============================================================================= 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 12 0.840 8.369 24.298 16.014 -99.200 -91.000 HIS 13 0.900 8.969 32.915 13.342 -99.200 -91.000 HIS 18 0.900 -5.164 28.283 23.556 -99.200 -91.000 PHE 25 1.000 -18.397 18.847 27.155 -99.200 -91.000 TYR 27 0.840 -11.022 11.592 19.442 -99.200 -91.000 PHE 42 1.000 -9.304 20.671 26.480 -99.200 -91.000 PHE 48 1.000 -7.484 24.070 21.956 -99.200 -91.000 HIS 57 0.900 0.779 18.680 8.452 -99.200 -91.000 TYR 76 0.840 -13.950 11.626 25.349 -99.200 -91.000 TRP 88 1.040 2.050 25.715 14.092 -99.200 -91.000 TRP6 88 1.020 2.094 23.355 14.194 -99.200 -91.000 HIS 94 0.900 -5.939 29.351 18.024 -99.200 -91.000