============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 10 1.040 -4.811 1.539 -11.481 -99.200 -91.000 TRP6 10 1.020 -6.132 -0.243 -12.308 -99.200 -91.000 PHE 17 1.000 -16.001 -0.415 -7.166 -99.200 -91.000 PHE 23 1.000 -15.328 -9.646 0.810 -99.200 -91.000 PHE 31 1.000 -14.460 -4.877 1.071 -99.200 -91.000 HIS 37 0.900 -9.077 8.556 3.807 -99.200 -91.000 TRP 38 1.040 -6.626 5.448 -1.399 -99.200 -91.000 TRP6 38 1.020 -4.553 6.346 -2.079 -99.200 -91.000 HIS 41 0.900 -8.355 13.063 2.134 -99.200 -91.000 PHE 46 1.000 -10.627 3.482 -5.917 -99.200 -91.000 TYR 55 0.840 -12.143 -6.843 -13.593 -99.200 -91.000 PHE 58 1.000 -12.406 -3.446 -2.924 -99.200 -91.000 TYR 60 0.840 -14.004 -15.194 2.798 -99.200 -91.000 TYR 68 0.840 0.948 -5.963 -10.701 -99.200 -91.000 PHE 87 1.000 -11.075 4.476 6.229 -99.200 -91.000 HIS 92 0.900 -0.522 -1.156 3.577 -99.200 -91.000 HIS 96 0.900 0.883 -2.426 -1.105 -99.200 -91.000 PHE 100 1.000 1.875 6.055 -3.497 -99.200 -91.000 TRP 101 1.040 6.655 -0.869 -5.619 -99.200 -91.000 TRP6 101 1.020 6.344 -3.177 -6.041 -99.200 -91.000 HIS 102 0.900 4.601 -3.152 2.158 -99.200 -91.000 HIS 104 0.900 9.486 -1.958 4.528 -99.200 -91.000 HIS 112 0.900 15.015 9.244 4.744 -99.200 -91.000 TYR 126 0.840 9.114 -12.580 2.037 -99.200 -91.000 PHE 128 1.000 11.574 -6.419 7.568 -99.200 -91.000 TYR 143 0.840 11.382 6.370 4.924 -99.200 -91.000 PHE 145 1.000 10.745 8.680 9.497 -99.200 -91.000 HIS 150 0.900 7.621 3.310 7.924 -99.200 -91.000 TYR 151 0.840 6.341 -4.028 6.433 -99.200 -91.000 PHE 156 1.000 6.150 -9.785 7.780 -99.200 -91.000 PHE 161 1.000 6.958 -5.177 24.807 -99.200 -91.000 TYR 169 0.840 15.332 11.543 9.854 -99.200 -91.000 TYR 196 0.840 -2.698 7.710 -10.207 -99.200 -91.000