============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 2 0.840 32.486 -2.238 46.713 -99.200 -91.000 TYR 12 0.840 22.621 -5.267 20.504 -99.200 -91.000 TRP 37 1.040 10.082 -2.398 28.046 -99.200 -91.000 TRP6 37 1.020 7.998 -1.313 27.773 -99.200 -91.000 PHE 47 1.000 8.098 -5.268 23.980 -99.200 -91.000 TRP 59 1.040 12.527 8.225 27.916 -99.200 -91.000 TRP6 59 1.020 12.600 6.534 29.557 -99.200 -91.000 PHE 60 1.000 8.981 9.413 31.089 -99.200 -91.000 PHE 71 1.000 2.104 12.623 9.207 -99.200 -91.000 TRP 73 1.040 -0.287 5.019 3.091 -99.200 -91.000 TRP6 73 1.020 1.930 5.559 2.451 -99.200 -91.000 TYR 84 0.840 4.353 3.644 30.625 -99.200 -91.000 TYR 93 0.840 21.009 15.100 20.524 -99.200 -91.000 TYR 99 0.840 13.443 8.426 15.564 -99.200 -91.000 TYR 122 0.840 34.038 1.452 6.121 -99.200 -91.000 PHE 123 1.000 37.067 -4.154 12.823 -99.200 -91.000 TYR 136 0.840 36.270 -9.392 10.078 -99.200 -91.000 TYR 139 0.840 37.756 -11.452 20.620 -99.200 -91.000 PHE 140 1.000 33.017 -8.728 13.490 -99.200 -91.000 HIS 151 0.900 22.321 -17.163 8.290 -99.200 -91.000 TRP 156 1.040 7.925 -18.979 4.519 -99.200 -91.000 TRP6 156 1.020 8.476 -16.914 5.539 -99.200 -91.000 PHE 157 1.000 13.112 -13.289 0.098 -99.200 -91.000 TRP 162 1.040 2.964 -13.011 5.520 -99.200 -91.000 TRP6 162 1.020 1.846 -11.259 6.639 -99.200 -91.000 TYR 163 0.840 10.305 -11.431 4.331 -99.200 -91.000 PHE 165 1.000 9.307 -6.208 2.371 -99.200 -91.000 PHE 182 1.000 17.978 -14.433 0.602 -99.200 -91.000 TYR 187 0.840 10.544 -12.256 14.329 -99.200 -91.000 PHE 189 1.000 14.768 -14.525 9.094 -99.200 -91.000 TYR 191 0.840 6.946 -17.303 16.816 -99.200 -91.000 TYR 211 0.840 5.756 2.181 18.135 -99.200 -91.000 HIS 215 0.900 4.044 -13.767 20.846 -99.200 -91.000 TYR 224 0.840 26.041 -11.595 24.296 -99.200 -91.000 HIS 240 0.900 17.220 2.163 40.488 -99.200 -91.000 TYR 253 0.840 36.146 5.289 38.400 -99.200 -91.000 TYR 276 0.840 37.439 -4.191 38.866 -99.200 -91.000 PHE 278 1.000 33.533 -3.202 32.976 -99.200 -91.000 TRP 310 1.040 26.769 10.759 17.027 -99.200 -91.000 TRP6 310 1.020 25.301 11.548 15.383 -99.200 -91.000 HIS 323 0.900 7.266 1.009 -13.757 -99.200 -91.000 TRP 325 1.040 4.527 -2.903 -14.674 -99.200 -91.000 TRP6 325 1.020 3.900 -0.851 -15.658 -99.200 -91.000 HIS 331 0.900 -1.801 -9.129 4.380 -99.200 -91.000 TRP 343 1.040 30.922 -0.192 2.132 -99.200 -91.000 TRP6 343 1.020 29.938 1.608 3.289 -99.200 -91.000 PHE 351 1.000 24.462 -3.906 3.865 -99.200 -91.000 TRP 364 1.040 0.899 -0.160 -6.784 -99.200 -91.000 TRP6 364 1.020 -1.256 0.365 -6.046 -99.200 -91.000 TYR 368 0.840 14.536 1.088 -1.963 -99.200 -91.000 PHE 380 1.000 26.645 13.342 21.189 -99.200 -91.000 TYR 382 0.840 27.564 19.825 31.050 -99.200 -91.000 TRP 393 1.040 24.436 15.969 11.713 -99.200 -91.000 TRP6 393 1.020 26.280 14.757 10.887 -99.200 -91.000 PHE 409 1.000 18.029 3.462 -3.205 -99.200 -91.000 TYR 420 0.840 14.683 9.251 -5.937 -99.200 -91.000 TYR 422 0.840 10.494 13.909 -5.508 -99.200 -91.000 PHE 425 1.000 11.138 10.208 4.092 -99.200 -91.000 PHE 432 1.000 17.376 10.850 -1.948 -99.200 -91.000 PHE 436 1.000 16.674 8.214 9.259 -99.200 -91.000 TYR 438 0.840 15.191 4.449 12.504 -99.200 -91.000 TYR 453 0.840 42.628 -4.384 23.829 -99.200 -91.000 TYR 459 0.840 39.518 9.898 35.299 -99.200 -91.000 TYR 463 0.840 37.559 -1.038 32.523 -99.200 -91.000 PHE 479 1.000 21.896 -6.649 16.128 -99.200 -91.000