============================================================================= 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 -27.775 78.040 85.544 -99.200 -91.000 TYR 36 0.840 -19.611 67.550 90.918 -99.200 -91.000 TYR 40 0.840 -35.059 66.045 82.035 -99.200 -91.000 PHE 44 1.000 -39.639 69.282 73.833 -99.200 -91.000 HIS 53 0.900 -26.002 62.909 77.005 -99.200 -91.000 PHE 55 1.000 -22.972 69.589 76.503 -99.200 -91.000 PHE 64 1.000 -9.095 72.365 72.808 -99.200 -91.000 HIS 70 0.900 0.591 81.137 71.040 -99.200 -91.000 TRP 87 1.040 1.562 81.631 56.373 -99.200 -91.000 TRP6 87 1.020 2.600 82.910 58.063 -99.200 -91.000 PHE 88 1.000 -3.606 84.376 55.710 -99.200 -91.000 HIS 105 0.900 -10.425 87.713 70.273 -99.200 -91.000 PHE 112 1.000 -16.920 84.075 60.661 -99.200 -91.000 TRP 124 1.040 -20.663 78.746 55.449 -99.200 -91.000 TRP6 124 1.020 -20.511 80.896 54.475 -99.200 -91.000 PHE 132 1.000 -21.192 85.811 54.344 -99.200 -91.000 PHE 134 1.000 -11.198 91.624 54.533 -99.200 -91.000 HIS 136 0.900 -22.720 90.166 53.118 -99.200 -91.000 TRP 143 1.040 -1.191 96.684 66.592 -99.200 -91.000 TRP6 143 1.020 -1.016 95.038 68.287 -99.200 -91.000 HIS 144 0.900 -9.937 98.060 66.346 -99.200 -91.000 TYR 148 0.840 -14.858 86.959 70.345 -99.200 -91.000 TYR 153 0.840 -8.505 82.928 67.749 -99.200 -91.000 HIS 162 0.900 1.496 77.647 53.136 -99.200 -91.000 TYR 168 0.840 -9.106 74.179 61.313 -99.200 -91.000 HIS 171 0.900 -0.269 71.776 64.690 -99.200 -91.000 PHE 177 1.000 -8.364 67.586 69.473 -99.200 -91.000 TRP 186 1.040 -14.890 63.283 66.760 -99.200 -91.000 TRP6 186 1.020 -15.960 62.487 68.715 -99.200 -91.000 HIS 190 0.900 -10.879 71.011 57.958 -99.200 -91.000 PHE 193 1.000 -20.675 66.361 65.698 -99.200 -91.000 TYR 202 0.840 -33.540 71.320 73.956 -99.200 -91.000 HIS 204 0.900 -34.426 78.137 77.142 -99.200 -91.000 TRP 210 1.040 -25.255 83.707 66.406 -99.200 -91.000 TRP6 210 1.020 -25.780 82.542 68.405 -99.200 -91.000 TRP 221 1.040 -37.816 77.746 67.609 -99.200 -91.000 TRP6 221 1.020 -37.508 79.933 68.463 -99.200 -91.000 TRP 226 1.040 -32.164 75.874 64.525 -99.200 -91.000 TRP6 226 1.020 -32.702 77.832 65.739 -99.200 -91.000 PHE 227 1.000 -23.041 78.517 62.228 -99.200 -91.000 PHE 248 1.000 -6.467 72.870 75.518 -99.200 -91.000 PHE 253 1.000 -4.227 77.704 82.057 -99.200 -91.000 TRP 264 1.040 4.449 86.325 79.827 -99.200 -91.000 TRP6 264 1.020 4.869 87.714 77.958 -99.200 -91.000 PHE 274 1.000 -18.461 94.490 75.408 -99.200 -91.000 PHE 275 1.000 -18.572 87.202 73.554 -99.200 -91.000 HIS 285 0.900 -0.874 87.667 72.577 -99.200 -91.000 TYR 292 0.840 -16.725 83.481 86.243 -99.200 -91.000 HIS 300 0.900 -12.535 82.017 73.981 -99.200 -91.000 HIS 307 0.900 -24.865 71.937 72.701 -99.200 -91.000 PHE 332 1.000 -23.771 89.058 71.975 -99.200 -91.000 PHE 335 1.000 -31.019 82.077 83.998 -99.200 -91.000 TYR 336 0.840 -33.526 80.699 79.479 -99.200 -91.000