============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 12 1.000 18.017 -22.664 -20.446 -99.200 -91.000 TRP 14 1.040 13.989 -17.846 -22.434 -99.200 -91.000 TRP6 14 1.020 14.768 -18.852 -24.428 -99.200 -91.000 PHE 25 1.000 11.796 -10.526 -5.628 -99.200 -91.000 TRP 35 1.040 5.666 -4.002 -21.419 -99.200 -91.000 TRP6 35 1.020 4.330 -3.626 -19.503 -99.200 -91.000 HIS 41 0.900 4.463 -16.821 -5.900 -99.200 -91.000 HIS 55 0.900 26.341 -18.595 -16.569 -99.200 -91.000 HIS 62 0.900 32.667 -6.914 -17.584 -99.200 -91.000 HIS 75 0.900 -5.568 -12.528 -14.734 -99.200 -91.000 HIS 76 0.900 -8.461 -9.539 -15.230 -99.200 -91.000 PHE 78 1.000 -1.749 -13.434 -6.883 -99.200 -91.000 TYR 85 0.840 0.371 -19.595 -3.888 -99.200 -91.000 HIS 87 0.900 -7.342 -16.370 -12.387 -99.200 -91.000 TYR 103 0.840 26.038 -13.435 -23.782 -99.200 -91.000 TYR 114 0.840 -0.342 -23.762 -33.748 -99.200 -91.000 PHE 118 1.000 4.079 -24.447 -30.152 -99.200 -91.000 PHE 121 1.000 4.752 -29.968 -29.591 -99.200 -91.000 TYR 125 0.840 14.822 -28.576 -21.684 -99.200 -91.000 TRP 129 1.040 20.625 -17.419 -11.276 -99.200 -91.000 TRP6 129 1.020 19.499 -16.365 -13.076 -99.200 -91.000 PHE 133 1.000 22.367 -29.445 -3.072 -99.200 -91.000 HIS 134 0.900 15.192 -29.658 3.928 -99.200 -91.000 TYR 144 0.840 19.877 -27.173 -18.580 -99.200 -91.000 PHE 161 1.000 -2.282 -26.980 -0.224 -99.200 -91.000 PHE 168 1.000 2.102 -26.426 -17.089 -99.200 -91.000 PHE 172 1.000 11.741 -36.044 -14.574 -99.200 -91.000 HIS 173 0.900 5.534 -42.830 -9.828 -99.200 -91.000 HIS 188 0.900 6.530 -25.975 -18.936 -99.200 -91.000 PHE 197 1.000 6.712 -20.559 -30.121 -99.200 -91.000 TRP 204 1.040 0.649 -23.577 -6.784 -99.200 -91.000 TRP6 204 1.020 -0.289 -25.377 -5.564 -99.200 -91.000 TYR 214 0.840 3.573 -35.484 -10.029 -99.200 -91.000 TYR 217 0.840 6.007 -25.825 -13.443 -99.200 -91.000 TYR 223 0.840 -3.743 -16.658 -16.822 -99.200 -91.000 TRP 226 1.040 -3.740 -9.634 -18.356 -99.200 -91.000 TRP6 226 1.020 -1.757 -10.226 -17.222 -99.200 -91.000