============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 14 0.840 29.941 22.959 38.584 -99.200 -91.000 PHE 17 1.000 39.981 28.503 48.465 -99.200 -91.000 TYR 25 0.840 36.704 36.749 59.921 -99.200 -91.000 PHE 30 1.000 35.150 27.524 51.447 -99.200 -91.000 TYR 33 0.840 24.077 25.272 40.610 -99.200 -91.000 PHE 47 1.000 21.612 21.888 56.287 -99.200 -91.000 TYR 49 0.840 26.121 25.702 55.436 -99.200 -91.000 TYR 59 0.840 35.399 16.249 41.189 -99.200 -91.000 TRP 69 1.040 34.177 3.398 46.542 -99.200 -91.000 TRP6 69 1.020 33.501 4.557 44.593 -99.200 -91.000 HIS 79 0.900 28.608 7.498 58.971 -99.200 -91.000 TYR 92 0.840 24.649 -0.260 39.353 -99.200 -91.000 PHE 100 1.000 25.619 9.965 44.305 -99.200 -91.000 PHE 104 1.000 23.525 19.679 42.275 -99.200 -91.000 TYR 113 0.840 41.950 19.143 20.052 -99.200 -91.000 TYR 133 0.840 42.540 9.944 23.742 -99.200 -91.000 PHE 144 1.000 31.124 6.672 29.676 -99.200 -91.000 PHE 145 1.000 36.127 7.972 28.077 -99.200 -91.000 TYR 153 0.840 32.444 6.140 24.108 -99.200 -91.000 TRP 157 1.040 40.644 2.308 31.043 -99.200 -91.000 TRP6 157 1.020 41.160 4.173 32.406 -99.200 -91.000 PHE 159 1.000 46.365 7.816 23.848 -99.200 -91.000 TYR 184 0.840 45.183 16.425 27.882 -99.200 -91.000 PHE 186 1.000 40.461 17.306 31.378 -99.200 -91.000 PHE 195 1.000 32.758 29.170 34.455 -99.200 -91.000 TYR 215 0.840 27.680 17.951 38.011 -99.200 -91.000 TYR 225 0.840 20.666 15.895 57.988 -99.200 -91.000 HIS 243 0.900 16.606 28.860 33.732 -99.200 -91.000 TRP 249 1.040 26.705 30.987 41.021 -99.200 -91.000 TRP6 249 1.020 28.585 32.102 41.932 -99.200 -91.000 TRP 250 1.040 27.499 27.220 33.638 -99.200 -91.000 TRP6 250 1.020 27.179 26.431 35.847 -99.200 -91.000