============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 106.069 29.202 29.080 -99.200 -91.000 PHE 29 1.000 104.938 28.771 22.901 -99.200 -91.000 PHE 32 1.000 106.399 34.631 29.609 -99.200 -91.000 HIS 35 0.900 116.230 33.792 24.396 -99.200 -91.000 TRP 36 1.040 115.067 26.635 19.242 -99.200 -91.000 TRP6 36 1.020 115.081 24.424 20.056 -99.200 -91.000 TRP 47 1.040 120.719 33.487 21.782 -99.200 -91.000 TRP6 47 1.020 120.843 34.591 19.688 -99.200 -91.000 TYR 50 0.840 113.922 36.938 21.528 -99.200 -91.000 TYR 58 0.840 117.009 40.016 17.961 -99.200 -91.000 TYR 59 0.840 117.278 33.106 12.291 -99.200 -91.000 PHE 67 1.000 121.085 25.790 12.685 -99.200 -91.000 PHE 79 1.000 107.245 23.632 15.288 -99.200 -91.000 TYR 93 0.840 121.278 22.230 18.147 -99.200 -91.000 TYR 94 0.840 120.466 21.681 26.721 -99.200 -91.000 TYR 100 0.840 118.391 32.320 28.534 -99.200 -91.000 TYR 101 0.840 110.434 29.999 36.109 -99.200 -91.000 TYR 107 0.840 108.595 10.853 34.991 -99.200 -91.000 TRP 108 1.040 113.050 12.954 27.218 -99.200 -91.000 TRP6 108 1.020 110.798 12.737 26.514 -99.200 -91.000 TYR 126 0.840 128.627 -8.333 24.684 -99.200 -91.000 TYR 149 0.840 126.335 3.450 22.270 -99.200 -91.000 PHE 150 1.000 127.665 7.455 14.895 -99.200 -91.000 TRP 158 1.040 121.622 -0.687 36.338 -99.200 -91.000 TRP6 158 1.020 122.650 -2.750 35.851 -99.200 -91.000 HIS 168 0.900 128.751 5.287 40.840 -99.200 -91.000 PHE 170 1.000 131.451 4.163 35.496 -99.200 -91.000 TYR 179 0.840 129.303 7.737 20.568 -99.200 -91.000 TRP 192 1.040 122.705 -10.692 41.244 -99.200 -91.000 TRP6 192 1.020 124.751 -11.825 40.963 -99.200 -91.000 HIS 203 0.900 121.546 3.131 19.208 -99.200 -91.000