============================================================================= 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 44.082 20.451 28.676 -99.200 -91.000 TYR 22 0.840 32.338 12.088 36.592 -99.200 -91.000 TYR 27 0.840 35.238 -1.584 41.634 -99.200 -91.000 TYR 29 0.840 26.192 5.579 41.556 -99.200 -91.000 PHE 34 1.000 25.718 -7.198 39.258 -99.200 -91.000 TYR 35 0.840 22.920 -4.633 49.799 -99.200 -91.000 PHE 36 1.000 19.748 -1.816 47.238 -99.200 -91.000 HIS 48 0.900 17.515 -1.193 34.704 -99.200 -91.000 PHE 49 1.000 18.434 5.677 41.192 -99.200 -91.000 PHE 50 1.000 21.593 2.787 44.033 -99.200 -91.000 PHE 77 1.000 43.206 5.697 31.910 -99.200 -91.000 TRP 88 1.040 26.636 -0.962 48.761 -99.200 -91.000 TRP6 88 1.020 27.971 0.977 49.023 -99.200 -91.000 HIS 113 0.900 33.331 27.078 35.662 -99.200 -91.000 HIS 123 0.900 37.209 22.828 24.582 -99.200 -91.000 PHE 127 1.000 34.322 18.101 28.493 -99.200 -91.000 HIS 131 0.900 29.809 17.536 26.684 -99.200 -91.000 PHE 132 1.000 31.412 15.637 32.456 -99.200 -91.000 HIS 146 0.900 14.023 8.689 43.070 -99.200 -91.000 TYR 161 0.840 6.259 -5.119 47.079 -99.200 -91.000 PHE 163 1.000 11.439 5.302 46.175 -99.200 -91.000