============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 9 1.000 136.733 22.804 21.940 -99.200 -91.000 HIS 30 0.900 151.297 -0.531 1.493 -99.200 -91.000 TYR 36 0.840 146.321 2.323 2.336 -99.200 -91.000 TYR 38 0.840 139.397 5.960 8.661 -99.200 -91.000 TRP 39 1.040 140.723 13.845 6.836 -99.200 -91.000 TRP6 39 1.020 141.324 15.185 8.736 -99.200 -91.000 TYR 40 0.840 135.599 8.846 12.247 -99.200 -91.000 TYR 53 0.840 138.082 6.250 -0.509 -99.200 -91.000 PHE 66 1.000 133.018 18.602 3.617 -99.200 -91.000 PHE 75 1.000 148.273 12.710 7.922 -99.200 -91.000 TYR 90 0.840 134.124 18.207 9.948 -99.200 -91.000 TYR 91 0.840 135.847 12.020 16.143 -99.200 -91.000 PHE 102 1.000 139.246 4.275 15.488 -99.200 -91.000 PHE 122 1.000 106.400 25.360 27.359 -99.200 -91.000 PHE 139 1.000 111.403 23.423 25.740 -99.200 -91.000 PHE 143 1.000 121.447 29.998 24.024 -99.200 -91.000 TYR 144 0.840 127.223 32.656 17.739 -99.200 -91.000 TRP 152 1.040 114.448 27.368 36.886 -99.200 -91.000 TRP6 152 1.020 112.249 27.223 36.034 -99.200 -91.000 TRP 167 1.040 123.622 24.201 28.574 -99.200 -91.000 TRP6 167 1.020 123.946 22.858 30.484 -99.200 -91.000 TYR 177 0.840 126.122 27.157 20.225 -99.200 -91.000 TYR 190 0.840 103.120 23.706 40.478 -99.200 -91.000 HIS 193 0.900 106.605 28.258 47.660 -99.200 -91.000 TYR 196 0.840 106.147 27.698 40.931 -99.200 -91.000 HIS 202 0.900 122.966 35.284 24.543 -99.200 -91.000 PHE 213 1.000 103.915 28.636 35.888 -99.200 -91.000