============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 20 1.000 11.100 51.232 31.024 -99.200 -91.000 HIS 21 0.900 14.063 44.863 31.588 -99.200 -91.000 TYR 23 0.840 12.782 43.655 38.579 -99.200 -91.000 HIS 34 0.900 16.819 34.662 31.361 -99.200 -91.000 HIS 39 0.900 19.037 38.486 13.250 -99.200 -91.000 TRP 46 1.040 4.604 47.144 21.357 -99.200 -91.000 TRP6 46 1.020 4.883 46.655 23.643 -99.200 -91.000 PHE 52 1.000 -2.339 40.612 31.051 -99.200 -91.000 TYR 58 0.840 6.010 35.891 24.338 -99.200 -91.000 HIS 60 0.900 8.210 26.857 24.373 -99.200 -91.000 PHE 61 1.000 6.420 23.223 29.299 -99.200 -91.000 PHE 71 1.000 -7.871 41.837 27.462 -99.200 -91.000 PHE 108 1.000 3.698 38.028 33.730 -99.200 -91.000 HIS 115 0.900 4.199 28.323 40.500 -99.200 -91.000 TYR 120 0.840 7.696 35.386 37.478 -99.200 -91.000 HIS 127 0.900 15.161 47.641 24.637 -99.200 -91.000 PHE 129 1.000 20.174 47.384 19.540 -99.200 -91.000 TRP 136 1.040 19.796 43.789 15.602 -99.200 -91.000 TRP6 136 1.020 21.290 45.148 14.359 -99.200 -91.000 TYR 143 0.840 12.906 35.475 36.841 -99.200 -91.000 PHE 159 1.000 9.675 24.669 34.433 -99.200 -91.000