============================================================================= 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 5 1.040 22.076 20.416 -4.399 -99.200 -91.000 TRP6 5 1.020 20.338 21.986 -4.814 -99.200 -91.000 HIS 11 0.900 30.269 36.507 -15.444 -99.200 -91.000 HIS 22 0.900 18.062 17.798 -6.434 -99.200 -91.000 TYR 27 0.840 14.439 23.985 -5.734 -99.200 -91.000 TYR 43 0.840 26.147 34.220 3.495 -99.200 -91.000 PHE 44 1.000 24.174 29.767 -3.829 -99.200 -91.000 TRP 52 1.040 17.010 22.610 -1.034 -99.200 -91.000 TRP6 52 1.020 14.964 21.445 -1.137 -99.200 -91.000 HIS 58 0.900 30.435 18.840 -12.548 -99.200 -91.000 PHE 65 1.000 32.946 24.284 -6.335 -99.200 -91.000 TRP 75 1.040 36.518 20.633 8.098 -99.200 -91.000 TRP6 75 1.020 36.031 22.260 9.752 -99.200 -91.000 TRP 76 1.040 30.923 24.057 10.487 -99.200 -91.000 TRP6 76 1.020 28.573 24.188 10.215 -99.200 -91.000 PHE 83 1.000 36.883 14.500 -7.422 -99.200 -91.000 HIS 107 0.900 16.710 47.999 -8.049 -99.200 -91.000 PHE 117 1.000 6.521 32.472 -8.162 -99.200 -91.000 HIS 119 0.900 13.835 26.037 -13.971 -99.200 -91.000 TYR 127 0.840 3.671 15.116 -10.620 -99.200 -91.000