============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 9 0.900 -37.265 19.404 -21.782 -99.200 -91.000 HIS 13 0.900 -33.818 31.744 -23.504 -99.200 -91.000 PHE 16 1.000 -27.953 28.599 -34.275 -99.200 -91.000 PHE 18 1.000 -25.113 22.580 -37.146 -99.200 -91.000 TYR 21 0.840 -26.713 13.104 -39.144 -99.200 -91.000 TRP 34 1.040 -20.302 20.814 -38.213 -99.200 -91.000 TRP6 34 1.020 -21.293 19.552 -36.478 -99.200 -91.000 TRP 47 1.040 -34.694 21.430 -28.786 -99.200 -91.000 TRP6 47 1.020 -34.451 19.387 -27.622 -99.200 -91.000 HIS 54 0.900 -29.334 17.117 -31.803 -99.200 -91.000 TRP 55 1.040 -30.920 19.564 -24.447 -99.200 -91.000 TRP6 55 1.020 -31.625 21.782 -24.041 -99.200 -91.000 TYR 67 0.840 -17.669 14.255 -25.127 -99.200 -91.000 TYR 70 0.840 -17.953 8.030 -15.426 -99.200 -91.000 HIS 72 0.900 -25.183 14.534 -13.122 -99.200 -91.000 PHE 73 1.000 -24.155 15.796 -19.460 -99.200 -91.000 PHE 79 1.000 -23.588 5.658 -33.944 -99.200 -91.000 TYR 88 0.840 -21.339 1.402 -32.988 -99.200 -91.000 PHE 90 1.000 -18.312 -2.129 -34.738 -99.200 -91.000 PHE 103 1.000 -15.074 -5.556 -22.399 -99.200 -91.000 PHE 142 1.000 -4.012 12.319 -49.666 -99.200 -91.000 TYR 146 0.840 -0.887 8.139 -48.578 -99.200 -91.000 PHE 150 1.000 -0.559 5.325 -44.370 -99.200 -91.000 PHE 155 1.000 -7.932 -4.256 -38.420 -99.200 -91.000 HIS 168 0.900 -15.011 -10.728 -47.692 -99.200 -91.000 TYR 171 0.840 -19.184 -5.321 -50.984 -99.200 -91.000 PHE 185 1.000 -24.281 -0.912 -38.741 -99.200 -91.000 TYR 193 0.840 -19.763 -8.449 -35.313 -99.200 -91.000 TYR 195 0.840 -11.805 -11.486 -42.446 -99.200 -91.000 PHE 248 1.000 -6.394 15.408 -39.439 -99.200 -91.000 PHE 251 1.000 -12.175 17.623 -43.563 -99.200 -91.000 PHE 255 1.000 -3.634 24.775 -44.341 -99.200 -91.000 HIS 262 0.900 0.376 27.465 -43.485 -99.200 -91.000 PHE 284 1.000 -7.842 22.041 -42.071 -99.200 -91.000 TYR 297 0.840 -26.306 17.896 -14.343 -99.200 -91.000 PHE 299 1.000 -23.395 20.920 -18.744 -99.200 -91.000 HIS 300 0.900 -21.915 25.524 -18.126 -99.200 -91.000 HIS 329 0.900 -3.084 32.128 -38.789 -99.200 -91.000 PHE 332 1.000 1.658 23.907 -40.362 -99.200 -91.000 HIS 339 0.900 -6.534 18.467 -30.304 -99.200 -91.000 PHE 342 1.000 -6.498 11.930 -32.124 -99.200 -91.000 HIS 344 0.900 -11.783 16.340 -21.931 -99.200 -91.000 HIS 347 0.900 -16.894 5.785 -23.987 -99.200 -91.000 HIS 353 0.900 -1.222 7.167 -27.801 -99.200 -91.000 TRP 366 1.040 2.304 14.393 -51.093 -99.200 -91.000 TRP6 366 1.020 0.848 12.826 -52.101 -99.200 -91.000 PHE 373 1.000 0.780 18.707 -52.095 -99.200 -91.000 HIS 383 0.900 -14.615 20.474 -46.905 -99.200 -91.000 TRP 398 1.040 2.846 15.063 -58.856 -99.200 -91.000 TRP6 398 1.020 0.954 13.978 -57.935 -99.200 -91.000