============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 7 1.000 23.485 14.633 67.246 -99.200 -91.000 PHE 11 1.000 21.266 19.188 69.905 -99.200 -91.000 PHE 19 1.000 26.370 18.904 70.468 -99.200 -91.000 PHE 22 1.000 26.218 9.322 74.311 -99.200 -91.000 HIS 32 0.900 43.132 -2.769 52.988 -99.200 -91.000 PHE 64 1.000 31.423 14.870 60.265 -99.200 -91.000 PHE 80 1.000 48.859 6.706 57.012 -99.200 -91.000 TYR 87 0.840 47.083 16.981 57.895 -99.200 -91.000 TYR 88 0.840 41.481 11.200 60.930 -99.200 -91.000 TYR 101 0.840 41.974 5.970 72.303 -99.200 -91.000 TYR 132 0.840 45.238 20.118 47.141 -99.200 -91.000 PHE 136 1.000 44.909 20.405 41.736 -99.200 -91.000 PHE 139 1.000 35.982 25.600 39.555 -99.200 -91.000 TYR 173 0.840 49.145 22.630 42.556 -99.200 -91.000 TRP 189 1.040 41.419 34.813 56.664 -99.200 -91.000 TRP6 189 1.020 43.043 34.053 58.239 -99.200 -91.000 HIS 201 0.900 30.659 39.393 49.763 -99.200 -91.000 PHE 209 1.000 34.776 40.098 37.311 -99.200 -91.000 TYR 219 0.840 39.006 27.083 35.924 -99.200 -91.000 PHE 221 1.000 35.422 27.761 45.461 -99.200 -91.000 PHE 224 1.000 26.459 32.412 54.334 -99.200 -91.000 TYR 229 0.840 26.488 36.602 46.501 -99.200 -91.000 TYR 230 0.840 21.935 29.732 38.859 -99.200 -91.000 HIS 242 0.900 33.020 23.183 35.985 -99.200 -91.000 PHE 249 1.000 21.916 26.671 44.116 -99.200 -91.000 PHE 265 1.000 25.617 24.676 40.061 -99.200 -91.000 HIS 267 0.900 25.183 21.289 45.563 -99.200 -91.000 PHE 269 1.000 28.313 15.299 50.257 -99.200 -91.000 PHE 271 1.000 32.277 14.770 54.623 -99.200 -91.000 HIS 284 0.900 38.508 12.501 50.025 -99.200 -91.000 HIS 285 0.900 48.206 9.176 50.984 -99.200 -91.000 TYR 287 0.840 42.932 15.756 45.767 -99.200 -91.000 TYR 300 0.840 49.139 24.714 49.914 -99.200 -91.000 TYR 317 0.840 24.617 25.069 73.005 -99.200 -91.000 HIS 320 0.900 27.695 21.623 66.466 -99.200 -91.000