============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 1 1.000 17.611 48.776 179.481 -99.200 -91.000 PHE 3 1.000 10.504 49.978 176.069 -99.200 -91.000 HIS 12 0.900 -1.697 44.678 201.652 -99.200 -91.000 TRP 23 1.040 12.267 51.494 204.337 -99.200 -91.000 TRP6 23 1.020 11.495 49.806 202.869 -99.200 -91.000 PHE 25 1.000 8.867 56.829 203.872 -99.200 -91.000 TRP 28 1.040 -0.137 59.293 192.919 -99.200 -91.000 TRP6 28 1.020 2.044 58.775 192.185 -99.200 -91.000 TYR 31 0.840 -5.255 52.155 181.986 -99.200 -91.000 HIS 39 0.900 19.228 60.016 171.117 -99.200 -91.000 TYR 56 0.840 -1.858 55.404 177.165 -99.200 -91.000 HIS 69 0.900 18.869 64.020 177.904 -99.200 -91.000 HIS 70 0.900 17.613 54.993 174.143 -99.200 -91.000 PHE 88 1.000 -10.536 51.346 187.760 -99.200 -91.000 PHE 101 1.000 5.276 58.238 182.317 -99.200 -91.000 TRP 102 1.040 1.413 62.581 187.585 -99.200 -91.000 TRP6 102 1.020 0.235 62.684 189.633 -99.200 -91.000 PHE 104 1.000 6.221 54.785 189.344 -99.200 -91.000 TYR 108 0.840 19.754 53.013 177.721 -99.200 -91.000 TYR 119 0.840 14.024 55.119 194.910 -99.200 -91.000 PHE 149 1.000 -0.404 55.692 205.244 -99.200 -91.000 HIS 155 0.900 0.175 66.293 198.176 -99.200 -91.000 TRP 157 1.040 -1.825 62.403 195.981 -99.200 -91.000 TRP6 157 1.020 0.478 62.909 196.143 -99.200 -91.000 TYR 169 0.840 12.614 48.676 187.684 -99.200 -91.000 TRP 178 1.040 10.254 49.248 194.558 -99.200 -91.000 TRP6 178 1.020 9.248 49.896 192.522 -99.200 -91.000 HIS 183 0.900 -3.861 57.699 203.148 -99.200 -91.000 TRP 184 1.040 -10.446 55.638 204.232 -99.200 -91.000 TRP6 184 1.020 -10.832 55.615 206.575 -99.200 -91.000 TRP 194 1.040 -26.061 42.257 220.243 -99.200 -91.000 TRP6 194 1.020 -27.419 43.674 221.566 -99.200 -91.000 PHE 217 1.000 -12.519 41.652 220.325 -99.200 -91.000 HIS 240 0.900 -29.304 35.586 224.262 -99.200 -91.000 PHE 246 1.000 -15.569 37.145 219.850 -99.200 -91.000 TYR 260 0.840 -19.907 36.612 224.657 -99.200 -91.000 TYR 271 0.840 -8.291 46.945 207.923 -99.200 -91.000 TRP 274 1.040 -5.028 43.330 209.570 -99.200 -91.000 TRP6 274 1.020 -6.683 41.927 210.497 -99.200 -91.000 TRP 285 1.040 -22.400 48.222 209.222 -99.200 -91.000 TRP6 285 1.020 -22.042 46.107 210.195 -99.200 -91.000