============================================================================= 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. PHE 2 1.000 44.580 43.095 78.763 -99.200 -91.000 PHE 19 1.000 57.487 47.481 107.526 -99.200 -91.000 TRP 27 1.040 51.756 38.145 110.119 -99.200 -91.000 TRP6 27 1.020 49.685 37.372 110.978 -99.200 -91.000 HIS 29 0.900 55.659 33.366 115.208 -99.200 -91.000 PHE 35 1.000 62.791 31.353 119.956 -99.200 -91.000 PHE 36 1.000 61.597 31.543 112.225 -99.200 -91.000 HIS 46 0.900 61.355 50.582 118.747 -99.200 -91.000 PHE 56 1.000 51.415 43.106 124.604 -99.200 -91.000 PHE 61 1.000 58.649 37.256 117.324 -99.200 -91.000 HIS 78 0.900 81.118 32.847 116.624 -99.200 -91.000 PHE 99 1.000 64.436 28.215 110.710 -99.200 -91.000 HIS 124 0.900 71.931 22.762 121.697 -99.200 -91.000 HIS 127 0.900 64.368 17.703 121.150 -99.200 -91.000 TYR 131 0.840 67.424 24.284 109.391 -99.200 -91.000 TYR 133 0.840 66.344 33.192 107.939 -99.200 -91.000 PHE 142 1.000 56.513 42.762 104.449 -99.200 -91.000 PHE 209 1.000 60.831 24.547 92.343 -99.200 -91.000 PHE 215 1.000 56.898 36.353 99.356 -99.200 -91.000 PHE 235 1.000 53.957 34.083 91.528 -99.200 -91.000 PHE 237 1.000 48.136 36.900 94.844 -99.200 -91.000 TRP 245 1.040 49.845 28.626 91.310 -99.200 -91.000 TRP6 245 1.020 49.409 26.789 92.733 -99.200 -91.000 TYR 253 0.840 52.331 16.411 88.699 -99.200 -91.000 PHE 260 1.000 41.994 23.379 85.071 -99.200 -91.000 HIS 278 0.900 34.138 43.597 96.659 -99.200 -91.000 PHE 288 1.000 52.628 55.537 92.185 -99.200 -91.000 PHE 289 1.000 54.634 55.177 96.810 -99.200 -91.000 PHE 301 1.000 41.910 40.340 91.894 -99.200 -91.000 PHE 316 1.000 65.187 40.180 92.774 -99.200 -91.000 HIS 318 0.900 63.831 35.123 89.160 -99.200 -91.000 HIS 347 0.900 51.078 59.344 95.033 -99.200 -91.000 HIS 370 0.900 47.694 62.169 96.419 -99.200 -91.000 TRP 374 1.040 46.486 48.804 106.173 -99.200 -91.000 TRP6 374 1.020 47.635 47.229 107.523 -99.200 -91.000 PHE 380 1.000 48.151 41.394 108.418 -99.200 -91.000 HIS 384 0.900 48.403 33.868 98.035 -99.200 -91.000 PHE 385 1.000 45.444 28.373 95.752 -99.200 -91.000 TYR 386 0.840 39.392 28.808 91.445 -99.200 -91.000 PHE 396 1.000 43.878 45.795 96.425 -99.200 -91.000