============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 16 0.840 4.009 -30.345 77.986 -99.200 -91.000 TYR 17 0.840 0.996 -36.920 76.901 -99.200 -91.000 HIS 20 0.900 -2.600 -32.838 84.661 -99.200 -91.000 HIS 30 0.900 -3.360 -24.792 71.719 -99.200 -91.000 TRP 32 1.040 -3.162 -18.354 65.574 -99.200 -91.000 TRP6 32 1.020 -3.575 -16.045 65.649 -99.200 -91.000 TRP 39 1.040 -7.864 -26.318 77.018 -99.200 -91.000 TRP6 39 1.020 -10.132 -25.968 76.487 -99.200 -91.000 TYR 41 0.840 -9.503 -19.482 85.364 -99.200 -91.000 TYR 51 0.840 -16.321 -36.414 83.092 -99.200 -91.000 TYR 56 0.840 -3.440 -31.949 70.989 -99.200 -91.000 PHE 61 1.000 0.587 -22.500 67.507 -99.200 -91.000 TRP 68 1.040 9.515 -23.985 56.603 -99.200 -91.000 TRP6 68 1.020 9.807 -21.836 57.527 -99.200 -91.000 TYR 71 0.840 3.259 -25.118 61.690 -99.200 -91.000 TYR 73 0.840 -7.865 -27.192 61.035 -99.200 -91.000 PHE 76 1.000 -2.552 -27.637 62.529 -99.200 -91.000 HIS 81 0.900 -5.430 -42.170 64.208 -99.200 -91.000 PHE 97 1.000 -11.394 -21.016 72.820 -99.200 -91.000 TYR 106 0.840 -9.920 -38.722 65.636 -99.200 -91.000 TYR 110 0.840 -7.345 -40.221 61.507 -99.200 -91.000 PHE 120 1.000 -17.776 -29.063 66.584 -99.200 -91.000 TYR 127 0.840 -15.463 -22.138 53.669 -99.200 -91.000 TYR 129 0.840 -12.021 -16.878 51.955 -99.200 -91.000 HIS 134 0.900 -19.001 -19.908 53.369 -99.200 -91.000 PHE 147 1.000 -7.045 -11.890 62.715 -99.200 -91.000 PHE 158 1.000 -2.425 -9.924 65.184 -99.200 -91.000 PHE 162 1.000 -6.179 -13.100 68.759 -99.200 -91.000 PHE 166 1.000 -8.401 -15.871 73.218 -99.200 -91.000 PHE 167 1.000 -8.384 -14.038 77.567 -99.200 -91.000 PHE 180 1.000 -6.242 -15.748 82.252 -99.200 -91.000 TYR 183 0.840 -0.242 -18.027 82.369 -99.200 -91.000 TRP 185 1.040 2.364 -10.561 74.342 -99.200 -91.000 TRP6 185 1.020 4.467 -10.382 75.339 -99.200 -91.000 PHE 203 1.000 -7.626 -18.545 62.631 -99.200 -91.000 PHE 208 1.000 -12.688 -27.131 59.616 -99.200 -91.000 PHE 215 1.000 -18.675 -34.065 63.970 -99.200 -91.000 HIS 223 0.900 -19.226 -19.504 69.235 -99.200 -91.000 PHE 232 1.000 -24.647 -18.778 68.579 -99.200 -91.000 TYR 234 0.840 -21.510 -13.948 60.057 -99.200 -91.000 HIS 240 0.900 -28.296 -26.208 67.753 -99.200 -91.000 HIS 256 0.900 -12.247 -16.859 70.121 -99.200 -91.000 HIS 262 0.900 -18.689 -14.710 80.700 -99.200 -91.000 PHE 266 1.000 -16.063 -23.798 78.145 -99.200 -91.000 PHE 273 1.000 -22.317 -32.917 75.256 -99.200 -91.000