============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 14.243 18.285 15.637 -99.200 -91.000 TRP6 14 1.020 12.801 19.269 17.223 -99.200 -91.000 TRP 35 1.040 18.536 28.927 4.579 -99.200 -91.000 TRP6 35 1.020 20.375 28.815 3.104 -99.200 -91.000 HIS 41 0.900 30.815 12.401 7.089 -99.200 -91.000 PHE 43 1.000 26.029 16.996 1.174 -99.200 -91.000 TRP 49 1.040 27.787 18.138 -7.050 -99.200 -91.000 TRP6 49 1.020 28.227 18.332 -4.742 -99.200 -91.000 HIS 59 0.900 8.033 6.889 12.302 -99.200 -91.000 HIS 64 0.900 6.914 7.108 -0.103 -99.200 -91.000 TYR 82 0.840 35.043 18.038 4.448 -99.200 -91.000 HIS 89 0.900 37.043 23.738 10.182 -99.200 -91.000 HIS 97 0.900 13.477 25.260 -6.959 -99.200 -91.000 HIS 105 0.900 2.589 14.379 11.772 -99.200 -91.000 PHE 116 1.000 20.554 29.105 25.193 -99.200 -91.000 PHE 123 1.000 29.462 23.922 30.531 -99.200 -91.000 PHE 126 1.000 22.106 11.528 30.011 -99.200 -91.000 TRP 132 1.040 14.701 6.950 8.880 -99.200 -91.000 TRP6 132 1.020 14.545 9.300 8.679 -99.200 -91.000 TYR 173 0.840 37.027 24.854 14.435 -99.200 -91.000 PHE 175 1.000 29.062 17.944 20.829 -99.200 -91.000 TYR 179 0.840 25.354 6.135 26.914 -99.200 -91.000 HIS 195 0.900 24.407 16.553 20.834 -99.200 -91.000 HIS 198 0.900 13.191 19.775 26.189 -99.200 -91.000 TYR 199 0.840 18.525 26.058 29.495 -99.200 -91.000 TRP 203 1.040 13.139 19.461 22.394 -99.200 -91.000 TRP6 203 1.020 14.486 17.653 23.103 -99.200 -91.000 TYR 204 0.840 17.383 26.450 22.342 -99.200 -91.000 TRP 211 1.040 34.951 12.289 13.772 -99.200 -91.000 TRP6 211 1.020 36.667 11.221 14.995 -99.200 -91.000 HIS 220 0.900 37.811 4.011 20.576 -99.200 -91.000 PHE 221 1.000 33.195 8.368 25.805 -99.200 -91.000 TYR 224 0.840 27.414 13.073 18.301 -99.200 -91.000 TYR 230 0.840 31.756 24.945 12.107 -99.200 -91.000 TRP 233 1.040 30.934 29.393 7.432 -99.200 -91.000 TRP6 233 1.020 29.773 27.445 6.778 -99.200 -91.000 PHE 252 1.000 34.986 28.397 10.457 -99.200 -91.000