============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 5 1.000 13.930 73.305 -4.140 -99.200 -91.000 TYR 8 0.840 15.836 71.633 1.292 -99.200 -91.000 PHE 12 1.000 17.569 72.619 5.833 -99.200 -91.000 TYR 16 0.840 19.832 74.380 -5.216 -99.200 -91.000 PHE 19 1.000 15.092 75.763 -14.309 -99.200 -91.000 PHE 29 1.000 11.638 69.778 -0.224 -99.200 -91.000 TYR 35 0.840 12.903 57.324 3.652 -99.200 -91.000 HIS 45 0.900 22.971 69.034 6.213 -99.200 -91.000 PHE 54 1.000 23.595 60.191 1.638 -99.200 -91.000 PHE 58 1.000 27.547 64.503 1.477 -99.200 -91.000 PHE 65 1.000 34.936 47.981 3.527 -99.200 -91.000 HIS 67 0.900 38.554 47.543 -6.038 -99.200 -91.000 PHE 72 1.000 39.003 50.001 6.159 -99.200 -91.000 TRP 107 1.040 39.733 59.168 3.901 -99.200 -91.000 TRP6 107 1.020 41.993 59.754 4.191 -99.200 -91.000 PHE 109 1.000 36.057 66.007 7.778 -99.200 -91.000 TYR 119 0.840 47.115 66.566 20.672 -99.200 -91.000 TYR 122 0.840 44.994 60.237 27.762 -99.200 -91.000 HIS 141 0.900 42.076 56.482 -3.037 -99.200 -91.000 HIS 144 0.900 37.384 60.224 -5.934 -99.200 -91.000 TYR 154 0.840 50.162 63.128 6.578 -99.200 -91.000 HIS 157 0.900 54.663 56.527 10.878 -99.200 -91.000 TYR 165 0.840 49.289 77.828 10.959 -99.200 -91.000 TYR 166 0.840 46.786 71.548 3.347 -99.200 -91.000 TYR 168 0.840 37.011 69.352 4.147 -99.200 -91.000 PHE 183 1.000 49.404 71.067 17.454 -99.200 -91.000 TYR 188 0.840 47.412 52.988 13.834 -99.200 -91.000 TYR 192 0.840 41.323 40.481 15.063 -99.200 -91.000 HIS 207 0.900 37.453 59.260 30.628 -99.200 -91.000 PHE 222 1.000 23.807 56.608 8.805 -99.200 -91.000 HIS 224 0.900 15.838 62.197 4.088 -99.200 -91.000 TYR 225 0.840 19.403 58.811 13.812 -99.200 -91.000 TYR 237 0.840 18.691 41.438 0.420 -99.200 -91.000 TYR 241 0.840 31.300 48.977 3.102 -99.200 -91.000 HIS 242 0.900 30.130 58.385 6.895 -99.200 -91.000 TYR 249 0.840 29.793 52.471 27.564 -99.200 -91.000 TYR 257 0.840 21.895 54.872 23.900 -99.200 -91.000 TRP 258 1.040 28.016 50.857 19.774 -99.200 -91.000 TRP6 258 1.020 29.529 50.427 21.526 -99.200 -91.000 TRP 264 1.040 27.583 62.824 6.520 -99.200 -91.000 TRP6 264 1.020 26.104 60.998 6.265 -99.200 -91.000 TRP 268 1.040 22.615 62.435 9.667 -99.200 -91.000 TRP6 268 1.020 23.544 61.126 11.387 -99.200 -91.000 TYR 273 0.840 27.987 64.242 18.768 -99.200 -91.000 TYR 275 0.840 21.524 59.578 20.582 -99.200 -91.000 PHE 276 1.000 24.881 54.504 14.167 -99.200 -91.000 TYR 288 0.840 36.648 46.064 9.249 -99.200 -91.000 TYR 290 0.840 41.214 50.953 12.460 -99.200 -91.000