============================================================================= 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. HIS 20 0.900 117.380 44.291 1.672 -99.200 -91.000 TYR 78 0.840 113.015 47.762 18.429 -99.200 -91.000 TYR 102 0.840 104.862 41.267 16.948 -99.200 -91.000 TRP 108 1.040 122.913 35.241 18.200 -99.200 -91.000 TRP6 108 1.020 124.363 33.878 16.897 -99.200 -91.000 HIS 120 0.900 126.401 44.359 14.406 -99.200 -91.000 TYR 124 0.840 123.564 37.347 13.781 -99.200 -91.000 HIS 132 0.900 136.218 26.301 8.007 -99.200 -91.000 PHE 151 1.000 121.308 43.638 3.720 -99.200 -91.000 PHE 157 1.000 115.500 32.067 3.948 -99.200 -91.000 TRP 167 1.040 98.638 30.227 0.547 -99.200 -91.000 TRP6 167 1.020 97.596 30.265 -1.559 -99.200 -91.000 TRP 194 1.040 124.245 22.917 5.490 -99.200 -91.000 TRP6 194 1.020 125.589 21.975 7.201 -99.200 -91.000 TRP 202 1.040 131.249 22.701 -0.372 -99.200 -91.000 TRP6 202 1.020 131.365 24.075 -2.295 -99.200 -91.000 TYR 217 0.840 135.633 24.084 -13.658 -99.200 -91.000 TYR 218 0.840 131.726 29.530 -10.156 -99.200 -91.000 TYR 221 0.840 141.732 32.669 -14.237 -99.200 -91.000 TYR 228 0.840 141.077 42.043 -10.156 -99.200 -91.000 PHE 238 1.000 127.409 26.844 -21.319 -99.200 -91.000 TYR 239 0.840 137.860 24.121 -19.711 -99.200 -91.000 TRP 262 1.040 141.021 21.625 -11.362 -99.200 -91.000 TRP6 262 1.020 139.407 21.769 -9.625 -99.200 -91.000 PHE 273 1.000 140.818 34.688 -18.864 -99.200 -91.000 HIS 276 0.900 145.757 40.724 -25.697 -99.200 -91.000 HIS 280 0.900 142.062 41.139 -26.226 -99.200 -91.000 TRP 281 1.040 141.196 38.935 -21.556 -99.200 -91.000 TRP6 281 1.020 141.952 37.590 -23.348 -99.200 -91.000 PHE 285 1.000 136.499 34.866 -23.813 -99.200 -91.000 PHE 298 1.000 129.659 48.254 -5.152 -99.200 -91.000 HIS 302 0.900 127.624 55.141 -14.620 -99.200 -91.000 HIS 306 0.900 121.577 42.080 -19.737 -99.200 -91.000 PHE 313 1.000 122.241 49.224 -10.356 -99.200 -91.000 TYR 314 0.840 115.933 54.596 -8.228 -99.200 -91.000 TRP 320 1.040 124.103 55.693 -11.679 -99.200 -91.000 TRP6 320 1.020 122.435 55.708 -13.367 -99.200 -91.000 PHE 328 1.000 106.196 41.320 -9.047 -99.200 -91.000 TRP 352 1.040 97.179 53.206 6.748 -99.200 -91.000 TRP6 352 1.020 98.761 51.956 7.973 -99.200 -91.000