============================================================================= 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 37 0.840 -11.076 9.360 68.605 -99.200 -91.000 TYR 42 0.840 -7.100 -7.226 51.535 -99.200 -91.000 TYR 44 0.840 -2.662 -8.785 45.385 -99.200 -91.000 PHE 50 1.000 5.784 -16.619 58.166 -99.200 -91.000 TYR 57 0.840 2.914 -13.573 56.187 -99.200 -91.000 PHE 59 1.000 3.671 -7.060 59.572 -99.200 -91.000 HIS 87 0.900 -14.654 -11.740 56.806 -99.200 -91.000 TYR 96 0.840 5.660 -13.593 61.785 -99.200 -91.000 PHE 99 1.000 -0.829 -6.818 68.854 -99.200 -91.000 PHE 107 1.000 -1.052 8.985 64.717 -99.200 -91.000 PHE 109 1.000 -8.312 13.832 63.101 -99.200 -91.000 PHE 114 1.000 -4.888 12.125 67.811 -99.200 -91.000