============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 7 1.000 -10.725 6.834 -30.202 -99.200 -91.000 PHE 25 1.000 -18.320 2.218 -30.004 -99.200 -91.000 HIS 27 0.900 -21.922 11.657 -25.323 -99.200 -91.000 TYR 36 0.840 -14.504 7.995 -32.682 -99.200 -91.000 PHE 43 1.000 -6.932 7.117 -34.126 -99.200 -91.000 TYR 51 0.840 -2.036 6.319 -32.297 -99.200 -91.000 TYR 52 0.840 -4.884 -0.399 -24.230 -99.200 -91.000 PHE 53 1.000 -6.468 2.212 -31.647 -99.200 -91.000 TYR 55 0.840 -14.644 -4.115 -27.227 -99.200 -91.000 HIS 56 0.900 -13.984 -1.172 -20.623 -99.200 -91.000 PHE 80 1.000 -10.756 -8.563 -28.154 -99.200 -91.000 TYR 83 0.840 -21.229 -16.740 -27.903 -99.200 -91.000 TYR 85 0.840 -30.320 -19.360 -22.973 -99.200 -91.000 PHE 88 1.000 -29.979 -6.341 -19.079 -99.200 -91.000 PHE 106 1.000 -13.175 -0.190 -39.444 -99.200 -91.000 PHE 125 1.000 -13.017 2.309 -30.939 -99.200 -91.000 PHE 128 1.000 -4.149 5.210 -23.928 -99.200 -91.000 PHE 131 1.000 5.672 4.753 -25.437 -99.200 -91.000