============================================================================= 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 21 0.840 12.503 43.133 82.100 -99.200 -91.000 PHE 34 1.000 19.113 60.353 72.918 -99.200 -91.000 HIS 50 0.900 4.526 51.065 86.009 -99.200 -91.000 PHE 55 1.000 12.487 42.218 87.749 -99.200 -91.000 TYR 67 0.840 22.650 62.322 72.236 -99.200 -91.000 PHE 95 1.000 27.385 53.174 52.138 -99.200 -91.000 TYR 111 0.840 25.075 67.226 76.806 -99.200 -91.000 PHE 116 1.000 34.244 49.782 78.573 -99.200 -91.000 HIS 130 0.900 31.779 56.647 61.495 -99.200 -91.000 PHE 131 1.000 31.086 56.616 69.912 -99.200 -91.000 HIS 139 0.900 42.554 54.020 69.346 -99.200 -91.000 PHE 154 1.000 33.308 27.453 68.824 -99.200 -91.000 PHE 157 1.000 24.937 27.151 68.246 -99.200 -91.000 HIS 161 0.900 28.305 16.167 70.053 -99.200 -91.000 PHE 162 1.000 31.592 17.050 73.684 -99.200 -91.000 HIS 177 0.900 28.551 39.760 65.487 -99.200 -91.000 PHE 197 1.000 35.405 15.942 75.359 -99.200 -91.000 HIS 214 0.900 23.449 26.008 65.013 -99.200 -91.000 TRP 219 1.040 23.620 36.687 60.545 -99.200 -91.000 TRP6 219 1.020 22.231 38.320 59.516 -99.200 -91.000 TYR 232 0.840 14.109 40.757 70.947 -99.200 -91.000 PHE 233 1.000 13.949 38.047 74.447 -99.200 -91.000 TYR 246 0.840 34.306 51.246 82.916 -99.200 -91.000 PHE 259 1.000 43.790 50.899 67.659 -99.200 -91.000 HIS 263 0.900 48.573 41.829 72.072 -99.200 -91.000 TYR 264 0.840 44.920 37.464 68.695 -99.200 -91.000 TYR 270 0.840 38.352 49.879 68.033 -99.200 -91.000