============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 4 0.840 61.920 3.434 36.751 -99.200 -91.000 TYR 21 0.840 44.412 4.878 46.988 -99.200 -91.000 TYR 31 0.840 33.653 13.406 35.958 -99.200 -91.000 PHE 33 1.000 36.614 14.499 24.926 -99.200 -91.000 HIS 35 0.900 45.602 15.048 33.479 -99.200 -91.000 TYR 37 0.840 49.876 15.276 31.960 -99.200 -91.000 HIS 39 0.900 44.221 20.615 26.973 -99.200 -91.000 PHE 41 1.000 48.327 16.399 21.175 -99.200 -91.000 TYR 46 0.840 52.691 12.585 28.153 -99.200 -91.000 PHE 56 1.000 51.645 4.984 27.276 -99.200 -91.000 TYR 62 0.840 46.457 8.653 17.789 -99.200 -91.000 TRP 68 1.040 39.834 9.293 29.392 -99.200 -91.000 TRP6 68 1.020 37.929 8.478 28.253 -99.200 -91.000 PHE 71 1.000 50.613 8.834 25.188 -99.200 -91.000 HIS 83 0.900 46.682 -7.223 33.129 -99.200 -91.000 PHE 86 1.000 36.012 -10.380 28.852 -99.200 -91.000 PHE 88 1.000 30.517 0.310 34.182 -99.200 -91.000 HIS 102 0.900 42.857 1.242 34.884 -99.200 -91.000 HIS 105 0.900 40.271 0.103 29.717 -99.200 -91.000 PHE 107 1.000 39.710 1.256 23.572 -99.200 -91.000 TYR 119 0.840 49.122 0.876 23.711 -99.200 -91.000 PHE 128 1.000 55.167 16.608 28.944 -99.200 -91.000 TYR 138 0.840 62.353 9.760 34.142 -99.200 -91.000