============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 33 0.840 38.905 83.463 32.556 -99.200 -91.000 PHE 39 1.000 31.870 81.523 26.802 -99.200 -91.000 TYR 78 0.840 22.031 94.700 10.453 -99.200 -91.000 HIS 85 0.900 20.945 93.320 -4.352 -99.200 -91.000 TYR 102 0.840 28.616 95.274 4.107 -99.200 -91.000 PHE 124 1.000 33.099 73.310 6.264 -99.200 -91.000 PHE 133 1.000 29.384 75.340 14.027 -99.200 -91.000 HIS 170 0.900 47.311 73.142 4.022 -99.200 -91.000 TRP 183 1.040 34.263 87.234 0.730 -99.200 -91.000 TRP6 183 1.020 33.449 85.060 0.289 -99.200 -91.000 TRP 202 1.040 50.363 94.104 15.929 -99.200 -91.000 TRP6 202 1.020 50.016 92.589 17.710 -99.200 -91.000 TYR 213 0.840 19.686 85.585 28.701 -99.200 -91.000 TRP 223 1.040 48.369 87.485 8.853 -99.200 -91.000 TRP6 223 1.020 46.015 87.432 8.580 -99.200 -91.000 TYR 235 0.840 32.709 82.630 21.003 -99.200 -91.000 PHE 236 1.000 30.983 90.046 28.861 -99.200 -91.000