============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -4.650 9.266 40.153 -99.200 -91.000 TYR 17 0.840 -0.721 12.480 42.727 -99.200 -91.000 PHE 18 1.000 -4.566 15.534 41.258 -99.200 -91.000 TRP 23 1.040 2.178 13.483 46.159 -99.200 -91.000 TRP6 23 1.020 2.351 11.242 46.886 -99.200 -91.000 TYR 24 0.840 8.721 16.358 50.989 -99.200 -91.000 TYR 28 0.840 16.707 13.446 38.898 -99.200 -91.000 TYR 40 0.840 17.523 22.929 39.161 -99.200 -91.000 TYR 58 0.840 11.866 24.443 46.577 -99.200 -91.000 HIS 59 0.900 11.442 22.372 39.213 -99.200 -91.000 TYR 60 0.840 18.249 25.163 46.794 -99.200 -91.000 PHE 68 1.000 12.796 26.467 38.476 -99.200 -91.000 TYR 69 0.840 8.672 28.086 46.089 -99.200 -91.000 TYR 82 0.840 -4.931 14.673 36.254 -99.200 -91.000 PHE 86 1.000 5.564 26.026 32.774 -99.200 -91.000 TYR 104 0.840 1.910 21.878 26.610 -99.200 -91.000 TYR 105 0.840 3.546 20.443 35.023 -99.200 -91.000 PHE 107 1.000 0.148 15.677 36.993 -99.200 -91.000 TYR 111 0.840 2.017 2.199 43.142 -99.200 -91.000 HIS 120 0.900 5.815 10.874 30.686 -99.200 -91.000 HIS 124 0.900 5.255 19.782 25.538 -99.200 -91.000 TYR 134 0.840 9.268 7.457 32.648 -99.200 -91.000 PHE 160 1.000 14.589 3.081 42.360 -99.200 -91.000 PHE 163 1.000 13.431 5.963 37.871 -99.200 -91.000 TYR 173 0.840 12.394 19.361 49.743 -99.200 -91.000