============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 23 0.900 19.150 8.025 82.861 -99.200 -91.000 TYR 27 0.840 13.493 0.921 79.468 -99.200 -91.000 HIS 32 0.900 21.619 7.646 65.339 -99.200 -91.000 TYR 33 0.840 26.561 11.789 67.745 -99.200 -91.000 HIS 34 0.900 24.049 12.558 59.799 -99.200 -91.000 PHE 80 1.000 22.369 -7.186 72.411 -99.200 -91.000 PHE 83 1.000 23.947 0.985 78.246 -99.200 -91.000 PHE 96 1.000 8.956 17.921 57.399 -99.200 -91.000 TYR 97 0.840 15.542 16.823 52.260 -99.200 -91.000 PHE 122 1.000 14.054 -4.627 56.262 -99.200 -91.000 PHE 128 1.000 14.898 -5.003 69.773 -99.200 -91.000 PHE 151 1.000 7.795 18.973 52.967 -99.200 -91.000 TYR 154 0.840 7.971 13.444 56.335 -99.200 -91.000 HIS 159 0.900 1.141 6.600 53.330 -99.200 -91.000 TYR 175 0.840 11.308 -14.889 66.256 -99.200 -91.000 TRP 200 1.040 2.613 24.943 60.572 -99.200 -91.000 TRP6 200 1.020 1.545 23.105 59.548 -99.200 -91.000 PHE 222 1.000 -0.341 2.686 76.915 -99.200 -91.000 TYR 230 0.840 -3.869 -9.312 73.643 -99.200 -91.000 HIS 246 0.900 -13.890 21.034 56.946 -99.200 -91.000