============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TYR 24 0.840 19.452 26.350 29.814 -99.200 -91.000 TYR 40 0.840 28.675 23.171 31.901 -99.200 -91.000 TRP 47 1.040 24.885 32.941 31.242 -99.200 -91.000 TRP6 47 1.020 23.561 33.486 33.126 -99.200 -91.000 PHE 51 1.000 20.944 35.758 23.839 -99.200 -91.000 HIS 52 0.900 21.010 42.788 18.622 -99.200 -91.000 PHE 53 1.000 14.800 38.091 21.490 -99.200 -91.000 HIS 56 0.900 7.750 42.508 13.021 -99.200 -91.000 PHE 79 1.000 11.045 29.183 36.501 -99.200 -91.000 TRP 97 1.040 22.161 44.339 39.246 -99.200 -91.000 TRP6 97 1.020 22.877 42.072 39.365 -99.200 -91.000 TYR 98 0.840 14.585 43.749 35.058 -99.200 -91.000 HIS 111 0.900 22.921 47.861 27.896 -99.200 -91.000