============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 27 0.840 81.873 46.597 27.177 -99.200 -91.000 PHE 44 1.000 68.324 42.517 51.721 -99.200 -91.000 PHE 51 1.000 75.550 50.994 43.185 -99.200 -91.000 HIS 66 0.900 58.265 42.820 40.358 -99.200 -91.000 HIS 80 0.900 60.357 58.197 48.678 -99.200 -91.000 PHE 82 1.000 49.688 58.707 45.389 -99.200 -91.000 TRP 83 1.040 51.697 60.668 49.525 -99.200 -91.000 TRP6 83 1.020 50.564 62.752 49.543 -99.200 -91.000 TYR 84 0.840 58.073 62.862 50.213 -99.200 -91.000 HIS 98 0.900 43.049 50.193 43.895 -99.200 -91.000 HIS 122 0.900 33.765 48.693 31.404 -99.200 -91.000 PHE 123 1.000 36.778 46.723 36.765 -99.200 -91.000 HIS 135 0.900 54.130 54.381 55.817 -99.200 -91.000 HIS 158 0.900 43.806 37.227 44.612 -99.200 -91.000 HIS 163 0.900 60.070 46.791 45.011 -99.200 -91.000 PHE 170 1.000 70.351 45.679 55.858 -99.200 -91.000 TYR 183 0.840 61.332 42.501 57.951 -99.200 -91.000 TYR 186 0.840 57.082 35.435 54.891 -99.200 -91.000 PHE 192 1.000 70.317 46.348 50.203 -99.200 -91.000 PHE 211 1.000 62.681 42.302 39.833 -99.200 -91.000 HIS 251 0.900 66.632 51.802 65.144 -99.200 -91.000 PHE 256 1.000 68.383 62.023 75.768 -99.200 -91.000 TYR 266 0.840 58.903 71.563 71.171 -99.200 -91.000 HIS 290 0.900 55.296 74.468 55.424 -99.200 -91.000 PHE 292 1.000 59.394 74.717 66.385 -99.200 -91.000 HIS 316 0.900 72.328 62.072 60.352 -99.200 -91.000 PHE 331 1.000 63.747 70.529 68.516 -99.200 -91.000 PHE 335 1.000 56.667 74.024 74.868 -99.200 -91.000 PHE 338 1.000 58.671 80.689 67.441 -99.200 -91.000