============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 3 1.000 50.011 8.994 21.354 -99.200 -91.000 PHE 21 1.000 49.417 15.687 17.653 -99.200 -91.000 PHE 55 1.000 44.252 10.020 7.791 -99.200 -91.000 HIS 86 0.900 53.140 18.135 3.105 -99.200 -91.000 HIS 102 0.900 57.190 15.381 -1.622 -99.200 -91.000 PHE 104 1.000 52.188 13.669 -5.679 -99.200 -91.000 HIS 121 0.900 60.046 7.547 2.370 -99.200 -91.000 TYR 138 0.840 54.008 11.093 -15.716 -99.200 -91.000 PHE 147 1.000 43.016 3.591 -1.884 -99.200 -91.000 PHE 161 1.000 36.660 13.801 -5.995 -99.200 -91.000 TRP 167 1.040 40.806 3.516 -13.546 -99.200 -91.000 TRP6 167 1.020 43.092 3.925 -13.145 -99.200 -91.000 TYR 169 0.840 39.893 -2.079 -3.887 -99.200 -91.000 TYR 185 0.840 29.285 2.591 7.881 -99.200 -91.000 PHE 188 1.000 27.017 8.574 1.166 -99.200 -91.000 TYR 196 0.840 36.464 1.159 -2.415 -99.200 -91.000 PHE 202 1.000 32.002 -1.515 10.490 -99.200 -91.000