============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 21 0.840 10.403 3.810 19.260 -99.200 -91.000 TYR 31 0.840 17.922 10.027 3.985 -99.200 -91.000 PHE 32 1.000 25.302 5.899 7.350 -99.200 -91.000 TYR 36 0.840 22.230 13.372 23.206 -99.200 -91.000 HIS 47 0.900 23.069 21.897 29.206 -99.200 -91.000 PHE 49 1.000 27.175 13.986 22.143 -99.200 -91.000 TYR 53 0.840 22.668 14.700 18.175 -99.200 -91.000 HIS 54 0.900 21.004 20.148 18.985 -99.200 -91.000 PHE 71 1.000 23.288 14.512 12.925 -99.200 -91.000 PHE 72 1.000 15.810 10.049 13.301 -99.200 -91.000 HIS 93 0.900 23.050 4.719 26.398 -99.200 -91.000 TYR 97 0.840 19.620 2.449 15.606 -99.200 -91.000 PHE 108 1.000 16.786 0.773 10.533 -99.200 -91.000 TRP 110 1.040 15.868 3.996 15.056 -99.200 -91.000 TRP6 110 1.020 14.943 5.962 15.964 -99.200 -91.000 PHE 115 1.000 23.099 0.136 19.137 -99.200 -91.000 TYR 116 0.840 28.751 2.014 12.771 -99.200 -91.000 TYR 118 0.840 31.276 10.162 20.452 -99.200 -91.000 PHE 131 1.000 28.448 13.121 17.709 -99.200 -91.000 PHE 134 1.000 30.489 7.376 16.513 -99.200 -91.000 PHE 148 1.000 44.407 23.952 20.040 -99.200 -91.000