============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 12 1.000 45.644 12.477 69.070 -99.200 -91.000 HIS 13 0.900 36.899 12.593 68.508 -99.200 -91.000 HIS 25 0.900 26.822 26.926 75.053 -99.200 -91.000 PHE 45 1.000 56.942 0.186 65.813 -99.200 -91.000 PHE 60 1.000 42.605 18.663 69.150 -99.200 -91.000 HIS 67 0.900 37.231 28.642 72.454 -99.200 -91.000 HIS 71 0.900 38.982 23.881 86.364 -99.200 -91.000 PHE 114 1.000 26.583 1.908 80.422 -99.200 -91.000 HIS 125 0.900 13.869 -0.156 78.791 -99.200 -91.000 PHE 138 1.000 32.082 -5.538 72.642 -99.200 -91.000 TRP 148 1.040 31.418 -8.425 81.714 -99.200 -91.000 TRP6 148 1.020 31.527 -7.841 79.427 -99.200 -91.000 PHE 152 1.000 36.666 -8.350 74.793 -99.200 -91.000 PHE 163 1.000 43.017 -11.332 61.711 -99.200 -91.000 HIS 164 0.900 45.530 -9.358 51.619 -99.200 -91.000 HIS 166 0.900 41.882 -11.032 49.907 -99.200 -91.000 HIS 175 0.900 31.348 -12.588 61.241 -99.200 -91.000 TYR 177 0.840 41.029 -11.813 66.129 -99.200 -91.000 PHE 178 1.000 35.296 -9.734 64.563 -99.200 -91.000 TRP 192 1.040 25.732 -9.359 83.991 -99.200 -91.000 TRP6 192 1.020 24.851 -9.070 86.156 -99.200 -91.000 PHE 204 1.000 28.041 1.234 66.649 -99.200 -91.000 HIS 213 0.900 18.479 4.599 51.848 -99.200 -91.000 HIS 214 0.900 15.594 5.655 55.628 -99.200 -91.000 TYR 226 0.840 19.528 8.085 63.118 -99.200 -91.000 PHE 233 1.000 24.422 -3.511 61.145 -99.200 -91.000 HIS 269 0.900 31.026 -12.764 66.028 -99.200 -91.000 TYR 284 0.840 26.439 13.663 75.055 -99.200 -91.000 TYR 292 0.840 27.576 15.372 80.943 -99.200 -91.000