============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 21 1.040 17.232 -9.632 21.253 -99.200 -91.000 TRP6 21 1.020 19.184 -8.510 20.519 -99.200 -91.000 TYR 40 0.840 15.422 -3.040 37.073 -99.200 -91.000 HIS 42 0.900 10.996 1.442 30.738 -99.200 -91.000 HIS 47 0.900 4.592 -11.660 18.373 -99.200 -91.000 TYR 49 0.840 12.848 -8.069 22.112 -99.200 -91.000 PHE 74 1.000 5.895 4.065 30.280 -99.200 -91.000 TRP 80 1.040 9.103 -8.667 13.288 -99.200 -91.000 TRP6 80 1.020 11.154 -7.657 13.872 -99.200 -91.000 TYR 83 0.840 2.746 -9.452 13.273 -99.200 -91.000 HIS 84 0.900 6.107 -1.735 9.834 -99.200 -91.000 TYR 104 0.840 -2.856 0.471 31.018 -99.200 -91.000 TYR 108 0.840 2.255 -2.162 19.834 -99.200 -91.000 HIS 111 0.900 11.384 -4.470 17.640 -99.200 -91.000 TRP 112 1.040 13.990 -3.071 13.689 -99.200 -91.000 TRP6 112 1.020 16.185 -2.232 13.488 -99.200 -91.000 PHE 116 1.000 11.353 -7.066 7.830 -99.200 -91.000 PHE 122 1.000 8.477 -13.493 14.751 -99.200 -91.000 PHE 123 1.000 14.506 -10.495 10.840 -99.200 -91.000 TRP 142 1.040 2.104 8.227 13.862 -99.200 -91.000 TRP6 142 1.020 3.408 7.310 15.601 -99.200 -91.000 PHE 162 1.000 10.218 5.041 12.512 -99.200 -91.000 HIS 164 0.900 17.117 15.007 10.688 -99.200 -91.000 TYR 178 0.840 -3.600 10.671 19.589 -99.200 -91.000 HIS 188 0.900 26.951 1.504 22.044 -99.200 -91.000 TYR 190 0.840 33.240 1.300 22.714 -99.200 -91.000 TYR 199 0.840 14.737 15.924 13.883 -99.200 -91.000 TYR 210 0.840 18.496 -0.511 20.106 -99.200 -91.000 TRP 220 1.040 25.211 -9.142 15.788 -99.200 -91.000 TRP6 220 1.020 22.888 -9.395 16.038 -99.200 -91.000 HIS 241 0.900 32.108 9.117 39.565 -99.200 -91.000 PHE 252 1.000 27.534 8.381 28.045 -99.200 -91.000 PHE 274 1.000 15.655 0.525 40.259 -99.200 -91.000 PHE 277 1.000 17.403 5.566 39.731 -99.200 -91.000 PHE 279 1.000 27.197 6.564 39.541 -99.200 -91.000 TYR 292 0.840 36.131 6.957 26.372 -99.200 -91.000 TRP 296 1.040 30.727 -1.908 17.124 -99.200 -91.000 TRP6 296 1.020 29.857 -2.792 19.105 -99.200 -91.000 HIS 307 0.900 11.929 -2.079 3.804 -99.200 -91.000 TYR 310 0.840 19.324 -1.390 7.234 -99.200 -91.000 PHE 312 1.000 20.165 1.797 12.004 -99.200 -91.000 HIS 313 0.900 21.361 2.201 3.354 -99.200 -91.000 PHE 316 1.000 21.225 13.897 11.791 -99.200 -91.000