============================================================================= 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. TRP 5 1.040 9.649 19.203 2.096 -99.200 -91.000 TRP6 5 1.020 8.140 20.846 1.312 -99.200 -91.000 PHE 9 1.000 17.448 26.292 12.207 -99.200 -91.000 HIS 24 0.900 8.549 37.078 3.780 -99.200 -91.000 PHE 31 1.000 11.523 35.529 10.539 -99.200 -91.000 PHE 32 1.000 9.718 31.040 11.606 -99.200 -91.000 PHE 33 1.000 20.189 29.326 15.587 -99.200 -91.000 TYR 50 0.840 7.553 28.067 2.845 -99.200 -91.000 HIS 58 0.900 21.224 25.073 -7.245 -99.200 -91.000 PHE 79 1.000 10.117 15.592 12.187 -99.200 -91.000 PHE 87 1.000 4.732 32.475 14.280 -99.200 -91.000 HIS 89 0.900 4.676 37.675 9.413 -99.200 -91.000 TYR 97 0.840 -7.874 28.032 7.337 -99.200 -91.000 HIS 113 0.900 -3.038 28.122 20.493 -99.200 -91.000 PHE 115 1.000 0.625 29.887 18.878 -99.200 -91.000 TYR 125 0.840 -10.410 35.619 -0.811 -99.200 -91.000 TYR 170 0.840 6.290 37.788 -1.984 -99.200 -91.000 TYR 176 0.840 -5.644 30.302 0.420 -99.200 -91.000 HIS 178 0.900 -12.404 31.235 1.695 -99.200 -91.000 PHE 191 1.000 1.051 36.053 18.262 -99.200 -91.000 HIS 195 0.900 3.201 50.736 11.605 -99.200 -91.000 TRP 207 1.040 -6.664 34.803 10.722 -99.200 -91.000 TRP6 207 1.020 -5.926 32.795 9.701 -99.200 -91.000 HIS 210 0.900 -11.677 31.396 7.864 -99.200 -91.000 HIS 224 0.900 3.107 41.655 5.761 -99.200 -91.000 PHE 225 1.000 8.079 40.767 6.800 -99.200 -91.000 PHE 226 1.000 3.234 41.252 13.935 -99.200 -91.000