============================================================================= 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 3 1.000 37.521 2.813 17.118 -99.200 -91.000 TYR 16 0.840 43.946 20.278 15.153 -99.200 -91.000 TYR 22 0.840 34.254 25.899 11.411 -99.200 -91.000 TYR 23 0.840 39.791 28.359 18.020 -99.200 -91.000 HIS 29 0.900 35.431 16.190 20.603 -99.200 -91.000 PHE 65 1.000 39.420 7.975 16.602 -99.200 -91.000 TYR 86 0.840 26.649 1.292 8.821 -99.200 -91.000 PHE 102 1.000 35.360 11.443 13.512 -99.200 -91.000 PHE 111 1.000 28.567 13.833 0.402 -99.200 -91.000 TRP 122 1.040 30.528 -1.581 -5.781 -99.200 -91.000 TRP6 122 1.020 29.374 -0.961 -3.810 -99.200 -91.000 TRP 134 1.040 34.332 14.837 1.691 -99.200 -91.000 TRP6 134 1.020 34.165 12.830 0.457 -99.200 -91.000 TYR 135 0.840 37.596 15.071 -5.732 -99.200 -91.000 PHE 149 1.000 31.651 5.384 0.701 -99.200 -91.000 TRP 154 1.040 40.608 -2.032 4.982 -99.200 -91.000 TRP6 154 1.020 39.575 -0.086 5.848 -99.200 -91.000 TYR 157 0.840 42.284 5.225 4.299 -99.200 -91.000