============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TRP 22 1.040 25.899 23.139 18.132 -99.200 -91.000 TRP6 22 1.020 26.370 23.104 20.458 -99.200 -91.000 PHE 23 1.000 26.029 22.721 13.655 -99.200 -91.000 TYR 28 0.840 12.541 31.740 3.287 -99.200 -91.000 TRP 51 1.040 15.903 38.416 7.158 -99.200 -91.000 TRP6 51 1.020 14.533 38.066 9.054 -99.200 -91.000 HIS 66 0.900 -0.099 34.578 7.937 -99.200 -91.000 PHE 67 1.000 4.171 40.541 8.283 -99.200 -91.000 TRP 70 1.040 8.229 30.182 4.786 -99.200 -91.000 TRP6 70 1.020 7.173 28.067 4.711 -99.200 -91.000 HIS 72 0.900 17.426 27.194 1.605 -99.200 -91.000 TYR 89 0.840 -10.031 50.906 8.937 -99.200 -91.000