============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 2 1.000 68.615 51.422 61.630 -99.200 -91.000 TRP 19 1.040 70.842 33.111 50.050 -99.200 -91.000 TRP6 19 1.020 69.939 34.694 48.528 -99.200 -91.000 PHE 25 1.000 78.853 26.125 41.707 -99.200 -91.000 TYR 31 0.840 87.682 29.245 51.529 -99.200 -91.000 HIS 69 0.900 77.000 52.830 41.497 -99.200 -91.000 PHE 73 1.000 79.793 54.819 50.253 -99.200 -91.000 TYR 75 0.840 88.804 58.194 46.461 -99.200 -91.000 HIS 81 0.900 93.317 50.862 58.811 -99.200 -91.000 HIS 83 0.900 97.846 50.423 62.342 -99.200 -91.000 TYR 84 0.840 95.575 49.444 56.012 -99.200 -91.000 HIS 103 0.900 105.474 46.834 48.024 -99.200 -91.000 PHE 105 1.000 100.178 50.624 55.745 -99.200 -91.000 TRP 106 1.040 98.033 43.259 54.862 -99.200 -91.000 TRP6 106 1.020 97.505 41.506 56.365 -99.200 -91.000 HIS 107 0.900 105.626 44.719 55.366 -99.200 -91.000 HIS 110 0.900 106.373 47.297 44.332 -99.200 -91.000 TRP 114 1.040 99.615 39.217 38.585 -99.200 -91.000 TRP6 114 1.020 98.571 37.091 38.296 -99.200 -91.000 PHE 128 1.000 87.286 45.948 32.348 -99.200 -91.000 HIS 141 0.900 95.031 24.522 36.637 -99.200 -91.000 PHE 159 1.000 84.840 36.905 39.160 -99.200 -91.000 TRP 172 1.040 85.026 31.589 38.658 -99.200 -91.000 TRP6 172 1.020 86.886 33.008 38.203 -99.200 -91.000 TYR 175 0.840 88.226 33.680 53.627 -99.200 -91.000 PHE 178 1.000 82.674 41.126 57.690 -99.200 -91.000 PHE 191 1.000 77.247 45.707 61.059 -99.200 -91.000 TRP 199 1.040 79.200 47.602 54.684 -99.200 -91.000 TRP6 199 1.020 79.162 45.563 55.834 -99.200 -91.000 TYR 204 0.840 74.586 44.411 56.711 -99.200 -91.000 TYR 222 0.840 71.976 44.087 38.134 -99.200 -91.000 PHE 229 1.000 73.992 43.604 33.243 -99.200 -91.000 HIS 232 0.900 66.915 30.799 38.593 -99.200 -91.000 PHE 235 1.000 66.075 35.682 45.782 -99.200 -91.000 HIS 241 0.900 58.995 34.250 57.450 -99.200 -91.000 TRP 243 1.040 62.711 41.079 49.785 -99.200 -91.000 TRP6 243 1.020 63.208 40.302 47.618 -99.200 -91.000 HIS 248 0.900 54.622 42.926 54.356 -99.200 -91.000