============================================================================= 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. PHE 7 1.000 20.766 38.541 -2.880 -99.200 -91.000 HIS 28 0.900 18.054 26.525 7.582 -99.200 -91.000 PHE 29 1.000 21.393 32.925 4.799 -99.200 -91.000 TRP 30 1.040 22.174 24.682 4.847 -99.200 -91.000 TRP6 30 1.020 23.454 22.810 4.189 -99.200 -91.000 TRP 33 1.040 31.411 23.631 9.594 -99.200 -91.000 TRP6 33 1.020 31.367 25.039 11.482 -99.200 -91.000 PHE 44 1.000 14.906 24.228 7.278 -99.200 -91.000 PHE 47 1.000 8.504 23.494 4.864 -99.200 -91.000 TYR 48 0.840 11.782 20.119 -1.535 -99.200 -91.000 HIS 51 0.900 4.696 21.620 -2.504 -99.200 -91.000 PHE 76 1.000 25.988 17.433 5.397 -99.200 -91.000 PHE 84 1.000 17.055 20.673 2.289 -99.200 -91.000 TYR 97 0.840 18.533 38.085 3.135 -99.200 -91.000 HIS 98 0.900 22.566 43.329 7.723 -99.200 -91.000 PHE 106 1.000 16.887 35.992 7.804 -99.200 -91.000 TRP 129 1.040 7.813 30.910 10.383 -99.200 -91.000 TRP6 129 1.020 10.099 31.247 9.913 -99.200 -91.000