============================================================================= 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. TYR 3 0.840 55.901 16.101 41.611 -99.200 -91.000 PHE 29 1.000 48.768 3.408 29.196 -99.200 -91.000 HIS 31 0.900 56.819 6.470 36.856 -99.200 -91.000 PHE 35 1.000 55.367 8.811 46.969 -99.200 -91.000 PHE 41 1.000 50.742 13.982 54.494 -99.200 -91.000 HIS 50 0.900 45.193 26.867 49.909 -99.200 -91.000 HIS 56 0.900 38.249 22.377 54.776 -99.200 -91.000 TRP 60 1.040 32.869 18.296 48.423 -99.200 -91.000 TRP6 60 1.020 33.775 17.908 46.294 -99.200 -91.000 PHE 61 1.000 37.246 13.749 46.566 -99.200 -91.000 TYR 70 0.840 33.096 20.775 53.427 -99.200 -91.000 HIS 72 0.900 32.317 28.053 45.868 -99.200 -91.000 TRP 79 1.040 36.766 19.356 42.643 -99.200 -91.000 TRP6 79 1.020 36.662 18.099 40.656 -99.200 -91.000 TRP 82 1.040 36.423 21.106 35.075 -99.200 -91.000 TRP6 82 1.020 38.130 21.980 36.464 -99.200 -91.000 TYR 93 0.840 37.136 11.894 41.745 -99.200 -91.000 TRP 97 1.040 35.493 7.591 46.819 -99.200 -91.000 TRP6 97 1.020 37.050 8.683 48.225 -99.200 -91.000 TRP 100 1.040 28.076 1.239 42.513 -99.200 -91.000 TRP6 100 1.020 30.085 1.447 41.318 -99.200 -91.000 HIS 107 0.900 21.060 4.917 46.476 -99.200 -91.000 TRP 132 1.040 35.230 3.543 34.772 -99.200 -91.000 TRP6 132 1.020 36.156 5.528 33.984 -99.200 -91.000 HIS 146 0.900 40.760 11.067 43.014 -99.200 -91.000 PHE 148 1.000 39.769 -0.995 40.955 -99.200 -91.000 PHE 149 1.000 40.331 4.474 47.218 -99.200 -91.000 PHE 151 1.000 42.263 1.524 51.850 -99.200 -91.000 TYR 152 0.840 49.373 -6.518 51.087 -99.200 -91.000 TYR 163 0.840 45.127 2.329 36.327 -99.200 -91.000 PHE 170 1.000 53.622 22.944 38.049 -99.200 -91.000 PHE 175 1.000 46.030 20.610 45.599 -99.200 -91.000 TYR 180 0.840 43.365 8.460 46.739 -99.200 -91.000 HIS 185 0.900 49.724 8.948 57.953 -99.200 -91.000 PHE 198 1.000 49.208 6.697 47.419 -99.200 -91.000 TRP 200 1.040 50.029 8.092 41.535 -99.200 -91.000 TRP6 200 1.020 51.061 8.194 39.403 -99.200 -91.000 HIS 206 0.900 48.049 14.254 31.462 -99.200 -91.000 TYR 208 0.840 47.098 19.387 30.712 -99.200 -91.000 HIS 211 0.900 50.543 22.908 33.827 -99.200 -91.000 HIS 216 0.900 62.561 22.959 31.384 -99.200 -91.000 PHE 239 1.000 31.745 7.518 56.977 -99.200 -91.000 TYR 241 0.840 39.640 11.213 61.242 -99.200 -91.000 PHE 243 1.000 42.093 23.073 57.854 -99.200 -91.000 PHE 246 1.000 43.155 15.445 59.307 -99.200 -91.000 TYR 251 0.840 54.742 21.917 53.146 -99.200 -91.000 HIS 254 0.900 63.070 25.059 47.422 -99.200 -91.000