============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 22.323 -2.885 17.048 -99.200 -91.000 TYR 18 0.840 16.426 -20.047 15.246 -99.200 -91.000 TYR 24 0.840 26.108 -25.669 11.387 -99.200 -91.000 TYR 25 0.840 20.598 -28.284 17.986 -99.200 -91.000 HIS 31 0.900 24.673 -16.100 20.546 -99.200 -91.000 PHE 67 1.000 20.541 -7.913 16.486 -99.200 -91.000 TYR 88 0.840 33.238 -1.179 8.659 -99.200 -91.000 PHE 104 1.000 24.521 -11.285 13.532 -99.200 -91.000 PHE 114 1.000 32.377 -13.962 -0.238 -99.200 -91.000 TRP 126 1.040 29.475 1.639 -5.854 -99.200 -91.000 TRP6 126 1.020 30.655 1.001 -3.901 -99.200 -91.000 TRP 138 1.040 26.010 -14.716 1.672 -99.200 -91.000 TRP6 138 1.020 26.159 -12.681 0.473 -99.200 -91.000 TYR 139 0.840 22.635 -15.000 -5.770 -99.200 -91.000 PHE 153 1.000 28.535 -5.345 0.612 -99.200 -91.000 TRP 158 1.040 19.387 2.029 4.923 -99.200 -91.000 TRP6 158 1.020 20.392 0.079 5.803 -99.200 -91.000 TYR 161 0.840 17.841 -5.205 4.240 -99.200 -91.000