============================================================================= 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 11 1.040 56.249 -21.822 9.967 -99.200 -91.000 TRP6 11 1.020 55.769 -21.898 12.299 -99.200 -91.000 PHE 12 1.000 55.597 -12.965 9.185 -99.200 -91.000 PHE 33 1.000 49.752 -13.778 17.883 -99.200 -91.000 HIS 41 0.900 45.576 -9.848 30.662 -99.200 -91.000 PHE 53 1.000 58.973 -23.941 32.177 -99.200 -91.000 HIS 64 0.900 47.832 -12.716 13.368 -99.200 -91.000 PHE 67 1.000 38.314 -15.505 15.946 -99.200 -91.000 HIS 69 0.900 37.606 -6.952 13.444 -99.200 -91.000 HIS 70 0.900 38.742 -13.333 8.266 -99.200 -91.000 PHE 80 1.000 51.215 -7.710 17.651 -99.200 -91.000 HIS 82 0.900 60.952 -3.737 14.194 -99.200 -91.000 TYR 84 0.840 52.832 -4.631 20.778 -99.200 -91.000 PHE 88 1.000 56.686 -16.219 21.010 -99.200 -91.000 TYR 105 0.840 45.641 -28.084 17.461 -99.200 -91.000 HIS 124 0.900 42.052 -25.586 23.095 -99.200 -91.000 HIS 125 0.900 45.046 -24.387 30.287 -99.200 -91.000 PHE 126 1.000 38.111 -18.417 24.695 -99.200 -91.000