============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 2 1.000 45.440 0.991 13.506 -99.200 -91.000 PHE 3 1.000 46.293 -0.658 20.555 -99.200 -91.000 TRP 7 1.040 47.324 -6.661 23.691 -99.200 -91.000 TRP6 7 1.020 49.406 -6.523 24.815 -99.200 -91.000 HIS 10 0.900 42.404 -4.327 30.572 -99.200 -91.000 PHE 15 1.000 44.354 4.108 22.112 -99.200 -91.000 TYR 19 0.840 51.181 10.146 25.676 -99.200 -91.000 PHE 20 1.000 48.097 7.306 21.197 -99.200 -91.000 PHE 26 1.000 57.678 12.943 14.690 -99.200 -91.000 HIS 33 0.900 56.004 16.283 4.108 -99.200 -91.000 TYR 34 0.840 61.350 12.904 5.581 -99.200 -91.000 TYR 37 0.840 61.029 1.096 6.315 -99.200 -91.000 HIS 41 0.900 50.063 -3.445 7.002 -99.200 -91.000 PHE 44 1.000 49.691 1.084 17.498 -99.200 -91.000 TRP 46 1.040 53.184 -3.319 19.904 -99.200 -91.000 TRP6 46 1.020 52.052 -2.550 21.836 -99.200 -91.000 TYR 65 0.840 65.323 -5.682 12.735 -99.200 -91.000 HIS 66 0.900 68.316 1.655 10.223 -99.200 -91.000 HIS 72 0.900 56.734 -8.905 11.813 -99.200 -91.000 PHE 76 1.000 65.829 -7.162 19.507 -99.200 -91.000 TYR 92 0.840 66.675 -17.058 15.356 -99.200 -91.000 PHE 102 1.000 66.643 -21.740 18.982 -99.200 -91.000 HIS 104 0.900 68.308 -20.182 12.512 -99.200 -91.000 HIS 107 0.900 60.761 -18.555 10.523 -99.200 -91.000 TRP 113 1.040 60.429 -17.082 20.407 -99.200 -91.000 TRP6 113 1.020 62.386 -15.754 20.354 -99.200 -91.000 HIS 130 0.900 67.192 3.546 4.108 -99.200 -91.000 HIS 135 0.900 59.502 8.556 13.271 -99.200 -91.000 TRP 140 1.040 56.166 6.012 18.560 -99.200 -91.000 TRP6 140 1.020 54.036 4.975 18.522 -99.200 -91.000 PHE 143 1.000 50.487 3.279 23.450 -99.200 -91.000 TRP 150 1.040 46.525 -2.576 32.454 -99.200 -91.000 TRP6 150 1.020 46.463 -4.928 32.233 -99.200 -91.000 PHE 160 1.000 58.268 -6.434 32.819 -99.200 -91.000 TRP 163 1.040 67.568 -8.875 25.819 -99.200 -91.000 TRP6 163 1.020 66.734 -10.231 24.073 -99.200 -91.000 TYR 166 0.840 68.164 5.182 23.534 -99.200 -91.000 HIS 179 0.900 55.325 -7.948 37.417 -99.200 -91.000 HIS 180 0.900 60.795 -13.260 39.024 -99.200 -91.000 HIS 186 0.900 70.064 -3.827 20.409 -99.200 -91.000 TYR 193 0.840 81.610 -12.248 21.895 -99.200 -91.000 PHE 196 1.000 71.598 -11.283 23.434 -99.200 -91.000 PHE 197 1.000 76.986 -13.668 20.974 -99.200 -91.000 HIS 201 0.900 68.911 -11.832 29.830 -99.200 -91.000 PHE 202 1.000 67.064 -16.059 24.595 -99.200 -91.000 TRP 219 1.040 62.933 -19.615 25.273 -99.200 -91.000 TRP6 219 1.020 62.321 -17.336 25.076 -99.200 -91.000