============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TRP 7 1.040 45.485 32.275 11.787 -99.200 -91.000 TRP6 7 1.020 44.644 31.421 13.794 -99.200 -91.000 HIS 10 0.900 32.853 30.562 5.537 -99.200 -91.000 HIS 12 0.900 30.797 25.430 6.492 -99.200 -91.000 PHE 15 1.000 30.600 17.148 15.484 -99.200 -91.000 HIS 35 0.900 51.035 31.835 9.165 -99.200 -91.000 HIS 42 0.900 25.939 26.011 7.303 -99.200 -91.000 TRP 48 1.040 32.672 25.689 18.610 -99.200 -91.000 TRP6 48 1.020 32.404 27.634 19.909 -99.200 -91.000 HIS 78 0.900 24.684 31.546 4.364 -99.200 -91.000 PHE 81 1.000 35.081 33.443 12.890 -99.200 -91.000 TYR 83 0.840 29.441 31.594 19.588 -99.200 -91.000 HIS 89 0.900 19.222 35.963 22.380 -99.200 -91.000 PHE 93 1.000 24.221 29.106 17.434 -99.200 -91.000 PHE 114 1.000 14.149 14.082 -8.293 -99.200 -91.000 TRP 118 1.040 14.217 11.541 8.066 -99.200 -91.000 TRP6 118 1.020 14.974 13.656 7.346 -99.200 -91.000 HIS 137 0.900 23.470 17.179 6.110 -99.200 -91.000 TYR 148 0.840 20.363 16.098 -9.166 -99.200 -91.000 PHE 155 1.000 23.388 22.367 -2.506 -99.200 -91.000 TYR 165 0.840 10.789 18.345 -6.377 -99.200 -91.000 TYR 166 0.840 14.521 26.893 -1.136 -99.200 -91.000 HIS 175 0.900 19.079 44.737 11.682 -99.200 -91.000 HIS 192 0.900 28.325 33.621 1.721 -99.200 -91.000 TRP 221 1.040 41.087 38.889 1.564 -99.200 -91.000 TRP6 221 1.020 41.283 40.463 -0.177 -99.200 -91.000 HIS 222 0.900 33.179 32.626 -0.032 -99.200 -91.000 HIS 240 0.900 31.037 52.650 7.856 -99.200 -91.000 TRP 250 1.040 37.869 21.610 3.036 -99.200 -91.000 TRP6 250 1.020 37.894 20.414 5.058 -99.200 -91.000 HIS 251 0.900 30.648 23.645 2.827 -99.200 -91.000