============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. HIS 1 0.900 24.079 -3.714 27.260 -99.200 -91.000 PHE 4 1.000 23.190 -14.956 27.222 -99.200 -91.000 PHE 5 1.000 18.958 -12.649 21.817 -99.200 -91.000 TYR 15 0.840 21.435 -26.577 20.858 -99.200 -91.000 TYR 20 0.840 35.217 -32.987 16.440 -99.200 -91.000 PHE 25 1.000 35.373 -38.689 24.807 -99.200 -91.000 PHE 28 1.000 43.087 -38.142 25.851 -99.200 -91.000 TRP 29 1.040 38.785 -39.009 28.254 -99.200 -91.000 TRP6 29 1.020 39.914 -37.674 29.848 -99.200 -91.000 PHE 39 1.000 52.783 -42.790 38.384 -99.200 -91.000 PHE 45 1.000 41.393 -39.569 53.806 -99.200 -91.000 HIS 51 0.900 40.090 -21.355 66.634 -99.200 -91.000 TYR 58 0.840 39.896 -36.508 59.728 -99.200 -91.000 PHE 62 1.000 43.310 -36.600 45.477 -99.200 -91.000 TYR 65 0.840 48.412 -36.423 33.902 -99.200 -91.000 TRP 73 1.040 40.376 -27.663 53.144 -99.200 -91.000 TRP6 73 1.020 42.302 -27.684 54.506 -99.200 -91.000 TYR 90 0.840 35.072 -33.314 41.538 -99.200 -91.000 TYR 93 0.840 39.077 -20.308 34.750 -99.200 -91.000 PHE 99 1.000 41.383 -19.680 55.199 -99.200 -91.000 HIS 101 0.900 36.615 -20.548 57.535 -99.200 -91.000 TRP 103 1.040 35.345 -25.778 51.014 -99.200 -91.000 TRP6 103 1.020 34.561 -25.486 48.821 -99.200 -91.000 PHE 105 1.000 23.908 -27.151 51.685 -99.200 -91.000 TRP 106 1.040 26.896 -30.666 49.838 -99.200 -91.000 TRP6 106 1.020 24.723 -31.568 49.568 -99.200 -91.000 TYR 111 0.840 24.512 -35.882 52.090 -99.200 -91.000 PHE 114 1.000 38.681 -36.079 48.769 -99.200 -91.000 TRP 125 1.040 36.482 -18.066 42.962 -99.200 -91.000 TRP6 125 1.020 35.346 -19.461 44.483 -99.200 -91.000 TYR 133 0.840 52.907 -31.459 40.551 -99.200 -91.000 TYR 142 0.840 44.188 -14.120 26.242 -99.200 -91.000 PHE 145 1.000 44.647 -21.757 35.615 -99.200 -91.000 TYR 156 0.840 42.660 -28.234 27.399 -99.200 -91.000 TYR 157 0.840 44.418 -26.751 34.395 -99.200 -91.000 TYR 158 0.840 39.931 -27.477 32.444 -99.200 -91.000 PHE 162 1.000 37.749 -32.733 32.634 -99.200 -91.000 PHE 175 1.000 37.631 -40.495 57.011 -99.200 -91.000 PHE 213 1.000 34.373 -22.692 31.793 -99.200 -91.000 HIS 216 0.900 27.414 -26.986 21.615 -99.200 -91.000 PHE 217 1.000 35.313 -26.773 25.871 -99.200 -91.000 HIS 227 0.900 38.555 -13.305 29.717 -99.200 -91.000 TYR 229 0.840 32.677 -21.636 27.697 -99.200 -91.000 PHE 235 1.000 46.005 -20.841 21.466 -99.200 -91.000 HIS 239 0.900 48.870 -19.074 18.696 -99.200 -91.000 PHE 247 1.000 36.688 -24.574 18.370 -99.200 -91.000 TYR 252 0.840 40.614 -36.589 21.995 -99.200 -91.000 PHE 253 1.000 40.818 -32.818 27.271 -99.200 -91.000 PHE 258 1.000 34.422 -36.325 29.529 -99.200 -91.000 PHE 268 1.000 23.026 -32.188 34.049 -99.200 -91.000 PHE 283 1.000 17.774 -26.438 29.039 -99.200 -91.000 TYR 286 0.840 18.307 -32.268 31.657 -99.200 -91.000 TYR 288 0.840 23.598 -35.104 22.386 -99.200 -91.000 TYR 289 0.840 23.770 -37.450 33.132 -99.200 -91.000 TYR 298 0.840 16.8