Author: bugman
Date: Fri Feb 6 11:57:46 2009
New Revision: 8750
URL: http://svn.gna.org/viewcvs/relax?rev=8750&view=rev
Log:
Added a PDB file containing the N, H, and calcium atoms of Bax's 1J7P
structure.
This will be used in the creation and testing of optimisation of alignment
tensors from RDCs and
PCSs.
Added:
1.3/test_suite/shared_data/structures/bax_C_1J7P_N_H_Ca.pdb
Added: 1.3/test_suite/shared_data/structures/bax_C_1J7P_N_H_Ca.pdb
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/structures/bax_C_1J7P_N_H_Ca.pdb?rev=8750&view=auto
==============================================================================
--- 1.3/test_suite/shared_data/structures/bax_C_1J7P_N_H_Ca.pdb (added)
+++ 1.3/test_suite/shared_data/structures/bax_C_1J7P_N_H_Ca.pdb Fri Feb 6
11:57:46 2009
@@ -1,0 +1,137 @@
+ATOM 1 N GLU A 82 34.183 -0.549 20.134 1.00 1.00
N
+ATOM 15 N GLU A 83 36.503 -2.172 20.540 1.00 1.00
N
+ATOM 24 H GLU A 83 36.691 -1.295 20.144 1.00 0.00
H
+ATOM 30 N GLU A 84 36.514 -2.072 23.306 1.00 1.00
N
+ATOM 39 H GLU A 84 36.344 -1.250 22.800 1.00 0.00
H
+ATOM 45 N ILE A 85 34.140 -3.404 23.863 1.00 1.00
N
+ATOM 53 H ILE A 85 34.133 -2.745 23.137 1.00 0.00
H
+ATOM 64 N ARG A 86 34.688 -5.883 22.656 1.00 1.00
N
+ATOM 75 H ARG A 86 34.896 -5.077 22.139 1.00 0.00
H
+ATOM 88 N GLU A 87 37.072 -6.673 24.031 1.00 1.00
N
+ATOM 97 H GLU A 87 37.119 -5.774 23.643 1.00 0.00
H
+ATOM 103 N ALA A 88 35.976 -6.729 26.587 1.00 1.00
N
+ATOM 108 H ALA A 88 35.798 -5.934 26.042 1.00 0.00
H
+ATOM 113 N PHE A 89 34.100 -8.711 26.113 1.00 1.00
N
+ATOM 124 H PHE A 89 34.212 -8.017 25.430 1.00 0.00
H
+ATOM 133 N ARG A 90 35.816 -10.864 25.665 1.00 1.00
N
+ATOM 144 H ARG A 90 36.061 -9.992 25.291 1.00 0.00
H
+ATOM 157 N VAL A 91 36.931 -11.006 28.153 1.00 1.00
N
+ATOM 164 H VAL A 91 36.691 -10.144 27.752 1.00 0.00
H
+ATOM 173 N PHE A 92 34.870 -11.978 29.748 1.00 1.00
N
+ATOM 184 H PHE A 92 34.661 -11.374 29.004 1.00 0.00
H
+ATOM 193 N ASP A 93 34.523 -14.406 28.597 1.00 1.00
N
+ATOM 201 H ASP A 93 34.842 -13.618 28.109 1.00 0.00
H
+ATOM 205 N LYS A 94 35.770 -16.824 29.904 1.00 1.00
N
+ATOM 214 H LYS A 94 34.903 -16.700 30.344 1.00 0.00
H
+ATOM 227 N ASP A 95 36.649 -19.406 29.203 1.00 1.00
N
+ATOM 235 H ASP A 95 35.688 -19.216 29.229 1.00 0.00
H
+ATOM 239 N GLY A 96 37.291 -18.980 26.616 1.00 1.00
N
+ATOM 243 H GLY A 96 36.872 -18.341 27.229 1.00 0.00
H
+ATOM 246 N ASN A 97 35.640 -19.760 24.612 1.00 1.00
N
+ATOM 254 H ASN A 97 35.363 -19.629 25.543 1.00 0.00
H
+ATOM 260 N GLY A 98 34.226 -18.261 22.872 1.00 1.00
N
+ATOM 264 H GLY A 98 34.816 -17.918 23.576 1.00 0.00
H
+ATOM 267 N TYR A 99 31.681 -17.670 23.445 1.00 1.00
N
+ATOM 278 H TYR A 99 32.298 -18.211 23.981 1.00 0.00
H
+ATOM 286 N ILE A 100 29.368 -16.422 25.864 1.00 1.00
N
+ATOM 294 H ILE A 100 28.811 -15.908 25.244 1.00 0.00
