============================================================================= 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 13.781 18.264 15.680 -99.200 -91.000 TRP6 14 1.020 12.240 19.217 17.202 -99.200 -91.000 TRP 35 1.040 17.672 29.205 4.527 -99.200 -91.000 TRP6 35 1.020 19.566 29.247 3.096 -99.200 -91.000 HIS 41 0.900 30.051 12.606 7.366 -99.200 -91.000 PHE 43 1.000 25.209 16.879 0.838 -99.200 -91.000 TRP 49 1.040 27.090 18.193 -6.818 -99.200 -91.000 TRP6 49 1.020 27.177 18.524 -4.479 -99.200 -91.000 HIS 59 0.900 7.319 6.455 12.456 -99.200 -91.000 HIS 64 0.900 5.823 7.308 0.185 -99.200 -91.000 TYR 82 0.840 34.488 17.906 4.402 -99.200 -91.000 HIS 89 0.900 36.574 23.741 10.039 -99.200 -91.000 HIS 97 0.900 12.131 24.716 -6.732 -99.200 -91.000 HIS 105 0.900 2.194 14.226 12.279 -99.200 -91.000 PHE 116 1.000 20.218 29.362 25.486 -99.200 -91.000 PHE 123 1.000 29.173 24.026 30.784 -99.200 -91.000 PHE 126 1.000 21.718 11.518 30.521 -99.200 -91.000 TRP 132 1.040 14.366 6.829 9.048 -99.200 -91.000 TRP6 132 1.020 14.240 9.174 8.851 -99.200 -91.000 TYR 173 0.840 36.403 25.006 14.532 -99.200 -91.000 PHE 175 1.000 28.607 18.148 20.861 -99.200 -91.000 TYR 179 0.840 24.786 6.024 27.049 -99.200 -91.000 HIS 195 0.900 23.865 16.462 20.986 -99.200 -91.000 HIS 198 0.900 12.735 19.611 26.553 -99.200 -91.000 TYR 199 0.840 17.954 26.243 29.553 -99.200 -91.000 TRP 203 1.040 12.617 19.510 22.588 -99.200 -91.000 TRP6 203 1.020 13.980 17.736 23.329 -99.200 -91.000 TYR 204 0.840 16.879 26.556 22.711 -99.200 -91.000 TRP 211 1.040 34.860 12.876 14.014 -99.200 -91.000 TRP6 211 1.020 36.587 11.783 15.215 -99.200 -91.000 HIS 220 0.900 37.605 3.830 20.652 -99.200 -91.000 PHE 221 1.000 33.314 8.514 25.634 -99.200 -91.000 TYR 224 0.840 26.943 13.200 18.452 -99.200 -91.000 TYR 230 0.840 31.266 25.148 12.034 -99.200 -91.000 TRP 233 1.040 29.868 29.690 7.149 -99.200 -91.000 TRP6 233 1.020 28.904 27.569 6.799 -99.200 -91.000 PHE 252 1.000 34.134 28.599 10.311 -99.200 -91.000