============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 2 0.900 98.770 -2.664 45.945 -99.200 -91.000 PHE 3 1.000 97.849 1.977 48.994 -99.200 -91.000 PHE 5 1.000 98.771 9.625 50.348 -99.200 -91.000 TYR 9 0.840 98.833 25.466 45.122 -99.200 -91.000 PHE 18 1.000 84.911 10.039 50.762 -99.200 -91.000 PHE 38 1.000 76.192 14.097 32.597 -99.200 -91.000 PHE 44 1.000 73.528 6.806 47.036 -99.200 -91.000 PHE 48 1.000 83.698 3.230 44.593 -99.200 -91.000 TYR 58 0.840 77.049 23.875 43.846 -99.200 -91.000 PHE 64 1.000 71.398 15.631 35.207 -99.200 -91.000 PHE 76 1.000 72.204 14.106 29.347 -99.200 -91.000 PHE 93 1.000 82.781 -0.351 40.580 -99.200 -91.000 TYR 96 0.840 80.759 -2.364 35.639 -99.200 -91.000 PHE 98 1.000 86.764 -1.505 28.554 -99.200 -91.000 PHE 101 1.000 87.492 1.951 23.195 -99.200 -91.000 TYR 111 0.840 80.801 16.261 18.448 -99.200 -91.000 TYR 113 0.840 91.519 15.895 12.054 -99.200 -91.000 PHE 119 1.000 78.441 22.446 15.009 -99.200 -91.000 TRP 130 1.040 92.827 3.382 36.352 -99.200 -91.000 TRP6 130 1.020 94.790 3.332 37.668 -99.200 -91.000 HIS 135 0.900 87.955 -6.048 48.146 -99.200 -91.000 TYR 139 0.840 83.985 -8.582 34.186 -99.200 -91.000 HIS 140 0.900 83.014 -4.141 41.205 -99.200 -91.000 PHE 147 1.000 91.654 -2.059 26.511 -99.200 -91.000 PHE 148 1.000 89.096 4.840 27.079 -99.200 -91.000 HIS 150 0.900 96.255 3.094 18.349 -99.200 -91.000 PHE 163 1.000 98.505 19.863 46.129 -99.200 -91.000 PHE 181 1.000 90.797 13.093 37.927 -99.200 -91.000 PHE 182 1.000 90.350 5.773 33.231 -99.200 -91.000 TYR 188 0.840 87.159 7.033 44.936 -99.200 -91.000 TYR 200 0.840 94.795 22.571 44.317 -99.200 -91.000 TRP 221 1.040 99.883 5.003 34.905 -99.200 -91.000 TRP6 221 1.020 101.683 4.543 33.465 -99.200 -91.000 HIS 226 0.900 101.161 6.916 46.599 -99.200 -91.000 TRP 254 1.040 103.888 9.824 26.181 -99.200 -91.000 TRP6 254 1.020 106.098 9.243 26.747 -99.200 -91.000 HIS 273 0.900 101.380 -0.928 32.425 -99.200 -91.000 PHE 281 1.000 101.169 5.782 27.509 -99.200 -91.000 PHE 294 1.000 120.697 2.588 20.126 -99.200 -91.000 TYR 307 0.840 102.192 -12.270 36.262 -99.200 -91.000 PHE 311 1.000 93.555 -7.091 39.235 -99.200 -91.000 HIS 313 0.900 87.452 -13.283 44.801 -99.200 -91.000 PHE 315 1.000 94.189 -18.045 41.534 -99.200 -91.000 PHE 318 1.000 100.076 -15.916 45.190 -99.200 -91.000 TYR 319 0.840 97.157 -9.269 37.083 -99.200 -91.000 TRP 324 1.040 108.429 -7.966 48.494 -99.200 -91.000 TRP6 324 1.020 110.525 -7.542 49.532 -99.200 -91.000 TYR 327 0.840 115.234 -5.110 45.846 -99.200 -91.000 TYR 336 0.840 122.106 -5.958 30.203 -99.200 -91.000