============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 14 0.900 58.475 -5.155 76.432 -99.200 -91.000 TYR 22 0.840 47.796 -2.650 85.535 -99.200 -91.000 HIS 24 0.900 44.474 -11.551 81.519 -99.200 -91.000 HIS 34 0.900 55.728 -2.754 93.475 -99.200 -91.000 PHE 37 1.000 52.431 1.370 86.941 -99.200 -91.000 TRP 46 1.040 43.401 10.829 85.276 -99.200 -91.000 TRP6 46 1.020 45.216 9.836 86.427 -99.200 -91.000 HIS 65 0.900 49.349 4.978 97.724 -99.200 -91.000 TRP 68 1.040 48.203 1.627 102.278 -99.200 -91.000 TRP6 68 1.020 48.471 3.850 101.498 -99.200 -91.000 PHE 73 1.000 38.679 -1.633 95.920 -99.200 -91.000 TRP 76 1.040 39.283 -5.385 90.842 -99.200 -91.000 TRP6 76 1.020 37.149 -4.489 91.198 -99.200 -91.000 TRP 78 1.040 41.667 -5.408 86.618 -99.200 -91.000 TRP6 78 1.020 40.382 -3.497 86.951 -99.200 -91.000 PHE 84 1.000 39.380 -1.638 72.141 -99.200 -91.000 TRP 91 1.040 47.503 6.410 75.114 -99.200 -91.000 TRP6 91 1.020 47.703 8.753 74.984 -99.200 -91.000 PHE 92 1.000 49.467 -1.315 73.747 -99.200 -91.000 TRP 93 1.040 43.016 4.674 74.965 -99.200 -91.000 TRP6 93 1.020 42.217 5.973 76.741 -99.200 -91.000 PHE 104 1.000 36.588 1.987 99.575 -99.200 -91.000 TYR 107 0.840 31.711 4.775 103.140 -99.200 -91.000 TYR 112 0.840 33.599 -0.673 92.432 -99.200 -91.000 HIS 115 0.900 32.526 -0.158 80.458 -99.200 -91.000 PHE 116 1.000 36.314 -0.864 86.800 -99.200 -91.000 HIS 118 0.900 41.919 -0.049 83.951 -99.200 -91.000 PHE 120 1.000 47.061 -0.360 81.273 -99.200 -91.000 PHE 122 1.000 53.100 -0.141 78.137 -99.200 -91.000 PHE 133 1.000 40.195 7.987 82.060 -99.200 -91.000 PHE 140 1.000 29.215 8.336 94.495 -99.200 -91.000