============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TRP 12 1.040 -0.109 0.801 11.860 -99.200 -91.000 TRP6 12 1.020 -0.353 2.389 10.136 -99.200 -91.000 TRP 14 1.040 3.183 -1.688 6.465 -99.200 -91.000 TRP6 14 1.020 1.129 -0.999 5.530 -99.200 -91.000 PHE 24 1.000 16.473 -8.653 22.947 -99.200 -91.000 HIS 25 0.900 11.125 -5.978 18.393 -99.200 -91.000 PHE 26 1.000 17.193 -8.655 15.491 -99.200 -91.000 TRP 36 1.040 12.094 -10.669 -2.100 -99.200 -91.000 TRP6 36 1.020 14.459 -10.621 -1.992 -99.200 -91.000 HIS 42 0.900 20.076 0.462 12.707 -99.200 -91.000 PHE 56 1.000 -2.773 -7.771 18.987 -99.200 -91.000 PHE 74 1.000 19.677 -11.213 -1.605 -99.200 -91.000 TYR 79 0.840 25.163 0.083 7.512 -99.200 -91.000 PHE 99 1.000 1.391 -10.415 1.561 -99.200 -91.000 PHE 115 1.000 6.919 9.996 -0.744 -99.200 -91.000 TRP 126 1.040 5.500 -4.676 18.943 -99.200 -91.000 TRP6 126 1.020 5.614 -5.440 16.707 -99.200 -91.000 TYR 131 0.840 17.395 6.747 27.518 -99.200 -91.000