data_16067_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16067
_Entry.PDB_ID 2KC8
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 5 . 1 1 1 B 5 5 GLN H H 48 8.508 7.976 0.532 1
1 6 . 1 1 1 B 5 5 GLN CA C 48 55.746 58.087 -2.341 1
1 7 . 1 1 1 B 5 5 GLN CB C 48 29.540 27.823 1.717 1
1 8 . 1 1 1 B 5 5 GLN N N 48 121.949 116.744 5.205 1
1 9 . 1 1 1 B 6 6 THR H H 49 8.245 8.449 -0.204 1
1 10 . 1 1 1 B 6 6 THR CA C 49 61.784 61.037 0.747 1
1 11 . 1 1 1 B 6 6 THR CB C 49 69.534 70.561 -1.027 1
1 12 . 1 1 1 B 6 6 THR N N 49 116.347 114.782 1.565 1
1 13 . 1 1 1 B 7 7 LEU H H 50 8.322 8.684 -0.362 1
1 14 . 1 1 1 B 7 7 LEU CA C 50 54.935 57.291 -2.356 1
1 15 . 1 1 1 B 7 7 LEU CB C 50 42.296 42.173 0.123 1
1 16 . 1 1 1 B 7 7 LEU N N 50 124.968 123.526 1.442 1
1 17 . 1 1 1 B 8 8 LEU H H 51 8.306 7.584 0.722 1
1 18 . 1 1 1 B 8 8 LEU CA C 51 54.908 53.791 1.117 1
1 19 . 1 1 1 B 8 8 LEU CB C 51 42.296 43.496 -1.200 1
1 20 . 1 1 1 B 8 8 LEU N N 51 123.239 117.677 5.562 1
1 21 . 1 1 1 B 9 9 SER H H 52 8.375 9.243 -0.868 1
1 22 . 1 1 1 B 9 9 SER CA C 52 57.866 56.066 1.800 1
1 23 . 1 1 1 B 9 9 SER CB C 52 63.889 65.450 -1.561 1
1 24 . 1 1 1 B 9 9 SER N N 52 116.347 115.958 0.389 1
1 25 . 1 1 1 B 10 10 ASP H H 53 8.434 9.113 -0.679 1
1 26 . 1 1 1 B 10 10 ASP CA C 53 54.825 55.705 -0.880 1
1 27 . 1 1 1 B 10 10 ASP CB C 53 40.825 40.319 0.506 1
1 28 . 1 1 1 B 10 10 ASP N N 53 122.469 122.742 -0.273 1
1 29 . 1 1 1 B 11 11 GLU H H 54 8.384 8.654 -0.270 1
1 30 . 1 1 1 B 11 11 GLU CA C 54 57.149 59.545 -2.396 1
1 31 . 1 1 1 B 11 11 GLU CB C 54 30.127 29.201 0.926 1
1 32 . 1 1 1 B 11 11 GLU N N 54 120.496 120.336 0.160 1
1 33 . 1 1 1 B 12 12 ASP H H 55 8.222 8.307 -0.085 1
1 34 . 1 1 1 B 12 12 ASP CA C 55 54.679 57.176 -2.497 1
1 35 . 1 1 1 B 12 12 ASP CB C 55 41.028 40.195 0.833 1
1 36 . 1 1 1 B 12 12 ASP N N 55 121.015 120.466 0.549 1
1 37 . 1 1 1 B 13 13 ALA H H 56 8.137 8.073 0.064 1
1 38 . 1 1 1 B 13 13 ALA CA C 56 53.158 54.712 -1.554 1
1 39 . 1 1 1 B 13 13 ALA CB C 56 19.134 18.192 0.942 1
1 40 . 1 1 1 B 13 13 ALA N N 56 124.104 122.500 1.604 1
1 41 . 1 1 1 B 14 14 GLU H H 57 8.275 7.874 0.401 1
1 42 . 1 1 1 B 14 14 GLU CA C 57 56.973 58.447 -1.474 1
1 43 . 1 1 1 B 14 14 GLU CB C 57 29.882 29.705 0.177 1
1 44 . 1 1 1 B 14 14 GLU N N 57 118.808 117.770 1.038 1
1 45 . 1 1 1 B 15 15 LEU H H 58 8.025 7.707 0.318 1
1 46 . 1 1 1 B 15 15 LEU CA C 58 55.578 57.985 -2.407 1
1 47 . 1 1 1 B 15 15 LEU CB C 58 41.884 41.112 0.772 1
1 48 . 1 1 1 B 15 15 LEU N N 58 122.227 120.105 2.122 1
1 49 . 1 1 1 B 16 16 VAL H H 59 7.949 7.834 0.115 1
1 50 . 1 1 1 B 16 16 VAL CA C 59 63.178 65.471 -2.293 1
1 51 . 1 1 1 B 16 16 VAL CB C 59 32.422 31.425 0.997 1
1 52 . 1 1 1 B 16 16 VAL N N 59 120.225 115.642 4.583 1
1 53 . 1 1 1 B 17 17 GLU H H 60 8.259 8.174 0.085 1
1 54 . 1 1 1 B 17 17 GLU CA C 60 56.876 58.783 -1.907 1
1 55 . 1 1 1 B 17 17 GLU CB C 60 29.896 29.128 0.768 1
1 56 . 1 1 1 B 17 17 GLU N N 60 122.595 120.491 2.104 1
1 57 . 1 1 1 B 18 18 ILE H H 61 8.066 7.714 0.352 1
1 58 . 1 1 1 B 18 18 ILE CA C 61 61.857 64.640 -2.783 1
1 59 . 1 1 1 B 18 18 ILE CB C 61 38.266 37.988 0.278 1
1 60 . 1 1 1 B 18 18 ILE N N 61 122.128 121.596 0.532 1
1 61 . 1 1 1 B 19 19 VAL H H 62 8.111 8.115 -0.004 1
1 62 . 1 1 1 B 19 19 VAL CA C 62 63.616 65.472 -1.856 1
1 63 . 1 1 1 B 19 19 VAL CB C 62 32.098 31.383 0.715 1
1 64 . 1 1 1 B 19 19 VAL N N 62 123.554 120.788 2.766 1
1 65 . 1 1 1 B 20 20 LYS H H 63 8.235 7.964 0.271 1
1 66 . 1 1 1 B 20 20 LYS CA C 63 57.431 58.773 -1.342 1
1 67 . 1 1 1 B 20 20 LYS CB C 63 32.617 31.742 0.875 1
1 68 . 1 1 1 B 20 20 LYS N N 63 123.314 120.549 2.765 1
1 69 . 1 1 1 B 21 21 GLU H H 64 8.257 7.718 0.539 1
1 70 . 1 1 1 B 21 21 GLU CA C 64 57.310 59.401 -2.091 1
1 71 . 1 1 1 B 21 21 GLU CB C 64 29.885 29.197 0.688 1
1 72 . 1 1 1 B 21 21 GLU N N 64 120.622 119.774 0.848 1
1 73 . 1 1 1 B 22 22 ARG H H 65 8.179 7.789 0.390 1
1 74 . 1 1 1 B 22 22 ARG CA C 65 56.674 58.708 -2.034 1
1 75 . 1 1 1 B 22 22 ARG CB C 65 30.520 29.696 0.824 1
1 76 . 1 1 1 B 22 22 ARG N N 65 120.784 119.301 1.483 1
1 77 . 1 1 1 B 23 23 LEU H H 66 8.042 8.306 -0.264 1
1 78 . 1 1 1 B 23 23 LEU CA C 66 55.297 57.407 -2.110 1
1 79 . 1 1 1 B 23 23 LEU CB C 66 42.087 41.874 0.213 1
1 80 . 1 1 1 B 23 23 LEU N N 66 121.246 121.537 -0.291 1
1 81 . 1 1 1 B 24 24 ARG H H 67 8.073 8.673 -0.600 1
1 82 . 1 1 1 B 24 24 ARG CA C 67 56.102 57.793 -1.691 1
1 83 . 1 1 1 B 24 24 ARG CB C 67 30.732 29.183 1.549 1
1 84 . 1 1 1 B 24 24 ARG N N 67 120.656 117.025 3.631 1
1 85 . 1 1 1 B 25 25 ASN H H 68 8.191 7.918 0.273 1
1 86 . 1 1 1 B 25 25 ASN CA C 68 56.384 51.411 4.973 1
1 87 . 1 1 1 B 25 25 ASN CB C 68 41.056 38.633 2.423 1
1 88 . 1 1 1 B 25 25 ASN N N 68 120.784 117.671 3.113 1
1 89 . 1 1 1 B 26 26 PRO CA C 69 62.979 63.856 -0.877 1
1 90 . 1 1 1 B 26 26 PRO CB C 69 32.101 32.092 0.009 1
1 91 . 1 1 1 B 27 27 LYS H H 70 8.322 7.882 0.440 1
1 92 . 1 1 1 B 27 27 LYS CA C 70 53.847 56.578 -2.731 1
1 93 . 1 1 1 B 27 27 LYS CB C 70 32.330 30.986 1.344 1
1 94 . 1 1 1 B 27 27 LYS N N 70 122.519 116.240 6.279 1
1 95 . 1 1 1 B 28 28 PRO CA C 71 62.803 62.505 0.298 1
1 96 . 1 1 1 B 28 28 PRO CB C 71 32.090 32.257 -0.167 1
1 97 . 1 1 1 B 29 29 VAL H H 72 8.250 8.562 -0.312 1
1 98 . 1 1 1 B 29 29 VAL CA C 72 62.281 60.827 1.454 1
1 99 . 1 1 1 B 29 29 VAL CB C 72 32.706 33.971 -1.265 1
1 100 . 1 1 1 B 29 29 VAL N N 72 120.957 123.303 -2.346 1
1 101 . 1 1 1 B 30 30 ARG H H 73 8.386 8.671 -0.285 1
1 102 . 1 1 1 B 30 30 ARG CA C 73 55.613 56.222 -0.609 1
1 103 . 1 1 1 B 30 30 ARG CB C 73 30.903 30.520 0.383 1
1 104 . 1 1 1 B 30 30 ARG N N 73 125.259 128.504 -3.245 1
1 105 . 1 1 1 B 31 31 VAL H H 74 8.338 8.827 -0.489 1
1 106 . 1 1 1 B 31 31 VAL CA C 74 62.185 59.161 3.024 1
1 107 . 1 1 1 B 31 31 VAL CB C 74 32.821 36.605 -3.784 1
1 108 . 1 1 1 B 31 31 VAL N N 74 122.368 119.626 2.742 1
1 109 . 1 1 1 B 32 32 THR H H 75 8.228 8.314 -0.086 1
1 110 . 1 1 1 B 32 32 THR CA C 75 61.337 59.225 2.112 1
1 111 . 1 1 1 B 32 32 THR CB C 75 69.630 72.032 -2.402 1
1 112 . 1 1 1 B 32 32 THR N N 75 118.303 110.621 7.682 1
1 113 . 1 1 1 B 33 33 LEU H H 76 8.361 8.872 -0.511 1
1 114 . 1 1 1 B 33 33 LEU CA C 76 55.083 57.213 -2.130 1
1 115 . 1 1 1 B 33 33 LEU CB C 76 42.167 41.925 0.242 1
1 116 . 1 1 1 B 33 33 LEU N N 76 124.501 121.732 2.769 1
1 117 . 1 1 1 B 34 34 ASP H H 77 8.252 8.200 0.052 1
1 118 . 1 1 1 B 34 34 ASP CA C 77 54.463 57.136 -2.673 1
1 119 . 1 1 1 B 34 34 ASP CB C 77 41.065 40.828 0.237 1
1 120 . 1 1 1 B 34 34 ASP N N 77 120.225 119.599 0.626 1
1 121 . 1 1 1 B 35 35 GLU H H 78 8.180 8.113 0.067 1
1 122 . 1 1 1 B 35 35 GLU CA C 78 56.262 57.872 -1.610 1
1 123 . 1 1 1 B 35 35 GLU CB C 78 30.411 29.721 0.690 1
1 124 . 1 1 1 B 35 35 GLU N N 78 120.656 116.797 3.859 1
1 5 . 2 1 1 B 5 5 GLN H H 48 8.508 8.548 -0.040 1
1 6 . 2 1 1 B 5 5 GLN CA C 48 55.746 54.652 1.094 1
1 7 . 2 1 1 B 5 5 GLN CB C 48 29.540 30.723 -1.183 1
1 8 . 2 1 1 B 5 5 GLN N N 48 121.949 122.089 -0.140 1
1 9 . 2 1 1 B 6 6 THR H H 49 8.245 8.832 -0.587 1
1 10 . 2 1 1 B 6 6 THR CA C 49 61.784 60.360 1.424 1
1 11 . 2 1 1 B 6 6 THR CB C 49 69.534 71.770 -2.236 1
1 12 . 2 1 1 B 6 6 THR N N 49 116.347 114.702 1.645 1
1 13 . 2 1 1 B 7 7 LEU H H 50 8.322 8.459 -0.137 1
1 14 . 2 1 1 B 7 7 LEU CA C 50 54.935 54.027 0.908 1
1 15 . 2 1 1 B 7 7 LEU CB C 50 42.296 42.159 0.137 1
1 16 . 2 1 1 B 7 7 LEU N N 50 124.968 119.783 5.185 1
1 17 . 2 1 1 B 8 8 LEU H H 51 8.306 7.450 0.856 1
1 18 . 2 1 1 B 8 8 LEU CA C 51 54.908 53.492 1.416 1
1 19 . 2 1 1 B 8 8 LEU CB C 51 42.296 43.758 -1.462 1
1 20 . 2 1 1 B 8 8 LEU N N 51 123.239 118.649 4.590 1
1 21 . 2 1 1 B 9 9 SER H H 52 8.375 9.090 -0.715 1
1 22 . 2 1 1 B 9 9 SER CA C 52 57.866 56.138 1.728 1
1 23 . 2 1 1 B 9 9 SER CB C 52 63.889 65.445 -1.556 1
1 24 . 2 1 1 B 9 9 SER N N 52 116.347 115.314 1.033 1
1 25 . 2 1 1 B 10 10 ASP H H 53 8.434 8.955 -0.521 1
1 26 . 2 1 1 B 10 10 ASP CA C 53 54.825 57.211 -2.386 1
1 27 . 2 1 1 B 10 10 ASP CB C 53 40.825 40.444 0.381 1
1 28 . 2 1 1 B 10 10 ASP N N 53 122.469 123.293 -0.824 1
1 29 . 2 1 1 B 11 11 GLU H H 54 8.384 8.500 -0.116 1
1 30 . 2 1 1 B 11 11 GLU CA C 54 57.149 59.450 -2.301 1
1 31 . 2 1 1 B 11 11 GLU CB C 54 30.127 29.261 0.866 1
1 32 . 2 1 1 B 11 11 GLU N N 54 120.496 118.264 2.232 1
1 33 . 2 1 1 B 12 12 ASP H H 55 8.222 7.874 0.348 1
1 34 . 2 1 1 B 12 12 ASP CA C 55 54.679 57.183 -2.504 1
1 35 . 2 1 1 B 12 12 ASP CB C 55 41.028 40.119 0.909 1
1 36 . 2 1 1 B 12 12 ASP N N 55 121.015 120.561 0.454 1
1 37 . 2 1 1 B 13 13 ALA H H 56 8.137 7.966 0.171 1
