============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 17 1.000 22.427 41.201 23.113 -99.200 -91.000 TYR 30 0.840 24.855 54.472 15.965 -99.200 -91.000 PHE 32 1.000 34.735 56.554 21.383 -99.200 -91.000 TYR 50 0.840 6.735 60.995 15.406 -99.200 -91.000 PHE 56 1.000 7.561 74.339 18.984 -99.200 -91.000 HIS 69 0.900 20.848 56.546 22.401 -99.200 -91.000 PHE 72 1.000 18.430 47.253 26.479 -99.200 -91.000 HIS 83 0.900 33.157 30.962 43.255 -99.200 -91.000 PHE 92 1.000 27.927 36.877 34.382 -99.200 -91.000 HIS 95 0.900 32.948 41.117 29.938 -99.200 -91.000 HIS 104 0.900 19.334 35.287 34.215 -99.200 -91.000 PHE 109 1.000 10.987 29.380 23.987 -99.200 -91.000 TYR 159 0.840 29.503 39.208 55.886 -99.200 -91.000 HIS 161 0.900 18.925 41.584 52.407 -99.200 -91.000 PHE 171 1.000 19.928 46.135 54.654 -99.200 -91.000 PHE 180 1.000 29.004 49.294 51.668 -99.200 -91.000 TYR 194 0.840 14.384 37.527 37.865 -99.200 -91.000 TYR 252 0.840 -0.023 36.952 17.678 -99.200 -91.000 TYR 267 0.840 14.420 56.698 29.483 -99.200 -91.000 PHE 275 1.000 16.955 67.674 28.661 -99.200 -91.000 PHE 276 1.000 10.112 65.316 24.950 -99.200 -91.000 TRP 286 1.040 18.015 66.970 24.264 -99.200 -91.000 TRP6 286 1.020 20.196 66.983 23.341 -99.200 -91.000 HIS 302 0.900 24.600 73.183 22.135 -99.200 -91.000 PHE 308 1.000 20.975 76.722 34.007 -99.200 -91.000 TRP 316 1.040 4.612 66.155 27.216 -99.200 -91.000 TRP6 316 1.020 2.905 65.600 25.677 -99.200 -91.000 TRP 325 1.040 9.604 77.347 22.597 -99.200 -91.000 TRP6 325 1.020 10.011 76.750 24.844 -99.200 -91.000 TRP 333 1.040 -0.146 77.888 30.866 -99.200 -91.000 TRP6 333 1.020 -1.391 76.873 29.131 -99.200 -91.000 TYR 341 0.840 12.942 72.477 37.120 -99.200 -91.000 TYR 350 0.840 16.154 78.706 23.494 -99.200 -91.000 PHE 353 1.000 23.442 85.374 28.178 -99.200 -91.000