============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 12 1.000 55.417 107.379 7.259 -99.200 -91.000 PHE 19 1.000 53.805 101.573 0.588 -99.200 -91.000 TYR 22 0.840 65.689 95.566 2.548 -99.200 -91.000 TYR 31 0.840 57.480 102.292 6.452 -99.200 -91.000 PHE 44 1.000 70.676 91.063 21.485 -99.200 -91.000 PHE 59 1.000 82.128 93.497 8.368 -99.200 -91.000 TYR 64 0.840 63.943 94.100 7.829 -99.200 -91.000 PHE 70 1.000 72.505 100.929 9.843 -99.200 -91.000 HIS 78 0.900 73.743 102.107 23.205 -99.200 -91.000 TYR 80 0.840 73.177 104.193 12.083 -99.200 -91.000 HIS 86 0.900 81.917 94.477 -1.225 -99.200 -91.000 PHE 110 1.000 84.485 92.107 12.886 -99.200 -91.000 TYR 135 0.840 63.287 99.830 23.661 -99.200 -91.000 HIS 139 0.900 67.407 103.629 27.310 -99.200 -91.000 TYR 147 0.840 69.496 108.743 13.607 -99.200 -91.000 TYR 148 0.840 74.954 109.390 9.932 -99.200 -91.000 PHE 151 1.000 85.572 106.108 11.871 -99.200 -91.000 HIS 164 0.900 66.719 112.085 15.993 -99.200 -91.000 PHE 170 1.000 70.262 114.995 3.617 -99.200 -91.000 TRP 173 1.040 67.542 121.697 1.529 -99.200 -91.000 TRP6 173 1.020 69.201 120.280 0.630 -99.200 -91.000 PHE 180 1.000 67.640 116.647 -3.245 -99.200 -91.000 TYR 194 0.840 72.093 100.873 4.639 -99.200 -91.000 PHE 196 1.000 79.612 107.986 -0.641 -99.200 -91.000 TYR 202 0.840 70.075 104.189 0.213 -99.200 -91.000 TRP 203 1.040 69.706 106.007 5.995 -99.200 -91.000 TRP6 203 1.020 68.737 107.060 7.867 -99.200 -91.000 PHE 214 1.000 61.783 98.660 -4.685 -99.200 -91.000 PHE 224 1.000 81.229 96.592 -12.581 -99.200 -91.000 PHE 228 1.000 75.124 99.071 -14.193 -99.200 -91.000 TRP 239 1.040 70.963 105.774 -10.562 -99.200 -91.000 TRP6 239 1.020 70.970 103.747 -11.806 -99.200 -91.000 PHE 245 1.000 75.778 102.152 -9.713 -99.200 -91.000 PHE 255 1.000 71.010 104.461 -16.572 -99.200 -91.000 HIS 265 0.900 61.750 112.679 -9.314 -99.200 -91.000 PHE 266 1.000 68.308 108.851 -13.704 -99.200 -91.000 TYR 267 0.840 66.457 112.625 -5.698 -99.200 -91.000 PHE 268 1.000 73.232 111.395 -11.244 -99.200 -91.000 PHE 282 1.000 68.050 116.140 -18.994 -99.200 -91.000 PHE 285 1.000 66.468 106.340 -17.692 -99.200 -91.000 TYR 294 0.840 79.703 121.147 -2.268 -99.200 -91.000 TYR 316 0.840 74.813 126.934 -17.167 -99.200 -91.000 TYR 323 0.840 68.741 127.836 -6.717 -99.200 -91.000 TYR 331 0.840 78.226 133.246 5.361 -99.200 -91.000 TYR 359 0.840 87.164 115.468 10.994 -99.200 -91.000 PHE 370 1.000 84.091 119.651 11.788 -99.200 -91.000 PHE 371 1.000 85.568 128.374 10.283 -99.200 -91.000 PHE 373 1.000 82.130 133.466 8.570 -99.200 -91.000 TYR 379 0.840 84.221 120.454 7.102 -99.200 -91.000 HIS 380 0.900 88.564 126.595 7.316 -99.200 -91.000 TYR 395 0.840 84.007 121.085 -7.141 -99.200 -91.000 PHE 401 1.000 93.041 116.611 -6.122 -99.200 -91.000 TYR 405 0.840 102.994 123.558 -16.694 -99.200 -91.000 TYR 408 0.840 99.824 131.917 -16.241 -99.200 -91.000 TYR 434 0.840 103.674 117.043 -8.078 -99.200 -91.000 HIS 438 0.900 110.061 115.802 -4.129 -99.200 -91.000 TYR 446 0.840 95.647 108.652 -16.126 -99.200 -91.000 PHE 457 1.000 90.688 110.767 -35.039 -99.200 -91.000 HIS 474 0.900 87.037 124.925 -24.850 -99.200 -91.000 TYR 478 0.840 97.714 129.774 -18.393 -99.200 -91.000 PHE 484 1.000 95.254 114.867 -24.685 -99.200 -91.000 TYR 486 0.840 93.999 108.776 -26.218 -99.200 -91.000