============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 16 1.040 -24.582 39.085 -1.200 -99.200 -91.000 TRP6 16 1.020 -26.929 38.749 -1.032 -99.200 -91.000 HIS 25 0.900 -32.820 41.367 -9.385 -99.200 -91.000 TRP 30 1.040 -18.025 53.488 -5.998 -99.200 -91.000 TRP6 30 1.020 -19.377 54.861 -7.410 -99.200 -91.000 TYR 37 0.840 -12.707 45.311 -17.402 -99.200 -91.000 PHE 50 1.000 -21.811 35.417 -13.535 -99.200 -91.000 PHE 61 1.000 -25.968 50.472 -12.375 -99.200 -91.000 TRP 75 1.040 -10.396 47.000 8.227 -99.200 -91.000 TRP6 75 1.020 -9.121 47.929 6.461 -99.200 -91.000 HIS 98 0.900 -20.164 45.625 9.256 -99.200 -91.000 HIS 121 0.900 -24.825 32.234 1.164 -99.200 -91.000 HIS 132 0.900 -21.629 30.187 -2.444 -99.200 -91.000 HIS 139 0.900 -30.652 35.285 10.631 -99.200 -91.000 TYR 150 0.840 -36.730 50.648 3.837 -99.200 -91.000 TYR 152 0.840 -38.525 47.106 -0.463 -99.200 -91.000 TRP 166 1.040 -37.679 42.837 8.239 -99.200 -91.000 TRP6 166 1.020 -36.301 44.642 7.532 -99.200 -91.000 HIS 167 0.900 -34.405 38.110 12.064 -99.200 -91.000 TRP 175 1.040 -25.404 43.297 21.161 -99.200 -91.000 TRP6 175 1.020 -23.277 43.835 22.082 -99.200 -91.000 TRP 191 1.040 -3.832 29.477 21.325 -99.200 -91.000 TRP6 191 1.020 -5.938 28.986 22.279 -99.200 -91.000 HIS 200 0.900 -8.513 19.473 21.360 -99.200 -91.000 HIS 201 0.900 -7.131 25.624 23.543 -99.200 -91.000 HIS 221 0.900 -30.312 43.174 22.789 -99.200 -91.000 HIS 222 0.900 -34.368 39.270 29.498 -99.200 -91.000 TYR 231 0.840 -24.282 31.112 17.485 -99.200 -91.000 HIS 255 0.900 -6.401 47.047 10.084 -99.200 -91.000 TYR 260 0.840 -14.838 48.923 13.008 -99.200 -91.000 PHE 264 1.000 -19.911 47.449 19.252 -99.200 -91.000 HIS 272 0.900 -23.330 49.798 29.147 -99.200 -91.000 PHE 283 1.000 -8.064 46.073 20.842 -99.200 -91.000 TYR 293 0.840 0.350 41.424 9.783 -99.200 -91.000