============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 3 1.000 -38.614 15.579 -3.073 -99.200 -91.000 PHE 21 1.000 -35.670 24.556 -6.151 -99.200 -91.000 PHE 27 1.000 -30.631 29.698 -4.168 -99.200 -91.000 PHE 33 1.000 -29.498 39.048 4.098 -99.200 -91.000 TRP 35 1.040 -28.045 30.252 -0.741 -99.200 -91.000 TRP6 35 1.020 -27.611 28.175 -1.790 -99.200 -91.000 HIS 36 0.900 -22.147 34.783 -2.498 -99.200 -91.000 TYR 43 0.840 -28.605 32.174 -7.939 -99.200 -91.000 PHE 48 1.000 -28.788 24.681 8.484 -99.200 -91.000 TYR 64 0.840 -23.580 20.129 -9.700 -99.200 -91.000 PHE 71 1.000 -33.393 15.827 -1.160 -99.200 -91.000 TRP 75 1.040 -28.092 20.061 2.223 -99.200 -91.000 TRP6 75 1.020 -27.640 22.354 2.605 -99.200 -91.000 TYR 78 0.840 -30.986 26.176 3.006 -99.200 -91.000 PHE 79 1.000 -32.274 24.275 -1.537 -99.200 -91.000 TYR 82 0.840 -39.723 16.578 2.989 -99.200 -91.000 TYR 85 0.840 -43.459 27.078 -1.168 -99.200 -91.000 PHE 104 1.000 -41.037 40.080 -10.749 -99.200 -91.000 PHE 116 1.000 -25.271 32.706 16.743 -99.200 -91.000 PHE 122 1.000 -33.301 38.751 7.567 -99.200 -91.000 TYR 150 0.840 -18.388 23.332 -4.838 -99.200 -91.000 TYR 155 0.840 -16.884 28.794 -1.640 -99.200 -91.000 TYR 156 0.840 -12.553 31.488 5.425 -99.200 -91.000 PHE 158 1.000 -23.162 33.731 11.087 -99.200 -91.000 HIS 165 0.900 -18.959 35.242 25.072 -99.200 -91.000 PHE 167 1.000 -16.465 38.135 15.510 -99.200 -91.000 PHE 172 1.000 -20.113 41.186 16.451 -99.200 -91.000 PHE 179 1.000 -27.247 51.674 13.095 -99.200 -91.000 TYR 183 0.840 -28.614 48.231 18.249 -99.200 -91.000 TYR 192 0.840 -20.335 32.042 26.052 -99.200 -91.000 TYR 200 0.840 -39.161 28.424 25.860 -99.200 -91.000 HIS 210 0.900 -43.437 40.154 16.414 -99.200 -91.000 PHE 216 1.000 -32.245 37.357 21.053 -99.200 -91.000 PHE 230 1.000 -37.155 35.687 5.538 -99.200 -91.000 TYR 235 0.840 -44.254 28.797 7.016 -99.200 -91.000 PHE 238 1.000 -47.701 41.587 5.436 -99.200 -91.000 TRP 243 1.040 -37.409 47.494 -1.244 -99.200 -91.000 TRP6 243 1.020 -37.713 48.874 -3.141 -99.200 -91.000 TYR 252 0.840 -53.901 44.288 -0.159 -99.200 -91.000 PHE 265 1.000 -55.397 45.747 5.066 -99.200 -91.000 PHE 270 1.000 -52.189 39.406 2.450 -99.200 -91.000 PHE 276 1.000 -45.696 30.299 2.901 -99.200 -91.000 TYR 280 0.840 -45.518 34.217 -3.603 -99.200 -91.000 PHE 282 1.000 -37.847 42.425 -0.015 -99.200 -91.000 TYR 283 0.840 -38.227 38.098 -6.906 -99.200 -91.000 TYR 284 0.840 -44.851 43.488 -9.303 -99.200 -91.000