============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 9 1.040 20.764 2.064 15.574 -99.200 -91.000 TRP6 9 1.020 23.081 1.933 16.034 -99.200 -91.000 TYR 17 0.840 12.723 5.675 23.694 -99.200 -91.000 TRP 31 1.040 25.479 14.769 15.672 -99.200 -91.000 TRP6 31 1.020 24.542 12.672 15.131 -99.200 -91.000 PHE 52 1.000 20.926 4.860 20.995 -99.200 -91.000 TRP 67 1.040 22.084 0.801 22.990 -99.200 -91.000 TRP6 67 1.020 22.090 1.321 20.680 -99.200 -91.000 PHE 75 1.000 14.159 -7.491 10.994 -99.200 -91.000 PHE 78 1.000 19.288 -1.772 8.067 -99.200 -91.000 TRP 81 1.040 13.956 4.076 6.277 -99.200 -91.000 TRP6 81 1.020 15.292 5.572 7.524 -99.200 -91.000 PHE 82 1.000 19.092 1.251 4.399 -99.200 -91.000 TYR 85 0.840 21.157 -6.013 1.909 -99.200 -91.000 PHE 86 1.000 16.009 -6.316 6.193 -99.200 -91.000 PHE 94 1.000 16.840 -11.497 7.608 -99.200 -91.000 HIS 102 0.900 25.877 -8.051 10.198 -99.200 -91.000 TYR 131 0.840 26.967 -8.914 19.125 -99.200 -91.000 TYR 138 0.840 27.091 -8.820 25.213 -99.200 -91.000 TYR 140 0.840 20.495 -2.598 17.047 -99.200 -91.000 PHE 141 1.000 22.452 -11.215 18.525 -99.200 -91.000 PHE 144 1.000 17.859 -5.471 13.160 -99.200 -91.000 PHE 151 1.000 10.149 -7.862 7.072 -99.200 -91.000 PHE 152 1.000 12.004 -12.807 7.342 -99.200 -91.000 PHE 169 1.000 37.136 -10.664 18.152 -99.200 -91.000 PHE 178 1.000 12.964 -20.636 13.333 -99.200 -91.000 PHE 183 1.000 17.328 -25.996 10.350 -99.200 -91.000 TYR 185 0.840 18.067 -34.792 12.885 -99.200 -91.000