1 38 . 2 1 1 B 13 13 ALA CA C 56 53.158 54.734 -1.576 1
1 39 . 2 1 1 B 13 13 ALA CB C 56 19.134 18.268 0.866 1
1 40 . 2 1 1 B 13 13 ALA N N 56 124.104 122.461 1.643 1
1 41 . 2 1 1 B 14 14 GLU H H 57 8.275 7.540 0.735 1
1 42 . 2 1 1 B 14 14 GLU CA C 57 56.973 58.495 -1.522 1
1 43 . 2 1 1 B 14 14 GLU CB C 57 29.882 30.037 -0.155 1
1 44 . 2 1 1 B 14 14 GLU N N 57 118.808 117.501 1.307 1
1 45 . 2 1 1 B 15 15 LEU H H 58 8.025 7.986 0.039 1
1 46 . 2 1 1 B 15 15 LEU CA C 58 55.578 57.791 -2.213 1
1 47 . 2 1 1 B 15 15 LEU CB C 58 41.884 41.261 0.623 1
1 48 . 2 1 1 B 15 15 LEU N N 58 122.227 120.471 1.756 1
1 49 . 2 1 1 B 16 16 VAL H H 59 7.949 7.802 0.147 1
1 50 . 2 1 1 B 16 16 VAL CA C 59 63.178 65.397 -2.219 1
1 51 . 2 1 1 B 16 16 VAL CB C 59 32.422 31.433 0.989 1
1 52 . 2 1 1 B 16 16 VAL N N 59 120.225 115.666 4.559 1
1 53 . 2 1 1 B 17 17 GLU H H 60 8.259 8.262 -0.003 1
1 54 . 2 1 1 B 17 17 GLU CA C 60 56.876 59.061 -2.185 1
1 55 . 2 1 1 B 17 17 GLU CB C 60 29.896 29.466 0.430 1
1 56 . 2 1 1 B 17 17 GLU N N 60 122.595 120.537 2.058 1
1 57 . 2 1 1 B 18 18 ILE H H 61 8.066 7.864 0.202 1
1 58 . 2 1 1 B 18 18 ILE CA C 61 61.857 65.156 -3.299 1
1 59 . 2 1 1 B 18 18 ILE CB C 61 38.266 37.868 0.398 1
1 60 . 2 1 1 B 18 18 ILE N N 61 122.128 121.409 0.719 1
1 61 . 2 1 1 B 19 19 VAL H H 62 8.111 8.108 0.003 1
1 62 . 2 1 1 B 19 19 VAL CA C 62 63.616 65.320 -1.704 1
1 63 . 2 1 1 B 19 19 VAL CB C 62 32.098 31.592 0.506 1
1 64 . 2 1 1 B 19 19 VAL N N 62 123.554 121.430 2.124 1
1 65 . 2 1 1 B 20 20 LYS H H 63 8.235 7.902 0.333 1
1 66 . 2 1 1 B 20 20 LYS CA C 63 57.431 58.913 -1.482 1
1 67 . 2 1 1 B 20 20 LYS CB C 63 32.617 31.884 0.733 1
1 68 . 2 1 1 B 20 20 LYS N N 63 123.314 120.753 2.561 1
1 69 . 2 1 1 B 21 21 GLU H H 64 8.257 8.234 0.023 1
1 70 . 2 1 1 B 21 21 GLU CA C 64 57.310 59.466 -2.156 1
1 71 . 2 1 1 B 21 21 GLU CB C 64 29.885 29.293 0.592 1
1 72 . 2 1 1 B 21 21 GLU N N 64 120.622 119.619 1.003 1
1 73 . 2 1 1 B 22 22 ARG H H 65 8.179 8.108 0.071 1
1 74 . 2 1 1 B 22 22 ARG CA C 65 56.674 58.325 -1.651 1
1 75 . 2 1 1 B 22 22 ARG CB C 65 30.520 30.311 0.209 1
1 76 . 2 1 1 B 22 22 ARG N N 65 120.784 119.833 0.951 1
1 77 . 2 1 1 B 23 23 LEU H H 66 8.042 7.903 0.139 1
1 78 . 2 1 1 B 23 23 LEU CA C 66 55.297 55.820 -0.523 1
1 79 . 2 1 1 B 23 23 LEU CB C 66 42.087 41.536 0.551 1
1 80 . 2 1 1 B 23 23 LEU N N 66 121.246 117.386 3.860 1
1 81 . 2 1 1 B 24 24 ARG H H 67 8.073 8.640 -0.567 1
1 82 . 2 1 1 B 24 24 ARG CA C 67 56.102 58.964 -2.862 1
1 83 . 2 1 1 B 24 24 ARG CB C 67 30.732 30.005 0.727 1
1 84 . 2 1 1 B 24 24 ARG N N 67 120.656 118.533 2.123 1
1 85 . 2 1 1 B 25 25 ASN H H 68 8.191 7.993 0.198 1
1 86 . 2 1 1 B 25 25 ASN CA C 68 56.384 50.461 5.923 1
1 87 . 2 1 1 B 25 25 ASN CB C 68 41.056 38.848 2.208 1
1 88 . 2 1 1 B 25 25 ASN N N 68 120.784 117.271 3.513 1
1 89 . 2 1 1 B 26 26 PRO CA C 69 62.979 65.579 -2.600 1
1 90 . 2 1 1 B 26 26 PRO CB C 69 32.101 31.745 0.356 1
1 91 . 2 1 1 B 27 27 LYS H H 70 8.322 7.958 0.364 1
1 92 . 2 1 1 B 27 27 LYS CA C 70 53.847 56.508 -2.661 1
1 93 . 2 1 1 B 27 27 LYS CB C 70 32.330 31.024 1.306 1
1 94 . 2 1 1 B 27 27 LYS N N 70 122.519 115.485 7.034 1
1 95 . 2 1 1 B 28 28 PRO CA C 71 62.803 62.306 0.497 1
1 96 . 2 1 1 B 28 28 PRO CB C 71 32.090 32.605 -0.515 1
1 97 . 2 1 1 B 29 29 VAL H H 72 8.250 8.440 -0.190 1
1 98 . 2 1 1 B 29 29 VAL CA C 72 62.281 60.637 1.644 1
1 99 . 2 1 1 B 29 29 VAL CB C 72 32.706 34.670 -1.964 1
1 100 . 2 1 1 B 29 29 VAL N N 72 120.957 120.704 0.253 1
1 101 . 2 1 1 B 30 30 ARG H H 73 8.386 8.697 -0.311 1
1 102 . 2 1 1 B 30 30 ARG CA C 73 55.613 56.330 -0.717 1
1 103 . 2 1 1 B 30 30 ARG CB C 73 30.903 30.669 0.234 1
1 104 . 2 1 1 B 30 30 ARG N N 73 125.259 127.663 -2.404 1
1 105 . 2 1 1 B 31 31 VAL H H 74 8.338 8.848 -0.510 1
1 106 . 2 1 1 B 31 31 VAL CA C 74 62.185 59.393 2.792 1
1 107 . 2 1 1 B 31 31 VAL CB C 74 32.821 36.042 -3.221 1
1 108 . 2 1 1 B 31 31 VAL N N 74 122.368 118.426 3.942 1
1 109 . 2 1 1 B 32 32 THR H H 75 8.228 8.361 -0.133 1
1 110 . 2 1 1 B 32 32 THR CA C 75 61.337 59.179 2.158 1
1 111 . 2 1 1 B 32 32 THR CB C 75 69.630 71.856 -2.226 1
1 112 . 2 1 1 B 32 32 THR N N 75 118.303 110.885 7.418 1
1 113 . 2 1 1 B 33 33 LEU H H 76 8.361 8.929 -0.568 1
1 114 . 2 1 1 B 33 33 LEU CA C 76 55.083 57.656 -2.573 1
1 115 . 2 1 1 B 33 33 LEU CB C 76 42.167 41.385 0.782 1
1 116 . 2 1 1 B 33 33 LEU N N 76 124.501 122.388 2.113 1
1 117 . 2 1 1 B 34 34 ASP H H 77 8.252 8.340 -0.088 1
1 118 . 2 1 1 B 34 34 ASP CA C 77 54.463 57.745 -3.282 1
1 119 . 2 1 1 B 34 34 ASP CB C 77 41.065 41.474 -0.409 1
1 120 . 2 1 1 B 34 34 ASP N N 77 120.225 119.726 0.499 1
1 121 . 2 1 1 B 35 35 GLU H H 78 8.180 8.190 -0.010 1
1 122 . 2 1 1 B 35 35 GLU CA C 78 56.262 57.865 -1.603 1
1 123 . 2 1 1 B 35 35 GLU CB C 78 30.411 29.720 0.691 1
1 124 . 2 1 1 B 35 35 GLU N N 78 120.656 116.303 4.353 1
1 5 . 3 1 1 B 5 5 GLN H H 48 8.508 8.111 0.397 1
1 6 . 3 1 1 B 5 5 GLN CA C 48 55.746 55.532 0.214 1
1 7 . 3 1 1 B 5 5 GLN CB C 48 29.540 27.771 1.769 1
1 8 . 3 1 1 B 5 5 GLN N N 48 121.949 114.859 7.090 1
1 9 . 3 1 1 B 6 6 THR H H 49 8.245 7.916 0.329 1
1 10 . 3 1 1 B 6 6 THR CA C 49 61.784 60.905 0.879 1
1 11 . 3 1 1 B 6 6 THR CB C 49 69.534 69.055 0.479 1
1 12 . 3 1 1 B 6 6 THR N N 49 116.347 114.048 2.299 1
1 13 . 3 1 1 B 7 7 LEU H H 50 8.322 8.778 -0.456 1
1 14 . 3 1 1 B 7 7 LEU CA C 50 54.935 54.533 0.402 1
1 15 . 3 1 1 B 7 7 LEU CB C 50 42.296 41.750 0.546 1
1 16 . 3 1 1 B 7 7 LEU N N 50 124.968 127.202 -2.234 1
1 17 . 3 1 1 B 8 8 LEU H H 51 8.306 7.632 0.674 1
1 18 . 3 1 1 B 8 8 LEU CA C 51 54.908 52.857 2.051 1
1 19 . 3 1 1 B 8 8 LEU CB C 51 42.296 46.341 -4.045 1
1 20 . 3 1 1 B 8 8 LEU N N 51 123.239 116.653 6.586 1
1 21 . 3 1 1 B 9 9 SER H H 52 8.375 9.147 -0.772 1
1 22 . 3 1 1 B 9 9 SER CA C 52 57.866 56.163 1.703 1
1 23 . 3 1 1 B 9 9 SER CB C 52 63.889 65.563 -1.674 1
1 24 . 3 1 1 B 9 9 SER N N 52 116.347 114.635 1.712 1
1 25 . 3 1 1 B 10 10 ASP H H 53 8.434 8.759 -0.325 1
1 26 . 3 1 1 B 10 10 ASP CA C 53 54.825 57.873 -3.048 1
1 27 . 3 1 1 B 10 10 ASP CB C 53 40.825 41.059 -0.234 1
1 28 . 3 1 1 B 10 10 ASP N N 53 122.469 124.671 -2.202 1
1 29 . 3 1 1 B 11 11 GLU H H 54 8.384 8.465 -0.081 1
1 30 . 3 1 1 B 11 11 GLU CA C 54 57.149 58.864 -1.715 1
1 31 . 3 1 1 B 11 11 GLU CB C 54 30.127 28.441 1.686 1
1 32 . 3 1 1 B 11 11 GLU N N 54 120.496 117.167 3.329 1
1 33 . 3 1 1 B 12 12 ASP H H 55 8.222 8.025 0.197 1
1 34 . 3 1 1 B 12 12 ASP CA C 55 54.679 57.143 -2.464 1
1 35 . 3 1 1 B 12 12 ASP CB C 55 41.028 40.088 0.940 1
1 36 . 3 1 1 B 12 12 ASP N N 55 121.015 120.243 0.772 1
1 37 . 3 1 1 B 13 13 ALA H H 56 8.137 8.008 0.129 1
1 38 . 3 1 1 B 13 13 ALA CA C 56 53.158 54.667 -1.509 1
1 39 . 3 1 1 B 13 13 ALA CB C 56 19.134 18.329 0.805 1
1 40 . 3 1 1 B 13 13 ALA N N 56 124.104 122.427 1.677 1
1 41 . 3 1 1 B 14 14 GLU H H 57 8.275 7.569 0.706 1
1 42 . 3 1 1 B 14 14 GLU CA C 57 56.973 58.468 -1.495 1
1 43 . 3 1 1 B 14 14 GLU CB C 57 29.882 29.849 0.033 1
1 44 . 3 1 1 B 14 14 GLU N N 57 118.808 117.902 0.906 1
1 45 . 3 1 1 B 15 15 LEU H H 58 8.025 8.164 -0.139 1
1 46 . 3 1 1 B 15 15 LEU CA C 58 55.578 57.766 -2.188 1
1 47 . 3 1 1 B 15 15 LEU CB C 58 41.884 41.351 0.533 1
1 48 . 3 1 1 B 15 15 LEU N N 58 122.227 119.773 2.454 1
1 49 . 3 1 1 B 16 16 VAL H H 59 7.949 7.858 0.091 1
1 50 . 3 1 1 B 16 16 VAL CA C 59 63.178 65.285 -2.107 1
1 51 . 3 1 1 B 16 16 VAL CB C 59 32.422 31.149 1.273 1
1 52 . 3 1 1 B 16 16 VAL N N 59 120.225 115.477 4.748 1
1 53 . 3 1 1 B 17 17 GLU H H 60 8.259 8.253 0.006 1
1 54 . 3 1 1 B 17 17 GLU CA C 60 56.876 58.995 -2.119 1
1 55 . 3 1 1 B 17 17 GLU CB C 60 29.896 29.533 0.363 1
1 56 . 3 1 1 B 17 17 GLU N N 60 122.595 120.636 1.959 1
1 57 . 3 1 1 B 18 18 ILE H H 61 8.066 7.632 0.434 1
1 58 . 3 1 1 B 18 18 ILE CA C 61 61.857 65.141 -3.284 1
1 59 . 3 1 1 B 18 18 ILE CB C 61 38.266 37.790 0.476 1
1 60 . 3 1 1 B 18 18 ILE N N 61 122.128 121.392 0.736 1
1 61 . 3 1 1 B 19 19 VAL H H 62 8.111 8.170 -0.059 1
1 62 . 3 1 1 B 19 19 VAL CA C 62 63.616 65.414 -1.798 1
1 63 . 3 1 1 B 19 19 VAL CB C 62 32.098 31.340 0.758 1
1 64 . 3 1 1 B 19 19 VAL N N 62 123.554 120.958 2.596 1
1 65 . 3 1 1 B 20 20 LYS H H 63 8.235 7.729 0.506 1
1 66 . 3 1 1 B 20 20 LYS CA C 63 57.431 58.809 -1.378 1
1 67 . 3 1 1 B 20 20 LYS CB C 63 32.617 31.826 0.791 1
1 68 . 3 1 1 B 20 20 LYS N N 63 123.314 120.773 2.541 1
1 69 . 3 1 1 B 21 21 GLU H H 64 8.257 8.269 -0.012 1
1 70 . 3 1 1 B 21 21 GLU CA C 64 57.310 59.541 -2.231 1
1 71 . 3 1 1 B 21 21 GLU CB C 64 29.885 29.119 0.766 1
1 72 . 3 1 1 B 21 21 GLU N N 64 120.622 119.583 1.039 1
