============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. HIS 19 0.900 4.149 -2.026 52.526 -99.200 -91.000 PHE 20 1.000 11.879 -2.501 49.679 -99.200 -91.000 HIS 41 0.900 8.971 12.572 39.932 -99.200 -91.000 PHE 43 1.000 11.350 3.540 44.239 -99.200 -91.000 HIS 44 0.900 18.134 5.988 41.245 -99.200 -91.000 HIS 46 0.900 20.882 7.058 46.330 -99.200 -91.000 PHE 48 1.000 27.873 4.402 52.753 -99.200 -91.000 HIS 61 0.900 22.130 5.875 41.929 -99.200 -91.000 PHE 62 1.000 24.055 -2.788 47.752 -99.200 -91.000 HIS 69 0.900 21.857 5.038 36.779 -99.200 -91.000 HIS 78 0.900 25.324 2.438 39.595 -99.200 -91.000 TYR 108 0.840 24.486 -9.758 44.780 -99.200 -91.000 HIS 118 0.900 17.398 10.584 42.812 -99.200 -91.000