============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.470 6.372 18.770 -99.200 -91.000 TRP6 14 1.020 7.209 8.224 19.544 -99.200 -91.000 PHE 19 1.000 12.678 -5.527 3.301 -99.200 -91.000 TRP 37 1.040 23.124 10.457 14.461 -99.200 -91.000 TRP6 37 1.020 24.968 9.004 14.389 -99.200 -91.000 HIS 43 0.900 19.524 -9.134 19.804 -99.200 -91.000 TYR 47 0.840 24.213 -14.575 19.039 -99.200 -91.000 TRP 49 1.040 22.518 -18.526 16.568 -99.200 -91.000 TRP6 49 1.020 20.632 -17.212 17.004 -99.200 -91.000 PHE 53 1.000 22.673 -9.467 8.735 -99.200 -91.000 HIS 65 0.900 -1.090 0.659 10.381 -99.200 -91.000 TYR 70 0.840 7.416 1.646 -1.895 -99.200 -91.000 TYR 84 0.840 29.352 5.119 14.215 -99.200 -91.000 HIS 86 0.900 29.236 -0.069 24.903 -99.200 -91.000 TYR 89 0.840 26.754 -7.564 21.175 -99.200 -91.000 TRP 91 1.040 30.279 -11.331 20.685 -99.200 -91.000 TRP6 91 1.020 31.197 -13.488 20.355 -99.200 -91.000 PHE 110 1.000 12.181 14.930 11.872 -99.200 -91.000 TYR 113 0.840 1.221 9.517 7.588 -99.200 -91.000 HIS 115 0.900 7.865 14.760 15.559 -99.200 -91.000 TYR 132 0.840 5.748 4.438 38.270 -99.200 -91.000 TRP 139 1.040 5.389 -3.937 11.291 -99.200 -91.000 TRP6 139 1.020 7.014 -2.234 11.458 -99.200 -91.000 PHE 177 1.000 13.894 -1.568 31.121 -99.200 -91.000 TYR 181 0.840 0.506 -7.448 32.432 -99.200 -91.000 PHE 200 1.000 9.383 -0.674 28.618 -99.200 -91.000 PHE 206 1.000 7.007 14.354 36.330 -99.200 -91.000 TRP 210 1.040 4.242 9.421 23.681 -99.200 -91.000 TRP6 210 1.020 3.533 7.383 24.617 -99.200 -91.000 TYR 211 0.840 11.296 12.167 27.968 -99.200 -91.000 TRP 218 1.040 18.712 -11.070 27.443 -99.200 -91.000 TRP6 218 1.020 18.051 -12.634 29.074 -99.200 -91.000 TYR 228 0.840 8.847 -12.158 34.961 -99.200 -91.000 PHE 230 1.000 15.672 -10.607 31.787 -99.200 -91.000 TYR 231 0.840 11.871 -5.015 27.251 -99.200 -91.000 HIS 233 0.900 18.654 1.750 32.822 -99.200 -91.000 PHE 235 1.000 20.423 8.575 32.604 -99.200 -91.000 TRP 240 1.040 28.966 3.897 22.752 -99.200 -91.000 TRP6 240 1.020 27.202 3.211 21.386 -99.200 -91.000 PHE 248 1.000 32.627 8.637 15.180 -99.200 -91.000