============================================================================= 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 4 1.000 38.040 2.837 16.907 -99.200 -91.000 TYR 18 0.840 44.036 20.330 15.050 -99.200 -91.000 TYR 24 0.840 34.213 25.659 11.378 -99.200 -91.000 TYR 25 0.840 39.705 28.247 17.924 -99.200 -91.000 HIS 31 0.900 35.678 16.060 20.493 -99.200 -91.000 PHE 67 1.000 39.799 7.974 16.463 -99.200 -91.000 TYR 88 0.840 26.892 0.689 9.444 -99.200 -91.000 PHE 104 1.000 35.889 11.366 13.560 -99.200 -91.000 PHE 114 1.000 27.868 14.081 -0.068 -99.200 -91.000 TRP 126 1.040 30.447 -1.586 -5.686 -99.200 -91.000 TRP6 126 1.020 29.329 -1.022 -3.694 -99.200 -91.000 TRP 138 1.040 34.116 14.849 1.750 -99.200 -91.000 TRP6 138 1.020 33.844 12.835 0.578 -99.200 -91.000 TYR 139 0.840 37.412 15.042 -5.470 -99.200 -91.000 PHE 153 1.000 31.476 5.287 0.679 -99.200 -91.000 TRP 158 1.040 40.620 -1.848 4.914 -99.200 -91.000 TRP6 158 1.020 39.660 0.108 5.779 -99.200 -91.000 TYR 161 0.840 42.124 5.398 4.194 -99.200 -91.000