N 147 130.069 130.069 120.656 9.413 19892 1386 1 6 . 1 1 147 147 ARG H H 147 7.621 7.621 8.597 -0.976 19892 1387 1 7 . 1 1 3 3 SER N N 3 123.587 123.587 116.507 7.080 19892 1388 1 7 . 1 1 3 3 SER H H 3 9.031 9.031 8.451 0.580 19892 1389 1 7 . 1 1 4 4 THR N N 4 116.754 116.754 120.173 -3.419 19892 1390 1 7 . 1 1 4 4 THR H H 4 8.556 8.556 8.301 0.255 19892 1391 1 7 . 1 1 5 5 VAL N N 5 128.336 128.336 121.484 6.852 19892 1392 1 7 . 1 1 5 5 VAL H H 5 8.817 8.817 8.498 0.319 19892 1393 1 7 . 1 1 6 6 THR N N 6 115.974 115.974 120.897 -4.923 19892 1394 1 7 . 1 1 6 6 THR H H 6 8.968 8.968 7.998 0.970 19892 1395 1 7 . 1 1 7 7 GLY N N 7 105.889 105.889 110.633 -4.744 19892 1396 1 7 . 1 1 7 7 GLY H H 7 8.766 8.766 7.949 0.817 19892 1397 1 7 . 1 1 8 8 GLY N N 8 105.854 105.854 106.735 -0.881 19892 1398 1 7 . 1 1 8 8 GLY H H 8 9.126 9.126 8.935 0.191 19892 1399 1 7 . 1 1 9 9 TYR N N 9 121.078 121.078 117.074 4.004 19892 1400 1 7 . 1 1 9 9 TYR H H 9 8.308 8.308 7.670 0.638 19892 1401 1 7 . 1 1 11 11 GLN N N 11 121.317 121.317 120.703 0.614 19892 1402 1 7 . 1 1 11 11 GLN H H 11 8.262 8.262 8.413 -0.151 19892 1403 1 7 . 1 1 12 12 SER N N 12 123.836 123.836 116.696 7.140 19892 1404 1 7 . 1 1 12 12 SER H H 12 9.194 9.194 8.084 1.110 19892 1405 1 7 . 1 1 13 13 ASP N N 13 124.275 124.275 121.343 2.932 19892 1406 1 7 . 1 1 13 13 ASP H H 13 9.099 9.099 7.938 1.161 19892 1407 1 7 . 1 1 14 14 ALA N N 14 128.864 128.864 125.278 3.586 19892 1408 1 7 . 1 1 14 14 ALA H H 14 8.660 8.660 8.106 0.554 19892 1409 1 7 . 1 1 15 15 GLN H H 15 8.316 8.316 8.057 0.259 19892 1410 1 7 . 1 1 16 16 GLY N N 16 112.489 112.489 111.276 1.213 19892 1411 1 7 . 1 1 16 16 GLY H H 16 8.701 8.701 8.635 0.066 19892 1412 1 7 . 1 1 17 17 GLN N N 17 119.022 119.022 119.167 -0.145 19892 1413 1 7 . 1 1 17 17 GLN H H 17 8.111 8.111 7.541 0.570 19892 1414 1 7 . 1 1 18 18 MET N N 18 120.328 120.328 118.984 1.344 19892 1415 1 7 . 1 1 18 18 MET H H 18 8.657 8.657 8.826 -0.169 19892 1416 1 7 . 1 1 19 19 ASN N N 19 117.284 117.284 111.420 5.864 19892 1417 1 7 . 1 1 19 19 ASN H H 19 8.009 8.009 7.927 0.082 19892 1418 1 7 . 1 1 20 20 LYS N N 20 121.136 121.136 118.523 2.613 19892 1419 1 7 . 1 1 20 20 LYS H H 20 8.548 8.548 8.170 0.378 19892 1420 1 7 . 1 1 21 21 MET N N 21 119.903 119.903 117.450 2.453 19892 1421 1 7 . 1 1 21 21 MET H H 21 8.618 8.618 7.773 0.845 19892 1422 1 7 . 1 1 22 22 GLY N N 22 111.196 111.196 106.630 4.566 19892 1423 1 7 . 1 1 22 22 GLY H H 22 8.501 8.501 7.934 0.567 19892 1424 1 7 . 1 1 23 23 GLY N N 23 109.325 109.325 110.690 -1.365 19892 1425 1 7 . 1 1 23 23 GLY H H 23 8.092 8.092 7.844 0.248 19892 1426 1 7 . 1 1 24 24 PHE N N 24 120.147 120.147 116.672 3.475 19892 1427 1 7 . 1 1 24 24 PHE H H 24 9.306 9.306 8.187 1.119 19892 1428 1 7 . 1 1 25 25 ASN N N 25 118.392 118.392 118.012 0.380 19892 1429 1 7 . 1 1 25 25 ASN H H 25 8.516 8.516 8.486 0.030 19892 1430 1 7 . 1 1 26 26 LEU N N 26 125.392 125.392 121.757 3.635 19892 1431 1 7 . 1 1 26 26 LEU H H 26 9.381 9.381 8.115 1.266 19892 1432 1 7 . 1 1 27 27 LYS N N 27 117.292 117.292 118.346 -1.054 19892 1433 1 7 . 1 1 27 27 LYS H H 27 8.886 8.886 8.101 0.785 19892 1434 1 7 . 1 1 28 28 TYR N N 28 120.230 120.230 121.134 -0.904 19892 1435 1 7 . 1 1 28 28 TYR H H 28 8.358 8.358 9.048 -0.690 19892 1436 1 7 . 1 1 29 29 ARG N N 29 129.080 129.080 124.817 4.263 19892 1437 1 7 . 1 1 29 29 ARG H H 29 8.503 8.503 8.363 0.140 19892 1438 1 7 . 1 1 30 30 TYR N N 30 126.838 126.838 126.828 0.010 19892 1439 1 7 . 1 1 30 30 TYR H H 30 8.891 8.891 8.593 0.298 19892 1440 1 7 . 1 1 31 31 GLU N N 31 128.005 128.005 124.372 3.633 19892 1441 1 7 . 1 1 31 31 GLU H H 31 8.202 8.202 7.815 0.387 19892 1442 1 7 . 1 1 32 32 GLU N N 32 122.404 122.404 120.569 1.835 19892 1443 1 7 . 1 1 32 32 GLU H H 32 9.137 9.137 8.715 0.422 19892 1444 1 7 . 1 1 33 33 ASP N N 33 121.672 121.672 120.349 1.323 19892 1445 1 7 . 1 1 33 33 ASP H H 33 8.599 8.599 8.765 -0.166 19892 1446 1 7 . 1 1 35 35 SER N N 35 113.001 113.001 115.540 -2.539 19892 1447 1 7 . 1 1 35 35 SER H H 35 7.363 7.363 7.660 -0.297 19892 1448 1 7 . 1 1 37 37 LEU N N 37 123.171 123.171 120.933 2.238 19892 1449 1 7 . 1 1 37 37 LEU H H 37 8.027 8.027 7.778 0.249 19892 1450 1 7 . 1 1 38 38 GLY N N 38 115.826 115.826 111.225 4.601 19892 1451 1 7 . 1 1 38 38 GLY H H 38 9.050 9.050 7.892 1.158 19892 1452 1 7 . 1 1 39 39 VAL N N 39 117.450 117.450 123.907 -6.457 19892 1453 1 7 . 1 1 39 39 VAL H H 39 8.082 8.082 7.755 0.327 19892 1454 1 7 . 1 1 40 40 ILE N N 40 125.944 125.944 125.625 0.319 19892 1455 1 7 . 1 1 40 40 ILE H H 40 9.229 9.229 8.473 0.756 19892 1456 1 7 . 1 1 41 41 GLY N N 41 111.187 111.187 112.767 -1.580 19892 1457 1 7 . 1 1 41 41 GLY H H 41 9.112 9.112 9.073 0.039 19892 1458 1 7 . 1 1 42 42 SER N N 42 116.459 116.459 120.964 -4.505 19892 1459 1 7 . 1 1 42 42 SER H H 42 9.282 9.282 8.771 0.511 19892 1460 1 7 . 1 1 43 43 PHE N N 43 128.932 128.932 123.613 5.319 19892 1461 1 7 . 1 1 43 43 PHE H H 43 9.335 9.335 8.525 0.810 19892 1462 1 7 . 1 1 44 44 THR N N 44 126.670 126.670 117.794 8.876 19892 1463 1 7 . 1 1 44 44 THR H H 44 8.685 8.685 8.769 -0.084 19892 1464 1 7 . 1 1 45 45 TYR N N 45 125.515 125.515 128.055 -2.540 19892 1465 1 7 . 1 1 45 45 TYR H H 45 8.176 8.176 8.686 -0.510 19892 1466 1 7 . 1 1 46 46 THR N N 46 117.315 117.315 118.769 -1.454 19892 1467 1 7 . 1 1 46 46 THR H H 46 8.574 8.574 7.975 0.599 19892 1468 1 7 . 1 1 47 47 GLU N N 47 111.930 111.930 119.191 -7.261 19892 1469 1 7 . 1 1 47 47 GLU H H 47 8.338 8.338 8.148 0.190 19892 1470 1 7 . 1 1 49 49 SER N N 49 123.107 123.107 120.468 2.639 19892 1471 1 7 . 1 1 49 49 SER H H 49 8.611 8.611 8.558 0.053 19892 1472 1 7 . 1 1 52 52 ALA N N 52 127.376 127.376 123.146 4.230 19892 1473 1 7 . 1 1 52 52 ALA H H 52 8.512 8.512 8.087 0.425 19892 1474 1 7 . 1 1 55 55 GLY N N 55 110.790 110.790 110.654 0.136 19892 1475 1 7 . 1 1 55 55 GLY H H 55 8.245 8.245 8.387 -0.142 19892 1476 1 7 . 1 1 56 56 ASP N N 56 120.332 120.332 122.921 -2.589 19892 1477 1 7 . 1 1 56 56 ASP H H 56 7.848 7.848 7.864 -0.016 19892 1478 1 7 . 1 1 57 57 TYR N N 57 121.702 121.702 115.939 5.763 19892 1479 1 7 . 1 1 57 57 TYR H H 57 8.313 8.313 8.240 0.073 19892 1480 1 7 . 1 1 58 58 ASN N N 58 122.198 122.198 116.951 5.247 19892 1481 1 7 . 1 1 58 58 ASN H H 58 8.360 8.360 7.864 0.496 19892 1482 1 7 . 1 1 59 59 LYS N N 59 121.010 121.010 121.162 -0.152 19892 1483 1 7 . 1 1 59 59 LYS H H 59 8.276 8.276 7.284 0.992 19892 1484 1 7 . 1 1 60 60 ASN N N 60 123.086 123.086 120.972 2.114 19892 1485 1 7 . 1 1 60 60 ASN H H 60 8.397 8.397 8.306 0.091 19892 1486 1 7 . 1 1 61 61 GLN N N 61 120.020 120.020 117.950 2.070 19892 1487 1 7 . 1 1 61 61 GLN H H 61 8.499 8.499 7.965 0.534 19892 1488 1 7 . 1 1 62 62 TYR N N 62 123.137 123.137 123.524 -0.387 19892 1489 1 7 . 1 1 62 62 TYR H H 62 8.650 8.650 8.064 0.586 19892 1490 1 7 . 1 1 63 63 TYR N N 63 123.929 123.929 129.610 -5.681 19892 1491 1 7 . 1 1 63 63 TYR H H 63 8.381 8.381 7.789 0.592 19892 1492 1 7 . 1 1 64 64 GLY N N 64 106.738 106.738 113.913 -7.175 19892 1493 1 7 . 1 1 64 64 GLY H H 64 8.704 8.704 7.808 0.896 19892 1494 1 7 . 1 1 65 65 ILE N N 65 128.892 128.892 126.149 2.743 19892 1495 1 7 . 1 1 65 65 ILE H H 65 9.140 9.140 7.969 1.171 19892 1496 1 7 . 1 1 66 66 THR N N 66 115.392 115.392 124.319 -8.927 19892 1497 1 7 . 1 1 66 66 THR H H 66 9.025 9.025 8.044 0.981 19892 1498 1 7 . 1 1 67 67 ALA N N 67 118.885 118.885 126.345 -7.460 19892 1499 1 7 . 1 1 67 67 ALA H H 67 9.387 9.387 8.300 1.087 19892 1500 1 7 . 1 1 68 68 GLY N N 68 103.875 103.875 106.460 -2.585 19892 1501 1 7 . 1 1 68 68 GLY H H 68 9.016 9.016 7.788 1.228 19892 1502 1 7 . 1 1 70 70 ALA N N 70 120.214 120.214 119.245 0.969 19892 1503 1 7 . 1 1 70 70 ALA H H 70 7.875 7.875 7.572 0.303 19892 1504 1 7 . 1 1 71 71 TYR N N 71 125.130 125.130 119.901 5.229 19892 1505 1 7 . 1 1 71 71 TYR H H 71 9.786 9.786 9.229 0.557 19892 1506 1 7 . 1 1 72 72 ARG N N 72 131.150 131.150 122.805 8.345 19892 1507 1 7 . 1 1 72 72 ARG H H 72 8.860 8.860 8.936 -0.076 19892 1508 1 7 . 1 1 73 73 ILE N N 73 129.066 129.066 127.905 1.161 19892 1509 1 7 . 1 1 73 73 ILE H H 73 8.475 8.475 8.077 0.398 19892 1510 1 7 . 1 1 77 77 ALA N N 77 124.611 124.611 124.723 -0.112 19892 1511 1 7 . 1 1 77 77 ALA H H 77 7.817 7.817 8.195 -0.378 19892 1512 1 7 . 1 1 78 78 SER N N 78 112.605 112.605 116.130 -3.525 19892 1513 1 7 . 1 1 78 78 SER H H 78 8.195 8.195 8.099 0.096 19892 1514 1 7 . 1 1 79 79 ILE N N 79 119.871 119.871 123.756 -3.885 19892 1515 1 7 . 1 1 79 79 ILE H H 79 9.072 9.072 8.846 0.226 19892 1516 1 7 . 1 1 80 80 TYR N N 80 119.773 119.773 125.032 -5.259 19892 1517 1 7 . 1 1 80 80 TYR H H 80 8.439 8.439 8.444 -0.005 19892 1518 1 7 . 1 1 81 81 GLY N N 81 105.795 105.795 107.289 -1.494 19892 1519 1 7 . 1 1 81 81 GLY H H 81 8.135 8.135 8.060 0.075 19892 1520 1 7 . 1 1 82 82 VAL N N 82 111.057 111.057 115.408 -4.351 19892 1521 1 7 . 1 1 82 82 VAL H H 82 8.553 8.553 8.625 -0.072 19892 1522 1 7 . 1 1 83 83 VAL N N 83 113.157 113.157 114.989 -1.832 19892 1523 1 7 . 1 1 83 83 VAL H H 83 9.021 9.021 7.752 1.269 19892 1524 1 7 . 1 1 84 84 GLY N N 84 107.838 107.838 108.360 -0.522 19892 1525 1 7 . 1 1 84 84 GLY H H 84 8.593 8.593 7.255 1.338 19892 1526 1 7 . 1 1 85 85 VAL N N 85 122.494 122.494 118.918 3.576 19892 1527 1 7 . 1 1 85 85 VAL H H 85 8.977 8.977 7.907 1.070 19892 1528 1 7 . 1 1 86 86 GLY N N 86 113.663 113.663 112.538 1.125 19892 1529 1 7 . 1 1 86 86 GLY H H 86 8.871 8.871 7.898 0.973 19892 1530 1 7 . 1 1 87 87 TYR N N 87 123.276 123.276 121.822 1.454 19892 1531 1 7 . 1 1 87 87 TYR H H 87 9.213 9.213 8.385 0.828 19892 1532 1 7 . 1 1 89 89 LYS N N 89 122.370 122.370 127.234 -4.864 19892 1533 1 7 . 1 1 89 89 LYS H H 89 8.130 8.130 7.640 0.490 19892 1534 1 7 . 1 1 91 91 GLN N N 91 121.297 121.297 121.116 0.181 19892 1535 1 7 . 1 1 91 91 GLN H H 91 8.374 8.374 8.976 -0.602 19892 1536 1 7 . 1 1 95 95 TYR N N 95 123.254 123.254 124.787 -1.533 19892 1537 1 7 . 1 1 95 95 TYR H H 95 8.263 8.263 8.777 -0.514 19892 1538 1 7 . 