============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. PHE 13 1.000 19.372 5.771 -27.465 -99.200 -91.000 HIS 18 0.900 21.286 -9.509 -15.235 -99.200 -91.000 TYR 20 0.840 20.549 -15.807 -14.567 -99.200 -91.000 TRP 21 1.040 25.736 -12.931 -21.442 -99.200 -91.000 TRP6 21 1.020 26.293 -14.620 -23.000 -99.200 -91.000 TRP 31 1.040 9.453 -22.405 -17.548 -99.200 -91.000 TRP6 31 1.020 8.154 -21.162 -19.089 -99.200 -91.000 TYR 46 0.840 12.337 -17.985 -27.493 -99.200 -91.000 TYR 52 0.840 13.270 -14.646 -30.748 -99.200 -91.000 TYR 59 0.840 13.182 -3.632 -21.414 -99.200 -91.000 TYR 60 0.840 12.685 -5.790 -18.190 -99.200 -91.000 TYR 74 0.840 4.906 -12.193 -19.717 -99.200 -91.000 TRP 77 1.040 2.651 -18.502 -22.184 -99.200 -91.000 TRP6 77 1.020 1.353 -16.561 -22.525 -99.200 -91.000 PHE 78 1.000 3.256 -11.129 -25.405 -99.200 -91.000 PHE 79 1.000 8.799 -17.113 -30.773 -99.200 -91.000 TRP 81 1.040 -1.477 -15.824 -26.388 -99.200 -91.000 TRP6 81 1.020 -1.587 -13.558 -25.705 -99.200 -91.000 HIS 85 0.900 -3.849 -13.603 -31.981 -99.200 -91.000 HIS 91 0.900 -3.780 -23.552 -39.999 -99.200 -91.000 TRP 97 1.040 -8.824 -15.810 -30.063 -99.200 -91.000 TRP6 97 1.020 -6.718 -15.433 -29.059 -99.200 -91.000 HIS 105 0.900 -9.479 -12.084 -20.370 -99.200 -91.000 HIS 114 0.900 -6.730 -21.866 -14.308 -99.200 -91.000 HIS 116 0.900 0.123 -29.276 -11.681 -99.200 -91.000 HIS 117 0.900 -6.340 -25.952 -18.897 -99.200 -91.000 PHE 125 1.000 -1.191 -16.170 -18.659 -99.200 -91.000 TYR 133 0.840 0.063 -12.508 -10.401 -99.200 -91.000 PHE 135 1.000 10.220 -12.342 -8.881 -99.200 -91.000 TRP 140 1.040 4.391 -4.616 -10.247 -99.200 -91.000 TRP6 140 1.020 4.513 -6.776 -11.205 -99.200 -91.000 PHE 144 1.000 1.971 -9.329 -15.451 -99.200 -91.000 HIS 147 0.900 -0.996 -1.912 -16.686 -99.200 -91.000 PHE 148 1.000 -1.031 -11.184 -20.585 -99.200 -91.000 HIS 149 0.900 -7.868 -10.023 -16.591 -99.200 -91.000 TYR 155 0.840 -1.779 -10.728 -28.681 -99.200 -91.000 PHE 159 1.000 -9.527 -15.511 -34.162 -99.200 -91.000 HIS 160 0.900 -13.399 -11.805 -33.170 -99.200 -91.000 TYR 173 0.840 -0.401 -1.508 -36.272 -99.200 -91.000 PHE 181 1.000 6.534 -4.339 -28.473 -99.200 -91.000 HIS 183 0.900 3.685 0.049 -26.544 -99.200 -91.000 TRP 184 1.040 0.373 0.758 -21.541 -99.200 -91.000 TRP6 184 1.020 1.794 2.623 -21.338 -99.200 -91.000 TRP 186 1.040 6.809 -5.849 -23.082 -99.200 -91.000 TRP6 186 1.020 7.345 -8.080 -22.514 -99.200 -91.000 HIS 205 0.900 7.384 13.786 -13.319 -99.200 -91.000 TYR 208 0.840 8.669 5.734 -14.518 -99.200 -91.000 PHE 218 1.000 14.092 1.938 -31.399 -99.200 -91.000 TRP 221 1.040 5.611 3.110 -33.294 -99.200 -91.000 TRP6 221 1.020 3.731 1.680 -33.375 -99.200 -91.000 TYR 222 0.840 14.857 -1.015 -35.792 -99.200 -91.000 HIS 238 0.900 -4.265 -6.325 -37.568 -99.200 -91.000 HIS 247 0.900 -7.238 1.757 -43.715 -99.200 -91.000 HIS 248 0.900 -3.010 7.448 -44.153 -99.200 -91.000 PHE 270 1.000 14.461 7.286 -23.794 -99.200 -91.000 PHE 280 1.000 9.508 12.239 -10.629 -99.200 -91.000 TRP 308 1.040 11.994 -2.297 -24.902 -99.200 -91.000 TRP6 308 1.020 12.472 -4.588 -25.254 -99.200 -91.000 PHE 309 1.000 14.716 4.221 -27.294 -99.200 -91.000 TYR 313 0.840 20.290 -0.284 -34.511 -99.200 -91.000 TRP 314 1.040 23.513 -2.559 -30.948 -99.200 -91.000 TRP6 314 1.020 24.730 -2.278 -32.957 -99.200 -91.000 PHE 315 1.000 16.820 -10.931 -30.895 -99.200 -91.000 HIS 316 0.900 14.326 -6.517 -34.911 -99.200 -91.000 HIS 317 0.900 20.901 -3.343 -37.471 -99.200 -91.000