1 73 . 3 1 1 B 22 22 ARG H H 65 8.179 7.937 0.242 1
1 74 . 3 1 1 B 22 22 ARG CA C 65 56.674 58.482 -1.808 1
1 75 . 3 1 1 B 22 22 ARG CB C 65 30.520 29.943 0.577 1
1 76 . 3 1 1 B 22 22 ARG N N 65 120.784 119.779 1.005 1
1 77 . 3 1 1 B 23 23 LEU H H 66 8.042 8.293 -0.251 1
1 78 . 3 1 1 B 23 23 LEU CA C 66 55.297 56.451 -1.154 1
1 79 . 3 1 1 B 23 23 LEU CB C 66 42.087 41.325 0.762 1
1 80 . 3 1 1 B 23 23 LEU N N 66 121.246 118.688 2.558 1
1 81 . 3 1 1 B 24 24 ARG H H 67 8.073 8.476 -0.403 1
1 82 . 3 1 1 B 24 24 ARG CA C 67 56.102 58.425 -2.323 1
1 83 . 3 1 1 B 24 24 ARG CB C 67 30.732 29.974 0.758 1
1 84 . 3 1 1 B 24 24 ARG N N 67 120.656 118.093 2.563 1
1 85 . 3 1 1 B 25 25 ASN H H 68 8.191 8.078 0.113 1
1 86 . 3 1 1 B 25 25 ASN CA C 68 56.384 50.414 5.970 1
1 87 . 3 1 1 B 25 25 ASN CB C 68 41.056 39.028 2.028 1
1 88 . 3 1 1 B 25 25 ASN N N 68 120.784 117.854 2.930 1
1 89 . 3 1 1 B 26 26 PRO CA C 69 62.979 65.827 -2.848 1
1 90 . 3 1 1 B 26 26 PRO CB C 69 32.101 31.575 0.526 1
1 91 . 3 1 1 B 27 27 LYS H H 70 8.322 7.958 0.364 1
1 92 . 3 1 1 B 27 27 LYS CA C 70 53.847 56.565 -2.718 1
1 93 . 3 1 1 B 27 27 LYS CB C 70 32.330 30.874 1.456 1
1 94 . 3 1 1 B 27 27 LYS N N 70 122.519 115.634 6.885 1
1 95 . 3 1 1 B 28 28 PRO CA C 71 62.803 62.520 0.283 1
1 96 . 3 1 1 B 28 28 PRO CB C 71 32.090 32.597 -0.507 1
1 97 . 3 1 1 B 29 29 VAL H H 72 8.250 8.490 -0.240 1
1 98 . 3 1 1 B 29 29 VAL CA C 72 62.281 61.325 0.956 1
1 99 . 3 1 1 B 29 29 VAL CB C 72 32.706 33.800 -1.094 1
1 100 . 3 1 1 B 29 29 VAL N N 72 120.957 120.781 0.176 1
1 101 . 3 1 1 B 30 30 ARG H H 73 8.386 8.784 -0.398 1
1 102 . 3 1 1 B 30 30 ARG CA C 73 55.613 56.838 -1.225 1
1 103 . 3 1 1 B 30 30 ARG CB C 73 30.903 30.739 0.164 1
1 104 . 3 1 1 B 30 30 ARG N N 73 125.259 128.745 -3.486 1
1 105 . 3 1 1 B 31 31 VAL H H 74 8.338 8.800 -0.462 1
1 106 . 3 1 1 B 31 31 VAL CA C 74 62.185 59.169 3.016 1
1 107 . 3 1 1 B 31 31 VAL CB C 74 32.821 36.639 -3.818 1
1 108 . 3 1 1 B 31 31 VAL N N 74 122.368 119.538 2.830 1
1 109 . 3 1 1 B 32 32 THR H H 75 8.228 8.316 -0.088 1
1 110 . 3 1 1 B 32 32 THR CA C 75 61.337 59.244 2.093 1
1 111 . 3 1 1 B 32 32 THR CB C 75 69.630 71.898 -2.268 1
1 112 . 3 1 1 B 32 32 THR N N 75 118.303 110.266 8.037 1
1 113 . 3 1 1 B 33 33 LEU H H 76 8.361 8.972 -0.611 1
1 114 . 3 1 1 B 33 33 LEU CA C 76 55.083 57.594 -2.511 1
1 115 . 3 1 1 B 33 33 LEU CB C 76 42.167 41.586 0.581 1
1 116 . 3 1 1 B 33 33 LEU N N 76 124.501 122.184 2.317 1
1 117 . 3 1 1 B 34 34 ASP H H 77 8.252 8.232 0.020 1
1 118 . 3 1 1 B 34 34 ASP CA C 77 54.463 57.403 -2.940 1
1 119 . 3 1 1 B 34 34 ASP CB C 77 41.065 41.578 -0.513 1
1 120 . 3 1 1 B 34 34 ASP N N 77 120.225 119.839 0.386 1
1 121 . 3 1 1 B 35 35 GLU H H 78 8.180 7.717 0.463 1
1 122 . 3 1 1 B 35 35 GLU CA C 78 56.262 57.562 -1.300 1
1 123 . 3 1 1 B 35 35 GLU CB C 78 30.411 29.855 0.556 1
1 124 . 3 1 1 B 35 35 GLU N N 78 120.656 115.762 4.894 1
1 5 . 4 1 1 B 5 5 GLN H H 48 8.508 7.819 0.689 1
1 6 . 4 1 1 B 5 5 GLN CA C 48 55.746 55.265 0.481 1
1 7 . 4 1 1 B 5 5 GLN CB C 48 29.540 28.767 0.773 1
1 8 . 4 1 1 B 5 5 GLN N N 48 121.949 118.005 3.944 1
1 9 . 4 1 1 B 6 6 THR H H 49 8.245 8.217 0.028 1
1 10 . 4 1 1 B 6 6 THR CA C 49 61.784 62.296 -0.512 1
1 11 . 4 1 1 B 6 6 THR CB C 49 69.534 69.809 -0.275 1
1 12 . 4 1 1 B 6 6 THR N N 49 116.347 122.227 -5.880 1
1 13 . 4 1 1 B 7 7 LEU H H 50 8.322 8.808 -0.486 1
1 14 . 4 1 1 B 7 7 LEU CA C 50 54.935 56.589 -1.654 1
1 15 . 4 1 1 B 7 7 LEU CB C 50 42.296 41.901 0.395 1
1 16 . 4 1 1 B 7 7 LEU N N 50 124.968 124.075 0.893 1
1 17 . 4 1 1 B 8 8 LEU H H 51 8.306 7.437 0.869 1
1 18 . 4 1 1 B 8 8 LEU CA C 51 54.908 53.312 1.596 1
1 19 . 4 1 1 B 8 8 LEU CB C 51 42.296 43.810 -1.514 1
1 20 . 4 1 1 B 8 8 LEU N N 51 123.239 117.905 5.334 1
1 21 . 4 1 1 B 9 9 SER H H 52 8.375 9.026 -0.651 1
1 22 . 4 1 1 B 9 9 SER CA C 52 57.866 55.960 1.906 1
1 23 . 4 1 1 B 9 9 SER CB C 52 63.889 65.434 -1.545 1
1 24 . 4 1 1 B 9 9 SER N N 52 116.347 114.787 1.560 1
1 25 . 4 1 1 B 10 10 ASP H H 53 8.434 8.736 -0.302 1
1 26 . 4 1 1 B 10 10 ASP CA C 53 54.825 57.725 -2.900 1
1 27 . 4 1 1 B 10 10 ASP CB C 53 40.825 40.687 0.138 1
1 28 . 4 1 1 B 10 10 ASP N N 53 122.469 125.118 -2.649 1
1 29 . 4 1 1 B 11 11 GLU H H 54 8.384 8.667 -0.283 1
1 30 . 4 1 1 B 11 11 GLU CA C 54 57.149 58.679 -1.530 1
1 31 . 4 1 1 B 11 11 GLU CB C 54 30.127 28.462 1.665 1
1 32 . 4 1 1 B 11 11 GLU N N 54 120.496 117.007 3.489 1
1 33 . 4 1 1 B 12 12 ASP H H 55 8.222 7.813 0.409 1
1 34 . 4 1 1 B 12 12 ASP CA C 55 54.679 56.367 -1.688 1
1 35 . 4 1 1 B 12 12 ASP CB C 55 41.028 40.470 0.558 1
1 36 . 4 1 1 B 12 12 ASP N N 55 121.015 119.819 1.196 1
1 37 . 4 1 1 B 13 13 ALA H H 56 8.137 7.666 0.471 1
1 38 . 4 1 1 B 13 13 ALA CA C 56 53.158 53.250 -0.092 1
1 39 . 4 1 1 B 13 13 ALA CB C 56 19.134 18.956 0.178 1
1 40 . 4 1 1 B 13 13 ALA N N 56 124.104 121.390 2.714 1
1 41 . 4 1 1 B 14 14 GLU H H 57 8.275 7.991 0.284 1
1 42 . 4 1 1 B 14 14 GLU CA C 57 56.973 58.414 -1.441 1
1 43 . 4 1 1 B 14 14 GLU CB C 57 29.882 30.064 -0.182 1
1 44 . 4 1 1 B 14 14 GLU N N 57 118.808 118.118 0.690 1
1 45 . 4 1 1 B 15 15 LEU H H 58 8.025 8.217 -0.192 1
1 46 . 4 1 1 B 15 15 LEU CA C 58 55.578 58.106 -2.528 1
1 47 . 4 1 1 B 15 15 LEU CB C 58 41.884 41.726 0.158 1
1 48 . 4 1 1 B 15 15 LEU N N 58 122.227 120.191 2.036 1
1 49 . 4 1 1 B 16 16 VAL H H 59 7.949 7.458 0.491 1
1 50 . 4 1 1 B 16 16 VAL CA C 59 63.178 65.349 -2.171 1
1 51 . 4 1 1 B 16 16 VAL CB C 59 32.422 31.482 0.940 1
1 52 . 4 1 1 B 16 16 VAL N N 59 120.225 115.255 4.970 1
1 53 . 4 1 1 B 17 17 GLU H H 60 8.259 8.533 -0.274 1
1 54 . 4 1 1 B 17 17 GLU CA C 60 56.876 58.560 -1.684 1
1 55 . 4 1 1 B 17 17 GLU CB C 60 29.896 28.584 1.312 1
1 56 . 4 1 1 B 17 17 GLU N N 60 122.595 120.388 2.207 1
1 57 . 4 1 1 B 18 18 ILE H H 61 8.066 7.460 0.606 1
1 58 . 4 1 1 B 18 18 ILE CA C 61 61.857 64.275 -2.418 1
1 59 . 4 1 1 B 18 18 ILE CB C 61 38.266 37.871 0.395 1
1 60 . 4 1 1 B 18 18 ILE N N 61 122.128 121.485 0.643 1
1 61 . 4 1 1 B 19 19 VAL H H 62 8.111 8.136 -0.025 1
1 62 . 4 1 1 B 19 19 VAL CA C 62 63.616 65.390 -1.774 1
1 63 . 4 1 1 B 19 19 VAL CB C 62 32.098 31.403 0.695 1
1 64 . 4 1 1 B 19 19 VAL N N 62 123.554 121.024 2.530 1
1 65 . 4 1 1 B 20 20 LYS H H 63 8.235 8.149 0.086 1
1 66 . 4 1 1 B 20 20 LYS CA C 63 57.431 58.726 -1.295 1
1 67 . 4 1 1 B 20 20 LYS CB C 63 32.617 31.423 1.194 1
1 68 . 4 1 1 B 20 20 LYS N N 63 123.314 120.758 2.556 1
1 69 . 4 1 1 B 21 21 GLU H H 64 8.257 8.018 0.239 1
1 70 . 4 1 1 B 21 21 GLU CA C 64 57.310 59.217 -1.907 1
1 71 . 4 1 1 B 21 21 GLU CB C 64 29.885 29.420 0.465 1
1 72 . 4 1 1 B 21 21 GLU N N 64 120.622 119.853 0.769 1
1 73 . 4 1 1 B 22 22 ARG H H 65 8.179 7.859 0.320 1
1 74 . 4 1 1 B 22 22 ARG CA C 65 56.674 58.231 -1.557 1
1 75 . 4 1 1 B 22 22 ARG CB C 65 30.520 30.274 0.246 1
1 76 . 4 1 1 B 22 22 ARG N N 65 120.784 120.299 0.485 1
1 77 . 4 1 1 B 23 23 LEU H H 66 8.042 7.751 0.291 1
1 78 . 4 1 1 B 23 23 LEU CA C 66 55.297 55.453 -0.156 1
1 79 . 4 1 1 B 23 23 LEU CB C 66 42.087 41.901 0.186 1
1 80 . 4 1 1 B 23 23 LEU N N 66 121.246 116.864 4.382 1
1 81 . 4 1 1 B 24 24 ARG H H 67 8.073 8.711 -0.638 1
1 82 . 4 1 1 B 24 24 ARG CA C 67 56.102 57.776 -1.674 1
1 83 . 4 1 1 B 24 24 ARG CB C 67 30.732 29.384 1.348 1
1 84 . 4 1 1 B 24 24 ARG N N 67 120.656 118.067 2.589 1
1 85 . 4 1 1 B 25 25 ASN H H 68 8.191 7.740 0.451 1
1 86 . 4 1 1 B 25 25 ASN CA C 68 56.384 50.921 5.463 1
1 87 . 4 1 1 B 25 25 ASN CB C 68 41.056 38.674 2.382 1
1 88 . 4 1 1 B 25 25 ASN N N 68 120.784 117.231 3.553 1
1 89 . 4 1 1 B 26 26 PRO CA C 69 62.979 62.296 0.683 1
1 90 . 4 1 1 B 26 26 PRO CB C 69 32.101 32.589 -0.488 1
1 91 . 4 1 1 B 27 27 LYS H H 70 8.322 8.505 -0.183 1
1 92 . 4 1 1 B 27 27 LYS CA C 70 53.847 53.686 0.161 1
1 93 . 4 1 1 B 27 27 LYS CB C 70 32.330 33.251 -0.921 1
1 94 . 4 1 1 B 27 27 LYS N N 70 122.519 121.577 0.942 1
1 95 . 4 1 1 B 28 28 PRO CA C 71 62.803 62.387 0.416 1
1 96 . 4 1 1 B 28 28 PRO CB C 71 32.090 31.749 0.341 1
1 97 . 4 1 1 B 29 29 VAL H H 72 8.250 8.611 -0.361 1
1 98 . 4 1 1 B 29 29 VAL CA C 72 62.281 61.516 0.765 1
1 99 . 4 1 1 B 29 29 VAL CB C 72 32.706 32.573 0.133 1
1 100 . 4 1 1 B 29 29 VAL N N 72 120.957 124.483 -3.526 1
1 101 . 4 1 1 B 30 30 ARG H H 73 8.386 8.702 -0.316 1
1 102 . 4 1 1 B 30 30 ARG CA C 73 55.613 56.356 -0.743 1
1 103 . 4 1 1 B 30 30 ARG CB C 73 30.903 30.623 0.280 1
1 104 . 4 1 1 B 30 30 ARG N N 73 125.259 128.126 -2.867 1
1 105 . 4 1 1 B 31 31 VAL H H 74 8.338 8.838 -0.500 1
1 106 . 4 1 1 B 31 31 VAL CA C 74 62.185 59.079 3.106 1
1 107 . 4 1 1 B 31 31 VAL CB C 74 32.821 36.540 -3.719 1
