============================================================================= 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 1.040 111.819 22.776 176.618 -99.200 -91.000 TRP6 25 1.020 113.807 21.533 176.887 -99.200 -91.000 PHE 56 1.000 104.199 19.330 168.434 -99.200 -91.000 PHE 94 1.000 103.495 25.180 148.108 -99.200 -91.000 TYR 104 0.840 95.984 28.235 122.932 -99.200 -91.000 TYR 109 0.840 103.528 37.414 104.020 -99.200 -91.000 TYR 110 0.840 95.087 38.285 101.977 -99.200 -91.000 TYR 116 0.840 93.764 44.415 83.291 -99.200 -91.000 TRP 123 1.040 84.925 45.539 97.797 -99.200 -91.000 TRP6 123 1.020 83.757 43.748 98.809 -99.200 -91.000 PHE 147 1.000 99.786 43.858 102.147 -99.200 -91.000 PHE 150 1.000 100.582 35.617 93.458 -99.200 -91.000 TYR 158 0.840 106.663 33.360 82.030 -99.200 -91.000 TYR 160 0.840 101.238 42.232 77.711 -99.200 -91.000 TYR 172 0.840 101.818 53.225 75.476 -99.200 -91.000 PHE 182 1.000 104.204 43.247 91.992 -99.200 -91.000 TYR 184 0.840 107.053 37.559 98.139 -99.200 -91.000 HIS 186 0.900 107.598 41.305 103.740 -99.200 -91.000 PHE 197 1.000 96.590 42.786 106.838 -99.200 -91.000 PHE 217 1.000 102.071 26.621 93.221 -99.200 -91.000 TRP 232 1.040 106.904 32.826 108.617 -99.200 -91.000 TRP6 232 1.020 104.583 32.760 108.194 -99.200 -91.000 HIS 238 0.900 104.919 29.533 112.339 -99.200 -91.000 PHE 242 1.000 98.673 31.336 95.824 -99.200 -91.000 HIS 249 0.900 103.599 30.220 84.438 -99.200 -91.000 HIS 268 0.900 117.915 33.049 96.401 -99.200 -91.000 HIS 274 0.900 110.360 44.562 94.190 -99.200 -91.000 TYR 275 0.840 112.220 34.571 93.856 -99.200 -91.000 TYR 283 0.840 107.204 30.030 87.237 -99.200 -91.000 PHE 302 1.000 97.076 25.965 97.322 -99.200 -91.000 TYR 312 0.840 95.201 27.132 92.749 -99.200 -91.000 TYR 315 0.840 98.168 22.372 91.144 -99.200 -91.000 TYR 342 0.840 92.626 30.597 118.420 -99.200 -91.000 PHE 364 1.000 107.063 20.420 141.745 -99.200 -91.000 PHE 391 1.000 100.498 21.457 137.828 -99.200 -91.000 PHE 408 1.000 109.797 27.822 146.758 -99.200 -91.000 PHE 415 1.000 100.504 29.637 131.429 -99.200 -91.000 PHE 425 1.000 114.077 27.996 156.009 -99.200 -91.000 HIS 440 0.900 116.548 34.590 191.130 -99.200 -91.000 PHE 449 1.000 114.803 29.549 184.868 -99.200 -91.000