============================================================================= 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 53.756 0.443 28.324 -99.200 -91.000 PHE 8 1.000 50.323 -6.914 11.107 -99.200 -91.000 HIS 32 0.900 43.700 -4.018 21.453 -99.200 -91.000 HIS 45 0.900 54.871 -29.747 12.335 -99.200 -91.000 PHE 92 1.000 51.630 10.086 0.422 -99.200 -91.000 PHE 103 1.000 43.104 3.051 9.105 -99.200 -91.000 HIS 116 0.900 59.294 -8.898 3.785 -99.200 -91.000 TYR 121 0.840 60.509 0.378 -1.801 -99.200 -91.000 PHE 123 1.000 58.454 1.107 8.650 -99.200 -91.000 PHE 143 1.000 56.447 4.704 19.809 -99.200 -91.000 TYR 160 0.840 65.726 -14.364 6.718 -99.200 -91.000 TYR 166 0.840 51.535 -17.196 2.617 -99.200 -91.000 TYR 170 0.840 51.073 -19.818 7.064 -99.200 -91.000 TRP 171 1.040 55.270 -26.858 4.085 -99.200 -91.000 TRP6 171 1.020 55.325 -29.213 4.275 -99.200 -91.000 HIS 178 0.900 56.002 -8.501 -5.973 -99.200 -91.000 TRP 193 1.040 55.404 -19.664 13.076 -99.200 -91.000 TRP6 193 1.020 57.564 -18.790 13.491 -99.200 -91.000 TRP 201 1.040 62.103 -8.485 17.897 -99.200 -91.000 TRP6 201 1.020 61.626 -6.906 16.206 -99.200 -91.000 HIS 205 0.900 64.135 -5.656 19.506 -99.200 -91.000 PHE 209 1.000 57.271 6.727 9.458 -99.200 -91.000 TYR 216 0.840 62.967 10.459 -3.473 -99.200 -91.000