============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 5 0.840 35.807 -87.991 43.020 -99.200 -91.000 PHE 7 1.000 36.023 -86.719 37.441 -99.200 -91.000 PHE 12 1.000 48.010 -81.522 28.543 -99.200 -91.000 TYR 23 0.840 49.044 -76.214 41.345 -99.200 -91.000 TYR 75 0.840 61.468 -88.796 50.920 -99.200 -91.000 TYR 82 0.840 61.426 -92.813 49.815 -99.200 -91.000 HIS 94 0.900 61.382-109.480 44.508 -99.200 -91.000 TYR 97 0.840 64.583-107.592 34.794 -99.200 -91.000 TYR 101 0.840 63.611-111.022 31.638 -99.200 -91.000 TYR 104 0.840 67.151-109.133 43.346 -99.200 -91.000 PHE 130 1.000 52.723 -91.977 43.655 -99.200 -91.000 HIS 139 0.900 77.589-102.755 39.407 -99.200 -91.000 PHE 142 1.000 75.706-107.818 30.426 -99.200 -91.000 PHE 145 1.000 79.592 -98.894 40.771 -99.200 -91.000 TYR 148 0.840 69.113 -93.771 35.285 -99.200 -91.000 TYR 156 0.840 63.404 -92.770 32.995 -99.200 -91.000 PHE 157 1.000 65.110 -85.425 34.413 -99.200 -91.000 TRP 159 1.040 70.313 -85.798 37.363 -99.200 -91.000 TRP6 159 1.020 70.658 -83.606 36.550 -99.200 -91.000 PHE 174 1.000 80.541 -77.740 47.655 -99.200 -91.000 TRP 179 1.040 81.079 -85.839 39.300 -99.200 -91.000 TRP6 179 1.020 81.471 -86.147 36.988 -99.200 -91.000 HIS 190 0.900 85.928 -84.442 52.136 -99.200 -91.000 PHE 204 1.000 76.736 -82.286 58.102 -99.200 -91.000 TYR 223 0.840 73.496-117.316 50.274 -99.200 -91.000 PHE 234 1.000 71.121 -99.760 50.050 -99.200 -91.000