============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 27 1.040 19.258 -19.344 42.444 -99.200 -91.000 TRP6 27 1.020 17.564 -17.700 42.357 -99.200 -91.000 TYR 35 0.840 16.490 -9.857 34.079 -99.200 -91.000 TYR 43 0.840 8.470 -3.728 50.441 -99.200 -91.000 TYR 60 0.840 20.065 -12.269 42.776 -99.200 -91.000 PHE 65 1.000 20.823 -21.510 35.549 -99.200 -91.000 HIS 69 0.900 10.891 -12.347 39.873 -99.200 -91.000 HIS 83 0.900 7.013 -16.344 40.202 -99.200 -91.000 PHE 87 1.000 11.447 -16.728 33.432 -99.200 -91.000 TYR 92 0.840 25.464 -21.550 27.661 -99.200 -91.000 PHE 97 1.000 13.554 -24.439 40.729 -99.200 -91.000 TYR 128 0.840 18.206 -30.790 33.323 -99.200 -91.000 PHE 140 1.000 5.375 -35.082 48.128 -99.200 -91.000 TRP 149 1.040 -2.737 -22.629 33.806 -99.200 -91.000 TRP6 149 1.020 -0.601 -22.605 34.828 -99.200 -91.000 PHE 153 1.000 3.856 -26.140 35.333 -99.200 -91.000 TYR 156 0.840 10.898 -37.343 36.280 -99.200 -91.000 PHE 159 1.000 -1.448 -28.243 41.860 -99.200 -91.000 PHE 171 1.000 7.126 -28.957 46.965 -99.200 -91.000 PHE 178 1.000 12.301 -31.537 41.050 -99.200 -91.000 HIS 182 0.900 18.073 -25.859 35.927 -99.200 -91.000 HIS 184 0.900 27.105 -32.104 37.452 -99.200 -91.000 HIS 200 0.900 16.540 -25.928 23.868 -99.200 -91.000 HIS 206 0.900 3.137 -23.363 24.740 -99.200 -91.000 TYR 207 0.840 7.620 -21.986 32.413 -99.200 -91.000 PHE 225 1.000 -0.027 -3.802 43.644 -99.200 -91.000 TRP 229 1.040 0.704 -2.807 39.725 -99.200 -91.000 TRP6 229 1.020 1.277 -4.967 40.517 -99.200 -91.000 TYR 233 0.840 4.440 -8.319 39.680 -99.200 -91.000 PHE 239 1.000 4.842 -16.586 35.024 -99.200 -91.000