============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 22 0.900 8.156 33.025 65.424 -99.200 -91.000 PHE 24 1.000 1.647 31.954 73.768 -99.200 -91.000 PHE 29 1.000 -1.177 28.160 65.977 -99.200 -91.000 PHE 46 1.000 0.829 29.665 56.283 -99.200 -91.000 TYR 59 0.840 -0.545 38.169 74.831 -99.200 -91.000 TRP 71 1.040 -0.380 38.705 88.013 -99.200 -91.000 TRP6 71 1.020 -0.428 39.956 90.021 -99.200 -91.000 HIS 93 0.900 6.782 21.881 101.792 -99.200 -91.000 TYR 95 0.840 8.032 29.565 93.040 -99.200 -91.000 TYR 96 0.840 11.806 23.150 91.340 -99.200 -91.000 PHE 99 1.000 4.736 30.096 82.873 -99.200 -91.000 TYR 101 0.840 1.656 25.876 74.425 -99.200 -91.000 HIS 103 0.900 12.863 29.372 76.987 -99.200 -91.000 PHE 124 1.000 -1.424 23.120 92.814 -99.200 -91.000 TYR 127 0.840 -4.160 25.331 82.121 -99.200 -91.000 TYR 130 0.840 -7.480 16.602 82.604 -99.200 -91.000 TYR 143 0.840 4.835 8.791 78.286 -99.200 -91.000 TYR 145 0.840 12.862 15.902 80.681 -99.200 -91.000 TYR 146 0.840 11.047 12.082 83.917 -99.200 -91.000 TRP 157 1.040 7.848 13.122 88.513 -99.200 -91.000 TRP6 157 1.020 7.312 15.396 88.156 -99.200 -91.000 TRP 163 1.040 -6.616 23.097 91.167 -99.200 -91.000 TRP6 163 1.020 -6.626 25.421 91.608 -99.200 -91.000 HIS 166 0.900 -9.194 24.511 97.960 -99.200 -91.000 HIS 167 0.900 -11.831 24.917 101.519 -99.200 -91.000 PHE 173 1.000 -12.827 31.883 90.327 -99.200 -91.000 HIS 176 0.900 -10.508 38.673 93.231 -99.200 -91.000 HIS 183 0.900 -15.134 48.618 91.912 -99.200 -91.000 PHE 184 1.000 -21.652 46.480 87.579 -99.200 -91.000 PHE 196 1.000 -20.165 32.853 87.309 -99.200 -91.000 HIS 199 0.900 -9.376 31.653 77.328 -99.200 -91.000 TYR 212 0.840 -12.632 24.379 79.895 -99.200 -91.000 TYR 229 0.840 -28.175 29.750 93.844 -99.200 -91.000 TYR 233 0.840 -25.789 31.047 87.212 -99.200 -91.000 TRP 237 1.040 -19.200 28.065 77.000 -99.200 -91.000 TRP6 237 1.020 -18.072 26.721 78.585 -99.200 -91.000 TRP 246 1.040 -13.828 26.833 68.104 -99.200 -91.000 TRP6 246 1.020 -12.013 26.975 69.616 -99.200 -91.000 PHE 273 1.000 -5.009 31.420 81.871 -99.200 -91.000 HIS 277 0.900 -8.131 35.671 80.804 -99.200 -91.000 TYR 282 0.840 -19.990 43.912 71.894 -99.200 -91.000 TYR 288 0.840 -17.339 45.263 66.472 -99.200 -91.000 PHE 313 1.000 -5.103 31.160 93.016 -99.200 -91.000 HIS 322 0.900 -1.390 20.289 105.310 -99.200 -91.000 HIS 324 0.900 -1.167 15.277 95.562 -99.200 -91.000 PHE 353 1.000 5.770 9.810 84.610 -99.200 -91.000 PHE 354 1.000 1.729 12.334 86.539 -99.200 -91.000