============================================================================= 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. HIS 34 0.900 45.491 26.845 43.067 -99.200 -91.000 TRP 35 1.040 52.225 28.128 48.072 -99.200 -91.000 TRP6 35 1.020 54.499 27.539 48.264 -99.200 -91.000 TYR 36 0.840 47.440 21.136 46.241 -99.200 -91.000 TRP 47 1.040 48.822 24.776 54.854 -99.200 -91.000 TRP6 47 1.020 47.586 23.159 56.056 -99.200 -91.000 TYR 49 0.840 41.262 29.707 48.143 -99.200 -91.000 PHE 62 1.000 50.980 27.250 57.757 -99.200 -91.000 TYR 71 0.840 53.198 33.120 42.220 -99.200 -91.000 TYR 86 0.840 54.370 23.325 54.424 -99.200 -91.000 TYR 87 0.840 54.948 18.026 47.371 -99.200 -91.000 HIS 89 0.900 48.962 21.922 40.630 -99.200 -91.000 TYR 91 0.840 43.492 23.549 37.058 -99.200 -91.000 HIS 92 0.900 48.388 30.868 33.720 -99.200 -91.000 TYR 96 0.840 46.428 21.771 34.225 -99.200 -91.000 PHE 98 1.000 51.105 18.838 41.763 -99.200 -91.000 PHE 118 1.000 73.231 -4.937 67.082 -99.200 -91.000 PHE 135 1.000 70.004 -1.810 64.317 -99.200 -91.000 PHE 139 1.000 71.923 10.254 62.589 -99.200 -91.000 TYR 140 0.840 68.810 18.259 63.668 -99.200 -91.000 TRP 148 1.040 78.829 -1.612 56.357 -99.200 -91.000 TRP6 148 1.020 78.985 -2.933 58.315 -99.200 -91.000 TRP 163 1.040 69.340 7.775 56.238 -99.200 -91.000 TRP6 163 1.020 69.706 6.651 54.184 -99.200 -91.000 TYR 173 0.840 66.228 13.620 60.869 -99.200 -91.000 TYR 186 0.840 80.771 -13.539 58.909 -99.200 -91.000 HIS 189 0.900 86.799 -11.010 53.722 -99.200 -91.000 TYR 192 0.840 83.326 -9.161 58.542 -99.200 -91.000 HIS 198 0.900 75.900 13.772 63.085 -99.200 -91.000 PHE 209 1.000 81.548 -8.253 63.728 -99.200 -91.000