============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 7 1.040 -18.352 -2.176 7.700 -99.200 -91.000 TRP6 7 1.020 -16.366 -1.118 8.400 -99.200 -91.000 HIS 12 0.900 -20.431 -8.265 20.173 -99.200 -91.000 TRP 14 1.040 -13.672 0.670 18.928 -99.200 -91.000 TRP6 14 1.020 -11.346 0.346 18.573 -99.200 -91.000 HIS 24 0.900 -8.877 -2.817 25.467 -99.200 -91.000 PHE 33 1.000 5.936 3.826 21.527 -99.200 -91.000 HIS 36 0.900 7.520 -3.557 14.140 -99.200 -91.000 PHE 43 1.000 4.684 8.482 18.972 -99.200 -91.000 PHE 46 1.000 4.398 9.471 24.494 -99.200 -91.000 HIS 48 0.900 10.490 10.546 28.584 -99.200 -91.000 HIS 64 0.900 -0.628 10.613 21.483 -99.200 -91.000 HIS 81 0.900 -20.512 5.182 3.796 -99.200 -91.000 HIS 82 0.900 -12.700 5.527 6.178 -99.200 -91.000 HIS 93 0.900 -0.838 10.791 12.407 -99.200 -91.000 HIS 97 0.900 2.155 14.465 14.116 -99.200 -91.000 TYR 103 0.840 7.887 3.917 11.146 -99.200 -91.000 PHE 106 1.000 6.606 -1.848 11.048 -99.200 -91.000 HIS 113 0.900 -0.073 -9.873 20.853 -99.200 -91.000 HIS 116 0.900 -5.720 -14.389 19.992 -99.200 -91.000 HIS 119 0.900 -11.557 -7.452 24.706 -99.200 -91.000 PHE 123 1.000 -9.696 -9.823 17.265 -99.200 -91.000 PHE 138 1.000 -6.242 4.063 9.904 -99.200 -91.000 TYR 146 0.840 1.009 9.159 4.602 -99.200 -91.000 TYR 151 0.840 4.670 14.327 2.629 -99.200 -91.000