============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 1 0.840 -16.387 68.272 117.990 -99.200 -91.000 TRP 6 1.040 -23.523 70.214 135.800 -99.200 -91.000 TRP6 6 1.020 -25.105 68.590 135.125 -99.200 -91.000 TYR 12 0.840 -16.630 79.281 133.208 -99.200 -91.000 TYR 16 0.840 -13.615 82.900 129.734 -99.200 -91.000 PHE 21 1.000 -5.050 78.558 121.352 -99.200 -91.000 TYR 39 0.840 -22.168 80.458 141.529 -99.200 -91.000 TYR 42 0.840 -28.401 86.623 130.310 -99.200 -91.000 TYR 57 0.840 -29.944 75.803 126.159 -99.200 -91.000 PHE 59 1.000 -26.214 68.218 125.084 -99.200 -91.000 TYR 61 0.840 -18.098 65.734 122.492 -99.200 -91.000 PHE 65 1.000 -13.961 73.245 132.314 -99.200 -91.000 TYR 70 0.840 -16.011 63.782 135.404 -99.200 -91.000 PHE 92 1.000 -8.770 63.813 131.569 -99.200 -91.000 PHE 93 1.000 -11.169 72.305 127.367 -99.200 -91.000 PHE 94 1.000 -7.678 73.285 133.781 -99.200 -91.000 PHE 98 1.000 -7.878 70.192 125.533 -99.200 -91.000 PHE 100 1.000 -13.760 70.004 122.588 -99.200 -91.000 TYR 103 0.840 -9.692 64.937 125.434 -99.200 -91.000 TRP 119 1.040 4.262 55.704 126.296 -99.200 -91.000 TRP6 119 1.020 2.976 56.195 124.364 -99.200 -91.000 TYR 126 0.840 -1.014 63.706 130.365 -99.200 -91.000 PHE 129 1.000 -8.235 59.905 124.765 -99.200 -91.000 PHE 131 1.000 -6.606 51.562 130.745 -99.200 -91.000 PHE 135 1.000 -1.423 44.570 122.823 -99.200 -91.000 PHE 138 1.000 0.457 42.585 127.828 -99.200 -91.000 TYR 139 0.840 8.219 42.757 131.293 -99.200 -91.000 HIS 141 0.900 11.062 39.286 127.540 -99.200 -91.000 TYR 145 0.840 5.544 45.206 120.847 -99.200 -91.000 PHE 148 1.000 0.618 41.288 118.705 -99.200 -91.000 TYR 153 0.840 -0.503 32.365 114.682 -99.200 -91.000 TYR 154 0.840 2.202 35.393 117.432 -99.200 -91.000 TYR 168 0.840 3.729 34.574 150.311 -99.200 -91.000 PHE 187 1.000 -0.331 38.275 131.310 -99.200 -91.000 HIS 189 0.900 -2.362 45.987 138.214 -99.200 -91.000 PHE 193 1.000 -2.641 32.376 132.340 -99.200 -91.000 TRP 200 1.040 -5.371 38.126 125.754 -99.200 -91.000 TRP6 200 1.020 -3.756 39.506 124.722 -99.200 -91.000 PHE 213 1.000 0.920 56.264 118.691 -99.200 -91.000 PHE 228 1.000 7.981 50.221 115.471 -99.200 -91.000 TYR 233 0.840 0.704 47.501 112.476 -99.200 -91.000 PHE 239 1.000 8.220 56.607 122.861 -99.200 -91.000 HIS 240 0.900 17.352 53.503 119.025 -99.200 -91.000 TYR 245 0.840 16.482 52.785 110.110 -99.200 -91.000 PHE 250 1.000 17.896 62.060 120.415 -99.200 -91.000 PHE 251 1.000 10.547 61.753 123.268 -99.200 -91.000 TYR 254 0.840 16.949 58.817 127.967 -99.200 -91.000 TRP 256 1.040 20.148 68.647 130.290 -99.200 -91.000 TRP6 256 1.020 18.889 68.681 132.290 -99.200 -91.000 TYR 261 0.840 15.917 65.785 137.409 -99.200 -91.000 TYR 273 0.840 12.329 61.968 128.975 -99.200 -91.000 TRP 277 1.040 10.820 63.527 133.297 -99.200 -91.000 TRP6 277 1.020 12.546 65.147 133.337 -99.200 -91.000 PHE 293 1.000 5.451 62.666 116.896 -99.200 -91.000