============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 6 0.900 -8.326 82.899 19.189 -99.200 -91.000 TYR 9 0.840 -2.901 67.551 20.167 -99.200 -91.000 PHE 12 1.000 0.810 64.259 13.363 -99.200 -91.000 TRP 17 1.040 -1.170 63.272 7.425 -99.200 -91.000 TRP6 17 1.020 -0.316 65.380 8.082 -99.200 -91.000 TRP 20 1.040 2.099 54.638 5.892 -99.200 -91.000 TRP6 20 1.020 1.570 56.011 4.013 -99.200 -91.000 TYR 27 0.840 0.981 70.010 14.466 -99.200 -91.000 TYR 30 0.840 -0.356 77.281 20.255 -99.200 -91.000 TYR 31 0.840 -8.214 79.287 15.781 -99.200 -91.000 PHE 38 1.000 -8.056 103.331 12.940 -99.200 -91.000 TYR 43 0.840 -0.853 91.281 22.522 -99.200 -91.000 HIS 49 0.900 -1.274 98.174 2.773 -99.200 -91.000 HIS 57 0.900 -13.864 99.248 6.511 -99.200 -91.000 PHE 58 1.000 -13.710 107.013 10.653 -99.200 -91.000 TYR 81 0.840 8.551 59.530 7.305 -99.200 -91.000 PHE 82 1.000 7.838 52.090 11.430 -99.200 -91.000 TYR 93 0.840 6.321 66.987 7.251 -99.200 -91.000 HIS 104 0.900 2.188 91.709 9.664 -99.200 -91.000