============================================================================= 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 13.120 -14.807 -8.780 -99.200 -91.000 TYR 11 0.840 31.727 -7.633 -16.131 -99.200 -91.000 TRP 14 1.040 29.381 -18.575 -18.122 -99.200 -91.000 TRP6 14 1.020 31.173 -17.086 -18.573 -99.200 -91.000 TRP 37 1.040 18.189 -18.361 -18.345 -99.200 -91.000 TRP6 37 1.020 19.395 -19.067 -16.430 -99.200 -91.000 TRP 51 1.040 26.388 -17.254 -7.605 -99.200 -91.000 TRP6 51 1.020 24.863 -18.958 -6.946 -99.200 -91.000 TYR 57 0.840 38.155 -19.877 -19.707 -99.200 -91.000 PHE 58 1.000 31.008 -23.382 -16.597 -99.200 -91.000 PHE 80 1.000 22.921 -21.245 -1.434 -99.200 -91.000 PHE 90 1.000 15.382 -16.038 -5.040 -99.200 -91.000 TYR 95 0.840 4.297 -18.984 8.148 -99.200 -91.000 TYR 99 0.840 9.054 -11.859 4.189 -99.200 -91.000 PHE 108 1.000 30.070 -5.524 -5.684 -99.200 -91.000 PHE 114 1.000 15.904 -10.131 -5.827 -99.200 -91.000 PHE 152 1.000 41.640 -10.771 7.757 -99.200 -91.000 TYR 157 0.840 36.724 -9.811 10.721 -99.200 -91.000 TYR 169 0.840 38.844 -5.986 7.224 -99.200 -91.000 PHE 172 1.000 34.742 -1.490 0.880 -99.200 -91.000 PHE 173 1.000 32.316 -5.948 1.606 -99.200 -91.000 PHE 181 1.000 20.430 -8.527 5.492 -99.200 -91.000 TYR 183 0.840 26.998 -6.623 11.289 -99.200 -91.000 TYR 199 0.840 10.557 -10.988 -6.702 -99.200 -91.000 PHE 203 1.000 23.805 -10.885 -12.641 -99.200 -91.000