============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 3 0.900 17.599 -3.664 77.684 -99.200 -91.000 TYR 4 0.840 17.052 -10.744 73.616 -99.200 -91.000 PHE 10 1.000 27.442 -2.173 80.442 -99.200 -91.000 HIS 24 0.900 28.389 0.974 70.555 -99.200 -91.000 TYR 25 0.840 28.352 -3.212 72.781 -99.200 -91.000 TYR 47 0.840 29.527 -7.078 94.366 -99.200 -91.000 TYR 97 0.840 29.407 -16.790 88.042 -99.200 -91.000 HIS 118 0.900 32.272 -30.491 114.436 -99.200 -91.000 HIS 123 0.900 22.928 -20.060 121.928 -99.200 -91.000 TYR 124 0.840 17.229 -22.508 118.130 -99.200 -91.000 TYR 130 0.840 32.573 -23.692 117.257 -99.200 -91.000 TYR 132 0.840 34.901 -17.772 119.648 -99.200 -91.000 HIS 134 0.900 37.251 -15.081 116.516 -99.200 -91.000 HIS 135 0.900 38.329 -19.321 122.992 -99.200 -91.000 PHE 136 1.000 42.212 -23.470 119.080 -99.200 -91.000 TRP 140 1.040 42.944 -22.459 110.555 -99.200 -91.000 TRP6 140 1.020 44.323 -24.351 110.907 -99.200 -91.000 TYR 145 0.840 35.251 -25.029 110.541 -99.200 -91.000 TYR 155 0.840 32.153 -27.251 96.834 -99.200 -91.000 TYR 156 0.840 38.996 -19.244 96.339 -99.200 -91.000 TYR 164 0.840 41.647 -8.278 99.069 -99.200 -91.000 TYR 172 0.840 41.940 -22.739 99.143 -99.200 -91.000 TYR 173 0.840 46.800 -23.019 96.870 -99.200 -91.000 TRP 178 1.040 49.243 -23.130 109.023 -99.200 -91.000 TRP6 178 1.020 47.873 -21.233 109.345 -99.200 -91.000