============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 12 1.040 50.354 10.648 97.882 -99.200 -91.000 TRP6 12 1.020 48.384 10.937 99.145 -99.200 -91.000 TRP 14 1.040 45.968 10.572 93.062 -99.200 -91.000 TRP6 14 1.020 45.028 9.309 94.807 -99.200 -91.000 HIS 21 0.900 62.383 17.656 72.915 -99.200 -91.000 TYR 24 0.840 65.979 18.265 81.976 -99.200 -91.000 TRP 25 1.040 61.043 14.324 76.621 -99.200 -91.000 TRP6 25 1.020 59.353 15.386 75.372 -99.200 -91.000 HIS 27 0.900 57.053 18.431 87.652 -99.200 -91.000 PHE 28 1.000 54.265 21.387 81.467 -99.200 -91.000 HIS 35 0.900 38.721 6.800 81.266 -99.200 -91.000 TRP 38 1.040 39.834 11.143 78.692 -99.200 -91.000 TRP6 38 1.020 39.626 13.199 77.549 -99.200 -91.000 HIS 44 0.900 48.362 27.489 86.469 -99.200 -91.000 HIS 64 0.900 63.447 8.601 94.913 -99.200 -91.000 TYR 66 0.840 63.601 15.007 85.865 -99.200 -91.000 TYR 67 0.840 67.099 9.696 89.985 -99.200 -91.000 HIS 80 0.900 35.569 25.433 81.617 -99.200 -91.000 PHE 83 1.000 43.482 29.366 82.231 -99.200 -91.000 TYR 84 0.840 43.594 36.010 79.038 -99.200 -91.000 HIS 106 0.900 53.377 -0.086 93.682 -99.200 -91.000 HIS 108 0.900 45.021 2.844 92.542 -99.200 -91.000 PHE 119 1.000 35.723 17.651 98.679 -99.200 -91.000 TRP 126 1.040 46.604 13.900 103.430 -99.200 -91.000 TRP6 126 1.020 48.524 13.866 104.784 -99.200 -91.000 TRP 130 1.040 57.876 14.375 91.861 -99.200 -91.000 TRP6 130 1.020 55.926 13.678 90.740 -99.200 -91.000 PHE 141 1.000 65.452 16.132 90.603 -99.200 -91.000 HIS 154 0.900 31.472 32.945 101.738 -99.200 -91.000 TYR 160 0.840 44.661 35.243 98.594 -99.200 -91.000 HIS 161 0.900 39.434 41.426 99.611 -99.200 -91.000 TYR 165 0.840 47.682 50.081 98.098 -99.200 -91.000 TRP 203 1.040 43.194 8.343 99.819 -99.200 -91.000 TRP6 203 1.020 43.666 10.143 101.255 -99.200 -91.000 TRP 211 1.040 44.519 31.890 92.007 -99.200 -91.000 TRP6 211 1.020 44.599 33.952 93.156 -99.200 -91.000 TYR 224 0.840 45.147 23.882 96.816 -99.200 -91.000 TYR 229 0.840 31.719 26.975 89.387 -99.200 -91.000 TYR 230 0.840 35.276 24.952 86.672 -99.200 -91.000 TRP 233 1.040 34.681 21.756 80.304 -99.200 -91.000 TRP6 233 1.020 36.850 21.018 80.827 -99.200 -91.000 HIS 235 0.900 31.733 13.127 85.203 -99.200 -91.000 HIS 236 0.900 29.554 18.665 78.885 -99.200 -91.000 TYR 237 0.840 35.453 17.659 76.691 -99.200 -91.000