============================================================================= 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 40.088 20.893 72.757 -99.200 -91.000 PHE 21 1.000 44.578 29.833 77.374 -99.200 -91.000 TYR 29 0.840 41.403 42.823 56.494 -99.200 -91.000 PHE 71 1.000 17.927 43.125 69.762 -99.200 -91.000 TYR 103 0.840 31.688 46.229 65.433 -99.200 -91.000 PHE 109 1.000 19.101 47.186 61.050 -99.200 -91.000 TYR 121 0.840 21.738 38.185 69.330 -99.200 -91.000 TYR 124 0.840 22.001 31.412 69.383 -99.200 -91.000 HIS 134 0.900 32.621 26.286 67.033 -99.200 -91.000 PHE 143 1.000 34.799 40.536 74.782 -99.200 -91.000 PHE 146 1.000 44.837 34.470 76.133 -99.200 -91.000 TYR 152 0.840 31.029 27.360 75.356 -99.200 -91.000 HIS 159 0.900 39.804 42.075 75.726 -99.200 -91.000 PHE 164 1.000 52.743 41.342 75.602 -99.200 -91.000 TYR 207 0.840 53.525 34.751 86.546 -99.200 -91.000 TYR 210 0.840 46.475 39.551 83.729 -99.200 -91.000 PHE 217 1.000 50.687 33.285 75.352 -99.200 -91.000 TYR 220 0.840 54.817 27.323 81.837 -99.200 -91.000 TYR 238 0.840 52.811 21.165 64.369 -99.200 -91.000 PHE 239 1.000 54.257 16.340 65.401 -99.200 -91.000 TYR 250 0.840 59.743 35.530 72.178 -99.200 -91.000 PHE 264 1.000 52.175 33.423 69.333 -99.200 -91.000 PHE 269 1.000 67.295 33.954 65.974 -99.200 -91.000 TYR 280 0.840 59.498 22.596 55.845 -99.200 -91.000 TYR 281 0.840 52.733 23.856 55.020 -99.200 -91.000