============================================================================= 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 21.143 22.674 19.449 -99.200 -91.000 TYR 7 0.840 16.630 23.140 20.992 -99.200 -91.000 HIS 40 0.900 11.112 11.161 15.557 -99.200 -91.000 PHE 41 1.000 8.061 4.616 10.343 -99.200 -91.000 HIS 42 0.900 4.784 7.366 7.771 -99.200 -91.000 PHE 45 1.000 12.240 4.160 8.233 -99.200 -91.000 PHE 61 1.000 8.693 22.191 -1.423 -99.200 -91.000 PHE 68 1.000 1.148 6.088 -4.053 -99.200 -91.000 PHE 77 1.000 0.620 16.257 9.016 -99.200 -91.000 TRP 117 1.040 14.676 8.601 24.782 -99.200 -91.000 TRP6 117 1.020 12.504 7.843 24.231 -99.200 -91.000 PHE 130 1.000 13.770 16.007 0.392 -99.200 -91.000 PHE 142 1.000 1.891 -3.272 -0.170 -99.200 -91.000 PHE 143 1.000 7.347 -2.570 1.590 -99.200 -91.000 PHE 152 1.000 12.564 -0.376 9.969 -99.200 -91.000 HIS 170 0.900 2.712 -0.833 13.560 -99.200 -91.000 PHE 172 1.000 1.260 4.569 21.003 -99.200 -91.000 PHE 179 1.000 -3.508 0.943 4.986 -99.200 -91.000 TYR 185 0.840 -13.048 -10.744 4.370 -99.200 -91.000 PHE 187 1.000 -1.133 -12.920 3.012 -99.200 -91.000 TYR 201 0.840 -6.842 -10.067 16.269 -99.200 -91.000 PHE 221 1.000 -1.255 -0.760 13.615 -99.200 -91.000 PHE 229 1.000 5.806 2.511 23.441 -99.200 -91.000 TYR 233 0.840 4.004 -5.126 17.574 -99.200 -91.000 TYR 234 0.840 7.671 -6.287 20.581 -99.200 -91.000 PHE 251 1.000 6.344 -16.007 17.050 -99.200 -91.000 PHE 266 1.000 12.839 -6.278 21.691 -99.200 -91.000 PHE 273 1.000 8.780 -2.443 23.342 -99.200 -91.000 PHE 274 1.000 8.545 0.312 28.289 -99.200 -91.000 PHE 277 1.000 9.852 2.805 21.060 -99.200 -91.000