============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 11 1.000 64.295 66.166 66.784 -99.200 -91.000 HIS 18 0.900 74.989 57.903 66.366 -99.200 -91.000 TRP 19 1.040 71.892 50.821 64.971 -99.200 -91.000 TRP6 19 1.020 71.649 49.094 63.368 -99.200 -91.000 TYR 46 0.840 83.566 61.633 57.495 -99.200 -91.000 PHE 54 1.000 81.077 56.120 61.941 -99.200 -91.000 TYR 64 0.840 65.734 64.888 45.985 -99.200 -91.000 TYR 118 0.840 48.150 52.471 46.237 -99.200 -91.000 PHE 126 1.000 62.440 52.256 42.092 -99.200 -91.000 TYR 143 0.840 53.018 42.328 72.411 -99.200 -91.000 PHE 146 1.000 54.934 49.294 76.048 -99.200 -91.000 HIS 166 0.900 52.850 53.310 63.309 -99.200 -91.000 PHE 176 1.000 49.463 34.154 64.831 -99.200 -91.000 PHE 187 1.000 57.178 33.467 79.968 -99.200 -91.000 TYR 217 0.840 64.463 61.941 68.918 -99.200 -91.000 TYR 218 0.840 67.017 58.877 71.075 -99.200 -91.000 TYR 244 0.840 50.045 46.295 45.157 -99.200 -91.000 TYR 249 0.840 47.293 38.147 56.134 -99.200 -91.000 TYR 255 0.840 52.719 49.330 49.199 -99.200 -91.000 PHE 256 1.000 46.157 45.784 56.754 -99.200 -91.000