============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 8 0.840 20.452 28.733 44.187 -99.200 -91.000 TYR 23 0.840 11.775 36.865 32.609 -99.200 -91.000 TYR 28 0.840 -1.434 41.995 35.320 -99.200 -91.000 TYR 30 0.840 5.576 41.692 26.243 -99.200 -91.000 PHE 35 1.000 -7.209 39.330 25.861 -99.200 -91.000 TYR 36 0.840 -4.613 49.890 23.180 -99.200 -91.000 PHE 37 1.000 -1.783 47.399 19.795 -99.200 -91.000 HIS 49 0.900 -0.390 35.168 16.916 -99.200 -91.000 PHE 50 1.000 5.709 41.317 18.422 -99.200 -91.000 PHE 51 1.000 2.812 44.199 21.642 -99.200 -91.000 TYR 62 0.840 5.478 33.168 35.080 -99.200 -91.000 PHE 78 1.000 5.629 32.123 43.475 -99.200 -91.000 TRP 89 1.040 -0.865 48.965 26.692 -99.200 -91.000 TRP6 89 1.020 1.062 49.115 28.054 -99.200 -91.000 HIS 114 0.900 26.982 35.972 33.429 -99.200 -91.000 HIS 124 0.900 22.799 24.446 37.200 -99.200 -91.000 PHE 128 1.000 17.988 28.766 34.419 -99.200 -91.000 HIS 132 0.900 17.184 26.581 29.076 -99.200 -91.000 PHE 133 1.000 15.628 32.730 31.441 -99.200 -91.000 HIS 147 0.900 8.663 43.398 14.046 -99.200 -91.000 HIS 152 0.900 11.518 57.014 11.410 -99.200 -91.000 TYR 164 0.840 -5.072 47.251 6.285 -99.200 -91.000 PHE 166 1.000 5.240 46.338 11.478 -99.200 -91.000 HIS 173 0.900 -2.583 38.722 8.793 -99.200 -91.000