============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 12 0.840 -11.719 11.203 22.959 -99.200 -91.000 HIS 22 0.900 -18.151 3.055 27.474 -99.200 -91.000 TRP 33 1.040 -1.892 5.272 23.238 -99.200 -91.000 TRP6 33 1.020 -4.225 5.130 23.440 -99.200 -91.000 PHE 39 1.000 1.294 14.280 26.663 -99.200 -91.000 TYR 41 0.840 3.032 11.174 31.008 -99.200 -91.000 TYR 45 0.840 4.220 4.119 25.514 -99.200 -91.000 PHE 55 1.000 -5.231 6.421 28.779 -99.200 -91.000 TRP 62 1.040 -0.099 15.488 34.264 -99.200 -91.000 TRP6 62 1.020 0.508 17.593 33.400 -99.200 -91.000 TYR 65 0.840 -3.835 15.341 30.830 -99.200 -91.000 TYR 71 0.840 -15.804 12.723 18.946 -99.200 -91.000 HIS 72 0.900 -13.060 16.567 11.669 -99.200 -91.000 TYR 85 0.840 -4.458 16.095 25.688 -99.200 -91.000 TYR 89 0.840 4.226 18.128 36.274 -99.200 -91.000 PHE 96 1.000 -2.098 20.877 30.190 -99.200 -91.000 PHE 100 1.000 -7.434 16.051 22.407 -99.200 -91.000 HIS 102 0.900 -6.341 12.277 21.513 -99.200 -91.000 TRP 104 1.040 -9.306 7.939 18.495 -99.200 -91.000 TRP6 104 1.020 -8.810 6.669 20.408 -99.200 -91.000 PHE 114 1.000 -4.346 8.012 20.990 -99.200 -91.000 TYR 117 0.840 -0.534 13.822 14.631 -99.200 -91.000 HIS 121 0.900 6.679 26.235 24.646 -99.200 -91.000