============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 29 1.000 28.154 49.892 94.213 -99.200 -91.000 TYR 32 0.840 33.510 53.645 89.993 -99.200 -91.000 TRP 36 1.040 31.482 53.467 104.160 -99.200 -91.000 TRP6 36 1.020 29.875 55.188 104.246 -99.200 -91.000 TRP 47 1.040 40.190 53.062 105.426 -99.200 -91.000 TRP6 47 1.020 40.195 50.733 105.751 -99.200 -91.000 PHE 55 1.000 34.837 40.448 95.728 -99.200 -91.000 TYR 60 0.840 33.639 45.471 108.262 -99.200 -91.000 PHE 64 1.000 36.165 52.939 113.873 -99.200 -91.000 TYR 80 0.840 22.125 51.793 101.953 -99.200 -91.000 TYR 93 0.840 30.774 58.408 111.402 -99.200 -91.000 PHE 94 1.000 34.287 63.650 105.139 -99.200 -91.000 HIS 100 0.900 44.196 51.617 96.182 -99.200 -91.000 TRP 105 1.040 38.109 61.601 99.604 -99.200 -91.000 TRP6 105 1.020 38.519 60.819 101.795 -99.200 -91.000 PHE 124 1.000 21.248 84.819 128.222 -99.200 -91.000 TYR 147 0.840 24.661 75.670 119.585 -99.200 -91.000 PHE 148 1.000 22.508 67.527 120.819 -99.200 -91.000 TRP 156 1.040 27.463 90.162 114.483 -99.200 -91.000 TRP6 156 1.020 27.082 91.139 116.597 -99.200 -91.000 HIS 166 0.900 38.010 87.564 114.183 -99.200 -91.000 PHE 168 1.000 36.457 83.821 119.330 -99.200 -91.000 TYR 178 0.840 27.783 70.410 119.952 -99.200 -91.000 TYR 196 0.840 27.524 98.379 116.088 -99.200 -91.000 HIS 202 0.900 20.434 75.011 116.800 -99.200 -91.000