============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 2 1.000 36.285 12.317 13.782 -99.200 -91.000 TYR 19 0.840 10.652 11.179 -18.315 -99.200 -91.000 TYR 38 0.840 1.412 -9.311 -5.425 -99.200 -91.000 TYR 48 0.840 19.079 -9.373 8.072 -99.200 -91.000 PHE 57 1.000 17.032 -6.888 -9.230 -99.200 -91.000 PHE 66 1.000 24.307 -11.311 -20.024 -99.200 -91.000 PHE 96 1.000 35.129 -10.402 -8.624 -99.200 -91.000 TRP 107 1.040 42.710 1.811 -19.741 -99.200 -91.000 TRP6 107 1.020 43.976 3.559 -20.733 -99.200 -91.000 TRP 113 1.040 27.554 9.466 -12.994 -99.200 -91.000 TRP6 113 1.020 27.879 7.588 -11.606 -99.200 -91.000 HIS 116 0.900 31.465 5.734 -14.907 -99.200 -91.000 PHE 120 1.000 35.285 2.053 -11.912 -99.200 -91.000 TYR 130 0.840 37.160 4.717 -23.442 -99.200 -91.000 TYR 132 0.840 32.330 7.856 -26.267 -99.200 -91.000 TYR 133 0.840 31.642 15.800 -27.957 -99.200 -91.000 HIS 138 0.900 28.257 19.317 -33.154 -99.200 -91.000 PHE 142 1.000 35.319 2.728 -33.558 -99.200 -91.000 PHE 160 1.000 34.112 -0.914 -23.944 -99.200 -91.000 HIS 161 0.900 29.152 5.914 -20.056 -99.200 -91.000 HIS 165 0.900 29.543 8.703 -23.257 -99.200 -91.000 TRP 177 1.040 27.869 -0.891 -29.099 -99.200 -91.000 TRP6 177 1.020 29.032 -0.458 -27.087 -99.200 -91.000 TRP 189 1.040 41.763 -3.707 -23.833 -99.200 -91.000 TRP6 189 1.020 40.592 -2.606 -25.589 -99.200 -91.000 PHE 193 1.000 29.467 -3.530 -22.553 -99.200 -91.000 PHE 195 1.000 22.236 -2.040 -20.914 -99.200 -91.000 TYR 197 0.840 21.196 6.844 -18.225 -99.200 -91.000 PHE 200 1.000 15.101 6.218 -19.876 -99.200 -91.000 PHE 214 1.000 32.782 -5.138 -25.994 -99.200 -91.000 HIS 218 0.900 35.112 -9.630 -24.715 -99.200 -91.000 TYR 227 0.840 16.688 -3.294 -13.269 -99.200 -91.000 PHE 230 1.000 11.500 -1.532 -13.765 -99.200 -91.000 TYR 233 0.840 14.905 8.659 -11.045 -99.200 -91.000 PHE 254 1.000 27.291 -13.860 -7.524 -99.200 -91.000 TYR 265 0.840 25.354 -3.804 -0.403 -99.200 -91.000 HIS 271 0.900 8.998 -0.819 -1.560 -99.200 -91.000 TRP 289 1.040 9.098 -0.869 -16.653 -99.200 -91.000 TRP6 289 1.020 10.448 -2.396 -17.879 -99.200 -91.000 PHE 307 1.000 17.939 22.396 -27.249 -99.200 -91.000 PHE 320 1.000 22.319 24.510 -31.335 -99.200 -91.000 PHE 322 1.000 24.824 19.133 -31.737 -99.200 -91.000 PHE 330 1.000 22.060 13.158 -18.333 -99.200 -91.000 PHE 332 1.000 29.614 17.170 -23.465 -99.200 -91.000 PHE 347 1.000 19.343 35.293 -21.125 -99.200 -91.000 TYR 350 0.840 20.129 27.663 -12.204 -99.200 -91.000