============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 2 1.000 -7.819 34.447 8.176 -99.200 -91.000 HIS 5 0.900 5.747 30.113 3.291 -99.200 -91.000 HIS 12 0.900 -0.618 23.502 12.007 -99.200 -91.000 TYR 25 0.840 -6.368 35.020 23.642 -99.200 -91.000 HIS 38 0.900 -0.081 24.096 2.197 -99.200 -91.000 TRP 41 1.040 4.641 17.537 10.024 -99.200 -91.000 TRP6 41 1.020 6.029 16.786 11.804 -99.200 -91.000 HIS 45 0.900 0.546 14.146 13.840 -99.200 -91.000 HIS 50 0.900 9.390 20.771 17.124 -99.200 -91.000 HIS 52 0.900 7.916 22.495 22.834 -99.200 -91.000 HIS 62 0.900 -8.544 23.603 25.201 -99.200 -91.000 TYR 71 0.840 6.590 13.891 5.882 -99.200 -91.000 HIS 78 0.900 4.345 5.809 14.448 -99.200 -91.000 HIS 85 0.900 10.792 14.840 23.479 -99.200 -91.000 TYR 95 0.840 -5.746 12.809 27.418 -99.200 -91.000 PHE 105 1.000 8.681 5.227 5.650 -99.200 -91.000 TYR 112 0.840 10.378 5.150 13.369 -99.200 -91.000