============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 8 0.900 -48.396 6.540 -20.502 -99.200 -91.000 TYR 9 0.840 -52.178 -1.907 -16.550 -99.200 -91.000 TRP 15 1.040 -54.785 -2.308 -29.696 -99.200 -91.000 TRP6 15 1.020 -54.771 -4.572 -30.372 -99.200 -91.000 TYR 19 0.840 -57.705 -9.070 -31.422 -99.200 -91.000 PHE 27 1.000 -67.060 -17.766 -32.365 -99.200 -91.000 TYR 34 0.840 -72.324 -21.645 -25.024 -99.200 -91.000 PHE 35 1.000 -64.415 -15.651 -28.548 -99.200 -91.000 TYR 49 0.840 -59.711 -10.488 -16.480 -99.200 -91.000 TYR 55 0.840 -64.943 -2.100 -23.822 -99.200 -91.000 TYR 56 0.840 -72.892 -7.245 -18.387 -99.200 -91.000 PHE 63 1.000 -67.520 -10.833 -21.458 -99.200 -91.000 TYR 65 0.840 -75.964 -17.525 -25.835 -99.200 -91.000 PHE 69 1.000 -62.572 -24.364 -21.252 -99.200 -91.000 TYR 74 0.840 -51.088 -19.481 -6.218 -99.200 -91.000 HIS 81 0.900 -56.174 -17.734 0.759 -99.200 -91.000 TYR 85 0.840 -53.824 -17.586 -9.628 -99.200 -91.000 HIS 86 0.900 -61.364 -22.311 -8.478 -99.200 -91.000 PHE 88 1.000 -57.264 -11.732 -10.634 -99.200 -91.000 TRP 90 1.040 -67.649 -14.586 -7.237 -99.200 -91.000 TRP6 90 1.020 -69.414 -15.096 -8.728 -99.200 -91.000 PHE 93 1.000 -64.196 -10.906 -17.222 -99.200 -91.000 PHE 94 1.000 -65.091 -16.052 -14.427 -99.200 -91.000 HIS 96 0.900 -67.707 -6.966 -10.460 -99.200 -91.000 HIS 100 0.900 -74.965 -21.091 -16.496 -99.200 -91.000 HIS 105 0.900 -65.844 -25.111 -17.874 -99.200 -91.000 PHE 121 1.000 -58.982 -26.345 -17.114 -99.200 -91.000 PHE 134 1.000 -55.354 -20.269 -22.702 -99.200 -91.000 HIS 143 0.900 -44.605 -17.774 -15.092 -99.200 -91.000 PHE 146 1.000 -48.594 -20.435 -11.573 -99.200 -91.000 PHE 173 1.000 -50.722 -10.556 -6.208 -99.200 -91.000 PHE 174 1.000 -50.588 -16.207 -1.506 -99.200 -91.000 HIS 207 0.900 -43.258 -5.485 -13.935 -99.200 -91.000 PHE 210 1.000 -32.937 -10.562 -19.673 -99.200 -91.000 TYR 213 0.840 -33.051 -9.981 -25.369 -99.200 -91.000 HIS 222 0.900 -35.830 -26.677 -21.597 -99.200 -91.000 TRP 224 1.040 -35.446 -17.418 -21.191 -99.200 -91.000 TRP6 224 1.020 -35.509 -15.734 -19.533 -99.200 -91.000 PHE 229 1.000 -47.554 -19.148 -26.762 -99.200 -91.000 HIS 232 0.900 -50.702 -19.973 -32.008 -99.200 -91.000 PHE 237 1.000 -45.704 -12.247 -28.121 -99.200 -91.000 TYR 254 0.840 -41.783 -5.272 -39.478 -99.200 -91.000 PHE 255 1.000 -43.561 -6.539 -34.980 -99.200 -91.000 HIS 262 0.900 -50.221 -5.321 -36.619 -99.200 -91.000 TYR 270 0.840 -67.307 -4.405 -36.037 -99.200 -91.000