============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 11 1.000 -17.796 -1.376 38.618 -99.200 -91.000 TRP 15 1.040 -20.153 6.063 36.630 -99.200 -91.000 TRP6 15 1.020 -22.284 5.120 36.251 -99.200 -91.000 TYR 25 0.840 -11.896 17.310 32.337 -99.200 -91.000 HIS 42 0.900 -18.892 -0.631 27.673 -99.200 -91.000 HIS 52 0.900 -16.609 17.535 23.203 -99.200 -91.000 TRP 56 1.040 -6.378 7.776 21.442 -99.200 -91.000 TRP6 56 1.020 -4.748 8.689 20.013 -99.200 -91.000 PHE 66 1.000 -1.244 2.380 27.805 -99.200 -91.000 PHE 77 1.000 -8.427 11.250 35.286 -99.200 -91.000 HIS 78 0.900 -2.245 2.583 34.402 -99.200 -91.000 PHE 117 1.000 -1.568 2.787 39.924 -99.200 -91.000 HIS 129 0.900 -3.875 -7.635 64.454 -99.200 -91.000 TYR 134 0.840 -5.446 -1.938 57.624 -99.200 -91.000 TRP 139 1.040 2.813 1.705 51.652 -99.200 -91.000 TRP6 139 1.020 2.337 1.674 49.339 -99.200 -91.000 PHE 144 1.000 -0.743 -12.858 55.225 -99.200 -91.000 TRP 153 1.040 -0.615 -15.407 44.792 -99.200 -91.000 TRP6 153 1.020 1.472 -14.746 43.903 -99.200 -91.000 TYR 155 0.840 -5.444 -10.379 39.932 -99.200 -91.000 PHE 156 1.000 -4.990 -9.271 47.525 -99.200 -91.000 TRP 167 1.040 3.283 6.706 45.588 -99.200 -91.000 TRP6 167 1.020 2.650 8.947 45.246 -99.200 -91.000 TYR 169 0.840 9.843 7.575 35.919 -99.200 -91.000 PHE 177 1.000 1.739 8.192 40.752 -99.200 -91.000 PHE 189 1.000 -23.067 -3.354 35.545 -99.200 -91.000 HIS 211 0.900 -15.720 -13.730 44.041 -99.200 -91.000 TYR 212 0.840 -19.800 -16.180 51.028 -99.200 -91.000 PHE 220 1.000 -18.877 -3.331 51.280 -99.200 -91.000 HIS 222 0.900 -22.833 4.750 43.650 -99.200 -91.000 HIS 230 0.900 -10.542 7.443 40.092 -99.200 -91.000 TYR 232 0.840 -12.171 17.421 45.743 -99.200 -91.000 PHE 234 1.000 -6.754 16.486 35.689 -99.200 -91.000 TYR 243 0.840 -5.717 12.660 48.568 -99.200 -91.000 HIS 248 0.900 -21.546 3.722 53.300 -99.200 -91.000 TYR 263 0.840 -32.157 -6.506 46.416 -99.200 -91.000 TYR 266 0.840 -31.894 -11.975 44.125 -99.200 -91.000 PHE 272 1.000 -22.700 -14.955 55.164 -99.200 -91.000 PHE 284 1.000 -8.831 -0.229 53.393 -99.200 -91.000 PHE 294 1.000 -15.305 12.869 47.034 -99.200 -91.000 PHE 296 1.000 -16.553 9.271 50.354 -99.200 -91.000 TYR 298 0.840 -24.219 8.148 44.581 -99.200 -91.000 PHE 304 1.000 -23.667 -4.108 48.247 -99.200 -91.000 HIS 321 0.900 -31.052 -16.720 44.304 -99.200 -91.000