============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 29 1.000 33.532 99.934 82.473 -99.200 -91.000 TYR 32 0.840 32.886 101.028 90.662 -99.200 -91.000 PHE 34 1.000 30.646 103.183 85.093 -99.200 -91.000 TRP 36 1.040 26.455 109.013 80.255 -99.200 -91.000 TRP6 36 1.020 28.283 110.458 79.822 -99.200 -91.000 TRP 47 1.040 18.928 109.288 86.657 -99.200 -91.000 TRP6 47 1.020 17.839 107.705 85.287 -99.200 -91.000 HIS 59 0.900 16.680 99.895 82.853 -99.200 -91.000 TYR 60 0.840 18.630 104.886 77.365 -99.200 -91.000 HIS 63 0.900 9.181 114.516 79.413 -99.200 -91.000 TYR 80 0.840 32.142 104.865 74.248 -99.200 -91.000 TYR 94 0.840 24.761 116.697 77.656 -99.200 -91.000 PHE 95 1.000 28.433 117.856 85.835 -99.200 -91.000 TYR 100 0.840 31.830 97.699 94.899 -99.200 -91.000 TYR 109 0.840 24.451 95.348 89.446 -99.200 -91.000 PHE 113 1.000 24.263 105.059 96.966 -99.200 -91.000 HIS 116 0.900 33.586 106.709 93.021 -99.200 -91.000 TRP 117 1.040 28.807 112.758 91.102 -99.200 -91.000 TRP6 117 1.020 26.926 113.519 89.887 -99.200 -91.000 PHE 136 1.000 38.804 145.483 73.315 -99.200 -91.000 TYR 159 0.840 34.237 134.113 75.759 -99.200 -91.000 PHE 160 1.000 29.595 129.800 70.051 -99.200 -91.000 TRP 168 1.040 43.518 139.117 87.412 -99.200 -91.000 TRP6 168 1.020 43.840 141.188 86.322 -99.200 -91.000 HIS 178 0.900 35.708 139.581 94.053 -99.200 -91.000 PHE 180 1.000 32.461 140.520 88.472 -99.200 -91.000 TYR 190 0.840 28.831 132.132 75.445 -99.200 -91.000 TYR 208 0.840 48.703 145.217 90.426 -99.200 -91.000 HIS 214 0.900 37.689 131.139 73.317 -99.200 -91.000