============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 2 1.000 78.176 62.776 38.575 -99.200 -91.000 HIS 9 0.900 66.915 76.991 49.073 -99.200 -91.000 PHE 26 1.000 67.729 58.067 60.812 -99.200 -91.000 TYR 31 0.840 77.485 50.380 64.412 -99.200 -91.000 PHE 59 1.000 79.581 58.641 69.823 -99.200 -91.000 TYR 70 0.840 67.008 70.183 70.193 -99.200 -91.000 TYR 83 0.840 65.173 56.010 64.288 -99.200 -91.000 HIS 103 0.900 71.591 77.018 75.305 -99.200 -91.000 TYR 129 0.840 74.026 81.593 57.154 -99.200 -91.000 TYR 136 0.840 78.264 89.661 45.692 -99.200 -91.000 PHE 146 1.000 85.497 83.168 61.659 -99.200 -91.000 PHE 151 1.000 84.213 83.863 68.036 -99.200 -91.000 TYR 153 0.840 82.972 73.099 66.934 -99.200 -91.000 PHE 154 1.000 88.668 78.751 70.970 -99.200 -91.000 HIS 155 0.900 82.402 81.304 74.355 -99.200 -91.000 HIS 163 0.900 81.318 69.629 84.815 -99.200 -91.000 TYR 179 0.840 92.381 69.050 56.662 -99.200 -91.000 TYR 188 0.840 81.326 75.421 56.418 -99.200 -91.000 PHE 198 1.000 88.932 74.192 70.160 -99.200 -91.000 TRP 222 1.040 70.433 63.881 51.049 -99.200 -91.000 TRP6 222 1.020 70.396 65.850 49.739 -99.200 -91.000 PHE 230 1.000 76.232 74.417 49.138 -99.200 -91.000 PHE 238 1.000 76.187 67.734 49.303 -99.200 -91.000 TYR 251 0.840 75.125 54.145 55.953 -99.200 -91.000 TYR 257 0.840 81.861 62.247 64.125 -99.200 -91.000 TYR 259 0.840 90.103 54.801 65.404 -99.200 -91.000 TYR 267 0.840 100.910 55.663 70.905 -99.200 -91.000 HIS 274 0.900 91.475 64.526 56.383 -99.200 -91.000