============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 15 1.000 -2.352 1.191 37.269 -99.200 -91.000 HIS 19 0.900 5.329 8.420 37.352 -99.200 -91.000 PHE 22 1.000 -0.442 3.158 24.605 -99.200 -91.000 HIS 27 0.900 9.072 1.199 12.891 -99.200 -91.000 PHE 33 1.000 14.858 -8.974 5.425 -99.200 -91.000 PHE 34 1.000 17.452 -1.668 7.888 -99.200 -91.000 PHE 109 1.000 3.127 0.049 4.343 -99.200 -91.000 HIS 120 0.900 13.795 6.748 40.769 -99.200 -91.000 HIS 142 0.900 18.005 3.145 10.107 -99.200 -91.000 HIS 149 0.900 21.403 -1.553 -0.287 -99.200 -91.000 PHE 155 1.000 31.164 4.937 1.692 -99.200 -91.000 TRP 167 1.040 16.040 -1.484 29.566 -99.200 -91.000 TRP6 167 1.020 15.544 0.492 30.803 -99.200 -91.000 TRP 179 1.040 16.757 5.135 36.908 -99.200 -91.000 TRP6 179 1.020 16.625 5.147 34.550 -99.200 -91.000 HIS 183 0.900 20.013 16.744 35.823 -99.200 -91.000 TYR 233 0.840 26.186 17.347 12.499 -99.200 -91.000 TYR 249 0.840 26.956 12.300 40.033 -99.200 -91.000 TYR 276 0.840 22.348 33.191 21.922 -99.200 -91.000 PHE 291 1.000 21.106 30.649 16.835 -99.200 -91.000