============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 5 1.040 -13.379 -23.240 9.293 -99.200 -91.000 TRP6 5 1.020 -13.384 -21.075 10.237 -99.200 -91.000 TRP 14 1.040 -23.376 -28.971 19.119 -99.200 -91.000 TRP6 14 1.020 -21.391 -29.555 20.268 -99.200 -91.000 PHE 19 1.000 -35.712 -32.603 4.290 -99.200 -91.000 TRP 37 1.040 -36.914 -32.627 25.910 -99.200 -91.000 TRP6 37 1.020 -38.955 -31.537 25.440 -99.200 -91.000 HIS 43 0.900 -36.446 -16.869 12.834 -99.200 -91.000 TYR 47 0.840 -42.860 -13.514 10.428 -99.200 -91.000 TRP 49 1.040 -43.309 -14.003 5.550 -99.200 -91.000 TRP6 49 1.020 -44.319 -12.044 4.674 -99.200 -91.000 PHE 53 1.000 -43.290 -24.856 8.427 -99.200 -91.000 HIS 65 0.900 -19.131 -33.128 6.495 -99.200 -91.000 TYR 70 0.840 -30.653 -41.941 3.891 -99.200 -91.000 TYR 84 0.840 -44.249 -28.877 24.062 -99.200 -91.000 HIS 86 0.900 -40.986 -17.391 25.963 -99.200 -91.000 TYR 89 0.840 -41.778 -15.857 17.668 -99.200 -91.000 TRP 91 1.040 -46.193 -13.039 16.011 -99.200 -91.000 TRP6 91 1.020 -47.310 -11.687 14.428 -99.200 -91.000 PHE 110 1.000 -27.086 -38.959 23.320 -99.200 -91.000 TYR 113 0.840 -19.540 -39.641 12.557 -99.200 -91.000 HIS 115 0.900 -21.953 -36.420 23.490 -99.200 -91.000 TYR 133 0.840 -14.054 -13.054 27.065 -99.200 -91.000 TRP 140 1.040 -25.637 -28.568 6.584 -99.200 -91.000 TRP6 140 1.020 -26.642 -29.245 8.625 -99.200 -91.000 TRP 147 1.040 -27.689 -15.544 -7.995 -99.200 -91.000 TRP6 147 1.020 -29.739 -15.221 -6.871 -99.200 -91.000 PHE 184 1.000 -25.336 -14.076 22.196 -99.200 -91.000 PHE 188 1.000 -14.534 -11.543 12.964 -99.200 -91.000 PHE 207 1.000 -21.881 -17.017 19.700 -99.200 -91.000 PHE 213 1.000 -14.028 -21.015 34.245 -99.200 -91.000 TRP 217 1.040 -16.939 -27.840 22.226 -99.200 -91.000 TRP6 217 1.020 -16.320 -25.948 20.949 -99.200 -91.000 TYR 218 0.840 -21.159 -25.202 29.467 -99.200 -91.000 TRP 225 1.040 -33.110 -10.443 15.116 -99.200 -91.000 TRP6 225 1.020 -32.456 -8.217 14.613 -99.200 -91.000 TYR 235 0.840 -21.699 -5.219 14.686 -99.200 -91.000 PHE 237 1.000 -28.806 -7.547 16.652 -99.200 -91.000 TYR 238 0.840 -25.659 -15.189 16.895 -99.200 -91.000 HIS 240 0.900 -28.105 -14.151 27.527 -99.200 -91.000 PHE 242 1.000 -28.042 -18.176 33.049 -99.200 -91.000 TRP 247 1.040 -40.634 -21.357 27.545 -99.200 -91.000 TRP6 247 1.020 -39.547 -22.360 25.713 -99.200 -91.000 PHE 255 1.000 -42.143 -34.851 29.280 -99.200 -91.000