1 108 . 4 1 1 B 31 31 VAL N N 74 122.368 119.535 2.833 1
1 109 . 4 1 1 B 32 32 THR H H 75 8.228 8.333 -0.105 1
1 110 . 4 1 1 B 32 32 THR CA C 75 61.337 59.254 2.083 1
1 111 . 4 1 1 B 32 32 THR CB C 75 69.630 72.065 -2.435 1
1 112 . 4 1 1 B 32 32 THR N N 75 118.303 111.200 7.103 1
1 113 . 4 1 1 B 33 33 LEU H H 76 8.361 8.965 -0.604 1
1 114 . 4 1 1 B 33 33 LEU CA C 76 55.083 57.573 -2.490 1
1 115 . 4 1 1 B 33 33 LEU CB C 76 42.167 41.483 0.684 1
1 116 . 4 1 1 B 33 33 LEU N N 76 124.501 122.022 2.479 1
1 117 . 4 1 1 B 34 34 ASP H H 77 8.252 8.192 0.060 1
1 118 . 4 1 1 B 34 34 ASP CA C 77 54.463 57.177 -2.714 1
1 119 . 4 1 1 B 34 34 ASP CB C 77 41.065 40.977 0.088 1
1 120 . 4 1 1 B 34 34 ASP N N 77 120.225 119.747 0.478 1
1 121 . 4 1 1 B 35 35 GLU H H 78 8.180 7.717 0.463 1
1 122 . 4 1 1 B 35 35 GLU CA C 78 56.262 57.046 -0.784 1
1 123 . 4 1 1 B 35 35 GLU CB C 78 30.411 29.971 0.440 1
1 124 . 4 1 1 B 35 35 GLU N N 78 120.656 115.727 4.929 1
1 5 . 5 1 1 B 5 5 GLN H H 48 8.508 9.082 -0.574 1
1 6 . 5 1 1 B 5 5 GLN CA C 48 55.746 54.006 1.740 1
1 7 . 5 1 1 B 5 5 GLN CB C 48 29.540 32.277 -2.737 1
1 8 . 5 1 1 B 5 5 GLN N N 48 121.949 125.596 -3.647 1
1 9 . 5 1 1 B 6 6 THR H H 49 8.245 8.944 -0.699 1
1 10 . 5 1 1 B 6 6 THR CA C 49 61.784 63.085 -1.301 1
1 11 . 5 1 1 B 6 6 THR CB C 49 69.534 69.435 0.099 1
1 12 . 5 1 1 B 6 6 THR N N 49 116.347 118.770 -2.423 1
1 13 . 5 1 1 B 7 7 LEU H H 50 8.322 8.764 -0.442 1
1 14 . 5 1 1 B 7 7 LEU CA C 50 54.935 55.589 -0.654 1
1 15 . 5 1 1 B 7 7 LEU CB C 50 42.296 42.162 0.134 1
1 16 . 5 1 1 B 7 7 LEU N N 50 124.968 126.344 -1.376 1
1 17 . 5 1 1 B 8 8 LEU H H 51 8.306 7.445 0.861 1
1 18 . 5 1 1 B 8 8 LEU CA C 51 54.908 53.241 1.667 1
1 19 . 5 1 1 B 8 8 LEU CB C 51 42.296 44.158 -1.862 1
1 20 . 5 1 1 B 8 8 LEU N N 51 123.239 116.082 7.157 1
1 21 . 5 1 1 B 9 9 SER H H 52 8.375 8.908 -0.533 1
1 22 . 5 1 1 B 9 9 SER CA C 52 57.866 56.178 1.688 1
1 23 . 5 1 1 B 9 9 SER CB C 52 63.889 65.605 -1.716 1
1 24 . 5 1 1 B 9 9 SER N N 52 116.347 115.299 1.048 1
1 25 . 5 1 1 B 10 10 ASP H H 53 8.434 9.134 -0.700 1
1 26 . 5 1 1 B 10 10 ASP CA C 53 54.825 57.025 -2.200 1
1 27 . 5 1 1 B 10 10 ASP CB C 53 40.825 40.059 0.766 1
1 28 . 5 1 1 B 10 10 ASP N N 53 122.469 122.291 0.178 1
1 29 . 5 1 1 B 11 11 GLU H H 54 8.384 8.448 -0.064 1
1 30 . 5 1 1 B 11 11 GLU CA C 54 57.149 59.450 -2.301 1
1 31 . 5 1 1 B 11 11 GLU CB C 54 30.127 29.268 0.859 1
1 32 . 5 1 1 B 11 11 GLU N N 54 120.496 118.810 1.686 1
1 33 . 5 1 1 B 12 12 ASP H H 55 8.222 7.981 0.241 1
1 34 . 5 1 1 B 12 12 ASP CA C 55 54.679 57.240 -2.561 1
1 35 . 5 1 1 B 12 12 ASP CB C 55 41.028 40.086 0.942 1
1 36 . 5 1 1 B 12 12 ASP N N 55 121.015 120.585 0.430 1
1 37 . 5 1 1 B 13 13 ALA H H 56 8.137 7.875 0.262 1
1 38 . 5 1 1 B 13 13 ALA CA C 56 53.158 54.853 -1.695 1
1 39 . 5 1 1 B 13 13 ALA CB C 56 19.134 18.093 1.041 1
1 40 . 5 1 1 B 13 13 ALA N N 56 124.104 122.640 1.464 1
1 41 . 5 1 1 B 14 14 GLU H H 57 8.275 7.606 0.669 1
1 42 . 5 1 1 B 14 14 GLU CA C 57 56.973 59.208 -2.235 1
1 43 . 5 1 1 B 14 14 GLU CB C 57 29.882 30.247 -0.365 1
1 44 . 5 1 1 B 14 14 GLU N N 57 118.808 117.939 0.869 1
1 45 . 5 1 1 B 15 15 LEU H H 58 8.025 8.039 -0.014 1
1 46 . 5 1 1 B 15 15 LEU CA C 58 55.578 58.001 -2.423 1
1 47 . 5 1 1 B 15 15 LEU CB C 58 41.884 41.290 0.594 1
1 48 . 5 1 1 B 15 15 LEU N N 58 122.227 120.317 1.910 1
1 49 . 5 1 1 B 16 16 VAL H H 59 7.949 7.762 0.187 1
1 50 . 5 1 1 B 16 16 VAL CA C 59 63.178 65.459 -2.281 1
1 51 . 5 1 1 B 16 16 VAL CB C 59 32.422 31.432 0.990 1
1 52 . 5 1 1 B 16 16 VAL N N 59 120.225 115.746 4.479 1
1 53 . 5 1 1 B 17 17 GLU H H 60 8.259 8.086 0.173 1
1 54 . 5 1 1 B 17 17 GLU CA C 60 56.876 58.747 -1.871 1
1 55 . 5 1 1 B 17 17 GLU CB C 60 29.896 29.208 0.688 1
1 56 . 5 1 1 B 17 17 GLU N N 60 122.595 120.088 2.507 1
1 57 . 5 1 1 B 18 18 ILE H H 61 8.066 7.636 0.430 1
1 58 . 5 1 1 B 18 18 ILE CA C 61 61.857 64.222 -2.365 1
1 59 . 5 1 1 B 18 18 ILE CB C 61 38.266 37.423 0.843 1
1 60 . 5 1 1 B 18 18 ILE N N 61 122.128 121.450 0.678 1
1 61 . 5 1 1 B 19 19 VAL H H 62 8.111 8.083 0.028 1
1 62 . 5 1 1 B 19 19 VAL CA C 62 63.616 65.459 -1.843 1
1 63 . 5 1 1 B 19 19 VAL CB C 62 32.098 31.406 0.692 1
1 64 . 5 1 1 B 19 19 VAL N N 62 123.554 121.475 2.079 1
1 65 . 5 1 1 B 20 20 LYS H H 63 8.235 8.024 0.211 1
1 66 . 5 1 1 B 20 20 LYS CA C 63 57.431 58.916 -1.485 1
1 67 . 5 1 1 B 20 20 LYS CB C 63 32.617 31.966 0.651 1
1 68 . 5 1 1 B 20 20 LYS N N 63 123.314 120.028 3.286 1
1 69 . 5 1 1 B 21 21 GLU H H 64 8.257 8.035 0.222 1
1 70 . 5 1 1 B 21 21 GLU CA C 64 57.310 59.265 -1.955 1
1 71 . 5 1 1 B 21 21 GLU CB C 64 29.885 29.357 0.528 1
1 72 . 5 1 1 B 21 21 GLU N N 64 120.622 119.498 1.124 1
1 73 . 5 1 1 B 22 22 ARG H H 65 8.179 7.826 0.353 1
1 74 . 5 1 1 B 22 22 ARG CA C 65 56.674 58.251 -1.577 1
1 75 . 5 1 1 B 22 22 ARG CB C 65 30.520 30.334 0.186 1
1 76 . 5 1 1 B 22 22 ARG N N 65 120.784 120.333 0.451 1
1 77 . 5 1 1 B 23 23 LEU H H 66 8.042 7.715 0.327 1
1 78 . 5 1 1 B 23 23 LEU CA C 66 55.297 55.273 0.024 1
1 79 . 5 1 1 B 23 23 LEU CB C 66 42.087 41.913 0.174 1
1 80 . 5 1 1 B 23 23 LEU N N 66 121.246 116.817 4.429 1
1 81 . 5 1 1 B 24 24 ARG H H 67 8.073 8.482 -0.409 1
1 82 . 5 1 1 B 24 24 ARG CA C 67 56.102 57.748 -1.646 1
1 83 . 5 1 1 B 24 24 ARG CB C 67 30.732 29.509 1.223 1
1 84 . 5 1 1 B 24 24 ARG N N 67 120.656 117.650 3.006 1
1 85 . 5 1 1 B 25 25 ASN H H 68 8.191 7.834 0.357 1
1 86 . 5 1 1 B 25 25 ASN CA C 68 56.384 51.176 5.208 1
1 87 . 5 1 1 B 25 25 ASN CB C 68 41.056 38.956 2.100 1
1 88 . 5 1 1 B 25 25 ASN N N 68 120.784 117.505 3.279 1
1 89 . 5 1 1 B 26 26 PRO CA C 69 62.979 65.775 -2.796 1
1 90 . 5 1 1 B 26 26 PRO CB C 69 32.101 31.675 0.426 1
1 91 . 5 1 1 B 27 27 LYS H H 70 8.322 7.960 0.362 1
1 92 . 5 1 1 B 27 27 LYS CA C 70 53.847 56.497 -2.650 1
1 93 . 5 1 1 B 27 27 LYS CB C 70 32.330 30.671 1.659 1
1 94 . 5 1 1 B 27 27 LYS N N 70 122.519 115.742 6.777 1
1 95 . 5 1 1 B 28 28 PRO CA C 71 62.803 62.264 0.539 1
1 96 . 5 1 1 B 28 28 PRO CB C 71 32.090 32.918 -0.828 1
1 97 . 5 1 1 B 29 29 VAL H H 72 8.250 8.491 -0.241 1
1 98 . 5 1 1 B 29 29 VAL CA C 72 62.281 60.814 1.467 1
1 99 . 5 1 1 B 29 29 VAL CB C 72 32.706 34.015 -1.309 1
1 100 . 5 1 1 B 29 29 VAL N N 72 120.957 121.740 -0.783 1
1 101 . 5 1 1 B 30 30 ARG H H 73 8.386 8.664 -0.278 1
1 102 . 5 1 1 B 30 30 ARG CA C 73 55.613 56.643 -1.030 1
1 103 . 5 1 1 B 30 30 ARG CB C 73 30.903 30.644 0.259 1
1 104 . 5 1 1 B 30 30 ARG N N 73 125.259 128.374 -3.115 1
1 105 . 5 1 1 B 31 31 VAL H H 74 8.338 8.828 -0.490 1
1 106 . 5 1 1 B 31 31 VAL CA C 74 62.185 59.324 2.861 1
1 107 . 5 1 1 B 31 31 VAL CB C 74 32.821 36.069 -3.248 1
1 108 . 5 1 1 B 31 31 VAL N N 74 122.368 119.993 2.375 1
1 109 . 5 1 1 B 32 32 THR H H 75 8.228 8.292 -0.064 1
1 110 . 5 1 1 B 32 32 THR CA C 75 61.337 59.174 2.163 1
1 111 . 5 1 1 B 32 32 THR CB C 75 69.630 71.913 -2.283 1
1 112 . 5 1 1 B 32 32 THR N N 75 118.303 111.130 7.173 1
1 113 . 5 1 1 B 33 33 LEU H H 76 8.361 8.954 -0.593 1
1 114 . 5 1 1 B 33 33 LEU CA C 76 55.083 57.757 -2.674 1
1 115 . 5 1 1 B 33 33 LEU CB C 76 42.167 41.477 0.690 1
1 116 . 5 1 1 B 33 33 LEU N N 76 124.501 122.697 1.804 1
1 117 . 5 1 1 B 34 34 ASP H H 77 8.252 8.330 -0.078 1
1 118 . 5 1 1 B 34 34 ASP CA C 77 54.463 57.910 -3.447 1
1 119 . 5 1 1 B 34 34 ASP CB C 77 41.065 42.097 -1.032 1
1 120 . 5 1 1 B 34 34 ASP N N 77 120.225 119.758 0.467 1
1 121 . 5 1 1 B 35 35 GLU H H 78 8.180 8.195 -0.015 1
1 122 . 5 1 1 B 35 35 GLU CA C 78 56.262 57.635 -1.373 1
1 123 . 5 1 1 B 35 35 GLU CB C 78 30.411 29.755 0.656 1
1 124 . 5 1 1 B 35 35 GLU N N 78 120.656 115.746 4.910 1
1 5 . 6 1 1 B 5 5 GLN H H 48 8.508 8.562 -0.054 1
1 6 . 6 1 1 B 5 5 GLN CA C 48 55.746 54.482 1.264 1
1 7 . 6 1 1 B 5 5 GLN CB C 48 29.540 32.147 -2.607 1
1 8 . 6 1 1 B 5 5 GLN N N 48 121.949 121.247 0.702 1
1 9 . 6 1 1 B 6 6 THR H H 49 8.245 8.573 -0.328 1
1 10 . 6 1 1 B 6 6 THR CA C 49 61.784 60.883 0.901 1
1 11 . 6 1 1 B 6 6 THR CB C 49 69.534 69.634 -0.100 1
1 12 . 6 1 1 B 6 6 THR N N 49 116.347 113.666 2.681 1
1 13 . 6 1 1 B 7 7 LEU H H 50 8.322 8.917 -0.595 1
1 14 . 6 1 1 B 7 7 LEU CA C 50 54.935 54.401 0.534 1
1 15 . 6 1 1 B 7 7 LEU CB C 50 42.296 42.609 -0.313 1
1 16 . 6 1 1 B 7 7 LEU N N 50 124.968 128.373 -3.405 1
1 17 . 6 1 1 B 8 8 LEU H H 51 8.306 7.683 0.623 1
1 18 . 6 1 1 B 8 8 LEU CA C 51 54.908 53.374 1.534 1
1 19 . 6 1 1 B 8 8 LEU CB C 51 42.296 46.287 -3.991 1
1 20 . 6 1 1 B 8 8 LEU N N 51 123.239 117.785 5.454 1
1 21 . 6 1 1 B 9 9 SER H H 52 8.375 9.535 -1.160 1
1 22 . 6 1 1 B 9 9 SER CA C 52 57.866 59.097 -1.231 1
