============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 70.038 20.538 55.681 -99.200 -91.000 TRP6 14 1.020 69.679 18.898 57.347 -99.200 -91.000 PHE 19 1.000 68.088 37.229 50.376 -99.200 -91.000 TRP 37 1.040 84.726 26.100 55.850 -99.200 -91.000 TRP6 37 1.020 85.840 27.053 53.989 -99.200 -91.000 HIS 43 0.900 74.152 27.811 38.298 -99.200 -91.000 TYR 47 0.840 76.424 30.706 33.001 -99.200 -91.000 TRP 49 1.040 72.662 33.449 32.499 -99.200 -91.000 TRP6 49 1.020 71.557 32.335 34.270 -99.200 -91.000 PHE 53 1.000 76.675 38.253 41.854 -99.200 -91.000 HIS 65 0.900 58.244 28.142 57.290 -99.200 -91.000 TYR 70 0.840 64.314 39.746 61.567 -99.200 -91.000 TYR 84 0.840 88.333 29.569 49.708 -99.200 -91.000 HIS 86 0.900 86.688 21.580 40.956 -99.200 -91.000 TYR 89 0.840 81.510 27.190 37.030 -99.200 -91.000 TRP 91 1.040 83.406 30.095 33.099 -99.200 -91.000 TRP6 91 1.020 83.315 31.414 31.136 -99.200 -91.000 PHE 110 1.000 76.317 24.327 64.111 -99.200 -91.000 TYR 113 0.840 63.684 27.559 65.096 -99.200 -91.000 HIS 115 0.900 72.537 20.114 63.748 -99.200 -91.000 TYR 132 0.840 68.224 3.039 46.833 -99.200 -91.000 TRP 139 1.040 62.473 30.376 50.650 -99.200 -91.000 TRP6 139 1.020 64.338 29.737 51.956 -99.200 -91.000 TRP 146 1.040 59.545 30.231 29.158 -99.200 -91.000 TRP6 146 1.020 61.645 29.182 28.878 -99.200 -91.000 PHE 180 1.000 72.573 13.476 42.052 -99.200 -91.000 TYR 184 0.840 58.274 11.036 41.138 -99.200 -91.000 PHE 203 1.000 68.661 14.287 45.168 -99.200 -91.000 PHE 209 1.000 72.306 1.325 55.151 -99.200 -91.000 TRP 213 1.040 67.545 14.193 57.313 -99.200 -91.000 TRP6 213 1.020 66.102 13.864 55.476 -99.200 -91.000 TYR 214 0.840 75.352 10.815 55.564 -99.200 -91.000 TRP 221 1.040 73.172 20.946 34.287 -99.200 -91.000 TRP6 221 1.020 72.298 19.803 32.401 -99.200 -91.000 TYR 231 0.840 64.310 12.274 33.436 -99.200 -91.000 PHE 233 1.000 71.051 16.228 33.709 -99.200 -91.000 TYR 234 0.840 69.165 17.699 41.513 -99.200 -91.000 HIS 236 0.900 78.372 11.777 42.372 -99.200 -91.000 PHE 238 1.000 82.258 9.444 47.439 -99.200 -91.000 TRP 243 1.040 87.820 22.116 45.026 -99.200 -91.000 TRP6 243 1.020 85.853 23.270 45.654 -99.200 -91.000 PHE 251 1.000 92.680 28.237 50.832 -99.200 -91.000