============================================================================= 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. TYR 6 0.840 -22.885 31.210 32.837 -99.200 -91.000 HIS 14 0.900 -31.913 21.926 28.237 -99.200 -91.000 PHE 23 1.000 -11.204 22.169 29.957 -99.200 -91.000 TYR 24 0.840 -16.351 28.635 30.010 -99.200 -91.000 TYR 25 0.840 -17.771 20.096 30.188 -99.200 -91.000 TYR 28 0.840 -31.053 19.327 23.100 -99.200 -91.000 PHE 45 1.000 -21.659 24.399 13.400 -99.200 -91.000 PHE 67 1.000 -24.333 15.335 10.480 -99.200 -91.000 TRP 71 1.040 -24.448 8.002 3.986 -99.200 -91.000 TRP6 71 1.020 -22.498 7.260 2.856 -99.200 -91.000 PHE 82 1.000 -16.369 26.009 14.101 -99.200 -91.000 TYR 86 0.840 -10.919 24.146 10.298 -99.200 -91.000 PHE 96 1.000 -31.761 14.431 15.751 -99.200 -91.000 HIS 98 0.900 -39.311 18.246 15.638 -99.200 -91.000 HIS 99 0.900 -42.251 16.991 12.294 -99.200 -91.000 PHE 107 1.000 -25.672 19.562 12.763 -99.200 -91.000 TYR 114 0.840 -8.428 25.922 28.161 -99.200 -91.000 HIS 117 0.900 -8.163 34.354 36.423 -99.200 -91.000