============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 17 1.000 -13.084 1.773 -11.256 -99.200 -91.000 PHE 27 1.000 -21.303 4.278 -21.335 -99.200 -91.000 TYR 38 0.840 -35.325 5.624 -20.012 -99.200 -91.000 TYR 54 0.840 -25.220 8.604 -32.424 -99.200 -91.000 HIS 58 0.900 -18.445 14.802 -38.324 -99.200 -91.000 TRP 64 1.040 -21.346 22.005 -24.300 -99.200 -91.000 TRP6 64 1.020 -19.376 20.960 -23.556 -99.200 -91.000 TRP 71 1.040 -18.505 13.170 -19.195 -99.200 -91.000 TRP6 71 1.020 -18.458 15.432 -19.847 -99.200 -91.000 HIS 72 0.900 -26.224 11.476 -12.981 -99.200 -91.000 HIS 73 0.900 -25.640 5.029 -17.991 -99.200 -91.000 PHE 75 1.000 -17.875 11.019 -13.267 -99.200 -91.000 TYR 76 0.840 -23.200 10.260 -9.745 -99.200 -91.000 HIS 86 0.900 -12.887 7.139 -7.007 -99.200 -91.000 PHE 109 1.000 -11.976 20.798 -11.055 -99.200 -91.000 PHE 112 1.000 -20.958 15.034 -13.597 -99.200 -91.000 TYR 118 0.840 -3.415 15.879 -17.971 -99.200 -91.000 TYR 128 0.840 2.476 9.888 -23.976 -99.200 -91.000 HIS 146 0.900 -8.874 14.271 -35.425 -99.200 -91.000 TYR 151 0.840 11.231 15.609 -32.040 -99.200 -91.000 TYR 154 0.840 4.657 17.768 -24.502 -99.200 -91.000 HIS 158 0.900 1.052 25.959 -36.513 -99.200 -91.000 TYR 173 0.840 -19.631 2.978 -50.363 -99.200 -91.000 TYR 183 0.840 -29.112 -8.475 -50.694 -99.200 -91.000 PHE 185 1.000 -29.384 -4.618 -45.538 -99.200 -91.000 TYR 203 0.840 -11.279 -8.407 -48.244 -99.200 -91.000 PHE 208 1.000 -11.525 -0.987 -55.185 -99.200 -91.000 TYR 225 0.840 -24.751 -10.744 -40.896 -99.200 -91.000 PHE 240 1.000 -12.899 -5.940 -53.019 -99.200 -91.000 PHE 247 1.000 -6.555 2.708 -47.668 -99.200 -91.000 PHE 251 1.000 -14.572 3.801 -54.034 -99.200 -91.000 HIS 260 0.900 -4.058 6.990 -50.113 -99.200 -91.000 TYR 264 0.840 4.052 12.558 -49.218 -99.200 -91.000 TYR 279 0.840 7.904 9.154 -44.617 -99.200 -91.000 TYR 291 0.840 -12.852 -1.666 -41.939 -99.200 -91.000 TYR 322 0.840 -11.548 -1.661 -25.880 -99.200 -91.000 TRP 325 1.040 -10.057 3.567 -20.463 -99.200 -91.000 TRP6 325 1.020 -8.925 1.984 -19.131 -99.200 -91.000 PHE 337 1.000 -1.878 12.612 -14.737 -99.200 -91.000 TRP 341 1.040 -3.980 14.096 -10.129 -99.200 -91.000 TRP6 341 1.020 -4.966 12.692 -11.774 -99.200 -91.000 TYR 347 0.840 -13.218 25.455 -11.836 -99.200 -91.000