============================================================================= 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. PHE 29 1.000 39.935 37.652 146.822 -99.200 -91.000 TYR 32 0.840 38.839 44.186 151.169 -99.200 -91.000 TRP 36 1.040 42.253 43.538 137.302 -99.200 -91.000 TRP6 36 1.020 44.505 42.818 137.256 -99.200 -91.000 TRP 47 1.040 37.140 51.187 137.454 -99.200 -91.000 TRP6 47 1.020 35.167 50.179 136.659 -99.200 -91.000 PHE 55 1.000 27.850 40.355 144.217 -99.200 -91.000 TYR 60 0.840 34.533 42.207 131.919 -99.200 -91.000 PHE 64 1.000 39.051 48.825 128.175 -99.200 -91.000 TYR 80 0.840 44.566 34.265 138.476 -99.200 -91.000 TYR 93 0.840 47.195 46.847 131.636 -99.200 -91.000 PHE 94 1.000 48.989 51.596 138.701 -99.200 -91.000 HIS 100 0.900 31.123 53.133 145.815 -99.200 -91.000 TRP 105 1.040 45.562 53.004 143.947 -99.200 -91.000 TRP6 105 1.020 44.792 53.278 141.728 -99.200 -91.000 PHE 124 1.000 75.707 55.653 116.775 -99.200 -91.000 TYR 147 0.840 66.938 51.472 124.651 -99.200 -91.000 PHE 148 1.000 60.893 45.310 123.135 -99.200 -91.000 TRP 156 1.040 77.041 61.407 131.531 -99.200 -91.000 TRP6 156 1.020 78.085 61.692 129.417 -99.200 -91.000 HIS 166 0.900 69.184 68.799 132.419 -99.200 -91.000 PHE 168 1.000 66.965 65.875 127.280 -99.200 -91.000 TYR 178 0.840 60.853 51.529 124.288 -99.200 -91.000 TYR 196 0.840 84.131 66.178 130.512 -99.200 -91.000 HIS 202 0.900 68.839 46.801 127.032 -99.200 -91.000