============================================================================= 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 -5.285 -21.448 -5.537 -99.200 -91.000 PHE 23 1.000 0.152 -23.252 -8.061 -99.200 -91.000 TRP 31 1.040 4.765 -24.077 -12.390 -99.200 -91.000 TRP6 31 1.020 6.224 -22.521 -11.406 -99.200 -91.000 PHE 34 1.000 5.903 -21.617 -0.342 -99.200 -91.000 HIS 46 0.900 -0.712 -8.296 5.285 -99.200 -91.000 PHE 54 1.000 9.255 -16.435 -0.160 -99.200 -91.000 TYR 59 0.840 9.037 -19.541 -3.813 -99.200 -91.000 TYR 68 0.840 -12.322 -8.643 -8.111 -99.200 -91.000 TRP 69 1.040 -12.051 -8.748 -13.466 -99.200 -91.000 TRP6 69 1.020 -12.632 -6.563 -12.789 -99.200 -91.000 PHE 77 1.000 -8.091 -11.324 -23.665 -99.200 -91.000 HIS 78 0.900 -5.832 -10.504 -19.294 -99.200 -91.000 HIS 80 0.900 -4.129 -18.157 -14.648 -99.200 -91.000 PHE 85 1.000 8.273 -13.969 -6.873 -99.200 -91.000 TYR 95 0.840 11.062 -11.607 -2.796 -99.200 -91.000 TYR 104 0.840 -12.045 -7.367 -22.590 -99.200 -91.000 TYR 106 0.840 -2.457 -9.345 -15.811 -99.200 -91.000