============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 25 1.000 2.894 -2.489 74.847 -99.200 -91.000 TRP 32 1.040 12.280 1.562 80.944 -99.200 -91.000 TRP6 32 1.020 11.007 3.018 79.579 -99.200 -91.000 PHE 57 1.000 3.643 3.216 75.122 -99.200 -91.000 PHE 73 1.000 7.555 5.769 77.467 -99.200 -91.000 PHE 78 1.000 11.144 1.437 74.043 -99.200 -91.000 PHE 87 1.000 -3.238 8.773 78.792 -99.200 -91.000 PHE 112 1.000 1.960 19.034 103.183 -99.200 -91.000 TYR 148 0.840 10.085 7.507 94.637 -99.200 -91.000 HIS 151 0.900 14.677 15.387 98.948 -99.200 -91.000 PHE 152 1.000 6.867 10.281 104.555 -99.200 -91.000 PHE 154 1.000 7.304 12.320 113.623 -99.200 -91.000 HIS 163 0.900 -1.996 21.215 105.868 -99.200 -91.000 TRP 179 1.040 8.299 -4.234 97.682 -99.200 -91.000 TRP6 179 1.020 9.044 -5.532 95.846 -99.200 -91.000 HIS 180 0.900 8.305 1.041 92.564 -99.200 -91.000 TYR 215 0.840 -9.084 9.406 87.880 -99.200 -91.000 PHE 216 1.000 -10.004 1.453 79.960 -99.200 -91.000 PHE 223 1.000 -5.299 8.564 73.026 -99.200 -91.000 PHE 242 1.000 -5.485 -0.003 84.632 -99.200 -91.000 HIS 244 0.900 -8.078 -10.380 85.228 -99.200 -91.000 TYR 265 0.840 -1.562 -13.729 93.844 -99.200 -91.000 HIS 271 0.900 -10.084 -18.014 89.196 -99.200 -91.000 HIS 276 0.900 -7.792 -12.592 80.772 -99.200 -91.000 TYR 277 0.840 -3.960 -15.332 76.234 -99.200 -91.000 TYR 278 0.840 3.713 -17.862 80.919 -99.200 -91.000