============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 14 0.840 31.955 7.639 39.398 -99.200 -91.000 PHE 17 1.000 33.118 -1.759 29.500 -99.200 -91.000 HIS 19 0.900 26.061 -6.662 30.773 -99.200 -91.000 HIS 20 0.900 24.479 -10.634 32.638 -99.200 -91.000 HIS 49 0.900 13.624 -10.295 45.917 -99.200 -91.000 PHE 62 1.000 17.580 7.999 38.258 -99.200 -91.000 TYR 64 0.840 16.647 2.590 27.039 -99.200 -91.000 TRP 67 1.040 13.735 -8.909 31.374 -99.200 -91.000 TRP6 67 1.020 14.233 -7.288 33.020 -99.200 -91.000 HIS 101 0.900 30.217 10.191 44.040 -99.200 -91.000 PHE 109 1.000 21.705 3.721 29.408 -99.200 -91.000 HIS 113 0.900 29.865 8.819 27.924 -99.200 -91.000