============================================================================= 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. TYR 26 0.840 21.540 18.036 118.577 -99.200 -91.000 TRP 29 1.040 8.631 15.568 113.391 -99.200 -91.000 TRP6 29 1.020 8.085 17.799 113.957 -99.200 -91.000 HIS 31 0.900 13.806 9.198 112.734 -99.200 -91.000 TYR 32 0.840 6.604 4.858 115.473 -99.200 -91.000 PHE 54 1.000 1.871 18.748 124.125 -99.200 -91.000 TYR 55 0.840 1.529 11.459 129.360 -99.200 -91.000 TRP 62 1.040 11.343 33.299 137.529 -99.200 -91.000 TRP6 62 1.020 10.984 34.139 135.345 -99.200 -91.000 TRP 69 1.040 12.420 25.613 139.098 -99.200 -91.000 TRP6 69 1.020 12.549 27.798 138.205 -99.200 -91.000 TRP 70 1.040 18.584 19.550 137.646 -99.200 -91.000 TRP6 70 1.020 18.177 17.265 138.117 -99.200 -91.000 TRP 71 1.040 10.801 18.742 135.726 -99.200 -91.000 TRP6 71 1.020 10.927 21.097 135.535 -99.200 -91.000 PHE 83 1.000 6.861 7.716 127.785 -99.200 -91.000 PHE 88 1.000 8.866 2.405 135.884 -99.200 -91.000 TYR 89 0.840 3.333 -3.860 133.153 -99.200 -91.000 HIS 90 0.900 6.811 -3.094 126.948 -99.200 -91.000 PHE 91 1.000 16.925 -4.444 128.643 -99.200 -91.000 TYR 97 0.840 10.842 12.371 125.514 -99.200 -91.000 HIS 100 0.900 3.836 25.140 124.756 -99.200 -91.000 PHE 108 1.000 2.498 48.198 132.609 -99.200 -91.000 HIS 109 0.900 4.640 40.877 136.208 -99.200 -91.000 HIS 121 0.900 22.969 18.560 132.638 -99.200 -91.000 TYR 135 0.840 17.919 4.879 139.598 -99.200 -91.000 TYR 137 0.840 20.292 12.060 146.416 -99.200 -91.000 HIS 139 0.900 16.985 7.864 137.664 -99.200 -91.000 TRP 162 1.040 28.833 29.277 139.009 -99.200 -91.000 TRP6 162 1.020 31.104 29.584 138.422 -99.200 -91.000 PHE 165 1.000 22.413 22.758 137.527 -99.200 -91.000 PHE 176 1.000 24.468 20.750 125.296 -99.200 -91.000 HIS 178 0.900 19.636 28.046 122.559 -99.200 -91.000 PHE 180 1.000 18.112 32.957 125.815 -99.200 -91.000 TYR 195 0.840 16.542 6.769 121.403 -99.200 -91.000 HIS 207 0.900 21.162 6.523 128.432 -99.200 -91.000 TRP 210 1.040 16.614 14.172 124.334 -99.200 -91.000 TRP6 210 1.020 17.902 15.852 123.277 -99.200 -91.000 PHE 242 1.000 7.299 2.304 125.589 -99.200 -91.000