============================================================================= 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 -15.492 2.000 9.477 -99.200 -91.000 HIS 14 0.900 -14.431 -5.189 1.100 -99.200 -91.000 PHE 18 1.000 -7.303 -1.516 11.842 -99.200 -91.000 PHE 22 1.000 -9.452 6.851 0.318 -99.200 -91.000 HIS 23 0.900 -9.978 3.013 7.997 -99.200 -91.000 HIS 43 0.900 -24.499 -3.304 0.134 -99.200 -91.000 PHE 46 1.000 -17.181 -0.566 -0.820 -99.200 -91.000 PHE 70 1.000 -22.047 10.639 -0.608 -99.200 -91.000 HIS 79 0.900 -19.406 20.757 16.965 -99.200 -91.000 TRP 107 1.040 -11.876 20.456 0.280 -99.200 -91.000 TRP6 107 1.020 -10.257 21.240 1.826 -99.200 -91.000 PHE 111 1.000 -11.959 15.629 11.898 -99.200 -91.000