============================================================================= 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. HIS 10 0.900 31.784 -24.142 -6.393 -99.200 -91.000 TYR 14 0.840 20.005 -20.229 -4.733 -99.200 -91.000 TRP 35 1.040 16.277 -12.376 -19.061 -99.200 -91.000 TRP6 35 1.020 15.985 -10.029 -19.146 -99.200 -91.000 HIS 41 0.900 20.671 -0.911 -3.015 -99.200 -91.000 HIS 55 0.900 32.757 -21.081 -1.442 -99.200 -91.000 PHE 73 1.000 16.066 -4.771 -19.888 -99.200 -91.000 TYR 75 0.840 8.885 -1.752 -9.853 -99.200 -91.000 TYR 78 0.840 15.264 2.342 -6.884 -99.200 -91.000 TYR 101 0.840 29.888 -28.131 -10.095 -99.200 -91.000 HIS 106 0.900 12.529 -23.406 -10.658 -99.200 -91.000 TRP 125 1.040 30.780 -14.274 -2.480 -99.200 -91.000 TRP6 125 1.020 28.923 -14.591 -3.905 -99.200 -91.000 HIS 129 0.900 30.201 -9.036 15.582 -99.200 -91.000 TRP 134 1.040 35.688 -7.090 -0.226 -99.200 -91.000 TRP6 134 1.020 35.229 -5.297 -1.700 -99.200 -91.000 HIS 156 0.900 11.527 -3.482 15.847 -99.200 -91.000 TYR 157 0.840 14.011 -0.518 9.524 -99.200 -91.000 PHE 159 1.000 4.191 3.389 11.350 -99.200 -91.000 PHE 193 1.000 13.960 -14.633 -5.773 -99.200 -91.000 PHE 199 1.000 15.345 -0.235 3.646 -99.200 -91.000 TYR 214 0.840 15.848 -9.544 3.307 -99.200 -91.000 HIS 221 0.900 7.447 -5.319 -6.112 -99.200 -91.000 TRP 224 1.040 9.572 -4.366 -14.194 -99.200 -91.000 TRP6 224 1.020 11.566 -5.022 -13.117 -99.200 -91.000