============================================================================= 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 1.000 132.162 -27.472 74.682 -99.200 -91.000 HIS 28 0.900 129.304 -27.351 65.643 -99.200 -91.000 PHE 35 1.000 128.132 -18.809 53.987 -99.200 -91.000 TYR 40 0.840 130.972 -12.492 37.095 -99.200 -91.000 TYR 58 0.840 117.258 -9.310 52.157 -99.200 -91.000 TYR 66 0.840 119.679 -4.909 41.488 -99.200 -91.000 TYR 92 0.840 119.585 3.551 68.524 -99.200 -91.000 TYR 95 0.840 120.147 -8.546 60.919 -99.200 -91.000 HIS 109 0.900 134.662 -1.954 43.119 -99.200 -91.000 PHE 111 1.000 132.310 -1.442 48.478 -99.200 -91.000 TYR 124 0.840 145.648 -4.526 53.202 -99.200 -91.000 PHE 133 1.000 146.746 -12.162 66.616 -99.200 -91.000 TYR 135 0.840 143.251 -5.024 58.967 -99.200 -91.000 TYR 142 0.840 147.754 -5.706 48.835 -99.200 -91.000 TYR 184 0.840 132.692 -17.572 45.429 -99.200 -91.000