============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 27 0.840 16.762 62.815 2.525 -99.200 -91.000 PHE 29 1.000 22.997 63.167 5.707 -99.200 -91.000 PHE 32 1.000 16.156 68.439 1.772 -99.200 -91.000 TYR 33 0.840 17.996 72.850 9.536 -99.200 -91.000 TYR 35 0.840 14.565 68.368 12.231 -99.200 -91.000 TRP 36 1.040 19.755 62.278 15.737 -99.200 -91.000 TRP6 36 1.020 19.842 59.934 15.481 -99.200 -91.000 TRP 47 1.040 14.198 68.069 18.848 -99.200 -91.000 TRP6 47 1.020 15.201 70.110 19.468 -99.200 -91.000 TYR 60 0.840 23.545 69.277 20.890 -99.200 -91.000 PHE 64 1.000 17.984 64.938 26.342 -99.200 -91.000 TYR 80 0.840 27.909 58.054 12.143 -99.200 -91.000 TYR 93 0.840 17.931 57.220 22.864 -99.200 -91.000 TYR 94 0.840 10.870 56.298 17.750 -99.200 -91.000 TRP 100 1.040 8.665 65.959 -0.133 -99.200 -91.000 TRP6 100 1.020 8.927 63.800 0.776 -99.200 -91.000 PHE 105 1.000 10.995 66.172 14.065 -99.200 -91.000 TRP 108 1.040 8.682 60.154 12.138 -99.200 -91.000 TRP6 108 1.020 9.174 60.859 14.335 -99.200 -91.000 PHE 127 1.000 11.047 30.842 38.534 -99.200 -91.000 TYR 150 0.840 12.807 40.108 30.653 -99.200 -91.000 PHE 151 1.000 19.478 45.168 31.140 -99.200 -91.000 TRP 159 1.040 0.497 31.502 25.783 -99.200 -91.000 TRP6 159 1.020 0.351 30.191 27.738 -99.200 -91.000 HIS 169 0.900 -6.095 39.357 28.066 -99.200 -91.000 PHE 171 1.000 -1.352 41.264 32.559 -99.200 -91.000 TYR 181 0.840 13.728 45.658 31.393 -99.200 -91.000 TYR 199 0.840 -4.638 25.079 27.698 -99.200 -91.000 HIS 205 0.900 16.368 38.063 27.115 -99.200 -91.000