============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 26 1.000 44.509 45.778 33.105 -99.200 -91.000 PHE 28 1.000 39.359 42.617 30.928 -99.200 -91.000 HIS 29 0.900 40.639 46.961 23.925 -99.200 -91.000 TYR 31 0.840 47.787 44.785 28.861 -99.200 -91.000 HIS 34 0.900 47.863 33.517 32.161 -99.200 -91.000 TRP 35 1.040 39.680 32.991 35.800 -99.200 -91.000 TRP6 35 1.020 39.093 34.131 37.803 -99.200 -91.000 TRP 46 1.040 47.701 28.653 33.321 -99.200 -91.000 TRP6 46 1.020 47.158 27.171 31.552 -99.200 -91.000 TYR 58 0.840 46.662 28.289 24.200 -99.200 -91.000 HIS 59 0.900 39.619 25.996 29.222 -99.200 -91.000 TRP 64 1.040 39.242 20.651 27.442 -99.200 -91.000 TRP6 64 1.020 38.015 18.693 26.939 -99.200 -91.000 TYR 79 0.840 32.067 37.540 33.572 -99.200 -91.000 PHE 82 1.000 34.810 26.785 39.422 -99.200 -91.000 PHE 92 1.000 39.324 28.573 41.683 -99.200 -91.000 PHE 93 1.000 45.736 34.039 44.672 -99.200 -91.000 TRP 103 1.040 59.995 47.804 21.496 -99.200 -91.000 TRP6 103 1.020 60.282 50.010 20.681 -99.200 -91.000 HIS 104 0.900 64.777 42.508 14.130 -99.200 -91.000 TYR 108 0.840 58.905 44.620 13.472 -99.200 -91.000 PHE 110 1.000 48.294 38.424 11.295 -99.200 -91.000 TYR 114 0.840 49.564 45.771 23.909 -99.200 -91.000 TYR 116 0.840 56.027 42.023 26.347 -99.200 -91.000 HIS 117 0.900 55.586 33.766 26.087 -99.200 -91.000 TYR 118 0.840 56.495 39.787 32.679 -99.200 -91.000 TRP 122 1.040 50.174 37.616 39.896 -99.200 -91.000 TRP6 122 1.020 49.589 35.314 40.046 -99.200 -91.000 PHE 141 1.000 35.141 10.686 69.319 -99.200 -91.000 TYR 164 0.840 34.406 21.909 63.741 -99.200 -91.000 PHE 165 1.000 29.392 23.312 56.919 -99.200 -91.000 TRP 173 1.040 42.603 22.550 76.797 -99.200 -91.000 TRP6 173 1.020 42.428 20.222 77.185 -99.200 -91.000 HIS 183 0.900 48.880 25.904 68.486 -99.200 -91.000 PHE 185 1.000 48.090 21.557 66.771 -99.200 -91.000 TYR 195 0.840 35.170 23.382 58.004 -99.200 -91.000 TYR 213 0.840 45.595 18.598 83.939 -99.200 -91.000 HIS 219 0.900 29.699 24.047 65.539 -99.200 -91.000