============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 21 0.900 -2.353 34.635 15.639 -99.200 -91.000 TYR 36 0.840 -8.340 25.413 9.222 -99.200 -91.000 HIS 38 0.900 -2.617 25.679 9.054 -99.200 -91.000 PHE 50 1.000 -5.641 24.357 22.180 -99.200 -91.000 TYR 60 0.840 -6.358 20.952 10.634 -99.200 -91.000 PHE 74 1.000 -3.783 18.163 22.185 -99.200 -91.000 PHE 98 1.000 -1.655 11.254 21.396 -99.200 -91.000 HIS 103 0.900 -16.051 10.129 19.426 -99.200 -91.000 PHE 108 1.000 -2.679 14.143 9.436 -99.200 -91.000 HIS 126 0.900 -13.146 4.443 16.784 -99.200 -91.000 HIS 129 0.900 -5.941 9.758 6.463 -99.200 -91.000 HIS 142 0.900 4.879 -8.249 19.058 -99.200 -91.000 PHE 145 1.000 2.351 1.298 13.813 -99.200 -91.000 HIS 153 0.900 -4.198 7.713 3.150 -99.200 -91.000 TYR 155 0.840 1.315 10.025 5.157 -99.200 -91.000 PHE 157 1.000 8.060 10.500 4.380 -99.200 -91.000 TRP 161 1.040 12.027 3.369 10.050 -99.200 -91.000 TRP6 161 1.020 10.650 3.539 11.951 -99.200 -91.000 TYR 170 0.840 4.315 -4.612 15.328 -99.200 -91.000 TRP 174 1.040 1.415 -2.870 10.697 -99.200 -91.000 TRP6 174 1.020 1.361 -0.922 9.381 -99.200 -91.000 HIS 178 0.900 -0.774 -4.586 8.087 -99.200 -91.000 TRP 185 1.040 3.881 15.359 1.441 -99.200 -91.000 TRP6 185 1.020 1.583 15.008 1.785 -99.200 -91.000