1 23 . 6 1 1 B 9 9 SER CB C 52 63.889 63.643 0.246 1
1 24 . 6 1 1 B 9 9 SER N N 52 116.347 114.778 1.569 1
1 25 . 6 1 1 B 10 10 ASP H H 53 8.434 8.674 -0.240 1
1 26 . 6 1 1 B 10 10 ASP CA C 53 54.825 54.648 0.177 1
1 27 . 6 1 1 B 10 10 ASP CB C 53 40.825 42.306 -1.481 1
1 28 . 6 1 1 B 10 10 ASP N N 53 122.469 121.541 0.928 1
1 29 . 6 1 1 B 11 11 GLU H H 54 8.384 8.390 -0.006 1
1 30 . 6 1 1 B 11 11 GLU CA C 54 57.149 59.495 -2.346 1
1 31 . 6 1 1 B 11 11 GLU CB C 54 30.127 29.150 0.977 1
1 32 . 6 1 1 B 11 11 GLU N N 54 120.496 119.289 1.207 1
1 33 . 6 1 1 B 12 12 ASP H H 55 8.222 8.148 0.074 1
1 34 . 6 1 1 B 12 12 ASP CA C 55 54.679 56.907 -2.228 1
1 35 . 6 1 1 B 12 12 ASP CB C 55 41.028 40.359 0.669 1
1 36 . 6 1 1 B 12 12 ASP N N 55 121.015 120.552 0.463 1
1 37 . 6 1 1 B 13 13 ALA H H 56 8.137 8.026 0.111 1
1 38 . 6 1 1 B 13 13 ALA CA C 56 53.158 54.975 -1.817 1
1 39 . 6 1 1 B 13 13 ALA CB C 56 19.134 18.280 0.854 1
1 40 . 6 1 1 B 13 13 ALA N N 56 124.104 122.593 1.511 1
1 41 . 6 1 1 B 14 14 GLU H H 57 8.275 7.628 0.647 1
1 42 . 6 1 1 B 14 14 GLU CA C 57 56.973 58.360 -1.387 1
1 43 . 6 1 1 B 14 14 GLU CB C 57 29.882 29.791 0.091 1
1 44 . 6 1 1 B 14 14 GLU N N 57 118.808 118.009 0.799 1
1 45 . 6 1 1 B 15 15 LEU H H 58 8.025 8.222 -0.197 1
1 46 . 6 1 1 B 15 15 LEU CA C 58 55.578 58.117 -2.539 1
1 47 . 6 1 1 B 15 15 LEU CB C 58 41.884 41.407 0.477 1
1 48 . 6 1 1 B 15 15 LEU N N 58 122.227 120.111 2.116 1
1 49 . 6 1 1 B 16 16 VAL H H 59 7.949 7.829 0.120 1
1 50 . 6 1 1 B 16 16 VAL CA C 59 63.178 65.566 -2.388 1
1 51 . 6 1 1 B 16 16 VAL CB C 59 32.422 31.432 0.990 1
1 52 . 6 1 1 B 16 16 VAL N N 59 120.225 115.403 4.822 1
1 53 . 6 1 1 B 17 17 GLU H H 60 8.259 8.260 -0.001 1
1 54 . 6 1 1 B 17 17 GLU CA C 60 56.876 59.082 -2.206 1
1 55 . 6 1 1 B 17 17 GLU CB C 60 29.896 29.256 0.640 1
1 56 . 6 1 1 B 17 17 GLU N N 60 122.595 120.746 1.849 1
1 57 . 6 1 1 B 18 18 ILE H H 61 8.066 7.953 0.113 1
1 58 . 6 1 1 B 18 18 ILE CA C 61 61.857 65.106 -3.249 1
1 59 . 6 1 1 B 18 18 ILE CB C 61 38.266 38.025 0.241 1
1 60 . 6 1 1 B 18 18 ILE N N 61 122.128 121.416 0.712 1
1 61 . 6 1 1 B 19 19 VAL H H 62 8.111 8.136 -0.025 1
1 62 . 6 1 1 B 19 19 VAL CA C 62 63.616 65.343 -1.727 1
1 63 . 6 1 1 B 19 19 VAL CB C 62 32.098 31.416 0.682 1
1 64 . 6 1 1 B 19 19 VAL N N 62 123.554 121.183 2.371 1
1 65 . 6 1 1 B 20 20 LYS H H 63 8.235 7.979 0.256 1
1 66 . 6 1 1 B 20 20 LYS CA C 63 57.431 58.795 -1.364 1
1 67 . 6 1 1 B 20 20 LYS CB C 63 32.617 31.802 0.815 1
1 68 . 6 1 1 B 20 20 LYS N N 63 123.314 120.523 2.791 1
1 69 . 6 1 1 B 21 21 GLU H H 64 8.257 7.987 0.270 1
1 70 . 6 1 1 B 21 21 GLU CA C 64 57.310 59.233 -1.923 1
1 71 . 6 1 1 B 21 21 GLU CB C 64 29.885 29.207 0.678 1
1 72 . 6 1 1 B 21 21 GLU N N 64 120.622 119.728 0.894 1
1 73 . 6 1 1 B 22 22 ARG H H 65 8.179 7.719 0.460 1
1 74 . 6 1 1 B 22 22 ARG CA C 65 56.674 56.705 -0.031 1
1 75 . 6 1 1 B 22 22 ARG CB C 65 30.520 30.617 -0.097 1
1 76 . 6 1 1 B 22 22 ARG N N 65 120.784 118.469 2.315 1
1 77 . 6 1 1 B 23 23 LEU H H 66 8.042 7.965 0.077 1
1 78 . 6 1 1 B 23 23 LEU CA C 66 55.297 57.055 -1.758 1
1 79 . 6 1 1 B 23 23 LEU CB C 66 42.087 41.388 0.699 1
1 80 . 6 1 1 B 23 23 LEU N N 66 121.246 121.334 -0.088 1
1 81 . 6 1 1 B 24 24 ARG H H 67 8.073 8.454 -0.381 1
1 82 . 6 1 1 B 24 24 ARG CA C 67 56.102 57.646 -1.544 1
1 83 . 6 1 1 B 24 24 ARG CB C 67 30.732 29.865 0.867 1
1 84 . 6 1 1 B 24 24 ARG N N 67 120.656 116.969 3.687 1
1 85 . 6 1 1 B 25 25 ASN H H 68 8.191 7.419 0.772 1
1 86 . 6 1 1 B 25 25 ASN CA C 68 56.384 51.399 4.985 1
1 87 . 6 1 1 B 25 25 ASN CB C 68 41.056 38.734 2.322 1
1 88 . 6 1 1 B 25 25 ASN N N 68 120.784 117.553 3.231 1
1 89 . 6 1 1 B 26 26 PRO CA C 69 62.979 65.602 -2.623 1
1 90 . 6 1 1 B 26 26 PRO CB C 69 32.101 31.839 0.262 1
1 91 . 6 1 1 B 27 27 LYS H H 70 8.322 7.959 0.363 1
1 92 . 6 1 1 B 27 27 LYS CA C 70 53.847 56.506 -2.659 1
1 93 . 6 1 1 B 27 27 LYS CB C 70 32.330 31.016 1.314 1
1 94 . 6 1 1 B 27 27 LYS N N 70 122.519 115.762 6.757 1
1 95 . 6 1 1 B 28 28 PRO CA C 71 62.803 62.310 0.493 1
1 96 . 6 1 1 B 28 28 PRO CB C 71 32.090 32.434 -0.344 1
1 97 . 6 1 1 B 29 29 VAL H H 72 8.250 8.669 -0.419 1
1 98 . 6 1 1 B 29 29 VAL CA C 72 62.281 61.277 1.004 1
1 99 . 6 1 1 B 29 29 VAL CB C 72 32.706 32.816 -0.110 1
1 100 . 6 1 1 B 29 29 VAL N N 72 120.957 123.953 -2.996 1
1 101 . 6 1 1 B 30 30 ARG H H 73 8.386 8.756 -0.370 1
1 102 . 6 1 1 B 30 30 ARG CA C 73 55.613 55.920 -0.307 1
1 103 . 6 1 1 B 30 30 ARG CB C 73 30.903 30.630 0.273 1
1 104 . 6 1 1 B 30 30 ARG N N 73 125.259 128.379 -3.120 1
1 105 . 6 1 1 B 31 31 VAL H H 74 8.338 8.924 -0.586 1
1 106 . 6 1 1 B 31 31 VAL CA C 74 62.185 59.639 2.546 1
1 107 . 6 1 1 B 31 31 VAL CB C 74 32.821 35.854 -3.033 1
1 108 . 6 1 1 B 31 31 VAL N N 74 122.368 120.154 2.214 1
1 109 . 6 1 1 B 32 32 THR H H 75 8.228 8.291 -0.063 1
1 110 . 6 1 1 B 32 32 THR CA C 75 61.337 59.159 2.178 1
1 111 . 6 1 1 B 32 32 THR CB C 75 69.630 71.795 -2.165 1
1 112 . 6 1 1 B 32 32 THR N N 75 118.303 110.132 8.171 1
1 113 . 6 1 1 B 33 33 LEU H H 76 8.361 8.956 -0.595 1
1 114 . 6 1 1 B 33 33 LEU CA C 76 55.083 57.568 -2.485 1
1 115 . 6 1 1 B 33 33 LEU CB C 76 42.167 41.568 0.599 1
1 116 . 6 1 1 B 33 33 LEU N N 76 124.501 122.133 2.368 1
1 117 . 6 1 1 B 34 34 ASP H H 77 8.252 8.178 0.074 1
1 118 . 6 1 1 B 34 34 ASP CA C 77 54.463 57.072 -2.609 1
1 119 . 6 1 1 B 34 34 ASP CB C 77 41.065 41.205 -0.140 1
1 120 . 6 1 1 B 34 34 ASP N N 77 120.225 119.698 0.527 1
1 121 . 6 1 1 B 35 35 GLU H H 78 8.180 8.137 0.043 1
1 122 . 6 1 1 B 35 35 GLU CA C 78 56.262 57.631 -1.369 1
1 123 . 6 1 1 B 35 35 GLU CB C 78 30.411 29.741 0.670 1
1 124 . 6 1 1 B 35 35 GLU N N 78 120.656 116.264 4.392 1
1 5 . 7 1 1 B 5 5 GLN H H 48 8.508 9.041 -0.533 1
1 6 . 7 1 1 B 5 5 GLN CA C 48 55.746 57.056 -1.310 1
1 7 . 7 1 1 B 5 5 GLN CB C 48 29.540 31.363 -1.823 1
1 8 . 7 1 1 B 5 5 GLN N N 48 121.949 123.398 -1.449 1
1 9 . 7 1 1 B 6 6 THR H H 49 8.245 7.523 0.722 1
1 10 . 7 1 1 B 6 6 THR CA C 49 61.784 60.707 1.077 1
1 11 . 7 1 1 B 6 6 THR CB C 49 69.534 69.749 -0.215 1
1 12 . 7 1 1 B 6 6 THR N N 49 116.347 109.958 6.389 1
1 13 . 7 1 1 B 7 7 LEU H H 50 8.322 8.765 -0.443 1
1 14 . 7 1 1 B 7 7 LEU CA C 50 54.935 54.477 0.458 1
1 15 . 7 1 1 B 7 7 LEU CB C 50 42.296 40.494 1.802 1
1 16 . 7 1 1 B 7 7 LEU N N 50 124.968 125.184 -0.216 1
1 17 . 7 1 1 B 8 8 LEU H H 51 8.306 8.017 0.289 1
1 18 . 7 1 1 B 8 8 LEU CA C 51 54.908 53.279 1.629 1
1 19 . 7 1 1 B 8 8 LEU CB C 51 42.296 44.026 -1.730 1
1 20 . 7 1 1 B 8 8 LEU N N 51 123.239 121.484 1.755 1
1 21 . 7 1 1 B 9 9 SER H H 52 8.375 9.044 -0.669 1
1 22 . 7 1 1 B 9 9 SER CA C 52 57.866 56.188 1.678 1
1 23 . 7 1 1 B 9 9 SER CB C 52 63.889 65.055 -1.166 1
1 24 . 7 1 1 B 9 9 SER N N 52 116.347 114.784 1.563 1
1 25 . 7 1 1 B 10 10 ASP H H 53 8.434 8.749 -0.315 1
1 26 . 7 1 1 B 10 10 ASP CA C 53 54.825 54.325 0.500 1
1 27 . 7 1 1 B 10 10 ASP CB C 53 40.825 41.163 -0.338 1
1 28 . 7 1 1 B 10 10 ASP N N 53 122.469 122.182 0.287 1
1 29 . 7 1 1 B 11 11 GLU H H 54 8.384 8.657 -0.273 1
1 30 . 7 1 1 B 11 11 GLU CA C 54 57.149 59.467 -2.318 1
1 31 . 7 1 1 B 11 11 GLU CB C 54 30.127 28.937 1.190 1
1 32 . 7 1 1 B 11 11 GLU N N 54 120.496 119.428 1.068 1
1 33 . 7 1 1 B 12 12 ASP H H 55 8.222 8.211 0.011 1
1 34 . 7 1 1 B 12 12 ASP CA C 55 54.679 57.136 -2.457 1
1 35 . 7 1 1 B 12 12 ASP CB C 55 41.028 40.245 0.783 1
1 36 . 7 1 1 B 12 12 ASP N N 55 121.015 120.595 0.420 1
1 37 . 7 1 1 B 13 13 ALA H H 56 8.137 7.953 0.184 1
1 38 . 7 1 1 B 13 13 ALA CA C 56 53.158 54.666 -1.508 1
1 39 . 7 1 1 B 13 13 ALA CB C 56 19.134 18.206 0.928 1
1 40 . 7 1 1 B 13 13 ALA N N 56 124.104 122.801 1.303 1
1 41 . 7 1 1 B 14 14 GLU H H 57 8.275 7.651 0.624 1
1 42 . 7 1 1 B 14 14 GLU CA C 57 56.973 58.476 -1.503 1
1 43 . 7 1 1 B 14 14 GLU CB C 57 29.882 29.933 -0.051 1
1 44 . 7 1 1 B 14 14 GLU N N 57 118.808 117.838 0.970 1
1 45 . 7 1 1 B 15 15 LEU H H 58 8.025 8.166 -0.141 1
1 46 . 7 1 1 B 15 15 LEU CA C 58 55.578 58.117 -2.539 1
1 47 . 7 1 1 B 15 15 LEU CB C 58 41.884 41.444 0.440 1
1 48 . 7 1 1 B 15 15 LEU N N 58 122.227 120.372 1.855 1
1 49 . 7 1 1 B 16 16 VAL H H 59 7.949 7.845 0.104 1
1 50 . 7 1 1 B 16 16 VAL CA C 59 63.178 65.398 -2.220 1
1 51 . 7 1 1 B 16 16 VAL CB C 59 32.422 31.430 0.992 1
1 52 . 7 1 1 B 16 16 VAL N N 59 120.225 115.371 4.854 1
1 53 . 7 1 1 B 17 17 GLU H H 60 8.259 8.028 0.231 1
1 54 . 7 1 1 B 17 17 GLU CA C 60 56.876 59.047 -2.171 1
1 55 . 7 1 1 B 17 17 GLU CB C 60 29.896 29.188 0.708 1
1 56 . 7 1 1 B 17 17 GLU N N 60 122.595 120.446 2.149 1
1 57 . 7 1 1 B 18 18 ILE H H 61 8.066 7.728 0.338 1
