============================================================================= 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 4 1.000 17.793 3.805 -27.483 -99.200 -91.000 HIS 5 0.900 13.750 6.193 -25.692 -99.200 -91.000 HIS 44 0.900 14.263 10.520 -34.253 -99.200 -91.000 PHE 47 1.000 9.378 10.318 -26.756 -99.200 -91.000 TRP 50 1.040 9.258 21.981 -34.244 -99.200 -91.000 TRP6 50 1.020 9.243 23.573 -35.990 -99.200 -91.000 PHE 86 1.000 12.153 19.140 -17.996 -99.200 -91.000 HIS 98 0.900 -20.913 26.296 -10.182 -99.200 -91.000 HIS 119 0.900 8.392 2.731 -12.479 -99.200 -91.000 PHE 120 1.000 11.369 9.202 -12.485 -99.200 -91.000 PHE 125 1.000 9.089 13.811 -3.327 -99.200 -91.000 PHE 131 1.000 6.067 30.277 -4.385 -99.200 -91.000 HIS 149 0.900 -11.757 27.884 -11.743 -99.200 -91.000 PHE 159 1.000 -9.934 10.168 -22.632 -99.200 -91.000 TYR 160 0.840 -11.563 5.694 -23.077 -99.200 -91.000 TYR 166 0.840 -18.705 3.611 -14.484 -99.200 -91.000 TYR 169 0.840 -15.101 -4.895 -25.852 -99.200 -91.000 PHE 177 1.000 -8.348 4.131 -10.697 -99.200 -91.000 TRP 184 1.040 -10.108 11.042 -7.737 -99.200 -91.000 TRP6 184 1.020 -8.782 10.357 -5.895 -99.200 -91.000 TYR 192 0.840 -10.515 12.078 -13.300 -99.200 -91.000 HIS 231 0.900 -8.320 32.799 -23.356 -99.200 -91.000