============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 5 1.000 45.676 3.462 72.656 -99.200 -91.000 TYR 27 0.840 52.651 9.134 42.420 -99.200 -91.000 TYR 32 0.840 52.976 14.673 38.320 -99.200 -91.000 HIS 38 0.900 39.251 14.040 37.545 -99.200 -91.000 PHE 43 1.000 43.047 9.419 40.814 -99.200 -91.000 HIS 47 0.900 39.287 5.957 40.650 -99.200 -91.000 PHE 48 1.000 39.984 2.928 36.654 -99.200 -91.000 TYR 58 0.840 36.166 -6.775 53.035 -99.200 -91.000 TYR 64 0.840 29.188 -7.928 46.198 -99.200 -91.000 PHE 68 1.000 38.070 3.572 45.595 -99.200 -91.000 PHE 77 1.000 24.473 7.395 58.502 -99.200 -91.000 TYR 90 0.840 17.287 1.693 58.016 -99.200 -91.000 TRP 96 1.040 27.571 7.337 63.517 -99.200 -91.000 TRP6 96 1.020 29.304 7.130 65.095 -99.200 -91.000 PHE 122 1.000 21.367 2.528 71.010 -99.200 -91.000 HIS 124 0.900 21.387 -6.131 74.136 -99.200 -91.000 PHE 130 1.000 17.527 -6.925 59.225 -99.200 -91.000 TYR 136 0.840 17.241 -0.150 52.485 -99.200 -91.000 TYR 138 0.840 21.928 0.973 57.598 -99.200 -91.000 TYR 146 0.840 25.902 3.545 72.453 -99.200 -91.000 TYR 150 0.840 24.791 -6.659 63.926 -99.200 -91.000 TYR 153 0.840 28.212 -8.555 58.933 -99.200 -91.000 PHE 168 1.000 35.173 -0.342 54.253 -99.200 -91.000 PHE 169 1.000 39.216 -2.754 52.782 -99.200 -91.000 PHE 175 1.000 31.503 -8.852 51.226 -99.200 -91.000 PHE 181 1.000 31.611 -4.632 54.303 -99.200 -91.000 TYR 182 0.840 27.818 2.619 54.403 -99.200 -91.000 PHE 198 1.000 34.246 -3.379 49.108 -99.200 -91.000 TYR 216 0.840 24.615 4.081 46.300 -99.200 -91.000 HIS 219 0.900 28.712 8.877 42.217 -99.200 -91.000 PHE 226 1.000 28.519 13.119 37.351 -99.200 -91.000 PHE 232 1.000 47.447 12.976 50.117 -99.200 -91.000 TYR 235 0.840 49.715 8.625 47.483 -99.200 -91.000 PHE 236 1.000 40.433 2.186 49.869 -99.200 -91.000 TRP 241 1.040 50.498 -1.456 56.523 -99.200 -91.000 TRP6 241 1.020 48.652 -1.750 57.959 -99.200 -91.000 HIS 252 0.900 39.159 -11.969 63.135 -99.200 -91.000 TYR 262 0.840 37.012 -6.125 74.969 -99.200 -91.000 PHE 271 1.000 40.638 1.526 89.221 -99.200 -91.000 TYR 272 0.840 40.960 0.330 84.748 -99.200 -91.000 HIS 275 0.900 27.596 0.767 77.304 -99.200 -91.000 PHE 287 1.000 38.750 1.246 79.686 -99.200 -91.000 PHE 299 1.000 42.811 5.382 81.898 -99.200 -91.000 HIS 313 0.900 29.921 10.494 71.447 -99.200 -91.000 TYR 324 0.840 39.472 2.470 64.642 -99.200 -91.000 PHE 338 1.000 47.898 5.597 82.259 -99.200 -91.000 PHE 341 1.000 44.167 6.535 86.823 -99.200 -91.000 TYR 345 0.840 45.189 8.425 90.830 -99.200 -91.000