============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 14 1.040 -95.687 -3.079 68.502 -99.200 -91.000 TRP6 14 1.020 -97.647 -4.066 67.626 -99.200 -91.000 PHE 19 1.000 -76.560 0.873 63.927 -99.200 -91.000 TRP 37 1.040 -95.375 12.459 67.042 -99.200 -91.000 TRP6 37 1.020 -93.801 13.833 68.140 -99.200 -91.000 HIS 43 0.900 -82.497 3.930 80.718 -99.200 -91.000 TYR 47 0.840 -78.024 6.738 84.024 -99.200 -91.000 TRP 49 1.040 -73.831 4.305 83.504 -99.200 -91.000 TRP6 49 1.020 -75.450 2.820 82.620 -99.200 -91.000 PHE 53 1.000 -75.684 8.328 72.867 -99.200 -91.000 HIS 65 0.900 -87.064 -11.387 62.487 -99.200 -91.000 TYR 70 0.840 -80.500 -1.672 54.564 -99.200 -91.000 TYR 84 0.840 -90.279 17.475 71.425 -99.200 -91.000 HIS 86 0.900 -92.329 13.879 82.275 -99.200 -91.000 TYR 89 0.840 -84.699 10.808 82.862 -99.200 -91.000 TRP 91 1.040 -80.531 12.437 85.613 -99.200 -91.000 TRP6 91 1.020 -78.689 13.018 86.975 -99.200 -91.000 PHE 110 1.000 -98.307 3.545 59.800 -99.200 -91.000 TYR 113 0.840 -92.436 -7.740 56.536 -99.200 -91.000 HIS 115 0.900 -100.479 -1.327 61.662 -99.200 -91.000 TYR 132 0.840 -105.244 -9.437 84.508 -99.200 -91.000 TRP 139 1.040 -83.301 -6.861 67.428 -99.200 -91.000 TRP6 139 1.020 -84.648 -4.992 66.936 -99.200 -91.000 PHE 176 1.000 -95.864 -1.609 84.230 -99.200 -91.000 TYR 180 0.840 -92.269 -15.610 84.671 -99.200 -91.000 PHE 199 1.000 -95.347 -5.237 80.232 -99.200 -91.000 PHE 205 1.000 -111.518 -6.178 78.330 -99.200 -91.000 TRP 209 1.040 -100.973 -7.498 69.779 -99.200 -91.000 TRP6 209 1.020 -99.965 -8.879 71.416 -99.200 -91.000 TYR 210 0.840 -105.242 -0.888 73.616 -99.200 -91.000 TYR 223 0.840 -90.075 -9.444 91.542 -99.200 -91.000 PHE 225 1.000 -87.440 -1.525 89.603 -99.200 -91.000 TYR 226 0.840 -90.991 -3.865 82.242 -99.200 -91.000 HIS 228 0.900 -99.317 3.428 84.775 -99.200 -91.000 PHE 230 1.000 -104.375 6.223 81.960 -99.200 -91.000 TRP 235 1.040 -94.323 15.004 78.757 -99.200 -91.000 TRP6 235 1.020 -93.016 13.502 77.488 -99.200 -91.000 PHE 243 1.000 -93.348 19.305 64.725 -99.200 -91.000