============================================================================= 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. PHE 39 1.000 16.918 -24.049 52.156 -99.200 -91.000 HIS 75 0.900 18.133 -15.714 46.688 -99.200 -91.000 TYR 85 0.840 31.802 -13.669 47.705 -99.200 -91.000 PHE 86 1.000 27.128 -18.651 53.781 -99.200 -91.000 HIS 88 0.900 32.545 -18.117 44.006 -99.200 -91.000 PHE 99 1.000 22.362 -19.210 44.699 -99.200 -91.000 TYR 147 0.840 35.254 -11.265 39.572 -99.200 -91.000 PHE 159 1.000 20.927 -9.913 39.252 -99.200 -91.000 TYR 166 0.840 27.249 -10.414 31.918 -99.200 -91.000 TYR 176 0.840 28.112 -19.192 21.767 -99.200 -91.000 TYR 177 0.840 30.667 -21.951 30.678 -99.200 -91.000 HIS 185 0.900 35.894 -21.287 42.239 -99.200 -91.000 PHE 191 1.000 36.616 -18.351 53.855 -99.200 -91.000 TYR 206 0.840 25.709 4.843 51.125 -99.200 -91.000 TYR 208 0.840 25.586 9.508 55.180 -99.200 -91.000 TYR 214 0.840 23.405 8.490 64.826 -99.200 -91.000 TYR 216 0.840 31.446 4.342 61.766 -99.200 -91.000 HIS 222 0.900 22.207 -2.445 69.522 -99.200 -91.000 TYR 229 0.840 33.299 4.071 55.243 -99.200 -91.000 HIS 284 0.900 29.210 -9.671 45.777 -99.200 -91.000 TYR 305 0.840 40.886 -16.048 55.212 -99.200 -91.000 PHE 306 1.000 37.236 -9.087 52.868 -99.200 -91.000 HIS 307 0.900 44.372 -7.617 49.061 -99.200 -91.000 TYR 309 0.840 39.108 -17.742 49.784 -99.200 -91.000