============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TRP 8 1.040 22.992 39.516 7.159 -99.200 -91.000 TRP6 8 1.020 21.758 40.548 8.900 -99.200 -91.000 HIS 12 0.900 25.696 40.582 -8.204 -99.200 -91.000 PHE 23 1.000 33.357 38.221 -4.718 -99.200 -91.000 PHE 37 1.000 16.375 25.561 -9.792 -99.200 -91.000 TYR 44 0.840 25.873 23.459 -14.605 -99.200 -91.000 TYR 46 0.840 26.621 30.093 -16.337 -99.200 -91.000 HIS 47 0.900 24.321 36.808 -13.620 -99.200 -91.000 PHE 53 1.000 32.318 48.289 -17.067 -99.200 -91.000 TRP 60 1.040 31.637 26.351 -14.439 -99.200 -91.000 TRP6 60 1.020 31.210 24.057 -14.088 -99.200 -91.000 TYR 62 0.840 29.687 19.919 -11.968 -99.200 -91.000 PHE 63 1.000 22.218 24.182 -5.337 -99.200 -91.000 PHE 66 1.000 28.716 28.448 -4.315 -99.200 -91.000 TYR 73 0.840 35.371 28.590 2.366 -99.200 -91.000 TYR 81 0.840 33.209 28.740 12.049 -99.200 -91.000 PHE 85 1.000 29.608 32.277 3.790 -99.200 -91.000 PHE 88 1.000 24.144 29.323 1.900 -99.200 -91.000 TYR 117 0.840 25.035 25.346 4.458 -99.200 -91.000 TRP 118 1.040 21.239 23.164 6.728 -99.200 -91.000 TRP6 118 1.020 19.346 23.582 5.380 -99.200 -91.000 TYR 128 0.840 20.508 32.406 10.728 -99.200 -91.000 HIS 138 0.900 8.324 30.250 -10.254 -99.200 -91.000 TYR 139 0.840 1.668 29.963 -3.982 -99.200 -91.000 PHE 141 1.000 12.441 26.430 -4.785 -99.200 -91.000 PHE 145 1.000 14.098 24.591 1.341 -99.200 -91.000 HIS 154 0.900 17.195 16.159 9.145 -99.200 -91.000 TYR 163 0.840 11.211 30.654 3.402 -99.200 -91.000 PHE 165 1.000 7.998 33.497 -1.910 -99.200 -91.000 TYR 169 0.840 12.443 41.750 -11.802 -99.200 -91.000 HIS 180 0.900 1.820 40.061 4.690 -99.200 -91.000 TYR 183 0.840 7.447 36.407 1.374 -99.200 -91.000 HIS 191 0.900 12.473 32.078 9.806 -99.200 -91.000 TRP 193 1.040 16.654 38.521 4.834 -99.200 -91.000 TRP6 193 1.020 18.897 39.021 4.312 -99.200 -91.000 PHE 201 1.000 8.196 49.938 -14.481 -99.200 -91.000 PHE 223 1.000 5.321 41.649 3.608 -99.200 -91.000 TYR 228 0.840 18.336 40.442 -0.260 -99.200 -91.000 TYR 229 0.840 19.484 49.498 -4.194 -99.200 -91.000 TRP 230 1.040 19.506 42.134 -4.080 -99.200 -91.000 TRP6 230 1.020 19.967 39.913 -4.786 -99.200 -91.000 TYR 253 0.840 33.727 45.908 -7.375 -99.200 -91.000 TYR 266 0.840 27.530 56.922 6.322 -99.200 -91.000 TYR 270 0.840 23.803 53.303 8.763 -99.200 -91.000 TYR 275 0.840 25.163 31.794 13.848 -99.200 -91.000 TRP 280 1.040 15.618 33.661 9.732 -99.200 -91.000 TRP6 280 1.020 16.453 34.151 7.574 -99.200 -91.000 PHE 283 1.000 18.236 48.307 14.159 -99.200 -91.000