1 1 98 98 TYR N N 98 122.383 122.383 122.318 0.065 19892 1539 1 7 . 1 1 98 98 TYR H H 98 8.110 8.110 8.610 -0.500 19892 1540 1 7 . 1 1 99 99 LYS N N 99 122.511 122.511 122.939 -0.428 19892 1541 1 7 . 1 1 99 99 LYS H H 99 8.019 8.019 7.995 0.024 19892 1542 1 7 . 1 1 102 102 THR N N 102 113.735 113.735 118.772 -5.037 19892 1543 1 7 . 1 1 102 102 THR H H 102 8.167 8.167 8.297 -0.130 19892 1544 1 7 . 1 1 103 103 SER N N 103 119.198 119.198 119.754 -0.556 19892 1545 1 7 . 1 1 103 103 SER H H 103 8.381 8.381 8.382 -0.001 19892 1546 1 7 . 1 1 104 104 ASP N N 104 122.272 122.272 123.826 -1.554 19892 1547 1 7 . 1 1 104 104 ASP H H 104 8.203 8.203 8.481 -0.278 19892 1548 1 7 . 1 1 105 105 TYR N N 105 116.595 116.595 121.825 -5.230 19892 1549 1 7 . 1 1 105 105 TYR H H 105 8.636 8.636 7.871 0.765 19892 1550 1 7 . 1 1 106 106 GLY N N 106 108.162 108.162 105.996 2.166 19892 1551 1 7 . 1 1 106 106 GLY H H 106 9.253 9.253 7.738 1.515 19892 1552 1 7 . 1 1 107 107 PHE N N 107 121.007 121.007 119.587 1.420 19892 1553 1 7 . 1 1 107 107 PHE H H 107 8.777 8.777 7.880 0.897 19892 1554 1 7 . 1 1 109 109 TYR N N 109 117.796 117.796 120.626 -2.830 19892 1555 1 7 . 1 1 109 109 TYR H H 109 8.596 8.596 8.111 0.485 19892 1556 1 7 . 1 1 110 110 GLY N N 110 105.777 105.777 109.012 -3.235 19892 1557 1 7 . 1 1 110 110 GLY H H 110 9.008 9.008 7.648 1.360 19892 1558 1 7 . 1 1 111 111 ALA N N 111 118.846 118.846 119.739 -0.893 19892 1559 1 7 . 1 1 111 111 ALA H H 111 8.492 8.492 7.753 0.739 19892 1560 1 7 . 1 1 112 112 GLY N N 112 105.658 105.658 105.078 0.580 19892 1561 1 7 . 1 1 112 112 GLY H H 112 7.893 7.893 7.131 0.762 19892 1562 1 7 . 1 1 113 113 LEU N N 113 116.176 116.176 114.110 2.066 19892 1563 1 7 . 1 1 113 113 LEU H H 113 9.009 9.009 7.918 1.091 19892 1564 1 7 . 1 1 114 114 GLN N N 114 115.313 115.313 117.695 -2.382 19892 1565 1 7 . 1 1 114 114 GLN H H 114 7.930 7.930 8.132 -0.202 19892 1566 1 7 . 1 1 116 116 ASN N N 116 119.872 119.872 118.727 1.145 19892 1567 1 7 . 1 1 116 116 ASN H H 116 9.498 9.498 8.718 0.780 19892 1568 1 7 . 1 1 118 118 MET N N 118 109.702 109.702 118.901 -9.199 19892 1569 1 7 . 1 1 118 118 MET H H 118 7.330 7.330 7.776 -0.446 19892 1570 1 7 . 1 1 119 119 GLU N N 119 120.422 120.422 125.622 -5.200 19892 1571 1 7 . 1 1 119 119 GLU H H 119 9.090 9.090 8.934 0.156 19892 1572 1 7 . 1 1 120 120 ASN N N 120 111.509 111.509 114.289 -2.780 19892 1573 1 7 . 1 1 120 120 ASN H H 120 8.385 8.385 8.257 0.128 19892 1574 1 7 . 1 1 121 121 VAL N N 121 117.347 117.347 119.645 -2.298 19892 1575 1 7 . 1 1 121 121 VAL H H 121 7.551 7.551 6.972 0.579 19892 1576 1 7 . 1 1 122 122 ALA N N 122 126.585 126.585 126.933 -0.348 19892 1577 1 7 . 1 1 122 122 ALA H H 122 8.209 8.209 7.571 0.638 19892 1578 1 7 . 1 1 123 123 LEU N N 123 120.129 120.129 123.478 -3.349 19892 1579 1 7 . 1 1 123 123 LEU H H 123 9.050 9.050 7.833 1.217 19892 1580 1 7 . 1 1 124 124 ASP N N 124 126.759 126.759 117.714 9.045 19892 1581 1 7 . 1 1 124 124 ASP H H 124 8.603 8.603 7.861 0.742 19892 1582 1 7 . 1 1 125 125 PHE N N 125 122.992 122.992 117.437 5.555 19892 1583 1 7 . 1 1 125 125 PHE H H 125 8.705 8.705 7.924 0.781 19892 1584 1 7 . 1 1 126 126 SER N N 126 118.579 118.579 114.818 3.761 19892 1585 1 7 . 1 1 126 126 SER H H 126 9.364 9.364 8.530 0.834 19892 1586 1 7 . 1 1 129 129 GLN N N 129 128.676 128.676 126.275 2.401 19892 1587 1 7 . 1 1 129 129 GLN H H 129 9.398 9.398 8.638 0.760 19892 1588 1 7 . 1 1 131 131 ARG N N 131 126.760 126.760 123.270 3.490 19892 1589 1 7 . 1 1 131 131 ARG H H 131 7.826 7.826 8.498 -0.672 19892 1590 1 7 . 1 1 132 132 ILE N N 132 129.144 129.144 124.131 5.013 19892 1591 1 7 . 1 1 132 132 ILE H H 132 8.799 8.799 8.806 -0.007 19892 1592 1 7 . 1 1 133 133 ARG N N 133 127.114 127.114 123.249 3.865 19892 1593 1 7 . 1 1 133 133 ARG H H 133 9.414 9.414 8.450 0.964 19892 1594 1 7 . 1 1 135 135 VAL N N 135 124.503 124.503 121.272 3.231 19892 1595 1 7 . 1 1 135 135 VAL H H 135 8.307 8.307 7.448 0.859 19892 1596 1 7 . 1 1 136 136 ASP N N 136 127.436 127.436 127.500 -0.064 19892 1597 1 7 . 1 1 136 136 ASP H H 136 8.001 8.001 8.183 -0.182 19892 1598 1 7 . 1 1 137 137 VAL N N 137 123.910 123.910 126.184 -2.274 19892 1599 1 7 . 1 1 137 137 VAL H H 137 8.756 8.756 7.889 0.867 19892 1600 1 7 . 1 1 138 138 GLY N N 138 116.455 116.455 112.631 3.824 19892 1601 1 7 . 1 1 138 138 GLY H H 138 8.349 8.349 8.051 0.298 19892 1602 1 7 . 1 1 139 139 THR N N 139 124.794 124.794 121.408 3.386 19892 1603 1 7 . 1 1 139 139 THR H H 139 8.727 8.727 7.952 0.775 19892 1604 1 7 . 1 1 141 141 ILE N N 141 124.275 124.275 121.289 2.986 19892 1605 1 7 . 1 1 141 141 ILE H H 141 9.099 9.099 8.218 0.881 19892 1606 1 7 . 1 1 142 142 ALA N N 142 127.355 127.355 127.856 -0.501 19892 1607 1 7 . 1 1 142 142 ALA H H 142 8.499 8.499 7.767 0.732 19892 1608 1 7 . 1 1 143 143 GLY N N 143 108.725 108.725 107.809 0.916 19892 1609 1 7 . 1 1 143 143 GLY H H 143 9.570 9.570 7.922 1.648 19892 1610 1 7 . 1 1 144 144 VAL N N 144 114.300 114.300 115.868 -1.568 19892 1611 1 7 . 1 1 144 144 VAL H H 144 8.868 8.868 8.390 0.478 19892 1612 1 7 . 1 1 145 145 GLY N N 145 107.482 107.482 105.539 1.943 19892 1613 1 7 . 1 1 145 145 GLY H H 145 8.718 8.718 7.264 1.454 19892 1614 1 7 . 1 1 146 146 TYR N N 146 121.832 121.832 119.884 1.948 19892 1615 1 7 . 1 1 146 146 TYR H H 146 8.411 8.411 9.020 -0.609 19892 1616 1 7 . 1 1 147 147 ARG N N 147 130.069 130.069 121.830 8.239 19892 1617 1 7 . 1 1 147 147 ARG H H 147 7.621 7.621 8.165 -0.544 19892 1618 1 8 . 1 1 3 3 SER N N 3 123.587 123.587 115.815 7.772 19892 1619 1 8 . 1 1 3 3 SER H H 3 9.031 9.031 8.367 0.664 19892 1620 1 8 . 1 1 4 4 THR N N 4 116.754 116.754 119.071 -2.317 19892 1621 1 8 . 1 1 4 4 THR H H 4 8.556 8.556 7.906 0.650 19892 1622 1 8 . 1 1 5 5 VAL N N 5 128.336 128.336 120.628 7.708 19892 1623 1 8 . 1 1 5 5 VAL H H 5 8.817 8.817 8.400 0.417 19892 1624 1 8 . 1 1 6 6 THR N N 6 115.974 115.974 120.196 -4.222 19892 1625 1 8 . 1 1 6 6 THR H H 6 8.968 8.968 7.906 1.062 19892 1626 1 8 . 1 1 7 7 GLY N N 7 105.889 105.889 111.630 -5.741 19892 1627 1 8 . 1 1 7 7 GLY H H 7 8.766 8.766 7.800 0.966 19892 1628 1 8 . 1 1 8 8 GLY N N 8 105.854 105.854 106.368 -0.514 19892 1629 1 8 . 1 1 8 8 GLY H H 8 9.126 9.126 7.220 1.906 19892 1630 1 8 . 1 1 9 9 TYR N N 9 121.078 121.078 119.650 1.428 19892 1631 1 8 . 1 1 9 9 TYR H H 9 8.308 8.308 7.830 0.478 19892 1632 1 8 . 1 1 11 11 GLN N N 11 121.317 121.317 121.101 0.216 19892 1633 1 8 . 1 1 11 11 GLN H H 11 8.262 8.262 8.397 -0.135 19892 1634 1 8 . 1 1 12 12 SER N N 12 123.836 123.836 116.071 7.765 19892 1635 1 8 . 1 1 12 12 SER H H 12 9.194 9.194 8.396 0.798 19892 1636 1 8 . 1 1 13 13 ASP N N 13 124.275 124.275 125.243 -0.968 19892 1637 1 8 . 1 1 13 13 ASP H H 13 9.099 9.099 8.356 0.743 19892 1638 1 8 . 1 1 14 14 ALA N N 14 128.864 128.864 123.758 5.106 19892 1639 1 8 . 1 1 14 14 ALA H H 14 8.660 8.660 8.369 0.291 19892 1640 1 8 . 1 1 15 15 GLN H H 15 8.316 8.316 8.871 -0.555 19892 1641 1 8 . 1 1 16 16 GLY N N 16 112.489 112.489 114.466 -1.977 19892 1642 1 8 . 1 1 16 16 GLY H H 16 8.701 8.701 8.701 0.000 19892 1643 1 8 . 1 1 17 17 GLN N N 17 119.022 119.022 119.263 -0.241 19892 1644 1 8 . 1 1 17 17 GLN H H 17 8.111 8.111 8.087 0.024 19892 1645 1 8 . 1 1 18 18 MET N N 18 120.328 120.328 119.904 0.424 19892 1646 1 8 . 1 1 18 18 MET H H 18 8.657 8.657 8.326 0.331 19892 1647 1 8 . 1 1 19 19 ASN N N 19 117.284 117.284 120.971 -3.687 19892 1648 1 8 . 1 1 19 19 ASN H H 19 8.009 8.009 8.172 -0.163 19892 1649 1 8 . 1 1 20 20 LYS N N 20 121.136 121.136 122.819 -1.683 19892 1650 1 8 . 1 1 20 20 LYS H H 20 8.548 8.548 8.210 0.338 19892 1651 1 8 . 1 1 21 21 MET N N 21 119.903 119.903 117.169 2.734 19892 1652 1 8 . 1 1 21 21 MET H H 21 8.618 8.618 7.864 0.754 19892 1653 1 8 . 1 1 22 22 GLY N N 22 111.196 111.196 106.790 4.406 19892 1654 1 8 . 1 1 22 22 GLY H H 22 8.501 8.501 8.094 0.407 19892 1655 1 8 . 1 1 23 23 GLY N N 23 109.325 109.325 104.876 4.449 19892 1656 1 8 . 1 1 23 23 GLY H H 23 8.092 8.092 7.768 0.324 19892 1657 1 8 . 1 1 24 24 PHE N N 24 120.147 120.147 122.367 -2.220 19892 1658 1 8 . 1 1 24 24 PHE H H 24 9.306 9.306 8.138 1.168 19892 1659 1 8 . 1 1 25 25 ASN N N 25 118.392 118.392 125.209 -6.817 19892 1660 1 8 . 1 1 25 25 ASN H H 25 8.516 8.516 7.555 0.961 19892 1661 1 8 . 1 1 26 26 LEU N N 26 125.392 125.392 125.616 -0.224 19892 1662 1 8 . 1 1 26 26 LEU H H 26 9.381 9.381 8.079 1.302 19892 1663 1 8 . 1 1 27 27 LYS N N 27 117.292 117.292 123.355 -6.063 19892 1664 1 8 . 1 1 27 27 LYS H H 27 8.886 8.886 7.959 0.927 19892 1665 1 8 . 1 1 28 28 TYR N N 28 120.230 120.230 120.352 -0.122 19892 1666 1 8 . 1 1 28 28 TYR H H 28 8.358 8.358 8.420 -0.062 19892 1667 1 8 . 1 1 29 29 ARG N N 29 129.080 129.080 123.334 5.746 19892 1668 1 8 . 1 1 29 29 ARG H H 29 8.503 8.503 8.109 0.394 19892 1669 1 8 . 1 1 30 30 TYR N N 30 126.838 126.838 123.421 3.417 19892 1670 1 8 . 1 1 30 30 TYR H H 30 8.891 8.891 8.718 0.173 19892 1671 1 8 . 1 1 31 31 GLU N N 31 128.005 128.005 121.408 6.597 19892 1672 1 8 . 1 1 31 31 GLU H H 31 8.202 8.202 8.993 -0.791 19892 1673 1 8 . 1 1 32 32 GLU N N 32 122.404 122.404 123.618 -1.214 19892 1674 1 8 . 1 1 32 32 GLU H H 32 9.137 9.137 8.850 0.287 19892 1675 1 8 . 1 1 33 33 ASP N N 33 121.672 121.672 126.183 -4.511 19892 1676 1 8 . 1 1 33 33 ASP H H 33 8.599 8.599 8.855 -0.256 19892 1677 1 8 . 1 1 35 35 SER N N 35 113.001 113.001 112.028 0.973 19892 1678 1 8 . 1 1 35 35 SER H H 35 7.363 7.363 7.659 -0.296 19892 1679 1 8 . 1 1 37 37 LEU N N 37 123.171 123.171 119.517 3.654 19892 1680 1 8 . 1 1 37 37 LEU H H 37 8.027 8.027 7.455 0.572 19892 1681 1 8 . 1 1 38 38 GLY N N 38 115.826 115.826 110.570 5.256 19892 1682 1 8 . 1 1 38 38 GLY H H 38 9.050 9.050 7.844 1.206 19892 1683 1 8 . 1 1 39 39 VAL N N 39 117.450 117.450 120.070 -2.620 19892 1684 1 8 . 1 1 39 39 VAL H H 39 8.082 8.082 7.917 0.165 19892 1685 1 8 . 1 1 40 40 ILE N N 40 125.944 125.944 125.451 0.493 19892 1686 1 8 . 1 1 40 40 ILE H H 40 9.229 9.229 7.937 1.292 19892 1687 1 8 . 1 1 41 41 GLY N N 41 111.187 111.187 112.614 -1.427 19892 1688 1 8 . 