============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 19 1.000 19.487 22.735 13.744 -99.200 -91.000 TRP 25 1.040 23.605 14.614 -4.828 -99.200 -91.000 TRP6 25 1.020 21.752 15.683 -3.815 -99.200 -91.000 HIS 30 0.900 25.159 21.939 -4.751 -99.200 -91.000 PHE 32 1.000 22.239 19.117 2.888 -99.200 -91.000 TRP 49 1.040 20.173 28.043 14.379 -99.200 -91.000 TRP6 49 1.020 19.335 29.320 12.565 -99.200 -91.000 PHE 50 1.000 12.595 31.679 12.906 -99.200 -91.000 PHE 70 1.000 2.028 34.117 14.551 -99.200 -91.000 TYR 73 0.840 14.041 44.259 13.674 -99.200 -91.000 HIS 87 0.900 6.550 24.722 4.424 -99.200 -91.000 TYR 97 0.840 17.396 24.850 -2.237 -99.200 -91.000 PHE 113 1.000 13.824 45.624 7.777 -99.200 -91.000 TYR 118 0.840 14.550 50.948 6.635 -99.200 -91.000 TYR 122 0.840 2.901 52.060 10.801 -99.200 -91.000 TRP 129 1.040 2.099 30.711 8.508 -99.200 -91.000 TRP6 129 1.020 0.437 31.696 9.884 -99.200 -91.000 PHE 130 1.000 2.046 21.431 13.755 -99.200 -91.000 PHE 137 1.000 0.982 15.038 12.955 -99.200 -91.000 TRP 147 1.040 -3.412 33.624 12.693 -99.200 -91.000 TRP6 147 1.020 -3.933 34.810 10.712 -99.200 -91.000 HIS 149 0.900 -11.289 31.940 14.035 -99.200 -91.000 TYR 157 0.840 -4.239 21.268 20.539 -99.200 -91.000 TYR 171 0.840 -2.160 18.367 24.040 -99.200 -91.000 TYR 179 0.840 8.838 25.047 19.692 -99.200 -91.000 TYR 187 0.840 -9.859 35.946 11.616 -99.200 -91.000 HIS 195 0.900 1.785 35.203 5.192 -99.200 -91.000 PHE 196 1.000 3.931 41.980 1.128 -99.200 -91.000 HIS 199 0.900 7.079 27.460 -1.614 -99.200 -91.000 TYR 222 0.840 -4.624 22.027 -1.967 -99.200 -91.000 TRP 224 1.040 -4.652 16.910 -0.403 -99.200 -91.000 TRP6 224 1.020 -3.028 17.060 1.307 -99.200 -91.000 HIS 230 0.900 -14.936 -1.399 3.666 -99.200 -91.000 HIS 235 0.900 -5.330 -20.389 -0.359 -99.200 -91.000 TRP 241 1.040 -10.132 -15.751 -12.644 -99.200 -91.000 TRP6 241 1.020 -8.908 -13.872 -11.913 -99.200 -91.000 HIS 265 0.900 -13.509 17.220 -16.849 -99.200 -91.000 PHE 269 1.000 -6.028 10.247 -8.625 -99.200 -91.000 TYR 279 0.840 2.005 -5.954 3.757 -99.200 -91.000 PHE 290 1.000 -8.021 4.365 -3.847 -99.200 -91.000 PHE 294 1.000 -9.644 13.417 -8.302 -99.200 -91.000 HIS 296 0.900 -9.263 22.920 -13.864 -99.200 -91.000 PHE 313 1.000 -13.243 6.627 -7.603 -99.200 -91.000 TYR 327 0.840 -16.886 4.541 -3.512 -99.200 -91.000 PHE 340 1.000 -1.720 34.516 -3.144 -99.200 -91.000 HIS 341 0.900 -6.144 43.309 -1.148 -99.200 -91.000 PHE 353 1.000 7.294 44.471 -13.833 -99.200 -91.000 PHE 356 1.000 15.457 40.736 -10.380 -99.200 -91.000 TRP 365 1.040 -2.438 29.625 -12.854 -99.200 -91.000 TRP6 365 1.020 -2.467 27.285 -12.463 -99.200 -91.000 HIS 370 0.900 2.815 27.912 -1.734 -99.200 -91.000 HIS 378 0.900 -9.565 35.374 8.024 -99.200 -91.000 PHE 385 1.000 5.307 30.317 -6.985 -99.200 -91.000 HIS 394 0.900 6.027 18.106 -2.087 -99.200 -91.000 TYR 396 0.840 16.235 12.191 -0.082 -99.200 -91.000 TYR 397 0.840 19.365 13.716 -6.440 -99.200 -91.000 TYR 399 0.840 20.801 24.035 -7.502 -99.200 -91.000 PHE 409 1.000 17.264 39.319 1.547 -99.200 -91.000 TYR 419 0.840 1.284 46.483 3.671 -99.200 -91.000 TYR 422 0.840 -1.011 51.520 1.202 -99.200 -91.000 HIS 428 0.900 1.506 60.604 7.959 -99.200 -91.000 PHE 430 1.000 -8.065 56.658 4.410 -99.200 -91.000