============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 7 0.840 14.687 23.765 24.808 -99.200 -91.000 HIS 48 0.900 8.094 5.851 32.051 -99.200 -91.000 TYR 59 0.840 -3.645 19.687 43.694 -99.200 -91.000 HIS 68 0.900 10.409 5.008 36.493 -99.200 -91.000 HIS 74 0.900 14.163 2.824 34.379 -99.200 -91.000 TYR 75 0.840 17.682 8.790 39.385 -99.200 -91.000 TRP 78 1.040 12.430 17.111 37.213 -99.200 -91.000 TRP6 78 1.020 14.369 16.863 35.877 -99.200 -91.000 TYR 88 0.840 5.350 25.506 44.995 -99.200 -91.000 PHE 91 1.000 16.008 19.104 41.270 -99.200 -91.000 PHE 102 1.000 5.087 18.957 44.330 -99.200 -91.000 TYR 114 0.840 14.191 13.918 32.041 -99.200 -91.000 HIS 118 0.900 11.790 4.330 30.145 -99.200 -91.000 HIS 120 0.900 9.144 17.456 30.839 -99.200 -91.000 TRP 121 1.040 7.046 10.171 30.341 -99.200 -91.000 TRP6 121 1.020 5.616 9.112 28.782 -99.200 -91.000