1 1 41 41 GLY H H 41 9.112 9.112 8.794 0.318 19892 1689 1 8 . 1 1 42 42 SER N N 42 116.459 116.459 116.627 -0.168 19892 1690 1 8 . 1 1 42 42 SER H H 42 9.282 9.282 8.367 0.915 19892 1691 1 8 . 1 1 43 43 PHE N N 43 128.932 128.932 123.456 5.476 19892 1692 1 8 . 1 1 43 43 PHE H H 43 9.335 9.335 8.460 0.875 19892 1693 1 8 . 1 1 44 44 THR N N 44 126.670 126.670 115.872 10.798 19892 1694 1 8 . 1 1 44 44 THR H H 44 8.685 8.685 8.223 0.462 19892 1695 1 8 . 1 1 45 45 TYR N N 45 125.515 125.515 125.586 -0.071 19892 1696 1 8 . 1 1 45 45 TYR H H 45 8.176 8.176 8.206 -0.030 19892 1697 1 8 . 1 1 46 46 THR N N 46 117.315 117.315 120.862 -3.547 19892 1698 1 8 . 1 1 46 46 THR H H 46 8.574 8.574 8.368 0.206 19892 1699 1 8 . 1 1 47 47 GLU N N 47 111.930 111.930 122.336 -10.406 19892 1700 1 8 . 1 1 47 47 GLU H H 47 8.338 8.338 8.139 0.199 19892 1701 1 8 . 1 1 49 49 SER N N 49 123.107 123.107 116.857 6.250 19892 1702 1 8 . 1 1 49 49 SER H H 49 8.611 8.611 8.380 0.231 19892 1703 1 8 . 1 1 52 52 ALA N N 52 127.376 127.376 123.283 4.093 19892 1704 1 8 . 1 1 52 52 ALA H H 52 8.512 8.512 8.583 -0.071 19892 1705 1 8 . 1 1 55 55 GLY N N 55 110.790 110.790 110.900 -0.110 19892 1706 1 8 . 1 1 55 55 GLY H H 55 8.245 8.245 8.268 -0.023 19892 1707 1 8 . 1 1 56 56 ASP N N 56 120.332 120.332 117.303 3.029 19892 1708 1 8 . 1 1 56 56 ASP H H 56 7.848 7.848 8.069 -0.221 19892 1709 1 8 . 1 1 57 57 TYR N N 57 121.702 121.702 118.454 3.248 19892 1710 1 8 . 1 1 57 57 TYR H H 57 8.313 8.313 7.351 0.962 19892 1711 1 8 . 1 1 58 58 ASN N N 58 122.198 122.198 119.847 2.351 19892 1712 1 8 . 1 1 58 58 ASN H H 58 8.360 8.360 9.129 -0.769 19892 1713 1 8 . 1 1 59 59 LYS N N 59 121.010 121.010 120.038 0.972 19892 1714 1 8 . 1 1 59 59 LYS H H 59 8.276 8.276 8.162 0.114 19892 1715 1 8 . 1 1 60 60 ASN N N 60 123.086 123.086 119.139 3.947 19892 1716 1 8 . 1 1 60 60 ASN H H 60 8.397 8.397 8.152 0.245 19892 1717 1 8 . 1 1 61 61 GLN N N 61 120.020 120.020 122.905 -2.885 19892 1718 1 8 . 1 1 61 61 GLN H H 61 8.499 8.499 8.083 0.416 19892 1719 1 8 . 1 1 62 62 TYR N N 62 123.137 123.137 123.081 0.056 19892 1720 1 8 . 1 1 62 62 TYR H H 62 8.650 8.650 8.458 0.192 19892 1721 1 8 . 1 1 63 63 TYR N N 63 123.929 123.929 129.342 -5.413 19892 1722 1 8 . 1 1 63 63 TYR H H 63 8.381 8.381 7.711 0.670 19892 1723 1 8 . 1 1 64 64 GLY N N 64 106.738 106.738 112.920 -6.182 19892 1724 1 8 . 1 1 64 64 GLY H H 64 8.704 8.704 7.221 1.483 19892 1725 1 8 . 1 1 65 65 ILE N N 65 128.892 128.892 121.599 7.293 19892 1726 1 8 . 1 1 65 65 ILE H H 65 9.140 9.140 8.023 1.117 19892 1727 1 8 . 1 1 66 66 THR N N 66 115.392 115.392 115.748 -0.356 19892 1728 1 8 . 1 1 66 66 THR H H 66 9.025 9.025 8.282 0.743 19892 1729 1 8 . 1 1 67 67 ALA N N 67 118.885 118.885 123.713 -4.828 19892 1730 1 8 . 1 1 67 67 ALA H H 67 9.387 9.387 8.463 0.924 19892 1731 1 8 . 1 1 68 68 GLY N N 68 103.875 103.875 106.085 -2.210 19892 1732 1 8 . 1 1 68 68 GLY H H 68 9.016 9.016 7.778 1.238 19892 1733 1 8 . 1 1 70 70 ALA N N 70 120.214 120.214 119.585 0.629 19892 1734 1 8 . 1 1 70 70 ALA H H 70 7.875 7.875 7.456 0.419 19892 1735 1 8 . 1 1 71 71 TYR N N 71 125.130 125.130 120.461 4.669 19892 1736 1 8 . 1 1 71 71 TYR H H 71 9.786 9.786 8.405 1.381 19892 1737 1 8 . 1 1 72 72 ARG N N 72 131.150 131.150 121.814 9.336 19892 1738 1 8 . 1 1 72 72 ARG H H 72 8.860 8.860 8.651 0.209 19892 1739 1 8 . 1 1 73 73 ILE N N 73 129.066 129.066 117.756 11.310 19892 1740 1 8 . 1 1 73 73 ILE H H 73 8.475 8.475 8.847 -0.372 19892 1741 1 8 . 1 1 77 77 ALA N N 77 124.611 124.611 124.613 -0.002 19892 1742 1 8 . 1 1 77 77 ALA H H 77 7.817 7.817 8.595 -0.778 19892 1743 1 8 . 1 1 78 78 SER N N 78 112.605 112.605 114.347 -1.742 19892 1744 1 8 . 1 1 78 78 SER H H 78 8.195 8.195 8.037 0.158 19892 1745 1 8 . 1 1 79 79 ILE N N 79 119.871 119.871 122.259 -2.388 19892 1746 1 8 . 1 1 79 79 ILE H H 79 9.072 9.072 8.121 0.951 19892 1747 1 8 . 1 1 80 80 TYR N N 80 119.773 119.773 123.118 -3.345 19892 1748 1 8 . 1 1 80 80 TYR H H 80 8.439 8.439 8.200 0.239 19892 1749 1 8 . 1 1 81 81 GLY N N 81 105.795 105.795 107.296 -1.501 19892 1750 1 8 . 1 1 81 81 GLY H H 81 8.135 8.135 7.996 0.139 19892 1751 1 8 . 1 1 82 82 VAL N N 82 111.057 111.057 119.576 -8.519 19892 1752 1 8 . 1 1 82 82 VAL H H 82 8.553 8.553 8.499 0.054 19892 1753 1 8 . 1 1 83 83 VAL N N 83 113.157 113.157 119.700 -6.543 19892 1754 1 8 . 1 1 83 83 VAL H H 83 9.021 9.021 7.918 1.103 19892 1755 1 8 . 1 1 84 84 GLY N N 84 107.838 107.838 109.206 -1.368 19892 1756 1 8 . 1 1 84 84 GLY H H 84 8.593 8.593 7.904 0.689 19892 1757 1 8 . 1 1 85 85 VAL N N 85 122.494 122.494 115.916 6.578 19892 1758 1 8 . 1 1 85 85 VAL H H 85 8.977 8.977 7.871 1.106 19892 1759 1 8 . 1 1 86 86 GLY N N 86 113.663 113.663 107.960 5.703 19892 1760 1 8 . 1 1 86 86 GLY H H 86 8.871 8.871 8.232 0.639 19892 1761 1 8 . 1 1 87 87 TYR N N 87 123.276 123.276 119.544 3.732 19892 1762 1 8 . 1 1 87 87 TYR H H 87 9.213 9.213 7.726 1.487 19892 1763 1 8 . 1 1 89 89 LYS N N 89 122.370 122.370 123.497 -1.127 19892 1764 1 8 . 1 1 89 89 LYS H H 89 8.130 8.130 7.681 0.449 19892 1765 1 8 . 1 1 91 91 GLN N N 91 121.297 121.297 123.559 -2.262 19892 1766 1 8 . 1 1 91 91 GLN H H 91 8.374 8.374 8.400 -0.026 19892 1767 1 8 . 1 1 95 95 TYR N N 95 123.254 123.254 119.890 3.364 19892 1768 1 8 . 1 1 95 95 TYR H H 95 8.263 8.263 8.802 -0.539 19892 1769 1 8 . 1 1 98 98 TYR N N 98 122.383 122.383 120.478 1.905 19892 1770 1 8 . 1 1 98 98 TYR H H 98 8.110 8.110 8.066 0.044 19892 1771 1 8 . 1 1 99 99 LYS N N 99 122.511 122.511 124.367 -1.856 19892 1772 1 8 . 1 1 99 99 LYS H H 99 8.019 8.019 8.621 -0.602 19892 1773 1 8 . 1 1 102 102 THR N N 102 113.735 113.735 112.936 0.799 19892 1774 1 8 . 1 1 102 102 THR H H 102 8.167 8.167 8.278 -0.111 19892 1775 1 8 . 1 1 103 103 SER N N 103 119.198 119.198 118.460 0.738 19892 1776 1 8 . 1 1 103 103 SER H H 103 8.381 8.381 7.768 0.613 19892 1777 1 8 . 1 1 104 104 ASP N N 104 122.272 122.272 123.845 -1.573 19892 1778 1 8 . 1 1 104 104 ASP H H 104 8.203 8.203 8.324 -0.121 19892 1779 1 8 . 1 1 105 105 TYR N N 105 116.595 116.595 119.202 -2.607 19892 1780 1 8 . 1 1 105 105 TYR H H 105 8.636 8.636 8.223 0.413 19892 1781 1 8 . 1 1 106 106 GLY N N 106 108.162 108.162 106.189 1.973 19892 1782 1 8 . 1 1 106 106 GLY H H 106 9.253 9.253 8.423 0.830 19892 1783 1 8 . 1 1 107 107 PHE N N 107 121.007 121.007 117.608 3.399 19892 1784 1 8 . 1 1 107 107 PHE H H 107 8.777 8.777 7.974 0.803 19892 1785 1 8 . 1 1 109 109 TYR N N 109 117.796 117.796 120.772 -2.976 19892 1786 1 8 . 1 1 109 109 TYR H H 109 8.596 8.596 8.071 0.525 19892 1787 1 8 . 1 1 110 110 GLY N N 110 105.777 105.777 109.232 -3.455 19892 1788 1 8 . 1 1 110 110 GLY H H 110 9.008 9.008 7.835 1.173 19892 1789 1 8 . 1 1 111 111 ALA N N 111 118.846 118.846 119.579 -0.733 19892 1790 1 8 . 1 1 111 111 ALA H H 111 8.492 8.492 7.647 0.845 19892 1791 1 8 . 1 1 112 112 GLY N N 112 105.658 105.658 105.017 0.641 19892 1792 1 8 . 1 1 112 112 GLY H H 112 7.893 7.893 7.130 0.763 19892 1793 1 8 . 1 1 113 113 LEU N N 113 116.176 116.176 118.050 -1.874 19892 1794 1 8 . 1 1 113 113 LEU H H 113 9.009 9.009 8.104 0.905 19892 1795 1 8 . 1 1 114 114 GLN N N 114 115.313 115.313 118.865 -3.552 19892 1796 1 8 . 1 1 114 114 GLN H H 114 7.930 7.930 8.172 -0.242 19892 1797 1 8 . 1 1 116 116 ASN N N 116 119.872 119.872 118.117 1.755 19892 1798 1 8 . 1 1 116 116 ASN H H 116 9.498 9.498 8.881 0.617 19892 1799 1 8 . 1 1 118 118 MET N N 118 109.702 109.702 123.027 -13.325 19892 1800 1 8 . 1 1 118 118 MET H H 118 7.330 7.330 8.287 -0.957 19892 1801 1 8 . 1 1 119 119 GLU N N 119 120.422 120.422 120.537 -0.115 19892 1802 1 8 . 1 1 119 119 GLU H H 119 9.090 9.090 8.680 0.410 19892 1803 1 8 . 1 1 120 120 ASN N N 120 111.509 111.509 114.754 -3.245 19892 1804 1 8 . 1 1 120 120 ASN H H 120 8.385 8.385 8.181 0.204 19892 1805 1 8 . 1 1 121 121 VAL N N 121 117.347 117.347 120.501 -3.154 19892 1806 1 8 . 1 1 121 121 VAL H H 121 7.551 7.551 7.580 -0.029 19892 1807 1 8 . 1 1 122 122 ALA N N 122 126.585 126.585 125.850 0.735 19892 1808 1 8 . 1 1 122 122 ALA H H 122 8.209 8.209 7.628 0.581 19892 1809 1 8 . 1 1 123 123 LEU N N 123 120.129 120.129 122.845 -2.716 19892 1810 1 8 . 1 1 123 123 LEU H H 123 9.050 9.050 7.976 1.074 19892 1811 1 8 . 1 1 124 124 ASP N N 124 126.759 126.759 118.928 7.831 19892 1812 1 8 . 1 1 124 124 ASP H H 124 8.603 8.603 7.978 0.625 19892 1813 1 8 . 1 1 125 125 PHE N N 125 122.992 122.992 117.872 5.120 19892 1814 1 8 . 1 1 125 125 PHE H H 125 8.705 8.705 8.355 0.350 19892 1815 1 8 . 1 1 126 126 SER N N 126 118.579 118.579 116.167 2.412 19892 1816 1 8 . 1 1 126 126 SER H H 126 9.364 9.364 8.567 0.797 19892 1817 1 8 . 1 1 129 129 GLN N N 129 128.676 128.676 122.379 6.297 19892 1818 1 8 . 1 1 129 129 GLN H H 129 9.398 9.398 8.118 1.280 19892 1819 1 8 . 1 1 131 131 ARG N N 131 126.760 126.760 126.970 -0.210 19892 1820 1 8 . 1 1 131 131 ARG H H 131 7.826 7.826 8.402 -0.576 19892 1821 1 8 . 1 1 132 132 ILE N N 132 129.144 129.144 126.003 3.141 19892 1822 1 8 . 1 1 132 132 ILE H H 132 8.799 8.799 9.149 -0.350 19892 1823 1 8 . 1 1 133 133 ARG N N 133 127.114 127.114 119.532 7.582 19892 1824 1 8 . 1 1 133 133 ARG H H 133 9.414 9.414 8.777 0.637 19892 1825 1 8 . 1 1 135 135 VAL N N 135 124.503 124.503 122.722 1.781 19892 1826 1 8 . 1 1 135 135 VAL H H 135 8.307 8.307 7.112 1.195 19892 1827 1 8 . 1 1 136 136 ASP N N 136 127.436 127.436 127.632 -0.196 19892 1828 1 8 . 1 1 136 136 ASP H H 136 8.001 8.001 8.214 -0.213 19892 1829 1 8 . 1 1 137 137 VAL N N 137 123.910 123.910 126.153 -2.243 19892 1830 1 8 . 1 1 137 137 VAL H H 137 8.756 8.756 8.291 0.465 19892 1831 1 8 . 1 1 138 138 GLY N N 138 116.455 116.455 112.528 3.927 19892 1832 1 8 . 1 1 138 138 GLY H H 138 8.349 8.349 8.968 -0.619 19892 1833 1 8 . 1 1 139 139 THR N N 139 124.794 124.794 123.093 1.701 19892 1834 1 8 . 1 1 139 139 THR H H 139 8.727 8.727 8.469 0.258 19892 1835 1 8 . 1 1 141 141 ILE N N 141 124.275 124.275 114.711 9.564 19892 1836 1 8 . 1 1 141 141 ILE H H 141 9.099 9.099 8.126 0.973 19892 1837 1 8 . 