============================================================================= 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 9 1.000 27.420 3.995 17.199 -99.200 -91.000 TYR 28 0.840 19.331 15.071 10.326 -99.200 -91.000 HIS 49 0.900 32.566 16.000 13.081 -99.200 -91.000 HIS 101 0.900 29.971 11.688 26.255 -99.200 -91.000 PHE 113 1.000 12.563 -13.267 10.382 -99.200 -91.000 TRP 116 1.040 6.344 -10.407 10.437 -99.200 -91.000 TRP6 116 1.020 7.931 -10.668 8.742 -99.200 -91.000 HIS 132 0.900 18.448 -8.505 14.245 -99.200 -91.000 HIS 136 0.900 12.705 -4.324 20.985 -99.200 -91.000 TYR 146 0.840 14.570 0.708 20.965 -99.200 -91.000 HIS 153 0.900 14.959 -9.052 1.041 -99.200 -91.000 TYR 163 0.840 8.989 4.988 4.258 -99.200 -91.000 HIS 179 0.900 18.731 3.467 -1.912 -99.200 -91.000 HIS 183 0.900 12.082 9.320 3.452 -99.200 -91.000 PHE 184 1.000 10.069 4.635 10.110 -99.200 -91.000 TYR 194 0.840 6.526 6.350 13.709 -99.200 -91.000 HIS 197 0.900 4.258 3.490 20.180 -99.200 -91.000 TYR 200 0.840 6.235 -4.866 8.423 -99.200 -91.000 HIS 203 0.900 5.856 1.890 -1.428 -99.200 -91.000 TYR 205 0.840 9.794 -0.417 -2.587 -99.200 -91.000