============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 7 1.040 13.071 -23.146 -6.907 -99.200 -91.000 TRP6 7 1.020 14.334 -22.928 -8.864 -99.200 -91.000 TRP 26 1.040 -5.556 -36.244 -3.821 -99.200 -91.000 TRP6 26 1.020 -5.542 -37.094 -6.017 -99.200 -91.000 PHE 28 1.000 -6.194 -27.714 -6.194 -99.200 -91.000 TRP 38 1.040 5.148 -27.044 -19.630 -99.200 -91.000 TRP6 38 1.020 5.864 -28.837 -21.000 -99.200 -91.000 PHE 39 1.000 9.114 -20.255 -15.499 -99.200 -91.000 HIS 43 0.900 8.423 -26.628 -21.944 -99.200 -91.000 PHE 72 1.000 4.287 -36.165 -9.090 -99.200 -91.000 TRP 74 1.040 -4.400 -42.131 -13.804 -99.200 -91.000 TRP6 74 1.020 -4.767 -40.170 -15.052 -99.200 -91.000 TYR 84 0.840 -5.774 -34.312 -20.801 -99.200 -91.000 TYR 89 0.840 -10.727 -33.150 -16.973 -99.200 -91.000 TYR 91 0.840 -10.887 -28.056 -7.933 -99.200 -91.000 HIS 106 0.900 -10.590 -33.035 -20.882 -99.200 -91.000 HIS 115 0.900 6.953 -40.488 -8.917 -99.200 -91.000 TRP 128 1.040 16.130 -33.215 -6.620 -99.200 -91.000 TRP6 128 1.020 14.192 -32.200 -7.455 -99.200 -91.000 TRP 144 1.040 0.193 -26.518 8.695 -99.200 -91.000 TRP6 144 1.020 0.687 -26.752 6.416 -99.200 -91.000 TYR 147 0.840 1.201 -19.498 8.991 -99.200 -91.000 HIS 162 0.900 -3.473 -29.989 3.081 -99.200 -91.000 TYR 169 0.840 17.003 -23.712 0.994 -99.200 -91.000 TYR 177 0.840 11.828 -18.508 6.229 -99.200 -91.000 TRP 178 1.040 11.486 -27.149 5.010 -99.200 -91.000 TRP6 178 1.020 12.815 -27.599 3.097 -99.200 -91.000 TRP 184 1.040 -6.310 -25.227 2.711 -99.200 -91.000 TRP6 184 1.020 -5.519 -25.461 4.919 -99.200 -91.000 TRP 188 1.040 -4.164 -20.849 6.026 -99.200 -91.000 TRP6 188 1.020 -2.161 -21.777 5.249 -99.200 -91.000 TYR 193 0.840 3.298 -19.267 -1.582 -99.200 -91.000