1 58 . 7 1 1 B 18 18 ILE CA C 61 61.857 65.005 -3.148 1
1 59 . 7 1 1 B 18 18 ILE CB C 61 38.266 37.855 0.411 1
1 60 . 7 1 1 B 18 18 ILE N N 61 122.128 121.520 0.608 1
1 61 . 7 1 1 B 19 19 VAL H H 62 8.111 8.181 -0.070 1
1 62 . 7 1 1 B 19 19 VAL CA C 62 63.616 65.288 -1.672 1
1 63 . 7 1 1 B 19 19 VAL CB C 62 32.098 31.584 0.514 1
1 64 . 7 1 1 B 19 19 VAL N N 62 123.554 121.606 1.948 1
1 65 . 7 1 1 B 20 20 LYS H H 63 8.235 8.041 0.194 1
1 66 . 7 1 1 B 20 20 LYS CA C 63 57.431 58.885 -1.454 1
1 67 . 7 1 1 B 20 20 LYS CB C 63 32.617 31.898 0.719 1
1 68 . 7 1 1 B 20 20 LYS N N 63 123.314 120.605 2.709 1
1 69 . 7 1 1 B 21 21 GLU H H 64 8.257 7.843 0.414 1
1 70 . 7 1 1 B 21 21 GLU CA C 64 57.310 59.334 -2.024 1
1 71 . 7 1 1 B 21 21 GLU CB C 64 29.885 29.340 0.545 1
1 72 . 7 1 1 B 21 21 GLU N N 64 120.622 119.677 0.945 1
1 73 . 7 1 1 B 22 22 ARG H H 65 8.179 8.028 0.151 1
1 74 . 7 1 1 B 22 22 ARG CA C 65 56.674 58.290 -1.616 1
1 75 . 7 1 1 B 22 22 ARG CB C 65 30.520 30.256 0.264 1
1 76 . 7 1 1 B 22 22 ARG N N 65 120.784 119.986 0.798 1
1 77 . 7 1 1 B 23 23 LEU H H 66 8.042 7.828 0.214 1
1 78 . 7 1 1 B 23 23 LEU CA C 66 55.297 55.815 -0.518 1
1 79 . 7 1 1 B 23 23 LEU CB C 66 42.087 41.764 0.323 1
1 80 . 7 1 1 B 23 23 LEU N N 66 121.246 116.899 4.347 1
1 81 . 7 1 1 B 24 24 ARG H H 67 8.073 8.279 -0.206 1
1 82 . 7 1 1 B 24 24 ARG CA C 67 56.102 57.450 -1.348 1
1 83 . 7 1 1 B 24 24 ARG CB C 67 30.732 30.707 0.025 1
1 84 . 7 1 1 B 24 24 ARG N N 67 120.656 116.528 4.128 1
1 85 . 7 1 1 B 25 25 ASN H H 68 8.191 7.682 0.509 1
1 86 . 7 1 1 B 25 25 ASN CA C 68 56.384 50.957 5.427 1
1 87 . 7 1 1 B 25 25 ASN CB C 68 41.056 38.269 2.787 1
1 88 . 7 1 1 B 25 25 ASN N N 68 120.784 117.470 3.314 1
1 89 . 7 1 1 B 26 26 PRO CA C 69 62.979 65.688 -2.709 1
1 90 . 7 1 1 B 26 26 PRO CB C 69 32.101 31.788 0.313 1
1 91 . 7 1 1 B 27 27 LYS H H 70 8.322 7.961 0.361 1
1 92 . 7 1 1 B 27 27 LYS CA C 70 53.847 56.535 -2.688 1
1 93 . 7 1 1 B 27 27 LYS CB C 70 32.330 31.041 1.289 1
1 94 . 7 1 1 B 27 27 LYS N N 70 122.519 115.130 7.389 1
1 95 . 7 1 1 B 28 28 PRO CA C 71 62.803 62.362 0.441 1
1 96 . 7 1 1 B 28 28 PRO CB C 71 32.090 32.737 -0.647 1
1 97 . 7 1 1 B 29 29 VAL H H 72 8.250 8.504 -0.254 1
1 98 . 7 1 1 B 29 29 VAL CA C 72 62.281 61.133 1.148 1
1 99 . 7 1 1 B 29 29 VAL CB C 72 32.706 33.505 -0.799 1
1 100 . 7 1 1 B 29 29 VAL N N 72 120.957 121.476 -0.519 1
1 101 . 7 1 1 B 30 30 ARG H H 73 8.386 8.713 -0.327 1
1 102 . 7 1 1 B 30 30 ARG CA C 73 55.613 56.338 -0.725 1
1 103 . 7 1 1 B 30 30 ARG CB C 73 30.903 30.614 0.289 1
1 104 . 7 1 1 B 30 30 ARG N N 73 125.259 128.518 -3.259 1
1 105 . 7 1 1 B 31 31 VAL H H 74 8.338 8.867 -0.529 1
1 106 . 7 1 1 B 31 31 VAL CA C 74 62.185 59.315 2.870 1
1 107 . 7 1 1 B 31 31 VAL CB C 74 32.821 36.090 -3.269 1
1 108 . 7 1 1 B 31 31 VAL N N 74 122.368 120.042 2.326 1
1 109 . 7 1 1 B 32 32 THR H H 75 8.228 8.204 0.024 1
1 110 . 7 1 1 B 32 32 THR CA C 75 61.337 59.239 2.098 1
1 111 . 7 1 1 B 32 32 THR CB C 75 69.630 72.002 -2.372 1
1 112 . 7 1 1 B 32 32 THR N N 75 118.303 110.150 8.153 1
1 113 . 7 1 1 B 33 33 LEU H H 76 8.361 8.916 -0.555 1
1 114 . 7 1 1 B 33 33 LEU CA C 76 55.083 57.716 -2.633 1
1 115 . 7 1 1 B 33 33 LEU CB C 76 42.167 41.617 0.550 1
1 116 . 7 1 1 B 33 33 LEU N N 76 124.501 122.151 2.350 1
1 117 . 7 1 1 B 34 34 ASP H H 77 8.252 8.151 0.101 1
1 118 . 7 1 1 B 34 34 ASP CA C 77 54.463 57.464 -3.001 1
1 119 . 7 1 1 B 34 34 ASP CB C 77 41.065 41.483 -0.418 1
1 120 . 7 1 1 B 34 34 ASP N N 77 120.225 119.789 0.436 1
1 121 . 7 1 1 B 35 35 GLU H H 78 8.180 8.154 0.026 1
1 122 . 7 1 1 B 35 35 GLU CA C 78 56.262 57.776 -1.514 1
1 123 . 7 1 1 B 35 35 GLU CB C 78 30.411 29.750 0.661 1
1 124 . 7 1 1 B 35 35 GLU N N 78 120.656 116.221 4.435 1
1 5 . 8 1 1 B 5 5 GLN H H 48 8.508 8.568 -0.060 1
1 6 . 8 1 1 B 5 5 GLN CA C 48 55.746 55.773 -0.027 1
1 7 . 8 1 1 B 5 5 GLN CB C 48 29.540 33.018 -3.478 1
1 8 . 8 1 1 B 5 5 GLN N N 48 121.949 123.062 -1.113 1
1 9 . 8 1 1 B 6 6 THR H H 49 8.245 8.573 -0.328 1
1 10 . 8 1 1 B 6 6 THR CA C 49 61.784 60.835 0.949 1
1 11 . 8 1 1 B 6 6 THR CB C 49 69.534 69.536 -0.002 1
1 12 . 8 1 1 B 6 6 THR N N 49 116.347 116.749 -0.402 1
1 13 . 8 1 1 B 7 7 LEU H H 50 8.322 8.983 -0.661 1
1 14 . 8 1 1 B 7 7 LEU CA C 50 54.935 54.280 0.655 1
1 15 . 8 1 1 B 7 7 LEU CB C 50 42.296 40.355 1.941 1
1 16 . 8 1 1 B 7 7 LEU N N 50 124.968 128.076 -3.108 1
1 17 . 8 1 1 B 8 8 LEU H H 51 8.306 8.429 -0.123 1
1 18 . 8 1 1 B 8 8 LEU CA C 51 54.908 52.767 2.141 1
1 19 . 8 1 1 B 8 8 LEU CB C 51 42.296 46.199 -3.903 1
1 20 . 8 1 1 B 8 8 LEU N N 51 123.239 120.925 2.314 1
1 21 . 8 1 1 B 9 9 SER H H 52 8.375 9.224 -0.849 1
1 22 . 8 1 1 B 9 9 SER CA C 52 57.866 56.096 1.770 1
1 23 . 8 1 1 B 9 9 SER CB C 52 63.889 65.327 -1.438 1
1 24 . 8 1 1 B 9 9 SER N N 52 116.347 114.739 1.608 1
1 25 . 8 1 1 B 10 10 ASP H H 53 8.434 8.756 -0.322 1
1 26 . 8 1 1 B 10 10 ASP CA C 53 54.825 57.115 -2.290 1
1 27 . 8 1 1 B 10 10 ASP CB C 53 40.825 40.794 0.031 1
1 28 . 8 1 1 B 10 10 ASP N N 53 122.469 125.040 -2.571 1
1 29 . 8 1 1 B 11 11 GLU H H 54 8.384 8.447 -0.063 1
1 30 . 8 1 1 B 11 11 GLU CA C 54 57.149 59.522 -2.373 1
1 31 . 8 1 1 B 11 11 GLU CB C 54 30.127 29.015 1.112 1
1 32 . 8 1 1 B 11 11 GLU N N 54 120.496 117.544 2.952 1
1 33 . 8 1 1 B 12 12 ASP H H 55 8.222 7.982 0.240 1
1 34 . 8 1 1 B 12 12 ASP CA C 55 54.679 57.124 -2.445 1
1 35 . 8 1 1 B 12 12 ASP CB C 55 41.028 40.249 0.779 1
1 36 . 8 1 1 B 12 12 ASP N N 55 121.015 120.551 0.464 1
1 37 . 8 1 1 B 13 13 ALA H H 56 8.137 7.875 0.262 1
1 38 . 8 1 1 B 13 13 ALA CA C 56 53.158 54.594 -1.436 1
1 39 . 8 1 1 B 13 13 ALA CB C 56 19.134 18.264 0.870 1
1 40 . 8 1 1 B 13 13 ALA N N 56 124.104 122.640 1.464 1
1 41 . 8 1 1 B 14 14 GLU H H 57 8.275 7.760 0.515 1
1 42 . 8 1 1 B 14 14 GLU CA C 57 56.973 57.781 -0.808 1
1 43 . 8 1 1 B 14 14 GLU CB C 57 29.882 30.220 -0.338 1
1 44 . 8 1 1 B 14 14 GLU N N 57 118.808 116.882 1.926 1
1 45 . 8 1 1 B 15 15 LEU H H 58 8.025 8.395 -0.370 1
1 46 . 8 1 1 B 15 15 LEU CA C 58 55.578 57.778 -2.200 1
1 47 . 8 1 1 B 15 15 LEU CB C 58 41.884 41.318 0.566 1
1 48 . 8 1 1 B 15 15 LEU N N 58 122.227 120.367 1.860 1
1 49 . 8 1 1 B 16 16 VAL H H 59 7.949 7.855 0.094 1
1 50 . 8 1 1 B 16 16 VAL CA C 59 63.178 65.548 -2.370 1
1 51 . 8 1 1 B 16 16 VAL CB C 59 32.422 31.409 1.013 1
1 52 . 8 1 1 B 16 16 VAL N N 59 120.225 115.379 4.846 1
1 53 . 8 1 1 B 17 17 GLU H H 60 8.259 8.430 -0.171 1
1 54 . 8 1 1 B 17 17 GLU CA C 60 56.876 59.041 -2.165 1
1 55 . 8 1 1 B 17 17 GLU CB C 60 29.896 29.073 0.823 1
1 56 . 8 1 1 B 17 17 GLU N N 60 122.595 120.484 2.111 1
1 57 . 8 1 1 B 18 18 ILE H H 61 8.066 7.750 0.316 1
1 58 . 8 1 1 B 18 18 ILE CA C 61 61.857 64.834 -2.977 1
1 59 . 8 1 1 B 18 18 ILE CB C 61 38.266 37.430 0.836 1
1 60 . 8 1 1 B 18 18 ILE N N 61 122.128 121.582 0.546 1
1 61 . 8 1 1 B 19 19 VAL H H 62 8.111 8.053 0.058 1
1 62 . 8 1 1 B 19 19 VAL CA C 62 63.616 65.367 -1.751 1
1 63 . 8 1 1 B 19 19 VAL CB C 62 32.098 31.414 0.684 1
1 64 . 8 1 1 B 19 19 VAL N N 62 123.554 121.368 2.186 1
1 65 . 8 1 1 B 20 20 LYS H H 63 8.235 8.035 0.200 1
1 66 . 8 1 1 B 20 20 LYS CA C 63 57.431 58.631 -1.200 1
1 67 . 8 1 1 B 20 20 LYS CB C 63 32.617 31.378 1.239 1
1 68 . 8 1 1 B 20 20 LYS N N 63 123.314 120.680 2.634 1
1 69 . 8 1 1 B 21 21 GLU H H 64 8.257 7.740 0.517 1
1 70 . 8 1 1 B 21 21 GLU CA C 64 57.310 59.235 -1.925 1
1 71 . 8 1 1 B 21 21 GLU CB C 64 29.885 29.231 0.654 1
1 72 . 8 1 1 B 21 21 GLU N N 64 120.622 119.890 0.732 1
1 73 . 8 1 1 B 22 22 ARG H H 65 8.179 8.079 0.100 1
1 74 . 8 1 1 B 22 22 ARG CA C 65 56.674 58.410 -1.736 1
1 75 . 8 1 1 B 22 22 ARG CB C 65 30.520 30.262 0.258 1
1 76 . 8 1 1 B 22 22 ARG N N 65 120.784 119.864 0.920 1
1 77 . 8 1 1 B 23 23 LEU H H 66 8.042 7.914 0.128 1
1 78 . 8 1 1 B 23 23 LEU CA C 66 55.297 55.596 -0.299 1
1 79 . 8 1 1 B 23 23 LEU CB C 66 42.087 41.459 0.628 1
1 80 . 8 1 1 B 23 23 LEU N N 66 121.246 117.538 3.708 1
1 81 . 8 1 1 B 24 24 ARG H H 67 8.073 8.970 -0.897 1
1 82 . 8 1 1 B 24 24 ARG CA C 67 56.102 58.830 -2.728 1
1 83 . 8 1 1 B 24 24 ARG CB C 67 30.732 29.919 0.813 1
1 84 . 8 1 1 B 24 24 ARG N N 67 120.656 118.917 1.739 1
1 85 . 8 1 1 B 25 25 ASN H H 68 8.191 8.078 0.113 1
1 86 . 8 1 1 B 25 25 ASN CA C 68 56.384 50.466 5.918 1
1 87 . 8 1 1 B 25 25 ASN CB C 68 41.056 38.891 2.165 1
1 88 . 8 1 1 B 25 25 ASN N N 68 120.784 117.369 3.415 1
1 89 . 8 1 1 B 26 26 PRO CA C 69 62.979 65.694 -2.715 1
1 90 . 8 1 1 B 26 26 PRO CB C 69 32.101 31.659 0.442 1
1 91 . 8 1 1 B 27 27 LYS H H 70 8.322 7.955 0.367 1
1 92 . 8 1 1 B 27 27 LYS CA C 70 53.847 56.656 -2.809 1
