============================================================================= 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. PHE 5 1.000 32.060 -8.952 5.156 -99.200 -91.000 PHE 7 1.000 34.502 -15.111 0.564 -99.200 -91.000 TYR 22 0.840 32.775 -4.219 4.022 -99.200 -91.000 HIS 38 0.900 21.530 -12.721 19.505 -99.200 -91.000 PHE 44 1.000 23.817 -15.671 0.207 -99.200 -91.000 PHE 55 1.000 35.546 -25.746 -0.171 -99.200 -91.000 HIS 58 0.900 27.886 -24.883 -6.650 -99.200 -91.000 TYR 59 0.840 22.914 -26.118 -0.067 -99.200 -91.000 TYR 67 0.840 34.194 -22.173 10.964 -99.200 -91.000 TYR 76 0.840 39.372 -7.928 12.882 -99.200 -91.000 PHE 85 1.000 28.603 -21.862 10.192 -99.200 -91.000 TYR 88 0.840 20.565 -18.602 3.183 -99.200 -91.000 PHE 112 1.000 20.135 -11.180 5.274 -99.200 -91.000 PHE 113 1.000 23.107 -5.583 10.751 -99.200 -91.000 HIS 124 0.900 18.978 4.235 8.971 -99.200 -91.000 PHE 131 1.000 30.168 0.536 7.100 -99.200 -91.000 HIS 134 0.900 32.573 14.932 8.673 -99.200 -91.000