============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 3 0.840 20.921 57.609 10.860 -99.200 -91.000 PHE 4 1.000 16.440 55.293 11.428 -99.200 -91.000 PHE 20 1.000 12.407 50.836 21.613 -99.200 -91.000 TYR 21 0.840 18.016 58.133 15.867 -99.200 -91.000 HIS 26 0.900 18.466 47.756 28.392 -99.200 -91.000 TYR 45 0.840 3.518 40.965 24.527 -99.200 -91.000 HIS 47 0.900 0.043 43.683 14.415 -99.200 -91.000 PHE 48 1.000 6.192 44.482 16.138 -99.200 -91.000 TYR 58 0.840 15.310 51.547 16.544 -99.200 -91.000 PHE 100 1.000 23.075 62.304 13.599 -99.200 -91.000 PHE 105 1.000 22.028 49.501 12.789 -99.200 -91.000 TYR 112 0.840 19.764 45.686 24.261 -99.200 -91.000 HIS 117 0.900 20.229 41.121 23.419 -99.200 -91.000 HIS 120 0.900 27.678 43.265 20.795 -99.200 -91.000 HIS 126 0.900 23.917 49.108 9.223 -99.200 -91.000 TRP 129 1.040 25.829 46.479 3.438 -99.200 -91.000 TRP6 129 1.020 25.237 48.708 4.004 -99.200 -91.000 PHE 130 1.000 29.325 52.711 6.023 -99.200 -91.000 HIS 152 0.900 42.073 57.265 7.541 -99.200 -91.000 PHE 165 1.000 32.324 70.577 18.501 -99.200 -91.000 PHE 174 1.000 32.168 61.546 7.123 -99.200 -91.000 HIS 176 0.900 40.718 68.035 6.081 -99.200 -91.000