============================================================================= 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 -4.880 8.930 39.914 -99.200 -91.000 TYR 17 0.840 -0.991 12.158 42.576 -99.200 -91.000 PHE 18 1.000 -4.764 15.228 41.053 -99.200 -91.000 TRP 23 1.040 1.845 13.154 45.911 -99.200 -91.000 TRP6 23 1.020 2.018 10.923 46.650 -99.200 -91.000 TYR 24 0.840 8.372 16.054 50.785 -99.200 -91.000 TYR 28 0.840 16.493 13.465 38.874 -99.200 -91.000 TYR 40 0.840 16.408 20.403 39.767 -99.200 -91.000 TYR 58 0.840 11.505 24.027 46.295 -99.200 -91.000 HIS 59 0.900 10.954 22.004 38.937 -99.200 -91.000 TYR 60 0.840 17.781 24.805 46.398 -99.200 -91.000 PHE 68 1.000 12.325 26.135 38.228 -99.200 -91.000 TYR 69 0.840 8.259 27.651 45.832 -99.200 -91.000 TYR 82 0.840 -5.059 14.390 35.958 -99.200 -91.000 PHE 86 1.000 5.174 25.697 32.562 -99.200 -91.000 TYR 104 0.840 1.595 21.448 26.462 -99.200 -91.000 TYR 105 0.840 3.119 20.140 34.829 -99.200 -91.000 PHE 107 1.000 -0.176 15.251 36.770 -99.200 -91.000 TYR 111 0.840 1.766 1.900 42.942 -99.200 -91.000 HIS 120 0.900 5.567 10.611 30.576 -99.200 -91.000 HIS 124 0.900 5.003 19.434 25.369 -99.200 -91.000 TYR 134 0.840 9.025 7.267 32.520 -99.200 -91.000 PHE 160 1.000 14.297 2.884 42.162 -99.200 -91.000 PHE 163 1.000 13.121 5.797 37.721 -99.200 -91.000 TYR 173 0.840 12.165 19.163 49.272 -99.200 -91.000