============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 9 0.840 21.610 -3.004 41.447 -99.200 -91.000 TRP 12 1.040 18.611 5.218 45.017 -99.200 -91.000 TRP6 12 1.020 19.813 7.246 44.861 -99.200 -91.000 HIS 23 0.900 33.885 11.574 67.870 -99.200 -91.000 TYR 30 0.840 22.074 19.171 62.408 -99.200 -91.000 TYR 34 0.840 25.995 8.744 65.129 -99.200 -91.000 TRP 38 1.040 31.352 5.843 49.640 -99.200 -91.000 TRP6 38 1.020 29.631 6.597 48.201 -99.200 -91.000 TYR 41 0.840 33.436 7.263 45.268 -99.200 -91.000 PHE 59 1.000 16.318 5.891 58.724 -99.200 -91.000 HIS 71 0.900 16.880 22.395 42.403 -99.200 -91.000 PHE 87 1.000 16.138 -0.573 58.438 -99.200 -91.000 TYR 88 0.840 24.565 3.161 59.263 -99.200 -91.000 PHE 93 1.000 30.107 17.764 57.164 -99.200 -91.000 TYR 96 0.840 32.284 27.148 54.878 -99.200 -91.000 TYR 102 0.840 27.713 31.075 56.088 -99.200 -91.000 TYR 118 0.840 24.507 31.802 44.759 -99.200 -91.000 TYR 129 0.840 13.203 18.722 41.834 -99.200 -91.000 PHE 135 1.000 8.059 14.613 46.576 -99.200 -91.000 HIS 137 0.900 11.100 21.582 54.106 -99.200 -91.000 HIS 151 0.900 29.480 33.203 49.429 -99.200 -91.000 PHE 158 1.000 19.207 19.632 58.631 -99.200 -91.000 TYR 169 0.840 10.634 22.852 65.394 -99.200 -91.000 HIS 172 0.900 -1.367 24.827 67.061 -99.200 -91.000 PHE 177 1.000 1.555 22.469 64.168 -99.200 -91.000 TRP 181 1.040 10.489 30.013 60.603 -99.200 -91.000 TRP6 181 1.020 11.219 30.330 62.842 -99.200 -91.000 TYR 189 0.840 -9.695 27.184 59.657 -99.200 -91.000 PHE 192 1.000 0.893 21.839 58.363 -99.200 -91.000 TRP 199 1.040 3.200 32.498 56.978 -99.200 -91.000 TRP6 199 1.020 1.463 34.102 56.939 -99.200 -91.000 PHE 201 1.000 11.513 32.003 49.804 -99.200 -91.000 TRP 206 1.040 11.856 39.735 59.270 -99.200 -91.000 TRP6 206 1.020 12.833 39.025 61.289 -99.200 -91.000 TYR 211 0.840 23.801 39.854 57.371 -99.200 -91.000 TYR 216 0.840 5.813 36.988 63.376 -99.200 -91.000 TYR 225 0.840 -4.911 32.234 63.675 -99.200 -91.000 TYR 232 0.840 2.832 42.881 63.763 -99.200 -91.000 TYR 245 0.840 8.087 44.730 54.361 -99.200 -91.000 TRP 252 1.040 5.180 36.497 55.648 -99.200 -91.000 TRP6 252 1.020 6.518 38.336 56.327 -99.200 -91.000 TRP 254 1.040 -6.363 35.182 56.735 -99.200 -91.000 TRP6 254 1.020 -5.318 34.896 58.842 -99.200 -91.000 PHE 262 1.000 7.979 27.893 47.541 -99.200 -91.000 HIS 266 0.900 14.617 30.646 40.372 -99.200 -91.000 PHE 269 1.000 14.085 35.847 45.804 -99.200 -91.000 PHE 273 1.000 17.352 43.520 43.791 -99.200 -91.000