============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 7 1.000 -20.420 99.042 39.062 -99.200 -91.000 TYR 11 0.840 -21.075 86.530 44.694 -99.200 -91.000 PHE 17 1.000 -15.691 99.507 31.363 -99.200 -91.000 PHE 29 1.000 -23.752 95.933 36.570 -99.200 -91.000 TYR 36 0.840 -8.626 102.197 30.072 -99.200 -91.000 TYR 72 0.840 -10.462 95.685 50.855 -99.200 -91.000 TYR 73 0.840 -17.158 97.985 57.023 -99.200 -91.000 TRP 112 1.040 -22.560 100.638 55.397 -99.200 -91.000 TRP6 112 1.020 -21.407 98.967 54.161 -99.200 -91.000 TRP 114 1.040 -24.835 95.213 48.724 -99.200 -91.000 TRP6 114 1.020 -23.312 96.910 49.364 -99.200 -91.000 TRP 129 1.040 -20.769 91.090 58.960 -99.200 -91.000 TRP6 129 1.020 -20.454 91.607 56.676 -99.200 -91.000 TYR 135 0.840 -3.100 101.760 56.033 -99.200 -91.000 HIS 148 0.900 -1.031 82.919 57.764 -99.200 -91.000 PHE 151 1.000 -11.014 82.865 63.094 -99.200 -91.000 TYR 159 0.840 -17.538 102.977 53.752 -99.200 -91.000 TYR 164 0.840 -12.396 109.343 44.589 -99.200 -91.000 TRP 174 1.040 -23.187 103.857 36.572 -99.200 -91.000 TRP6 174 1.020 -22.905 105.756 35.188 -99.200 -91.000