============================================================================= 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 10.786 -85.814 40.212 -99.200 -91.000 PHE 14 1.000 14.720 -78.789 36.231 -99.200 -91.000 TYR 18 0.840 15.301 -78.223 30.160 -99.200 -91.000 HIS 65 0.900 -0.752-105.913 13.938 -99.200 -91.000 HIS 83 0.900 11.318-102.281 23.023 -99.200 -91.000 HIS 91 0.900 1.854-110.959 22.007 -99.200 -91.000 TYR 94 0.840 9.075-115.302 23.145 -99.200 -91.000 TYR 95 0.840 2.175-114.859 24.823 -99.200 -91.000 PHE 115 1.000 15.236 -90.072 31.179 -99.200 -91.000 PHE 130 1.000 14.242 -93.188 23.140 -99.200 -91.000 HIS 139 0.900 -8.269-104.153 12.985 -99.200 -91.000 TYR 145 0.840 -9.811 -99.946 11.302 -99.200 -91.000 PHE 148 1.000 -3.169 -96.599 21.673 -99.200 -91.000 HIS 149 0.900 1.364 -87.321 21.428 -99.200 -91.000 PHE 156 1.000 -0.095 -95.964 26.324 -99.200 -91.000 TYR 157 0.840 -3.297 -88.716 27.801 -99.200 -91.000 TYR 159 0.840 -4.448 -87.446 21.669 -99.200 -91.000 TRP 179 1.040 -12.333 -87.797 14.424 -99.200 -91.000 TRP6 179 1.020 -13.795 -88.615 16.089 -99.200 -91.000 HIS 180 0.900 -17.801 -86.338 10.875 -99.200 -91.000 PHE 218 1.000 2.345 -98.275 7.645 -99.200 -91.000 TYR 221 0.840 -2.852 -93.520 1.242 -99.200 -91.000