============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 4 1.000 33.502 44.024 26.482 -99.200 -91.000 PHE 8 1.000 34.685 44.707 16.409 -99.200 -91.000 TYR 17 0.840 36.180 49.212 13.570 -99.200 -91.000 PHE 20 1.000 32.157 47.161 20.866 -99.200 -91.000 PHE 30 1.000 36.599 50.537 34.878 -99.200 -91.000 PHE 34 1.000 52.687 45.262 30.843 -99.200 -91.000 HIS 74 0.900 47.149 34.801 12.875 -99.200 -91.000 PHE 76 1.000 54.614 41.044 11.181 -99.200 -91.000 PHE 83 1.000 61.326 40.508 4.451 -99.200 -91.000 PHE 89 1.000 59.519 39.627 9.692 -99.200 -91.000 TYR 97 0.840 46.649 42.464 21.432 -99.200 -91.000 HIS 134 0.900 48.837 45.719 7.080 -99.200 -91.000 HIS 142 0.900 57.430 57.555 14.869 -99.200 -91.000 PHE 146 1.000 60.897 59.912 20.679 -99.200 -91.000 HIS 152 0.900 64.759 50.725 26.112 -99.200 -91.000 TYR 165 0.840 45.109 54.954 5.787 -99.200 -91.000 HIS 169 0.900 45.246 60.540 4.867 -99.200 -91.000 TRP 176 1.040 37.315 53.294 2.403 -99.200 -91.000 TRP6 176 1.020 39.578 53.364 1.680 -99.200 -91.000 PHE 185 1.000 33.302 40.429 13.978 -99.200 -91.000 TYR 203 0.840 48.742 47.723 22.924 -99.200 -91.000 PHE 206 1.000 47.975 52.280 25.895 -99.200 -91.000 TRP 231 1.040 38.690 58.685 -1.254 -99.200 -91.000 TRP6 231 1.020 38.797 59.182 1.052 -99.200 -91.000 TRP 238 1.040 42.459 55.956 -2.531 -99.200 -91.000 TRP6 238 1.020 43.878 54.115 -2.102 -99.200 -91.000 HIS 241 0.900 50.837 62.024 5.387 -99.200 -91.000 TRP 242 1.040 55.797 58.548 8.991 -99.200 -91.000 TRP6 242 1.020 54.356 57.804 10.701 -99.200 -91.000 HIS 246 0.900 65.771 57.034 2.469 -99.200 -91.000 HIS 255 0.900 44.763 49.013 6.009 -99.200 -91.000 PHE 256 1.000 41.463 44.714 6.100 -99.200 -91.000 HIS 262 0.900 48.620 41.476 -4.782 -99.200 -91.000 TRP 273 1.040 64.239 52.319 2.472 -99.200 -91.000 TRP6 273 1.020 64.076 51.692 4.752 -99.200 -91.000