============================================================================= 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 7 0.900 29.653 -66.726 47.054 -99.200 -91.000 TRP 32 1.040 29.953 -57.735 68.157 -99.200 -91.000 TRP6 32 1.020 28.191 -58.301 66.705 -99.200 -91.000 TRP 50 1.040 25.153 -71.645 63.608 -99.200 -91.000 TRP6 50 1.020 24.621 -69.372 63.346 -99.200 -91.000 TYR 60 0.840 23.790 -64.967 65.145 -99.200 -91.000 PHE 64 1.000 32.989 -62.195 54.345 -99.200 -91.000 TYR 69 0.840 42.630 -63.036 48.861 -99.200 -91.000 PHE 70 1.000 42.816 -57.795 48.337 -99.200 -91.000 PHE 78 1.000 39.717 -46.945 53.003 -99.200 -91.000 PHE 79 1.000 37.564 -51.627 52.352 -99.200 -91.000 PHE 86 1.000 24.537 -62.378 59.185 -99.200 -91.000 HIS 87 0.900 18.232 -57.184 62.177 -99.200 -91.000 HIS 94 0.900 21.302 -71.209 52.379 -99.200 -91.000 TYR 95 0.840 19.229 -66.169 57.898 -99.200 -91.000 HIS 96 0.900 25.227 -68.239 49.657 -99.200 -91.000 TYR 104 0.840 43.150 -49.255 47.858 -99.200 -91.000 TYR 106 0.840 33.412 -54.005 51.941 -99.200 -91.000 TYR 109 0.840 25.139 -60.530 46.875 -99.200 -91.000