============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 -5.448 13.638 -14.486 -99.200 -91.000 TYR 12 0.840 0.134 7.899 -7.331 -99.200 -91.000 PHE 13 1.000 -4.980 7.881 -12.692 -99.200 -91.000 TRP 16 1.040 -5.330 -0.178 -6.684 -99.200 -91.000 TRP6 16 1.020 -5.425 -0.151 -4.300 -99.200 -91.000 PHE 24 1.000 -13.476 5.381 -2.782 -99.200 -91.000 HIS 26 0.900 -6.750 13.997 -0.896 -99.200 -91.000 TRP 28 1.040 -5.986 21.030 4.556 -99.200 -91.000 TRP6 28 1.020 -5.457 21.180 6.855 -99.200 -91.000 TRP 35 1.040 -10.349 8.217 -0.647 -99.200 -91.000 TRP6 35 1.020 -12.389 8.458 0.544 -99.200 -91.000 TYR 37 0.840 -6.848 0.169 5.861 -99.200 -91.000 TYR 41 0.840 -16.080 -4.028 2.234 -99.200 -91.000 TYR 47 0.840 -19.243 -2.459 -6.733 -99.200 -91.000 PHE 52 1.000 -8.776 13.472 -6.911 -99.200 -91.000 PHE 57 1.000 -3.250 18.903 -0.318 -99.200 -91.000 TRP 64 1.040 1.890 31.184 -6.405 -99.200 -91.000 TRP6 64 1.020 2.652 31.171 -4.178 -99.200 -91.000 TYR 69 0.840 -13.558 23.120 -2.844 -99.200 -91.000 PHE 72 1.000 -8.595 22.284 -5.125 -99.200 -91.000 HIS 82 0.900 -5.580 9.575 -18.734 -99.200 -91.000 PHE 93 1.000 -12.801 12.723 5.651 -99.200 -91.000 TYR 103 0.840 -17.450 15.617 -12.933 -99.200 -91.000 HIS 107 0.900 -16.450 19.688 -16.032 -99.200 -91.000 PHE 125 1.000 -15.451 23.852 7.564 -99.200 -91.000 TYR 131 0.840 -25.021 28.065 6.474 -99.200 -91.000 PHE 140 1.000 -12.729 27.849 8.325 -99.200 -91.000 PHE 143 1.000 -8.299 26.144 12.589 -99.200 -91.000 PHE 154 1.000 -3.096 23.806 12.302 -99.200 -91.000 PHE 158 1.000 -6.742 18.439 11.125 -99.200 -91.000 PHE 162 1.000 -8.727 13.527 10.124 -99.200 -91.000 TYR 163 0.840 -7.164 10.070 12.765 -99.200 -91.000 PHE 198 1.000 -10.563 23.573 4.424 -99.200 -91.000 PHE 203 1.000 -18.135 23.607 -2.250 -99.200 -91.000 HIS 218 0.900 -20.646 15.724 8.771 -99.200 -91.000 PHE 227 1.000 -25.655 15.877 11.545 -99.200 -91.000 TYR 246 0.840 -21.143 5.877 9.910 -99.200 -91.000 HIS 251 0.900 -13.504 15.811 9.310 -99.200 -91.000 PHE 253 1.000 -17.393 9.259 8.523 -99.200 -91.000 HIS 257 0.900 -17.434 5.247 13.881 -99.200 -91.000 PHE 268 1.000 -25.281 5.685 -2.894 -99.200 -91.000