============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 13 0.840 74.328 -1.179 -3.302 -99.200 -91.000 PHE 19 1.000 80.047 13.239 0.102 -99.200 -91.000 TRP 25 1.040 68.491 12.662 -1.414 -99.200 -91.000 TRP6 25 1.020 68.035 11.447 0.563 -99.200 -91.000 HIS 44 0.900 45.119 26.244 -2.724 -99.200 -91.000 TYR 52 0.840 36.100 23.683 -10.037 -99.200 -91.000 TYR 71 0.840 54.923 14.903 -3.273 -99.200 -91.000 HIS 76 0.900 60.705 5.772 -9.324 -99.200 -91.000 TYR 79 0.840 60.890 3.191 -1.440 -99.200 -91.000 HIS 96 0.900 72.764 -9.283 18.551 -99.200 -91.000 HIS 108 0.900 70.755 -1.264 14.857 -99.200 -91.000 TYR 140 0.840 52.341 4.362 -3.803 -99.200 -91.000 TYR 145 0.840 43.173 15.388 -8.825 -99.200 -91.000 PHE 177 1.000 43.887 14.717 -3.494 -99.200 -91.000 HIS 187 0.900 56.215 16.278 7.516 -99.200 -91.000 TYR 199 0.840 76.117 9.613 4.741 -99.200 -91.000 TRP 203 1.040 81.539 10.836 7.237 -99.200 -91.000 TRP6 203 1.020 83.375 9.539 6.502 -99.200 -91.000 HIS 215 0.900 96.769 -0.452 21.010 -99.200 -91.000