1 93 . 8 1 1 B 27 27 LYS CB C 70 32.330 30.756 1.574 1
1 94 . 8 1 1 B 27 27 LYS N N 70 122.519 115.646 6.873 1
1 95 . 8 1 1 B 28 28 PRO CA C 71 62.803 62.410 0.393 1
1 96 . 8 1 1 B 28 28 PRO CB C 71 32.090 32.778 -0.688 1
1 97 . 8 1 1 B 29 29 VAL H H 72 8.250 8.459 -0.209 1
1 98 . 8 1 1 B 29 29 VAL CA C 72 62.281 60.634 1.647 1
1 99 . 8 1 1 B 29 29 VAL CB C 72 32.706 35.322 -2.616 1
1 100 . 8 1 1 B 29 29 VAL N N 72 120.957 120.697 0.260 1
1 101 . 8 1 1 B 30 30 ARG H H 73 8.386 8.839 -0.453 1
1 102 . 8 1 1 B 30 30 ARG CA C 73 55.613 56.042 -0.429 1
1 103 . 8 1 1 B 30 30 ARG CB C 73 30.903 30.680 0.223 1
1 104 . 8 1 1 B 30 30 ARG N N 73 125.259 128.669 -3.410 1
1 105 . 8 1 1 B 31 31 VAL H H 74 8.338 8.859 -0.521 1
1 106 . 8 1 1 B 31 31 VAL CA C 74 62.185 59.080 3.105 1
1 107 . 8 1 1 B 31 31 VAL CB C 74 32.821 36.465 -3.644 1
1 108 . 8 1 1 B 31 31 VAL N N 74 122.368 119.268 3.100 1
1 109 . 8 1 1 B 32 32 THR H H 75 8.228 8.329 -0.101 1
1 110 . 8 1 1 B 32 32 THR CA C 75 61.337 59.159 2.178 1
1 111 . 8 1 1 B 32 32 THR CB C 75 69.630 72.006 -2.376 1
1 112 . 8 1 1 B 32 32 THR N N 75 118.303 111.278 7.025 1
1 113 . 8 1 1 B 33 33 LEU H H 76 8.361 8.948 -0.587 1
1 114 . 8 1 1 B 33 33 LEU CA C 76 55.083 57.831 -2.748 1
1 115 . 8 1 1 B 33 33 LEU CB C 76 42.167 41.527 0.640 1
1 116 . 8 1 1 B 33 33 LEU N N 76 124.501 122.590 1.911 1
1 117 . 8 1 1 B 34 34 ASP H H 77 8.252 8.414 -0.162 1
1 118 . 8 1 1 B 34 34 ASP CA C 77 54.463 57.694 -3.231 1
1 119 . 8 1 1 B 34 34 ASP CB C 77 41.065 41.815 -0.750 1
1 120 . 8 1 1 B 34 34 ASP N N 77 120.225 119.900 0.325 1
1 121 . 8 1 1 B 35 35 GLU H H 78 8.180 7.888 0.292 1
1 122 . 8 1 1 B 35 35 GLU CA C 78 56.262 57.071 -0.809 1
1 123 . 8 1 1 B 35 35 GLU CB C 78 30.411 29.828 0.583 1
1 124 . 8 1 1 B 35 35 GLU N N 78 120.656 115.891 4.765 1
1 5 . 9 1 1 B 5 5 GLN H H 48 8.508 8.205 0.303 1
1 6 . 9 1 1 B 5 5 GLN CA C 48 55.746 56.793 -1.047 1
1 7 . 9 1 1 B 5 5 GLN CB C 48 29.540 30.213 -0.673 1
1 8 . 9 1 1 B 5 5 GLN N N 48 121.949 117.131 4.818 1
1 9 . 9 1 1 B 6 6 THR H H 49 8.245 7.570 0.675 1
1 10 . 9 1 1 B 6 6 THR CA C 49 61.784 60.002 1.782 1
1 11 . 9 1 1 B 6 6 THR CB C 49 69.534 70.330 -0.796 1
1 12 . 9 1 1 B 6 6 THR N N 49 116.347 110.886 5.461 1
1 13 . 9 1 1 B 7 7 LEU H H 50 8.322 8.567 -0.245 1
1 14 . 9 1 1 B 7 7 LEU CA C 50 54.935 58.254 -3.319 1
1 15 . 9 1 1 B 7 7 LEU CB C 50 42.296 41.527 0.769 1
1 16 . 9 1 1 B 7 7 LEU N N 50 124.968 125.305 -0.337 1
1 17 . 9 1 1 B 8 8 LEU H H 51 8.306 7.563 0.743 1
1 18 . 9 1 1 B 8 8 LEU CA C 51 54.908 54.036 0.872 1
1 19 . 9 1 1 B 8 8 LEU CB C 51 42.296 43.397 -1.101 1
1 20 . 9 1 1 B 8 8 LEU N N 51 123.239 117.055 6.184 1
1 21 . 9 1 1 B 9 9 SER H H 52 8.375 9.456 -1.081 1
1 22 . 9 1 1 B 9 9 SER CA C 52 57.866 57.241 0.625 1
1 23 . 9 1 1 B 9 9 SER CB C 52 63.889 66.742 -2.853 1
1 24 . 9 1 1 B 9 9 SER N N 52 116.347 115.521 0.826 1
1 25 . 9 1 1 B 10 10 ASP H H 53 8.434 8.749 -0.315 1
1 26 . 9 1 1 B 10 10 ASP CA C 53 54.825 57.570 -2.745 1
1 27 . 9 1 1 B 10 10 ASP CB C 53 40.825 40.702 0.123 1
1 28 . 9 1 1 B 10 10 ASP N N 53 122.469 123.249 -0.780 1
1 29 . 9 1 1 B 11 11 GLU H H 54 8.384 8.456 -0.072 1
1 30 . 9 1 1 B 11 11 GLU CA C 54 57.149 58.864 -1.715 1
1 31 . 9 1 1 B 11 11 GLU CB C 54 30.127 28.552 1.575 1
1 32 . 9 1 1 B 11 11 GLU N N 54 120.496 117.157 3.339 1
1 33 . 9 1 1 B 12 12 ASP H H 55 8.222 7.990 0.232 1
1 34 . 9 1 1 B 12 12 ASP CA C 55 54.679 57.208 -2.529 1
1 35 . 9 1 1 B 12 12 ASP CB C 55 41.028 40.915 0.113 1
1 36 . 9 1 1 B 12 12 ASP N N 55 121.015 120.339 0.676 1
1 37 . 9 1 1 B 13 13 ALA H H 56 8.137 8.091 0.046 1
1 38 . 9 1 1 B 13 13 ALA CA C 56 53.158 54.481 -1.323 1
1 39 . 9 1 1 B 13 13 ALA CB C 56 19.134 18.299 0.835 1
1 40 . 9 1 1 B 13 13 ALA N N 56 124.104 122.482 1.622 1
1 41 . 9 1 1 B 14 14 GLU H H 57 8.275 7.569 0.706 1
1 42 . 9 1 1 B 14 14 GLU CA C 57 56.973 58.651 -1.678 1
1 43 . 9 1 1 B 14 14 GLU CB C 57 29.882 29.668 0.214 1
1 44 . 9 1 1 B 14 14 GLU N N 57 118.808 118.491 0.317 1
1 45 . 9 1 1 B 15 15 LEU H H 58 8.025 8.171 -0.146 1
1 46 . 9 1 1 B 15 15 LEU CA C 58 55.578 57.608 -2.030 1
1 47 . 9 1 1 B 15 15 LEU CB C 58 41.884 41.471 0.413 1
1 48 . 9 1 1 B 15 15 LEU N N 58 122.227 119.942 2.285 1
1 49 . 9 1 1 B 16 16 VAL H H 59 7.949 7.645 0.304 1
1 50 . 9 1 1 B 16 16 VAL CA C 59 63.178 65.400 -2.222 1
1 51 . 9 1 1 B 16 16 VAL CB C 59 32.422 31.437 0.985 1
1 52 . 9 1 1 B 16 16 VAL N N 59 120.225 116.326 3.899 1
1 53 . 9 1 1 B 17 17 GLU H H 60 8.259 8.579 -0.320 1
1 54 . 9 1 1 B 17 17 GLU CA C 60 56.876 58.774 -1.898 1
1 55 . 9 1 1 B 17 17 GLU CB C 60 29.896 28.571 1.325 1
1 56 . 9 1 1 B 17 17 GLU N N 60 122.595 120.354 2.241 1
1 57 . 9 1 1 B 18 18 ILE H H 61 8.066 7.884 0.182 1
1 58 . 9 1 1 B 18 18 ILE CA C 61 61.857 64.603 -2.746 1
1 59 . 9 1 1 B 18 18 ILE CB C 61 38.266 38.078 0.188 1
1 60 . 9 1 1 B 18 18 ILE N N 61 122.128 121.481 0.647 1
1 61 . 9 1 1 B 19 19 VAL H H 62 8.111 8.129 -0.018 1
1 62 . 9 1 1 B 19 19 VAL CA C 62 63.616 65.410 -1.794 1
1 63 . 9 1 1 B 19 19 VAL CB C 62 32.098 31.380 0.718 1
1 64 . 9 1 1 B 19 19 VAL N N 62 123.554 120.873 2.681 1
1 65 . 9 1 1 B 20 20 LYS H H 63 8.235 8.174 0.061 1
1 66 . 9 1 1 B 20 20 LYS CA C 63 57.431 58.738 -1.307 1
1 67 . 9 1 1 B 20 20 LYS CB C 63 32.617 31.811 0.806 1
1 68 . 9 1 1 B 20 20 LYS N N 63 123.314 120.477 2.837 1
1 69 . 9 1 1 B 21 21 GLU H H 64 8.257 8.108 0.149 1
1 70 . 9 1 1 B 21 21 GLU CA C 64 57.310 59.275 -1.965 1
1 71 . 9 1 1 B 21 21 GLU CB C 64 29.885 29.123 0.762 1
1 72 . 9 1 1 B 21 21 GLU N N 64 120.622 119.948 0.674 1
1 73 . 9 1 1 B 22 22 ARG H H 65 8.179 7.758 0.421 1
1 74 . 9 1 1 B 22 22 ARG CA C 65 56.674 58.280 -1.606 1
1 75 . 9 1 1 B 22 22 ARG CB C 65 30.520 30.295 0.225 1
1 76 . 9 1 1 B 22 22 ARG N N 65 120.784 119.644 1.140 1
1 77 . 9 1 1 B 23 23 LEU H H 66 8.042 8.183 -0.141 1
1 78 . 9 1 1 B 23 23 LEU CA C 66 55.297 56.850 -1.553 1
1 79 . 9 1 1 B 23 23 LEU CB C 66 42.087 41.351 0.736 1
1 80 . 9 1 1 B 23 23 LEU N N 66 121.246 117.875 3.371 1
1 81 . 9 1 1 B 24 24 ARG H H 67 8.073 8.376 -0.303 1
1 82 . 9 1 1 B 24 24 ARG CA C 67 56.102 58.395 -2.293 1
1 83 . 9 1 1 B 24 24 ARG CB C 67 30.732 30.078 0.654 1
1 84 . 9 1 1 B 24 24 ARG N N 67 120.656 117.968 2.688 1
1 85 . 9 1 1 B 25 25 ASN H H 68 8.191 8.049 0.142 1
1 86 . 9 1 1 B 25 25 ASN CA C 68 56.384 50.417 5.967 1
1 87 . 9 1 1 B 25 25 ASN CB C 68 41.056 38.975 2.081 1
1 88 . 9 1 1 B 25 25 ASN N N 68 120.784 117.647 3.137 1
1 89 . 9 1 1 B 26 26 PRO CA C 69 62.979 65.541 -2.562 1
1 90 . 9 1 1 B 26 26 PRO CB C 69 32.101 31.752 0.349 1
1 91 . 9 1 1 B 27 27 LYS H H 70 8.322 7.957 0.365 1
1 92 . 9 1 1 B 27 27 LYS CA C 70 53.847 56.508 -2.661 1
1 93 . 9 1 1 B 27 27 LYS CB C 70 32.330 31.008 1.322 1
1 94 . 9 1 1 B 27 27 LYS N N 70 122.519 115.305 7.214 1
1 95 . 9 1 1 B 28 28 PRO CA C 71 62.803 62.412 0.391 1
1 96 . 9 1 1 B 28 28 PRO CB C 71 32.090 32.497 -0.407 1
1 97 . 9 1 1 B 29 29 VAL H H 72 8.250 8.472 -0.222 1
1 98 . 9 1 1 B 29 29 VAL CA C 72 62.281 60.718 1.563 1
1 99 . 9 1 1 B 29 29 VAL CB C 72 32.706 34.213 -1.507 1
1 100 . 9 1 1 B 29 29 VAL N N 72 120.957 122.201 -1.244 1
1 101 . 9 1 1 B 30 30 ARG H H 73 8.386 8.640 -0.254 1
1 102 . 9 1 1 B 30 30 ARG CA C 73 55.613 56.301 -0.688 1
1 103 . 9 1 1 B 30 30 ARG CB C 73 30.903 30.743 0.160 1
1 104 . 9 1 1 B 30 30 ARG N N 73 125.259 127.603 -2.344 1
1 105 . 9 1 1 B 31 31 VAL H H 74 8.338 8.798 -0.460 1
1 106 . 9 1 1 B 31 31 VAL CA C 74 62.185 59.092 3.093 1
1 107 . 9 1 1 B 31 31 VAL CB C 74 32.821 36.419 -3.598 1
1 108 . 9 1 1 B 31 31 VAL N N 74 122.368 118.065 4.303 1
1 109 . 9 1 1 B 32 32 THR H H 75 8.228 8.364 -0.136 1
1 110 . 9 1 1 B 32 32 THR CA C 75 61.337 59.172 2.165 1
1 111 . 9 1 1 B 32 32 THR CB C 75 69.630 72.007 -2.377 1
1 112 . 9 1 1 B 32 32 THR N N 75 118.303 110.871 7.432 1
1 113 . 9 1 1 B 33 33 LEU H H 76 8.361 8.977 -0.616 1
1 114 . 9 1 1 B 33 33 LEU CA C 76 55.083 57.738 -2.655 1
1 115 . 9 1 1 B 33 33 LEU CB C 76 42.167 41.349 0.818 1
1 116 . 9 1 1 B 33 33 LEU N N 76 124.501 122.592 1.909 1
1 117 . 9 1 1 B 34 34 ASP H H 77 8.252 8.421 -0.169 1
1 118 . 9 1 1 B 34 34 ASP CA C 77 54.463 57.988 -3.525 1
1 119 . 9 1 1 B 34 34 ASP CB C 77 41.065 41.967 -0.902 1
1 120 . 9 1 1 B 34 34 ASP N N 77 120.225 119.982 0.243 1
1 121 . 9 1 1 B 35 35 GLU H H 78 8.180 7.960 0.220 1
1 122 . 9 1 1 B 35 35 GLU CA C 78 56.262 57.669 -1.407 1
1 123 . 9 1 1 B 35 35 GLU CB C 78 30.411 29.602 0.809 1
1 124 . 9 1 1 B 35 35 GLU N N 78 120.656 116.219 4.437 1
1 5 . 10 1 1 B 5 5 GLN H H 48 8.508 8.827 -0.319 1
1 6 . 10 1 1 B 5 5 GLN CA C 48 55.746 57.209 -1.463 1
1 7 . 10 1 1 B 5 5 GLN CB C 48 29.540 28.816 0.724 1
