============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 12 0.900 26.001 44.296 -74.574 -99.200 -91.000 HIS 29 0.900 27.366 38.152 -52.641 -99.200 -91.000 TYR 34 0.840 28.010 40.001 -59.455 -99.200 -91.000 TYR 40 0.840 29.367 40.461 -72.173 -99.200 -91.000 TYR 50 0.840 33.053 54.012 -70.401 -99.200 -91.000 PHE 57 1.000 29.698 43.711 -52.318 -99.200 -91.000 TYR 65 0.840 34.320 40.156 -57.105 -99.200 -91.000 TRP 71 1.040 33.529 59.200 -71.744 -99.200 -91.000 TRP6 71 1.020 34.521 57.516 -73.093 -99.200 -91.000 HIS 85 0.900 19.587 43.847 -59.539 -99.200 -91.000 TYR 117 0.840 27.898 63.335 -74.390 -99.200 -91.000 HIS 122 0.900 34.088 61.361 -64.428 -99.200 -91.000 PHE 125 1.000 27.726 55.134 -68.260 -99.200 -91.000 TRP 127 1.040 26.788 47.328 -65.417 -99.200 -91.000 TRP6 127 1.020 28.198 49.051 -66.239 -99.200 -91.000 TRP 128 1.040 24.486 49.686 -58.370 -99.200 -91.000 TRP6 128 1.020 26.316 50.972 -57.618 -99.200 -91.000 PHE 140 1.000 32.124 48.076 -49.695 -99.200 -91.000 TYR 141 0.840 29.905 54.215 -55.611 -99.200 -91.000 TYR 156 0.840 22.166 55.205 -59.235 -99.200 -91.000 PHE 159 1.000 18.548 53.779 -66.584 -99.200 -91.000 TYR 169 0.840 6.589 51.274 -72.078 -99.200 -91.000 PHE 170 1.000 4.447 51.008 -63.962 -99.200 -91.000 TYR 172 0.840 13.167 54.459 -60.230 -99.200 -91.000 PHE 182 1.000 14.983 58.533 -66.952 -99.200 -91.000 TYR 185 0.840 13.164 58.599 -75.871 -99.200 -91.000 PHE 186 1.000 9.510 56.170 -71.860 -99.200 -91.000 HIS 201 0.900 15.433 53.701 -56.373 -99.200 -91.000 PHE 204 1.000 24.143 55.970 -55.646 -99.200 -91.000 PHE 215 1.000 9.280 48.207 -61.620 -99.200 -91.000 TYR 220 0.840 3.156 45.039 -56.304 -99.200 -91.000 TRP 230 1.040 1.715 51.889 -70.835 -99.200 -91.000 TRP6 230 1.020 1.569 51.781 -68.479 -99.200 -91.000 PHE 238 1.000 2.579 45.973 -64.276 -99.200 -91.000 TYR 242 0.840 10.072 40.124 -58.770 -99.200 -91.000 HIS 243 0.900 13.120 38.375 -57.249 -99.200 -91.000 HIS 266 0.900 16.044 62.606 -74.262 -99.200 -91.000 TRP 269 1.040 24.547 62.038 -75.680 -99.200 -91.000 TRP6 269 1.020 25.062 59.730 -75.486 -99.200 -91.000