============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 22 0.900 27.600 21.265 37.547 -99.200 -91.000 PHE 24 1.000 22.094 19.443 40.228 -99.200 -91.000 TRP 32 1.040 17.153 18.588 44.480 -99.200 -91.000 TRP6 32 1.020 15.779 20.252 43.492 -99.200 -91.000 PHE 35 1.000 16.333 21.293 32.321 -99.200 -91.000 HIS 47 0.900 23.179 34.530 27.218 -99.200 -91.000 PHE 55 1.000 12.995 26.182 32.399 -99.200 -91.000 TYR 60 0.840 13.074 23.077 35.776 -99.200 -91.000 TYR 69 0.840 34.680 34.705 40.368 -99.200 -91.000 TRP 70 1.040 34.311 34.410 45.679 -99.200 -91.000 TRP6 70 1.020 34.860 36.634 45.101 -99.200 -91.000 PHE 78 1.000 29.709 31.770 55.674 -99.200 -91.000 HIS 79 0.900 27.807 32.647 51.369 -99.200 -91.000 HIS 81 0.900 26.876 24.565 46.459 -99.200 -91.000 PHE 86 1.000 13.884 28.792 39.001 -99.200 -91.000 TYR 96 0.840 10.950 31.154 34.875 -99.200 -91.000 TYR 105 0.840 34.085 35.918 54.676 -99.200 -91.000 TYR 107 0.840 24.637 33.539 47.864 -99.200 -91.000