============================================================================= 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 21.279 22.703 19.500 -99.200 -91.000 TYR 7 0.840 16.670 23.195 21.028 -99.200 -91.000 HIS 40 0.900 11.115 11.238 15.563 -99.200 -91.000 PHE 41 1.000 7.966 4.721 10.336 -99.200 -91.000 HIS 42 0.900 5.036 7.328 7.631 -99.200 -91.000 PHE 45 1.000 12.251 4.222 8.250 -99.200 -91.000 PHE 61 1.000 8.917 22.148 -1.617 -99.200 -91.000 PHE 68 1.000 1.398 5.940 -4.040 -99.200 -91.000 PHE 77 1.000 0.747 16.413 8.894 -99.200 -91.000 TRP 117 1.040 14.650 8.647 24.847 -99.200 -91.000 TRP6 117 1.020 12.457 7.935 24.303 -99.200 -91.000 PHE 130 1.000 13.932 16.033 0.400 -99.200 -91.000 PHE 142 1.000 1.928 -3.229 -0.185 -99.200 -91.000 PHE 143 1.000 7.398 -2.553 1.544 -99.200 -91.000 PHE 152 1.000 12.547 -0.364 9.965 -99.200 -91.000 HIS 170 0.900 2.712 -0.835 13.624 -99.200 -91.000 PHE 172 1.000 1.326 4.691 20.941 -99.200 -91.000 PHE 179 1.000 -3.418 1.001 4.814 -99.200 -91.000 TYR 185 0.840 -13.001 -10.728 4.374 -99.200 -91.000 PHE 187 1.000 -1.144 -12.884 3.026 -99.200 -91.000 TYR 201 0.840 -6.806 -9.992 16.303 -99.200 -91.000 PHE 221 1.000 -1.122 -0.647 13.553 -99.200 -91.000 PHE 229 1.000 5.803 2.610 23.430 -99.200 -91.000 TYR 233 0.840 4.018 -5.115 17.619 -99.200 -91.000 TYR 234 0.840 7.672 -6.214 20.685 -99.200 -91.000 PHE 251 1.000 6.409 -15.935 17.153 -99.200 -91.000 PHE 266 1.000 12.842 -6.216 21.789 -99.200 -91.000 PHE 273 1.000 8.758 -2.301 23.434 -99.200 -91.000 PHE 274 1.000 8.489 0.405 28.378 -99.200 -91.000 PHE 277 1.000 9.853 2.891 21.044 -99.200 -91.000