============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 21 0.840 3.155 34.883 58.042 -99.200 -91.000 HIS 26 0.900 7.496 32.875 45.715 -99.200 -91.000 TYR 66 0.840 -25.061 50.236 40.332 -99.200 -91.000 TYR 80 0.840 -10.444 59.187 43.459 -99.200 -91.000 HIS 96 0.900 -10.128 57.168 27.332 -99.200 -91.000 PHE 104 1.000 -5.976 48.317 31.040 -99.200 -91.000 TYR 106 0.840 1.394 44.044 24.103 -99.200 -91.000 PHE 119 1.000 -2.395 41.074 35.948 -99.200 -91.000 HIS 123 0.900 -13.406 41.975 34.520 -99.200 -91.000 HIS 128 0.900 -10.766 35.639 29.413 -99.200 -91.000 HIS 131 0.900 -7.104 37.826 35.688 -99.200 -91.000 TYR 132 0.840 -1.424 32.197 36.243 -99.200 -91.000 TYR 136 0.840 8.166 37.515 45.906 -99.200 -91.000 TYR 143 0.840 5.498 50.405 39.052 -99.200 -91.000 TYR 149 0.840 -2.569 52.022 44.327 -99.200 -91.000 TYR 158 0.840 -13.668 60.871 43.506 -99.200 -91.000 TRP 166 1.040 -19.026 55.796 43.479 -99.200 -91.000 TRP6 166 1.020 -17.677 56.652 41.748 -99.200 -91.000 TYR 176 0.840 -4.267 48.137 61.855 -99.200 -91.000 TYR 178 0.840 -1.677 52.488 64.267 -99.200 -91.000 TYR 186 0.840 -16.643 35.736 47.825 -99.200 -91.000 TRP 216 1.040 -12.803 42.648 56.607 -99.200 -91.000 TRP6 216 1.020 -12.103 44.124 54.918 -99.200 -91.000 HIS 219 0.900 -4.688 41.987 54.759 -99.200 -91.000 PHE 221 1.000 -1.012 45.751 57.557 -99.200 -91.000 TYR 223 0.840 5.004 38.627 65.042 -99.200 -91.000 PHE 225 1.000 2.657 48.843 61.969 -99.200 -91.000 HIS 227 0.900 6.645 40.565 68.090 -99.200 -91.000 TYR 228 0.840 9.821 42.157 61.905 -99.200 -91.000 TYR 231 0.840 16.898 47.758 65.600 -99.200 -91.000 PHE 246 1.000 45.491 57.557 54.726 -99.200 -91.000 TYR 247 0.840 41.006 54.694 53.890 -99.200 -91.000 PHE 252 1.000 32.352 62.081 52.996 -99.200 -91.000 TYR 259 0.840 17.022 46.041 55.660 -99.200 -91.000 TRP 282 1.040 47.176 57.218 48.194 -99.200 -91.000 TRP6 282 1.020 45.248 56.035 48.868 -99.200 -91.000 HIS 295 0.900 32.592 47.524 48.117 -99.200 -91.000 PHE 298 1.000 18.757 39.549 58.288 -99.200 -91.000 TYR 309 0.840 31.019 59.350 48.106 -99.200 -91.000 TYR 310 0.840 40.913 60.601 52.333 -99.200 -91.000