============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 32 0.840 7.695 25.697 12.223 -99.200 -91.000 TRP 33 1.040 11.950 17.774 8.868 -99.200 -91.000 TRP6 33 1.020 11.485 17.407 11.159 -99.200 -91.000 TRP 37 1.040 4.538 18.523 2.052 -99.200 -91.000 TRP6 37 1.020 4.067 16.461 3.110 -99.200 -91.000 TRP 45 1.040 -2.300 16.634 0.648 -99.200 -91.000 TRP6 45 1.020 -1.982 18.444 -0.839 -99.200 -91.000 TYR 47 0.840 8.220 13.673 3.066 -99.200 -91.000 PHE 73 1.000 7.723 15.086 -5.364 -99.200 -91.000 PHE 76 1.000 10.014 7.856 -0.178 -99.200 -91.000 PHE 78 1.000 1.029 9.731 8.057 -99.200 -91.000 TRP 83 1.040 1.850 8.021 -4.386 -99.200 -91.000 TRP6 83 1.020 -0.316 7.280 -3.810 -99.200 -91.000 PHE 112 1.000 7.859 22.323 -10.881 -99.200 -91.000 HIS 114 0.900 2.458 25.541 -17.814 -99.200 -91.000 HIS 115 0.900 6.177 28.519 -22.331 -99.200 -91.000