============================================================================= 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 36.816 94.891 53.729 -99.200 -91.000 PHE 16 1.000 38.464 87.410 62.243 -99.200 -91.000 HIS 30 0.900 10.527 70.677 63.914 -99.200 -91.000 TRP 32 1.040 9.227 65.278 72.524 -99.200 -91.000 TRP6 32 1.020 9.603 66.258 74.648 -99.200 -91.000 PHE 43 1.000 27.123 80.987 78.430 -99.200 -91.000 TYR 60 0.840 10.913 68.302 57.298 -99.200 -91.000 HIS 79 0.900 36.475 78.346 71.037 -99.200 -91.000 PHE 106 1.000 22.147 58.998 64.249 -99.200 -91.000 TYR 122 0.840 36.735 55.278 72.717 -99.200 -91.000 PHE 126 1.000 35.523 55.351 77.757 -99.200 -91.000 PHE 127 1.000 25.700 59.072 81.671 -99.200 -91.000 TYR 131 0.840 26.144 47.393 83.204 -99.200 -91.000 TRP 143 1.040 30.799 54.077 70.742 -99.200 -91.000 TRP6 143 1.020 31.698 52.208 71.878 -99.200 -91.000 PHE 152 1.000 23.144 60.277 73.317 -99.200 -91.000 PHE 158 1.000 29.181 63.402 66.363 -99.200 -91.000 PHE 169 1.000 22.785 90.993 56.068 -99.200 -91.000 TYR 170 0.840 27.297 96.698 61.210 -99.200 -91.000 TYR 197 0.840 26.904 78.417 63.183 -99.200 -91.000 PHE 200 1.000 26.123 87.567 67.888 -99.200 -91.000 TYR 216 0.840 35.585 102.291 80.552 -99.200 -91.000 PHE 218 1.000 37.700 97.695 82.871 -99.200 -91.000 TYR 227 0.840 28.081 101.536 61.309 -99.200 -91.000 TYR 244 0.840 17.680 95.361 65.248 -99.200 -91.000 PHE 281 1.000 37.116 92.934 62.764 -99.200 -91.000 TYR 288 0.840 37.968 82.690 54.682 -99.200 -91.000 HIS 291 0.900 35.814 93.520 49.003 -99.200 -91.000 HIS 293 0.900 28.870 98.093 45.638 -99.200 -91.000 PHE 296 1.000 23.663 91.890 47.023 -99.200 -91.000