1 1 142 142 ALA N N 142 127.355 127.355 124.212 3.143 19892 1838 1 8 . 1 1 142 142 ALA H H 142 8.499 8.499 7.941 0.558 19892 1839 1 8 . 1 1 143 143 GLY N N 143 108.725 108.725 107.604 1.121 19892 1840 1 8 . 1 1 143 143 GLY H H 143 9.570 9.570 7.754 1.816 19892 1841 1 8 . 1 1 144 144 VAL N N 144 114.300 114.300 115.814 -1.514 19892 1842 1 8 . 1 1 144 144 VAL H H 144 8.868 8.868 8.318 0.550 19892 1843 1 8 . 1 1 145 145 GLY N N 145 107.482 107.482 105.541 1.941 19892 1844 1 8 . 1 1 145 145 GLY H H 145 8.718 8.718 7.315 1.403 19892 1845 1 8 . 1 1 146 146 TYR N N 146 121.832 121.832 119.567 2.265 19892 1846 1 8 . 1 1 146 146 TYR H H 146 8.411 8.411 8.885 -0.474 19892 1847 1 8 . 1 1 147 147 ARG N N 147 130.069 130.069 123.236 6.833 19892 1848 1 8 . 1 1 147 147 ARG H H 147 7.621 7.621 8.641 -1.020 19892 1849 1 9 . 1 1 3 3 SER N N 3 123.587 123.587 115.898 7.689 19892 1850 1 9 . 1 1 3 3 SER H H 3 9.031 9.031 7.906 1.125 19892 1851 1 9 . 1 1 4 4 THR N N 4 116.754 116.754 119.151 -2.397 19892 1852 1 9 . 1 1 4 4 THR H H 4 8.556 8.556 7.765 0.791 19892 1853 1 9 . 1 1 5 5 VAL N N 5 128.336 128.336 125.363 2.973 19892 1854 1 9 . 1 1 5 5 VAL H H 5 8.817 8.817 8.783 0.034 19892 1855 1 9 . 1 1 6 6 THR N N 6 115.974 115.974 123.122 -7.148 19892 1856 1 9 . 1 1 6 6 THR H H 6 8.968 8.968 8.153 0.815 19892 1857 1 9 . 1 1 7 7 GLY N N 7 105.889 105.889 110.824 -4.935 19892 1858 1 9 . 1 1 7 7 GLY H H 7 8.766 8.766 8.058 0.708 19892 1859 1 9 . 1 1 8 8 GLY N N 8 105.854 105.854 106.751 -0.897 19892 1860 1 9 . 1 1 8 8 GLY H H 8 9.126 9.126 7.837 1.289 19892 1861 1 9 . 1 1 9 9 TYR N N 9 121.078 121.078 120.289 0.789 19892 1862 1 9 . 1 1 9 9 TYR H H 9 8.308 8.308 7.850 0.458 19892 1863 1 9 . 1 1 11 11 GLN N N 11 121.317 121.317 124.027 -2.710 19892 1864 1 9 . 1 1 11 11 GLN H H 11 8.262 8.262 8.081 0.181 19892 1865 1 9 . 1 1 12 12 SER N N 12 123.836 123.836 116.575 7.261 19892 1866 1 9 . 1 1 12 12 SER H H 12 9.194 9.194 7.930 1.264 19892 1867 1 9 . 1 1 13 13 ASP N N 13 124.275 124.275 125.811 -1.536 19892 1868 1 9 . 1 1 13 13 ASP H H 13 9.099 9.099 8.448 0.651 19892 1869 1 9 . 1 1 14 14 ALA N N 14 128.864 128.864 123.836 5.028 19892 1870 1 9 . 1 1 14 14 ALA H H 14 8.660 8.660 8.235 0.425 19892 1871 1 9 . 1 1 15 15 GLN H H 15 8.316 8.316 8.005 0.311 19892 1872 1 9 . 1 1 16 16 GLY N N 16 112.489 112.489 112.053 0.436 19892 1873 1 9 . 1 1 16 16 GLY H H 16 8.701 8.701 8.797 -0.096 19892 1874 1 9 . 1 1 17 17 GLN N N 17 119.022 119.022 119.121 -0.099 19892 1875 1 9 . 1 1 17 17 GLN H H 17 8.111 8.111 7.473 0.638 19892 1876 1 9 . 1 1 18 18 MET N N 18 120.328 120.328 119.756 0.572 19892 1877 1 9 . 1 1 18 18 MET H H 18 8.657 8.657 8.578 0.079 19892 1878 1 9 . 1 1 19 19 ASN N N 19 117.284 117.284 112.408 4.876 19892 1879 1 9 . 1 1 19 19 ASN H H 19 8.009 8.009 7.892 0.117 19892 1880 1 9 . 1 1 20 20 LYS N N 20 121.136 121.136 120.472 0.664 19892 1881 1 9 . 1 1 20 20 LYS H H 20 8.548 8.548 8.227 0.321 19892 1882 1 9 . 1 1 21 21 MET N N 21 119.903 119.903 119.354 0.549 19892 1883 1 9 . 1 1 21 21 MET H H 21 8.618 8.618 7.751 0.867 19892 1884 1 9 . 1 1 22 22 GLY N N 22 111.196 111.196 106.815 4.381 19892 1885 1 9 . 1 1 22 22 GLY H H 22 8.501 8.501 7.929 0.572 19892 1886 1 9 . 1 1 23 23 GLY N N 23 109.325 109.325 110.665 -1.340 19892 1887 1 9 . 1 1 23 23 GLY H H 23 8.092 8.092 8.172 -0.080 19892 1888 1 9 . 1 1 24 24 PHE N N 24 120.147 120.147 116.697 3.450 19892 1889 1 9 . 1 1 24 24 PHE H H 24 9.306 9.306 8.110 1.196 19892 1890 1 9 . 1 1 25 25 ASN N N 25 118.392 118.392 120.266 -1.874 19892 1891 1 9 . 1 1 25 25 ASN H H 25 8.516 8.516 8.301 0.215 19892 1892 1 9 . 1 1 26 26 LEU N N 26 125.392 125.392 126.248 -0.856 19892 1893 1 9 . 1 1 26 26 LEU H H 26 9.381 9.381 8.164 1.217 19892 1894 1 9 . 1 1 27 27 LYS N N 27 117.292 117.292 122.858 -5.566 19892 1895 1 9 . 1 1 27 27 LYS H H 27 8.886 8.886 8.757 0.129 19892 1896 1 9 . 1 1 28 28 TYR N N 28 120.230 120.230 123.984 -3.754 19892 1897 1 9 . 1 1 28 28 TYR H H 28 8.358 8.358 9.239 -0.881 19892 1898 1 9 . 1 1 29 29 ARG N N 29 129.080 129.080 129.456 -0.376 19892 1899 1 9 . 1 1 29 29 ARG H H 29 8.503 8.503 7.802 0.701 19892 1900 1 9 . 1 1 30 30 TYR N N 30 126.838 126.838 126.499 0.339 19892 1901 1 9 . 1 1 30 30 TYR H H 30 8.891 8.891 8.405 0.486 19892 1902 1 9 . 1 1 31 31 GLU N N 31 128.005 128.005 124.452 3.553 19892 1903 1 9 . 1 1 31 31 GLU H H 31 8.202 8.202 7.630 0.572 19892 1904 1 9 . 1 1 32 32 GLU N N 32 122.404 122.404 121.425 0.979 19892 1905 1 9 . 1 1 32 32 GLU H H 32 9.137 9.137 8.664 0.473 19892 1906 1 9 . 1 1 33 33 ASP N N 33 121.672 121.672 121.169 0.503 19892 1907 1 9 . 1 1 33 33 ASP H H 33 8.599 8.599 8.691 -0.092 19892 1908 1 9 . 1 1 35 35 SER N N 35 113.001 113.001 114.542 -1.541 19892 1909 1 9 . 1 1 35 35 SER H H 35 7.363 7.363 7.760 -0.397 19892 1910 1 9 . 1 1 37 37 LEU N N 37 123.171 123.171 121.840 1.331 19892 1911 1 9 . 1 1 37 37 LEU H H 37 8.027 8.027 7.883 0.144 19892 1912 1 9 . 1 1 38 38 GLY N N 38 115.826 115.826 113.534 2.292 19892 1913 1 9 . 1 1 38 38 GLY H H 38 9.050 9.050 7.903 1.147 19892 1914 1 9 . 1 1 39 39 VAL N N 39 117.450 117.450 123.832 -6.382 19892 1915 1 9 . 1 1 39 39 VAL H H 39 8.082 8.082 7.763 0.319 19892 1916 1 9 . 1 1 40 40 ILE N N 40 125.944 125.944 125.207 0.737 19892 1917 1 9 . 1 1 40 40 ILE H H 40 9.229 9.229 8.431 0.798 19892 1918 1 9 . 1 1 41 41 GLY N N 41 111.187 111.187 111.929 -0.742 19892 1919 1 9 . 1 1 41 41 GLY H H 41 9.112 9.112 9.102 0.010 19892 1920 1 9 . 1 1 42 42 SER N N 42 116.459 116.459 119.385 -2.926 19892 1921 1 9 . 1 1 42 42 SER H H 42 9.282 9.282 8.580 0.702 19892 1922 1 9 . 1 1 43 43 PHE N N 43 128.932 128.932 120.197 8.735 19892 1923 1 9 . 1 1 43 43 PHE H H 43 9.335 9.335 8.459 0.876 19892 1924 1 9 . 1 1 44 44 THR N N 44 126.670 126.670 118.035 8.635 19892 1925 1 9 . 1 1 44 44 THR H H 44 8.685 8.685 8.744 -0.059 19892 1926 1 9 . 1 1 45 45 TYR N N 45 125.515 125.515 127.902 -2.387 19892 1927 1 9 . 1 1 45 45 TYR H H 45 8.176 8.176 8.472 -0.296 19892 1928 1 9 . 1 1 46 46 THR N N 46 117.315 117.315 124.309 -6.994 19892 1929 1 9 . 1 1 46 46 THR H H 46 8.574 8.574 8.093 0.481 19892 1930 1 9 . 1 1 47 47 GLU N N 47 111.930 111.930 121.554 -9.624 19892 1931 1 9 . 1 1 47 47 GLU H H 47 8.338 8.338 8.095 0.243 19892 1932 1 9 . 1 1 49 49 SER N N 49 123.107 123.107 117.091 6.016 19892 1933 1 9 . 1 1 49 49 SER H H 49 8.611 8.611 8.419 0.192 19892 1934 1 9 . 1 1 52 52 ALA N N 52 127.376 127.376 129.422 -2.046 19892 1935 1 9 . 1 1 52 52 ALA H H 52 8.512 8.512 8.543 -0.031 19892 1936 1 9 . 1 1 55 55 GLY N N 55 110.790 110.790 109.680 1.110 19892 1937 1 9 . 1 1 55 55 GLY H H 55 8.245 8.245 8.518 -0.273 19892 1938 1 9 . 1 1 56 56 ASP N N 56 120.332 120.332 120.800 -0.468 19892 1939 1 9 . 1 1 56 56 ASP H H 56 7.848 7.848 7.187 0.661 19892 1940 1 9 . 1 1 57 57 TYR N N 57 121.702 121.702 122.924 -1.222 19892 1941 1 9 . 1 1 57 57 TYR H H 57 8.313 8.313 8.153 0.160 19892 1942 1 9 . 1 1 58 58 ASN N N 58 122.198 122.198 120.061 2.137 19892 1943 1 9 . 1 1 58 58 ASN H H 58 8.360 8.360 8.777 -0.417 19892 1944 1 9 . 1 1 59 59 LYS N N 59 121.010 121.010 114.811 6.199 19892 1945 1 9 . 1 1 59 59 LYS H H 59 8.276 8.276 8.329 -0.053 19892 1946 1 9 . 1 1 60 60 ASN N N 60 123.086 123.086 115.636 7.450 19892 1947 1 9 . 1 1 60 60 ASN H H 60 8.397 8.397 8.028 0.369 19892 1948 1 9 . 1 1 61 61 GLN N N 61 120.020 120.020 117.935 2.085 19892 1949 1 9 . 1 1 61 61 GLN H H 61 8.499 8.499 7.952 0.547 19892 1950 1 9 . 1 1 62 62 TYR N N 62 123.137 123.137 121.831 1.306 19892 1951 1 9 . 1 1 62 62 TYR H H 62 8.650 8.650 7.814 0.836 19892 1952 1 9 . 1 1 63 63 TYR N N 63 123.929 123.929 126.481 -2.552 19892 1953 1 9 . 1 1 63 63 TYR H H 63 8.381 8.381 7.854 0.527 19892 1954 1 9 . 1 1 64 64 GLY N N 64 106.738 106.738 109.936 -3.198 19892 1955 1 9 . 1 1 64 64 GLY H H 64 8.704 8.704 8.523 0.181 19892 1956 1 9 . 1 1 65 65 ILE N N 65 128.892 128.892 125.802 3.090 19892 1957 1 9 . 1 1 65 65 ILE H H 65 9.140 9.140 8.295 0.845 19892 1958 1 9 . 1 1 66 66 THR N N 66 115.392 115.392 119.894 -4.502 19892 1959 1 9 . 1 1 66 66 THR H H 66 9.025 9.025 7.959 1.066 19892 1960 1 9 . 1 1 67 67 ALA N N 67 118.885 118.885 124.962 -6.077 19892 1961 1 9 . 1 1 67 67 ALA H H 67 9.387 9.387 8.336 1.051 19892 1962 1 9 . 1 1 68 68 GLY N N 68 103.875 103.875 106.148 -2.273 19892 1963 1 9 . 1 1 68 68 GLY H H 68 9.016 9.016 7.803 1.213 19892 1964 1 9 . 1 1 70 70 ALA N N 70 120.214 120.214 119.371 0.843 19892 1965 1 9 . 1 1 70 70 ALA H H 70 7.875 7.875 7.706 0.169 19892 1966 1 9 . 1 1 71 71 TYR N N 71 125.130 125.130 119.315 5.815 19892 1967 1 9 . 1 1 71 71 TYR H H 71 9.786 9.786 9.137 0.649 19892 1968 1 9 . 1 1 72 72 ARG N N 72 131.150 131.150 123.151 7.999 19892 1969 1 9 . 1 1 72 72 ARG H H 72 8.860 8.860 8.838 0.022 19892 1970 1 9 . 1 1 73 73 ILE N N 73 129.066 129.066 127.321 1.745 19892 1971 1 9 . 1 1 73 73 ILE H H 73 8.475 8.475 7.993 0.482 19892 1972 1 9 . 1 1 77 77 ALA N N 77 124.611 124.611 121.441 3.170 19892 1973 1 9 . 1 1 77 77 ALA H H 77 7.817 7.817 8.556 -0.739 19892 1974 1 9 . 1 1 78 78 SER N N 78 112.605 112.605 117.765 -5.160 19892 1975 1 9 . 1 1 78 78 SER H H 78 8.195 8.195 7.865 0.330 19892 1976 1 9 . 1 1 79 79 ILE N N 79 119.871 119.871 122.122 -2.251 19892 1977 1 9 . 1 1 79 79 ILE H H 79 9.072 9.072 8.390 0.682 19892 1978 1 9 . 1 1 80 80 TYR N N 80 119.773 119.773 123.643 -3.870 19892 1979 1 9 . 1 1 80 80 TYR H H 80 8.439 8.439 8.129 0.310 19892 1980 1 9 . 1 1 81 81 GLY N N 81 105.795 105.795 106.337 -0.542 19892 1981 1 9 . 1 1 81 81 GLY H H 81 8.135 8.135 8.192 -0.057 19892 1982 1 9 . 1 1 82 82 VAL N N 82 111.057 111.057 115.270 -4.213 19892 1983 1 9 . 1 1 82 82 VAL H H 82 8.553 8.553 8.694 -0.141 19892 1984 1 9 . 1 1 83 83 VAL N N 83 113.157 113.157 117.515 -4.358 19892 1985 1 9 . 1 1 83 83 VAL H H 83 9.021 9.021 8.113 0.908 19892 1986 1 9 . 1 1 84 84 GLY N N 84 107.838 107.838 110.385 -2.547 19892 1987 1 9 . 1 1 84 84 GLY H H 84 8.593 8.593 7.217 1.376 19892 1988 1 9 . 1 1 85 85 VAL N N 85 122.494 122.494 121.822 0.672 19892 1989 1 9 . 