============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 27 0.840 5.511 -18.369 29.718 -99.200 -91.000 PHE 29 1.000 -0.113 -14.932 28.071 -99.200 -91.000 TRP 33 1.040 5.709 -8.403 35.846 -99.200 -91.000 TRP6 33 1.020 4.144 -6.666 35.504 -99.200 -91.000 TRP 36 1.040 4.695 -6.176 24.398 -99.200 -91.000 TRP6 36 1.020 4.487 -7.243 22.298 -99.200 -91.000 TRP 47 1.040 10.504 -2.058 29.567 -99.200 -91.000 TRP6 47 1.020 9.078 -0.650 30.819 -99.200 -91.000 TYR 52 0.840 1.592 -10.977 36.920 -99.200 -91.000 TYR 60 0.840 1.267 1.075 28.565 -99.200 -91.000 PHE 64 1.000 8.197 3.684 23.442 -99.200 -91.000 TYR 80 0.840 -3.413 -10.242 20.543 -99.200 -91.000 TYR 93 0.840 8.207 -1.629 17.333 -99.200 -91.000 PHE 94 1.000 13.804 -8.308 19.012 -99.200 -91.000 TYR 99 0.840 12.560 -9.905 37.550 -99.200 -91.000 TYR 103 0.840 13.138 -18.290 29.102 -99.200 -91.000 TRP 104 1.040 15.042 -11.234 24.980 -99.200 -91.000 TRP6 104 1.020 14.914 -8.908 24.579 -99.200 -91.000 PHE 123 1.000 15.214 -11.681 -12.133 -99.200 -91.000 TYR 146 0.840 13.581 -7.332 -0.839 -99.200 -91.000 PHE 147 1.000 9.276 -0.010 0.948 -99.200 -91.000 TRP 155 1.040 19.905 -21.393 -0.627 -99.200 -91.000 TRP6 155 1.020 20.096 -21.473 -2.983 -99.200 -91.000 HIS 165 0.900 28.805 -17.194 3.671 -99.200 -91.000 PHE 167 1.000 26.897 -11.795 0.307 -99.200 -91.000 TYR 177 0.840 14.862 -2.009 1.332 -99.200 -91.000 TYR 195 0.840 22.769 -27.902 -4.990 -99.200 -91.000 HIS 201 0.900 8.354 -8.701 0.585 -99.200 -91.000