============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 21 0.840 34.450 25.956 16.510 -99.200 -91.000 TYR 30 0.840 26.617 40.429 4.785 -99.200 -91.000 PHE 50 1.000 35.162 28.513 19.285 -99.200 -91.000 TYR 55 0.840 37.015 36.184 22.174 -99.200 -91.000 PHE 56 1.000 31.877 34.224 15.719 -99.200 -91.000 PHE 57 1.000 38.820 38.597 16.252 -99.200 -91.000 TYR 59 0.840 39.589 44.391 15.606 -99.200 -91.000 HIS 68 0.900 37.041 41.706 21.706 -99.200 -91.000 TYR 80 0.840 46.159 49.211 9.738 -99.200 -91.000 PHE 104 1.000 43.188 29.255 9.276 -99.200 -91.000 TYR 106 0.840 50.097 29.899 14.119 -99.200 -91.000 PHE 107 1.000 45.622 37.116 17.098 -99.200 -91.000 TRP 109 1.040 42.898 39.780 22.147 -99.200 -91.000 TRP6 109 1.020 43.455 41.632 20.785 -99.200 -91.000 HIS 110 0.900 41.130 38.783 28.209 -99.200 -91.000 TYR 123 0.840 39.020 31.249 8.854 -99.200 -91.000 TYR 126 0.840 36.100 42.885 3.529 -99.200 -91.000 TRP 130 1.040 26.464 45.103 7.134 -99.200 -91.000 TRP6 130 1.020 25.586 43.510 8.646 -99.200 -91.000 TRP 132 1.040 31.147 44.880 10.566 -99.200 -91.000 TRP6 132 1.020 29.357 43.873 11.735 -99.200 -91.000 TYR 139 0.840 42.782 32.413 23.399 -99.200 -91.000