============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 66 1.000 41.620 48.690 51.439 -99.200 -91.000 HIS 72 0.900 38.916 46.365 55.463 -99.200 -91.000 TYR 98 0.840 27.015 67.413 60.762 -99.200 -91.000 HIS 127 0.900 16.797 71.179 56.991 -99.200 -91.000 HIS 131 0.900 23.623 67.852 62.565 -99.200 -91.000 TYR 133 0.840 25.048 71.919 57.599 -99.200 -91.000 HIS 136 0.900 24.950 63.819 50.586 -99.200 -91.000 HIS 145 0.900 36.204 76.060 56.428 -99.200 -91.000 TYR 149 0.840 28.367 73.662 45.655 -99.200 -91.000 TYR 153 0.840 35.167 62.076 33.602 -99.200 -91.000 HIS 161 0.900 25.238 70.528 34.250 -99.200 -91.000 HIS 165 0.900 18.927 69.056 40.687 -99.200 -91.000 PHE 171 1.000 20.527 79.954 33.547 -99.200 -91.000 PHE 190 1.000 36.472 66.971 36.905 -99.200 -91.000 TYR 196 0.840 40.908 65.754 29.497 -99.200 -91.000 HIS 209 0.900 20.667 80.646 15.878 -99.200 -91.000 PHE 213 1.000 17.203 86.510 17.121 -99.200 -91.000 TYR 235 0.840 38.347 77.167 21.250 -99.200 -91.000 PHE 244 1.000 25.906 71.155 25.740 -99.200 -91.000 TYR 248 0.840 29.329 61.686 20.875 -99.200 -91.000 TYR 252 0.840 34.813 73.150 21.643 -99.200 -91.000 TYR 257 0.840 19.251 76.256 29.888 -99.200 -91.000 HIS 258 0.900 18.918 69.297 35.530 -99.200 -91.000 HIS 262 0.900 21.432 67.097 33.980 -99.200 -91.000 PHE 270 1.000 26.705 58.194 27.118 -99.200 -91.000 PHE 281 1.000 36.877 66.008 49.680 -99.200 -91.000 HIS 288 0.900 20.826 56.841 44.500 -99.200 -91.000 PHE 292 1.000 13.352 58.059 54.749 -99.200 -91.000 TRP 296 1.040 16.545 49.688 56.105 -99.200 -91.000 TRP6 296 1.020 17.901 48.437 57.600 -99.200 -91.000