============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 12 1.000 -10.234 48.416 93.697 -99.200 -91.000 PHE 16 1.000 -5.297 58.415 94.159 -99.200 -91.000 HIS 30 0.900 -27.112 79.827 82.967 -99.200 -91.000 TRP 32 1.040 -23.527 89.044 80.620 -99.200 -91.000 TRP6 32 1.020 -21.684 89.210 79.157 -99.200 -91.000 PHE 43 1.000 -3.609 75.232 81.229 -99.200 -91.000 TYR 60 0.840 -29.215 76.363 84.130 -99.200 -91.000 HIS 79 0.900 -2.426 71.422 92.506 -99.200 -91.000 PHE 106 1.000 -21.448 86.931 96.531 -99.200 -91.000 TYR 122 0.840 -6.718 91.185 104.158 -99.200 -91.000 PHE 126 1.000 -4.099 94.244 100.757 -99.200 -91.000 PHE 127 1.000 -7.380 95.327 90.086 -99.200 -91.000 TYR 131 0.840 -9.337 105.487 95.481 -99.200 -91.000 TRP 143 1.040 -12.389 92.512 101.803 -99.200 -91.000 TRP6 143 1.020 -11.447 94.468 102.715 -99.200 -91.000 PHE 152 1.000 -14.548 90.387 92.038 -99.200 -91.000 PHE 158 1.000 -14.122 82.813 97.913 -99.200 -91.000 PHE 169 1.000 -19.041 56.168 84.775 -99.200 -91.000 TYR 170 0.840 -11.211 53.346 82.254 -99.200 -91.000 TYR 197 0.840 -14.529 69.371 90.225 -99.200 -91.000 PHE 200 1.000 -9.641 64.569 82.620 -99.200 -91.000 TYR 216 0.840 8.665 57.050 75.058 -99.200 -91.000 PHE 218 1.000 10.548 61.682 77.905 -99.200 -91.000 TYR 227 0.840 -9.543 49.306 80.097 -99.200 -91.000 TYR 244 0.840 -15.543 58.606 74.368 -99.200 -91.000 PHE 281 1.000 -3.892 54.646 89.905 -99.200 -91.000 TYR 288 0.840 -11.592 58.897 100.182 -99.200 -91.000 HIS 291 0.900 -14.586 47.327 96.107 -99.200 -91.000 HIS 293 0.900 -20.667 43.974 90.438 -99.200 -91.000 PHE 296 1.000 -24.578 50.840 89.661 -99.200 -91.000