============================================================================= 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 13 1.040 31.563 10.664 9.550 -99.200 -91.000 TRP6 13 1.020 33.640 11.557 10.219 -99.200 -91.000 PHE 32 1.000 43.505 -12.759 24.032 -99.200 -91.000 PHE 36 1.000 45.179 -10.751 37.893 -99.200 -91.000 TYR 37 0.840 48.805 -7.160 37.991 -99.200 -91.000 TRP 48 1.040 43.247 -10.027 19.037 -99.200 -91.000 TRP6 48 1.020 41.346 -8.623 19.197 -99.200 -91.000 TRP 53 1.040 42.639 -0.252 19.116 -99.200 -91.000 TRP6 53 1.020 42.986 1.037 21.075 -99.200 -91.000 HIS 70 0.900 51.786 0.601 32.362 -99.200 -91.000 TYR 73 0.840 51.641 -3.796 35.530 -99.200 -91.000 TRP 91 1.040 47.773 15.896 23.605 -99.200 -91.000 TRP6 91 1.020 48.096 13.980 22.237 -99.200 -91.000 HIS 97 0.900 39.289 -2.482 33.002 -99.200 -91.000 HIS 105 0.900 39.404 -16.112 43.088 -99.200 -91.000 PHE 137 1.000 37.790 13.523 13.390 -99.200 -91.000 PHE 145 1.000 41.068 7.445 19.083 -99.200 -91.000 TYR 148 0.840 43.370 4.122 30.461 -99.200 -91.000 TYR 165 0.840 49.104 11.584 27.473 -99.200 -91.000 TYR 183 0.840 22.917 -6.618 33.383 -99.200 -91.000 PHE 192 1.000 26.227 10.901 30.985 -99.200 -91.000 TYR 196 0.840 37.679 9.574 43.264 -99.200 -91.000 PHE 201 1.000 34.384 15.139 29.504 -99.200 -91.000 TYR 204 0.840 30.656 18.680 25.239 -99.200 -91.000 TYR 212 0.840 25.441 15.472 17.713 -99.200 -91.000 TYR 218 0.840 20.637 12.534 29.819 -99.200 -91.000 PHE 220 1.000 23.221 13.211 35.468 -99.200 -91.000 TYR 225 0.840 34.452 1.226 44.020 -99.200 -91.000 HIS 230 0.900 36.040 7.020 36.675 -99.200 -91.000 TRP 233 1.040 42.987 9.908 32.123 -99.200 -91.000 TRP6 233 1.020 44.924 10.818 31.113 -99.200 -91.000 HIS 234 0.900 38.376 14.151 39.943 -99.200 -91.000 TYR 238 0.840 45.660 16.303 32.746 -99.200 -91.000 PHE 244 1.000 28.729 1.327 35.619 -99.200 -91.000 PHE 248 1.000 28.700 1.133 41.742 -99.200 -91.000 TYR 251 0.840 28.344 -3.480 39.675 -99.200 -91.000 HIS 256 0.900 35.417 -7.051 39.259 -99.200 -91.000 HIS 271 0.900 22.923 -0.557 27.834 -99.200 -91.000 PHE 275 1.000 26.802 3.084 27.764 -99.200 -91.000 TYR 282 0.840 35.211 12.912 24.467 -99.200 -91.000