============================================================================= 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. PHE 2 1.000 -10.110 27.693 -5.702 -99.200 -91.000 TYR 30 0.840 -1.744 24.002 -25.050 -99.200 -91.000 HIS 31 0.900 -3.690 26.321 -21.008 -99.200 -91.000 HIS 53 0.900 -6.796 48.339 -11.566 -99.200 -91.000 HIS 56 0.900 -6.498 42.783 -13.870 -99.200 -91.000 PHE 92 1.000 -12.042 41.083 -12.063 -99.200 -91.000 TYR 106 0.840 2.490 46.079 -6.817 -99.200 -91.000 TRP 107 1.040 6.502 51.980 -4.017 -99.200 -91.000 TRP6 107 1.020 8.548 52.719 -4.930 -99.200 -91.000 TYR 116 0.840 -4.820 39.840 10.417 -99.200 -91.000 HIS 118 0.900 -3.235 44.671 0.504 -99.200 -91.000 PHE 119 1.000 -2.672 39.652 1.119 -99.200 -91.000 HIS 125 0.900 -14.278 46.018 1.981 -99.200 -91.000 TYR 133 0.840 1.919 36.019 -7.109 -99.200 -91.000 PHE 180 1.000 -4.278 28.661 3.528 -99.200 -91.000 PHE 193 1.000 4.687 24.495 -2.660 -99.200 -91.000 HIS 199 0.900 -2.746 20.921 -0.674 -99.200 -91.000 HIS 224 0.900 1.497 6.418 -8.722 -99.200 -91.000 PHE 225 1.000 5.399 12.811 -4.819 -99.200 -91.000 HIS 239 0.900 9.428 23.003 -14.968 -99.200 -91.000 PHE 243 1.000 10.273 32.036 -14.848 -99.200 -91.000 TRP 253 1.040 10.407 33.559 -29.874 -99.200 -91.000 TRP6 253 1.020 11.229 31.320 -29.856 -99.200 -91.000 HIS 287 0.900 15.840 18.329 -22.018 -99.200 -91.000