============================================================================= 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 14 1.040 8.192 7.275 18.414 -99.200 -91.000 TRP6 14 1.020 6.956 9.200 19.051 -99.200 -91.000 PHE 19 1.000 12.752 -4.163 2.921 -99.200 -91.000 TRP 37 1.040 22.809 11.403 14.302 -99.200 -91.000 TRP6 37 1.020 24.660 9.932 14.222 -99.200 -91.000 HIS 43 0.900 19.113 -7.997 19.233 -99.200 -91.000 TYR 47 0.840 23.299 -13.108 18.755 -99.200 -91.000 TRP 49 1.040 21.263 -16.282 16.380 -99.200 -91.000 TRP6 49 1.020 19.186 -15.180 16.466 -99.200 -91.000 PHE 53 1.000 22.242 -7.932 8.332 -99.200 -91.000 HIS 65 0.900 -0.821 1.421 10.158 -99.200 -91.000 TYR 70 0.840 7.238 2.712 -2.099 -99.200 -91.000 TYR 84 0.840 29.062 6.378 13.996 -99.200 -91.000 HIS 86 0.900 28.453 0.951 24.659 -99.200 -91.000 TYR 89 0.840 26.260 -6.362 20.846 -99.200 -91.000 TRP 91 1.040 29.653 -10.064 20.142 -99.200 -91.000 TRP6 91 1.020 30.669 -12.150 19.760 -99.200 -91.000 PHE 110 1.000 11.976 15.643 11.677 -99.200 -91.000 TYR 113 0.840 1.060 10.275 7.351 -99.200 -91.000 HIS 115 0.900 7.758 15.268 15.421 -99.200 -91.000 TYR 132 0.840 5.596 5.472 37.574 -99.200 -91.000 TRP 139 1.040 5.550 -2.926 10.822 -99.200 -91.000 TRP6 139 1.020 7.078 -1.148 11.043 -99.200 -91.000 PHE 175 1.000 13.350 -0.602 30.620 -99.200 -91.000 TYR 179 0.840 0.147 -6.167 31.897 -99.200 -91.000 PHE 198 1.000 9.041 0.170 28.120 -99.200 -91.000 PHE 204 1.000 6.990 14.676 35.944 -99.200 -91.000 TRP 208 1.040 4.044 10.139 23.157 -99.200 -91.000 TRP6 208 1.020 3.290 8.126 24.153 -99.200 -91.000 TYR 209 0.840 11.182 12.753 27.460 -99.200 -91.000 TRP 216 1.040 18.140 -9.949 27.027 -99.200 -91.000 TRP6 216 1.020 17.439 -11.431 28.734 -99.200 -91.000 TYR 226 0.840 8.307 -10.756 34.313 -99.200 -91.000 PHE 228 1.000 15.120 -9.517 31.261 -99.200 -91.000 TYR 229 0.840 11.428 -4.044 26.619 -99.200 -91.000 HIS 231 0.900 18.198 2.506 32.375 -99.200 -91.000 PHE 233 1.000 20.115 9.203 32.249 -99.200 -91.000 TRP 238 1.040 28.528 4.678 22.298 -99.200 -91.000 TRP6 238 1.020 26.692 4.056 20.947 -99.200 -91.000 PHE 246 1.000 32.314 9.341 14.994 -99.200 -91.000