Author: bugman
Date: Sun Mar 3 14:35:52 2013
New Revision: 18602
URL: http://svn.gna.org/viewcvs/relax?rev=18602&view=rev
Log:
Created a PDB file which is a translation of 1J7P_1st_NH_rot.pdb by the
vector [1, 2, 3].
This will be used for testing the optimisation of the translation parameters.
Added:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/1J7P_1st_NH_rot_trans.pdb
Added:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/1J7P_1st_NH_rot_trans.pdb
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/cam/1J7P_1st_NH_rot_trans.pdb?rev=18602&view=auto
==============================================================================
---
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/1J7P_1st_NH_rot_trans.pdb
(added)
+++
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/1J7P_1st_NH_rot_trans.pdb
Sun Mar 3 14:35:52 2013
@@ -1,0 +1,144 @@
+REMARK 4 THIS FILE COMPLIES WITH FORMAT V. 3.30, JUL-2011.
+REMARK 40 CREATED BY RELAX (HTTP://NMR-RELAX.COM).
+HET CA A1000 1
+HET CA A1001 1
+HETNAM CA UNKNOWN
+FORMUL 1 CA CA1
+ATOM 1 N GLU A 82 39.020 -1.010 22.764 1.00 0.00
N
+ATOM 2 N GLU A 83 39.601 1.439 24.123 1.00 0.00
N
+ATOM 3 H GLU A 83 38.894 1.513 23.448 1.00 0.00
H
+ATOM 4 N GLU A 84 38.587 0.711 26.593 1.00 0.00
N
+ATOM 5 H GLU A 84 38.078 0.490 25.785 1.00 0.00
H
+ATOM 6 N ILE A 85 40.329 -1.348 27.261 1.00 0.00
N
+ATOM 7 H ILE A 85 39.988 -1.320 26.343 1.00 0.00
H
+ATOM 8 N ARG A 86 42.764 0.057 27.226 1.00 0.00
N
+ATOM 9 H ARG A 86 42.155 0.197 26.471 1.00 0.00
H
+ATOM 10 N GLU A 87 42.262 2.120 29.146 1.00 0.00
N
+ATOM 11 H GLU A 87 41.577 2.055 28.447 1.00 0.00
H
+ATOM 12 N ALA A 88 41.803 0.445 31.318 1.00 0.00
N
+ATOM 13 H ALA A 88 41.333 0.234 30.484 1.00 0.00
H
+ATOM 14 N PHE A 89 44.311 -0.728 31.383 1.00 0.00
N
+ATOM 15 H PHE A 89 43.887 -0.608 30.508 1.00 0.00
H
+ATOM 16 N ARG A 90 45.837 1.499 32.085 1.00 0.00
N
+ATOM 17 H ARG A 90 45.110 1.622 31.440 1.00 0.00
H
+ATOM 18 N VAL A 91 44.785 1.934 34.566 1.00 0.00
N
+ATOM 19 H VAL A 91 44.227 1.611 33.827 1.00 0.00
H
+ATOM 20 N PHE A 92 45.763 -0.183 36.081 1.00 0.00
N
+ATOM 21 H PHE A 92 45.540 -0.328 35.137 1.00 0.00
H
+ATOM 22 N ASP A 93 48.415 0.356 35.940 1.00 0.00
N
+ATOM 23 H ASP A 93 47.777 0.597 35.236 1.00 0.00
H
+ATOM 24 N LYS A 94 49.739 1.751 38.266 1.00 0.00
N
+ATOM 25 H LYS A 94 49.753 0.796 38.485 1.00 0.00
H
+ATOM 26 N ASP A 95 51.993 3.359 38.780 1.00 0.00
N
+ATOM 27 H ASP A 95 52.116 2.407 38.583 1.00 0.00
H
+ATOM 28 N GLY A 96 52.275 4.530 36.365 1.00 0.00
N
+ATOM 29 H GLY A 96 51.634 3.830 36.605 1.00 0.00
H
+ATOM 30 N ASN A 97 54.154 3.683 34.604 1.00 0.00
N
+ATOM 31 H ASN A 97 53.814 3.152 35.354 1.00 0.00
H
+ATOM 32 N GLY A 98 53.844 2.457 32.221 1.00 0.00
N
+ATOM 33 H GLY A 98 53.119 2.748 32.814 1.00 0.00
H
+ATOM 34 N TYR A 99 53.925 -0.215 32.121 1.00 0.00
N
