============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 35 1.040 -19.917 90.102 75.632 -99.200 -91.000 TRP6 35 1.020 -18.122 91.393 76.440 -99.200 -91.000 TYR 36 0.840 -18.439 82.408 78.120 -99.200 -91.000 TYR 49 0.840 -26.827 82.322 71.999 -99.200 -91.000 TYR 55 0.840 -27.560 79.710 78.001 -99.200 -91.000 PHE 62 1.000 -25.909 90.577 83.379 -99.200 -91.000 PHE 71 1.000 -17.369 91.553 68.357 -99.200 -91.000 PHE 83 1.000 -17.541 90.895 93.492 -99.200 -91.000 TYR 86 0.840 -19.846 90.848 84.487 -99.200 -91.000 TYR 87 0.840 -12.676 86.137 82.630 -99.200 -91.000 TYR 91 0.840 -18.460 81.745 69.323 -99.200 -91.000 TYR 93 0.840 -10.842 75.215 63.533 -99.200 -91.000 TYR 94 0.840 -7.190 82.876 60.056 -99.200 -91.000 PHE 96 1.000 -12.516 78.260 73.387 -99.200 -91.000 PHE 98 1.000 -13.095 82.259 77.283 -99.200 -91.000 PHE 116 1.000 -17.160 91.151 116.477 -99.200 -91.000 PHE 118 1.000 -12.568 86.070 117.276 -99.200 -91.000 PHE 139 1.000 -13.825 96.359 105.856 -99.200 -91.000 TYR 140 0.840 -17.809 100.554 99.350 -99.200 -91.000 TRP 148 1.040 -2.179 92.793 114.497 -99.200 -91.000 TRP6 148 1.020 -3.638 91.723 115.993 -99.200 -91.000 TYR 173 0.840 -14.942 95.115 99.555 -99.200 -91.000 TYR 186 0.840 -0.091 84.916 123.749 -99.200 -91.000 HIS 189 0.900 6.096 91.364 124.662 -99.200 -91.000 TYR 192 0.840 -0.195 89.793 122.998 -99.200 -91.000 HIS 198 0.900 -13.705 101.616 106.846 -99.200 -91.000 PHE 209 1.000 -5.731 89.078 123.701 -99.200 -91.000