============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 4 0.900 90.347 14.516 32.463 -99.200 -91.000 TYR 26 0.840 96.391 -9.040 12.627 -99.200 -91.000 TRP 37 1.040 87.291 -1.909 9.362 -99.200 -91.000 TRP6 37 1.020 88.785 -1.982 11.186 -99.200 -91.000 HIS 38 0.900 93.653 -0.274 7.536 -99.200 -91.000 HIS 41 0.900 90.967 0.720 14.627 -99.200 -91.000 TYR 42 0.840 94.647 3.368 13.388 -99.200 -91.000 HIS 69 0.900 95.153 -9.777 4.041 -99.200 -91.000 TRP 74 1.040 107.092 -1.748 0.610 -99.200 -91.000 TRP6 74 1.020 105.593 -3.044 1.902 -99.200 -91.000 HIS 102 0.900 112.265 -6.611 9.186 -99.200 -91.000 TYR 111 0.840 103.366 -14.310 -0.023 -99.200 -91.000 TYR 126 0.840 106.009 -17.819 14.476 -99.200 -91.000 PHE 144 1.000 113.315 -0.458 11.584 -99.200 -91.000 TYR 156 0.840 101.911 8.465 10.477 -99.200 -91.000 HIS 162 0.900 106.817 -3.713 17.970 -99.200 -91.000 HIS 165 0.900 104.616 -6.550 21.985 -99.200 -91.000 TYR 167 0.840 106.537 -8.825 16.185 -99.200 -91.000 HIS 170 0.900 112.069 -9.293 22.443 -99.200 -91.000 PHE 172 1.000 120.051 -8.427 14.694 -99.200 -91.000 TYR 184 0.840 125.339 -5.519 13.418 -99.200 -91.000 PHE 194 1.000 118.567 -4.179 13.379 -99.200 -91.000 TRP 206 1.040 110.948 11.882 14.085 -99.200 -91.000 TRP6 206 1.020 108.956 11.609 12.836 -99.200 -91.000 PHE 213 1.000 106.272 8.373 22.383 -99.200 -91.000 TYR 221 0.840 107.365 -12.362 31.401 -99.200 -91.000 TYR 234 0.840 119.952 -4.629 25.656 -99.200 -91.000 TYR 260 0.840 99.737 -9.429 37.426 -99.200 -91.000 TYR 263 0.840 100.713 -8.484 31.332 -99.200 -91.000 TYR 267 0.840 108.499 -6.423 33.488 -99.200 -91.000 TYR 314 0.840 82.783 7.985 20.762 -99.200 -91.000 TRP 315 1.040 88.624 4.004 29.361 -99.200 -91.000 TRP6 315 1.020 90.162 5.518 30.326 -99.200 -91.000 HIS 318 0.900 82.309 6.629 27.782 -99.200 -91.000 TYR 320 0.840 87.217 14.811 27.972 -99.200 -91.000 TRP 326 1.040 81.423 14.705 26.612 -99.200 -91.000 TRP6 326 1.020 80.486 12.699 25.824 -99.200 -91.000 TYR 330 0.840 79.402 12.559 18.692 -99.200 -91.000 PHE 334 1.000 78.820 16.294 31.100 -99.200 -91.000