============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 20 1.040 14.658 83.453 48.240 -99.200 -91.000 TRP6 20 1.020 13.013 85.126 48.003 -99.200 -91.000 HIS 26 0.900 20.314 74.025 51.214 -99.200 -91.000 HIS 54 0.900 16.559 86.456 67.395 -99.200 -91.000 PHE 71 1.000 10.954 70.904 60.518 -99.200 -91.000 HIS 76 0.900 -2.320 73.482 69.909 -99.200 -91.000 PHE 80 1.000 6.522 75.757 64.747 -99.200 -91.000 PHE 103 1.000 28.149 68.114 48.792 -99.200 -91.000 TRP 108 1.040 32.314 74.499 51.515 -99.200 -91.000 TRP6 108 1.020 31.637 72.448 50.570 -99.200 -91.000 HIS 109 0.900 26.174 72.276 47.019 -99.200 -91.000 TRP 110 1.040 23.444 79.953 48.350 -99.200 -91.000 TRP6 110 1.020 21.322 78.967 48.026 -99.200 -91.000 TRP 113 1.040 24.558 75.316 42.741 -99.200 -91.000 TRP6 113 1.020 23.614 74.716 40.662 -99.200 -91.000 HIS 118 0.900 33.826 81.549 35.117 -99.200 -91.000 PHE 127 1.000 33.995 74.302 45.148 -99.200 -91.000 PHE 135 1.000 33.561 68.823 45.660 -99.200 -91.000 TRP 136 1.040 38.042 66.643 42.183 -99.200 -91.000 TRP6 136 1.020 36.595 65.228 43.400 -99.200 -91.000 HIS 140 0.900 44.946 67.104 50.124 -99.200 -91.000 PHE 149 1.000 32.357 64.167 47.232 -99.200 -91.000 TYR 167 0.840 30.144 42.222 34.882 -99.200 -91.000 PHE 169 1.000 31.261 42.137 39.592 -99.200 -91.000 PHE 192 1.000 30.008 37.662 42.000 -99.200 -91.000 PHE 229 1.000 40.688 59.293 39.338 -99.200 -91.000 PHE 230 1.000 43.306 62.938 36.100 -99.200 -91.000 TYR 240 0.840 41.920 47.195 36.008 -99.200 -91.000 HIS 244 0.900 27.209 57.400 40.275 -99.200 -91.000 HIS 247 0.900 28.842 61.535 37.698 -99.200 -91.000 TRP 249 1.040 37.507 63.375 36.578 -99.200 -91.000 TRP6 249 1.020 39.067 64.936 37.416 -99.200 -91.000 PHE 287 1.000 16.577 70.723 38.344 -99.200 -91.000 PHE 306 1.000 30.306 57.788 30.009 -99.200 -91.000