============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 8 0.840 106.865 92.115 -42.926 -99.200 -91.000 TYR 12 0.840 98.407 93.872 -48.398 -99.200 -91.000 PHE 14 1.000 98.174 90.752 -39.139 -99.200 -91.000 PHE 18 1.000 95.729 91.096 -27.996 -99.200 -91.000 HIS 20 0.900 91.728 98.701 -23.896 -99.200 -91.000 TYR 31 0.840 97.393 92.588 -24.838 -99.200 -91.000 PHE 39 1.000 98.202 87.633 -17.504 -99.200 -91.000 TRP 51 1.040 92.732 96.896 -34.979 -99.200 -91.000 TRP6 51 1.020 91.080 98.540 -35.360 -99.200 -91.000 TYR 68 0.840 106.392 74.734 -24.737 -99.200 -91.000 HIS 73 0.900 111.749 74.169 -21.864 -99.200 -91.000 HIS 83 0.900 92.328 65.115 -18.500 -99.200 -91.000 HIS 84 0.900 92.927 69.497 -20.336 -99.200 -91.000 HIS 98 0.900 96.017 71.173 -34.341 -99.200 -91.000 TYR 110 0.840 91.427 73.590 -36.040 -99.200 -91.000 PHE 117 1.000 107.264 65.647 -37.503 -99.200 -91.000 HIS 119 0.900 99.706 70.007 -32.882 -99.200 -91.000 HIS 138 0.900 84.994 86.198 -31.586 -99.200 -91.000 TYR 139 0.840 92.966 82.972 -32.745 -99.200 -91.000 TYR 141 0.840 95.305 80.646 -26.507 -99.200 -91.000 TYR 144 0.840 93.170 75.169 -16.432 -99.200 -91.000 PHE 175 1.000 98.233 86.711 -28.589 -99.200 -91.000