============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 44.628 23.844 0.347 -99.200 -91.000 TRP6 14 1.020 42.813 24.067 -1.159 -99.200 -91.000 PHE 19 1.000 61.272 18.938 0.947 -99.200 -91.000 TRP 37 1.040 51.961 36.856 4.373 -99.200 -91.000 TRP6 37 1.020 53.265 37.136 6.319 -99.200 -91.000 HIS 43 0.900 54.819 20.399 16.195 -99.200 -91.000 TYR 47 0.840 59.995 19.930 21.875 -99.200 -91.000 TRP 49 1.040 63.175 16.633 20.676 -99.200 -91.000 TRP6 49 1.020 61.657 15.919 18.992 -99.200 -91.000 PHE 53 1.000 64.900 23.202 11.793 -99.200 -91.000 HIS 65 0.900 48.340 17.688 -4.844 -99.200 -91.000 TYR 70 0.840 63.291 20.697 -8.803 -99.200 -91.000 TYR 84 0.840 56.380 37.720 10.600 -99.200 -91.000 HIS 86 0.900 50.172 33.476 19.700 -99.200 -91.000 TYR 89 0.840 55.422 26.506 20.386 -99.200 -91.000 TRP 91 1.040 59.088 25.601 24.854 -99.200 -91.000 TRP6 91 1.020 60.277 24.288 26.442 -99.200 -91.000 TYR 113 0.840 49.402 20.976 -11.799 -99.200 -91.000 HIS 115 0.900 43.318 29.346 -6.419 -99.200 -91.000 HIS 129 0.900 27.863 22.944 13.943 -99.200 -91.000 PHE 132 1.000 28.349 19.578 10.604 -99.200 -91.000 TRP 139 1.040 54.131 14.009 -0.331 -99.200 -91.000 TRP6 139 1.020 53.483 16.151 -0.995 -99.200 -91.000 TRP 146 1.040 58.224 -1.938 19.452 -99.200 -91.000 TRP6 146 1.020 60.315 -2.841 20.112 -99.200 -91.000 PHE 183 1.000 39.931 21.476 14.989 -99.200 -91.000 TYR 187 0.840 36.356 7.678 11.008 -99.200 -91.000 PHE 206 1.000 39.966 18.716 10.287 -99.200 -91.000 TYR 212 0.840 26.201 27.199 4.666 -99.200 -91.000 TRP 216 1.040 37.820 22.555 -1.069 -99.200 -91.000 TRP6 216 1.020 37.434 20.561 0.136 -99.200 -91.000 TYR 217 0.840 35.678 29.265 3.993 -99.200 -91.000 TRP 224 1.040 48.850 18.050 20.867 -99.200 -91.000 TRP6 224 1.020 47.956 16.404 22.340 -99.200 -91.000 TYR 234 0.840 39.188 10.411 19.879 -99.200 -91.000 PHE 236 1.000 43.812 16.381 21.323 -99.200 -91.000 TYR 237 0.840 43.741 17.702 13.356 -99.200 -91.000 HIS 239 0.900 38.867 26.725 16.647 -99.200 -91.000 PHE 241 1.000 36.430 32.392 13.933 -99.200 -91.000 TRP 246 1.040 50.021 35.882 16.536 -99.200 -91.000 TRP6 246 1.020 50.908 34.453 14.882 -99.200 -91.000