============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 39.971 41.580 9.064 -99.200 -91.000 PHE 29 1.000 36.803 45.838 5.714 -99.200 -91.000 TYR 32 0.840 43.619 39.821 5.319 -99.200 -91.000 TRP 36 1.040 28.503 39.984 1.910 -99.200 -91.000 TRP6 36 1.020 27.456 40.058 4.032 -99.200 -91.000 TRP 47 1.040 31.536 33.237 -3.640 -99.200 -91.000 TRP6 47 1.020 31.464 33.558 -5.984 -99.200 -91.000 TYR 50 0.840 37.321 37.278 -4.157 -99.200 -91.000 TYR 59 0.840 36.253 38.864 -9.289 -99.200 -91.000 TYR 60 0.840 28.376 40.381 -7.534 -99.200 -91.000 PHE 68 1.000 21.586 38.542 -3.588 -99.200 -91.000 TYR 80 0.840 28.163 48.885 3.965 -99.200 -91.000 TYR 93 0.840 21.976 35.828 2.278 -99.200 -91.000 TYR 94 0.840 27.025 31.375 7.619 -99.200 -91.000 PHE 101 1.000 44.001 34.661 -6.006 -99.200 -91.000 PHE 105 1.000 51.308 27.606 2.058 -99.200 -91.000 TYR 107 0.840 46.832 31.838 3.188 -99.200 -91.000 TRP 112 1.040 33.310 31.201 6.419 -99.200 -91.000 TRP6 112 1.020 31.625 30.077 5.181 -99.200 -91.000 TYR 131 0.840 1.792 29.808 25.542 -99.200 -91.000 TYR 152 0.840 9.337 30.943 16.079 -99.200 -91.000 PHE 153 1.000 7.113 33.065 7.963 -99.200 -91.000 TRP 161 1.040 16.984 28.389 29.534 -99.200 -91.000 TRP6 161 1.020 14.823 28.089 30.461 -99.200 -91.000 HIS 171 0.900 20.165 18.829 26.106 -99.200 -91.000 PHE 173 1.000 15.072 19.863 22.882 -99.200 -91.000 TYR 182 0.840 9.473 28.185 10.698 -99.200 -91.000 TRP 195 1.040 12.187 26.651 39.467 -99.200 -91.000 TRP6 195 1.020 10.481 25.015 39.569 -99.200 -91.000 HIS 206 0.900 9.646 36.406 15.580 -99.200 -91.000