============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 17 0.840 72.786 97.755 87.482 -99.200 -91.000 PHE 30 1.000 76.525 106.800 85.311 -99.200 -91.000 HIS 49 0.900 73.467 99.279 75.875 -99.200 -91.000 TYR 53 0.840 63.371 94.053 77.860 -99.200 -91.000 TYR 64 0.840 82.791 118.709 88.292 -99.200 -91.000 HIS 108 0.900 78.280 124.516 86.721 -99.200 -91.000 TYR 111 0.840 75.249 120.548 96.057 -99.200 -91.000 HIS 126 0.900 88.273 119.907 104.163 -99.200 -91.000 TYR 128 0.840 78.845 121.919 108.535 -99.200 -91.000 PHE 141 1.000 77.396 103.780 101.931 -99.200 -91.000 PHE 150 1.000 76.450 94.124 114.384 -99.200 -91.000 TYR 152 0.840 77.143 86.999 105.315 -99.200 -91.000 PHE 158 1.000 71.931 85.015 117.342 -99.200 -91.000 HIS 173 0.900 83.082 102.784 106.436 -99.200 -91.000 PHE 181 1.000 78.133 93.123 119.762 -99.200 -91.000 PHE 193 1.000 74.896 89.302 120.833 -99.200 -91.000 TRP 221 1.040 78.868 92.679 93.662 -99.200 -91.000 TRP6 221 1.020 78.528 93.924 91.664 -99.200 -91.000 HIS 229 0.900 68.029 101.165 102.408 -99.200 -91.000 HIS 236 0.900 60.284 106.926 95.689 -99.200 -91.000 PHE 252 1.000 73.617 109.587 119.777 -99.200 -91.000 HIS 254 0.900 80.098 112.157 122.379 -99.200 -91.000 PHE 259 1.000 80.158 110.069 116.684 -99.200 -91.000 TRP 276 1.040 68.630 104.584 117.967 -99.200 -91.000 TRP6 276 1.020 69.810 102.921 116.802 -99.200 -91.000 TYR 281 0.840 81.458 97.134 124.785 -99.200 -91.000 TYR 297 0.840 88.141 118.957 110.046 -99.200 -91.000