============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 6 1.000 15.067 18.482 21.379 -99.200 -91.000 HIS 7 0.900 10.945 16.018 21.864 -99.200 -91.000 HIS 46 0.900 10.117 21.066 29.998 -99.200 -91.000 PHE 49 1.000 5.748 14.992 25.151 -99.200 -91.000 TRP 52 1.040 2.868 15.502 38.956 -99.200 -91.000 TRP6 52 1.020 2.286 15.989 41.199 -99.200 -91.000 PHE 88 1.000 7.210 2.942 28.584 -99.200 -91.000 HIS 100 0.900 -25.713 -6.122 24.250 -99.200 -91.000 HIS 121 0.900 7.078 6.761 11.366 -99.200 -91.000 PHE 122 1.000 8.598 3.242 17.295 -99.200 -91.000 PHE 127 1.000 6.013 -6.837 16.238 -99.200 -91.000 PHE 133 1.000 -0.088 -13.953 30.400 -99.200 -91.000 HIS 151 0.900 -17.470 -5.445 28.356 -99.200 -91.000 PHE 161 1.000 -12.987 12.536 19.302 -99.200 -91.000 TYR 162 0.840 -13.792 15.272 15.421 -99.200 -91.000 TYR 168 0.840 -20.075 9.153 8.183 -99.200 -91.000 TYR 171 0.840 -15.491 22.976 7.073 -99.200 -91.000 PHE 179 1.000 -9.778 5.102 8.493 -99.200 -91.000 TRP 186 1.040 -12.560 -0.786 12.484 -99.200 -91.000 TRP6 186 1.020 -11.040 -2.106 11.240 -99.200 -91.000 TYR 194 0.840 -13.485 3.588 16.145 -99.200 -91.000 HIS 239 0.900 -14.726 1.843 37.921 -99.200 -91.000