============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 9 0.900 23.080 35.372 21.875 -99.200 -91.000 PHE 12 1.000 22.026 43.722 26.902 -99.200 -91.000 TRP 17 1.040 21.459 49.732 24.212 -99.200 -91.000 TRP6 17 1.020 19.702 48.341 24.932 -99.200 -91.000 TRP 20 1.040 23.734 51.583 28.252 -99.200 -91.000 TRP6 20 1.020 22.159 50.566 29.705 -99.200 -91.000 TYR 27 0.840 19.168 38.812 28.258 -99.200 -91.000 PHE 30 1.000 15.481 30.748 26.335 -99.200 -91.000 HIS 31 0.900 11.000 34.206 19.306 -99.200 -91.000 PHE 38 1.000 -11.949 23.751 21.132 -99.200 -91.000 HIS 43 0.900 1.726 23.157 26.259 -99.200 -91.000 HIS 49 0.900 -11.154 37.789 26.389 -99.200 -91.000 PHE 81 1.000 23.016 50.380 35.175 -99.200 -91.000 TYR 90 0.840 25.353 42.414 39.646 -99.200 -91.000 TYR 93 0.840 18.138 46.502 34.288 -99.200 -91.000