============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 5 0.840 45.681 36.068 -20.022 -99.200 -91.000 PHE 6 1.000 49.280 33.307 -12.988 -99.200 -91.000 TYR 11 0.840 47.695 29.049 -7.151 -99.200 -91.000 PHE 17 1.000 51.568 34.237 -20.055 -99.200 -91.000 HIS 24 0.900 56.308 44.895 -17.767 -99.200 -91.000 PHE 27 1.000 60.637 51.183 -17.028 -99.200 -91.000 TYR 34 0.840 59.671 55.292 -13.834 -99.200 -91.000 HIS 41 0.900 42.351 41.058 -11.783 -99.200 -91.000 TYR 50 0.840 40.365 30.480 -0.331 -99.200 -91.000 TYR 65 0.840 60.339 35.501 -14.574 -99.200 -91.000 TYR 81 0.840 41.881 45.348 -8.135 -99.200 -91.000 HIS 91 0.900 28.198 32.655 -15.589 -99.200 -91.000 TYR 96 0.840 34.703 30.078 -15.142 -99.200 -91.000 TYR 106 0.840 55.486 49.630 -15.019 -99.200 -91.000