============================================================================= 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 2 1.000 -5.435 26.527 53.827 -99.200 -91.000 HIS 7 0.900 -21.673 24.156 47.212 -99.200 -91.000 PHE 9 1.000 -11.145 27.750 47.831 -99.200 -91.000 PHE 29 1.000 -16.432 14.333 60.793 -99.200 -91.000 TYR 56 0.840 -26.396 16.189 58.594 -99.200 -91.000 PHE 64 1.000 -18.354 14.201 55.307 -99.200 -91.000 PHE 74 1.000 -4.047 22.466 49.645 -99.200 -91.000 HIS 76 0.900 1.953 18.462 43.614 -99.200 -91.000 TYR 98 0.840 -9.916 2.613 44.004 -99.200 -91.000 PHE 107 1.000 1.470 -1.264 48.972 -99.200 -91.000 HIS 111 0.900 2.918 -5.898 49.659 -99.200 -91.000 PHE 115 1.000 6.826 -2.503 47.633 -99.200 -91.000 TYR 133 0.840 0.374 23.410 44.881 -99.200 -91.000 PHE 139 1.000 -3.077 22.466 54.911 -99.200 -91.000 HIS 141 0.900 -1.304 16.869 56.690 -99.200 -91.000 PHE 162 1.000 -4.875 17.767 52.451 -99.200 -91.000 TRP 166 1.040 4.000 10.246 62.522 -99.200 -91.000 TRP6 166 1.020 2.829 8.801 63.979 -99.200 -91.000 TYR 174 0.840 7.181 27.802 71.207 -99.200 -91.000 PHE 177 1.000 1.435 22.168 65.566 -99.200 -91.000 TRP 184 1.040 10.238 16.049 64.155 -99.200 -91.000 TRP6 184 1.020 12.228 16.421 65.360 -99.200 -91.000 TYR 186 0.840 9.716 13.771 53.405 -99.200 -91.000 TRP 191 1.040 12.977 5.236 61.659 -99.200 -91.000 TRP6 191 1.020 11.252 3.972 62.661 -99.200 -91.000 TYR 196 0.840 10.007 -2.444 53.212 -99.200 -91.000 TYR 201 0.840 10.189 8.794 68.248 -99.200 -91.000 TRP 202 1.040 10.265 0.720 67.751 -99.200 -91.000 TRP6 202 1.020 12.102 2.040 68.454 -99.200 -91.000 TYR 217 0.840 19.370 9.352 73.945 -99.200 -91.000 TYR 230 0.840 19.956 7.410 60.902 -99.200 -91.000 TRP 237 1.040 13.611 13.200 62.390 -99.200 -91.000 TRP6 237 1.020 14.484 11.013 62.356 -99.200 -91.000 PHE 247 1.000 8.090 19.507 53.358 -99.200 -91.000