1 1 85 85 VAL H H 85 8.977 8.977 7.770 1.207 19892 1990 1 9 . 1 1 86 86 GLY N N 86 113.663 113.663 113.711 -0.048 19892 1991 1 9 . 1 1 86 86 GLY H H 86 8.871 8.871 7.998 0.873 19892 1992 1 9 . 1 1 87 87 TYR N N 87 123.276 123.276 121.187 2.089 19892 1993 1 9 . 1 1 87 87 TYR H H 87 9.213 9.213 8.783 0.430 19892 1994 1 9 . 1 1 89 89 LYS N N 89 122.370 122.370 127.047 -4.677 19892 1995 1 9 . 1 1 89 89 LYS H H 89 8.130 8.130 7.834 0.296 19892 1996 1 9 . 1 1 91 91 GLN N N 91 121.297 121.297 121.546 -0.249 19892 1997 1 9 . 1 1 91 91 GLN H H 91 8.374 8.374 8.888 -0.514 19892 1998 1 9 . 1 1 95 95 TYR N N 95 123.254 123.254 122.828 0.426 19892 1999 1 9 . 1 1 95 95 TYR H H 95 8.263 8.263 8.816 -0.553 19892 2000 1 9 . 1 1 98 98 TYR N N 98 122.383 122.383 119.079 3.304 19892 2001 1 9 . 1 1 98 98 TYR H H 98 8.110 8.110 7.505 0.605 19892 2002 1 9 . 1 1 99 99 LYS N N 99 122.511 122.511 120.718 1.793 19892 2003 1 9 . 1 1 99 99 LYS H H 99 8.019 8.019 8.780 -0.761 19892 2004 1 9 . 1 1 102 102 THR N N 102 113.735 113.735 117.145 -3.410 19892 2005 1 9 . 1 1 102 102 THR H H 102 8.167 8.167 8.492 -0.325 19892 2006 1 9 . 1 1 103 103 SER N N 103 119.198 119.198 119.262 -0.064 19892 2007 1 9 . 1 1 103 103 SER H H 103 8.381 8.381 8.510 -0.129 19892 2008 1 9 . 1 1 104 104 ASP N N 104 122.272 122.272 122.190 0.082 19892 2009 1 9 . 1 1 104 104 ASP H H 104 8.203 8.203 8.359 -0.156 19892 2010 1 9 . 1 1 105 105 TYR N N 105 116.595 116.595 118.910 -2.315 19892 2011 1 9 . 1 1 105 105 TYR H H 105 8.636 8.636 8.163 0.473 19892 2012 1 9 . 1 1 106 106 GLY N N 106 108.162 108.162 105.910 2.252 19892 2013 1 9 . 1 1 106 106 GLY H H 106 9.253 9.253 7.765 1.488 19892 2014 1 9 . 1 1 107 107 PHE N N 107 121.007 121.007 120.151 0.856 19892 2015 1 9 . 1 1 107 107 PHE H H 107 8.777 8.777 7.979 0.798 19892 2016 1 9 . 1 1 109 109 TYR N N 109 117.796 117.796 123.192 -5.396 19892 2017 1 9 . 1 1 109 109 TYR H H 109 8.596 8.596 8.191 0.405 19892 2018 1 9 . 1 1 110 110 GLY N N 110 105.777 105.777 109.497 -3.720 19892 2019 1 9 . 1 1 110 110 GLY H H 110 9.008 9.008 7.406 1.602 19892 2020 1 9 . 1 1 111 111 ALA N N 111 118.846 118.846 119.821 -0.975 19892 2021 1 9 . 1 1 111 111 ALA H H 111 8.492 8.492 7.788 0.704 19892 2022 1 9 . 1 1 112 112 GLY N N 112 105.658 105.658 105.314 0.344 19892 2023 1 9 . 1 1 112 112 GLY H H 112 7.893 7.893 7.146 0.747 19892 2024 1 9 . 1 1 113 113 LEU N N 113 116.176 116.176 119.443 -3.267 19892 2025 1 9 . 1 1 113 113 LEU H H 113 9.009 9.009 9.033 -0.024 19892 2026 1 9 . 1 1 114 114 GLN N N 114 115.313 115.313 120.892 -5.579 19892 2027 1 9 . 1 1 114 114 GLN H H 114 7.930 7.930 8.304 -0.374 19892 2028 1 9 . 1 1 116 116 ASN N N 116 119.872 119.872 117.325 2.547 19892 2029 1 9 . 1 1 116 116 ASN H H 116 9.498 9.498 8.426 1.072 19892 2030 1 9 . 1 1 118 118 MET N N 118 109.702 109.702 118.088 -8.386 19892 2031 1 9 . 1 1 118 118 MET H H 118 7.330 7.330 6.806 0.524 19892 2032 1 9 . 1 1 119 119 GLU N N 119 120.422 120.422 122.772 -2.350 19892 2033 1 9 . 1 1 119 119 GLU H H 119 9.090 9.090 9.049 0.041 19892 2034 1 9 . 1 1 120 120 ASN N N 120 111.509 111.509 113.659 -2.150 19892 2035 1 9 . 1 1 120 120 ASN H H 120 8.385 8.385 8.575 -0.190 19892 2036 1 9 . 1 1 121 121 VAL N N 121 117.347 117.347 119.323 -1.976 19892 2037 1 9 . 1 1 121 121 VAL H H 121 7.551 7.551 7.170 0.381 19892 2038 1 9 . 1 1 122 122 ALA N N 122 126.585 126.585 127.023 -0.438 19892 2039 1 9 . 1 1 122 122 ALA H H 122 8.209 8.209 7.650 0.559 19892 2040 1 9 . 1 1 123 123 LEU N N 123 120.129 120.129 121.738 -1.609 19892 2041 1 9 . 1 1 123 123 LEU H H 123 9.050 9.050 7.728 1.322 19892 2042 1 9 . 1 1 124 124 ASP N N 124 126.759 126.759 119.796 6.963 19892 2043 1 9 . 1 1 124 124 ASP H H 124 8.603 8.603 8.082 0.521 19892 2044 1 9 . 1 1 125 125 PHE N N 125 122.992 122.992 126.431 -3.439 19892 2045 1 9 . 1 1 125 125 PHE H H 125 8.705 8.705 9.223 -0.518 19892 2046 1 9 . 1 1 126 126 SER N N 126 118.579 118.579 117.732 0.847 19892 2047 1 9 . 1 1 126 126 SER H H 126 9.364 9.364 7.488 1.876 19892 2048 1 9 . 1 1 129 129 GLN N N 129 128.676 128.676 123.433 5.243 19892 2049 1 9 . 1 1 129 129 GLN H H 129 9.398 9.398 8.345 1.053 19892 2050 1 9 . 1 1 131 131 ARG N N 131 126.760 126.760 125.583 1.177 19892 2051 1 9 . 1 1 131 131 ARG H H 131 7.826 7.826 8.195 -0.369 19892 2052 1 9 . 1 1 132 132 ILE N N 132 129.144 129.144 118.666 10.478 19892 2053 1 9 . 1 1 132 132 ILE H H 132 8.799 8.799 9.080 -0.281 19892 2054 1 9 . 1 1 133 133 ARG N N 133 127.114 127.114 120.526 6.588 19892 2055 1 9 . 1 1 133 133 ARG H H 133 9.414 9.414 8.755 0.659 19892 2056 1 9 . 1 1 135 135 VAL N N 135 124.503 124.503 121.023 3.480 19892 2057 1 9 . 1 1 135 135 VAL H H 135 8.307 8.307 7.103 1.204 19892 2058 1 9 . 1 1 136 136 ASP N N 136 127.436 127.436 127.036 0.400 19892 2059 1 9 . 1 1 136 136 ASP H H 136 8.001 8.001 8.117 -0.116 19892 2060 1 9 . 1 1 137 137 VAL N N 137 123.910 123.910 119.453 4.457 19892 2061 1 9 . 1 1 137 137 VAL H H 137 8.756 8.756 8.545 0.211 19892 2062 1 9 . 1 1 138 138 GLY N N 138 116.455 116.455 109.594 6.861 19892 2063 1 9 . 1 1 138 138 GLY H H 138 8.349 8.349 7.939 0.410 19892 2064 1 9 . 1 1 139 139 THR N N 139 124.794 124.794 119.073 5.721 19892 2065 1 9 . 1 1 139 139 THR H H 139 8.727 8.727 9.022 -0.295 19892 2066 1 9 . 1 1 141 141 ILE N N 141 124.275 124.275 114.487 9.788 19892 2067 1 9 . 1 1 141 141 ILE H H 141 9.099 9.099 7.644 1.455 19892 2068 1 9 . 1 1 142 142 ALA N N 142 127.355 127.355 123.706 3.649 19892 2069 1 9 . 1 1 142 142 ALA H H 142 8.499 8.499 7.910 0.589 19892 2070 1 9 . 1 1 143 143 GLY N N 143 108.725 108.725 108.039 0.686 19892 2071 1 9 . 1 1 143 143 GLY H H 143 9.570 9.570 7.937 1.633 19892 2072 1 9 . 1 1 144 144 VAL N N 144 114.300 114.300 116.414 -2.114 19892 2073 1 9 . 1 1 144 144 VAL H H 144 8.868 8.868 8.476 0.392 19892 2074 1 9 . 1 1 145 145 GLY N N 145 107.482 107.482 105.433 2.049 19892 2075 1 9 . 1 1 145 145 GLY H H 145 8.718 8.718 7.239 1.479 19892 2076 1 9 . 1 1 146 146 TYR N N 146 121.832 121.832 119.850 1.982 19892 2077 1 9 . 1 1 146 146 TYR H H 146 8.411 8.411 9.093 -0.682 19892 2078 1 9 . 1 1 147 147 ARG N N 147 130.069 130.069 120.777 9.292 19892 2079 1 9 . 1 1 147 147 ARG H H 147 7.621 7.621 8.633 -1.012 19892 2080 1 10 . 1 1 3 3 SER N N 3 123.587 123.587 118.874 4.713 19892 2081 1 10 . 1 1 3 3 SER H H 3 9.031 9.031 8.568 0.463 19892 2082 1 10 . 1 1 4 4 THR N N 4 116.754 116.754 119.234 -2.480 19892 2083 1 10 . 1 1 4 4 THR H H 4 8.556 8.556 7.989 0.567 19892 2084 1 10 . 1 1 5 5 VAL N N 5 128.336 128.336 126.440 1.896 19892 2085 1 10 . 1 1 5 5 VAL H H 5 8.817 8.817 8.718 0.099 19892 2086 1 10 . 1 1 6 6 THR N N 6 115.974 115.974 122.141 -6.167 19892 2087 1 10 . 1 1 6 6 THR H H 6 8.968 8.968 7.931 1.037 19892 2088 1 10 . 1 1 7 7 GLY N N 7 105.889 105.889 110.615 -4.726 19892 2089 1 10 . 1 1 7 7 GLY H H 7 8.766 8.766 7.943 0.823 19892 2090 1 10 . 1 1 8 8 GLY N N 8 105.854 105.854 106.481 -0.627 19892 2091 1 10 . 1 1 8 8 GLY H H 8 9.126 9.126 7.837 1.289 19892 2092 1 10 . 1 1 9 9 TYR N N 9 121.078 121.078 117.062 4.016 19892 2093 1 10 . 1 1 9 9 TYR H H 9 8.308 8.308 7.610 0.698 19892 2094 1 10 . 1 1 11 11 GLN N N 11 121.317 121.317 121.153 0.164 19892 2095 1 10 . 1 1 11 11 GLN H H 11 8.262 8.262 8.462 -0.200 19892 2096 1 10 . 1 1 12 12 SER N N 12 123.836 123.836 118.277 5.559 19892 2097 1 10 . 1 1 12 12 SER H H 12 9.194 9.194 8.430 0.764 19892 2098 1 10 . 1 1 13 13 ASP N N 13 124.275 124.275 121.898 2.377 19892 2099 1 10 . 1 1 13 13 ASP H H 13 9.099 9.099 8.001 1.098 19892 2100 1 10 . 1 1 14 14 ALA N N 14 128.864 128.864 125.069 3.795 19892 2101 1 10 . 1 1 14 14 ALA H H 14 8.660 8.660 8.468 0.192 19892 2102 1 10 . 1 1 15 15 GLN H H 15 8.316 8.316 8.288 0.028 19892 2103 1 10 . 1 1 16 16 GLY N N 16 112.489 112.489 113.970 -1.481 19892 2104 1 10 . 1 1 16 16 GLY H H 16 8.701 8.701 8.844 -0.143 19892 2105 1 10 . 1 1 17 17 GLN N N 17 119.022 119.022 120.010 -0.988 19892 2106 1 10 . 1 1 17 17 GLN H H 17 8.111 8.111 7.711 0.400 19892 2107 1 10 . 1 1 18 18 MET N N 18 120.328 120.328 119.424 0.904 19892 2108 1 10 . 1 1 18 18 MET H H 18 8.657 8.657 8.377 0.280 19892 2109 1 10 . 1 1 19 19 ASN N N 19 117.284 117.284 118.116 -0.832 19892 2110 1 10 . 1 1 19 19 ASN H H 19 8.009 8.009 8.372 -0.363 19892 2111 1 10 . 1 1 20 20 LYS N N 20 121.136 121.136 121.246 -0.110 19892 2112 1 10 . 1 1 20 20 LYS H H 20 8.548 8.548 8.254 0.294 19892 2113 1 10 . 1 1 21 21 MET N N 21 119.903 119.903 117.127 2.776 19892 2114 1 10 . 1 1 21 21 MET H H 21 8.618 8.618 7.813 0.805 19892 2115 1 10 . 1 1 22 22 GLY N N 22 111.196 111.196 107.136 4.060 19892 2116 1 10 . 1 1 22 22 GLY H H 22 8.501 8.501 7.987 0.514 19892 2117 1 10 . 1 1 23 23 GLY N N 23 109.325 109.325 110.929 -1.604 19892 2118 1 10 . 1 1 23 23 GLY H H 23 8.092 8.092 7.718 0.374 19892 2119 1 10 . 1 1 24 24 PHE N N 24 120.147 120.147 115.954 4.193 19892 2120 1 10 . 1 1 24 24 PHE H H 24 9.306 9.306 8.318 0.988 19892 2121 1 10 . 1 1 25 25 ASN N N 25 118.392 118.392 119.896 -1.504 19892 2122 1 10 . 1 1 25 25 ASN H H 25 8.516 8.516 8.573 -0.057 19892 2123 1 10 . 1 1 26 26 LEU N N 26 125.392 125.392 124.631 0.761 19892 2124 1 10 . 1 1 26 26 LEU H H 26 9.381 9.381 9.297 0.084 19892 2125 1 10 . 1 1 27 27 LYS N N 27 117.292 117.292 118.878 -1.586 19892 2126 1 10 . 1 1 27 27 LYS H H 27 8.886 8.886 7.994 0.892 19892 2127 1 10 . 1 1 28 28 TYR N N 28 120.230 120.230 121.012 -0.782 19892 2128 1 10 . 1 1 28 28 TYR H H 28 8.358 8.358 8.776 -0.418 19892 2129 1 10 . 1 1 29 29 ARG N N 29 129.080 129.080 122.609 6.471 19892 2130 1 10 . 1 1 29 29 ARG H H 29 8.503 8.503 7.950 0.553 19892 2131 1 10 . 1 1 30 30 TYR N N 30 126.838 126.838 123.623 3.215 19892 2132 1 10 . 1 1 30 30 TYR H H 30 8.891 8.891 9.003 -0.112 19892 2133 1 10 . 1 1 31 31 GLU N N 31 128.005 128.005 122.222 5.783 19892 2134 1 10 . 1 1 31 31 GLU H H 31 8.202 8.202 8.807 -0.605 19892 2135 1 10 . 1 1 32 32 GLU N N 32 122.404 122.404 125.578 -3.174 19892 2136 1 10 . 1 1 32 32 GLU H H 32 9.137 9.137 8.800 0.337 19892 2137 1 10 . 1 1 33 33 ASP N N 33 121.672 121.672 126.272 -4.600 19892 2138 1 10 . 