============================================================================= 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 8 0.840 42.339 55.525 71.945 -99.200 -91.000 HIS 11 0.900 45.899 46.274 73.890 -99.200 -91.000 PHE 25 1.000 41.881 45.458 54.488 -99.200 -91.000 PHE 30 1.000 39.756 55.803 66.509 -99.200 -91.000 TYR 39 0.840 50.293 54.731 67.159 -99.200 -91.000 TYR 42 0.840 60.044 58.683 66.749 -99.200 -91.000 PHE 43 1.000 58.299 51.564 65.900 -99.200 -91.000 TYR 48 0.840 43.710 58.590 55.194 -99.200 -91.000 PHE 49 1.000 47.434 59.954 65.514 -99.200 -91.000 TYR 54 0.840 33.463 56.827 67.707 -99.200 -91.000 PHE 72 1.000 37.400 51.244 70.444 -99.200 -91.000 HIS 75 0.900 42.982 54.704 76.377 -99.200 -91.000 TYR 88 0.840 33.579 46.335 68.420 -99.200 -91.000 PHE 89 1.000 37.480 41.289 63.085 -99.200 -91.000 TRP 97 1.040 27.540 38.334 78.101 -99.200 -91.000 TRP6 97 1.020 26.783 36.587 79.507 -99.200 -91.000 TRP 107 1.040 32.078 33.212 77.755 -99.200 -91.000 TRP6 107 1.020 32.994 35.187 76.827 -99.200 -91.000 TYR 119 0.840 36.122 28.202 99.484 -99.200 -91.000 TYR 137 0.840 43.820 41.496 95.706 -99.200 -91.000 PHE 138 1.000 43.367 39.209 104.342 -99.200 -91.000 PHE 146 1.000 37.681 35.714 106.119 -99.200 -91.000 TRP 147 1.040 35.532 34.102 110.909 -99.200 -91.000 TRP6 147 1.020 34.270 35.854 109.939 -99.200 -91.000 PHE 153 1.000 46.672 41.851 108.091 -99.200 -91.000 TYR 170 0.840 47.982 31.215 96.629 -99.200 -91.000 TYR 177 0.840 49.045 36.258 81.149 -99.200 -91.000 HIS 179 0.900 49.090 35.899 73.089 -99.200 -91.000 TYR 180 0.840 42.769 30.340 73.084 -99.200 -91.000 PHE 181 1.000 41.216 35.791 63.789 -99.200 -91.000 TYR 182 0.840 35.185 30.447 65.626 -99.200 -91.000 TYR 198 0.840 59.387 42.324 82.777 -99.200 -91.000 PHE 216 1.000 62.097 48.747 103.613 -99.200 -91.000 TYR 222 0.840 49.636 41.291 91.445 -99.200 -91.000 TRP 259 1.040 33.237 38.007 64.740 -99.200 -91.000 TRP6 259 1.020 30.978 38.219 65.433 -99.200 -91.000 PHE 262 1.000 39.085 33.130 72.063 -99.200 -91.000 PHE 268 1.000 49.082 25.055 81.561 -99.200 -91.000 PHE 274 1.000 45.109 28.237 80.809 -99.200 -91.000 PHE 277 1.000 44.408 33.268 88.416 -99.200 -91.000 PHE 290 1.000 54.569 35.939 70.004 -99.200 -91.000 TYR 296 0.840 52.573 27.654 69.945 -99.200 -91.000 TRP 298 1.040 57.068 32.211 61.400 -99.200 -91.000 TRP6 298 1.020 57.416 32.508 59.073 -99.200 -91.000 TYR 301 0.840 48.671 31.194 58.922 -99.200 -91.000