============================================================================= 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 28 0.840 71.989 79.192 45.698 -99.200 -91.000 TYR 31 0.840 70.570 73.418 43.667 -99.200 -91.000 TRP 37 1.040 76.594 64.675 35.369 -99.200 -91.000 TRP6 37 1.020 75.617 63.030 36.752 -99.200 -91.000 TRP 47 1.040 68.202 59.137 34.943 -99.200 -91.000 TRP6 47 1.020 69.291 59.679 36.961 -99.200 -91.000 PHE 50 1.000 74.670 58.307 38.585 -99.200 -91.000 PHE 54 1.000 79.274 55.952 40.080 -99.200 -91.000 PHE 55 1.000 73.716 55.280 43.638 -99.200 -91.000 HIS 57 0.900 78.256 48.839 44.892 -99.200 -91.000 TYR 78 0.840 76.086 48.284 28.526 -99.200 -91.000 PHE 79 1.000 68.965 39.464 29.337 -99.200 -91.000 TYR 90 0.840 74.769 24.317 23.905 -99.200 -91.000 PHE 105 1.000 82.204 28.797 31.889 -99.200 -91.000 TRP 125 1.040 74.747 40.393 29.180 -99.200 -91.000 TRP6 125 1.020 73.510 39.211 30.812 -99.200 -91.000 TYR 133 0.840 78.755 44.101 27.155 -99.200 -91.000 PHE 135 1.000 70.781 43.380 19.900 -99.200 -91.000 TYR 143 0.840 69.638 38.790 18.548 -99.200 -91.000 PHE 145 1.000 82.052 37.646 21.337 -99.200 -91.000 PHE 157 1.000 77.343 25.536 30.413 -99.200 -91.000 TYR 167 0.840 81.612 48.842 28.768 -99.200 -91.000 TRP 184 1.040 85.969 58.824 42.072 -99.200 -91.000 TRP6 184 1.020 83.639 59.035 42.477 -99.200 -91.000 HIS 185 0.900 89.180 52.140 37.659 -99.200 -91.000 TRP 187 1.040 89.660 51.466 32.216 -99.200 -91.000 TRP6 187 1.020 89.673 50.336 30.138 -99.200 -91.000 HIS 191 0.900 81.977 42.262 32.692 -99.200 -91.000 HIS 193 0.900 77.314 41.077 32.367 -99.200 -91.000 TRP 194 1.040 77.857 32.984 33.179 -99.200 -91.000 TRP6 194 1.020 77.813 31.270 31.584 -99.200 -91.000 TYR 201 0.840 65.799 23.179 41.357 -99.200 -91.000 TYR 209 0.840 83.694 39.740 37.920 -99.200 -91.000 PHE 210 1.000 87.805 35.433 32.106 -99.200 -91.000 TRP 215 1.040 90.988 47.784 34.619 -99.200 -91.000 TRP6 215 1.020 91.888 49.781 35.525 -99.200 -91.000 HIS 239 0.900 92.076 25.489 23.282 -99.200 -91.000 PHE 240 1.000 94.616 31.700 27.541 -99.200 -91.000 TYR 244 0.840 81.455 29.251 38.865 -99.200 -91.000 PHE 246 1.000 77.463 28.985 36.300 -99.200 -91.000