============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 21 1.000 18.992 62.414 29.011 -99.200 -91.000 HIS 23 0.900 14.483 53.201 21.818 -99.200 -91.000 HIS 25 0.900 9.895 54.411 25.263 -99.200 -91.000 PHE 38 1.000 16.241 48.495 19.209 -99.200 -91.000 HIS 57 0.900 43.047 49.842 28.752 -99.200 -91.000 PHE 61 1.000 27.215 45.065 24.234 -99.200 -91.000 HIS 73 0.900 5.429 48.393 22.932 -99.200 -91.000 TYR 77 0.840 9.333 38.016 15.503 -99.200 -91.000 HIS 92 0.900 34.559 42.922 22.458 -99.200 -91.000 PHE 96 1.000 19.935 41.328 22.843 -99.200 -91.000 HIS 97 0.900 20.759 38.012 31.736 -99.200 -91.000 PHE 121 1.000 15.945 39.199 21.692 -99.200 -91.000 PHE 129 1.000 13.410 40.050 30.090 -99.200 -91.000 TYR 131 0.840 22.476 45.387 26.052 -99.200 -91.000 HIS 132 0.900 26.028 38.818 30.314 -99.200 -91.000 TRP 141 1.040 39.136 41.518 31.895 -99.200 -91.000 TRP6 141 1.020 39.989 41.501 29.690 -99.200 -91.000 HIS 160 0.900 -2.378 47.637 32.237 -99.200 -91.000 TYR 169 0.840 7.302 55.089 30.972 -99.200 -91.000 TYR 173 0.840 15.511 60.721 33.864 -99.200 -91.000 TYR 174 0.840 20.020 51.112 31.492 -99.200 -91.000 PHE 180 1.000 34.074 50.236 35.839 -99.200 -91.000 TYR 181 0.840 35.105 43.591 40.812 -99.200 -91.000 TYR 190 0.840 42.128 52.769 42.707 -99.200 -91.000 TYR 193 0.840 47.079 47.604 34.162 -99.200 -91.000 TYR 200 0.840 42.237 37.707 31.983 -99.200 -91.000 HIS 214 0.900 37.150 52.853 41.475 -99.200 -91.000 PHE 217 1.000 23.853 54.430 40.858 -99.200 -91.000 HIS 242 0.900 19.926 50.672 39.861 -99.200 -91.000 HIS 252 0.900 16.082 55.005 50.210 -99.200 -91.000 HIS 257 0.900 8.371 56.878 50.287 -99.200 -91.000 TYR 260 0.840 1.876 51.539 41.636 -99.200 -91.000 TRP 262 1.040 6.306 45.859 37.542 -99.200 -91.000 TRP6 262 1.020 5.993 48.187 37.191 -99.200 -91.000 PHE 267 1.000 7.672 45.791 32.771 -99.200 -91.000 TRP 278 1.040 14.033 49.605 43.761 -99.200 -91.000 TRP6 278 1.020 13.421 51.728 44.631 -99.200 -91.000 PHE 279 1.000 19.047 41.993 46.704 -99.200 -91.000 PHE 289 1.000 4.384 54.983 37.425 -99.200 -91.000 TYR 290 0.840 8.342 59.099 44.427 -99.200 -91.000 PHE 292 1.000 10.723 62.538 41.580 -99.200 -91.000 TYR 298 0.840 13.106 63.984 45.630 -99.200 -91.000 TYR 300 0.840 17.948 55.332 41.719 -99.200 -91.000 HIS 303 0.900 20.016 53.221 52.445 -99.200 -91.000 PHE 309 1.000 25.779 58.940 50.116 -99.200 -91.000 HIS 316 0.900 23.406 64.595 43.675 -99.200 -91.000 PHE 317 1.000 15.604 61.023 39.542 -99.200 -91.000 TRP 323 1.040 7.823 71.951 51.627 -99.200 -91.000 TRP6 323 1.020 9.440 70.244 51.337 -99.200 -91.000