============================================================================= 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 27.572 4.160 17.292 -99.200 -91.000 TYR 28 0.840 19.409 15.156 10.328 -99.200 -91.000 HIS 49 0.900 32.769 16.125 13.027 -99.200 -91.000 HIS 101 0.900 30.046 11.830 26.307 -99.200 -91.000 PHE 113 1.000 12.735 -13.233 10.541 -99.200 -91.000 TRP 116 1.040 6.403 -10.314 10.542 -99.200 -91.000 TRP6 116 1.020 7.974 -10.648 8.817 -99.200 -91.000 HIS 132 0.900 18.560 -8.392 14.384 -99.200 -91.000 HIS 136 0.900 12.830 -4.217 21.099 -99.200 -91.000 TYR 146 0.840 14.697 0.836 21.082 -99.200 -91.000 HIS 153 0.900 14.935 -9.028 1.094 -99.200 -91.000 TYR 163 0.840 9.008 5.109 4.355 -99.200 -91.000 HIS 179 0.900 18.762 3.527 -1.891 -99.200 -91.000 HIS 183 0.900 12.117 9.396 3.528 -99.200 -91.000 PHE 184 1.000 10.124 4.749 10.191 -99.200 -91.000 TYR 194 0.840 6.621 6.416 13.800 -99.200 -91.000 HIS 197 0.900 4.442 3.506 20.596 -99.200 -91.000 TYR 200 0.840 6.326 -4.818 8.547 -99.200 -91.000 HIS 203 0.900 6.125 1.912 -1.509 -99.200 -91.000 TYR 205 0.840 9.788 -0.357 -2.535 -99.200 -91.000