============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 8 0.840 29.199 31.306 -19.948 -99.200 -91.000 TYR 12 0.840 26.559 29.550 -11.151 -99.200 -91.000 PHE 13 1.000 23.746 32.925 -20.706 -99.200 -91.000 TYR 14 0.840 26.573 38.481 -17.467 -99.200 -91.000 TYR 16 0.840 20.416 44.635 -16.960 -99.200 -91.000 TRP 17 1.040 16.282 43.249 -23.723 -99.200 -91.000 TRP6 17 1.020 14.057 43.707 -23.102 -99.200 -91.000 HIS 21 0.900 10.756 54.270 -18.602 -99.200 -91.000 TYR 26 0.840 22.092 41.432 -13.643 -99.200 -91.000 PHE 34 1.000 19.762 37.165 -10.350 -99.200 -91.000 TRP 38 1.040 12.001 46.570 -10.486 -99.200 -91.000 TRP6 38 1.020 12.518 44.646 -9.229 -99.200 -91.000 PHE 44 1.000 13.671 44.637 -14.378 -99.200 -91.000 TRP 50 1.040 23.591 25.970 -15.030 -99.200 -91.000 TRP6 50 1.020 21.933 26.466 -13.462 -99.200 -91.000 PHE 61 1.000 14.016 29.697 -6.184 -99.200 -91.000 TYR 65 0.840 10.179 38.746 -6.829 -99.200 -91.000 TYR 72 0.840 5.768 38.001 -15.012 -99.200 -91.000 TYR 76 0.840 12.881 34.055 -19.869 -99.200 -91.000 TRP 78 1.040 14.183 32.290 -24.909 -99.200 -91.000 TRP6 78 1.020 12.560 33.029 -26.431 -99.200 -91.000 TYR 86 0.840 12.063 26.742 -20.295 -99.200 -91.000 TYR 87 0.840 8.216 33.760 -18.586 -99.200 -91.000 PHE 92 1.000 1.634 35.779 -9.397 -99.200 -91.000 TYR 95 0.840 -0.637 40.192 -15.912 -99.200 -91.000 TYR 114 0.840 5.277 24.861 -9.518 -99.200 -91.000 TYR 117 0.840 -2.377 28.930 -16.287 -99.200 -91.000 PHE 133 1.000 8.129 33.685 -29.177 -99.200 -91.000 TYR 134 0.840 1.884 27.495 -29.937 -99.200 -91.000 TYR 136 0.840 5.254 24.790 -24.369 -99.200 -91.000 TRP 137 1.040 3.092 31.400 -19.495 -99.200 -91.000 TRP6 137 1.020 4.227 33.246 -18.525 -99.200 -91.000 HIS 143 0.900 2.624 33.452 -5.588 -99.200 -91.000 HIS 154 0.900 7.564 22.617 -12.900 -99.200 -91.000 PHE 155 1.000 12.014 21.725 -18.602 -99.200 -91.000 TRP 158 1.040 5.214 22.529 -18.795 -99.200 -91.000 TRP6 158 1.020 7.088 23.904 -19.097 -99.200 -91.000 TYR 170 0.840 18.329 32.891 -22.412 -99.200 -91.000 TYR 178 0.840 4.940 46.231 -19.276 -99.200 -91.000 PHE 179 1.000 7.018 50.615 -18.890 -99.200 -91.000