============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 20 1.000 25.357 3.777 4.208 -99.200 -91.000 TRP 32 1.040 24.933 0.580 -4.231 -99.200 -91.000 TRP6 32 1.020 26.725 -0.051 -2.872 -99.200 -91.000 HIS 43 0.900 12.777 15.399 -1.215 -99.200 -91.000 PHE 45 1.000 21.037 10.039 1.625 -99.200 -91.000 HIS 46 0.900 21.135 16.229 6.367 -99.200 -91.000 HIS 48 0.900 19.566 13.740 11.379 -99.200 -91.000 PHE 50 1.000 21.764 10.974 20.239 -99.200 -91.000 HIS 63 0.900 22.058 17.492 10.132 -99.200 -91.000 PHE 64 1.000 28.895 10.516 13.869 -99.200 -91.000 HIS 71 0.900 24.188 21.081 7.111 -99.200 -91.000 HIS 80 0.900 26.752 19.456 11.253 -99.200 -91.000 HIS 110 0.900 35.690 11.223 11.932 -99.200 -91.000 HIS 120 0.900 16.307 16.205 7.059 -99.200 -91.000