============================================================================= 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 10 0.840 -42.619 35.074 34.860 -99.200 -91.000 PHE 23 1.000 -40.025 29.105 31.129 -99.200 -91.000 TRP 24 1.040 -48.240 27.897 31.002 -99.200 -91.000 TRP6 24 1.020 -47.550 26.690 32.914 -99.200 -91.000 PHE 40 1.000 -19.167 23.767 21.126 -99.200 -91.000 HIS 42 0.900 -21.858 19.093 17.604 -99.200 -91.000 PHE 45 1.000 -16.151 19.542 22.249 -99.200 -91.000 HIS 48 0.900 -21.446 14.615 19.101 -99.200 -91.000 PHE 56 1.000 -30.819 37.611 23.639 -99.200 -91.000 PHE 58 1.000 -27.836 42.328 19.752 -99.200 -91.000 TYR 61 0.840 -35.861 44.838 25.861 -99.200 -91.000 PHE 62 1.000 -29.508 43.834 24.920 -99.200 -91.000 PHE 70 1.000 -23.895 45.647 28.069 -99.200 -91.000 TYR 73 0.840 -21.915 37.324 32.748 -99.200 -91.000 TYR 76 0.840 -28.033 34.528 26.652 -99.200 -91.000 TYR 79 0.840 -35.332 39.308 26.114 -99.200 -91.000 HIS 87 0.900 -43.352 40.567 30.599 -99.200 -91.000 PHE 100 1.000 -34.587 48.878 41.282 -99.200 -91.000 HIS 122 0.900 -1.782 32.147 26.036 -99.200 -91.000 PHE 150 1.000 -33.772 47.518 34.292 -99.200 -91.000 PHE 174 1.000 -37.859 34.845 52.055 -99.200 -91.000 PHE 179 1.000 -35.039 38.593 58.937 -99.200 -91.000 PHE 181 1.000 -30.871 44.620 56.773 -99.200 -91.000 PHE 197 1.000 -12.620 26.045 30.114 -99.200 -91.000 PHE 202 1.000 -20.115 21.858 33.806 -99.200 -91.000 PHE 221 1.000 -36.660 12.618 39.546 -99.200 -91.000 PHE 228 1.000 -24.658 19.371 33.427 -99.200 -91.000 HIS 244 0.900 -42.246 49.236 46.353 -99.200 -91.000 TYR 259 0.840 -31.998 30.986 51.042 -99.200 -91.000 TYR 266 0.840 -20.142 12.292 50.423 -99.200 -91.000 HIS 267 0.900 -16.449 13.594 45.629 -99.200 -91.000 HIS 272 0.900 -24.809 11.994 52.752 -99.200 -91.000 TYR 298 0.840 -44.043 21.285 40.591 -99.200 -91.000 HIS 302 0.900 -29.818 20.307 40.802 -99.200 -91.000 PHE 333 1.000 -40.962 20.555 29.174 -99.200 -91.000 HIS 336 0.900 -27.622 22.395 35.817 -99.200 -91.000 HIS 355 0.900 -50.609 29.148 33.815 -99.200 -91.000 PHE 357 1.000 -49.942 21.029 33.103 -99.200 -91.000 TYR 370 0.840 -32.104 3.548 42.030 -99.200 -91.000 TYR 377 0.840 -43.079 8.233 33.960 -99.200 -91.000 TYR 387 0.840 -48.291 27.199 51.634 -99.200 -91.000 PHE 393 1.000 -31.026 19.154 46.238 -99.200 -91.000 PHE 395 1.000 -21.903 19.562 39.119 -99.200 -91.000 HIS 398 0.900 -21.897 25.518 46.747 -99.200 -91.000 PHE 404 1.000 -40.836 30.003 44.708 -99.200 -91.000 TRP 407 1.040 -51.655 37.458 45.846 -99.200 -91.000 TRP6 407 1.020 -50.756 37.965 47.975 -99.200 -91.000