============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 21 1.000 15.247 88.590 143.740 -99.200 -91.000 HIS 28 0.900 15.232 84.739 132.599 -99.200 -91.000 TYR 29 0.840 10.392 84.858 132.984 -99.200 -91.000 PHE 36 1.000 6.255 93.135 136.113 -99.200 -91.000 TYR 48 0.840 3.413 89.193 133.302 -99.200 -91.000 TYR 60 0.840 3.506 83.943 161.457 -99.200 -91.000 PHE 63 1.000 3.566 73.595 162.733 -99.200 -91.000 PHE 95 1.000 4.213 80.434 146.730 -99.200 -91.000 PHE 96 1.000 11.762 81.239 151.307 -99.200 -91.000 PHE 103 1.000 2.683 84.851 143.213 -99.200 -91.000 TYR 112 0.840 -9.070 85.994 149.665 -99.200 -91.000 PHE 113 1.000 -2.338 88.781 141.952 -99.200 -91.000 TYR 123 0.840 17.370 77.984 139.401 -99.200 -91.000 PHE 137 1.000 43.006 79.704 138.794 -99.200 -91.000 TYR 155 0.840 35.295 72.557 165.302 -99.200 -91.000 PHE 156 1.000 34.102 72.671 173.888 -99.200 -91.000 PHE 161 1.000 34.705 72.479 179.288 -99.200 -91.000 PHE 169 1.000 39.909 67.172 160.598 -99.200 -91.000 HIS 180 0.900 46.044 71.160 147.094 -99.200 -91.000 PHE 185 1.000 31.593 76.942 157.186 -99.200 -91.000 PHE 188 1.000 36.164 77.967 165.349 -99.200 -91.000 HIS 193 0.900 29.535 72.936 176.406 -99.200 -91.000 PHE 204 1.000 39.402 73.761 181.528 -99.200 -91.000 PHE 207 1.000 43.994 74.903 179.647 -99.200 -91.000 PHE 218 1.000 39.842 80.103 169.855 -99.200 -91.000 PHE 222 1.000 38.381 75.153 170.078 -99.200 -91.000 HIS 232 0.900 54.344 72.999 153.705 -99.200 -91.000 HIS 248 0.900 31.970 92.764 165.386 -99.200 -91.000 TYR 251 0.840 23.970 85.618 157.759 -99.200 -91.000 PHE 268 1.000 45.493 78.579 161.873 -99.200 -91.000 PHE 277 1.000 36.262 81.023 150.749 -99.200 -91.000 TYR 283 0.840 33.925 83.023 141.427 -99.200 -91.000 PHE 284 1.000 35.337 76.272 147.954 -99.200 -91.000 PHE 292 1.000 20.462 73.533 152.629 -99.200 -91.000 TYR 308 0.840 16.052 62.808 147.442 -99.200 -91.000 HIS 316 0.900 11.905 78.075 147.733 -99.200 -91.000 TYR 323 0.840 25.623 82.772 150.201 -99.200 -91.000 TYR 324 0.840 18.182 82.429 157.999 -99.200 -91.000 PHE 327 1.000 12.174 90.224 157.914 -99.200 -91.000 HIS 334 0.900 15.983 85.146 171.842 -99.200 -91.000 TYR 344 0.840 25.027 97.105 158.334 -99.200 -91.000 PHE 350 1.000 23.638 83.374 145.866 -99.200 -91.000 PHE 354 1.000 29.855 86.632 138.419 -99.200 -91.000 HIS 367 0.900 26.795 62.742 156.792 -99.200 -91.000 PHE 368 1.000 22.712 69.030 152.794 -99.200 -91.000 PHE 383 1.000 36.082 67.223 164.470 -99.200 -91.000 TYR 393 0.840 36.811 64.650 157.775 -99.200 -91.000 TYR 418 0.840 37.711 77.830 127.874 -99.200 -91.000 HIS 420 0.900 35.072 78.748 137.290 -99.200 -91.000 TRP 423 1.040 28.073 70.940 137.029 -99.200 -91.000 TRP6 423 1.020 27.306 69.235 135.609 -99.200 -91.000