============================================================================= 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. PHE 23 1.000 56.316 28.188 13.166 -99.200 -91.000 PHE 35 1.000 34.895 32.991 -5.538 -99.200 -91.000 TRP 36 1.040 33.589 42.020 -9.750 -99.200 -91.000 TRP6 36 1.020 32.757 43.575 -8.185 -99.200 -91.000 TYR 38 0.840 31.897 38.677 -14.296 -99.200 -91.000 TRP 48 1.040 36.367 42.822 -5.301 -99.200 -91.000 TRP6 48 1.020 37.627 41.284 -6.585 -99.200 -91.000 HIS 51 0.900 37.303 30.597 -3.493 -99.200 -91.000 TRP 54 1.040 41.536 28.747 0.158 -99.200 -91.000 TRP6 54 1.020 41.947 29.357 -2.089 -99.200 -91.000 TYR 62 0.840 46.373 23.198 -2.882 -99.200 -91.000 TYR 65 0.840 38.593 17.932 0.469 -99.200 -91.000 TYR 72 0.840 32.382 18.598 11.955 -99.200 -91.000 TYR 90 0.840 30.283 39.980 7.232 -99.200 -91.000 TYR 94 0.840 29.302 42.059 3.375 -99.200 -91.000 TRP 95 1.040 32.357 32.179 2.569 -99.200 -91.000 TRP6 95 1.020 33.674 31.728 4.496 -99.200 -91.000 TYR 98 0.840 28.355 30.108 -8.908 -99.200 -91.000 PHE 107 1.000 31.836 29.147 -1.363 -99.200 -91.000 TRP 108 1.040 29.070 29.384 3.877 -99.200 -91.000 TRP6 108 1.020 26.958 29.860 4.806 -99.200 -91.000 HIS 110 0.900 35.302 22.868 -1.646 -99.200 -91.000 TRP 112 1.040 35.495 22.350 8.977 -99.200 -91.000 TRP6 112 1.020 37.119 23.413 10.321 -99.200 -91.000 HIS 115 0.900 41.214 25.266 0.879 -99.200 -91.000 TYR 127 0.840 39.560 25.906 20.276 -99.200 -91.000 TYR 130 0.840 36.828 21.128 20.883 -99.200 -91.000 TYR 131 0.840 31.787 25.441 22.070 -99.200 -91.000 PHE 139 1.000 37.779 28.218 8.303 -99.200 -91.000 PHE 140 1.000 32.733 28.381 8.288 -99.200 -91.000 PHE 147 1.000 35.228 40.001 2.777 -99.200 -91.000 TYR 153 0.840 33.504 48.928 -5.426 -99.200 -91.000 TYR 169 0.840 39.513 49.758 -14.689 -99.200 -91.000 HIS 182 0.900 48.428 41.435 1.964 -99.200 -91.000 TYR 185 0.840 55.141 41.851 1.157 -99.200 -91.000 TYR 188 0.840 46.021 34.355 -8.702 -99.200 -91.000 TYR 200 0.840 44.159 32.615 -5.089 -99.200 -91.000 TYR 201 0.840 43.759 41.148 -0.664 -99.200 -91.000 TYR 202 0.840 49.548 34.042 -1.744 -99.200 -91.000 PHE 203 1.000 46.990 38.604 5.471 -99.200 -91.000 TYR 214 0.840 45.738 35.515 10.162 -99.200 -91.000 TYR 232 0.840 36.287 46.155 -10.528 -99.200 -91.000 TYR 236 0.840 23.534 42.472 -7.874 -99.200 -91.000