============================================================================= 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. TRP 9 1.040 41.512 15.359 7.270 -99.200 -91.000 TRP6 9 1.020 42.196 13.401 8.382 -99.200 -91.000 TYR 10 0.840 45.468 16.882 0.178 -99.200 -91.000 PHE 17 1.000 36.817 16.085 5.022 -99.200 -91.000 TYR 31 0.840 35.414 15.969 -1.095 -99.200 -91.000 TYR 42 0.840 31.657 21.325 -6.060 -99.200 -91.000 TYR 48 0.840 33.416 16.086 16.137 -99.200 -91.000 TRP 63 1.040 32.276 14.809 4.255 -99.200 -91.000 TRP6 63 1.020 33.719 13.180 5.158 -99.200 -91.000 TRP 67 1.040 28.849 16.079 -5.489 -99.200 -91.000 TRP6 67 1.020 31.090 16.553 -4.968 -99.200 -91.000 TYR 71 0.840 32.980 29.542 -9.922 -99.200 -91.000 HIS 75 0.900 21.054 19.769 -11.692 -99.200 -91.000 TRP 80 1.040 33.001 10.883 1.203 -99.200 -91.000 TRP6 80 1.020 32.200 12.816 0.116 -99.200 -91.000 TYR 84 0.840 40.649 11.383 13.961 -99.200 -91.000 TRP 96 1.040 32.471 7.155 -1.937 -99.200 -91.000 TRP6 96 1.020 31.369 6.931 -4.033 -99.200 -91.000 TRP 108 1.040 16.648 1.477 -13.038 -99.200 -91.000 TRP6 108 1.020 18.499 0.041 -13.287 -99.200 -91.000 HIS 115 0.900 36.323 1.086 -1.445 -99.200 -91.000 PHE 118 1.000 38.403 11.521 2.351 -99.200 -91.000