============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 1 0.900 -7.382 -10.824 27.426 -99.200 -91.000 HIS 44 0.900 13.154 -3.848 19.419 -99.200 -91.000 PHE 49 1.000 22.122 -2.417 18.143 -99.200 -91.000 HIS 51 0.900 16.651 6.698 14.584 -99.200 -91.000 PHE 53 1.000 24.002 0.826 10.978 -99.200 -91.000 TYR 57 0.840 23.795 2.356 2.711 -99.200 -91.000 PHE 74 1.000 25.627 -3.391 1.245 -99.200 -91.000 PHE 76 1.000 14.583 -3.341 2.700 -99.200 -91.000 TRP 82 1.040 24.330 -3.008 11.433 -99.200 -91.000 TRP6 82 1.020 25.592 -3.584 13.380 -99.200 -91.000 HIS 89 0.900 22.422 -7.683 21.015 -99.200 -91.000 PHE 108 1.000 4.343 -9.099 10.138 -99.200 -91.000 HIS 112 0.900 1.780 3.571 -2.357 -99.200 -91.000 HIS 118 0.900 -1.587 -7.592 3.890 -99.200 -91.000 TYR 127 0.840 3.942 -16.444 16.731 -99.200 -91.000 TYR 136 0.840 12.652 -6.077 14.485 -99.200 -91.000 PHE 149 1.000 14.671 -0.303 -1.400 -99.200 -91.000 HIS 160 0.900 -1.403 -1.566 10.370 -99.200 -91.000 PHE 161 1.000 0.973 -4.770 13.678 -99.200 -91.000 TYR 179 0.840 8.502 17.541 29.974 -99.200 -91.000 HIS 186 0.900 11.916 25.798 23.914 -99.200 -91.000