============================================================================= 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. TRP 7 1.040 22.039 20.445 -4.436 -99.200 -91.000 TRP6 7 1.020 20.281 21.982 -4.800 -99.200 -91.000 HIS 12 0.900 30.233 36.612 -15.882 -99.200 -91.000 HIS 23 0.900 17.966 17.901 -6.495 -99.200 -91.000 TYR 28 0.840 14.782 24.211 -5.939 -99.200 -91.000 TYR 44 0.840 26.284 34.314 3.201 -99.200 -91.000 PHE 45 1.000 24.123 29.818 -3.871 -99.200 -91.000 TRP 53 1.040 17.186 22.926 -1.132 -99.200 -91.000 TRP6 53 1.020 15.020 22.011 -1.302 -99.200 -91.000 HIS 59 0.900 30.493 18.704 -12.592 -99.200 -91.000 PHE 66 1.000 33.050 24.029 -6.668 -99.200 -91.000 TRP 75 1.040 36.486 20.382 7.690 -99.200 -91.000 TRP6 75 1.020 36.119 21.891 9.462 -99.200 -91.000 TRP 76 1.040 30.984 24.333 10.188 -99.200 -91.000 TRP6 76 1.020 28.638 24.395 10.007 -99.200 -91.000 PHE 83 1.000 36.080 13.832 -7.241 -99.200 -91.000 TYR 87 0.840 33.920 21.230 -19.557 -99.200 -91.000 HIS 108 0.900 17.236 48.177 -8.016 -99.200 -91.000 PHE 118 1.000 6.645 32.450 -8.000 -99.200 -91.000 HIS 120 0.900 13.876 26.247 -14.129 -99.200 -91.000 TYR 127 0.840 4.931 14.942 -9.916 -99.200 -91.000