============================================================================= 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. TYR 2 0.840 61.829 30.183 26.887 -99.200 -91.000 TYR 31 0.840 58.748 24.271 15.177 -99.200 -91.000 TRP 34 1.040 61.922 16.025 24.063 -99.200 -91.000 TRP6 34 1.020 61.779 16.120 26.425 -99.200 -91.000 TYR 35 0.840 69.584 17.603 21.395 -99.200 -91.000 TYR 36 0.840 70.248 7.768 25.969 -99.200 -91.000 TYR 48 0.840 63.296 16.357 13.381 -99.200 -91.000 PHE 51 1.000 54.922 16.256 15.142 -99.200 -91.000 TYR 85 0.840 65.993 9.697 28.101 -99.200 -91.000 TYR 86 0.840 71.049 16.738 29.665 -99.200 -91.000 TRP 90 1.040 66.727 26.814 18.704 -99.200 -91.000 TRP6 90 1.020 68.797 27.543 17.815 -99.200 -91.000 PHE 105 1.000 71.160 22.138 25.298 -99.200 -91.000 PHE 126 1.000 89.093 -1.430 56.620 -99.200 -91.000 PHE 147 1.000 75.239 1.975 46.978 -99.200 -91.000 TYR 148 0.840 68.809 -1.577 41.447 -99.200 -91.000 TRP 156 1.040 81.739 10.957 57.410 -99.200 -91.000 TRP6 156 1.020 83.072 9.016 57.627 -99.200 -91.000 TYR 180 0.840 74.224 1.794 40.814 -99.200 -91.000 TYR 185 0.840 88.273 7.808 51.036 -99.200 -91.000 TRP 193 1.040 92.018 8.203 65.701 -99.200 -91.000 TRP6 193 1.020 90.080 6.859 65.534 -99.200 -91.000 HIS 196 0.900 85.765 13.886 69.122 -99.200 -91.000 TYR 199 0.840 85.746 10.831 64.990 -99.200 -91.000 HIS 205 0.900 69.706 1.745 49.227 -99.200 -91.000