============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 3 0.840 47.984 115.287 54.232 -99.200 -91.000 PHE 7 1.000 53.416 110.683 57.958 -99.200 -91.000 PHE 31 1.000 55.661 100.792 65.442 -99.200 -91.000 HIS 99 0.900 74.657 78.629 54.992 -99.200 -91.000 TRP 109 1.040 67.932 75.174 54.458 -99.200 -91.000 TRP6 109 1.020 68.515 76.615 52.642 -99.200 -91.000 PHE 121 1.000 51.438 80.712 58.326 -99.200 -91.000 TRP 122 1.040 55.417 78.736 63.473 -99.200 -91.000 TRP6 122 1.020 54.162 77.360 61.969 -99.200 -91.000 PHE 127 1.000 50.751 88.602 68.611 -99.200 -91.000 PHE 155 1.000 80.067 83.123 48.762 -99.200 -91.000 TYR 159 0.840 69.635 87.444 56.239 -99.200 -91.000 HIS 167 0.900 61.717 90.897 50.409 -99.200 -91.000 TRP 177 1.040 44.500 87.497 56.395 -99.200 -91.000 TRP6 177 1.020 46.347 87.447 57.904 -99.200 -91.000 TYR 191 0.840 75.397 95.017 54.041 -99.200 -91.000 PHE 207 1.000 81.385 98.711 57.435 -99.200 -91.000 TRP 210 1.040 79.156 94.106 53.791 -99.200 -91.000 TRP6 210 1.020 78.268 93.910 56.030 -99.200 -91.000 PHE 231 1.000 54.520 105.428 54.368 -99.200 -91.000 TYR 239 0.840 44.906 102.394 46.984 -99.200 -91.000 TYR 251 0.840 74.185 96.301 48.341 -99.200 -91.000 TRP 254 1.040 75.308 101.919 41.705 -99.200 -91.000 TRP6 254 1.020 76.750 102.483 43.525 -99.200 -91.000