============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 23 0.840 3.240 -23.753 2.376 -99.200 -91.000 PHE 30 1.000 14.009 -25.015 0.841 -99.200 -91.000 TYR 31 0.840 8.291 -24.306 -0.408 -99.200 -91.000 TYR 35 0.840 9.725 -15.438 -7.117 -99.200 -91.000 TYR 42 0.840 21.791 -14.085 -6.550 -99.200 -91.000 HIS 48 0.900 24.066 -7.106 1.439 -99.200 -91.000 TYR 51 0.840 19.523 -4.468 -7.098 -99.200 -91.000 PHE 61 1.000 8.760 -9.592 0.719 -99.200 -91.000 PHE 66 1.000 13.782 -8.409 -0.068 -99.200 -91.000 HIS 71 0.900 18.019 -11.462 10.071 -99.200 -91.000 TYR 75 0.840 11.379 -13.093 10.360 -99.200 -91.000 TYR 79 0.840 1.385 -9.580 11.169 -99.200 -91.000