============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 4 0.840 -16.169 -4.847 17.666 -99.200 -91.000 PHE 30 1.000 -23.618 -9.733 34.728 -99.200 -91.000 HIS 32 0.900 -15.615 -4.372 28.352 -99.200 -91.000 PHE 36 1.000 -17.112 3.135 21.524 -99.200 -91.000 PHE 42 1.000 -21.611 7.306 13.449 -99.200 -91.000 HIS 51 0.900 -22.770 -3.051 3.586 -99.200 -91.000 HIS 57 0.900 -34.241 3.473 5.399 -99.200 -91.000 TRP 61 1.040 -40.025 0.482 12.270 -99.200 -91.000 TRP6 61 1.020 -39.161 -1.310 13.551 -99.200 -91.000 PHE 62 1.000 -35.499 0.678 17.139 -99.200 -91.000 TYR 71 0.840 -39.492 3.729 7.487 -99.200 -91.000 HIS 73 0.900 -41.033 -6.397 4.972 -99.200 -91.000 TRP 80 1.040 -36.152 -5.034 13.732 -99.200 -91.000 TRP6 80 1.020 -36.415 -5.864 15.934 -99.200 -91.000 TRP 83 1.040 -36.856 -12.084 16.586 -99.200 -91.000 TRP6 83 1.020 -34.751 -11.206 15.979 -99.200 -91.000 TYR 94 0.840 -35.502 -2.495 21.062 -99.200 -91.000 TRP 98 1.040 -36.993 3.738 22.495 -99.200 -91.000 TRP6 98 1.020 -35.437 4.444 20.854 -99.200 -91.000 TRP 101 1.040 -44.304 2.953 30.323 -99.200 -91.000 TRP6 101 1.020 -42.289 1.786 30.767 -99.200 -91.000 HIS 108 0.900 -51.317 4.705 24.994 -99.200 -91.000 TRP 133 1.040 -37.069 -4.926 31.832 -99.200 -91.000 TRP6 133 1.020 -36.177 -6.576 30.388 -99.200 -91.000 HIS 147 0.900 -31.454 -1.462 21.262 -99.200 -91.000 PHE 149 1.000 -32.458 2.622 32.751 -99.200 -91.000 PHE 150 1.000 -32.162 5.450 25.070 -99.200 -91.000 PHE 152 1.000 -30.137 10.806 25.553 -99.200 -91.000 TYR 153 0.840 -23.009 14.100 32.874 -99.200 -91.000 TYR 164 0.840 -27.395 -2.974 31.973 -99.200 -91.000 PHE 171 1.000 -17.910 -11.513 13.581 -99.200 -91.000 PHE 176 1.000 -24.237 -4.294 11.965 -99.200 -91.000 TYR 181 0.840 -29.121 3.095 21.778 -99.200 -91.000 HIS 186 0.900 -22.819 12.551 16.085 -99.200 -91.000 PHE 199 1.000 -23.264 4.553 22.981 -99.200 -91.000 TRP 201 1.040 -22.445 -1.257 24.548 -99.200 -91.000 TRP6 201 1.020 -21.425 -3.181 25.478 -99.200 -91.000 HIS 207 0.900 -23.885 -13.205 24.148 -99.200 -91.000 TYR 209 0.840 -24.473 -16.746 19.855 -99.200 -91.000 HIS 212 0.900 -20.830 -15.953 15.152 -99.200 -91.000 HIS 217 0.900 -9.050 -17.075 17.011 -99.200 -91.000 PHE 240 1.000 -40.863 12.912 17.795 -99.200 -91.000 TYR 242 0.840 -32.913 14.646 12.568 -99.200 -91.000 PHE 244 1.000 -30.726 6.090 3.702 -99.200 -91.000 PHE 247 1.000 -29.424 11.024 9.808 -99.200 -91.000 TYR 252 0.840 -17.136 2.387 7.294 -99.200 -91.000 HIS 255 0.900 -8.742 -3.932 7.503 -99.200 -91.000