============================================================================= 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 27 0.840 -15.636 0.556 -28.056 -99.200 -91.000 PHE 29 1.000 -19.383 -5.166 -28.269 -99.200 -91.000 TYR 32 0.840 -10.512 -1.051 -30.378 -99.200 -91.000 HIS 35 0.900 -8.901 -8.399 -21.751 -99.200 -91.000 TRP 36 1.040 -16.432 -10.025 -18.902 -99.200 -91.000 TRP6 36 1.020 -18.191 -8.740 -17.987 -99.200 -91.000 TRP 47 1.040 -7.671 -10.932 -17.558 -99.200 -91.000 TRP6 47 1.020 -6.672 -12.687 -18.778 -99.200 -91.000 TRP 50 1.040 -9.497 -12.633 -24.877 -99.200 -91.000 TRP6 50 1.020 -7.981 -14.293 -24.155 -99.200 -91.000 TYR 60 0.840 -14.872 -18.598 -19.958 -99.200 -91.000 PHE 64 1.000 -12.420 -16.128 -12.100 -99.200 -91.000 PHE 68 1.000 -17.052 -17.973 -12.705 -99.200 -91.000 PHE 70 1.000 -15.543 -14.151 -19.682 -99.200 -91.000 PHE 80 1.000 -25.711 -9.491 -22.536 -99.200 -91.000 TYR 94 0.840 -18.120 -11.144 -10.430 -99.200 -91.000 PHE 95 1.000 -14.487 -3.204 -10.935 -99.200 -91.000 TYR 107 0.840 -10.520 3.809 -23.291 -99.200 -91.000 TRP 108 1.040 -10.188 -0.585 -16.003 -99.200 -91.000 TRP6 108 1.020 -10.090 -2.515 -14.650 -99.200 -91.000 TYR 127 0.840 -29.250 -5.323 21.435 -99.200 -91.000 TYR 150 0.840 -27.182 -4.364 9.238 -99.200 -91.000 PHE 151 1.000 -28.968 -10.060 3.215 -99.200 -91.000 TRP 159 1.040 -23.953 8.538 16.808 -99.200 -91.000 TRP6 159 1.020 -24.505 7.545 18.875 -99.200 -91.000 HIS 169 0.900 -13.891 7.486 14.948 -99.200 -91.000 PHE 171 1.000 -15.658 1.460 14.706 -99.200 -91.000 TYR 180 0.840 -23.859 -7.747 5.590 -99.200 -91.000 TRP 193 1.040 -24.789 11.294 27.439 -99.200 -91.000 TRP6 193 1.020 -23.696 9.824 28.925 -99.200 -91.000 HIS 204 0.900 -32.337 -3.104 7.184 -99.200 -91.000