1 1 33 33 ASP H H 33 8.599 8.599 8.902 -0.303 19892 2139 1 10 . 1 1 35 35 SER N N 35 113.001 113.001 114.094 -1.093 19892 2140 1 10 . 1 1 35 35 SER H H 35 7.363 7.363 7.863 -0.500 19892 2141 1 10 . 1 1 37 37 LEU N N 37 123.171 123.171 121.668 1.503 19892 2142 1 10 . 1 1 37 37 LEU H H 37 8.027 8.027 7.906 0.121 19892 2143 1 10 . 1 1 38 38 GLY N N 38 115.826 115.826 113.508 2.318 19892 2144 1 10 . 1 1 38 38 GLY H H 38 9.050 9.050 7.892 1.158 19892 2145 1 10 . 1 1 39 39 VAL N N 39 117.450 117.450 113.603 3.847 19892 2146 1 10 . 1 1 39 39 VAL H H 39 8.082 8.082 8.415 -0.333 19892 2147 1 10 . 1 1 40 40 ILE N N 40 125.944 125.944 122.787 3.157 19892 2148 1 10 . 1 1 40 40 ILE H H 40 9.229 9.229 8.848 0.381 19892 2149 1 10 . 1 1 41 41 GLY N N 41 111.187 111.187 112.922 -1.735 19892 2150 1 10 . 1 1 41 41 GLY H H 41 9.112 9.112 9.008 0.104 19892 2151 1 10 . 1 1 42 42 SER N N 42 116.459 116.459 117.109 -0.650 19892 2152 1 10 . 1 1 42 42 SER H H 42 9.282 9.282 8.896 0.386 19892 2153 1 10 . 1 1 43 43 PHE N N 43 128.932 128.932 126.286 2.646 19892 2154 1 10 . 1 1 43 43 PHE H H 43 9.335 9.335 9.545 -0.210 19892 2155 1 10 . 1 1 44 44 THR N N 44 126.670 126.670 122.038 4.632 19892 2156 1 10 . 1 1 44 44 THR H H 44 8.685 8.685 8.173 0.512 19892 2157 1 10 . 1 1 45 45 TYR N N 45 125.515 125.515 128.157 -2.642 19892 2158 1 10 . 1 1 45 45 TYR H H 45 8.176 8.176 8.652 -0.476 19892 2159 1 10 . 1 1 46 46 THR N N 46 117.315 117.315 118.437 -1.122 19892 2160 1 10 . 1 1 46 46 THR H H 46 8.574 8.574 7.762 0.812 19892 2161 1 10 . 1 1 47 47 GLU N N 47 111.930 111.930 119.270 -7.340 19892 2162 1 10 . 1 1 47 47 GLU H H 47 8.338 8.338 7.906 0.432 19892 2163 1 10 . 1 1 49 49 SER N N 49 123.107 123.107 117.120 5.987 19892 2164 1 10 . 1 1 49 49 SER H H 49 8.611 8.611 8.444 0.167 19892 2165 1 10 . 1 1 52 52 ALA N N 52 127.376 127.376 129.105 -1.729 19892 2166 1 10 . 1 1 52 52 ALA H H 52 8.512 8.512 8.232 0.280 19892 2167 1 10 . 1 1 55 55 GLY N N 55 110.790 110.790 107.124 3.666 19892 2168 1 10 . 1 1 55 55 GLY H H 55 8.245 8.245 7.803 0.442 19892 2169 1 10 . 1 1 56 56 ASP N N 56 120.332 120.332 121.118 -0.786 19892 2170 1 10 . 1 1 56 56 ASP H H 56 7.848 7.848 8.536 -0.688 19892 2171 1 10 . 1 1 57 57 TYR N N 57 121.702 121.702 121.447 0.255 19892 2172 1 10 . 1 1 57 57 TYR H H 57 8.313 8.313 8.548 -0.235 19892 2173 1 10 . 1 1 58 58 ASN N N 58 122.198 122.198 117.510 4.688 19892 2174 1 10 . 1 1 58 58 ASN H H 58 8.360 8.360 7.114 1.246 19892 2175 1 10 . 1 1 59 59 LYS N N 59 121.010 121.010 119.817 1.193 19892 2176 1 10 . 1 1 59 59 LYS H H 59 8.276 8.276 8.315 -0.039 19892 2177 1 10 . 1 1 60 60 ASN N N 60 123.086 123.086 124.144 -1.058 19892 2178 1 10 . 1 1 60 60 ASN H H 60 8.397 8.397 8.612 -0.215 19892 2179 1 10 . 1 1 61 61 GLN N N 61 120.020 120.020 119.390 0.630 19892 2180 1 10 . 1 1 61 61 GLN H H 61 8.499 8.499 8.308 0.191 19892 2181 1 10 . 1 1 62 62 TYR N N 62 123.137 123.137 124.516 -1.379 19892 2182 1 10 . 1 1 62 62 TYR H H 62 8.650 8.650 7.668 0.982 19892 2183 1 10 . 1 1 63 63 TYR N N 63 123.929 123.929 127.029 -3.100 19892 2184 1 10 . 1 1 63 63 TYR H H 63 8.381 8.381 7.970 0.411 19892 2185 1 10 . 1 1 64 64 GLY N N 64 106.738 106.738 110.361 -3.623 19892 2186 1 10 . 1 1 64 64 GLY H H 64 8.704 8.704 8.073 0.631 19892 2187 1 10 . 1 1 65 65 ILE N N 65 128.892 128.892 125.793 3.099 19892 2188 1 10 . 1 1 65 65 ILE H H 65 9.140 9.140 8.261 0.879 19892 2189 1 10 . 1 1 66 66 THR N N 66 115.392 115.392 120.922 -5.530 19892 2190 1 10 . 1 1 66 66 THR H H 66 9.025 9.025 8.717 0.308 19892 2191 1 10 . 1 1 67 67 ALA N N 67 118.885 118.885 124.417 -5.532 19892 2192 1 10 . 1 1 67 67 ALA H H 67 9.387 9.387 9.030 0.357 19892 2193 1 10 . 1 1 68 68 GLY N N 68 103.875 103.875 106.586 -2.711 19892 2194 1 10 . 1 1 68 68 GLY H H 68 9.016 9.016 8.274 0.742 19892 2195 1 10 . 1 1 70 70 ALA N N 70 120.214 120.214 118.554 1.660 19892 2196 1 10 . 1 1 70 70 ALA H H 70 7.875 7.875 7.418 0.457 19892 2197 1 10 . 1 1 71 71 TYR N N 71 125.130 125.130 120.095 5.035 19892 2198 1 10 . 1 1 71 71 TYR H H 71 9.786 9.786 8.775 1.011 19892 2199 1 10 . 1 1 72 72 ARG N N 72 131.150 131.150 123.746 7.404 19892 2200 1 10 . 1 1 72 72 ARG H H 72 8.860 8.860 8.765 0.095 19892 2201 1 10 . 1 1 73 73 ILE N N 73 129.066 129.066 125.039 4.027 19892 2202 1 10 . 1 1 73 73 ILE H H 73 8.475 8.475 8.735 -0.260 19892 2203 1 10 . 1 1 77 77 ALA N N 77 124.611 124.611 118.131 6.480 19892 2204 1 10 . 1 1 77 77 ALA H H 77 7.817 7.817 7.829 -0.012 19892 2205 1 10 . 1 1 78 78 SER N N 78 112.605 112.605 115.499 -2.894 19892 2206 1 10 . 1 1 78 78 SER H H 78 8.195 8.195 8.530 -0.335 19892 2207 1 10 . 1 1 79 79 ILE N N 79 119.871 119.871 125.289 -5.418 19892 2208 1 10 . 1 1 79 79 ILE H H 79 9.072 9.072 8.030 1.042 19892 2209 1 10 . 1 1 80 80 TYR N N 80 119.773 119.773 124.500 -4.727 19892 2210 1 10 . 1 1 80 80 TYR H H 80 8.439 8.439 8.003 0.436 19892 2211 1 10 . 1 1 81 81 GLY N N 81 105.795 105.795 107.865 -2.070 19892 2212 1 10 . 1 1 81 81 GLY H H 81 8.135 8.135 8.006 0.129 19892 2213 1 10 . 1 1 82 82 VAL N N 82 111.057 111.057 119.319 -8.262 19892 2214 1 10 . 1 1 82 82 VAL H H 82 8.553 8.553 8.230 0.323 19892 2215 1 10 . 1 1 83 83 VAL N N 83 113.157 113.157 124.766 -11.609 19892 2216 1 10 . 1 1 83 83 VAL H H 83 9.021 9.021 8.008 1.013 19892 2217 1 10 . 1 1 84 84 GLY N N 84 107.838 107.838 110.850 -3.012 19892 2218 1 10 . 1 1 84 84 GLY H H 84 8.593 8.593 7.619 0.974 19892 2219 1 10 . 1 1 85 85 VAL N N 85 122.494 122.494 113.525 8.969 19892 2220 1 10 . 1 1 85 85 VAL H H 85 8.977 8.977 8.515 0.462 19892 2221 1 10 . 1 1 86 86 GLY N N 86 113.663 113.663 105.533 8.130 19892 2222 1 10 . 1 1 86 86 GLY H H 86 8.871 8.871 7.443 1.428 19892 2223 1 10 . 1 1 87 87 TYR N N 87 123.276 123.276 120.133 3.143 19892 2224 1 10 . 1 1 87 87 TYR H H 87 9.213 9.213 8.644 0.569 19892 2225 1 10 . 1 1 89 89 LYS N N 89 122.370 122.370 126.465 -4.095 19892 2226 1 10 . 1 1 89 89 LYS H H 89 8.130 8.130 7.855 0.275 19892 2227 1 10 . 1 1 91 91 GLN N N 91 121.297 121.297 119.551 1.746 19892 2228 1 10 . 1 1 91 91 GLN H H 91 8.374 8.374 8.704 -0.330 19892 2229 1 10 . 1 1 95 95 TYR N N 95 123.254 123.254 122.448 0.806 19892 2230 1 10 . 1 1 95 95 TYR H H 95 8.263 8.263 8.528 -0.265 19892 2231 1 10 . 1 1 98 98 TYR N N 98 122.383 122.383 120.405 1.978 19892 2232 1 10 . 1 1 98 98 TYR H H 98 8.110 8.110 7.799 0.311 19892 2233 1 10 . 1 1 99 99 LYS N N 99 122.511 122.511 125.979 -3.468 19892 2234 1 10 . 1 1 99 99 LYS H H 99 8.019 8.019 8.260 -0.241 19892 2235 1 10 . 1 1 102 102 THR N N 102 113.735 113.735 110.686 3.049 19892 2236 1 10 . 1 1 102 102 THR H H 102 8.167 8.167 7.847 0.320 19892 2237 1 10 . 1 1 103 103 SER N N 103 119.198 119.198 118.777 0.421 19892 2238 1 10 . 1 1 103 103 SER H H 103 8.381 8.381 8.479 -0.098 19892 2239 1 10 . 1 1 104 104 ASP N N 104 122.272 122.272 123.782 -1.510 19892 2240 1 10 . 1 1 104 104 ASP H H 104 8.203 8.203 8.566 -0.363 19892 2241 1 10 . 1 1 105 105 TYR N N 105 116.595 116.595 125.954 -9.359 19892 2242 1 10 . 1 1 105 105 TYR H H 105 8.636 8.636 8.782 -0.146 19892 2243 1 10 . 1 1 106 106 GLY N N 106 108.162 108.162 113.627 -5.465 19892 2244 1 10 . 1 1 106 106 GLY H H 106 9.253 9.253 7.828 1.425 19892 2245 1 10 . 1 1 107 107 PHE N N 107 121.007 121.007 118.021 2.986 19892 2246 1 10 . 1 1 107 107 PHE H H 107 8.777 8.777 7.618 1.159 19892 2247 1 10 . 1 1 109 109 TYR N N 109 117.796 117.796 123.520 -5.724 19892 2248 1 10 . 1 1 109 109 TYR H H 109 8.596 8.596 7.938 0.658 19892 2249 1 10 . 1 1 110 110 GLY N N 110 105.777 105.777 110.192 -4.415 19892 2250 1 10 . 1 1 110 110 GLY H H 110 9.008 9.008 7.663 1.345 19892 2251 1 10 . 1 1 111 111 ALA N N 111 118.846 118.846 119.443 -0.597 19892 2252 1 10 . 1 1 111 111 ALA H H 111 8.492 8.492 7.619 0.873 19892 2253 1 10 . 1 1 112 112 GLY N N 112 105.658 105.658 104.935 0.723 19892 2254 1 10 . 1 1 112 112 GLY H H 112 7.893 7.893 7.140 0.753 19892 2255 1 10 . 1 1 113 113 LEU N N 113 116.176 116.176 114.797 1.379 19892 2256 1 10 . 1 1 113 113 LEU H H 113 9.009 9.009 7.845 1.164 19892 2257 1 10 . 1 1 114 114 GLN N N 114 115.313 115.313 117.141 -1.828 19892 2258 1 10 . 1 1 114 114 GLN H H 114 7.930 7.930 8.442 -0.512 19892 2259 1 10 . 1 1 116 116 ASN N N 116 119.872 119.872 124.950 -5.078 19892 2260 1 10 . 1 1 116 116 ASN H H 116 9.498 9.498 8.016 1.482 19892 2261 1 10 . 1 1 118 118 MET N N 118 109.702 109.702 119.138 -9.436 19892 2262 1 10 . 1 1 118 118 MET H H 118 7.330 7.330 8.184 -0.854 19892 2263 1 10 . 1 1 119 119 GLU N N 119 120.422 120.422 123.207 -2.785 19892 2264 1 10 . 1 1 119 119 GLU H H 119 9.090 9.090 8.920 0.170 19892 2265 1 10 . 1 1 120 120 ASN N N 120 111.509 111.509 114.418 -2.909 19892 2266 1 10 . 1 1 120 120 ASN H H 120 8.385 8.385 8.212 0.173 19892 2267 1 10 . 1 1 121 121 VAL N N 121 117.347 117.347 115.071 2.276 19892 2268 1 10 . 1 1 121 121 VAL H H 121 7.551 7.551 7.497 0.054 19892 2269 1 10 . 1 1 122 122 ALA N N 122 126.585 126.585 121.708 4.877 19892 2270 1 10 . 1 1 122 122 ALA H H 122 8.209 8.209 7.787 0.422 19892 2271 1 10 . 1 1 123 123 LEU N N 123 120.129 120.129 124.497 -4.368 19892 2272 1 10 . 1 1 123 123 LEU H H 123 9.050 9.050 8.010 1.040 19892 2273 1 10 . 1 1 124 124 ASP N N 124 126.759 126.759 123.813 2.946 19892 2274 1 10 . 1 1 124 124 ASP H H 124 8.603 8.603 7.938 0.665 19892 2275 1 10 . 1 1 125 125 PHE N N 125 122.992 122.992 117.557 5.435 19892 2276 1 10 . 1 1 125 125 PHE H H 125 8.705 8.705 8.071 0.634 19892 2277 1 10 . 1 1 126 126 SER N N 126 118.579 118.579 116.479 2.100 19892 2278 1 10 . 1 1 126 126 SER H H 126 9.364 9.364 8.489 0.875 19892 2279 1 10 . 1 1 129 129 GLN N N 129 128.676 128.676 121.673 7.003 19892 2280 1 10 . 1 1 129 129 GLN H H 129 9.398 9.398 8.066 1.332 19892 2281 1 10 . 1 1 131 131 ARG N N 131 126.760 126.760 121.176 5.584 19892 2282 1 10 . 1 1 131 131 ARG H H 131 7.826 7.826 8.271 -0.445 19892 2283 1 10 . 1 1 132 132 ILE N N 132 129.144 129.144 124.418 4.726 19892 2284 1 10 . 1 1 132 132 ILE H H 132 8.799 8.799 8.235 0.564 19892 2285 1 10 . 1 1 133 133 ARG N N 133 127.114 127.114 125.933 1.181 19892 2286 1 10 . 