============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 13.561 40.128 53.029 -99.200 -91.000 TRP6 14 1.020 14.840 41.982 52.331 -99.200 -91.000 PHE 19 1.000 9.230 28.529 68.406 -99.200 -91.000 TRP 37 1.040 -0.978 44.254 57.408 -99.200 -91.000 TRP6 37 1.020 -2.811 42.753 57.545 -99.200 -91.000 HIS 43 0.900 2.517 24.715 52.234 -99.200 -91.000 TYR 47 0.840 -2.068 19.663 52.822 -99.200 -91.000 TRP 49 1.040 -0.442 15.795 55.265 -99.200 -91.000 TRP6 49 1.020 1.549 16.979 54.804 -99.200 -91.000 PHE 53 1.000 -0.517 24.681 63.194 -99.200 -91.000 HIS 65 0.900 22.933 34.567 61.355 -99.200 -91.000 TYR 70 0.840 14.533 35.487 73.587 -99.200 -91.000 TYR 84 0.840 -7.141 39.050 57.619 -99.200 -91.000 HIS 86 0.900 -7.020 33.897 47.041 -99.200 -91.000 TYR 89 0.840 -4.608 26.569 50.709 -99.200 -91.000 TRP 91 1.040 -8.086 22.863 51.337 -99.200 -91.000 TRP6 91 1.020 -9.183 20.776 51.670 -99.200 -91.000 PHE 110 1.000 9.876 48.587 59.842 -99.200 -91.000 TYR 113 0.840 20.636 43.268 64.226 -99.200 -91.000 HIS 115 0.900 14.200 48.354 56.239 -99.200 -91.000 TYR 132 0.840 16.233 38.291 33.784 -99.200 -91.000 TRP 139 1.040 16.609 29.981 60.541 -99.200 -91.000 TRP6 139 1.020 15.050 31.754 60.374 -99.200 -91.000 TRP 146 1.040 8.643 16.646 52.777 -99.200 -91.000 TRP6 146 1.020 9.941 17.875 51.235 -99.200 -91.000 PHE 184 1.000 8.160 32.356 40.852 -99.200 -91.000 TYR 188 0.840 21.521 26.658 39.632 -99.200 -91.000 PHE 207 1.000 12.684 33.188 43.307 -99.200 -91.000 PHE 213 1.000 14.938 47.962 35.617 -99.200 -91.000 TRP 217 1.040 17.600 43.168 48.300 -99.200 -91.000 TRP6 217 1.020 18.471 41.185 47.314 -99.200 -91.000 TYR 218 0.840 10.772 45.855 43.972 -99.200 -91.000 TRP 225 1.040 3.441 23.240 44.491 -99.200 -91.000 TRP6 225 1.020 3.922 21.632 42.823 -99.200 -91.000 TYR 235 0.840 13.208 22.128 37.017 -99.200 -91.000 PHE 237 1.000 6.402 23.389 40.149 -99.200 -91.000 TYR 238 0.840 10.302 29.005 44.665 -99.200 -91.000 HIS 240 0.900 3.433 35.546 39.146 -99.200 -91.000 PHE 242 1.000 1.632 42.378 39.375 -99.200 -91.000 TRP 247 1.040 -6.944 37.731 49.226 -99.200 -91.000 TRP6 247 1.020 -5.099 37.048 50.566 -99.200 -91.000 PHE 255 1.000 -10.847 48.431 60.370 -99.200 -91.000