============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 14 1.000 1.840 34.246 3.579 -99.200 -91.000 TYR 18 0.840 2.974 39.520 6.828 -99.200 -91.000 HIS 20 0.900 3.061 45.477 -2.597 -99.200 -91.000 PHE 37 1.000 -1.912 38.589 -5.405 -99.200 -91.000 HIS 39 0.900 -6.852 29.702 -10.639 -99.200 -91.000 PHE 53 1.000 -2.308 37.582 3.465 -99.200 -91.000 HIS 68 0.900 5.237 30.093 12.677 -99.200 -91.000 TRP 87 1.040 22.770 32.054 -12.024 -99.200 -91.000 TRP6 87 1.020 23.468 30.040 -10.997 -99.200 -91.000 PHE 90 1.000 25.041 46.315 -11.545 -99.200 -91.000 PHE 99 1.000 22.347 49.133 -6.560 -99.200 -91.000 PHE 101 1.000 21.623 54.188 -2.078 -99.200 -91.000 TYR 106 0.840 21.984 67.831 3.362 -99.200 -91.000 PHE 109 1.000 18.585 69.520 -1.718 -99.200 -91.000 HIS 121 0.900 19.171 60.138 -19.850 -99.200 -91.000 PHE 149 1.000 25.843 51.096 -1.415 -99.200 -91.000 TYR 153 0.840 27.333 65.322 9.224 -99.200 -91.000 HIS 157 0.900 38.224 63.927 15.994 -99.200 -91.000 HIS 167 0.900 34.235 53.895 -0.974 -99.200 -91.000 TRP 169 1.040 27.870 60.659 -0.836 -99.200 -91.000 TRP6 169 1.020 26.103 62.206 -1.193 -99.200 -91.000 PHE 170 1.000 27.622 68.590 -1.483 -99.200 -91.000 TYR 174 0.840 25.573 71.678 9.684 -99.200 -91.000 HIS 182 0.900 15.341 87.724 12.984 -99.200 -91.000 TYR 194 0.840 23.581 80.519 16.659 -99.200 -91.000 HIS 199 0.900 19.127 79.409 17.932 -99.200 -91.000 TRP 205 1.040 18.914 58.822 11.789 -99.200 -91.000 TRP6 205 1.020 20.679 60.206 11.107 -99.200 -91.000 PHE 237 1.000 9.533 75.789 1.888 -99.200 -91.000 PHE 244 1.000 10.793 79.945 16.181 -99.200 -91.000 HIS 251 0.900 23.664 70.898 -2.678 -99.200 -91.000 TYR 265 0.840 22.496 86.454 7.680 -99.200 -91.000 PHE 269 1.000 28.013 78.411 16.527 -99.200 -91.000 TYR 274 0.840 27.725 68.645 5.662 -99.200 -91.000 TYR 279 0.840 28.702 56.352 6.634 -99.200 -91.000 HIS 281 0.900 29.294 43.810 6.828 -99.200 -91.000 HIS 287 0.900 26.266 46.489 -1.874 -99.200 -91.000 TRP 289 1.040 27.342 50.600 -11.970 -99.200 -91.000 TRP6 289 1.020 25.170 51.321 -11.438 -99.200 -91.000