1 1 133 133 ARG H H 133 9.414 9.414 9.084 0.330 19892 2287 1 10 . 1 1 135 135 VAL N N 135 124.503 124.503 122.254 2.249 19892 2288 1 10 . 1 1 135 135 VAL H H 135 8.307 8.307 7.408 0.899 19892 2289 1 10 . 1 1 136 136 ASP N N 136 127.436 127.436 126.860 0.576 19892 2290 1 10 . 1 1 136 136 ASP H H 136 8.001 8.001 8.077 -0.076 19892 2291 1 10 . 1 1 137 137 VAL N N 137 123.910 123.910 125.035 -1.125 19892 2292 1 10 . 1 1 137 137 VAL H H 137 8.756 8.756 8.842 -0.086 19892 2293 1 10 . 1 1 138 138 GLY N N 138 116.455 116.455 112.812 3.643 19892 2294 1 10 . 1 1 138 138 GLY H H 138 8.349 8.349 9.181 -0.832 19892 2295 1 10 . 1 1 139 139 THR N N 139 124.794 124.794 122.496 2.298 19892 2296 1 10 . 1 1 139 139 THR H H 139 8.727 8.727 7.373 1.354 19892 2297 1 10 . 1 1 141 141 ILE N N 141 124.275 124.275 115.231 9.044 19892 2298 1 10 . 1 1 141 141 ILE H H 141 9.099 9.099 8.077 1.022 19892 2299 1 10 . 1 1 142 142 ALA N N 142 127.355 127.355 123.401 3.954 19892 2300 1 10 . 1 1 142 142 ALA H H 142 8.499 8.499 7.637 0.862 19892 2301 1 10 . 1 1 143 143 GLY N N 143 108.725 108.725 107.922 0.803 19892 2302 1 10 . 1 1 143 143 GLY H H 143 9.570 9.570 7.720 1.850 19892 2303 1 10 . 1 1 144 144 VAL N N 144 114.300 114.300 115.056 -0.756 19892 2304 1 10 . 1 1 144 144 VAL H H 144 8.868 8.868 8.284 0.584 19892 2305 1 10 . 1 1 145 145 GLY N N 145 107.482 107.482 105.846 1.636 19892 2306 1 10 . 1 1 145 145 GLY H H 145 8.718 8.718 7.335 1.383 19892 2307 1 10 . 1 1 146 146 TYR N N 146 121.832 121.832 120.160 1.672 19892 2308 1 10 . 1 1 146 146 TYR H H 146 8.411 8.411 9.063 -0.652 19892 2309 1 10 . 1 1 147 147 ARG N N 147 130.069 130.069 123.259 6.810 19892 2310 1 10 . 1 1 147 147 ARG H H 147 7.621 7.621 8.529 -0.908 19892 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 115 4.284 -0.230 4.297 19892 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19892 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19892 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19892 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19892 6 1 1 "Average Difference" HN 116 0.746 -0.512 0.545 19892 7 1 2 "Average Difference" N 115 3.960 -0.328 3.964 19892 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19892 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19892 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19892 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19892 12 1 2 "Average Difference" HN 116 0.698 -0.414 0.564 19892 13 1 3 "Average Difference" N 115 4.074 -0.294 4.081 19892 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19892 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19892 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19892 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19892 18 1 3 "Average Difference" HN 116 0.714 -0.413 0.585 19892 19 1 4 "Average Difference" N 115 4.295 -0.154 4.311 19892 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19892 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19892 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19892 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19892 24 1 4 "Average Difference" HN 116 0.757 -0.469 0.597 19892 25 1 5 "Average Difference" N 115 4.070 -0.231 4.081 19892 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19892 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19892 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19892 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19892 30 1 5 "Average Difference" HN 116 0.747 -0.428 0.615 19892 31 1 6 "Average Difference" N 115 3.863 -0.582 3.836 19892 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19892 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19892 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19892 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19892 36 1 6 "Average Difference" HN 116 0.676 -0.372 0.567 19892 37 1 7 "Average Difference" N 115 3.898 -0.421 3.892 19892 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19892 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19892 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19892 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19892 42 1 7 "Average Difference" HN 116 0.695 -0.442 0.538 19892 43 1 8 "Average Difference" N 115 4.429 -0.702 4.392 19892 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19892 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19892 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19892 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19892 48 1 8 "Average Difference" HN 116 0.735 -0.424 0.602 19892 49 1 9 "Average Difference" N 115 4.131 -0.411 4.129 19892 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19892 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19892 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19892 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19892 54 1 9 "Average Difference" HN 116 0.722 -0.414 0.594 19892 55 1 10 "Average Difference" N 115 4.116 -0.378 4.117 19892 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19892 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19892 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19892 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19892 60 1 10 "Average Difference" HN 116 0.698 -0.377 0.590 19892 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 19892 _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 3 3 SER N N 3 123.587 123.587 117.048 6.539 19892 2 1 . 1 1 3 3 SER H H 3 9.031 9.031 8.382 0.649 19892 3 1 . 1 1 4 4 THR N N 4 116.754 116.754 119.053 -2.299 19892 4 1 . 1 1 4 4 THR H H 4 8.556 8.556 8.066 0.490 19892 5 1 . 1 1 5 5 VAL N N 5 128.336 128.336 124.462 3.874 19892 6 1 . 1 1 5 5 VAL H H 5 8.817 8.817 8.684 0.133 19892 7 1 . 1 1 6 6 THR N N 6 115.974 115.974 121.885 -5.911 19892 8 1 . 1 1 6 6 THR H H 6 8.968 8.968 8.000 0.968 19892 9 1 . 1 1 7 7 GLY N N 7 105.889 105.889 111.151 -5.262 19892 10 1 . 1 1 7 7 GLY H H 7 8.766 8.766 7.923 0.843 19892 11 1 . 1 1 8 8 GLY N N 8 105.854 105.854 106.774 -0.920 19892 12 1 . 1 1 8 8 GLY H H 8 9.126 9.126 7.805 1.321 19892 13 1 . 1 1 9 9 TYR N N 9 121.078 121.078 118.514 2.564 19892 14 1 . 1 1 9 9 TYR H H 9 8.308 8.308 7.746 0.562 19892 15 1 . 1 1 11 11 GLN N N 11 121.317 121.317 121.926 -0.609 19892 16 1 . 1 1 11 11 GLN H H 11 8.262 8.262 8.322 -0.060 19892 17 1 . 1 1 12 12 SER N N 12 123.836 123.836 117.384 6.452 19892 18 1 . 1 1 12 12 SER H H 12 9.194 9.194 8.194 1.000 19892 19 1 . 1 1 13 13 ASP N N 13 124.275 124.275 123.051 1.224 19892 20 1 . 1 1 13 13 ASP H H 13 9.099 9.099 8.065 1.034 19892 21 1 . 1 1 14 14 ALA N N 14 128.864 128.864 124.198 4.666 19892 22 1 . 1 1 14 14 ALA H H 14 8.660 8.660 8.311 0.349 19892 23 1 . 1 1 15 15 GLN H H 15 8.316 8.316 8.447 -0.131 19892 24 1 . 1 1 16 16 GLY N N 16 112.489 112.489 113.010 -0.521 19892 25 1 . 1 1 16 16 GLY H H 16 8.701 8.701 8.742 -0.041 19892 26 1 . 1 1 17 17 GLN N N 17 119.022 119.022 119.841 -0.819 19892 27 1 . 1 1 17 17 GLN H H 17 8.111 8.111 7.640 0.471 19892 28 1 . 1 1 18 18 MET N N 18 120.328 120.328 120.700 -0.372 19892 29 1 . 1 1 18 18 MET H H 18 8.657 8.657 8.468 0.189 19892 30 1 . 1 1 19 19 ASN N N 19 117.284 117.284 117.655 -0.371 19892 31 1 . 1 1 19 19 ASN H H 19 8.009 8.009 8.157 -0.148 19892 32 1 . 1 1 20 20 LYS N N 20 121.136 121.136 121.136 -0.000 19892 33 1 . 1 1 20 20 LYS H H 20 8.548 8.548 8.248 0.300 19892 34 1 . 1 1 21 21 MET N N 21 119.903 119.903 117.750 2.153 19892 35 1 . 1 1 21 21 MET H H 21 8.618 8.618 7.794 0.824 19892 36 1 . 1 1 22 22 GLY N N 22 111.196 111.196 107.121 4.075 19892 37 1 . 1 1 22 22 GLY H H 22 8.501 8.501 8.022 0.479 19892 38 1 . 1 1 23 23 GLY N N 23 109.325 109.325 109.550 -0.225 19892 39 1 . 1 1 23 23 GLY H H 23 8.092 8.092 7.804 0.288 19892 40 1 . 1 1 24 24 PHE N N 24 120.147 120.147 118.822 1.325 19892 41 1 . 1 1 24 24 PHE H H 24 9.306 9.306 7.960 1.346 19892 42 1 . 1 1 25 25 ASN N N 25 118.392 118.392 121.194 -2.802 19892 43 1 . 1 1 25 25 ASN H H 25 8.516 8.516 8.181 0.335 19892 44 1 . 1 1 26 26 LEU N N 26 125.392 125.392 124.999 0.393 19892 45 1 . 1 1 26 26 LEU H H 26 9.381 9.381 8.242 1.139 19892 46 1 . 1 1 27 27 LYS N N 27 117.292 117.292 121.916 -4.624 19892 47 1 . 1 1 27 27 LYS H H 27 8.886 8.886 8.250 0.636 19892 48 1 . 1 1 28 28 TYR N N 28 120.230 120.230 121.623 -1.393 19892 49 1 . 1 1 28 28 TYR H H 28 8.358 8.358 8.677 -0.319 19892 50 1 . 1 1 29 29 ARG N N 29 129.080 129.080 123.837 5.243 19892 51 1 . 1 1 29 29 ARG H H 29 8.503 8.503 8.124 0.379 19892 52 1 . 1 1 30 30 TYR N N 30 126.838 126.838 125.047 1.791 19892 53 1 . 1 1 30 30 TYR H H 30 8.891 8.891 8.438 0.454 19892 54 1 . 1 1 31 31 GLU N N 31 128.005 128.005 123.808 4.197 19892 55 1 . 1 1 31 31 GLU H H 31 8.202 8.202 8.152 0.050 19892 56 1 . 1 1 32 32 GLU N N 32 122.404 122.404 122.889 -0.485 19892 57 1 . 1 1 32 32 GLU H H 32 9.137 9.137 8.660 0.477 19892 58 1 . 1 1 33 33 ASP N N 33 121.672 121.672 124.391 -2.720 19892 59 1 . 1 1 33 33 ASP H H 33 8.599 8.599 8.819 -0.220 19892 60 1 . 1 1 35 35 SER N N 35 113.001 113.001 113.067 -0.066 19892 61 1 . 1 1 35 35 SER H H 35 7.363 7.363 7.687 -0.324 19892 62 1 . 1 1 37 37 LEU N N 37 123.171 123.171 121.534 1.637 19892 63 1 . 1 1 37 37 LEU H H 37 8.027 8.027 7.634 0.393 19892 64 1 . 1 1 38 38 GLY N N 38 115.826 115.826 111.872 3.954 19892 65 1 . 1 1 38 38 GLY H H 38 9.050 9.050 7.861 1.190 19892 66 1 . 1 1 39 39 VAL N N 39 117.450 117.450 121.446 -3.996 19892 67 1 . 1 1 39 39 VAL H H 39 8.082 8.082 7.892 0.191 19892 68 1 . 1 1 40 40 ILE N N 40 125.944 125.944 124.769 1.175 19892 69 1 . 1 1 40 40 ILE H H 40 9.229 9.229 8.482 0.747 19892 70 1 . 1 1 41 41 GLY N N 41 111.187 111.187 111.905 -0.719 19892 71 1 . 1 1 41 41 GLY H H 41 9.112 9.112 8.771 0.341 19892 72 1 . 1 1 42 42 SER N N 42 116.459 116.459 118.587 -2.128 19892 73 1 . 1 1 42 42 SER H H 42 9.282 9.282 8.648 0.634 19892 74 1 . 1 1 43 43 PHE N N 43 128.932 128.932 123.045 5.887 19892 75 1 . 1 1 43 43 PHE H H 43 9.335 9.335 8.557 0.778 19892 76 1 . 