============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 21 0.840 25.784 73.469 103.914 -99.200 -91.000 TYR 24 0.840 21.656 79.286 102.108 -99.200 -91.000 TYR 26 0.840 20.118 72.617 111.152 -99.200 -91.000 TYR 32 0.840 10.469 68.219 103.064 -99.200 -91.000 PHE 33 1.000 10.547 69.791 108.451 -99.200 -91.000 PHE 38 1.000 3.610 68.052 108.279 -99.200 -91.000 PHE 41 1.000 7.297 68.321 112.499 -99.200 -91.000 HIS 43 0.900 8.708 78.899 115.726 -99.200 -91.000 TRP 44 1.040 12.820 72.367 116.711 -99.200 -91.000 TRP6 44 1.020 14.830 71.519 115.797 -99.200 -91.000 HIS 55 0.900 25.910 77.005 117.907 -99.200 -91.000 PHE 59 1.000 33.729 78.074 115.967 -99.200 -91.000 TYR 60 0.840 32.964 88.634 112.912 -99.200 -91.000 TYR 62 0.840 39.412 81.911 120.434 -99.200 -91.000 TYR 64 0.840 37.822 89.987 113.116 -99.200 -91.000 TRP 82 1.040 16.193 66.562 103.718 -99.200 -91.000 TRP6 82 1.020 16.227 68.899 103.352 -99.200 -91.000 PHE 89 1.000 13.075 67.078 112.797 -99.200 -91.000 HIS 95 0.900 25.144 69.992 108.893 -99.200 -91.000 PHE 98 1.000 30.628 67.661 108.224 -99.200 -91.000 TYR 104 0.840 34.378 65.251 119.455 -99.200 -91.000 HIS 116 0.900 47.912 74.532 126.913 -99.200 -91.000 PHE 121 1.000 35.899 79.851 120.853 -99.200 -91.000 TRP 124 1.040 29.048 77.593 125.142 -99.200 -91.000 TRP6 124 1.020 27.919 77.624 123.067 -99.200 -91.000 PHE 125 1.000 31.581 76.952 119.667 -99.200 -91.000 PHE 154 1.000 -2.524 67.535 111.681 -99.200 -91.000 TYR 159 0.840 7.224 70.270 122.874 -99.200 -91.000