============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 25 1.040 111.749 22.921 176.565 -99.200 -91.000 TRP6 25 1.020 113.745 21.696 176.873 -99.200 -91.000 PHE 56 1.000 104.050 19.397 168.345 -99.200 -91.000 PHE 94 1.000 103.432 25.351 148.159 -99.200 -91.000 TYR 104 0.840 95.973 28.246 122.875 -99.200 -91.000 TYR 109 0.840 103.535 37.357 104.008 -99.200 -91.000 TYR 110 0.840 95.018 38.311 101.925 -99.200 -91.000 TYR 116 0.840 93.643 44.378 83.211 -99.200 -91.000 TRP 123 1.040 84.843 45.618 97.691 -99.200 -91.000 TRP6 123 1.020 83.691 43.859 98.771 -99.200 -91.000 PHE 147 1.000 99.778 43.805 102.177 -99.200 -91.000 PHE 150 1.000 100.514 35.597 93.439 -99.200 -91.000 TYR 158 0.840 106.665 33.258 81.959 -99.200 -91.000 TYR 160 0.840 101.190 42.208 77.652 -99.200 -91.000 TYR 172 0.840 101.745 53.240 75.384 -99.200 -91.000 PHE 182 1.000 104.282 43.166 91.991 -99.200 -91.000 TYR 184 0.840 107.018 37.544 98.063 -99.200 -91.000 HIS 186 0.900 107.688 41.252 103.739 -99.200 -91.000 PHE 197 1.000 96.661 42.874 106.806 -99.200 -91.000 PHE 217 1.000 102.019 26.545 93.228 -99.200 -91.000 TRP 232 1.040 106.803 32.809 108.522 -99.200 -91.000 TRP6 232 1.020 104.460 32.736 108.214 -99.200 -91.000 HIS 238 0.900 104.873 29.623 112.350 -99.200 -91.000 PHE 242 1.000 98.693 31.321 95.829 -99.200 -91.000 HIS 249 0.900 103.562 30.101 84.370 -99.200 -91.000 HIS 268 0.900 117.902 32.995 96.363 -99.200 -91.000 HIS 274 0.900 110.371 44.534 94.212 -99.200 -91.000 TYR 275 0.840 112.183 34.535 93.818 -99.200 -91.000 TYR 283 0.840 107.220 29.943 87.233 -99.200 -91.000 PHE 302 1.000 96.990 25.947 97.367 -99.200 -91.000 TYR 312 0.840 95.143 27.082 92.767 -99.200 -91.000 TYR 315 0.840 98.106 22.283 91.061 -99.200 -91.000 TYR 342 0.840 92.617 30.653 118.430 -99.200 -91.000 PHE 364 1.000 106.858 20.601 141.772 -99.200 -91.000 PHE 391 1.000 100.503 21.534 137.960 -99.200 -91.000 PHE 408 1.000 109.728 27.945 146.719 -99.200 -91.000 PHE 415 1.000 100.593 29.746 131.386 -99.200 -91.000 PHE 425 1.000 114.026 28.105 155.964 -99.200 -91.000 HIS 440 0.900 116.456 34.792 191.146 -99.200 -91.000 PHE 449 1.000 114.769 29.918 184.857 -99.200 -91.000