+ATOM 35 H TYR A 99 54.034 0.351 32.914 1.00 0.00
H
+ATOM 36 N ILE A 100 52.734 -3.300 33.471 1.00 0.00
N
+ATOM 37 H ILE A 100 52.658 -3.781 32.622 1.00 0.00
H
+ATOM 38 N SER A 101 53.336 -4.678 36.575 1.00 0.00
N
+ATOM 39 H SER A 101 53.018 -3.876 37.040 1.00 0.00
H
+ATOM 40 N ALA A 102 54.003 -7.896 38.130 1.00 0.00
N
+ATOM 41 H ALA A 102 54.962 -7.981 37.945 1.00 0.00
H
+ATOM 42 N ALA A 103 53.323 -7.958 40.862 1.00 0.00
N
+ATOM 43 H ALA A 103 54.252 -7.734 40.644 1.00 0.00
H
+ATOM 44 N GLU A 104 51.693 -5.753 40.864 1.00 0.00
N
+ATOM 45 H GLU A 104 52.483 -5.790 40.285 1.00 0.00
H
+ATOM 46 N LEU A 105 49.607 -6.753 39.464 1.00 0.00
N
+ATOM 47 H LEU A 105 50.528 -6.989 39.223 1.00 0.00
H
+ATOM 48 N ARG A 106 48.628 -8.513 41.307 1.00 0.00
N
+ATOM 49 H ARG A 106 49.596 -8.384 41.208 1.00 0.00
H
+ATOM 50 N HIS A 107 47.578 -6.762 43.141 1.00 0.00
N
+ATOM 51 H HIS A 107 48.395 -6.531 42.643 1.00 0.00
H
+ATOM 52 N VAL A 108 45.411 -5.543 41.740 1.00 0.00
N
+ATOM 53 H VAL A 108 46.263 -5.538 41.253 1.00 0.00
H
+ATOM 54 N MET A 109 43.942 -7.860 40.983 1.00 0.00
N
+ATOM 55 H MET A 109 44.896 -7.861 40.760 1.00 0.00
H
+ATOM 56 N THR A 110 43.513 -9.076 43.498 1.00 0.00
N
+ATOM 57 H THR A 110 44.403 -8.710 43.311 1.00 0.00
H
+ATOM 58 N ASN A 111 41.957 -7.131 44.904 1.00 0.00
N
+ATOM 59 H ASN A 111 42.739 -6.779 44.426 1.00 0.00
H
+ATOM 60 N LEU A 112 39.950 -6.904 43.071 1.00 0.00
N
+ATOM 61 H LEU A 112 40.886 -7.045 42.815 1.00 0.00
H
+ATOM 62 N GLY A 113 38.512 -9.056 43.594 1.00 0.00
N
+ATOM 63 H GLY A 113 39.316 -8.739 44.053 1.00 0.00
H
+ATOM 64 N GLU A 114 39.547 -11.427 42.916 1.00 0.00
N
+ATOM 65 H GLU A 114 39.827 -10.541 42.603 1.00 0.00
H
+ATOM 66 N LYS A 115 41.702 -13.735 44.191 1.00 0.00
N
+ATOM 67 H LYS A 115 41.002 -14.421 44.235 1.00 0.00
H
+ATOM 68 N LEU A 116 44.893 -14.457 43.774 1.00 0.00
N
+ATOM 69 H LEU A 116 45.038 -13.490 43.709 1.00 0.00
H
+ATOM 70 N THR A 117 47.758 -16.628 43.911 1.00 0.00
N
+ATOM 71 H THR A 117 47.402 -17.370 43.380 1.00 0.00
H
+ATOM 72 N ASP A 118 51.330 -16.071 44.343 1.00 0.00
N
+ATOM 73 H ASP A 118 51.445 -16.211 45.307 1.00 0.00
H
+ATOM 74 N GLU A 119 52.507 -17.810 42.570 1.00 0.00
N
+ATOM 75 H GLU A 119 52.171 -18.127 43.435 1.00 0.00
H
+ATOM 76 N GLU A 120 50.420 -18.533 40.850 1.00 0.00
N
+ATOM 77 H GLU A 120 50.235 -18.503 41.812 1.00 0.00
H
+ATOM 78 N VAL A 121 50.031 -16.096 39.617 1.00 0.00
N
+ATOM 79 H VAL A 121 50.249 -16.127 40.573 1.00 0.00
H
+ATOM 80 N ASP A 122 52.458 -15.886 38.447 1.00 0.00
N
+ATOM 81 H ASP A 122 52.373 -16.243 39.355 1.00 0.00
H
+ATOM 82 N GLU A 123 52.193 -17.819 36.513 1.00 0.00
N
+ATOM 83 H GLU A 123 51.833 -18.016 37.403 1.00 0.00
H
+ATOM 84 N MET A 124 50.216 -16.615 34.894 1.00 0.00
N
+ATOM 85 H MET A 124 50.045 -16.601 35.863 1.00 0.00
H
+ATOM 86 N ILE A 125 51.608 -14.295 34.191 1.00 0.00
N
+ATOM 87 H ILE A 125 51.613 -14.573 35.129 1.00 0.00
