============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 19 0.840 7.764 2.771 15.275 -99.200 -91.000 PHE 31 1.000 -0.618 -14.059 8.764 -99.200 -91.000 TYR 49 0.840 2.775 2.256 26.786 -99.200 -91.000 PHE 61 1.000 -1.944 0.442 27.627 -99.200 -91.000 TRP 65 1.040 -2.014 0.227 22.425 -99.200 -91.000 TRP6 65 1.020 0.218 -0.492 22.256 -99.200 -91.000 PHE 70 1.000 -4.994 -3.403 12.779 -99.200 -91.000 PHE 72 1.000 -0.225 5.768 10.581 -99.200 -91.000 HIS 76 0.900 -6.927 -9.385 13.276 -99.200 -91.000 HIS 90 0.900 8.692 -17.681 -1.215 -99.200 -91.000 PHE 91 1.000 11.045 -16.005 6.065 -99.200 -91.000 PHE 101 1.000 -2.730 -16.744 5.141 -99.200 -91.000 TYR 125 0.840 -12.429 -13.590 42.668 -99.200 -91.000 TRP 126 1.040 -5.464 -13.848 34.284 -99.200 -91.000 TRP6 126 1.020 -3.892 -15.470 34.977 -99.200 -91.000 PHE 139 1.000 4.448 1.677 44.301 -99.200 -91.000 PHE 140 1.000 -1.979 -1.638 40.431 -99.200 -91.000 TYR 141 0.840 -1.911 -6.417 45.274 -99.200 -91.000 TYR 161 0.840 9.477 -6.576 42.277 -99.200 -91.000 TYR 170 0.840 1.064 -14.615 54.820 -99.200 -91.000 HIS 173 0.900 6.958 -25.807 46.176 -99.200 -91.000 PHE 178 1.000 10.407 -23.490 48.463 -99.200 -91.000 HIS 187 0.900 20.569 -14.198 48.598 -99.200 -91.000 PHE 196 1.000 10.467 -19.950 52.447 -99.200 -91.000 TYR 200 0.840 0.360 -24.775 54.698 -99.200 -91.000 PHE 233 1.000 -2.596 -17.389 44.904 -99.200 -91.000 PHE 234 1.000 1.581 -10.435 42.736 -99.200 -91.000 PHE 236 1.000 5.224 -15.002 39.987 -99.200 -91.000 TYR 239 0.840 6.839 -17.249 30.169 -99.200 -91.000 TYR 260 0.840 15.637 -20.903 30.462 -99.200 -91.000 PHE 267 1.000 21.769 -4.249 22.134 -99.200 -91.000 PHE 277 1.000 13.997 -8.828 10.111 -99.200 -91.000 PHE 285 1.000 19.637 -12.466 28.027 -99.200 -91.000 TYR 307 0.840 15.109 -9.346 4.066 -99.200 -91.000 HIS 310 0.900 19.787 -2.701 1.545 -99.200 -91.000 HIS 311 0.900 17.463 -8.903 0.971 -99.200 -91.000