1 1 44 44 THR N N 44 126.670 126.670 118.505 8.165 19892 77 1 . 1 1 44 44 THR H H 44 8.685 8.685 8.345 0.341 19892 78 1 . 1 1 45 45 TYR N N 45 125.515 125.515 127.022 -1.507 19892 79 1 . 1 1 45 45 TYR H H 45 8.176 8.176 8.393 -0.217 19892 80 1 . 1 1 46 46 THR N N 46 117.315 117.315 121.842 -4.527 19892 81 1 . 1 1 46 46 THR H H 46 8.574 8.574 8.255 0.320 19892 82 1 . 1 1 47 47 GLU N N 47 111.930 111.930 121.845 -9.915 19892 83 1 . 1 1 47 47 GLU H H 47 8.338 8.338 8.115 0.223 19892 84 1 . 1 1 49 49 SER N N 49 123.107 123.107 118.601 4.506 19892 85 1 . 1 1 49 49 SER H H 49 8.611 8.611 8.517 0.094 19892 86 1 . 1 1 52 52 ALA N N 52 127.376 127.376 125.029 2.348 19892 87 1 . 1 1 52 52 ALA H H 52 8.512 8.512 8.331 0.181 19892 88 1 . 1 1 55 55 GLY N N 55 110.790 110.790 109.294 1.496 19892 89 1 . 1 1 55 55 GLY H H 55 8.245 8.245 8.085 0.160 19892 90 1 . 1 1 56 56 ASP N N 56 120.332 120.332 120.378 -0.046 19892 91 1 . 1 1 56 56 ASP H H 56 7.848 7.848 8.123 -0.275 19892 92 1 . 1 1 57 57 TYR N N 57 121.702 121.702 119.876 1.826 19892 93 1 . 1 1 57 57 TYR H H 57 8.313 8.313 8.059 0.254 19892 94 1 . 1 1 58 58 ASN N N 58 122.198 122.198 118.851 3.347 19892 95 1 . 1 1 58 58 ASN H H 58 8.360 8.360 8.272 0.088 19892 96 1 . 1 1 59 59 LYS N N 59 121.010 121.010 120.052 0.958 19892 97 1 . 1 1 59 59 LYS H H 59 8.276 8.276 8.182 0.094 19892 98 1 . 1 1 60 60 ASN N N 60 123.086 123.086 118.668 4.418 19892 99 1 . 1 1 60 60 ASN H H 60 8.397 8.397 8.206 0.191 19892 100 1 . 1 1 61 61 GLN N N 61 120.020 120.020 118.722 1.298 19892 101 1 . 1 1 61 61 GLN H H 61 8.499 8.499 8.015 0.484 19892 102 1 . 1 1 62 62 TYR N N 62 123.137 123.137 122.905 0.233 19892 103 1 . 1 1 62 62 TYR H H 62 8.650 8.650 8.146 0.504 19892 104 1 . 1 1 63 63 TYR N N 63 123.929 123.929 127.869 -3.940 19892 105 1 . 1 1 63 63 TYR H H 63 8.381 8.381 8.170 0.211 19892 106 1 . 1 1 64 64 GLY N N 64 106.738 106.738 111.271 -4.533 19892 107 1 . 1 1 64 64 GLY H H 64 8.704 8.704 7.769 0.935 19892 108 1 . 1 1 65 65 ILE N N 65 128.892 128.892 123.230 5.662 19892 109 1 . 1 1 65 65 ILE H H 65 9.140 9.140 8.256 0.884 19892 110 1 . 1 1 66 66 THR N N 66 115.392 115.392 119.168 -3.776 19892 111 1 . 1 1 66 66 THR H H 66 9.025 9.025 8.184 0.840 19892 112 1 . 1 1 67 67 ALA N N 67 118.885 118.885 125.430 -6.545 19892 113 1 . 1 1 67 67 ALA H H 67 9.387 9.387 8.540 0.847 19892 114 1 . 1 1 68 68 GLY N N 68 103.875 103.875 106.255 -2.380 19892 115 1 . 1 1 68 68 GLY H H 68 9.016 9.016 7.871 1.145 19892 116 1 . 1 1 70 70 ALA N N 70 120.214 120.214 119.492 0.722 19892 117 1 . 1 1 70 70 ALA H H 70 7.875 7.875 7.647 0.228 19892 118 1 . 1 1 71 71 TYR N N 71 125.130 125.130 120.373 4.757 19892 119 1 . 1 1 71 71 TYR H H 71 9.786 9.786 8.633 1.153 19892 120 1 . 1 1 72 72 ARG N N 72 131.150 131.150 124.531 6.619 19892 121 1 . 1 1 72 72 ARG H H 72 8.860 8.860 8.732 0.128 19892 122 1 . 1 1 73 73 ILE N N 73 129.066 129.066 124.989 4.077 19892 123 1 . 1 1 73 73 ILE H H 73 8.475 8.475 8.499 -0.024 19892 124 1 . 1 1 77 77 ALA N N 77 124.611 124.611 119.743 4.868 19892 125 1 . 1 1 77 77 ALA H H 77 7.817 7.817 7.802 0.014 19892 126 1 . 1 1 78 78 SER N N 78 112.605 112.605 115.966 -3.361 19892 127 1 . 1 1 78 78 SER H H 78 8.195 8.195 8.076 0.119 19892 128 1 . 1 1 79 79 ILE N N 79 119.871 119.871 121.474 -1.603 19892 129 1 . 1 1 79 79 ILE H H 79 9.072 9.072 8.192 0.880 19892 130 1 . 1 1 80 80 TYR N N 80 119.773 119.773 123.672 -3.899 19892 131 1 . 1 1 80 80 TYR H H 80 8.439 8.439 8.298 0.141 19892 132 1 . 1 1 81 81 GLY N N 81 105.795 105.795 107.365 -1.570 19892 133 1 . 1 1 81 81 GLY H H 81 8.135 8.135 8.110 0.025 19892 134 1 . 1 1 82 82 VAL N N 82 111.057 111.057 116.274 -5.217 19892 135 1 . 1 1 82 82 VAL H H 82 8.553 8.553 8.657 -0.104 19892 136 1 . 1 1 83 83 VAL N N 83 113.157 113.157 121.528 -8.371 19892 137 1 . 1 1 83 83 VAL H H 83 9.021 9.021 8.066 0.955 19892 138 1 . 1 1 84 84 GLY N N 84 107.838 107.838 111.182 -3.344 19892 139 1 . 1 1 84 84 GLY H H 84 8.593 8.593 7.701 0.892 19892 140 1 . 1 1 85 85 VAL N N 85 122.494 122.494 118.354 4.140 19892 141 1 . 1 1 85 85 VAL H H 85 8.977 8.977 7.968 1.009 19892 142 1 . 1 1 86 86 GLY N N 86 113.663 113.663 110.528 3.135 19892 143 1 . 1 1 86 86 GLY H H 86 8.871 8.871 8.096 0.775 19892 144 1 . 1 1 87 87 TYR N N 87 123.276 123.276 120.831 2.445 19892 145 1 . 1 1 87 87 TYR H H 87 9.213 9.213 8.625 0.588 19892 146 1 . 1 1 89 89 LYS N N 89 122.370 122.370 125.230 -2.860 19892 147 1 . 1 1 89 89 LYS H H 89 8.130 8.130 7.732 0.398 19892 148 1 . 1 1 91 91 GLN N N 91 121.297 121.297 121.390 -0.093 19892 149 1 . 1 1 91 91 GLN H H 91 8.374 8.374 8.728 -0.354 19892 150 1 . 1 1 95 95 TYR N N 95 123.254 123.254 121.581 1.673 19892 151 1 . 1 1 95 95 TYR H H 95 8.263 8.263 8.294 -0.031 19892 152 1 . 1 1 98 98 TYR N N 98 122.383 122.383 120.247 2.135 19892 153 1 . 1 1 98 98 TYR H H 98 8.110 8.110 8.043 0.067 19892 154 1 . 1 1 99 99 LYS N N 99 122.511 122.511 120.542 1.969 19892 155 1 . 1 1 99 99 LYS H H 99 8.019 8.019 8.300 -0.281 19892 156 1 . 1 1 102 102 THR N N 102 113.735 113.735 114.913 -1.178 19892 157 1 . 1 1 102 102 THR H H 102 8.167 8.167 8.099 0.068 19892 158 1 . 1 1 103 103 SER N N 103 119.198 119.198 118.667 0.531 19892 159 1 . 1 1 103 103 SER H H 103 8.381 8.381 8.179 0.202 19892 160 1 . 1 1 104 104 ASP N N 104 122.272 122.272 123.160 -0.889 19892 161 1 . 1 1 104 104 ASP H H 104 8.203 8.203 8.274 -0.071 19892 162 1 . 1 1 105 105 TYR N N 105 116.595 116.595 120.491 -3.896 19892 163 1 . 1 1 105 105 TYR H H 105 8.636 8.636 8.250 0.386 19892 164 1 . 1 1 106 106 GLY N N 106 108.162 108.162 107.100 1.062 19892 165 1 . 1 1 106 106 GLY H H 106 9.253 9.253 7.943 1.310 19892 166 1 . 1 1 107 107 PHE N N 107 121.007 121.007 119.063 1.944 19892 167 1 . 1 1 107 107 PHE H H 107 8.777 8.777 7.960 0.817 19892 168 1 . 1 1 109 109 TYR N N 109 117.796 117.796 120.972 -3.176 19892 169 1 . 1 1 109 109 TYR H H 109 8.596 8.596 8.040 0.556 19892 170 1 . 1 1 110 110 GLY N N 110 105.777 105.777 108.700 -2.923 19892 171 1 . 1 1 110 110 GLY H H 110 9.008 9.008 7.762 1.246 19892 172 1 . 1 1 111 111 ALA N N 111 118.846 118.846 119.775 -0.929 19892 173 1 . 1 1 111 111 ALA H H 111 8.492 8.492 7.714 0.778 19892 174 1 . 1 1 112 112 GLY N N 112 105.658 105.658 105.181 0.477 19892 175 1 . 1 1 112 112 GLY H H 112 7.893 7.893 7.605 0.287 19892 176 1 . 1 1 113 113 LEU N N 113 116.176 116.176 116.467 -0.291 19892 177 1 . 1 1 113 113 LEU H H 113 9.009 9.009 8.143 0.867 19892 178 1 . 1 1 114 114 GLN N N 114 115.313 115.313 119.572 -4.259 19892 179 1 . 1 1 114 114 GLN H H 114 7.930 7.930 8.304 -0.374 19892 180 1 . 1 1 116 116 ASN N N 116 119.872 119.872 120.226 -0.354 19892 181 1 . 1 1 116 116 ASN H H 116 9.498 9.498 8.263 1.235 19892 182 1 . 1 1 118 118 MET N N 118 109.702 109.702 118.222 -8.520 19892 183 1 . 1 1 118 118 MET H H 118 7.330 7.330 7.603 -0.273 19892 184 1 . 1 1 119 119 GLU N N 119 120.422 120.422 122.453 -2.031 19892 185 1 . 1 1 119 119 GLU H H 119 9.090 9.090 8.819 0.271 19892 186 1 . 1 1 120 120 ASN N N 120 111.509 111.509 114.086 -2.577 19892 187 1 . 1 1 120 120 ASN H H 120 8.385 8.385 8.277 0.109 19892 188 1 . 1 1 121 121 VAL N N 121 117.347 117.347 118.373 -1.026 19892 189 1 . 1 1 121 121 VAL H H 121 7.551 7.551 7.239 0.312 19892 190 1 . 1 1 122 122 ALA N N 122 126.585 126.585 126.974 -0.389 19892 191 1 . 1 1 122 122 ALA H H 122 8.209 8.209 7.962 0.247 19892 192 1 . 1 1 123 123 LEU N N 123 120.129 120.129 122.285 -2.156 19892 193 1 . 1 1 123 123 LEU H H 123 9.050 9.050 8.140 0.910 19892 194 1 . 1 1 124 124 ASP N N 124 126.759 126.759 121.212 5.547 19892 195 1 . 1 1 124 124 ASP H H 124 8.603 8.603 8.008 0.595 19892 196 1 . 1 1 125 125 PHE N N 125 122.992 122.992 120.822 2.170 19892 197 1 . 1 1 125 125 PHE H H 125 8.705 8.705 8.433 0.272 19892 198 1 . 1 1 126 126 SER N N 126 118.579 118.579 116.701 1.878 19892 199 1 . 1 1 126 126 SER H H 126 9.364 9.364 8.211 1.153 19892 200 1 . 1 1 129 129 GLN N N 129 128.676 128.676 123.590 5.086 19892 201 1 . 1 1 129 129 GLN H H 129 9.398 9.398 8.165 1.233 19892 202 1 . 1 1 131 131 ARG N N 131 126.760 126.760 124.679 2.081 19892 203 1 . 1 1 131 131 ARG H H 131 7.826 7.826 8.298 -0.472 19892 204 1 . 1 1 132 132 ILE N N 132 129.144 129.144 123.902 5.242 19892 205 1 . 1 1 132 132 ILE H H 132 8.799 8.799 8.951 -0.152 19892 206 1 . 1 1 133 133 ARG N N 133 127.114 127.114 122.296 4.818 19892 207 1 . 1 1 133 133 ARG H H 133 9.414 9.414 8.768 0.646 19892 208 1 . 1 1 135 135 VAL N N 135 124.503 124.503 121.539 2.964 19892 209 1 . 1 1 135 135 VAL H H 135 8.307 8.307 7.152 1.155 19892 210 1 . 1 1 136 136 ASP N N 136 127.436 127.436 127.293 0.143 19892 211 1 . 1 1 136 136 ASP H H 136 8.001 8.001 8.162 -0.161 19892 212 1 . 1 1 137 137 VAL N N 137 123.910 123.910 124.368 -0.458 19892 213 1 . 1 1 137 137 VAL H H 137 8.756 8.756 8.339 0.417 19892 214 1 . 1 1 138 138 GLY N N 138 116.455 116.455 111.981 4.474 19892 215 1 . 1 1 138 138 GLY H H 138 8.349 8.349 8.606 -0.257 19892 216 1 . 1 1 139 139 THR N N 139 124.794 124.794 121.016 3.778 19892 217 1 . 1 1 139 139 THR H H 139 8.727 8.727 8.172 0.555 19892 218 1 . 1 1 141 141 ILE N N 141 124.275 124.275 118.820 5.455 19892 219 1 . 1 1 141 141 ILE H H 141 9.099 9.099 7.921 1.178 19892 220 1 . 1 1 142 142 ALA N N 142 127.355 127.355 126.364 0.990 19892 221 1 . 1 1 142 142 ALA H H 142 8.499 8.499 7.854 0.645 19892 222 1 . 1 1 143 143 GLY N N 143 108.725 108.725 108.326 0.399 19892 223 1 . 1 1 143 143 GLY H H 143 9.570 9.570 7.893 1.677 19892 224 1 . 1 1 144 144 VAL N N 144 114.300 114.300 117.113 -2.813 19892 225 1 . 1 1 144 144 VAL H H 144 8.868 8.868 8.306 0.562 19892 226 1 . 1 1 145 145 GLY N N 145 107.482 107.482 106.897 0.585 19892 227 1 . 1 1 145 145 GLY H H 145 8.718 8.718 7.655 1.064 19892 228 1 . 1 1 146 146 TYR N N 146 121.832 121.832 121.433 0.399 19892 229 1 . 1 1 146 146 TYR H H 146 8.411 8.411 9.046 -0.635 19892 230 1 . 1 1 147 147 ARG N N 147 130.069 130.069 123.554 6.515 19892 231 1 . 1 1 147 147 ARG H H 147 7.621 7.621 8.116 -0.495 19892 stop_ save_