============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 11 0.840 4.322 54.778 44.794 -99.200 -91.000 TYR 16 0.840 -1.064 59.893 56.039 -99.200 -91.000 TYR 18 0.840 -5.003 51.292 58.220 -99.200 -91.000 HIS 33 0.900 -24.183 57.803 69.919 -99.200 -91.000 PHE 75 1.000 -19.091 49.679 59.310 -99.200 -91.000 PHE 98 1.000 -0.082 58.602 73.516 -99.200 -91.000 PHE 102 1.000 3.355 63.835 71.187 -99.200 -91.000 TRP 103 1.040 -1.175 64.548 61.779 -99.200 -91.000 TRP6 103 1.020 -1.988 62.338 61.961 -99.200 -91.000 HIS 106 0.900 4.395 66.490 57.017 -99.200 -91.000 PHE 119 1.000 8.088 71.490 70.484 -99.200 -91.000 PHE 123 1.000 4.332 73.313 67.350 -99.200 -91.000 TYR 130 0.840 0.561 73.011 70.954 -99.200 -91.000 PHE 131 1.000 1.481 71.758 76.268 -99.200 -91.000 TYR 141 0.840 -0.372 67.275 74.503 -99.200 -91.000 TYR 142 0.840 -3.599 67.105 84.990 -99.200 -91.000 HIS 152 0.900 -0.561 54.059 87.249 -99.200 -91.000 PHE 161 1.000 5.936 46.661 93.111 -99.200 -91.000 PHE 177 1.000 3.640 51.446 89.518 -99.200 -91.000 HIS 185 0.900 1.437 44.211 96.052 -99.200 -91.000 HIS 202 0.900 0.327 63.398 98.896 -99.200 -91.000 TRP 213 1.040 -0.194 58.337 103.185 -99.200 -91.000 TRP6 213 1.020 0.655 60.538 103.110 -99.200 -91.000 PHE 220 1.000 15.183 62.052 89.654 -99.200 -91.000 HIS 226 0.900 18.676 54.245 103.710 -99.200 -91.000 HIS 230 0.900 15.609 51.988 96.366 -99.200 -91.000 HIS 237 0.900 11.028 58.230 79.150 -99.200 -91.000 TRP 239 1.040 16.572 62.343 84.082 -99.200 -91.000 TRP6 239 1.020 17.269 64.439 84.908 -99.200 -91.000 HIS 257 0.900 15.907 42.985 101.773 -99.200 -91.000 HIS 274 0.900 7.916 46.226 72.548 -99.200 -91.000 PHE 280 1.000 9.318 58.694 63.779 -99.200 -91.000 PHE 298 1.000 19.828 48.745 85.316 -99.200 -91.000