============================================================================= 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 3 0.900 -0.946 11.518 27.671 -99.200 -91.000 TYR 7 0.840 1.986 -3.802 30.792 -99.200 -91.000 PHE 8 1.000 3.433 -3.036 22.397 -99.200 -91.000 PHE 9 1.000 2.360 -9.175 27.853 -99.200 -91.000 PHE 22 1.000 6.617 -13.689 28.659 -99.200 -91.000 TYR 27 0.840 7.220 0.624 24.428 -99.200 -91.000 PHE 33 1.000 5.216 1.017 32.316 -99.200 -91.000 PHE 36 1.000 10.214 -12.264 33.232 -99.200 -91.000 TRP 51 1.040 8.377 7.734 33.939 -99.200 -91.000 TRP6 51 1.020 6.728 6.054 33.673 -99.200 -91.000 TYR 59 0.840 4.395 -1.531 39.846 -99.200 -91.000 TRP 60 1.040 9.284 -2.306 41.537 -99.200 -91.000 TRP6 60 1.020 9.385 -2.089 39.180 -99.200 -91.000 HIS 70 0.900 0.491 -11.587 31.949 -99.200 -91.000 HIS 74 0.900 2.237 -15.021 25.544 -99.200 -91.000 TYR 84 0.840 -6.550 -25.070 19.559 -99.200 -91.000 TYR 85 0.840 -3.233 -22.691 13.496 -99.200 -91.000 HIS 93 0.900 5.467 -23.447 14.734 -99.200 -91.000 TYR 99 0.840 -2.420 -7.028 28.812 -99.200 -91.000 TRP 107 1.040 -6.205 14.267 31.104 -99.200 -91.000 TRP6 107 1.020 -4.226 13.321 31.981 -99.200 -91.000 PHE 109 1.000 -12.353 2.465 27.844 -99.200 -91.000 TYR 113 0.840 -6.504 -0.371 21.408 -99.200 -91.000 HIS 114 0.900 -6.489 -10.187 25.384 -99.200 -91.000 TYR 116 0.840 -2.171 -15.362 21.600 -99.200 -91.000 TYR 118 0.840 0.919 -20.661 16.113 -99.200 -91.000 TYR 123 0.840 -5.541 -18.310 17.674 -99.200 -91.000 TRP 133 1.040 -13.737 -12.911 22.701 -99.200 -91.000 TRP6 133 1.020 -11.690 -12.031 23.482 -99.200 -91.000 HIS 145 0.900 -17.102 -22.071 19.294 -99.200 -91.000 TRP 147 1.040 -10.028 -17.264 25.501 -99.200 -91.000 TRP6 147 1.020 -8.624 -15.675 24.448 -99.200 -91.000 HIS 151 0.900 -19.737 -15.435 30.924 -99.200 -91.000 TYR 159 0.840 -5.748 -4.568 32.814 -99.200 -91.000 TRP 167 1.040 -2.700 0.681 38.977 -99.200 -91.000 TRP6 167 1.020 -0.763 0.744 40.331 -99.200 -91.000 TYR 171 0.840 2.069 2.895 35.603 -99.200 -91.000 HIS 188 0.900 19.382 20.218 9.778 -99.200 -91.000 HIS 191 0.900 21.498 22.996 -2.842 -99.200 -91.000 HIS 192 0.900 23.402 16.962 0.648 -99.200 -91.000 HIS 197 0.900 22.245 21.434 -16.342 -99.200 -91.000 TRP 204 1.040 18.294 16.316 7.822 -99.200 -91.000 TRP6 204 1.020 18.864 14.171 8.643 -99.200 -91.000 PHE 208 1.000 10.163 13.555 15.480 -99.200 -91.000 TYR 209 0.840 7.661 11.229 24.132 -99.200 -91.000 TRP 217 1.040 10.002 17.926 0.519 -99.200 -91.000 TRP6 217 1.020 11.300 19.867 0.874 -99.200 -91.000 PHE 241 1.000 10.322 7.998 19.038 -99.200 -91.000 TRP 244 1.040 16.350 11.566 6.181 -99.200 -91.000 TRP6 244 1.020 15.984 10.966 3.916 -99.200 -91.000 TYR 257 0.840 10.483 22.381 -5.537 -99.200 -91.000 HIS 260 0.900 4.309 23.584 4.026 -99.200 -91.000 HIS 263 0.900 6.005 16.541 17.661 -99.200 -91.000 TRP 274 1.040 18.777 26.296 -0.223 -99.200 -91.000 TRP6 274 1.020 20.