============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 2 0.840 17.564 11.608 33.739 -99.200 -91.000 HIS 11 0.900 19.983 16.046 20.545 -99.200 -91.000 PHE 12 1.000 24.878 13.553 26.881 -99.200 -91.000 PHE 18 1.000 6.257 2.279 30.964 -99.200 -91.000 TYR 21 0.840 2.704 -4.261 21.321 -99.200 -91.000 PHE 43 1.000 10.803 2.674 33.763 -99.200 -91.000 HIS 45 0.900 14.697 5.392 26.175 -99.200 -91.000 HIS 50 0.900 0.396 5.400 12.974 -99.200 -91.000 TYR 52 0.840 4.675 0.207 19.961 -99.200 -91.000 PHE 77 1.000 15.901 9.740 23.835 -99.200 -91.000 TYR 78 0.840 6.970 9.633 22.439 -99.200 -91.000 TRP 83 1.040 3.235 -0.198 10.225 -99.200 -91.000 TRP6 83 1.020 4.623 -1.844 11.263 -99.200 -91.000 HIS 87 0.900 9.343 1.311 5.543 -99.200 -91.000 TYR 107 0.840 11.354 18.496 21.478 -99.200 -91.000 TYR 111 0.840 9.287 9.211 13.056 -99.200 -91.000 HIS 114 0.900 7.915 -0.501 14.936 -99.200 -91.000 PHE 115 1.000 10.010 -6.021 9.950 -99.200 -91.000 PHE 136 1.000 5.002 -8.604 2.233 -99.200 -91.000 TRP 145 1.040 19.206 7.706 7.169 -99.200 -91.000 TRP6 145 1.020 18.408 7.178 9.362 -99.200 -91.000 PHE 165 1.000 16.948 -0.592 9.093 -99.200 -91.000 TYR 181 0.840 21.428 14.932 10.175 -99.200 -91.000 HIS 191 0.900 15.583 -12.811 24.565 -99.200 -91.000 TYR 193 0.840 16.198 -18.314 27.875 -99.200 -91.000 PHE 194 1.000 18.343 -13.714 18.705 -99.200 -91.000 PHE 202 1.000 27.956 -3.464 11.404 -99.200 -91.000 TYR 213 0.840 12.382 -5.674 19.797 -99.200 -91.000 HIS 219 0.900 4.369 -8.871 22.774 -99.200 -91.000 TRP 224 1.040 1.590 -10.228 17.002 -99.200 -91.000 TRP6 224 1.020 2.260 -9.373 14.899 -99.200 -91.000 HIS 245 0.900 23.381 -10.820 42.666 -99.200 -91.000 TYR 256 0.840 23.457 -10.371 29.620 -99.200 -91.000 TYR 269 0.840 0.472 -0.913 29.509 -99.200 -91.000 PHE 281 1.000 19.438 3.219 36.182 -99.200 -91.000 PHE 283 1.000 20.710 -5.724 40.596 -99.200 -91.000 TYR 302 0.840 11.295 -15.246 24.053 -99.200 -91.000 PHE 308 1.000 5.093 -7.431 8.936 -99.200 -91.000 TYR 314 0.840 11.954 -12.063 8.045 -99.200 -91.000 PHE 316 1.000 14.212 -9.942 12.717 -99.200 -91.000 TYR 320 0.840 26.637 -10.242 12.350 -99.200 -91.000