============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 12 1.040 1.665 24.451 52.482 -99.200 -91.000 TRP6 12 1.020 -0.324 24.314 51.186 -99.200 -91.000 TRP 14 1.040 -2.853 24.437 57.304 -99.200 -91.000 TRP6 14 1.020 -3.893 26.027 55.874 -99.200 -91.000 TYR 24 0.840 16.764 14.703 67.484 -99.200 -91.000 TRP 25 1.040 12.336 18.631 73.363 -99.200 -91.000 TRP6 25 1.020 10.625 17.368 74.404 -99.200 -91.000 HIS 27 0.900 8.126 15.531 62.058 -99.200 -91.000 PHE 28 1.000 5.355 12.116 67.805 -99.200 -91.000 HIS 35 0.900 -9.858 26.929 69.652 -99.200 -91.000 TRP 38 1.040 -8.840 22.536 71.477 -99.200 -91.000 TRP6 38 1.020 -8.980 20.470 72.631 -99.200 -91.000 HIS 44 0.900 -0.537 6.495 62.422 -99.200 -91.000 HIS 64 0.900 14.789 25.737 55.956 -99.200 -91.000 TYR 66 0.840 14.551 18.301 64.095 -99.200 -91.000 TYR 67 0.840 18.411 23.756 61.008 -99.200 -91.000 HIS 80 0.900 -13.558 8.028 67.436 -99.200 -91.000 PHE 83 1.000 -5.506 4.019 66.653 -99.200 -91.000 TYR 84 0.840 -9.334 -2.420 67.129 -99.200 -91.000 HIS 108 0.900 -4.153 31.437 58.775 -99.200 -91.000 PHE 119 1.000 -12.903 18.042 51.182 -99.200 -91.000 TRP 126 1.040 -1.754 21.909 46.432 -99.200 -91.000 TRP6 126 1.020 0.349 22.132 45.350 -99.200 -91.000 TRP 130 1.040 9.044 19.925 58.318 -99.200 -91.000 TRP6 130 1.020 7.149 20.597 59.574 -99.200 -91.000 PHE 141 1.000 16.643 17.687 59.159 -99.200 -91.000 HIS 154 0.900 -17.907 3.292 46.711 -99.200 -91.000 TYR 160 0.840 -4.599 0.578 49.147 -99.200 -91.000 HIS 161 0.900 -10.531 -5.372 47.482 -99.200 -91.000 TYR 165 0.840 -2.197 -14.031 48.298 -99.200 -91.000 TRP 203 1.040 -5.792 27.150 50.851 -99.200 -91.000 TRP6 203 1.020 -5.130 25.482 49.303 -99.200 -91.000 TRP 211 1.040 -4.509 3.219 56.116 -99.200 -91.000 TRP6 211 1.020 -4.661 1.512 54.469 -99.200 -91.000 TYR 224 0.840 -4.064 11.645 52.666 -99.200 -91.000 TYR 229 0.840 -17.329 8.039 59.709 -99.200 -91.000 TYR 230 0.840 -13.633 9.622 62.643 -99.200 -91.000 TRP 233 1.040 -13.993 12.047 69.090 -99.200 -91.000 TRP6 233 1.020 -11.826 12.826 68.496 -99.200 -91.000 HIS 235 0.900 -17.937 20.541 64.929 -99.200 -91.000 HIS 236 0.900 -17.827 15.599 74.020 -99.200 -91.000 TYR 237 0.840 -13.336 15.532 73.294 -99.200 -91.000