============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 7.871 9.189 2.733 -99.200 -91.000 PHE 29 1.000 9.302 12.423 -2.523 -99.200 -91.000 TYR 32 0.840 8.860 4.267 0.609 -99.200 -91.000 TRP 33 1.040 6.853 2.821 -7.840 -99.200 -91.000 TRP6 33 1.020 5.904 2.760 -10.003 -99.200 -91.000 TRP 36 1.040 -0.423 14.125 -7.157 -99.200 -91.000 TRP6 36 1.020 -0.825 15.760 -5.510 -99.200 -91.000 TRP 47 1.040 -4.450 5.689 -9.028 -99.200 -91.000 TRP6 47 1.020 -3.692 5.312 -11.222 -99.200 -91.000 TYR 60 0.840 -0.318 11.116 -16.191 -99.200 -91.000 PHE 68 1.000 -6.522 15.132 -13.902 -99.200 -91.000 TYR 80 0.840 6.665 19.918 -7.347 -99.200 -91.000 TYR 94 0.840 -7.751 17.505 -7.064 -99.200 -91.000 TYR 95 0.840 -7.946 13.058 0.141 -99.200 -91.000 PHE 101 1.000 5.508 -1.161 -7.448 -99.200 -91.000 TYR 104 0.840 12.039 -9.989 -4.215 -99.200 -91.000 HIS 106 0.900 3.042 -12.197 -6.637 -99.200 -91.000 TYR 107 0.840 1.774 -5.010 0.894 -99.200 -91.000 TYR 111 0.840 2.577 6.061 6.660 -99.200 -91.000 TRP 112 1.040 -4.174 7.241 1.783 -99.200 -91.000 TRP6 112 1.020 -5.758 7.570 0.075 -99.200 -91.000 PHE 131 1.000 -24.763 36.109 12.044 -99.200 -91.000 TYR 154 0.840 -18.644 28.457 4.569 -99.200 -91.000 PHE 155 1.000 -18.204 29.600 -4.000 -99.200 -91.000 TRP 163 1.040 -16.460 25.034 19.553 -99.200 -91.000 TRP6 163 1.020 -17.954 26.752 20.183 -99.200 -91.000 HIS 173 0.900 -21.275 15.880 18.190 -99.200 -91.000 PHE 175 1.000 -24.265 19.199 13.776 -99.200 -91.000 TYR 185 0.840 -20.621 25.283 -0.107 -99.200 -91.000 TYR 203 0.840 -18.695 27.338 27.545 -99.200 -91.000 HIS 209 0.900 -13.872 31.348 3.499 -99.200 -91.000