============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 16 1.000 -49.914 13.667 -28.810 -99.200 -91.000 PHE 27 1.000 -44.330 -3.038 -25.309 -99.200 -91.000 TYR 31 0.840 -43.886 7.980 -23.369 -99.200 -91.000 TRP 35 1.040 -55.996 14.943 -28.484 -99.200 -91.000 TRP6 35 1.020 -58.029 14.161 -29.411 -99.200 -91.000 TYR 68 0.840 -57.297 -1.400 -42.283 -99.200 -91.000 HIS 77 0.900 -68.453 -4.638 -23.414 -99.200 -91.000 PHE 99 1.000 -58.945 1.263 -11.761 -99.200 -91.000 TYR 105 0.840 -58.223 -5.036 -11.026 -99.200 -91.000 HIS 109 0.900 -56.088 -5.168 -7.168 -99.200 -91.000 TYR 117 0.840 -66.114 -6.469 -9.340 -99.200 -91.000 TRP 121 1.040 -63.829 -8.211 -14.978 -99.200 -91.000 TRP6 121 1.020 -62.346 -8.920 -13.265 -99.200 -91.000 TYR 131 0.840 -67.721 -4.472 -32.955 -99.200 -91.000 HIS 139 0.900 -57.198 -10.240 -30.200 -99.200 -91.000 HIS 154 0.900 -66.519 -0.557 -19.907 -99.200 -91.000 PHE 160 1.000 -58.163 -5.156 -31.523 -99.200 -91.000 TYR 173 0.840 -53.984 -14.722 -41.606 -99.200 -91.000 HIS 174 0.900 -55.409 -21.216 -45.046 -99.200 -91.000 TRP 184 1.040 -53.253 -17.454 -23.644 -99.200 -91.000 TRP6 184 1.020 -51.032 -17.656 -22.829 -99.200 -91.000 HIS 192 0.900 -53.418 -28.920 -39.848 -99.200 -91.000 TYR 195 0.840 -53.615 -18.394 -36.201 -99.200 -91.000 HIS 197 0.900 -64.824 -14.925 -37.030 -99.200 -91.000 TRP 202 1.040 -57.696 -23.732 -27.520 -99.200 -91.000 TRP6 202 1.020 -57.968 -25.999 -28.146 -99.200 -91.000 TYR 204 0.840 -64.679 -16.276 -23.589 -99.200 -91.000 TRP 209 1.040 -57.230 -22.975 -16.447 -99.200 -91.000 TRP6 209 1.020 -54.985 -22.325 -16.073 -99.200 -91.000 PHE 214 1.000 -58.930 -15.755 -7.943 -99.200 -91.000 TYR 219 0.840 -51.504 -25.841 -21.529 -99.200 -91.000 TYR 248 0.840 -62.485 -28.036 -16.139 -99.200 -91.000 TRP 255 1.040 -59.794 -24.838 -23.779 -99.200 -91.000 TRP6 255 1.020 -59.603 -25.157 -21.441 -99.200 -91.000 PHE 265 1.000 -65.687 -15.364 -29.173 -99.200 -91.000 PHE 272 1.000 -68.654 -17.710 -19.043 -99.200 -91.000 TYR 282 0.840 -74.275 -20.783 -12.096 -99.200 -91.000 TYR 298 0.840 -63.567 14.448 -27.985 -99.200 -91.000