============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 3 0.840 -8.470 43.885 2.558 -99.200 -91.000 TYR 9 0.840 3.957 53.398 3.962 -99.200 -91.000 PHE 10 1.000 2.351 47.865 -0.379 -99.200 -91.000 PHE 19 1.000 2.765 35.602 -7.345 -99.200 -91.000 PHE 20 1.000 6.159 43.316 -0.182 -99.200 -91.000 PHE 30 1.000 14.859 29.277 6.617 -99.200 -91.000 HIS 31 0.900 15.892 34.048 7.983 -99.200 -91.000 TYR 33 0.840 7.375 30.634 14.330 -99.200 -91.000 PHE 49 1.000 2.551 30.148 18.910 -99.200 -91.000 PHE 59 1.000 -3.456 42.391 3.589 -99.200 -91.000 TYR 71 0.840 22.939 16.056 24.878 -99.200 -91.000 TYR 73 0.840 16.782 19.600 22.713 -99.200 -91.000 HIS 82 0.900 6.018 21.638 3.053 -99.200 -91.000 TYR 89 0.840 -3.945 43.793 -1.026 -99.200 -91.000 TYR 100 0.840 16.974 20.669 2.731 -99.200 -91.000 TYR 106 0.840 18.253 27.821 -1.158 -99.200 -91.000 TYR 110 0.840 6.815 25.725 -4.390 -99.200 -91.000