============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 8 1.000 -2.063 30.697 50.713 -99.200 -91.000 PHE 22 1.000 -2.618 38.909 59.732 -99.200 -91.000 PHE 26 1.000 -8.906 36.191 67.388 -99.200 -91.000 TYR 36 0.840 -20.491 28.879 66.187 -99.200 -91.000 TYR 42 0.840 -21.597 24.086 67.045 -99.200 -91.000 TYR 58 0.840 -7.851 28.979 82.147 -99.200 -91.000 TYR 64 0.840 -18.439 24.322 71.007 -99.200 -91.000 TYR 66 0.840 -20.303 18.901 67.753 -99.200 -91.000 TYR 82 0.840 -16.387 17.495 81.667 -99.200 -91.000 PHE 87 1.000 -12.527 12.207 70.371 -99.200 -91.000 TYR 92 0.840 -6.064 12.195 54.286 -99.200 -91.000 TYR 97 0.840 -5.137 17.438 64.551 -99.200 -91.000 PHE 111 1.000 -2.938 14.169 79.997 -99.200 -91.000 TRP 112 1.040 -1.150 10.134 83.180 -99.200 -91.000 TRP6 112 1.020 0.191 9.678 81.276 -99.200 -91.000 TRP 116 1.040 -4.563 2.005 78.916 -99.200 -91.000 TRP6 116 1.020 -2.265 1.513 79.156 -99.200 -91.000 TYR 118 0.840 -10.887 8.053 73.372 -99.200 -91.000 TYR 130 0.840 4.688 27.086 89.250 -99.200 -91.000 TYR 140 0.840 1.019 15.816 81.236 -99.200 -91.000 TRP 141 1.040 6.448 16.461 82.858 -99.200 -91.000 TRP6 141 1.020 4.799 18.178 83.086 -99.200 -91.000 PHE 151 1.000 0.538 10.974 87.419 -99.200 -91.000 PHE 154 1.000 -4.110 4.748 83.685 -99.200 -91.000 TYR 167 0.840 10.925 20.633 69.653 -99.200 -91.000 PHE 176 1.000 -5.150 0.277 83.245 -99.200 -91.000 TYR 184 0.840 8.279 8.084 71.383 -99.200 -91.000 PHE 186 1.000 7.380 15.113 69.908 -99.200 -91.000 HIS 187 0.900 6.996 21.119 78.861 -99.200 -91.000 TYR 188 0.840 7.678 25.937 71.288 -99.200 -91.000 TRP 191 1.040 3.542 30.133 71.978 -99.200 -91.000 TRP6 191 1.020 2.663 28.414 70.614 -99.200 -91.000 HIS 194 0.900 -4.472 34.805 76.795 -99.200 -91.000 TRP 208 1.040 11.035 16.897 60.276 -99.200 -91.000 TRP6 208 1.020 10.840 16.791 57.910 -99.200 -91.000 TYR 213 0.840 9.377 10.575 67.784 -99.200 -91.000 HIS 224 0.900 -1.067 19.558 77.931 -99.200 -91.000 TYR 240 0.840 -7.423 19.932 58.460 -99.200 -91.000 TRP 242 1.040 4.326 20.309 56.742 -99.200 -91.000 TRP6 242 1.020 5.899 20.730 58.439 -99.200 -91.000 PHE 254 1.000 -5.368 26.538 53.334 -99.200 -91.000 PHE 257 1.000 -12.586 34.118 59.032 -99.200 -91.000 TYR 277 0.840 -6.537 34.781 61.401 -99.200 -91.000 TYR 281 0.840 -1.012 35.128 55.997 -99.200 -91.000 PHE 288 1.000 0.087 27.167 50.733 -99.200 -91.000