============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -6.348 7.087 0.260 -99.200 -91.000 TYR 31 0.840 -6.778 7.201 -9.212 -99.200 -91.000 TRP 32 1.040 -13.383 0.913 -10.731 -99.200 -91.000 TRP6 32 1.020 -13.217 -1.342 -9.940 -99.200 -91.000 TYR 33 0.840 -5.364 1.831 -13.235 -99.200 -91.000 HIS 39 0.900 4.655 -7.936 -17.378 -99.200 -91.000 HIS 45 0.900 -16.240 1.742 -15.221 -99.200 -91.000 TYR 46 0.840 -9.466 8.111 -13.699 -99.200 -91.000 TYR 48 0.840 -13.014 11.915 -10.182 -99.200 -91.000 TYR 62 0.840 -16.931 -3.631 -17.858 -99.200 -91.000 PHE 72 1.000 -16.899 3.907 -7.981 -99.200 -91.000 TYR 87 0.840 -13.664 -6.800 -14.022 -99.200 -91.000 PHE 88 1.000 -6.064 -6.027 -8.750 -99.200 -91.000 PHE 100 1.000 -2.346 3.700 0.215 -99.200 -91.000 PHE 101 1.000 -4.125 -2.868 -5.139 -99.200 -91.000 TYR 114 0.840 -20.902 -22.728 -34.308 -99.200 -91.000 TRP 150 1.040 22.864 -14.297 -9.981 -99.200 -91.000 TRP6 150 1.020 22.154 -14.452 -12.265 -99.200 -91.000 TYR 161 0.840 10.879 8.560 -22.943 -99.200 -91.000 PHE 166 1.000 1.448 10.441 -21.395 -99.200 -91.000 TYR 168 0.840 1.556 11.753 -12.251 -99.200 -91.000 PHE 169 1.000 6.603 9.575 -17.398 -99.200 -91.000 TRP 171 1.040 8.937 4.049 -12.736 -99.200 -91.000 TRP6 171 1.020 10.966 2.774 -12.683 -99.200 -91.000 TYR 172 0.840 0.020 0.896 -9.193 -99.200 -91.000 PHE 175 1.000 6.127 -7.160 -5.052 -99.200 -91.000 PHE 198 1.000 13.275 3.789 -5.708 -99.200 -91.000 PHE 201 1.000 21.603 7.143 -12.876 -99.200 -91.000 PHE 202 1.000 16.431 12.784 -20.310 -99.200 -91.000 HIS 212 0.900 22.158 2.704 -11.501 -99.200 -91.000 TYR 224 0.840 11.026 -2.391 -9.894 -99.200 -91.000 PHE 225 1.000 2.440 -3.722 -13.817 -99.200 -91.000 PHE 232 1.000 -4.013 12.238 -22.254 -99.200 -91.000 PHE 237 1.000 -1.592 -0.796 -20.609 -99.200 -91.000 TYR 248 0.840 8.556 -9.904 -0.247 -99.200 -91.000