============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 13 0.840 70.307 74.902 50.353 -99.200 -91.000 HIS 20 0.900 89.823 73.615 51.949 -99.200 -91.000 TYR 29 0.840 82.183 71.666 57.020 -99.200 -91.000 TYR 32 0.840 70.976 80.621 51.203 -99.200 -91.000 HIS 43 0.900 72.678 91.201 61.969 -99.200 -91.000 PHE 46 1.000 74.906 82.129 67.444 -99.200 -91.000 TYR 48 0.840 79.266 80.088 63.461 -99.200 -91.000 TYR 58 0.840 67.237 67.730 54.401 -99.200 -91.000 TRP 68 1.040 60.723 63.734 66.769 -99.200 -91.000 TRP6 68 1.020 59.835 64.662 64.784 -99.200 -91.000 TYR 77 0.840 65.693 62.362 70.897 -99.200 -91.000 PHE 99 1.000 61.126 74.353 61.706 -99.200 -91.000 PHE 103 1.000 66.861 79.405 55.429 -99.200 -91.000 TYR 132 0.840 55.446 58.515 40.246 -99.200 -91.000 PHE 143 1.000 52.308 67.427 49.081 -99.200 -91.000 PHE 144 1.000 54.033 63.239 46.476 -99.200 -91.000 PHE 152 1.000 49.619 66.661 44.627 -99.200 -91.000 TRP 156 1.040 51.391 57.192 50.514 -99.200 -91.000 TRP6 156 1.020 53.696 57.151 51.051 -99.200 -91.000 TYR 158 0.840 54.933 54.109 41.336 -99.200 -91.000 PHE 167 1.000 59.456 55.910 49.022 -99.200 -91.000 TYR 185 0.840 63.858 57.727 40.475 -99.200 -91.000 TYR 187 0.840 64.806 62.848 44.283 -99.200 -91.000 TYR 196 0.840 73.385 74.405 42.870 -99.200 -91.000 TYR 217 0.840 64.422 74.905 52.183 -99.200 -91.000 TRP 251 1.040 76.543 80.595 48.310 -99.200 -91.000 TRP6 251 1.020 78.604 79.459 48.060 -99.200 -91.000 TRP 252 1.040 69.967 78.372 43.624 -99.200 -91.000 TRP6 252 1.020 70.385 78.231 45.950 -99.200 -91.000 TYR 253 0.840 69.404 83.009 40.379 -99.200 -91.000