============================================================================= 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. TYR 17 0.840 0.293 50.380 -12.852 -99.200 -91.000 PHE 31 1.000 -3.026 62.535 1.215 -99.200 -91.000 TYR 32 0.840 -1.060 59.551 -2.544 -99.200 -91.000 HIS 39 0.900 4.813 49.652 3.800 -99.200 -91.000 TYR 42 0.840 13.488 53.767 -8.862 -99.200 -91.000 TYR 49 0.840 7.623 53.663 -10.319 -99.200 -91.000 PHE 53 1.000 1.740 44.984 6.649 -99.200 -91.000 PHE 56 1.000 1.932 38.677 -6.046 -99.200 -91.000 HIS 58 0.900 8.274 48.218 -8.794 -99.200 -91.000 HIS 59 0.900 4.000 49.903 -10.010 -99.200 -91.000 PHE 76 1.000 -8.978 47.655 -14.760 -99.200 -91.000 TYR 90 0.840 -13.091 43.256 -25.824 -99.200 -91.000 TYR 91 0.840 -9.913 47.963 -24.594 -99.200 -91.000 PHE 105 1.000 2.572 52.236 -22.097 -99.200 -91.000 PHE 121 1.000 -12.978 57.112 -17.336 -99.200 -91.000 TYR 123 0.840 -10.315 50.757 -18.231 -99.200 -91.000 PHE 125 1.000 -7.161 46.075 -20.200 -99.200 -91.000 PHE 126 1.000 0.176 44.868 -14.668 -99.200 -91.000 PHE 127 1.000 1.581 36.980 -16.094 -99.200 -91.000 HIS 131 0.900 6.292 37.879 -8.590 -99.200 -91.000 HIS 136 0.900 2.270 37.699 4.125 -99.200 -91.000 TYR 139 0.840 1.515 41.165 11.638 -99.200 -91.000 TYR 142 0.840 -0.926 46.478 10.751 -99.200 -91.000 HIS 152 0.900 -13.351 50.650 -4.556 -99.200 -91.000 PHE 153 1.000 -7.999 51.228 -10.722 -99.200 -91.000 TYR 166 0.840 -15.711 49.417 -22.193 -99.200 -91.000 PHE 172 1.000 -13.991 45.071 -15.144 -99.200 -91.000 TYR 186 0.840 -30.133 58.793 -10.566 -99.200 -91.000 TRP 189 1.040 -20.370 50.310 -6.314 -99.200 -91.000 TRP6 189 1.020 -22.235 51.797 -6.419 -99.200 -91.000 HIS 191 0.900 -16.919 40.140 -9.115 -99.200 -91.000 HIS 197 0.900 -16.328 48.835 -5.693 -99.200 -91.000 HIS 210 0.900 -16.171 60.113 -6.765 -99.200 -91.000 HIS 211 0.900 -13.920 56.498 -5.069 -99.200 -91.000 PHE 214 1.000 -4.205 52.507 -2.230 -99.200 -91.000 HIS 217 0.900 -4.861 43.503 7.881 -99.200 -91.000 HIS 220 0.900 -8.161 48.656 14.687 -99.200 -91.000 HIS 245 0.900 -19.362 53.389 0.892 -99.200 -91.000 PHE 251 1.000 -16.023 52.415 9.533 -99.200 -91.000 TYR 252 0.840 -18.482 55.987 3.689 -99.200 -91.000 TYR 254 0.840 -15.632 58.161 -0.390 -99.200 -91.000 HIS 261 0.900 -4.991 63.284 -8.569 -99.200 -91.000 TYR 266 0.840 -14.589 48.943 -0.099 -99.200 -91.000 TYR 270 0.840 -21.675 42.093 -0.901 -99.200 -91.000 TYR 271 0.840 -17.317 34.345 -2.975 -99.200 -91.000 TRP 282 1.040 -28.435 49.655 -2.432 -99.200 -91.000 TRP6 282 1.020 -28.851 49.875 -0.090 -99.200 -91.000 HIS 285 0.900 -35.729 59.910 -5.501 -99.200 -91.000 TRP 292 1.040 -26.763 50.361 7.305 -99.200 -91.000 TRP6 292 1.020 -28.498 49.502 5.926 -99.200 -91.000 TRP 293 1.040 -23.883 53.970 10.179 -99.200 -91.000 TRP6 293 1.020 -21.609 54.573 10.578 -99.200 -91.000 TRP 301 1.040 -18.122 60.942 -2.604 -99.200 -91.000 TRP6 301 1.020 -19.330 59.452 -3.997 -99.200 -91.000 TYR 302 0.840 -23.989 62.995 -4.800 -99.200 -91.000 PHE 336 1.000 -38.928 61.914 -0.843 -99.200 -91.000 PHE 338 1.000 -36.793 55.753 0.286 -99.200 -91.000 TYR 348 0.840 -33.842 63.656 6.025 -99.200 -91.000 HIS 349 0.900 -40.583 66.173 1.264 -99.200 -91.000 PHE 356 1.000 -25.245 69.564 8.740 -99.200 -91.000