============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 21 0.840 25.040 4.587 30.174 -99.200 -91.000 PHE 24 1.000 21.931 1.124 31.332 -99.200 -91.000 TYR 26 0.840 31.032 -4.200 30.381 -99.200 -91.000 TYR 33 0.840 30.346 -4.298 20.984 -99.200 -91.000 PHE 36 1.000 19.344 -4.913 31.986 -99.200 -91.000 TRP 58 1.040 25.991 7.244 23.512 -99.200 -91.000 TRP6 58 1.020 23.844 6.320 23.846 -99.200 -91.000 PHE 64 1.000 15.117 4.545 13.402 -99.200 -91.000 PHE 69 1.000 19.961 0.867 14.816 -99.200 -91.000 TYR 86 0.840 6.417 3.033 16.108 -99.200 -91.000 PHE 87 1.000 12.815 5.729 22.230 -99.200 -91.000 TYR 91 0.840 16.033 -1.086 29.459 -99.200 -91.000 PHE 108 1.000 27.033 23.110 42.775 -99.200 -91.000 PHE 132 1.000 18.818 18.219 32.040 -99.200 -91.000 HIS 145 0.900 37.409 16.522 29.352 -99.200 -91.000 PHE 152 1.000 31.622 11.042 34.989 -99.200 -91.000 HIS 175 0.900 36.441 9.034 39.833 -99.200 -91.000 HIS 182 0.900 20.584 12.024 47.857 -99.200 -91.000 PHE 186 1.000 18.572 18.592 38.424 -99.200 -91.000 PHE 188 1.000 9.744 9.722 33.870 -99.200 -91.000 TYR 193 0.840 15.890 -2.946 25.414 -99.200 -91.000 PHE 201 1.000 11.685 -6.120 15.777 -99.200 -91.000 TYR 204 0.840 8.772 -11.774 19.368 -99.200 -91.000 TRP 208 1.040 12.304 -10.865 25.181 -99.200 -91.000 TRP6 208 1.020 13.559 -8.868 25.348 -99.200 -91.000 HIS 210 0.900 3.454 -7.452 30.446 -99.200 -91.000 HIS 223 0.900 24.982 -11.041 37.086 -99.200 -91.000 TRP 224 1.040 24.084 -7.701 33.529 -99.200 -91.000 TRP6 224 1.020 26.326 -7.751 32.780 -99.200 -91.000