============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 20 1.000 10.701 7.333 70.310 -99.200 -91.000 TRP 33 1.040 4.765 -2.459 73.893 -99.200 -91.000 TRP6 33 1.020 5.960 -3.252 72.023 -99.200 -91.000 PHE 45 1.000 15.770 7.966 62.742 -99.200 -91.000 HIS 50 0.900 18.673 2.915 54.667 -99.200 -91.000 TYR 61 0.840 21.002 -7.081 84.217 -99.200 -91.000 HIS 76 0.900 5.934 -10.933 71.324 -99.200 -91.000 TYR 77 0.840 9.893 -4.926 67.973 -99.200 -91.000 TYR 100 0.840 23.276 -11.070 81.657 -99.200 -91.000 TYR 163 0.840 20.547 -2.265 57.576 -99.200 -91.000 HIS 173 0.900 35.586 -20.956 75.069 -99.200 -91.000 TYR 174 0.840 27.370 -19.760 76.666 -99.200 -91.000 TRP 200 1.040 19.760 -15.908 73.259 -99.200 -91.000 TRP6 200 1.020 17.506 -15.492 73.876 -99.200 -91.000 TYR 211 0.840 8.026 -15.097 76.380 -99.200 -91.000 TYR 215 0.840 9.441 -16.908 71.534 -99.200 -91.000 HIS 222 0.900 13.035 -34.246 72.762 -99.200 -91.000 HIS 240 0.900 29.334 -24.672 85.944 -99.200 -91.000 TYR 246 0.840 26.467 -11.862 85.215 -99.200 -91.000