============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TYR 22 0.840 55.953 85.361 12.618 -99.200 -91.000 TYR 45 0.840 49.800 83.776 20.350 -99.200 -91.000 TYR 46 0.840 49.034 86.149 28.935 -99.200 -91.000 HIS 49 0.900 49.102 99.596 24.591 -99.200 -91.000 TYR 58 0.840 53.330 82.512 30.378 -99.200 -91.000 TYR 81 0.840 50.864 72.777 6.741 -99.200 -91.000 PHE 88 1.000 47.802 67.752 -1.601 -99.200 -91.000 PHE 92 1.000 48.459 67.030 -6.916 -99.200 -91.000 TYR 95 0.840 43.669 61.670 -11.419 -99.200 -91.000 HIS 99 0.900 43.245 60.235 -15.534 -99.200 -91.000