============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 2 0.900 24.723 10.190 -15.974 -99.200 -91.000 PHE 8 1.000 30.509 -1.773 -6.191 -99.200 -91.000 HIS 32 0.900 37.237 6.099 -13.388 -99.200 -91.000 HIS 45 0.900 23.685 -19.382 -19.188 -99.200 -91.000 PHE 92 1.000 29.178 6.687 12.072 -99.200 -91.000 PHE 103 1.000 37.836 5.371 0.841 -99.200 -91.000 HIS 116 0.900 21.285 -7.336 -0.706 -99.200 -91.000 TYR 121 0.840 20.106 -2.260 8.784 -99.200 -91.000 PHE 123 1.000 22.322 3.603 0.269 -99.200 -91.000 PHE 143 1.000 24.394 12.310 -7.536 -99.200 -91.000 TYR 160 0.840 14.848 -10.251 -6.227 -99.200 -91.000 TYR 166 0.840 28.928 -15.046 -4.741 -99.200 -91.000 TYR 170 0.840 28.814 -14.621 -9.964 -99.200 -91.000 TRP 171 1.040 24.471 -22.166 -11.146 -99.200 -91.000 TRP6 171 1.020 24.164 -24.138 -12.413 -99.200 -91.000 HIS 178 0.900 24.772 -12.003 7.424 -99.200 -91.000 TRP 193 1.040 25.275 -11.786 -14.383 -99.200 -91.000 TRP6 193 1.020 23.013 -11.120 -14.433 -99.200 -91.000 TRP 201 1.040 18.426 0.423 -12.869 -99.200 -91.000 TRP6 201 1.020 18.714 0.780 -10.561 -99.200 -91.000 HIS 205 0.900 16.635 3.767 -12.776 -99.200 -91.000 PHE 209 1.000 23.536 9.060 2.589 -99.200 -91.000 TYR 216 0.840 17.927 5.294 15.353 -99.200 -91.000