============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 13 0.840 44.976 33.784 27.855 -99.200 -91.000 PHE 19 1.000 40.162 31.959 42.810 -99.200 -91.000 TRP 25 1.040 34.704 25.386 34.988 -99.200 -91.000 TRP6 25 1.020 36.560 24.019 34.479 -99.200 -91.000 HIS 44 0.900 14.683 7.731 30.277 -99.200 -91.000 TYR 52 0.840 7.950 7.317 20.558 -99.200 -91.000 TYR 71 0.840 26.049 17.347 28.070 -99.200 -91.000 HIS 76 0.900 31.106 27.246 22.641 -99.200 -91.000 TYR 79 0.840 37.555 22.521 23.559 -99.200 -91.000 HIS 96 0.900 63.416 18.977 28.415 -99.200 -91.000 HIS 108 0.900 54.828 18.464 31.818 -99.200 -91.000 TYR 140 0.840 31.628 17.932 18.256 -99.200 -91.000 TYR 145 0.840 17.285 13.058 19.227 -99.200 -91.000 PHE 177 1.000 21.240 9.908 20.955 -99.200 -91.000 HIS 187 0.900 32.335 10.169 33.153 -99.200 -91.000 TYR 199 0.840 43.815 26.891 39.406 -99.200 -91.000 TRP 203 1.040 46.849 28.526 44.420 -99.200 -91.000 TRP6 203 1.020 48.049 30.566 44.358 -99.200 -91.000 HIS 215 0.900 69.603 31.147 49.871 -99.200 -91.000