============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 13 0.840 9.859 7.203 12.203 -99.200 -91.000 PHE 27 1.000 10.253 7.478 5.448 -99.200 -91.000 HIS 53 0.900 20.881 25.132 1.698 -99.200 -91.000 TYR 57 0.840 22.040 15.204 -2.097 -99.200 -91.000 PHE 66 1.000 21.404 13.296 -9.826 -99.200 -91.000 PHE 68 1.000 19.197 7.762 -5.427 -99.200 -91.000 PHE 72 1.000 14.802 2.892 -5.911 -99.200 -91.000 TYR 83 0.840 14.204 -8.056 -2.872 -99.200 -91.000 PHE 92 1.000 0.928 9.991 -14.781 -99.200 -91.000 PHE 97 1.000 2.064 23.093 -20.132 -99.200 -91.000 HIS 98 0.900 9.981 20.135 -25.992 -99.200 -91.000 PHE 103 1.000 13.255 15.453 -16.605 -99.200 -91.000 TYR 110 0.840 21.645 6.835 -16.966 -99.200 -91.000 PHE 111 1.000 16.753 10.042 -12.053 -99.200 -91.000 HIS 117 0.900 3.439 15.254 -23.034 -99.200 -91.000 PHE 120 1.000 -2.005 16.549 -14.906 -99.200 -91.000 TYR 129 0.840 -3.406 6.813 -18.812 -99.200 -91.000 TRP 133 1.040 1.845 4.525 -16.275 -99.200 -91.000 TRP6 133 1.020 3.496 4.822 -14.613 -99.200 -91.000 PHE 151 1.000 -5.278 14.751 -10.711 -99.200 -91.000 TYR 156 0.840 -1.353 24.457 -16.274 -99.200 -91.000 TYR 164 0.840 3.355 -5.439 -2.740 -99.200 -91.000 PHE 165 1.000 10.570 -5.690 0.453 -99.200 -91.000 TRP 169 1.040 8.926 -13.566 6.904 -99.200 -91.000 TRP6 169 1.020 9.908 -11.471 7.359 -99.200 -91.000 PHE 173 1.000 7.275 -15.596 11.348 -99.200 -91.000 PHE 181 1.000 -0.465 -14.833 20.865 -99.200 -91.000 PHE 183 1.000 -0.177 -4.132 18.139 -99.200 -91.000 TYR 197 0.840 6.208 -20.020 18.336 -99.200 -91.000 PHE 202 1.000 13.700 -15.058 13.971 -99.200 -91.000 TYR 203 0.840 21.691 -11.659 11.573 -99.200 -91.000 TYR 204 0.840 17.060 -10.416 21.408 -99.200 -91.000 PHE 207 1.000 21.034 -2.685 20.504 -99.200 -91.000 TYR 218 0.840 16.258 0.170 22.049 -99.200 -91.000 TYR 225 0.840 12.115 -9.521 3.942 -99.200 -91.000 TRP 258 1.040 19.441 -0.200 17.173 -99.200 -91.000 TRP6 258 1.020 17.702 1.067 16.186 -99.200 -91.000 TYR 270 0.840 5.304 -15.750 20.989 -99.200 -91.000 PHE 274 1.000 3.283 -5.737 9.839 -99.200 -91.000 PHE 295 1.000 6.561 21.440 -4.332 -99.200 -91.000 PHE 311 1.000 2.235 25.688 -11.013 -99.200 -91.000 HIS 317 0.900 6.862 7.397 -1.266 -99.200 -91.000 PHE 320 1.000 -0.336 -2.737 0.501 -99.200 -91.000 TYR 341 0.840 16.734 -21.697 21.708 -99.200 -91.000 HIS 348 0.900 4.971 -3.729 22.950 -99.200 -91.000 PHE 350 1.000 5.809 -3.669 14.458 -99.200 -91.000 PHE 351 1.000 12.327 2.939 13.388 -99.200 -91.000 PHE 352 1.000 7.956 -0.762 9.296 -99.200 -91.000 PHE 364 1.000 9.819 -0.180 1.324 -99.200 -91.000 HIS 370 0.900 -3.741 2.702 14.971 -99.200 -91.000