============================================================================= 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. TRP 12 1.040 19.375 -31.776 -0.595 -99.200 -91.000 TRP6 12 1.020 21.140 -30.601 0.466 -99.200 -91.000 PHE 21 1.000 3.390 -40.475 4.283 -99.200 -91.000 TYR 49 0.840 12.761 -41.315 23.828 -99.200 -91.000 PHE 51 1.000 11.361 -29.795 22.196 -99.200 -91.000 PHE 55 1.000 5.808 -29.080 23.204 -99.200 -91.000 HIS 59 0.900 3.655 -26.882 26.219 -99.200 -91.000 TYR 65 0.840 2.086 -43.639 23.963 -99.200 -91.000 HIS 70 0.900 9.835 -50.540 26.795 -99.200 -91.000 HIS 72 0.900 9.767 -49.445 14.378 -99.200 -91.000 HIS 74 0.900 11.149 -47.378 8.862 -99.200 -91.000 PHE 151 1.000 8.600 -21.403 0.265 -99.200 -91.000 TYR 152 0.840 8.516 -15.893 0.468 -99.200 -91.000 PHE 157 1.000 4.903 -23.247 -12.732 -99.200 -91.000 HIS 165 0.900 1.514 -21.639 8.541 -99.200 -91.000 PHE 166 1.000 8.742 -18.760 5.495 -99.200 -91.000 HIS 169 0.900 10.140 -23.093 21.337 -99.200 -91.000 TYR 170 0.840 7.333 -29.482 18.069 -99.200 -91.000 PHE 174 1.000 1.695 -29.514 20.666 -99.200 -91.000 PHE 178 1.000 -0.105 -32.799 16.769 -99.200 -91.000