============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TRP 5 1.040 36.455 40.146 52.232 -99.200 -91.000 TRP6 5 1.020 37.797 39.208 53.930 -99.200 -91.000 HIS 11 0.900 37.618 45.703 37.691 -99.200 -91.000 PHE 19 1.000 38.114 33.851 49.969 -99.200 -91.000 HIS 22 0.900 37.852 28.499 42.413 -99.200 -91.000 TYR 42 0.840 38.157 53.922 52.434 -99.200 -91.000 TYR 65 0.840 44.350 57.419 63.391 -99.200 -91.000 TYR 68 0.840 41.091 54.427 67.255 -99.200 -91.000 PHE 81 1.000 53.278 36.131 55.598 -99.200 -91.000 TYR 82 0.840 52.620 43.348 52.591 -99.200 -91.000 PHE 91 1.000 59.330 45.952 57.000 -99.200 -91.000 TYR 92 0.840 52.863 49.020 52.552 -99.200 -91.000 TYR 93 0.840 61.510 49.244 52.911 -99.200 -91.000 PHE 104 1.000 60.082 65.617 39.048 -99.200 -91.000 HIS 116 0.900 48.896 62.311 45.620 -99.200 -91.000 TRP 125 1.040 46.548 62.263 51.820 -99.200 -91.000 TRP6 125 1.020 46.211 63.775 50.034 -99.200 -91.000 TYR 133 0.840 50.777 70.539 57.110 -99.200 -91.000 PHE 150 1.000 54.123 71.222 46.704 -99.200 -91.000 PHE 151 1.000 52.000 67.421 44.331 -99.200 -91.000 PHE 164 1.000 38.901 69.616 48.927 -99.200 -91.000 TYR 182 0.840 45.254 57.081 35.079 -99.200 -91.000 PHE 183 1.000 41.194 52.460 44.669 -99.200 -91.000 TYR 185 0.840 49.998 49.846 47.222 -99.200 -91.000 PHE 189 1.000 54.522 51.946 36.966 -99.200 -91.000 PHE 201 1.000 54.087 61.459 45.897 -99.200 -91.000 HIS 204 0.900 58.663 47.132 49.050 -99.200 -91.000 PHE 208 1.000 61.260 45.971 41.364 -99.200 -91.000 TYR 220 0.840 58.700 54.053 34.520 -99.200 -91.000 TYR 235 0.840 62.943 47.845 47.580 -99.200 -91.000 HIS 239 0.900 63.103 53.567 53.005 -99.200 -91.000 HIS 246 0.900 47.175 47.653 52.344 -99.200 -91.000 TRP 261 1.040 43.707 32.490 62.672 -99.200 -91.000 TRP6 261 1.020 45.464 33.215 61.263 -99.200 -91.000 HIS 270 0.900 42.054 24.051 51.200 -99.200 -91.000 PHE 271 1.000 41.329 27.758 47.107 -99.200 -91.000 PHE 279 1.000 40.200 32.483 44.476 -99.200 -91.000 PHE 282 1.000 47.698 36.184 49.650 -99.200 -91.000 HIS 286 0.900 38.045 38.000 37.134 -99.200 -91.000 PHE 292 1.000 42.322 38.762 51.152 -99.200 -91.000 HIS 297 0.900 55.288 36.501 49.030 -99.200 -91.000 PHE 299 1.000 45.358 36.473 54.418 -99.200 -91.000 TYR 311 0.840 48.377 46.259 62.543 -99.200 -91.000 TYR 314 0.840 54.030 57.843 70.317 -99.200 -91.000 TYR 316 0.840 50.844 54.857 59.308 -99.200 -91.000