============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 7 0.840 44.089 20.456 28.657 -99.200 -91.000 TYR 22 0.840 32.362 12.062 36.577 -99.200 -91.000 TYR 27 0.840 35.240 -1.570 41.667 -99.200 -91.000 TYR 29 0.840 26.194 5.570 41.545 -99.200 -91.000 PHE 34 1.000 25.749 -7.201 39.232 -99.200 -91.000 TYR 35 0.840 22.937 -4.625 49.802 -99.200 -91.000 PHE 36 1.000 19.747 -1.815 47.257 -99.200 -91.000 HIS 48 0.900 17.644 -1.472 34.647 -99.200 -91.000 PHE 49 1.000 18.440 5.701 41.170 -99.200 -91.000 PHE 50 1.000 21.614 2.804 44.013 -99.200 -91.000 PHE 77 1.000 43.223 5.673 31.924 -99.200 -91.000 TRP 88 1.040 26.644 -0.944 48.786 -99.200 -91.000 TRP6 88 1.020 27.967 0.999 49.035 -99.200 -91.000 HIS 113 0.900 33.283 26.792 35.370 -99.200 -91.000 HIS 123 0.900 37.200 22.789 24.543 -99.200 -91.000 PHE 127 1.000 34.352 18.075 28.502 -99.200 -91.000 HIS 131 0.900 29.964 18.213 26.889 -99.200 -91.000 PHE 132 1.000 31.416 15.622 32.458 -99.200 -91.000 HIS 146 0.900 14.067 8.704 43.071 -99.200 -91.000 TYR 161 0.840 6.227 -5.130 47.061 -99.200 -91.000 PHE 163 1.000 11.433 5.234 46.181 -99.200 -91.000