============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 89.882 -17.329 13.073 -99.200 -91.000 TYR 31 0.840 72.136 -18.915 10.865 -99.200 -91.000 TYR 36 0.840 75.189 -21.661 16.390 -99.200 -91.000 TYR 37 0.840 77.000 -19.059 24.014 -99.200 -91.000 PHE 38 1.000 81.815 -18.030 17.434 -99.200 -91.000 TRP 40 1.040 88.983 -14.585 19.713 -99.200 -91.000 TRP6 40 1.020 86.651 -14.316 19.399 -99.200 -91.000 TYR 42 0.840 95.610 -14.905 29.330 -99.200 -91.000 PHE 57 1.000 83.550 -10.205 29.090 -99.200 -91.000 PHE 66 1.000 69.992 -6.519 30.887 -99.200 -91.000 TYR 89 0.840 55.112 7.802 38.692 -99.200 -91.000 TRP 90 1.040 62.029 13.020 44.021 -99.200 -91.000 TRP6 90 1.020 64.074 13.347 42.877 -99.200 -91.000 TRP 98 1.040 62.337 19.250 37.551 -99.200 -91.000 TRP6 98 1.020 63.165 17.343 36.438 -99.200 -91.000 HIS 105 0.900 58.636 15.027 27.942 -99.200 -91.000 TYR 109 0.840 68.632 8.469 26.244 -99.200 -91.000 PHE 131 1.000 72.011 16.962 38.521 -99.200 -91.000 TYR 132 0.840 67.857 14.484 38.663 -99.200 -91.000 TRP 135 1.040 68.641 20.251 34.103 -99.200 -91.000 TRP6 135 1.020 66.466 19.872 33.267 -99.200 -91.000 TRP 139 1.040 67.908 22.760 23.468 -99.200 -91.000 TRP6 139 1.020 69.425 21.057 24.109 -99.200 -91.000 TYR 147 0.840 73.475 7.601 25.674 -99.200 -91.000 PHE 155 1.000 61.458 4.977 32.595 -99.200 -91.000 PHE 167 1.000 67.117 -0.017 38.277 -99.200 -91.000 PHE 176 1.000 69.391 -8.556 36.058 -99.200 -91.000 HIS 183 0.900 75.992 -18.098 36.417 -99.200 -91.000 TRP 185 1.040 74.908 -11.701 40.178 -99.200 -91.000 TRP6 185 1.020 73.518 -11.829 42.089 -99.200 -91.000 TYR 196 0.840 83.250 -7.393 38.133 -99.200 -91.000 TRP 198 1.040 90.721 -7.736 37.887 -99.200 -91.000 TRP6 198 1.020 90.229 -5.952 39.350 -99.200 -91.000 TYR 200 0.840 93.214 -5.950 32.191 -99.200 -91.000 HIS 207 0.900 86.404 -5.305 38.723 -99.200 -91.000 TYR 218 0.840 77.320 4.345 35.458 -99.200 -91.000 TRP 230 1.040 69.149 -8.020 27.278 -99.200 -91.000 TRP6 230 1.020 67.105 -7.748 28.456 -99.200 -91.000 TYR 256 0.840 58.065 4.809 23.422 -99.200 -91.000 TRP 257 1.040 60.785 10.906 21.860 -99.200 -91.000 TRP6 257 1.020 59.550 12.919 21.832 -99.200 -91.000 TYR 263 0.840 62.125 5.188 13.175 -99.200 -91.000 TRP 268 1.040 66.262 -2.986 23.586 -99.200 -91.000 TRP6 268 1.020 68.382 -3.991 23.233 -99.200 -91.000 TRP 273 1.040 67.054 -6.128 7.543 -99.200 -91.000 TRP6 273 1.020 69.397 -6.055 7.852 -99.200 -91.000 TRP 309 1.040 71.364 -2.587 13.514 -99.200 -91.000 TRP6 309 1.020 72.714 -4.315 12.618 -99.200 -91.000 HIS 311 0.900 72.332 0.319 17.011 -99.200 -91.000 PHE 319 1.000 84.962 -4.905 31.925 -99.200 -91.000 TYR 322 0.840 76.620 -2.829 18.286 -99.200 -91.000 PHE 325 1.000 67.335 -7.221 19.455 -99.200 -91.000 TYR 341 0.840 86.238 -2.667 20.853 -99.200 -91.000 TRP 351 1.040 77.346 -3.988 7.617 -99.200 -91.000 TRP6 351 1.020 75.030 -4.133 7.202 -99.200 -91.000