============================================================================= 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 99.813 -11.452 109.238 -99.200 -91.000 HIS 28 0.900 93.270 -15.782 104.269 -99.200 -91.000 PHE 35 1.000 91.047 -25.291 93.671 -99.200 -91.000 TYR 40 0.840 86.016 -40.480 84.836 -99.200 -91.000 TYR 58 0.840 91.856 -21.776 79.697 -99.200 -91.000 TYR 66 0.840 88.966 -31.577 74.295 -99.200 -91.000 TYR 92 0.840 111.278 -14.350 77.783 -99.200 -91.000 TYR 95 0.840 98.943 -17.568 83.700 -99.200 -91.000 HIS 109 0.900 98.237 -40.947 81.828 -99.200 -91.000 PHE 111 1.000 101.112 -35.872 81.920 -99.200 -91.000 TYR 124 0.840 107.512 -40.759 93.796 -99.200 -91.000 PHE 133 1.000 111.155 -30.264 104.620 -99.200 -91.000 TYR 135 0.840 109.756 -34.962 94.761 -99.200 -91.000 TYR 142 0.840 104.898 -44.974 94.445 -99.200 -91.000 TYR 184 0.840 88.713 -34.623 92.512 -99.200 -91.000