============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 14 0.900 39.533 15.102 34.791 -99.200 -91.000 TYR 24 0.840 48.120 15.088 36.788 -99.200 -91.000 HIS 39 0.900 60.550 28.089 26.800 -99.200 -91.000 HIS 49 0.900 39.071 12.905 17.148 -99.200 -91.000 TYR 50 0.840 43.685 11.064 21.975 -99.200 -91.000 TRP 51 1.040 38.291 19.776 24.746 -99.200 -91.000 TRP6 51 1.020 38.138 21.541 23.184 -99.200 -91.000 TYR 53 0.840 34.896 14.168 18.004 -99.200 -91.000 PHE 59 1.000 46.295 4.684 19.308 -99.200 -91.000 HIS 69 0.900 51.440 15.215 20.156 -99.200 -91.000 HIS 84 0.900 72.100 11.779 26.665 -99.200 -91.000 PHE 104 1.000 57.876 -4.729 15.187 -99.200 -91.000 TYR 110 0.840 62.703 5.147 17.349 -99.200 -91.000 PHE 117 1.000 55.412 7.805 27.807 -99.200 -91.000 PHE 118 1.000 53.534 9.724 20.310 -99.200 -91.000 PHE 131 1.000 59.004 21.803 37.555 -99.200 -91.000 TYR 132 0.840 56.999 14.205 29.890 -99.200 -91.000 HIS 134 0.900 60.124 11.374 26.807 -99.200 -91.000 PHE 138 1.000 63.863 7.432 22.169 -99.200 -91.000 TYR 140 0.840 66.921 13.096 20.253 -99.200 -91.000 PHE 148 1.000 63.886 26.912 25.806 -99.200 -91.000 HIS 162 0.900 58.354 7.580 9.420 -99.200 -91.000 HIS 173 0.900 61.621 11.967 -6.647 -99.200 -91.000 TYR 261 0.840 41.884 7.119 -10.484 -99.200 -91.000 HIS 285 0.900 45.068 3.969 -12.563 -99.200 -91.000 PHE 297 1.000 51.667 4.577 15.056 -99.200 -91.000 TYR 299 0.840 57.479 11.403 15.379 -99.200 -91.000 TRP 303 1.040 63.066 15.147 18.306 -99.200 -91.000 TRP6 303 1.020 61.109 14.099 17.477 -99.200 -91.000 HIS 323 0.900 46.577 31.723 16.175 -99.200 -91.000 PHE 325 1.000 46.194 31.441 22.777 -99.200 -91.000 PHE 334 1.000 43.758 21.944 23.777 -99.200 -91.000 PHE 337 1.000 43.704 22.488 16.250 -99.200 -91.000