============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 27 0.840 23.246 108.296 42.166 -99.200 -91.000 TYR 32 0.840 25.463 103.341 45.350 -99.200 -91.000 TRP 33 1.040 30.247 107.512 51.432 -99.200 -91.000 TRP6 33 1.020 32.370 106.742 52.099 -99.200 -91.000 TRP 36 1.040 31.088 118.053 45.740 -99.200 -91.000 TRP6 36 1.020 30.029 119.567 44.262 -99.200 -91.000 PHE 37 1.000 37.846 113.822 42.450 -99.200 -91.000 TRP 47 1.040 38.707 113.846 47.793 -99.200 -91.000 TRP6 47 1.020 39.519 113.656 50.009 -99.200 -91.000 TYR 54 0.840 21.333 106.772 56.065 -99.200 -91.000 HIS 59 0.900 38.282 112.600 55.326 -99.200 -91.000 TYR 60 0.840 34.838 119.468 54.099 -99.200 -91.000 PHE 64 1.000 41.191 121.893 47.741 -99.200 -91.000 TYR 80 0.840 22.679 122.690 47.094 -99.200 -91.000 TYR 93 0.840 36.106 124.384 41.641 -99.200 -91.000 TYR 94 0.840 35.178 117.688 36.030 -99.200 -91.000 PHE 98 1.000 35.043 107.200 46.959 -99.200 -91.000 TYR 105 0.840 36.891 102.314 48.073 -99.200 -91.000 TYR 109 0.840 27.203 106.294 35.566 -99.200 -91.000 TRP 110 1.040 34.244 111.186 36.881 -99.200 -91.000 TRP6 110 1.020 35.851 112.490 38.030 -99.200 -91.000 TYR 129 0.840 33.471 143.010 14.328 -99.200 -91.000 TYR 152 0.840 33.582 135.860 24.130 -99.200 -91.000 PHE 153 1.000 35.136 138.355 31.874 -99.200 -91.000 TRP 161 1.040 29.547 127.778 11.426 -99.200 -91.000 TRP6 161 1.020 30.106 129.781 10.293 -99.200 -91.000 HIS 171 0.900 38.218 122.335 11.542 -99.200 -91.000 PHE 173 1.000 40.205 127.578 14.301 -99.200 -91.000 TYR 182 0.840 37.555 134.872 27.961 -99.200 -91.000 TRP 195 1.040 29.346 131.960 0.542 -99.200 -91.000 TRP6 195 1.020 31.323 133.165 0.060 -99.200 -91.000 HIS 206 0.900 28.680 136.884 26.662 -99.200 -91.000