============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 8 1.000 41.313 -14.314 17.648 -99.200 -91.000 PHE 23 1.000 45.570 -5.367 12.706 -99.200 -91.000 HIS 27 0.900 41.967 -18.722 20.047 -99.200 -91.000 HIS 40 0.900 33.879 -1.115 7.792 -99.200 -91.000 HIS 59 0.900 36.069 -24.449 10.337 -99.200 -91.000 TYR 65 0.840 50.852 -28.761 -2.818 -99.200 -91.000 PHE 69 1.000 38.235 -20.698 8.065 -99.200 -91.000 TYR 70 0.840 44.611 -21.704 12.899 -99.200 -91.000 PHE 73 1.000 35.921 -13.601 15.074 -99.200 -91.000 TYR 74 0.840 29.534 -8.092 12.008 -99.200 -91.000 HIS 85 0.900 53.052 -15.664 11.417 -99.200 -91.000 TYR 119 0.840 42.109 -29.216 -1.624 -99.200 -91.000 HIS 124 0.900 36.937 -27.873 -0.991 -99.200 -91.000 HIS 128 0.900 43.374 -17.627 -5.668 -99.200 -91.000 PHE 149 1.000 41.004 -20.521 -1.168 -99.200 -91.000 TYR 166 0.840 49.427 -9.255 -10.633 -99.200 -91.000 HIS 176 0.900 30.449 -14.343 -22.395 -99.200 -91.000 TYR 177 0.840 35.724 -13.931 -14.884 -99.200 -91.000 TRP 184 1.040 46.657 -13.127 -18.075 -99.200 -91.000 TRP6 184 1.020 47.402 -12.789 -20.284 -99.200 -91.000 TYR 198 0.840 51.883 -5.577 -14.105 -99.200 -91.000 PHE 212 1.000 67.088 -10.850 -16.375 -99.200 -91.000 PHE 217 1.000 41.751 2.751 -23.060 -99.200 -91.000 TYR 222 0.840 51.573 -3.786 -24.018 -99.200 -91.000 PHE 236 1.000 64.403 -15.958 -16.501 -99.200 -91.000 PHE 240 1.000 60.169 -19.835 -15.602 -99.200 -91.000 PHE 243 1.000 54.464 -23.762 -16.351 -99.200 -91.000 HIS 264 0.900 55.718 -26.884 -20.193 -99.200 -91.000 PHE 266 1.000 59.422 -24.238 -14.975 -99.200 -91.000 PHE 277 1.000 60.300 -21.560 -0.957 -99.200 -91.000 TRP 280 1.040 66.401 -18.356 -2.780 -99.200 -91.000 TRP6 280 1.020 64.267 -17.301 -2.799 -99.200 -91.000