============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 1 0.900 6.678 55.871 21.815 -99.200 -91.000 HIS 15 0.900 22.865 46.596 -2.930 -99.200 -91.000 HIS 18 0.900 20.731 49.481 -1.478 -99.200 -91.000 TRP 26 1.040 16.155 52.956 7.880 -99.200 -91.000 TRP6 26 1.020 15.482 54.101 5.942 -99.200 -91.000 PHE 37 1.000 8.407 62.337 11.327 -99.200 -91.000 TYR 38 0.840 12.446 54.938 8.865 -99.200 -91.000 PHE 39 1.000 15.006 62.123 4.115 -99.200 -91.000 TRP 43 1.040 15.959 68.719 -3.749 -99.200 -91.000 TRP6 43 1.020 14.857 69.956 -2.086 -99.200 -91.000 HIS 44 0.900 21.431 64.954 1.139 -99.200 -91.000 HIS 49 0.900 24.704 59.517 -8.809 -99.200 -91.000 TYR 50 0.840 26.952 67.991 -11.228 -99.200 -91.000 TYR 59 0.840 17.462 54.699 -11.100 -99.200 -91.000 PHE 67 1.000 12.728 54.136 1.507 -99.200 -91.000 PHE 80 1.000 10.128 62.839 4.736 -99.200 -91.000 HIS 88 0.900 13.639 68.180 4.486 -99.200 -91.000 PHE 95 1.000 20.026 74.224 10.469 -99.200 -91.000 TYR 110 0.840 34.689 68.488 0.641 -99.200 -91.000 PHE 120 1.000 30.685 65.560 -2.014 -99.200 -91.000 TYR 123 0.840 25.543 64.478 0.835 -99.200 -91.000 TYR 134 0.840 11.013 66.019 8.894 -99.200 -91.000 TYR 147 0.840 34.123 60.752 11.217 -99.200 -91.000 HIS 148 0.900 27.908 63.474 6.240 -99.200 -91.000 PHE 159 1.000 18.349 78.155 14.850 -99.200 -91.000 TYR 161 0.840 26.214 81.445 22.108 -99.200 -91.000 TYR 163 0.840 20.241 82.985 15.015 -99.200 -91.000 PHE 167 1.000 16.569 73.379 14.913 -99.200 -91.000 TYR 192 0.840 34.435 46.220 -7.942 -99.200 -91.000 TRP 233 1.040 30.968 31.772 8.294 -99.200 -91.000 TRP6 233 1.020 29.570 30.137 9.262 -99.200 -91.000 TYR 235 0.840 26.284 37.320 0.171 -99.200 -91.000 HIS 236 0.900 25.071 29.571 4.881 -99.200 -91.000 PHE 239 1.000 20.018 36.932 2.995 -99.200 -91.000 TRP 248 1.040 25.337 20.107 7.815 -99.200 -91.000 TRP6 248 1.020 25.151 21.399 5.854 -99.200 -91.000 TRP 250 1.040 33.569 26.062 12.445 -99.200 -91.000 TRP6 250 1.020 34.242 28.245 11.890 -99.200 -91.000 TRP 279 1.040 11.681 38.078 -4.506 -99.200 -91.000 TRP6 279 1.020 12.415 35.840 -4.472 -99.200 -91.000 PHE 282 1.000 9.898 44.788 -4.572 -99.200 -91.000 HIS 290 0.900 -3.977 55.439 -9.715 -99.200 -91.000 TYR 291 0.840 0.079 50.877 -0.956 -99.200 -91.000 PHE 322 1.000 6.163 87.671 4.813 -99.200 -91.000