============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 13 1.000 31.135 12.592 -3.607 -99.200 -91.000 HIS 14 0.900 29.140 5.443 -7.824 -99.200 -91.000 PHE 15 1.000 25.850 2.574 -0.197 -99.200 -91.000 PHE 20 1.000 17.757 -6.330 1.595 -99.200 -91.000 TRP 24 1.040 17.523 1.952 4.040 -99.200 -91.000 TRP6 24 1.020 15.327 2.494 3.373 -99.200 -91.000 PHE 28 1.000 21.468 9.906 10.436 -99.200 -91.000 TYR 30 0.840 30.326 3.254 8.842 -99.200 -91.000 HIS 33 0.900 28.170 6.146 16.414 -99.200 -91.000 PHE 41 1.000 24.254 13.271 17.654 -99.200 -91.000 PHE 49 1.000 16.095 13.160 16.001 -99.200 -91.000 TYR 57 0.840 11.101 11.681 6.288 -99.200 -91.000 TYR 62 0.840 12.227 11.927 -4.863 -99.200 -91.000 HIS 63 0.900 9.654 14.976 -2.430 -99.200 -91.000 TRP 65 1.040 13.389 5.631 6.990 -99.200 -91.000 TRP6 65 1.020 14.423 7.290 8.312 -99.200 -91.000 HIS 67 0.900 14.515 12.754 -1.074 -99.200 -91.000 HIS 73 0.900 25.924 7.876 0.443 -99.200 -91.000 TYR 76 0.840 29.827 9.040 5.601 -99.200 -91.000 PHE 86 1.000 31.383 22.529 5.279 -99.200 -91.000 HIS 101 0.900 15.487 16.502 2.876 -99.200 -91.000 HIS 105 0.900 7.093 16.425 0.329 -99.200 -91.000 PHE 108 1.000 -0.716 16.254 -2.468 -99.200 -91.000 TYR 112 0.840 -2.851 20.311 -3.996 -99.200 -91.000 PHE 116 1.000 -6.829 21.430 0.006 -99.200 -91.000 HIS 118 0.900 -2.398 22.007 4.514 -99.200 -91.000 TYR 124 0.840 5.113 26.964 9.311 -99.200 -91.000 HIS 132 0.900 4.237 20.395 8.977 -99.200 -91.000 HIS 133 0.900 9.077 18.980 5.112 -99.200 -91.000 PHE 134 1.000 13.808 24.385 12.796 -99.200 -91.000 HIS 146 0.900 11.811 10.398 21.124 -99.200 -91.000 PHE 149 1.000 21.178 18.083 18.117 -99.200 -91.000 TYR 157 0.840 18.496 22.352 21.810 -99.200 -91.000 TYR 176 0.840 19.855 25.790 -7.691 -99.200 -91.000 PHE 177 1.000 15.775 27.699 -9.857 -99.200 -91.000 TYR 187 0.840 34.828 29.799 -8.664 -99.200 -91.000 HIS 195 0.900 38.425 31.798 6.847 -99.200 -91.000 HIS 199 0.900 30.664 35.672 1.319 -99.200 -91.000 TRP 220 1.040 20.017 5.003 -17.800 -99.200 -91.000 TRP6 220 1.020 18.843 7.046 -17.643 -99.200 -91.000 TYR 231 0.840 8.686 13.302 -14.325 -99.200 -91.000 PHE 234 1.000 7.559 16.314 -10.137 -99.200 -91.000 TRP 235 1.040 2.749 12.444 -14.371 -99.200 -91.000 TRP6 235 1.020 3.759 10.395 -14.942 -99.200 -91.000 PHE 267 1.000 15.783 18.834 -11.683 -99.200 -91.000 TYR 268 0.840 19.620 15.286 -15.320 -99.200 -91.000 TYR 276 0.840 24.618 17.808 -8.300 -99.200 -91.000 TRP 300 1.040 17.281 11.660 -17.906 -99.200 -91.000 TRP6 300 1.020 15.209 10.542 -18.030 -99.200 -91.000