============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 27 1.000 -35.759 -0.202 54.956 -99.200 -91.000 PHE 29 1.000 -33.714 -2.801 60.801 -99.200 -91.000 TRP 33 1.040 -23.429 -1.628 55.932 -99.200 -91.000 TRP6 33 1.020 -21.243 -0.735 55.810 -99.200 -91.000 TRP 36 1.040 -28.801 6.000 65.746 -99.200 -91.000 TRP6 36 1.020 -30.972 6.897 66.012 -99.200 -91.000 TRP 47 1.040 -21.952 8.843 60.566 -99.200 -91.000 TRP6 47 1.020 -20.089 7.770 61.549 -99.200 -91.000 TYR 62 0.840 -20.319 3.831 68.533 -99.200 -91.000 PHE 70 1.000 -24.395 10.138 72.215 -99.200 -91.000 TYR 82 0.840 -33.553 -0.851 70.178 -99.200 -91.000 TYR 96 0.840 -29.064 13.083 68.872 -99.200 -91.000 PHE 103 1.000 -27.336 -1.078 46.176 -99.200 -91.000 TYR 113 0.840 -17.076 -0.148 38.981 -99.200 -91.000 TRP 117 1.040 -31.823 11.187 54.313 -99.200 -91.000 TRP6 117 1.020 -30.192 12.556 55.340 -99.200 -91.000 PHE 136 1.000 -38.001 43.079 82.336 -99.200 -91.000 TYR 159 0.840 -40.627 32.056 75.876 -99.200 -91.000 PHE 160 1.000 -37.350 24.392 78.678 -99.200 -91.000 TRP 168 1.040 -49.184 43.745 70.761 -99.200 -91.000 TRP6 168 1.020 -48.069 45.254 72.205 -99.200 -91.000 HIS 178 0.900 -42.547 41.274 62.258 -99.200 -91.000 PHE 180 1.000 -39.479 41.072 64.783 -99.200 -91.000 TYR 190 0.840 -36.772 28.043 73.547 -99.200 -91.000 TYR 208 0.840 -51.214 51.835 71.196 -99.200 -91.000 HIS 214 0.900 -44.425 29.488 79.336 -99.200 -91.000