============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 23 1.000 2.943 -2.328 74.832 -99.200 -91.000 TRP 30 1.040 11.974 1.608 80.628 -99.200 -91.000 TRP6 30 1.020 10.878 2.976 79.022 -99.200 -91.000 PHE 55 1.000 3.787 3.548 75.143 -99.200 -91.000 PHE 71 1.000 7.833 5.894 76.477 -99.200 -91.000 PHE 76 1.000 11.148 1.287 73.715 -99.200 -91.000 PHE 85 1.000 -3.349 8.904 78.946 -99.200 -91.000 PHE 110 1.000 1.963 19.207 103.250 -99.200 -91.000 TYR 145 0.840 10.199 7.672 94.572 -99.200 -91.000 HIS 148 0.900 14.694 15.496 98.836 -99.200 -91.000 PHE 149 1.000 6.925 10.358 104.580 -99.200 -91.000 PHE 151 1.000 7.522 12.427 113.653 -99.200 -91.000 HIS 160 0.900 -1.908 21.244 105.985 -99.200 -91.000 TRP 176 1.040 8.877 -3.914 97.221 -99.200 -91.000 TRP6 176 1.020 9.796 -4.998 95.328 -99.200 -91.000 HIS 177 0.900 8.293 1.554 92.322 -99.200 -91.000 TYR 212 0.840 -9.093 9.581 88.080 -99.200 -91.000 PHE 213 1.000 -9.864 1.643 80.355 -99.200 -91.000 PHE 220 1.000 -5.379 8.846 73.317 -99.200 -91.000 PHE 239 1.000 -5.328 0.219 84.913 -99.200 -91.000 HIS 241 0.900 -7.864 -10.273 85.404 -99.200 -91.000 TYR 262 0.840 -1.435 -13.620 94.003 -99.200 -91.000 HIS 268 0.900 -9.854 -17.795 88.913 -99.200 -91.000 HIS 273 0.900 -7.717 -12.406 80.816 -99.200 -91.000 TYR 274 0.840 -3.940 -15.236 76.382 -99.200 -91.000 TYR 275 0.840 3.605 -17.929 81.016 -99.200 -91.000