============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 21.138 22.665 19.456 -99.200 -91.000 TYR 7 0.840 16.607 23.099 20.991 -99.200 -91.000 HIS 40 0.900 11.102 11.140 15.566 -99.200 -91.000 PHE 41 1.000 8.012 4.603 10.314 -99.200 -91.000 HIS 42 0.900 4.769 7.345 7.739 -99.200 -91.000 PHE 45 1.000 12.260 4.150 8.247 -99.200 -91.000 PHE 61 1.000 8.653 22.147 -1.382 -99.200 -91.000 PHE 68 1.000 1.059 6.090 -4.062 -99.200 -91.000 PHE 77 1.000 0.582 16.259 8.970 -99.200 -91.000 TRP 117 1.040 14.689 8.571 24.829 -99.200 -91.000 TRP6 117 1.020 12.531 7.773 24.275 -99.200 -91.000 PHE 130 1.000 13.762 16.006 0.395 -99.200 -91.000 PHE 142 1.000 1.848 -3.319 -0.142 -99.200 -91.000 PHE 143 1.000 7.363 -2.585 1.587 -99.200 -91.000 PHE 152 1.000 12.559 -0.366 9.965 -99.200 -91.000 HIS 170 0.900 2.705 -0.871 13.586 -99.200 -91.000 PHE 172 1.000 1.273 4.560 21.010 -99.200 -91.000 PHE 179 1.000 -3.515 0.900 4.953 -99.200 -91.000 TYR 185 0.840 -13.046 -10.762 4.368 -99.200 -91.000 PHE 187 1.000 -1.139 -12.903 2.997 -99.200 -91.000 TYR 201 0.840 -6.837 -10.076 16.270 -99.200 -91.000 PHE 221 1.000 -1.260 -0.744 13.600 -99.200 -91.000 PHE 229 1.000 5.809 2.495 23.457 -99.200 -91.000 TYR 233 0.840 4.011 -5.178 17.591 -99.200 -91.000 TYR 234 0.840 7.688 -6.321 20.595 -99.200 -91.000 PHE 251 1.000 6.367 -16.021 17.069 -99.200 -91.000 PHE 266 1.000 12.828 -6.300 21.722 -99.200 -91.000 PHE 273 1.000 8.747 -2.475 23.380 -99.200 -91.000 PHE 274 1.000 8.537 0.307 28.293 -99.200 -91.000 PHE 277 1.000 9.879 2.797 21.072 -99.200 -91.000