H
+ATOM 305 N SER A 101 28.359 -17.857 28.833 1.00 1.00
N
+ATOM 311 H SER A 101 29.281 -17.944 29.154 1.00 0.00
H
+ATOM 316 N ALA A 102 25.370 -18.310 30.853 1.00 1.00
N
+ATOM 321 H ALA A 102 24.962 -19.071 30.388 1.00 0.00
H
+ATOM 326 N ALA A 103 25.941 -18.767 33.573 1.00 1.00
N
+ATOM 331 H ALA A 103 25.826 -19.559 33.008 1.00 0.00
H
+ATOM 336 N GLU A 104 28.519 -17.833 33.548 1.00 1.00
N
+ATOM 345 H GLU A 104 28.148 -18.298 32.769 1.00 0.00
H
+ATOM 351 N LEU A 105 28.022 -15.193 33.232 1.00 1.00
N
+ATOM 359 H LEU A 105 27.476 -15.862 32.768 1.00 0.00
H
+ATOM 370 N ARG A 106 26.959 -14.637 35.685 1.00 1.00
N
+ATOM 381 H ARG A 106 26.762 -15.489 35.239 1.00 0.00
H
+ATOM 394 N HIS A 107 29.209 -14.834 37.245 1.00 1.00
N
+ATOM 404 H HIS A 107 29.093 -15.418 36.461 1.00 0.00
H
+ATOM 411 N VAL A 108 30.817 -12.640 36.382 1.00 1.00
N
+ATOM 418 H VAL A 108 30.481 -13.207 35.655 1.00 0.00
H
+ATOM 427 N MET A 109 28.991 -10.495 36.784 1.00 1.00
N
+ATOM 435 H MET A 109 28.657 -11.256 36.264 1.00 0.00
H
+ATOM 444 N THR A 110 28.368 -10.819 39.522 1.00 1.00
N
+ATOM 451 H THR A 110 28.403 -11.622 38.961 1.00 0.00
H
+ATOM 458 N ASN A 111 30.892 -10.443 40.812 1.00 1.00
N
+ATOM 466 H ASN A 111 30.904 -11.032 40.027 1.00 0.00
H
+ATOM 472 N LEU A 112 31.455 -7.990 39.760 1.00 1.00
N
+ATOM 480 H LEU A 112 30.991 -8.689 39.253 1.00 0.00
H
+ATOM 491 N GLY A 113 29.968 -6.414 41.270 1.00 1.00
N
+ATOM 495 H GLY A 113 30.083 -7.384 41.337 1.00 0.00
H
+ATOM 498 N GLU A 114 27.318 -6.515 40.923 1.00 1.00
N
+ATOM 507 H GLU A 114 28.013 -6.847 40.317 1.00 0.00
H
+ATOM 513 N LYS A 115 24.673 -8.394 41.958 1.00 1.00
N
+ATOM 522 H LYS A 115 24.256 -7.629 42.408 1.00 0.00
H
+ATOM 535 N LEU A 116 22.933 -10.899 40.703 1.00 1.00
N
+ATOM 543 H LEU A 116 23.784 -11.228 40.346 1.00 0.00
H
+ATOM 554 N THR A 117 20.021 -12.994 40.433 1.00 1.00
N
+ATOM 561 H THR A 117 19.356 -12.295 40.263 1.00 0.00
H
+ATOM 568 N ASP A 118 19.490 -16.470 39.491 1.00 1.00
N
+ATOM 576 H ASP A 118 19.469 -16.919 40.362 1.00 0.00
H
+ATOM 580 N GLU A 119 17.221 -16.413 37.940 1.00 1.00
N
+ATOM 589 H GLU A 119 17.161 -16.381 38.918 1.00 0.00
H
+ATOM 595 N GLU A 120 16.936 -13.712 37.263 1.00 1.00
N
+ATOM 604 H GLU A 120 17.168 -13.933 38.189 1.00 0.00
H
+ATOM 610 N VAL A 121 19.154 -13.450 35.645 1.00 1.00
N
+ATOM 617 H VAL A 121 19.203 -14.012 36.447 1.00 0.00
H
+ATOM 626 N ASP A 122 18.413 -15.196 33.721 1.00 1.00
N
+ATOM 634 H ASP A 122 18.243 -15.395 34.665 1.00 0.00
H
+ATOM 638 N GLU A 123 16.390 -13.749 32.555 1.00 1.00
N
+ATOM 647 H GLU A 123 16.453 -13.733 33.533 1.00 0.00
H
+ATOM 653 N MET A 124 17.892 -11.635 31.435 1.00 1.00
N
+ATOM 661 H MET A 124 18.106 -11.867 32.367 1.00 0.00
H
+ATOM 670 N ILE A 125 19.523 -13.137 29.734 1.00 1.00
N
+ATOM 678 H ILE A 125 19.404 -13.446 30.655 1.00 0.00
