============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 -16.415 -15.993 25.668 -99.200 -91.000 PHE 7 1.000 -7.796 0.977 28.674 -99.200 -91.000 TRP 30 1.040 -7.640 23.197 27.197 -99.200 -91.000 TRP6 30 1.020 -9.797 23.706 28.069 -99.200 -91.000 TYR 36 0.840 -0.218 18.888 23.247 -99.200 -91.000 HIS 40 0.900 -4.444 17.511 8.469 -99.200 -91.000 TYR 53 0.840 2.177 21.165 6.925 -99.200 -91.000 HIS 63 0.900 -5.663 38.128 14.300 -99.200 -91.000 PHE 65 1.000 -3.534 29.015 14.955 -99.200 -91.000 HIS 79 0.900 1.053 30.961 16.079 -99.200 -91.000 TYR 100 0.840 -0.587 15.109 30.117 -99.200 -91.000 PHE 102 1.000 1.579 14.381 25.217 -99.200 -91.000 PHE 111 1.000 -4.258 3.114 19.083 -99.200 -91.000 TYR 117 0.840 -16.842 11.838 13.520 -99.200 -91.000 TYR 125 0.840 -12.157 3.200 16.527 -99.200 -91.000 HIS 133 0.900 5.160 0.548 10.987 -99.200 -91.000 PHE 139 1.000 -9.937 7.382 13.400 -99.200 -91.000 PHE 149 1.000 -8.735 6.844 25.316 -99.200 -91.000 TYR 153 0.840 -6.127 4.246 40.568 -99.200 -91.000 PHE 158 1.000 -4.335 11.875 26.312 -99.200 -91.000 TYR 160 0.840 -3.638 7.186 15.496 -99.200 -91.000 HIS 162 0.900 -7.385 9.784 11.389 -99.200 -91.000 HIS 163 0.900 -1.356 14.000 12.391 -99.200 -91.000 HIS 171 0.900 -9.044 5.446 9.468 -99.200 -91.000 PHE 180 1.000 1.937 11.300 9.734 -99.200 -91.000 TYR 181 0.840 2.470 5.683 16.407 -99.200 -91.000 PHE 184 1.000 1.898 5.155 6.181 -99.200 -91.000 TRP 206 1.040 -8.804 -14.519 21.079 -99.200 -91.000 TRP6 206 1.020 -9.341 -16.286 19.603 -99.200 -91.000 TYR 208 0.840 -0.140 -18.864 26.383 -99.200 -91.000 TRP 217 1.040 -11.279 -26.346 20.301 -99.200 -91.000 TRP6 217 1.020 -10.290 -26.515 18.153 -99.200 -91.000 PHE 218 1.000 -6.769 -23.513 21.801 -99.200 -91.000 PHE 222 1.000 3.741 -35.069 19.227 -99.200 -91.000 PHE 229 1.000 4.672 -19.946 15.213 -99.200 -91.000 TYR 236 0.840 -0.755 -21.435 6.773 -99.200 -91.000 TYR 238 0.840 -0.995 -16.017 11.992 -99.200 -91.000 HIS 245 0.900 7.184 -10.543 18.934 -99.200 -91.000 PHE 290 1.000 -9.457 -9.436 22.683 -99.200 -91.000 PHE 293 1.000 -1.075 -4.218 30.836 -99.200 -91.000