============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 37.116 30.584 18.370 -99.200 -91.000 TYR 14 0.840 25.899 30.672 25.609 -99.200 -91.000 TYR 22 0.840 32.096 10.200 34.072 -99.200 -91.000 HIS 23 0.900 32.223 17.614 29.538 -99.200 -91.000 PHE 24 1.000 26.922 13.373 31.748 -99.200 -91.000 TRP 34 1.040 13.764 25.084 35.001 -99.200 -91.000 TRP6 34 1.020 13.082 22.843 34.788 -99.200 -91.000 HIS 40 0.900 23.287 12.608 22.481 -99.200 -91.000 TYR 42 0.840 17.990 9.682 32.189 -99.200 -91.000 PHE 64 1.000 32.272 22.467 40.705 -99.200 -91.000 HIS 73 0.900 9.843 16.440 23.039 -99.200 -91.000 TYR 76 0.840 16.114 10.553 23.019 -99.200 -91.000 TRP 121 1.040 35.173 22.187 28.661 -99.200 -91.000 TRP6 121 1.020 33.125 23.122 29.366 -99.200 -91.000 TYR 131 0.840 37.487 13.263 24.763 -99.200 -91.000 TYR 152 0.840 24.669 13.166 8.330 -99.200 -91.000 PHE 161 1.000 20.369 23.750 13.524 -99.200 -91.000 TYR 165 0.840 32.801 25.706 8.333 -99.200 -91.000 TRP 192 1.040 21.872 12.987 14.553 -99.200 -91.000 TRP6 192 1.020 22.254 12.112 12.405 -99.200 -91.000 TYR 205 0.840 25.111 21.076 15.360 -99.200 -91.000 TYR 211 0.840 12.114 20.076 20.125 -99.200 -91.000 TRP 214 1.040 8.440 19.708 26.321 -99.200 -91.000 TRP6 214 1.020 10.774 19.509 26.574 -99.200 -91.000