============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 8 1.040 33.342 15.382 -9.226 -99.200 -91.000 TRP6 8 1.020 33.293 14.267 -7.141 -99.200 -91.000 HIS 13 0.900 38.280 27.147 -3.355 -99.200 -91.000 TRP 15 1.040 39.316 17.101 1.405 -99.200 -91.000 TRP6 15 1.020 37.771 16.415 3.056 -99.200 -91.000 HIS 25 0.900 39.167 21.444 9.116 -99.200 -91.000 TYR 30 0.840 35.931 10.505 15.046 -99.200 -91.000 PHE 34 1.000 32.086 9.928 18.670 -99.200 -91.000 HIS 37 0.900 22.676 12.058 14.901 -99.200 -91.000 PHE 44 1.000 33.998 5.187 16.297 -99.200 -91.000 PHE 47 1.000 38.723 6.258 19.891 -99.200 -91.000 HIS 49 0.900 37.468 5.447 27.161 -99.200 -91.000 HIS 82 0.900 36.241 8.099 -13.010 -99.200 -91.000 HIS 83 0.900 33.505 6.682 -5.357 -99.200 -91.000 HIS 94 0.900 34.221 1.590 8.107 -99.200 -91.000 HIS 98 0.900 35.525 -1.347 11.856 -99.200 -91.000 TYR 104 0.840 24.779 4.274 13.963 -99.200 -91.000 PHE 107 1.000 22.209 9.341 12.576 -99.200 -91.000 HIS 114 0.900 27.235 22.148 13.028 -99.200 -91.000 HIS 117 0.900 26.674 26.977 7.540 -99.200 -91.000 HIS 120 0.900 37.130 25.717 6.157 -99.200 -91.000 PHE 124 1.000 29.976 23.426 3.032 -99.200 -91.000 PHE 139 1.000 31.619 7.363 1.679 -99.200 -91.000 TYR 147 0.840 27.746 -1.034 4.493 -99.200 -91.000 TYR 152 0.840 25.868 -4.169 7.836 -99.200 -91.000