============================================================================= 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. PHE 14 1.000 25.273 4.925 102.954 -99.200 -91.000 HIS 47 0.900 20.870 24.386 98.423 -99.200 -91.000 TYR 55 0.840 21.069 18.470 108.965 -99.200 -91.000 PHE 92 1.000 22.276 3.954 113.011 -99.200 -91.000 TYR 130 0.840 32.962 0.439 90.958 -99.200 -91.000 TYR 139 0.840 31.705 -1.828 106.749 -99.200 -91.000 HIS 147 0.900 17.598 -7.950 99.372 -99.200 -91.000 TRP 161 1.040 13.039 2.614 75.308 -99.200 -91.000 TRP6 161 1.020 11.384 4.182 75.937 -99.200 -91.000 PHE 162 1.000 20.118 2.852 74.329 -99.200 -91.000 HIS 165 0.900 15.999 9.794 76.736 -99.200 -91.000 TYR 168 0.840 17.960 9.829 82.533 -99.200 -91.000 TYR 173 0.840 19.017 1.196 79.279 -99.200 -91.000 TYR 178 0.840 29.157 -0.707 87.724 -99.200 -91.000 PHE 186 1.000 30.254 -8.590 95.446 -99.200 -91.000 TRP 196 1.040 12.403 2.248 85.206 -99.200 -91.000 TRP6 196 1.020 14.012 3.908 85.676 -99.200 -91.000 HIS 202 0.900 3.175 15.044 92.985 -99.200 -91.000 TYR 227 0.840 8.497 -3.418 104.305 -99.200 -91.000 PHE 230 1.000 14.639 -2.373 100.541 -99.200 -91.000 PHE 236 1.000 13.648 -11.003 94.090 -99.200 -91.000 PHE 240 1.000 18.243 -6.164 85.456 -99.200 -91.000 PHE 255 1.000 -1.335 -2.442 91.407 -99.200 -91.000 TYR 258 0.840 0.349 1.712 95.921 -99.200 -91.000 HIS 264 0.900 -5.387 12.442 83.820 -99.200 -91.000 PHE 270 1.000 11.784 9.287 79.571 -99.200 -91.000 PHE 271 1.000 15.359 4.613 80.168 -99.200 -91.000