============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TRP 7 1.040 23.092 26.212 16.954 -99.200 -91.000 TRP6 7 1.020 25.390 26.598 17.359 -99.200 -91.000 PHE 20 1.000 20.235 17.428 15.606 -99.200 -91.000 HIS 32 0.900 24.044 27.434 10.775 -99.200 -91.000 PHE 34 1.000 24.676 30.515 14.070 -99.200 -91.000 TRP 37 1.040 33.358 38.884 10.219 -99.200 -91.000 TRP6 37 1.020 34.189 40.070 8.357 -99.200 -91.000 PHE 41 1.000 39.900 27.038 9.147 -99.200 -91.000 TRP 43 1.040 37.527 29.094 19.118 -99.200 -91.000 TRP6 43 1.020 35.329 28.695 18.379 -99.200 -91.000 TYR 47 0.840 34.462 23.696 17.831 -99.200 -91.000 TYR 52 0.840 34.588 19.677 5.948 -99.200 -91.000 TRP 62 1.040 33.606 35.222 9.404 -99.200 -91.000 TRP6 62 1.020 34.771 35.767 7.418 -99.200 -91.000 TRP 65 1.040 28.117 39.392 16.698 -99.200 -91.000 TRP6 65 1.020 25.940 40.143 17.201 -99.200 -91.000 TYR 67 0.840 36.559 44.196 11.787 -99.200 -91.000 TYR 80 0.840 38.795 38.110 11.048 -99.200 -91.000 TYR 91 0.840 39.962 22.087 7.194 -99.200 -91.000 TRP 96 1.040 28.182 24.505 1.164 -99.200 -91.000 TRP6 96 1.020 26.002 23.570 1.194 -99.200 -91.000 HIS 101 0.900 23.266 35.618 10.376 -99.200 -91.000 TRP 107 1.040 17.992 40.207 13.823 -99.200 -91.000 TRP6 107 1.020 15.866 40.453 12.806 -99.200 -91.000 TYR 108 0.840 22.128 38.983 13.532 -99.200 -91.000 TRP 110 1.040 25.402 41.650 9.699 -99.200 -91.000 TRP6 110 1.020 25.946 40.672 11.789 -99.200 -91.000 TYR 114 0.840 22.654 48.145 14.757 -99.200 -91.000 TYR 124 0.840 24.784 42.730 2.858 -99.200 -91.000 PHE 128 1.000 27.935 38.198 0.122 -99.200 -91.000 HIS 130 0.900 37.524 44.751 -0.034 -99.200 -91.000 PHE 135 1.000 37.295 34.071 2.433 -99.200 -91.000 TRP 145 1.040 32.086 33.235 -1.550 -99.200 -91.000 TRP6 145 1.020 32.854 34.055 0.527 -99.200 -91.000 PHE 147 1.000 21.161 37.734 -0.593 -99.200 -91.000 TYR 160 0.840 11.590 38.949 1.381 -99.200 -91.000 HIS 163 0.900 19.909 42.045 1.580 -99.200 -91.000 TYR 164 0.840 21.757 38.108 -5.516 -99.200 -91.000 TYR 169 0.840 30.994 39.880 -6.791 -99.200 -91.000 TYR 172 0.840 25.169 26.180 -2.336 -99.200 -91.000 TYR 178 0.840 14.460 30.727 14.165 -99.200 -91.000 TRP 180 1.040 9.640 34.181 16.193 -99.200 -91.000 TRP6 180 1.020 11.471 34.488 17.651 -99.200 -91.000 TRP 186 1.040 7.958 40.031 18.832 -99.200 -91.000 TRP6 186 1.020 6.992 39.006 16.930 -99.200 -91.000 TRP 190 1.040 1.132 27.326 15.009 -99.200 -91.000 TRP6 190 1.020 2.538 26.253 16.560 -99.200 -91.000 PHE 193 1.000 9.056 25.763 5.529 -99.200 -91.000 PHE 197 1.000 11.252 29.465 6.491 -99.200 -91.000 TYR 201 0.840 10.836 28.782 -3.066 -99.200 -91.000 PHE 216 1.000 13.360 23.876 9.052 -99.200 -91.000 TRP 228 1.040 5.263 24.992 12.080 -99.200 -91.000 TRP6 228 1.020 7.564 24.944 11.569 -99.200 -91.000 TYR 233 0.840 12.120 18.544 7.576 -99.200 -91.000 TYR 240 0.840 8.440 26.665 0.423 -99.200 -91.000 TRP 248 1.040 15.097 22.250 14.413 -99.200 -91.000 TRP6 248 1.020 12.839 22.278 13.692 -99.200 -91.000 PHE 249 1.000 19.269 28.627 16.358 -99.200 -91.000 HIS 250 0.900 18.395 20.086 19.173 -99.200 -91.000 TRP 257 1.040 14.344 28.687 18.950 -99.200 -91.000 TRP6 257 1.020 12.276 29.532 18.135 -99.200 -91.000 TYR 269 0.840 13.896 17.396 12.724 -99.200 -91.000