============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 23.066 79.551 43.460 -99.200 -91.000 PHE 29 1.000 21.152 77.106 49.494 -99.200 -91.000 TYR 32 0.840 18.800 80.981 40.576 -99.200 -91.000 TRP 33 1.040 12.699 74.745 41.836 -99.200 -91.000 TRP6 33 1.020 11.505 73.357 43.331 -99.200 -91.000 HIS 35 0.900 16.562 70.050 39.239 -99.200 -91.000 TRP 36 1.040 20.796 66.753 46.008 -99.200 -91.000 TRP6 36 1.020 22.973 66.377 46.845 -99.200 -91.000 TRP 47 1.040 15.496 64.815 38.535 -99.200 -91.000 TRP6 47 1.020 13.503 64.674 39.810 -99.200 -91.000 TYR 52 0.840 12.745 78.186 45.130 -99.200 -91.000 TYR 59 0.840 7.881 69.409 43.149 -99.200 -91.000 TYR 60 0.840 11.869 63.760 48.440 -99.200 -91.000 PHE 64 1.000 16.743 56.861 42.949 -99.200 -91.000 TYR 80 0.840 23.657 69.703 54.922 -99.200 -91.000 TYR 93 0.840 24.363 58.564 45.064 -99.200 -91.000 PHE 94 1.000 27.988 63.615 38.758 -99.200 -91.000 TRP 98 1.040 17.592 71.445 34.638 -99.200 -91.000 TRP6 98 1.020 19.213 70.618 33.131 -99.200 -91.000 PHE 100 1.000 11.722 74.578 33.170 -99.200 -91.000 TYR 107 0.840 15.871 83.163 31.655 -99.200 -91.000 TYR 111 0.840 27.059 78.183 37.021 -99.200 -91.000 TRP 112 1.040 25.676 69.998 35.816 -99.200 -91.000 TRP6 112 1.020 24.311 68.088 36.044 -99.200 -91.000 TYR 131 0.840 55.771 49.084 46.883 -99.200 -91.000 TYR 154 0.840 44.134 51.992 45.774 -99.200 -91.000 PHE 155 1.000 37.317 47.549 49.003 -99.200 -91.000 TRP 163 1.040 53.045 63.084 40.076 -99.200 -91.000 TRP6 163 1.020 54.914 61.652 40.189 -99.200 -91.000 HIS 173 0.900 50.443 61.003 30.376 -99.200 -91.000 PHE 175 1.000 49.029 55.357 32.853 -99.200 -91.000 TYR 184 0.840 39.603 48.929 43.361 -99.200 -91.000 HIS 208 0.900 42.597 54.373 50.811 -99.200 -91.000