============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 152.593 26.225 17.219 -99.200 -91.000 PHE 5 1.000 152.427 34.928 22.048 -99.200 -91.000 TYR 28 0.840 177.282 24.331 14.359 -99.200 -91.000 TYR 44 0.840 192.617 31.208 4.765 -99.200 -91.000 TYR 48 0.840 200.673 29.984 2.329 -99.200 -91.000 TYR 50 0.840 194.848 24.789 -6.341 -99.200 -91.000 HIS 51 0.900 198.568 33.467 -3.668 -99.200 -91.000 PHE 54 1.000 200.908 33.902 -9.279 -99.200 -91.000 TYR 56 0.840 208.237 25.671 -10.764 -99.200 -91.000 PHE 57 1.000 203.752 25.361 -13.114 -99.200 -91.000 PHE 70 1.000 193.709 25.441 -12.928 -99.200 -91.000 PHE 71 1.000 198.483 25.210 -10.925 -99.200 -91.000 HIS 81 0.900 185.802 26.546 -3.122 -99.200 -91.000 TYR 88 0.840 176.698 26.100 7.908 -99.200 -91.000 PHE 108 1.000 204.670 23.220 -6.770 -99.200 -91.000 HIS 110 0.900 208.394 14.065 -11.988 -99.200 -91.000 HIS 118 0.900 205.407 16.713 -9.686 -99.200 -91.000 HIS 138 0.900 177.059 14.125 4.176 -99.200 -91.000 PHE 152 1.000 177.307 25.529 3.978 -99.200 -91.000 TYR 157 0.840 181.885 24.309 0.883 -99.200 -91.000 TYR 171 0.840 192.502 22.303 -16.956 -99.200 -91.000 HIS 182 0.900 204.632 23.207 -31.159 -99.200 -91.000 TRP 185 1.040 204.458 28.183 -25.664 -99.200 -91.000 TRP6 185 1.020 203.359 28.634 -27.703 -99.200 -91.000 HIS 186 0.900 198.555 24.327 -29.607 -99.200 -91.000 PHE 187 1.000 196.687 21.998 -20.796 -99.200 -91.000 HIS 193 0.900 194.969 33.279 -25.237 -99.200 -91.000