============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 8 0.900 5.436 33.587 28.734 -99.200 -91.000 HIS 17 0.900 7.702 18.501 20.795 -99.200 -91.000 HIS 18 0.900 3.794 19.444 25.809 -99.200 -91.000 TYR 21 0.840 6.319 13.865 18.529 -99.200 -91.000 TYR 25 0.840 4.123 8.480 17.118 -99.200 -91.000 PHE 28 1.000 2.834 8.832 11.773 -99.200 -91.000 PHE 31 1.000 1.478 10.215 7.500 -99.200 -91.000 HIS 45 0.900 3.955 5.388 5.551 -99.200 -91.000 TYR 52 0.840 1.597 14.466 10.757 -99.200 -91.000 PHE 60 1.000 9.141 24.027 18.175 -99.200 -91.000 PHE 67 1.000 10.082 31.638 12.275 -99.200 -91.000 PHE 95 1.000 17.254 5.760 16.801 -99.200 -91.000 TRP 102 1.040 13.492 7.352 13.475 -99.200 -91.000 TRP6 102 1.020 15.045 6.515 11.885 -99.200 -91.000 TYR 109 0.840 1.437 3.519 10.242 -99.200 -91.000 TYR 111 0.840 7.905 4.813 9.762 -99.200 -91.000 HIS 121 0.900 17.354 9.863 1.052 -99.200 -91.000 PHE 132 1.000 21.210 14.162 14.943 -99.200 -91.000 HIS 142 0.900 13.240 16.978 32.145 -99.200 -91.000 HIS 146 0.900 12.983 16.903 21.212 -99.200 -91.000 TYR 182 0.840 15.951 22.562 31.713 -99.200 -91.000 HIS 187 0.900 20.827 17.155 31.591 -99.200 -91.000 HIS 193 0.900 32.397 17.305 31.881 -99.200 -91.000 TYR 196 0.840 25.356 26.012 24.476 -99.200 -91.000 HIS 213 0.900 16.797 14.964 2.755 -99.200 -91.000 TYR 217 0.840 13.969 16.415 -2.534 -99.200 -91.000 PHE 222 1.000 17.226 16.074 -13.588 -99.200 -91.000 PHE 238 1.000 12.583 18.139 2.305 -99.200 -91.000