============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 5 0.900 49.269 52.419 -4.980 -99.200 -91.000 PHE 6 1.000 40.518 50.575 -3.386 -99.200 -91.000 PHE 11 1.000 39.415 47.936 11.823 -99.200 -91.000 PHE 13 1.000 34.643 47.594 16.997 -99.200 -91.000 PHE 47 1.000 37.440 55.740 10.618 -99.200 -91.000 PHE 52 1.000 19.758 50.833 9.766 -99.200 -91.000 PHE 65 1.000 36.698 53.383 -2.767 -99.200 -91.000 HIS 67 0.900 31.964 47.986 -11.744 -99.200 -91.000 TRP 70 1.040 41.034 53.285 -7.859 -99.200 -91.000 TRP6 70 1.020 41.926 54.938 -6.419 -99.200 -91.000 HIS 83 0.900 37.801 73.287 -3.793 -99.200 -91.000 TYR 90 0.840 29.245 55.544 -4.904 -99.200 -91.000 PHE 94 1.000 32.052 51.871 -1.075 -99.200 -91.000 HIS 95 0.900 27.875 61.488 -0.552 -99.200 -91.000 TRP 103 1.040 36.536 67.958 2.130 -99.200 -91.000 TRP6 103 1.020 37.042 70.239 1.707 -99.200 -91.000 HIS 115 0.900 40.987 73.837 13.217 -99.200 -91.000 TYR 128 0.840 24.519 66.803 21.819 -99.200 -91.000 PHE 134 1.000 13.404 53.317 23.580 -99.200 -91.000 HIS 135 0.900 16.644 49.161 22.766 -99.200 -91.000 PHE 141 1.000 19.180 57.634 31.685 -99.200 -91.000 PHE 145 1.000 22.804 60.411 29.776 -99.200 -91.000 HIS 147 0.900 32.933 58.654 32.785 -99.200 -91.000 TYR 153 0.840 30.803 65.258 27.880 -99.200 -91.000 PHE 156 1.000 24.711 65.946 31.350 -99.200 -91.000 HIS 162 0.900 10.808 53.295 26.708 -99.200 -91.000 PHE 165 1.000 4.982 61.606 27.984 -99.200 -91.000 TRP 193 1.040 6.618 60.843 20.922 -99.200 -91.000 TRP6 193 1.020 7.754 62.567 22.088 -99.200 -91.000 HIS 210 0.900 11.676 66.514 33.907 -99.200 -91.000 TRP 214 1.040 18.468 69.387 20.225 -99.200 -91.000 TRP6 214 1.020 20.609 70.360 20.108 -99.200 -91.000 HIS 222 0.900 10.422 61.777 4.008 -99.200 -91.000 HIS 224 0.900 8.850 68.665 4.438 -99.200 -91.000 HIS 232 0.900 4.486 78.008 12.165 -99.200 -91.000 TRP 236 1.040 7.955 74.348 25.721 -99.200 -91.000 TRP6 236 1.020 5.757 74.506 24.790 -99.200 -91.000 TYR 244 0.840 16.751 58.230 10.695 -99.200 -91.000 HIS 257 0.900 10.246 78.806 5.135 -99.200 -91.000 HIS 265 0.900 24.803 62.120 11.850 -99.200 -91.000 TRP 276 1.040 26.762 80.085 1.131 -99.200 -91.000 TRP6 276 1.020 25.300 79.604 -0.664 -99.200 -91.000 PHE 291 1.000 33.892 54.697 13.521 -99.200 -91.000 HIS 297 0.900 39.392 68.809 12.144 -99.200 -91.000 TRP 307 1.040 24.843 73.059 21.927 -99.200 -91.000 TRP6 307 1.020 25.807 72.520 24.065 -99.200 -91.000 TYR 310 0.840 32.544 61.009 23.030 -99.200 -91.000 PHE 312 1.000 30.376 59.893 27.156 -99.200 -91.000 PHE 315 1.000 32.637 53.653 17.392 -99.200 -91.000 HIS 317 0.900 39.137 49.577 19.431 -99.200 -91.000 TYR 329 0.840 33.902 74.817 25.766 -99.200 -91.000 TYR 331 0.840 39.605 72.123 23.619 -99.200 -91.000 HIS 338 0.900 40.586 62.707 9.427 -99.200 -91.000 TRP 350 1.040 41.064 45.228 18.402 -99.200 -91.000 TRP6 350 1.020 39.424 43.872 19.437 -99.200 -91.000