H
+ATOM 689 N ARG A 126 17.609 -14.462 28.114 1.00 1.00
N
+ATOM 700 H ARG A 126 17.461 -14.536 29.080 1.00 0.00
H
+ATOM 713 N GLU A 127 16.481 -12.189 26.974 1.00 1.00
N
+ATOM 722 H GLU A 127 16.727 -12.173 27.922 1.00 0.00
H
+ATOM 728 N ALA A 128 18.674 -11.022 25.670 1.00 1.00
N
+ATOM 733 H ALA A 128 18.809 -11.340 26.587 1.00 0.00
H
+ATOM 738 N ASP A 129 19.496 -13.208 24.293 1.00 1.00
N
+ATOM 746 H ASP A 129 19.018 -13.241 25.147 1.00 0.00
H
+ATOM 750 N ILE A 130 18.954 -14.069 21.174 1.00 1.00
N
+ATOM 758 H ILE A 130 19.896 -13.845 21.019 1.00 0.00
H
+ATOM 769 N ASP A 131 18.814 -16.206 19.436 1.00 1.00
N
+ATOM 777 H ASP A 131 19.649 -15.964 19.888 1.00 0.00
H
+ATOM 781 N GLY A 132 17.817 -18.074 20.999 1.00 1.00
N
+ATOM 785 H GLY A 132 17.973 -17.129 21.206 1.00 0.00
H
+ATOM 788 N ASP A 133 19.516 -19.848 22.161 1.00 1.00
N
+ATOM 796 H ASP A 133 19.799 -18.994 21.774 1.00 0.00
H
+ATOM 800 N GLY A 134 20.357 -19.888 24.690 1.00 1.00
N
+ATOM 804 H GLY A 134 19.916 -19.142 24.232 1.00 0.00
H
+ATOM 807 N GLN A 135 22.572 -18.634 25.569 1.00 1.00
N
+ATOM 816 H GLN A 135 22.210 -18.618 24.658 1.00 0.00
H
+ATOM 824 N VAL A 136 24.898 -15.807 25.453 1.00 1.00
N
+ATOM 831 H VAL A 136 25.450 -15.994 26.242 1.00 0.00
H
+ATOM 840 N ASN A 137 26.164 -14.351 22.564 1.00 1.00
N
+ATOM 848 H ASN A 137 25.271 -14.165 22.207 1.00 0.00
H
+ATOM 854 N TYR A 138 28.911 -12.714 20.791 1.00 1.00
N
+ATOM 865 H TYR A 138 29.405 -13.477 20.424 1.00 0.00
H
+ATOM 873 N GLU A 139 27.706 -10.881 18.919 1.00 1.00
N
+ATOM 882 H GLU A 139 27.887 -11.773 18.560 1.00 0.00
H
+ATOM 888 N GLU A 140 25.096 -10.634 20.005 1.00 1.00
N
+ATOM 897 H GLU A 140 25.454 -11.541 19.903 1.00 0.00
H
+ATOM 903 N PHE A 141 25.777 -9.665 22.524 1.00 1.00
N
+ATOM 914 H PHE A 141 26.315 -10.384 22.133 1.00 0.00
H
+ATOM 923 N VAL A 142 26.845 -7.154 21.884 1.00 1.00
N
+ATOM 930 H VAL A 142 27.127 -7.910 21.327 1.00 0.00
H
+ATOM 939 N GLN A 143 24.545 -5.830 20.826 1.00 1.00
N
+ATOM 948 H GLN A 143 24.716 -6.711 20.429 1.00 0.00
H
+ATOM 956 N MET A 144 22.888 -5.959 23.118 1.00 1.00
N
+ATOM 964 H MET A 144 23.370 -6.773 22.863 1.00 0.00
H
+ATOM 973 N MET A 145 24.353 -4.423 24.998 1.00 1.00
N
+ATOM 981 H MET A 145 24.852 -5.050 24.434 1.00 0.00
H
+ATOM 990 N THR A 146 24.889 -2.281 23.429 1.00 1.00
N
+ATOM 997 H THR A 146 24.779 -3.202 23.111 1.00 0.00
H
+ATOM 1004 N ALA A 147 22.444 -1.488 22.654 1.00 1.00
N
+ATOM 1009 H ALA A 147 22.644 -1.898 23.522 1.00 0.00
H
+ATOM 1014 N LYS A 148 20.905 0.465 20.617 1.00 1.00
N
+ATOM 1022 H LYS A 148 21.239 -0.167 19.946 1.00 0.00
H
+TER 1035 LYS A 148
+HETATM 1036 CA CA A1000 32.555 -19.130 27.775 1.00 1.00
CA
+HETATM 1037 CA CA A1001 22.605 -16.626 21.587 1.00 1.00
CA
+END
r8750 - /1.3/test_suite/shared_data/structures/bax_C_1J7P_N_H_Ca.pdb