============================================================================= 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. PHE 7 1.000 11.293 -85.295 39.556 -99.200 -91.000 PHE 14 1.000 15.446 -78.388 35.548 -99.200 -91.000 TYR 18 0.840 16.075 -78.026 29.543 -99.200 -91.000 HIS 65 0.900 0.023-106.064 14.036 -99.200 -91.000 HIS 83 0.900 12.204-102.120 22.617 -99.200 -91.000 HIS 91 0.900 2.571-110.829 21.734 -99.200 -91.000 TYR 94 0.840 9.278-115.235 23.277 -99.200 -91.000 TYR 95 0.840 2.777-114.735 24.447 -99.200 -91.000 PHE 115 1.000 15.926 -89.657 30.778 -99.200 -91.000 PHE 130 1.000 14.913 -93.246 22.645 -99.200 -91.000 HIS 139 0.900 -7.926-104.028 13.065 -99.200 -91.000 TYR 145 0.840 -9.012 -99.937 11.193 -99.200 -91.000 PHE 148 1.000 -2.214 -96.501 21.566 -99.200 -91.000 HIS 149 0.900 2.274 -87.295 21.359 -99.200 -91.000 PHE 156 1.000 1.009 -95.962 26.243 -99.200 -91.000 TYR 157 0.840 -2.662 -88.420 27.390 -99.200 -91.000 TYR 159 0.840 -3.656 -87.239 21.368 -99.200 -91.000 TRP 179 1.040 -11.755 -87.716 14.244 -99.200 -91.000 TRP6 179 1.020 -13.270 -88.427 15.920 -99.200 -91.000 HIS 180 0.900 -17.403 -86.814 10.582 -99.200 -91.000 PHE 218 1.000 2.842 -98.308 7.518 -99.200 -91.000 TYR 221 0.840 -2.151 -93.816 0.914 -99.200 -91.000