============================================================================= 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. HIS 14 0.900 4.185 -11.576 3.592 -99.200 -91.000 HIS 35 0.900 18.298 7.417 17.142 -99.200 -91.000 HIS 38 0.900 17.661 3.651 15.223 -99.200 -91.000 PHE 57 1.000 15.611 -10.914 18.917 -99.200 -91.000 PHE 63 1.000 21.172 -5.939 25.361 -99.200 -91.000 TYR 72 0.840 18.356 -1.590 24.114 -99.200 -91.000 TYR 90 0.840 6.875 -7.207 3.476 -99.200 -91.000 PHE 92 1.000 11.521 -11.442 11.841 -99.200 -91.000 TYR 100 0.840 18.706 -16.195 20.163 -99.200 -91.000 HIS 102 0.900 14.299 -25.667 22.163 -99.200 -91.000 TYR 109 0.840 29.766 -20.104 18.975 -99.200 -91.000 HIS 127 0.900 28.269 -6.038 21.930 -99.200 -91.000 PHE 128 1.000 32.007 -5.915 18.761 -99.200 -91.000 PHE 139 1.000 23.276 -10.131 6.419 -99.200 -91.000 PHE 149 1.000 24.604 -3.866 9.143 -99.200 -91.000 PHE 154 1.000 35.159 2.223 15.658 -99.200 -91.000 TYR 169 0.840 25.608 -14.609 4.921 -99.200 -91.000 TYR 193 0.840 28.646 19.934 31.156 -99.200 -91.000 TYR 206 0.840 33.198 16.035 10.475 -99.200 -91.000 PHE 239 1.000 36.868 19.978 21.407 -99.200 -91.000 TRP 269 1.040 37.177 13.903 28.643 -99.200 -91.000 TRP6 269 1.020 35.318 13.435 30.006 -99.200 -91.000