============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 3 0.840 74.238 81.057 16.810 -99.200 -91.000 PHE 7 1.000 68.812 76.958 21.187 -99.200 -91.000 PHE 31 1.000 67.069 68.638 30.577 -99.200 -91.000 HIS 99 0.900 48.317 77.081 53.726 -99.200 -91.000 TRP 109 1.040 55.081 77.458 57.127 -99.200 -91.000 TRP6 109 1.020 54.362 79.354 55.831 -99.200 -91.000 PHE 121 1.000 71.446 74.294 51.067 -99.200 -91.000 TRP 122 1.040 67.647 68.945 52.714 -99.200 -91.000 TRP6 122 1.020 68.864 70.331 54.192 -99.200 -91.000 PHE 127 1.000 72.253 64.657 42.369 -99.200 -91.000 PHE 155 1.000 42.637 83.582 49.875 -99.200 -91.000 TYR 159 0.840 53.150 76.611 44.777 -99.200 -91.000 HIS 167 0.900 60.956 82.816 41.705 -99.200 -91.000 TRP 177 1.040 78.296 76.829 44.394 -99.200 -91.000 TRP6 177 1.020 76.472 75.273 44.334 -99.200 -91.000 TYR 191 0.840 47.188 79.246 37.558 -99.200 -91.000 PHE 207 1.000 41.208 75.867 33.677 -99.200 -91.000 TRP 210 1.040 43.451 79.498 38.578 -99.200 -91.000 TRP6 210 1.020 44.120 77.212 38.623 -99.200 -91.000 PHE 231 1.000 67.859 80.142 26.810 -99.200 -91.000 TYR 239 0.840 77.482 87.365 30.241 -99.200 -91.000 TYR 251 0.840 48.462 85.131 36.645 -99.200 -91.000 TRP 254 1.040 47.067 92.157 31.547 -99.200 -91.000 TRP6 254 1.020 45.646 90.368 30.861 -99.200 -91.000