============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 4 0.900 69.312 12.993 66.934 -99.200 -91.000 HIS 5 0.900 72.065 12.309 57.383 -99.200 -91.000 PHE 11 1.000 73.359 0.134 62.716 -99.200 -91.000 TYR 21 0.840 81.579 -3.833 63.301 -99.200 -91.000 HIS 22 0.900 79.817 -9.924 69.717 -99.200 -91.000 PHE 27 1.000 70.943 0.684 80.949 -99.200 -91.000 PHE 40 1.000 80.747 -2.249 74.049 -99.200 -91.000 PHE 60 1.000 54.736 -10.727 80.945 -99.200 -91.000 PHE 68 1.000 61.568 1.453 72.881 -99.200 -91.000 HIS 89 0.900 53.254 -4.637 69.092 -99.200 -91.000 TYR 91 0.840 55.635 0.226 71.410 -99.200 -91.000 PHE 123 1.000 39.747 -14.543 77.009 -99.200 -91.000 TYR 175 0.840 58.817 -10.014 57.313 -99.200 -91.000 PHE 191 1.000 78.253 -20.332 63.190 -99.200 -91.000 HIS 193 0.900 67.170 -22.474 63.025 -99.200 -91.000 HIS 200 0.900 68.202 -19.300 48.552 -99.200 -91.000 HIS 202 0.900 69.596 -9.275 48.213 -99.200 -91.000 TYR 210 0.840 67.710 -12.916 74.290 -99.200 -91.000 HIS 233 0.900 69.093 -5.865 76.232 -99.200 -91.000 TYR 236 0.840 68.088 -2.029 83.949 -99.200 -91.000 PHE 237 1.000 68.885 -8.947 83.224 -99.200 -91.000 TYR 244 0.840 69.276 -7.300 97.358 -99.200 -91.000 TYR 267 0.840 63.858 -7.020 94.134 -99.200 -91.000 PHE 269 1.000 56.609 -7.010 93.470 -99.200 -91.000 TYR 273 0.840 53.223 -7.319 85.861 -99.200 -91.000 TRP 276 1.040 46.917 -9.076 88.658 -99.200 -91.000 TRP6 276 1.020 48.404 -7.274 88.652 -99.200 -91.000 TYR 280 0.840 41.772 -10.043 86.438 -99.200 -91.000