============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 25 1.000 101.728 16.373 107.402 -99.200 -91.000 HIS 28 0.900 92.893 14.359 104.758 -99.200 -91.000 PHE 35 1.000 84.180 3.478 101.048 -99.200 -91.000 TYR 40 0.840 70.341 -8.355 101.954 -99.200 -91.000 TYR 58 0.840 84.176 -2.497 87.952 -99.200 -91.000 TYR 66 0.840 75.510 -10.397 88.838 -99.200 -91.000 TYR 92 0.840 103.913 -9.608 85.951 -99.200 -91.000 TYR 95 0.840 92.943 -1.505 90.129 -99.200 -91.000 HIS 109 0.900 79.541 -16.768 101.918 -99.200 -91.000 PHE 111 1.000 84.686 -15.103 99.489 -99.200 -91.000 TYR 124 0.840 89.546 -14.805 113.188 -99.200 -91.000 PHE 133 1.000 100.180 -4.100 116.407 -99.200 -91.000 TYR 135 0.840 94.610 -11.870 111.044 -99.200 -91.000 TYR 142 0.840 85.295 -15.644 115.611 -99.200 -91.000 TYR 184 0.840 76.958 -1.773 105.031 -99.200 -91.000