============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 7 1.040 9.404 44.887 54.234 -99.200 -91.000 TRP6 7 1.020 9.116 43.541 56.161 -99.200 -91.000 TRP 9 1.040 0.798 41.086 50.320 -99.200 -91.000 TRP6 9 1.020 -0.438 39.838 51.903 -99.200 -91.000 TYR 23 0.840 8.021 18.561 56.018 -99.200 -91.000 PHE 24 1.000 9.424 20.407 50.159 -99.200 -91.000 PHE 39 1.000 11.162 11.628 41.319 -99.200 -91.000 TYR 40 0.840 12.875 13.279 49.749 -99.200 -91.000 PHE 51 1.000 15.570 31.901 52.505 -99.200 -91.000 TYR 54 0.840 8.803 35.407 46.900 -99.200 -91.000 TYR 61 0.840 9.340 47.488 49.961 -99.200 -91.000 TYR 63 0.840 7.638 43.469 42.897 -99.200 -91.000 TRP 64 1.040 15.074 43.159 35.700 -99.200 -91.000 TRP6 64 1.020 14.732 45.488 35.441 -99.200 -91.000 TYR 67 0.840 8.932 38.751 34.874 -99.200 -91.000 TRP 70 1.040 8.070 33.409 38.567 -99.200 -91.000 TRP6 70 1.020 6.725 35.104 37.600 -99.200 -91.000 PHE 72 1.000 18.545 30.827 37.620 -99.200 -91.000 TYR 115 0.840 -2.295 49.395 26.930 -99.200 -91.000 TYR 117 0.840 5.053 45.924 19.523 -99.200 -91.000 PHE 119 1.000 -2.661 43.979 27.037 -99.200 -91.000 TRP 121 1.040 6.889 41.716 23.413 -99.200 -91.000 TRP6 121 1.020 8.309 40.325 22.131 -99.200 -91.000 TRP 122 1.040 -0.857 37.744 28.846 -99.200 -91.000 TRP6 122 1.020 -2.671 36.936 27.555 -99.200 -91.000 TYR 131 0.840 5.278 22.250 23.092 -99.200 -91.000 TYR 134 0.840 -1.571 18.906 23.000 -99.200 -91.000 PHE 137 1.000 -5.400 17.235 31.317 -99.200 -91.000 PHE 138 1.000 -5.061 16.854 26.054 -99.200 -91.000 PHE 140 1.000 5.904 14.934 30.452 -99.200 -91.000 PHE 155 1.000 1.713 13.258 34.803 -99.200 -91.000 TRP 166 1.040 3.249 25.801 36.306 -99.200 -91.000 TRP6 166 1.020 5.075 25.535 34.822 -99.200 -91.000 TYR 169 0.840 2.639 31.824 38.347 -99.200 -91.000 TRP 173 1.040 2.834 39.719 32.949 -99.200 -91.000 TRP6 173 1.020 2.334 40.951 30.988 -99.200 -91.000 PHE 192 1.000 2.390 37.427 39.258 -99.200 -91.000 PHE 203 1.000 5.379 19.714 41.368 -99.200 -91.000 PHE 214 1.000 10.780 5.797 48.665 -99.200 -91.000