============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 6 0.840 15.838 -27.990 -16.574 -99.200 -91.000 PHE 7 1.000 18.297 -35.193 -11.123 -99.200 -91.000 TRP 20 1.040 18.736 -19.833 4.956 -99.200 -91.000 TRP6 20 1.020 18.050 -17.924 6.143 -99.200 -91.000 PHE 21 1.000 19.701 -28.510 10.871 -99.200 -91.000 HIS 22 0.900 25.260 -26.482 8.762 -99.200 -91.000 PHE 27 1.000 20.808 -14.289 14.748 -99.200 -91.000 TRP 45 1.040 16.856 -36.165 -5.247 -99.200 -91.000 TRP6 45 1.020 16.018 -37.945 -3.972 -99.200 -91.000 PHE 48 1.000 13.794 -31.441 -11.534 -99.200 -91.000 TYR 52 0.840 18.759 -39.597 -15.562 -99.200 -91.000 TYR 54 0.840 8.314 -41.494 -19.097 -99.200 -91.000 TYR 58 0.840 8.599 -45.873 -20.858 -99.200 -91.000 TYR 59 0.840 12.250 -40.004 -23.967 -99.200 -91.000 PHE 60 1.000 20.280 -47.565 -21.334 -99.200 -91.000 TYR 67 0.840 28.596 -44.013 -18.585 -99.200 -91.000 HIS 68 0.900 29.254 -45.077 -23.418 -99.200 -91.000 PHE 73 1.000 32.390 -37.491 -17.533 -99.200 -91.000 PHE 75 1.000 26.374 -30.726 -17.393 -99.200 -91.000 TYR 91 0.840 21.591 -37.433 10.904 -99.200 -91.000 TRP 93 1.040 12.105 -33.228 9.730 -99.200 -91.000 TRP6 93 1.020 12.390 -32.247 7.605 -99.200 -91.000 TRP 103 1.040 26.174 -45.558 4.284 -99.200 -91.000 TRP6 103 1.020 28.520 -45.392 4.194 -99.200 -91.000 PHE 112 1.000 29.043 -40.655 -13.666 -99.200 -91.000 TRP 121 1.040 43.114 -40.612 -16.284 -99.200 -91.000 TRP6 121 1.020 44.007 -41.571 -14.328 -99.200 -91.000 PHE 126 1.000 38.940 -34.127 -21.614 -99.200 -91.000 HIS 132 0.900 32.822 -27.786 -22.183 -99.200 -91.000 PHE 135 1.000 37.362 -33.959 -15.117 -99.200 -91.000 TYR 136 0.840 36.358 -27.237 -11.448 -99.200 -91.000 PHE 144 1.000 35.978 -30.730 -2.170 -99.200 -91.000 TYR 155 0.840 30.200 -44.356 9.223 -99.200 -91.000 HIS 156 0.900 33.358 -36.794 12.435 -99.200 -91.000 TYR 160 0.840 39.565 -34.937 8.200 -99.200 -91.000 PHE 162 1.000 34.275 -41.209 -0.242 -99.200 -91.000 PHE 163 1.000 38.777 -31.498 2.520 -99.200 -91.000 TRP 170 1.040 39.882 -26.720 -6.946 -99.200 -91.000 TRP6 170 1.020 40.227 -25.704 -4.854 -99.200 -91.000 PHE 173 1.000 39.226 -30.082 -15.171 -99.200 -91.000 HIS 180 0.900 39.729 -25.316 -23.517 -99.200 -91.000 PHE 190 1.000 29.114 -26.263 -24.939 -99.200 -91.000 PHE 202 1.000 33.389 -19.161 -1.791 -99.200 -91.000 TYR 208 0.840 39.588 -28.220 6.944 -99.200 -91.000 HIS 213 0.900 34.438 -32.798 15.183 -99.200 -91.000 TRP 224 1.040 35.099 -18.347 3.121 -99.200 -91.000 TRP6 224 1.020 34.155 -16.677 4.481 -99.200 -91.000 TYR 226 0.840 41.865 -19.933 -6.426 -99.200 -91.000 PHE 228 1.000 34.493 -14.299 0.004 -99.200 -91.000 PHE 232 1.000 36.193 -9.959 -4.591 -99.200 -91.000 PHE 233 1.000 40.392 -13.179 -10.980 -99.200 -91.000 PHE 238 1.000 25.712 -12.654 -14.306 -99.200 -91.000 TRP 240 1.040 32.570 -13.413 -22.496 -99.200 -91.000 TRP6 240 1.020 33.095 -15.363 -21.287 -99.200 -91.000 TRP 251 1.040 18.410 -22.727 -11.211 -99.200 -91.000 TRP6 251 1.020 18.089 -22.741 -8.881 -99.200 -91.000 PHE 253 1.000 27.543 -17.788 -12.057 -99.200 -91.000 PHE 267 1.000 35.666 -18.677 7.154 -99.200 -91.000 TYR 268 0.840 27.761 -13.890 12.792 -99.200 -91.000 HIS 269 0.900 27.276 -20.956 14.602 -99.200 -91.000 PHE 279 1.000 29.396 -9.741 -0.247 -99.200 -91.000 PHE 281 1.000 22.910 -17.025 5.470 -99.200 -91.000 PHE 283 1.000 26.856 -12.049 -4.340 -99.200 -91.000 TYR 297 0.840 9.361 -14.134 -17.063 -99.200 -91.000 PHE 304 1.000 11.869 -26.133 -14.840 -99.200 -91.000 PHE 305 1.000 9.356 -29.973 -16.423 -99.200 -91.000