H
+ATOM 88 N ARG A 126 53.926 -15.361 32.952 1.00 0.00
N
+ATOM 89 H ARG A 126 53.716 -15.733 33.834 1.00 0.00
H
+ATOM 90 N GLU A 127 52.638 -16.655 30.852 1.00 0.00
N
+ATOM 91 H GLU A 127 52.230 -16.673 31.743 1.00 0.00
H
+ATOM 92 N ALA A 128 51.347 -14.534 29.545 1.00 0.00
N
+ATOM 93 H ALA A 128 51.282 -14.570 30.522 1.00 0.00
H
+ATOM 94 N ASP A 129 53.493 -12.897 29.281 1.00 0.00
N
+ATOM 95 H ASP A 129 53.387 -13.559 29.996 1.00 0.00
H
+ATOM 96 N ILE A 130 55.468 -12.398 26.709 1.00 0.00
N
+ATOM 97 H ILE A 130 55.025 -11.527 26.624 1.00 0.00
H
+ATOM 98 N ASP A 131 57.991 -11.581 25.953 1.00 0.00
N
+ATOM 99 H ASP A 131 57.364 -10.972 26.395 1.00 0.00
H
+ATOM 100 N GLY A 132 59.444 -12.484 27.954 1.00 0.00
N
+ATOM 101 H GLY A 132 58.485 -12.612 27.793 1.00 0.00
H
+ATOM 102 N ASP A 133 60.102 -10.778 29.963 1.00 0.00
N
+ATOM 103 H ASP A 133 59.382 -10.612 29.320 1.00 0.00
H
+ATOM 104 N GLY A 134 59.031 -10.634 32.400 1.00 0.00
N
+ATOM 105 H GLY A 134 58.658 -11.103 31.624 1.00 0.00
H
+ATOM 106 N GLN A 135 56.929 -9.077 33.041 1.00 0.00
N
+ATOM 107 H GLN A 135 57.331 -9.185 32.153 1.00 0.00
H
+ATOM 108 N VAL A 136 53.724 -7.527 32.177 1.00 0.00
N
+ATOM 109 H VAL A 136 53.455 -7.170 33.050 1.00 0.00
H
+ATOM 110 N ASN A 137 52.996 -5.933 29.177 1.00 0.00
N
+ATOM 111 H ASN A 137 53.229 -6.721 28.645 1.00 0.00
H
+ATOM 112 N TYR A 138 51.270 -3.282 27.344 1.00 0.00
N
+ATOM 113 H TYR A 138 51.916 -2.546 27.386 1.00 0.00
H
+ATOM 114 N GLU A 139 50.642 -4.355 24.742 1.00 0.00
N
+ATOM 115 H GLU A 139 51.498 -3.885 24.795 1.00 0.00
H
+ATOM 116 N GLU A 140 50.878 -7.140 25.232 1.00 0.00
N
+ATOM 117 H GLU A 140 51.607 -6.567 25.551 1.00 0.00
H
+ATOM 118 N PHE A 141 48.964 -7.379 27.239 1.00 0.00
N
+ATOM 119 H PHE A 141 49.565 -6.606 27.249 1.00 0.00
H
+ATOM 120 N VAL A 142 46.609 -6.799 25.833 1.00 0.00
N
+ATOM 121 H VAL A 142 47.379 -6.214 25.668 1.00 0.00
H
+ATOM 122 N GLN A 143 46.505 -8.990 24.003 1.00 0.00
N
+ATOM 123 H GLN A 143 47.368 -8.522 24.015 1.00 0.00
H
+ATOM 124 N MET A 144 46.375 -11.106 25.880 1.00 0.00
N
+ATOM 125 H MET A 144 47.033 -10.398 26.042 1.00 0.00
H
+ATOM 126 N MET A 145 43.924 -10.577 27.203 1.00 0.00
N
+ATOM 127 H MET A 145 44.513 -9.817 27.014 1.00 0.00
H
+ATOM 128 N THR A 146 42.374 -10.169 25.019 1.00 0.00
N
+ATOM 129 H THR A 146 43.334 -9.975 25.076 1.00 0.00
H
+ATOM 130 N ALA A 147 42.693 -12.446 23.632 1.00 0.00
N
+ATOM 131 H ALA A 147 42.706 -12.387 24.611 1.00 0.00
H
+ATOM 132 N LYS A 148 42.118 -13.818 20.783 1.00 0.00
N
+ATOM 133 H LYS A 148 42.799 -13.184 20.474 1.00 0.00
H
+TER 134 LYS A 148
+HETATM 135 CA CA A1000 53.506 -0.174 36.754 1.00 0.00
CA
+HETATM 136 CA CA A1001 56.460 -8.486 28.645 1.00 0.00
CA
+MASTER 0 0 2 0 0 0 0 0 135 1 0 0
+END
r18602 - /branches/frame_order_testing/test_suite/shared_data/frame_order/cam/1J7P_1st_NH_rot_trans.pdb