============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 13 0.840 -14.264 36.176 -39.142 -99.200 -91.000 TYR 16 0.840 -13.203 40.635 -24.536 -99.200 -91.000 TYR 24 0.840 -11.089 51.063 -18.528 -99.200 -91.000 PHE 29 1.000 -14.451 45.200 -28.007 -99.200 -91.000 TYR 32 0.840 -11.376 40.653 -42.674 -99.200 -91.000 PHE 46 1.000 -18.598 54.855 -40.080 -99.200 -91.000 TYR 48 0.840 -14.984 52.948 -35.475 -99.200 -91.000 TYR 58 0.840 -22.242 35.407 -35.712 -99.200 -91.000 TRP 67 1.040 -36.008 38.474 -37.248 -99.200 -91.000 TRP6 67 1.020 -34.357 37.216 -38.404 -99.200 -91.000 HIS 77 0.900 -33.608 52.070 -36.688 -99.200 -91.000 TYR 90 0.840 -36.046 34.549 -49.231 -99.200 -91.000 PHE 98 1.000 -27.256 40.715 -44.508 -99.200 -91.000 PHE 102 1.000 -17.004 41.247 -44.175 -99.200 -91.000 TYR 111 0.840 -10.503 12.310 -43.423 -99.200 -91.000 TYR 131 0.840 -20.811 12.018 -43.222 -99.200 -91.000 PHE 142 1.000 -26.274 23.502 -46.875 -99.200 -91.000 PHE 143 1.000 -24.314 19.233 -44.549 -99.200 -91.000 TYR 151 0.840 -25.710 19.367 -50.217 -99.200 -91.000 TRP 155 1.040 -30.555 16.445 -40.427 -99.200 -91.000 TRP6 155 1.020 -29.163 17.276 -38.707 -99.200 -91.000 PHE 157 1.000 -22.704 8.887 -40.789 -99.200 -91.000 TYR 182 0.840 -15.887 14.021 -36.623 -99.200 -91.000 TYR 193 0.840 -7.805 31.442 -36.834 -99.200 -91.000 TYR 213 0.840 -18.461 35.114 -43.265 -99.200 -91.000 TYR 223 0.840 -24.390 55.739 -42.244 -99.200 -91.000 HIS 241 0.900 -4.511 38.404 -50.555 -99.200 -91.000 TRP 247 1.040 -6.562 40.809 -38.566 -99.200 -91.000 TRP6 247 1.020 -5.986 40.930 -36.262 -99.200 -91.000 TRP 248 1.040 -8.330 33.101 -41.937 -99.200 -91.000 TRP6 248 1.020 -9.685 35.005 -41.506 -99.200 -91.000