Peptoid Boc-NPhe
N-tert-Butyloxycarbonyl-N-benzylglycine
PDB Coordinates
REMA Input SHELXS/L INS file: pphe.pdb
REMA Parameters were exchanged from INS file to PDB format at 5-AUG-97
REMA TITL Peptoide Boc-Phe-OH C14H19NO4 P21/a Z=4
REMA CELL 1.5418 13.3229 7.8005 15.3238 90. 110.499 90.
REMA ZERR 4 .0017 .0009 .0021 .0 .008 .0
REMA LATT 1
REMA SYMM 0.5-X,0.5+Y,-Z
REMA SFAC C H N O
REMA UNIT 56 76 4 16
REMA WGHT 0.106200 0.615000
REMA FVAR 4.14559
REMA
ATOM 1 C1B PPH 1 -5.277 1.985 1.546 1.00 7.92
ATOM 2 C2B PPH 1 -6.679 1.994 0.997 1.00 9.76
ATOM 3 H21 PPH 1 -6.656 1.805 0.056 1.00 3.95
ATOM 4 H22 PPH 1 -7.073 2.858 1.140 1.00 3.95
ATOM 5 H23 PPH 1 -7.203 1.326 1.445 1.00 3.95
ATOM 6 C3B PPH 1 -4.666 0.599 1.454 1.00 13.23
ATOM 7 H31 PPH 1 -4.550 0.361 0.531 1.00 3.95
ATOM 8 H32 PPH 1 -5.248 -0.035 1.878 1.00 3.95
ATOM 9 H33 PPH 1 -3.813 0.595 1.895 1.00 3.95
ATOM 10 C4T PPH 1 -4.422 3.048 0.919 1.00 15.08
ATOM 11 H41 PPH 1 -4.437 2.950 -0.035 1.00 3.95
ATOM 12 H42 PPH 1 -3.520 2.962 1.235 1.00 3.95
ATOM 13 H43 PPH 1 -4.763 3.914 1.157 1.00 3.95
ATOM 14 O5B PPH 1 -5.500 2.296 2.943 1.00 5.38
ATOM 15 C6B PPH 1 -4.480 2.428 3.801 1.00 4.72
ATOM 16 O6B PPH 1 -3.318 2.218 3.567 1.00 6.17
ATOM 17 N1 PPH 1 -4.932 2.823 5.006 1.00 5.02
ATOM 18 C1B PPH 1 -6.336 3.089 5.287 1.00 5.58
ATOM 19 H1B1PPH 1 -6.473 3.058 6.247 1.00 3.95
ATOM 20 H1B2PPH 1 -6.873 2.387 4.890 1.00 3.95
ATOM 21 C1G PPH 1 -6.821 4.422 4.772 1.00 4.69
ATOM 22 C1D1PPH 1 -8.021 4.519 4.119 1.00 6.41
ATOM 23 H1D1PPH 1 -8.526 3.755 3.960 1.00 3.95
ATOM 24 C1E1PPH 1 -8.486 5.766 3.693 1.00 8.12
ATOM 25 H1E1PPH 1 -9.301 5.830 3.248 1.00 3.95
ATOM 26 C1Z PPH 1 -7.743 6.898 3.929 1.00 8.19
ATOM 27 H1Z PPH 1 -8.056 7.729 3.652 1.00 3.95
ATOM 28 C1E2PPH 1 -6.565 6.796 4.561 1.00 7.76
ATOM 29 H1E2PPH 1 -6.060 7.562 4.715 1.00 3.95
ATOM 30 C1D2PPH 1 -6.092 5.573 4.986 1.00 6.35
ATOM 31 H1D2PPH 1 -5.272 5.523 5.421 1.00 3.95
ATOM 32 C1A PPH 1 -3.937 2.949 6.054 1.00 5.49
ATOM 33 H1A1PPH 1 -4.328 3.422 6.805 1.00 3.95
ATOM 34 H1A2PPH 1 -3.197 3.481 5.723 1.00 3.95
ATOM 35 C1 PPH 1 -3.414 1.627 6.529 1.00 4.34
ATOM 36 O1 PPH 1 -3.969 0.567 6.294 1.00 5.15
ATOM 37 O1T PPH 1 -2.344 1.739 7.249 1.00 5.58
ATOM 38 H1T PPH 1 -2.115 0.999 7.515 1.00 3.95
END
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