============================================================================= 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 18 1.000 52.659 45.106 8.384 -99.200 -91.000 PHE 21 1.000 58.037 54.423 6.227 -99.200 -91.000 TYR 29 0.840 73.268 51.043 25.110 -99.200 -91.000 PHE 71 1.000 82.825 36.094 4.621 -99.200 -91.000 TYR 103 0.840 79.884 47.457 14.197 -99.200 -91.000 PHE 109 1.000 86.499 35.593 13.871 -99.200 -91.000 TYR 121 0.840 76.605 37.012 6.317 -99.200 -91.000 TYR 124 0.840 70.612 34.217 6.157 -99.200 -91.000 HIS 134 0.900 59.432 39.208 8.412 -99.200 -91.000 PHE 143 1.000 72.329 50.663 5.998 -99.200 -91.000 PHE 146 1.000 62.154 56.508 7.649 -99.200 -91.000 TYR 152 0.840 62.505 41.551 3.073 -99.200 -91.000 HIS 159 0.900 71.145 55.842 6.926 -99.200 -91.000 PHE 164 1.000 64.394 65.938 11.446 -99.200 -91.000 TYR 207 0.840 57.016 67.063 0.974 -99.200 -91.000 TYR 210 0.840 64.801 62.685 1.518 -99.200 -91.000 PHE 217 1.000 58.319 60.458 10.508 -99.200 -91.000 TYR 220 0.840 50.624 62.921 5.472 -99.200 -91.000 TYR 238 0.840 48.086 52.404 20.841 -99.200 -91.000 PHE 239 1.000 43.070 51.640 20.205 -99.200 -91.000 TYR 250 0.840 56.393 67.834 16.692 -99.200 -91.000 PHE 264 1.000 58.410 59.791 16.536 -99.200 -91.000 PHE 269 1.000 52.128 71.099 25.185 -99.200 -91.000 TYR 280 0.840 47.272 55.610 31.422 -99.200 -91.000 TYR 281 0.840 51.709 50.451 29.819 -99.200 -91.000