============================================================================= 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 21.126 22.689 19.477 -99.200 -91.000 TYR 7 0.840 16.511 23.071 20.971 -99.200 -91.000 HIS 40 0.900 11.013 11.127 15.527 -99.200 -91.000 PHE 41 1.000 7.946 4.678 10.184 -99.200 -91.000 HIS 42 0.900 4.469 7.830 7.795 -99.200 -91.000 PHE 45 1.000 12.124 4.232 8.177 -99.200 -91.000 PHE 61 1.000 8.565 22.348 -1.359 -99.200 -91.000 PHE 68 1.000 0.856 6.271 -4.111 -99.200 -91.000 PHE 77 1.000 0.577 16.311 8.963 -99.200 -91.000 TRP 117 1.040 14.550 8.516 24.708 -99.200 -91.000 TRP6 117 1.020 12.379 7.759 24.150 -99.200 -91.000 PHE 130 1.000 13.674 16.149 0.384 -99.200 -91.000 PHE 142 1.000 1.811 -3.607 -0.332 -99.200 -91.000 PHE 143 1.000 7.213 -2.715 1.492 -99.200 -91.000 PHE 152 1.000 12.329 -0.300 9.880 -99.200 -91.000 HIS 170 0.900 2.557 -0.917 13.470 -99.200 -91.000 PHE 172 1.000 1.190 4.530 20.815 -99.200 -91.000 PHE 179 1.000 -3.736 0.827 4.915 -99.200 -91.000 TYR 185 0.840 -13.234 -10.771 4.359 -99.200 -91.000 PHE 187 1.000 -1.430 -13.101 3.042 -99.200 -91.000 TYR 201 0.840 -6.916 -10.069 16.248 -99.200 -91.000 PHE 221 1.000 -1.340 -0.854 13.500 -99.200 -91.000 PHE 229 1.000 5.638 2.513 23.314 -99.200 -91.000 TYR 233 0.840 3.864 -5.174 17.537 -99.200 -91.000 TYR 234 0.840 7.514 -6.299 20.540 -99.200 -91.000 PHE 251 1.000 6.126 -16.103 16.980 -99.200 -91.000 PHE 266 1.000 12.685 -6.275 21.574 -99.200 -91.000 PHE 273 1.000 8.610 -2.421 23.293 -99.200 -91.000 PHE 274 1.000 8.468 0.312 28.262 -99.200 -91.000 PHE 277 1.000 9.722 2.804 20.946 -99.200 -91.000