============================================================================= 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. PHE 7 1.000 16.960 16.706 36.907 -99.200 -91.000 TYR 9 0.840 15.354 3.356 34.414 -99.200 -91.000 PHE 13 1.000 20.274 8.249 32.742 -99.200 -91.000 TYR 26 0.840 12.051 -12.105 15.602 -99.200 -91.000 TYR 32 0.840 6.292 -6.335 19.247 -99.200 -91.000 TRP 37 1.040 12.590 -4.661 28.065 -99.200 -91.000 TRP6 37 1.020 14.840 -4.634 27.341 -99.200 -91.000 TYR 44 0.840 5.081 -7.690 33.303 -99.200 -91.000 TRP 46 1.040 2.756 1.625 36.862 -99.200 -91.000 TRP6 46 1.020 2.016 1.967 34.635 -99.200 -91.000 TYR 54 0.840 10.174 -3.769 45.324 -99.200 -91.000 PHE 57 1.000 12.268 -0.395 36.525 -99.200 -91.000 TRP 58 1.040 18.820 -7.526 37.234 -99.200 -91.000 TRP6 58 1.020 19.435 -6.640 35.122 -99.200 -91.000 TYR 67 0.840 3.735 -9.872 27.741 -99.200 -91.000 PHE 80 1.000 18.629 -13.633 24.502 -99.200 -91.000 TYR 88 0.840 15.168 -0.374 29.792 -99.200 -91.000 TYR 94 0.840 15.965 12.061 26.320 -99.200 -91.000 PHE 133 1.000 22.167 13.058 38.735 -99.200 -91.000 PHE 145 1.000 8.977 -1.510 41.273 -99.200 -91.000 HIS 148 0.900 2.977 3.006 48.112 -99.200 -91.000 TYR 152 0.840 6.361 10.064 43.683 -99.200 -91.000 PHE 168 1.000 9.743 13.591 40.675 -99.200 -91.000 PHE 174 1.000 4.846 6.207 35.650 -99.200 -91.000 PHE 182 1.000 5.384 12.548 49.365 -99.200 -91.000 PHE 184 1.000 8.436 15.431 45.880 -99.200 -91.000 PHE 212 1.000 6.810 3.959 24.617 -99.200 -91.000 TYR 222 0.840 -3.781 9.002 36.730 -99.200 -91.000 PHE 228 1.000 6.863 26.024 37.229 -99.200 -91.000