============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TRP 7 1.040 14.676 -16.647 42.057 -99.200 -91.000 TRP6 7 1.020 14.669 -14.713 43.420 -99.200 -91.000 PHE 8 1.000 15.901 -15.134 48.529 -99.200 -91.000 PHE 11 1.000 20.794 -21.191 54.234 -99.200 -91.000 TRP 22 1.040 4.054 -13.913 53.148 -99.200 -91.000 TRP6 22 1.020 4.291 -12.261 54.825 -99.200 -91.000 TRP 28 1.040 17.647 -8.258 52.755 -99.200 -91.000 TRP6 28 1.020 18.242 -6.244 53.843 -99.200 -91.000 TYR 32 0.840 20.479 -9.505 43.094 -99.200 -91.000 TYR 40 0.840 11.791 -18.481 34.240 -99.200 -91.000 TYR 41 0.840 11.523 -13.419 34.969 -99.200 -91.000 PHE 53 1.000 -0.028 8.408 38.353 -99.200 -91.000 TYR 58 0.840 5.635 16.322 43.882 -99.200 -91.000 HIS 61 0.900 11.841 21.398 42.446 -99.200 -91.000 TYR 62 0.840 11.426 15.975 43.204 -99.200 -91.000 PHE 66 1.000 11.130 7.313 38.116 -99.200 -91.000 HIS 73 0.900 21.649 2.618 37.031 -99.200 -91.000 PHE 74 1.000 11.966 -0.978 35.757 -99.200 -91.000 HIS 78 0.900 15.142 -9.172 30.657 -99.200 -91.000 PHE 82 1.000 11.400 3.893 31.321 -99.200 -91.000 TYR 83 0.840 2.901 1.638 30.465 -99.200 -91.000 PHE 103 1.000 8.493 8.716 25.804 -99.200 -91.000 PHE 106 1.000 -1.431 6.935 28.559 -99.200 -91.000 TRP 114 1.040 -0.127 17.920 49.884 -99.200 -91.000 TRP6 114 1.020 0.428 15.929 51.035 -99.200 -91.000 HIS 128 0.900 -3.767 5.341 32.048 -99.200 -91.000 HIS 132 0.900 -2.266 1.681 28.491 -99.200 -91.000 HIS 135 0.900 -5.360 -6.069 26.711 -99.200 -91.000 PHE 139 1.000 6.528 -10.586 35.952 -99.200 -91.000 PHE 141 1.000 8.691 -3.554 40.345 -99.200 -91.000 PHE 149 1.000 14.876 3.098 38.732 -99.200 -91.000 PHE 153 1.000 14.014 -1.575 41.339 -99.200 -91.000 TRP 168 1.040 13.703 7.171 57.341 -99.200 -91.000 TRP6 168 1.020 15.121 8.398 58.786 -99.200 -91.000 TRP 169 1.040 9.159 3.637 59.982 -99.200 -91.000 TRP6 169 1.020 8.899 4.246 62.252 -99.200 -91.000 TYR 170 0.840 16.583 -2.172 57.731 -99.200 -91.000 PHE 177 1.000 6.412 -2.171 61.353 -99.200 -91.000 TYR 179 0.840 1.262 -1.377 60.156 -99.200 -91.000 TYR 188 0.840 -7.906 -0.294 63.780 -99.200 -91.000 PHE 191 1.000 -0.890 0.683 68.507 -99.200 -91.000 PHE 196 1.000 8.450 -8.014 56.931 -99.200 -91.000 TYR 197 0.840 4.953 2.177 57.285 -99.200 -91.000 TYR 198 0.840 4.775 -4.732 53.266 -99.200 -91.000 HIS 199 0.900 8.786 4.719 50.676 -99.200 -91.000 PHE 203 1.000 1.815 0.323 44.076 -99.200 -91.000 PHE 218 1.000 -9.955 6.079 44.027 -99.200 -91.000 TRP 233 1.040 2.172 8.222 57.925 -99.200 -91.000 TRP6 233 1.020 3.251 10.297 57.561 -99.200 -91.000 HIS 234 0.900 -1.770 11.553 53.141 -99.200 -91.000 HIS 238 0.900 -6.716 3.830 52.523 -99.200 -91.000 TYR 242 0.840 -4.041 -5.556 48.122 -99.200 -91.000 PHE 243 1.000 1.632 -4.871 49.080 -99.200 -91.000 TYR 256 0.840 16.427 -4.282 45.042 -99.200 -91.000 TRP 258 1.040 19.940 4.071 52.409 -99.200 -91.000 TRP6 258 1.020 19.092 2.939 54.304 -99.200 -91.000 TYR 260 0.840 22.673 7.218 49.523 -99.200 -91.000 HIS 261 0.900 18.351 13.349 57.193 -99.200 -91.000 TRP 275 1.040 13.713 7.318 50.366 -99.200 -91.000 TRP6 275 1.020 12.500 7.958 52.292 -99.200 -91.000 TYR 280 0.840 7.041 17.115 51.597 -99.200 -91.000