============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 7 1.000 17.288 16.652 36.901 -99.200 -91.000 TYR 9 0.840 15.432 3.317 34.346 -99.200 -91.000 PHE 13 1.000 20.448 8.111 32.545 -99.200 -91.000 TYR 26 0.840 11.902 -11.973 15.524 -99.200 -91.000 TYR 32 0.840 6.178 -6.282 19.254 -99.200 -91.000 TRP 37 1.040 12.488 -4.713 28.005 -99.200 -91.000 TRP6 37 1.020 14.745 -4.683 27.301 -99.200 -91.000 TYR 44 0.840 5.029 -7.611 33.333 -99.200 -91.000 TRP 46 1.040 2.863 1.688 36.826 -99.200 -91.000 TRP6 46 1.020 2.052 2.036 34.626 -99.200 -91.000 TYR 54 0.840 10.367 -3.854 45.261 -99.200 -91.000 PHE 57 1.000 12.355 -0.374 36.453 -99.200 -91.000 TRP 58 1.040 18.804 -7.651 37.081 -99.200 -91.000 TRP6 58 1.020 19.464 -6.745 35.000 -99.200 -91.000 TYR 67 0.840 3.630 -9.828 27.770 -99.200 -91.000 PHE 80 1.000 18.678 -13.721 24.237 -99.200 -91.000 TYR 88 0.840 15.184 -0.413 29.723 -99.200 -91.000 TYR 94 0.840 16.238 12.032 26.238 -99.200 -91.000 PHE 133 1.000 22.429 12.885 38.667 -99.200 -91.000 PHE 145 1.000 9.188 -1.494 41.210 -99.200 -91.000 HIS 148 0.900 3.236 3.016 48.132 -99.200 -91.000 TYR 152 0.840 6.637 10.099 43.804 -99.200 -91.000 PHE 168 1.000 9.975 13.461 40.455 -99.200 -91.000 PHE 174 1.000 5.244 6.269 35.546 -99.200 -91.000 PHE 182 1.000 5.719 12.468 49.384 -99.200 -91.000 PHE 184 1.000 8.744 15.353 45.906 -99.200 -91.000 PHE 212 1.000 6.773 3.943 24.522 -99.200 -91.000 TYR 222 0.840 -3.571 9.043 36.808 -99.200 -91.000 PHE 228 1.000 7.225 25.955 37.341 -99.200 -91.000