============================================================================= 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 36.147 -88.052 42.742 -99.200 -91.000 PHE 7 1.000 36.257 -86.800 37.175 -99.200 -91.000 PHE 12 1.000 48.284 -81.755 28.223 -99.200 -91.000 TYR 23 0.840 49.248 -76.282 41.041 -99.200 -91.000 TYR 75 0.840 61.620 -88.903 50.553 -99.200 -91.000 TYR 82 0.840 61.700 -92.912 49.611 -99.200 -91.000 HIS 94 0.900 61.738-109.576 44.337 -99.200 -91.000 TYR 97 0.840 65.139-107.851 34.543 -99.200 -91.000 TYR 101 0.840 64.040-111.290 31.468 -99.200 -91.000 TYR 104 0.840 67.458-109.192 43.140 -99.200 -91.000 PHE 130 1.000 52.931 -92.086 43.343 -99.200 -91.000 HIS 139 0.900 77.923-102.894 39.215 -99.200 -91.000 PHE 142 1.000 76.086-108.015 30.198 -99.200 -91.000 PHE 145 1.000 79.911 -99.015 40.687 -99.200 -91.000 TYR 148 0.840 69.434 -93.840 35.150 -99.200 -91.000 TYR 156 0.840 63.530 -92.833 32.771 -99.200 -91.000 PHE 157 1.000 65.484 -85.586 34.374 -99.200 -91.000 TRP 159 1.040 70.607 -85.915 37.135 -99.200 -91.000 TRP6 159 1.020 70.928 -83.682 36.435 -99.200 -91.000 PHE 174 1.000 80.938 -77.758 47.429 -99.200 -91.000 TRP 179 1.040 81.310 -85.820 39.095 -99.200 -91.000 TRP6 179 1.020 81.889 -86.168 36.829 -99.200 -91.000 HIS 190 0.900 86.147 -84.558 51.937 -99.200 -91.000 PHE 204 1.000 76.968 -82.315 57.920 -99.200 -91.000 TYR 223 0.840 73.566-117.155 50.313 -99.200 -91.000 PHE 234 1.000 71.420 -99.837 49.936 -99.200 -91.000