============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 15 1.000 5.764 14.261 -8.216 -99.200 -91.000 TYR 16 0.840 -0.310 7.711 -13.633 -99.200 -91.000 TYR 17 0.840 -2.684 7.230 -7.328 -99.200 -91.000 PHE 19 1.000 -2.140 -0.560 -4.431 -99.200 -91.000 TRP 20 1.040 -2.881 -5.211 -10.945 -99.200 -91.000 TRP6 20 1.020 -1.355 -6.991 -10.569 -99.200 -91.000 PHE 29 1.000 0.899 3.089 -4.042 -99.200 -91.000 TYR 37 0.840 5.982 4.705 -4.088 -99.200 -91.000 TRP 41 1.040 5.567 -6.794 -0.421 -99.200 -91.000 TRP6 41 1.020 7.107 -4.991 -0.639 -99.200 -91.000 TRP 47 1.040 3.162 -4.909 -3.906 -99.200 -91.000 TRP6 47 1.020 3.290 -2.547 -4.008 -99.200 -91.000 TRP 53 1.040 6.567 12.860 -14.384 -99.200 -91.000 TRP6 53 1.020 8.289 11.839 -13.091 -99.200 -91.000 TYR 63 0.840 15.596 5.335 -6.854 -99.200 -91.000 PHE 67 1.000 13.162 -3.222 -2.701 -99.200 -91.000 TYR 74 0.840 11.138 -7.837 -9.677 -99.200 -91.000 TYR 78 0.840 5.730 -1.454 -14.186 -99.200 -91.000 TRP 80 1.040 2.692 -0.876 -18.541 -99.200 -91.000 TRP6 80 1.020 2.286 -3.054 -19.415 -99.200 -91.000 TYR 88 0.840 9.674 1.886 -19.503 -99.200 -91.000 TYR 89 0.840 9.610 -4.593 -14.503 -99.200 -91.000 TRP 94 1.040 18.110 -8.597 -6.902 -99.200 -91.000 TRP6 94 1.020 19.740 -7.264 -7.995 -99.200 -91.000 TRP 97 1.040 13.889 -15.440 -8.797 -99.200 -91.000 TRP6 97 1.020 13.128 -14.380 -10.789 -99.200 -91.000 PHE 106 1.000 23.956 -10.254 -21.120 -99.200 -91.000 TYR 117 0.840 21.362 0.146 -14.206 -99.200 -91.000 TYR 120 0.840 19.022 -10.019 -18.020 -99.200 -91.000 PHE 136 1.000 2.932 -7.607 -21.579 -99.200 -91.000 TYR 137 0.840 9.059 -9.491 -28.093 -99.200 -91.000 TYR 139 0.840 11.612 -3.311 -25.182 -99.200 -91.000 TRP 140 1.040 12.799 -7.598 -17.720 -99.200 -91.000 TRP6 140 1.020 12.034 -7.499 -15.457 -99.200 -91.000 HIS 157 0.900 19.126 2.266 -17.838 -99.200 -91.000 PHE 158 1.000 13.256 5.456 -22.133 -99.200 -91.000 TRP 161 1.040 16.563 -0.978 -22.415 -99.200 -91.000 TRP6 161 1.020 14.647 -0.134 -21.303 -99.200 -91.000 HIS 171 0.900 8.140 6.423 -23.382 -99.200 -91.000 TYR 173 0.840 1.700 2.817 -15.670 -99.200 -91.000 TYR 181 0.840 5.532 -14.204 -8.048 -99.200 -91.000