============================================================================= 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 21.165 22.628 19.447 -99.200 -91.000 TYR 7 0.840 16.615 23.085 20.979 -99.200 -91.000 HIS 40 0.900 11.086 11.089 15.586 -99.200 -91.000 PHE 41 1.000 8.027 4.571 10.345 -99.200 -91.000 HIS 42 0.900 4.754 7.293 7.776 -99.200 -91.000 PHE 45 1.000 12.298 4.147 8.265 -99.200 -91.000 PHE 61 1.000 8.693 22.163 -1.448 -99.200 -91.000 PHE 68 1.000 1.115 6.071 -4.040 -99.200 -91.000 PHE 77 1.000 0.543 16.244 8.935 -99.200 -91.000 TRP 117 1.040 14.677 8.549 24.800 -99.200 -91.000 TRP6 117 1.020 12.514 7.765 24.248 -99.200 -91.000 PHE 130 1.000 13.762 15.988 0.382 -99.200 -91.000 PHE 142 1.000 1.873 -3.318 -0.146 -99.200 -91.000 PHE 143 1.000 7.350 -2.583 1.565 -99.200 -91.000 PHE 152 1.000 12.573 -0.387 9.958 -99.200 -91.000 HIS 170 0.900 2.702 -0.841 13.539 -99.200 -91.000 PHE 172 1.000 1.262 4.513 20.968 -99.200 -91.000 PHE 179 1.000 -3.515 0.911 4.948 -99.200 -91.000 TYR 185 0.840 -13.049 -10.755 4.339 -99.200 -91.000 PHE 187 1.000 -1.176 -12.890 3.014 -99.200 -91.000 TYR 201 0.840 -6.860 -10.078 16.291 -99.200 -91.000 PHE 221 1.000 -1.235 -0.805 13.598 -99.200 -91.000 PHE 229 1.000 5.835 2.467 23.445 -99.200 -91.000 TYR 233 0.840 4.014 -5.144 17.593 -99.200 -91.000 TYR 234 0.840 7.678 -6.298 20.589 -99.200 -91.000 PHE 251 1.000 6.387 -16.008 17.067 -99.200 -91.000 PHE 266 1.000 12.844 -6.344 21.680 -99.200 -91.000 PHE 273 1.000 8.762 -2.463 23.338 -99.200 -91.000 PHE 274 1.000 8.534 0.329 28.300 -99.200 -91.000 PHE 277 1.000 9.869 2.780 21.048 -99.200 -91.000