============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 14 0.900 -4.283 53.843 96.489 -99.200 -91.000 TYR 36 0.840 1.465 47.678 107.982 -99.200 -91.000 TYR 40 0.840 -13.861 56.872 107.181 -99.200 -91.000 PHE 44 1.000 -22.764 56.953 101.524 -99.200 -91.000 HIS 53 0.900 -14.396 46.320 108.388 -99.200 -91.000 PHE 55 1.000 -11.663 44.456 101.834 -99.200 -91.000 PHE 64 1.000 -7.501 30.840 97.866 -99.200 -91.000 HIS 70 0.900 -2.083 23.120 89.457 -99.200 -91.000 TRP 87 1.040 -13.830 15.566 83.926 -99.200 -91.000 TRP6 87 1.020 -11.598 15.739 83.171 -99.200 -91.000 PHE 88 1.000 -16.018 20.258 81.307 -99.200 -91.000 HIS 105 0.900 -6.077 33.169 82.570 -99.200 -91.000 PHE 112 1.000 -18.390 34.062 83.143 -99.200 -91.000 TRP 124 1.040 -25.794 34.057 86.810 -99.200 -91.000 TRP6 124 1.020 -26.011 33.950 84.453 -99.200 -91.000 PHE 132 1.000 -24.760 35.396 79.636 -99.200 -91.000 PHE 134 1.000 -18.599 27.390 74.203 -99.200 -91.000 HIS 136 0.900 -25.472 36.292 75.485 -99.200 -91.000 TRP 143 1.040 -2.765 24.694 73.048 -99.200 -91.000 TRP6 143 1.020 -1.640 25.097 75.091 -99.200 -91.000 HIS 144 0.900 -6.292 32.901 71.652 -99.200 -91.000 TYR 148 0.840 -8.295 37.016 83.563 -99.200 -91.000 TYR 153 0.840 -8.623 29.660 86.398 -99.200 -91.000 HIS 162 0.900 -17.716 13.455 86.614 -99.200 -91.000 TYR 168 0.840 -16.696 25.840 92.771 -99.200 -91.000 HIS 171 0.900 -10.406 19.278 96.111 -99.200 -91.000 PHE 177 1.000 -11.359 27.995 101.547 -99.200 -91.000 TRP 186 1.040 -17.759 31.751 105.020 -99.200 -91.000 TRP6 186 1.020 -16.765 33.458 106.341 -99.200 -91.000 HIS 190 0.900 -21.265 25.514 94.779 -99.200 -91.000 PHE 193 1.000 -20.638 36.948 101.797 -99.200 -91.000 TYR 202 0.840 -18.470 52.603 99.574 -99.200 -91.000 HIS 204 0.900 -14.669 56.183 94.337 -99.200 -91.000 TRP 214 1.040 -17.572 44.053 85.453 -99.200 -91.000 TRP6 214 1.020 -16.322 45.204 87.099 -99.200 -91.000 TRP 227 1.040 -24.116 54.324 91.323 -99.200 -91.000 TRP6 227 1.020 -22.526 55.380 89.925 -99.200 -91.000 TRP 232 1.040 -24.441 47.739 92.225 -99.200 -91.000 TRP6 232 1.020 -22.953 48.855 90.764 -99.200 -91.000 PHE 233 1.000 -21.551 39.069 89.318 -99.200 -91.000 PHE 254 1.000 -3.735 29.882 98.263 -99.200 -91.000 PHE 259 1.000 4.192 31.621 95.957 -99.200 -91.000 TRP 270 1.040 8.492 23.938 87.116 -99.200 -91.000 TRP6 270 1.020 7.424 22.895 85.278 -99.200 -91.000 PHE 280 1.000 -3.193 43.577 77.931 -99.200 -91.000 PHE 281 1.000 -7.450 41.795 84.037 -99.200 -91.000 HIS 291 0.900 0.054 25.606 83.489 -99.200 -91.000 TYR 298 0.840 3.180 45.227 91.354 -99.200 -91.000 HIS 306 0.900 -5.531 35.708 89.280 -99.200 -91.000 HIS 313 0.900 -15.240 44.555 98.446 -99.200 -91.000 PHE 338 1.000 -10.711 45.610 81.602 -99.200 -91.000 PHE 341 1.000 -6.238 56.632 91.963 -99.200 -91.000 TYR 342 0.840 -11.515 56.484 92.066 -99.200 -91.000