============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 16 0.900 16.058 28.634 -5.122 -99.200 -91.000 HIS 24 0.900 14.673 17.897 2.141 -99.200 -91.000 HIS 26 0.900 9.510 18.080 2.145 -99.200 -91.000 TYR 32 0.840 -1.677 27.962 -12.227 -99.200 -91.000 HIS 36 0.900 6.006 32.473 -16.316 -99.200 -91.000 TYR 51 0.840 -7.009 30.837 -11.338 -99.200 -91.000 PHE 54 1.000 -4.300 32.658 -2.682 -99.200 -91.000 PHE 62 1.000 -5.320 27.416 -3.234 -99.200 -91.000 HIS 78 0.900 -0.718 31.120 3.982 -99.200 -91.000 TRP 83 1.040 4.897 47.625 -4.636 -99.200 -91.000 TRP6 83 1.020 4.928 48.727 -6.717 -99.200 -91.000 PHE 95 1.000 -4.305 49.818 3.091 -99.200 -91.000 PHE 98 1.000 -8.229 42.640 4.100 -99.200 -91.000 HIS 101 0.900 0.599 41.383 0.365 -99.200 -91.000 TYR 105 0.840 -9.214 35.302 9.510 -99.200 -91.000 HIS 110 0.900 -12.715 28.160 5.780 -99.200 -91.000 HIS 125 0.900 1.339 33.440 8.583 -99.200 -91.000 HIS 138 0.900 7.113 51.369 -2.224 -99.200 -91.000 TYR 141 0.840 4.840 45.325 -0.126 -99.200 -91.000 PHE 155 1.000 -4.598 31.983 11.771 -99.200 -91.000 PHE 159 1.000 -4.613 27.124 13.297 -99.200 -91.000 PHE 174 1.000 12.131 48.125 -4.070 -99.200 -91.000 TYR 184 0.840 14.929 24.850 0.389 -99.200 -91.000 TYR 189 0.840 15.871 27.460 12.518 -99.200 -91.000 TYR 195 0.840 10.992 24.365 23.239 -99.200 -91.000 HIS 208 0.900 18.951 44.181 11.565 -99.200 -91.000