============================================================================= 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 3 1.000 14.688 12.949 28.857 -99.200 -91.000 TYR 11 0.840 7.728 31.643 21.369 -99.200 -91.000 TRP 14 1.040 18.650 29.224 19.366 -99.200 -91.000 TRP6 14 1.020 17.133 30.979 18.886 -99.200 -91.000 TRP 37 1.040 18.312 17.952 19.303 -99.200 -91.000 TRP6 37 1.020 19.053 19.154 21.199 -99.200 -91.000 TRP 51 1.040 17.364 26.220 29.959 -99.200 -91.000 TRP6 51 1.020 19.052 24.705 30.644 -99.200 -91.000 TYR 57 0.840 19.856 37.984 17.932 -99.200 -91.000 PHE 58 1.000 23.445 30.806 20.902 -99.200 -91.000 PHE 80 1.000 21.310 22.701 36.231 -99.200 -91.000 PHE 90 1.000 16.012 15.168 32.628 -99.200 -91.000 TYR 95 0.840 18.696 4.145 45.794 -99.200 -91.000 TYR 99 0.840 11.739 8.866 41.925 -99.200 -91.000 PHE 108 1.000 5.564 30.001 31.949 -99.200 -91.000 PHE 114 1.000 9.975 15.785 31.805 -99.200 -91.000 PHE 152 1.000 11.042 41.433 45.466 -99.200 -91.000 TYR 157 0.840 10.080 36.612 48.474 -99.200 -91.000 TYR 169 0.840 6.200 38.753 44.897 -99.200 -91.000 PHE 172 1.000 1.637 34.758 38.536 -99.200 -91.000 PHE 173 1.000 6.036 32.176 39.267 -99.200 -91.000 PHE 181 1.000 8.480 20.279 43.164 -99.200 -91.000 TYR 183 0.840 6.660 26.866 49.018 -99.200 -91.000 TYR 199 0.840 10.844 10.359 30.977 -99.200 -91.000 PHE 203 1.000 10.853 23.640 24.959 -99.200 -91.000