============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 26 0.840 41.980 25.174 30.396 -99.200 -91.000 PHE 32 1.000 46.733 26.398 31.293 -99.200 -91.000 TRP 34 1.040 46.186 32.590 32.702 -99.200 -91.000 TRP6 34 1.020 45.966 31.185 30.818 -99.200 -91.000 TRP 36 1.040 52.250 39.315 30.015 -99.200 -91.000 TRP6 36 1.020 51.661 39.520 27.754 -99.200 -91.000 PHE 40 1.000 65.961 41.393 26.486 -99.200 -91.000 TRP 47 1.040 58.482 34.291 34.700 -99.200 -91.000 TRP6 47 1.020 58.635 35.221 36.863 -99.200 -91.000 TYR 50 0.840 53.068 33.622 38.873 -99.200 -91.000 TYR 53 0.840 44.175 28.702 39.865 -99.200 -91.000 PHE 56 1.000 50.177 34.809 44.598 -99.200 -91.000 HIS 59 0.900 56.773 42.451 39.809 -99.200 -91.000 PHE 78 1.000 47.867 36.275 29.949 -99.200 -91.000 PHE 79 1.000 44.101 43.153 29.322 -99.200 -91.000 TYR 93 0.840 58.260 42.779 25.376 -99.200 -91.000 TYR 94 0.840 57.923 34.670 22.007 -99.200 -91.000 TRP 100 1.040 49.408 27.344 41.147 -99.200 -91.000 TRP6 100 1.020 50.557 29.410 41.079 -99.200 -91.000 TYR 101 0.840 49.514 18.946 40.653 -99.200 -91.000 TRP 107 1.040 55.784 29.226 25.398 -99.200 -91.000 TRP6 107 1.020 57.671 30.580 25.803 -99.200 -91.000 TYR 126 0.840 62.253 49.897 -5.109 -99.200 -91.000 TYR 149 0.840 60.610 46.816 6.525 -99.200 -91.000 PHE 150 1.000 61.817 52.186 13.112 -99.200 -91.000 TRP 158 1.040 57.571 34.997 -2.979 -99.200 -91.000 TRP6 158 1.020 58.239 36.479 -4.680 -99.200 -91.000 HIS 168 0.900 65.702 29.489 0.296 -99.200 -91.000 PHE 170 1.000 67.665 35.340 1.576 -99.200 -91.000 TYR 179 0.840 64.197 47.153 10.864 -99.200 -91.000 TRP 192 1.040 57.866 34.153 -14.502 -99.200 -91.000 TRP6 192 1.020 59.684 35.494 -15.188 -99.200 -91.000 HIS 203 0.900 55.591 49.063 7.719 -99.200 -91.000