============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 4 0.840 108.040 35.081 200.033 -99.200 -91.000 HIS 13 0.900 94.706 38.438 197.457 -99.200 -91.000 PHE 14 1.000 100.044 33.321 193.881 -99.200 -91.000 PHE 20 1.000 107.481 33.241 214.836 -99.200 -91.000 TYR 23 0.840 98.669 30.642 223.196 -99.200 -91.000 PHE 45 1.000 109.400 31.130 210.347 -99.200 -91.000 HIS 46 0.900 109.388 36.507 203.006 -99.200 -91.000 HIS 47 0.900 101.286 32.028 206.878 -99.200 -91.000 HIS 52 0.900 90.394 40.607 220.498 -99.200 -91.000 TYR 54 0.840 96.725 33.298 218.980 -99.200 -91.000 PHE 79 1.000 98.768 35.151 203.774 -99.200 -91.000 TYR 80 0.840 98.759 39.948 211.495 -99.200 -91.000 TRP 85 1.040 87.434 34.605 221.517 -99.200 -91.000 TRP6 85 1.020 88.239 32.440 220.989 -99.200 -91.000 HIS 89 0.900 81.798 33.161 216.205 -99.200 -91.000 TYR 109 0.840 97.099 44.854 203.295 -99.200 -91.000 TYR 113 0.840 89.161 39.099 211.044 -99.200 -91.000 HIS 116 0.900 91.367 31.442 217.087 -99.200 -91.000 PHE 117 1.000 86.221 26.067 218.995 -99.200 -91.000 PHE 138 1.000 79.079 27.200 225.553 -99.200 -91.000 TRP 147 1.040 81.811 33.014 204.319 -99.200 -91.000 TRP6 147 1.020 84.063 32.736 205.011 -99.200 -91.000 PHE 167 1.000 84.041 27.097 210.401 -99.200 -91.000 HIS 169 0.900 81.899 16.565 205.176 -99.200 -91.000 TYR 183 0.840 84.619 37.561 197.817 -99.200 -91.000 HIS 193 0.900 99.502 16.226 216.022 -99.200 -91.000 TYR 195 0.840 102.625 10.916 218.088 -99.200 -91.000 PHE 196 1.000 93.219 14.404 215.085 -99.200 -91.000 PHE 204 1.000 84.703 18.730 202.337 -99.200 -91.000 TYR 215 0.840 95.427 24.484 215.719 -99.200 -91.000 HIS 221 0.900 99.459 25.538 223.711 -99.200 -91.000 TRP 226 1.040 94.813 26.724 227.034 -99.200 -91.000 TRP6 226 1.020 92.482 27.090 227.207 -99.200 -91.000 HIS 247 0.900 116.208 12.811 205.264 -99.200 -91.000 TYR 258 0.840 103.256 13.616 207.459 -99.200 -91.000 TYR 271 0.840 107.234 33.852 221.682 -99.200 -91.000 PHE 283 1.000 110.471 26.627 202.799 -99.200 -91.000 PHE 285 1.000 114.511 18.231 205.621 -99.200 -91.000 TYR 304 0.840 99.633 16.440 220.992 -99.200 -91.000 PHE 310 1.000 85.525 27.810 224.055 -99.200 -91.000 TYR 316 0.840 83.675 20.234 220.988 -99.200 -91.000 PHE 318 1.000 88.145 20.419 217.653 -99.200 -91.000 TYR 322 0.840 85.300 13.556 207.022 -99.200 -91.000