============================================================================= 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. HIS 21 0.900 -5.379 -21.423 -5.483 -99.200 -91.000 PHE 23 1.000 0.056 -23.262 -8.008 -99.200 -91.000 TRP 31 1.040 4.892 -24.371 -12.441 -99.200 -91.000 TRP6 31 1.020 6.205 -22.685 -11.471 -99.200 -91.000 PHE 34 1.000 5.862 -21.572 -0.385 -99.200 -91.000 HIS 46 0.900 -0.560 -8.354 5.080 -99.200 -91.000 PHE 54 1.000 9.237 -16.418 -0.108 -99.200 -91.000 TYR 59 0.840 8.911 -19.514 -3.813 -99.200 -91.000 TYR 68 0.840 -12.257 -8.418 -8.087 -99.200 -91.000 TRP 69 1.040 -12.058 -8.601 -13.420 -99.200 -91.000 TRP6 69 1.020 -12.652 -6.407 -12.790 -99.200 -91.000 PHE 77 1.000 -8.180 -11.336 -23.636 -99.200 -91.000 HIS 78 0.900 -5.879 -10.531 -19.251 -99.200 -91.000 HIS 80 0.900 -4.288 -18.190 -14.683 -99.200 -91.000 PHE 85 1.000 8.085 -13.969 -6.952 -99.200 -91.000 TYR 95 0.840 11.103 -11.707 -2.850 -99.200 -91.000 TYR 104 0.840 -12.124 -7.480 -22.608 -99.200 -91.000 TYR 106 0.840 -2.513 -9.314 -15.776 -99.200 -91.000