============================================================================= 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 12 0.840 13.359 18.704 24.533 -99.200 -91.000 TYR 22 0.840 24.231 13.687 20.207 -99.200 -91.000 HIS 24 0.900 20.041 17.779 17.371 -99.200 -91.000 TRP 40 1.040 25.571 23.891 19.863 -99.200 -91.000 TRP6 40 1.020 23.380 24.808 20.011 -99.200 -91.000 HIS 51 0.900 31.334 32.727 11.499 -99.200 -91.000 TYR 54 0.840 25.530 25.220 -2.034 -99.200 -91.000 TYR 67 0.840 28.136 28.617 22.653 -99.200 -91.000 TYR 77 0.840 23.243 16.019 3.000 -99.200 -91.000 TRP 88 1.040 14.000 35.456 -8.767 -99.200 -91.000 TRP6 88 1.020 15.129 37.461 -8.198 -99.200 -91.000 TYR 100 0.840 10.619 20.587 29.026 -99.200 -91.000 TRP 109 1.040 21.000 37.010 9.369 -99.200 -91.000 TRP6 109 1.020 18.757 37.416 8.696 -99.200 -91.000 PHE 111 1.000 22.145 35.656 2.073 -99.200 -91.000 HIS 127 0.900 27.225 42.196 3.235 -99.200 -91.000 PHE 128 1.000 20.709 40.226 5.058 -99.200 -91.000 PHE 130 1.000 19.948 43.486 8.815 -99.200 -91.000 HIS 131 0.900 28.295 44.646 12.347 -99.200 -91.000 PHE 133 1.000 18.905 42.272 14.192 -99.200 -91.000 PHE 175 1.000 17.560 42.242 3.215 -99.200 -91.000 TYR 176 0.840 9.956 44.504 2.620 -99.200 -91.000 HIS 180 0.900 18.107 35.550 -10.220 -99.200 -91.000 TRP 182 1.040 20.841 27.711 -11.059 -99.200 -91.000 TRP6 182 1.020 23.210 27.542 -10.946 -99.200 -91.000 PHE 191 1.000 23.627 29.557 0.836 -99.200 -91.000 PHE 195 1.000 22.467 32.370 13.489 -99.200 -91.000 PHE 197 1.000 24.035 31.009 18.984 -99.200 -91.000 PHE 212 1.000 20.784 31.531 6.560 -99.200 -91.000 PHE 213 1.000 13.384 30.502 7.390 -99.200 -91.000 PHE 233 1.000 11.204 21.473 7.620 -99.200 -91.000