============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 3 0.900 128.606 -9.110 24.539 -99.200 -91.000 PHE 11 1.000 129.354 -27.753 34.598 -99.200 -91.000 TYR 15 0.840 134.237 -24.868 31.371 -99.200 -91.000 HIS 17 0.900 129.665 -15.352 34.649 -99.200 -91.000 PHE 31 1.000 136.246 -4.591 46.568 -99.200 -91.000 TRP 62 1.040 115.359 -20.573 43.640 -99.200 -91.000 TRP6 62 1.020 116.206 -19.917 45.752 -99.200 -91.000 TYR 65 0.840 118.022 -19.148 38.617 -99.200 -91.000 TYR 66 0.840 124.763 -25.878 43.909 -99.200 -91.000 PHE 92 1.000 130.025 -14.860 53.529 -99.200 -91.000 TYR 94 0.840 121.326 -8.824 58.426 -99.200 -91.000 TYR 107 0.840 108.752 3.060 33.521 -99.200 -91.000 TRP 120 1.040 125.481 -0.927 41.813 -99.200 -91.000 TRP6 120 1.020 127.669 -1.832 41.720 -99.200 -91.000 PHE 122 1.000 130.429 -2.046 46.675 -99.200 -91.000 PHE 123 1.000 134.070 0.196 49.251 -99.200 -91.000 PHE 145 1.000 123.434 -10.831 33.813 -99.200 -91.000 PHE 157 1.000 118.033 -4.445 26.822 -99.200 -91.000 TYR 166 0.840 120.559 -4.683 44.338 -99.200 -91.000 HIS 170 0.900 121.182 0.081 53.162 -99.200 -91.000 HIS 182 0.900 122.916 -9.215 43.538 -99.200 -91.000 TYR 198 0.840 103.898 -8.364 42.750 -99.200 -91.000 PHE 212 1.000 113.208 0.089 44.150 -99.200 -91.000 HIS 219 0.900 100.631 -2.099 29.470 -99.200 -91.000 PHE 222 1.000 107.154 -5.156 39.624 -99.200 -91.000 PHE 226 1.000 113.664 -7.310 47.999 -99.200 -91.000 HIS 244 0.900 113.717 2.978 46.321 -99.200 -91.000 HIS 247 0.900 115.068 7.702 51.062 -99.200 -91.000 HIS 252 0.900 108.477 -1.383 53.633 -99.200 -91.000 TRP 266 1.040 115.389 10.519 53.548 -99.200 -91.000 TRP6 266 1.020 116.811 9.052 54.753 -99.200 -91.000 HIS 269 0.900 112.624 10.126 46.288 -99.200 -91.000 PHE 274 1.000 114.676 21.599 40.907 -99.200 -91.000 PHE 279 1.000 112.928 13.815 31.018 -99.200 -91.000 PHE 286 1.000 115.695 8.815 31.726 -99.200 -91.000 TRP 290 1.040 120.245 8.888 34.268 -99.200 -91.000 TRP6 290 1.020 119.302 7.987 36.251 -99.200 -91.000 TYR 296 0.840 132.414 16.321 43.317 -99.200 -91.000 PHE 298 1.000 129.069 13.098 50.782 -99.200 -91.000 TYR 304 0.840 138.649 7.861 46.397 -99.200 -91.000 PHE 315 1.000 126.010 -0.584 36.143 -99.200 -91.000 TYR 319 0.840 117.402 -1.014 31.442 -99.200 -91.000 HIS 321 0.900 111.465 0.202 29.107 -99.200 -91.000 PHE 340 1.000 128.629 -1.328 26.689 -99.200 -91.000 PHE 344 1.000 117.944 -8.413 24.100 -99.200 -91.000