============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 6 0.900 -6.835 60.037 39.616 -99.200 -91.000 TYR 34 0.840 -1.070 53.823 53.717 -99.200 -91.000 TYR 55 0.840 -12.881 69.402 56.046 -99.200 -91.000 PHE 58 1.000 -2.844 64.930 48.078 -99.200 -91.000 HIS 59 0.900 2.447 61.277 54.294 -99.200 -91.000 TYR 63 0.840 4.694 57.799 43.559 -99.200 -91.000 PHE 64 1.000 7.590 61.943 42.851 -99.200 -91.000 PHE 74 1.000 11.286 71.927 46.035 -99.200 -91.000 PHE 82 1.000 -9.574 70.582 50.859 -99.200 -91.000 HIS 90 0.900 -21.278 64.518 44.566 -99.200 -91.000 TYR 91 0.840 -16.818 70.987 47.833 -99.200 -91.000 HIS 92 0.900 -11.893 63.808 41.633 -99.200 -91.000 PHE 100 1.000 13.420 68.576 42.104 -99.200 -91.000 TYR 102 0.840 2.464 70.917 44.891 -99.200 -91.000 TYR 105 0.840 -7.095 68.935 38.492 -99.200 -91.000