1 8 . 10 1 1 B 5 5 GLN N N 48 121.949 121.039 0.910 1
1 9 . 10 1 1 B 6 6 THR H H 49 8.245 7.503 0.742 1
1 10 . 10 1 1 B 6 6 THR CA C 49 61.784 59.797 1.987 1
1 11 . 10 1 1 B 6 6 THR CB C 49 69.534 71.291 -1.757 1
1 12 . 10 1 1 B 6 6 THR N N 49 116.347 113.783 2.564 1
1 13 . 10 1 1 B 7 7 LEU H H 50 8.322 8.508 -0.186 1
1 14 . 10 1 1 B 7 7 LEU CA C 50 54.935 54.703 0.232 1
1 15 . 10 1 1 B 7 7 LEU CB C 50 42.296 41.629 0.667 1
1 16 . 10 1 1 B 7 7 LEU N N 50 124.968 123.762 1.206 1
1 17 . 10 1 1 B 8 8 LEU H H 51 8.306 6.969 1.337 1
1 18 . 10 1 1 B 8 8 LEU CA C 51 54.908 53.660 1.248 1
1 19 . 10 1 1 B 8 8 LEU CB C 51 42.296 43.268 -0.972 1
1 20 . 10 1 1 B 8 8 LEU N N 51 123.239 118.338 4.901 1
1 21 . 10 1 1 B 9 9 SER H H 52 8.375 9.365 -0.990 1
1 22 . 10 1 1 B 9 9 SER CA C 52 57.866 55.967 1.899 1
1 23 . 10 1 1 B 9 9 SER CB C 52 63.889 65.443 -1.554 1
1 24 . 10 1 1 B 9 9 SER N N 52 116.347 116.271 0.076 1
1 25 . 10 1 1 B 10 10 ASP H H 53 8.434 8.747 -0.313 1
1 26 . 10 1 1 B 10 10 ASP CA C 53 54.825 57.181 -2.356 1
1 27 . 10 1 1 B 10 10 ASP CB C 53 40.825 40.767 0.058 1
1 28 . 10 1 1 B 10 10 ASP N N 53 122.469 124.794 -2.325 1
1 29 . 10 1 1 B 11 11 GLU H H 54 8.384 8.442 -0.058 1
1 30 . 10 1 1 B 11 11 GLU CA C 54 57.149 59.134 -1.985 1
1 31 . 10 1 1 B 11 11 GLU CB C 54 30.127 28.864 1.263 1
1 32 . 10 1 1 B 11 11 GLU N N 54 120.496 117.178 3.318 1
1 33 . 10 1 1 B 12 12 ASP H H 55 8.222 7.972 0.250 1
1 34 . 10 1 1 B 12 12 ASP CA C 55 54.679 55.891 -1.212 1
1 35 . 10 1 1 B 12 12 ASP CB C 55 41.028 40.730 0.298 1
1 36 . 10 1 1 B 12 12 ASP N N 55 121.015 120.270 0.745 1
1 37 . 10 1 1 B 13 13 ALA H H 56 8.137 7.950 0.187 1
1 38 . 10 1 1 B 13 13 ALA CA C 56 53.158 54.492 -1.334 1
1 39 . 10 1 1 B 13 13 ALA CB C 56 19.134 18.133 1.001 1
1 40 . 10 1 1 B 13 13 ALA N N 56 124.104 121.789 2.315 1
1 41 . 10 1 1 B 14 14 GLU H H 57 8.275 7.686 0.589 1
1 42 . 10 1 1 B 14 14 GLU CA C 57 56.973 58.421 -1.448 1
1 43 . 10 1 1 B 14 14 GLU CB C 57 29.882 29.785 0.097 1
1 44 . 10 1 1 B 14 14 GLU N N 57 118.808 117.936 0.872 1
1 45 . 10 1 1 B 15 15 LEU H H 58 8.025 7.963 0.062 1
1 46 . 10 1 1 B 15 15 LEU CA C 58 55.578 58.167 -2.589 1
1 47 . 10 1 1 B 15 15 LEU CB C 58 41.884 41.816 0.068 1
1 48 . 10 1 1 B 15 15 LEU N N 58 122.227 120.308 1.919 1
1 49 . 10 1 1 B 16 16 VAL H H 59 7.949 7.830 0.119 1
1 50 . 10 1 1 B 16 16 VAL CA C 59 63.178 65.551 -2.373 1
1 51 . 10 1 1 B 16 16 VAL CB C 59 32.422 31.281 1.141 1
1 52 . 10 1 1 B 16 16 VAL N N 59 120.225 114.487 5.738 1
1 53 . 10 1 1 B 17 17 GLU H H 60 8.259 7.936 0.323 1
1 54 . 10 1 1 B 17 17 GLU CA C 60 56.876 59.081 -2.205 1
1 55 . 10 1 1 B 17 17 GLU CB C 60 29.896 29.275 0.621 1
1 56 . 10 1 1 B 17 17 GLU N N 60 122.595 120.594 2.001 1
1 57 . 10 1 1 B 18 18 ILE H H 61 8.066 7.859 0.207 1
1 58 . 10 1 1 B 18 18 ILE CA C 61 61.857 64.997 -3.140 1
1 59 . 10 1 1 B 18 18 ILE CB C 61 38.266 37.332 0.934 1
1 60 . 10 1 1 B 18 18 ILE N N 61 122.128 121.394 0.734 1
1 61 . 10 1 1 B 19 19 VAL H H 62 8.111 8.035 0.076 1
1 62 . 10 1 1 B 19 19 VAL CA C 62 63.616 65.437 -1.821 1
1 63 . 10 1 1 B 19 19 VAL CB C 62 32.098 31.425 0.673 1
1 64 . 10 1 1 B 19 19 VAL N N 62 123.554 121.379 2.175 1
1 65 . 10 1 1 B 20 20 LYS H H 63 8.235 7.740 0.495 1
1 66 . 10 1 1 B 20 20 LYS CA C 63 57.431 58.740 -1.309 1
1 67 . 10 1 1 B 20 20 LYS CB C 63 32.617 31.558 1.059 1
1 68 . 10 1 1 B 20 20 LYS N N 63 123.314 120.694 2.620 1
1 69 . 10 1 1 B 21 21 GLU H H 64 8.257 8.463 -0.206 1
1 70 . 10 1 1 B 21 21 GLU CA C 64 57.310 59.106 -1.796 1
1 71 . 10 1 1 B 21 21 GLU CB C 64 29.885 29.013 0.872 1
1 72 . 10 1 1 B 21 21 GLU N N 64 120.622 120.530 0.092 1
1 73 . 10 1 1 B 22 22 ARG H H 65 8.179 7.536 0.643 1
1 74 . 10 1 1 B 22 22 ARG CA C 65 56.674 58.612 -1.938 1
1 75 . 10 1 1 B 22 22 ARG CB C 65 30.520 30.268 0.252 1
1 76 . 10 1 1 B 22 22 ARG N N 65 120.784 119.045 1.739 1
1 77 . 10 1 1 B 23 23 LEU H H 66 8.042 8.251 -0.209 1
1 78 . 10 1 1 B 23 23 LEU CA C 66 55.297 56.965 -1.668 1
1 79 . 10 1 1 B 23 23 LEU CB C 66 42.087 41.606 0.481 1
1 80 . 10 1 1 B 23 23 LEU N N 66 121.246 121.958 -0.712 1
1 81 . 10 1 1 B 24 24 ARG H H 67 8.073 8.623 -0.550 1
1 82 . 10 1 1 B 24 24 ARG CA C 67 56.102 57.913 -1.811 1
1 83 . 10 1 1 B 24 24 ARG CB C 67 30.732 29.677 1.055 1
1 84 . 10 1 1 B 24 24 ARG N N 67 120.656 116.534 4.122 1
1 85 . 10 1 1 B 25 25 ASN H H 68 8.191 7.696 0.495 1
1 86 . 10 1 1 B 25 25 ASN CA C 68 56.384 51.135 5.249 1
1 87 . 10 1 1 B 25 25 ASN CB C 68 41.056 38.692 2.364 1
1 88 . 10 1 1 B 25 25 ASN N N 68 120.784 117.672 3.112 1
1 89 . 10 1 1 B 26 26 PRO CA C 69 62.979 65.496 -2.517 1
1 90 . 10 1 1 B 26 26 PRO CB C 69 32.101 31.791 0.310 1
1 91 . 10 1 1 B 27 27 LYS H H 70 8.322 7.953 0.369 1
1 92 . 10 1 1 B 27 27 LYS CA C 70 53.847 56.555 -2.708 1
1 93 . 10 1 1 B 27 27 LYS CB C 70 32.330 30.908 1.422 1
1 94 . 10 1 1 B 27 27 LYS N N 70 122.519 115.639 6.880 1
1 95 . 10 1 1 B 28 28 PRO CA C 71 62.803 62.287 0.516 1
1 96 . 10 1 1 B 28 28 PRO CB C 71 32.090 32.676 -0.586 1
1 97 . 10 1 1 B 29 29 VAL H H 72 8.250 8.521 -0.271 1
1 98 . 10 1 1 B 29 29 VAL CA C 72 62.281 60.876 1.405 1
1 99 . 10 1 1 B 29 29 VAL CB C 72 32.706 33.591 -0.885 1
1 100 . 10 1 1 B 29 29 VAL N N 72 120.957 123.230 -2.273 1
1 101 . 10 1 1 B 30 30 ARG H H 73 8.386 8.616 -0.230 1
1 102 . 10 1 1 B 30 30 ARG CA C 73 55.613 56.353 -0.740 1
1 103 . 10 1 1 B 30 30 ARG CB C 73 30.903 30.715 0.188 1
1 104 . 10 1 1 B 30 30 ARG N N 73 125.259 127.704 -2.445 1
1 105 . 10 1 1 B 31 31 VAL H H 74 8.338 8.812 -0.474 1
1 106 . 10 1 1 B 31 31 VAL CA C 74 62.185 59.129 3.056 1
1 107 . 10 1 1 B 31 31 VAL CB C 74 32.821 36.314 -3.493 1
1 108 . 10 1 1 B 31 31 VAL N N 74 122.368 118.080 4.288 1
1 109 . 10 1 1 B 32 32 THR H H 75 8.228 8.357 -0.129 1
1 110 . 10 1 1 B 32 32 THR CA C 75 61.337 59.175 2.162 1
1 111 . 10 1 1 B 32 32 THR CB C 75 69.630 71.883 -2.253 1
1 112 . 10 1 1 B 32 32 THR N N 75 118.303 111.262 7.041 1
1 113 . 10 1 1 B 33 33 LEU H H 76 8.361 8.952 -0.591 1
1 114 . 10 1 1 B 33 33 LEU CA C 76 55.083 57.761 -2.678 1
1 115 . 10 1 1 B 33 33 LEU CB C 76 42.167 41.519 0.648 1
1 116 . 10 1 1 B 33 33 LEU N N 76 124.501 122.645 1.856 1
1 117 . 10 1 1 B 34 34 ASP H H 77 8.252 8.359 -0.107 1
1 118 . 10 1 1 B 34 34 ASP CA C 77 54.463 57.503 -3.040 1
1 119 . 10 1 1 B 34 34 ASP CB C 77 41.065 41.363 -0.298 1
1 120 . 10 1 1 B 34 34 ASP N N 77 120.225 119.892 0.333 1
1 121 . 10 1 1 B 35 35 GLU H H 78 8.180 8.149 0.031 1
1 122 . 10 1 1 B 35 35 GLU CA C 78 56.262 57.307 -1.045 1
1 123 . 10 1 1 B 35 35 GLU CB C 78 30.411 29.791 0.620 1
1 124 . 10 1 1 B 35 35 GLU N N 78 120.656 115.723 4.933 1
1 5 . 11 1 1 B 5 5 GLN H H 48 8.508 7.751 0.757 1
1 6 . 11 1 1 B 5 5 GLN CA C 48 55.746 55.896 -0.150 1
1 7 . 11 1 1 B 5 5 GLN CB C 48 29.540 29.349 0.191 1
1 8 . 11 1 1 B 5 5 GLN N N 48 121.949 119.148 2.801 1
1 9 . 11 1 1 B 6 6 THR H H 49 8.245 8.721 -0.476 1
1 10 . 11 1 1 B 6 6 THR CA C 49 61.784 60.859 0.925 1
1 11 . 11 1 1 B 6 6 THR CB C 49 69.534 71.343 -1.809 1
1 12 . 11 1 1 B 6 6 THR N N 49 116.347 116.893 -0.546 1
1 13 . 11 1 1 B 7 7 LEU H H 50 8.322 8.582 -0.260 1
1 14 . 11 1 1 B 7 7 LEU CA C 50 54.935 54.543 0.392 1
1 15 . 11 1 1 B 7 7 LEU CB C 50 42.296 41.918 0.378 1
1 16 . 11 1 1 B 7 7 LEU N N 50 124.968 119.836 5.132 1
1 17 . 11 1 1 B 8 8 LEU H H 51 8.306 7.692 0.614 1
1 18 . 11 1 1 B 8 8 LEU CA C 51 54.908 53.231 1.677 1
1 19 . 11 1 1 B 8 8 LEU CB C 51 42.296 45.905 -3.609 1
1 20 . 11 1 1 B 8 8 LEU N N 51 123.239 117.070 6.169 1
1 21 . 11 1 1 B 9 9 SER H H 52 8.375 9.210 -0.835 1
1 22 . 11 1 1 B 9 9 SER CA C 52 57.866 56.030 1.836 1
1 23 . 11 1 1 B 9 9 SER CB C 52 63.889 65.492 -1.603 1
1 24 . 11 1 1 B 9 9 SER N N 52 116.347 114.940 1.407 1
1 25 . 11 1 1 B 10 10 ASP H H 53 8.434 8.893 -0.459 1
1 26 . 11 1 1 B 10 10 ASP CA C 53 54.825 57.422 -2.597 1
1 27 . 11 1 1 B 10 10 ASP CB C 53 40.825 40.298 0.527 1
1 28 . 11 1 1 B 10 10 ASP N N 53 122.469 123.883 -1.414 1
1 29 . 11 1 1 B 11 11 GLU H H 54 8.384 8.527 -0.143 1
1 30 . 11 1 1 B 11 11 GLU CA C 54 57.149 59.417 -2.268 1
1 31 . 11 1 1 B 11 11 GLU CB C 54 30.127 29.176 0.951 1
1 32 . 11 1 1 B 11 11 GLU N N 54 120.496 118.042 2.454 1
1 33 . 11 1 1 B 12 12 ASP H H 55 8.222 7.883 0.339 1
1 34 . 11 1 1 B 12 12 ASP CA C 55 54.679 57.245 -2.566 1
1 35 . 11 1 1 B 12 12 ASP CB C 55 41.028 40.293 0.735 1
1 36 . 11 1 1 B 12 12 ASP N N 55 121.015 120.514 0.501 1
1 37 . 11 1 1 B 13 13 ALA H H 56 8.137 7.568 0.569 1
1 38 . 11 1 1 B 13 13 ALA CA C 56 53.158 54.824 -1.666 1
1 39 . 11 1 1 B 13 13 ALA CB C 56 19.134 18.175 0.959 1
1 40 . 11 1 1 B 13 13 ALA N N 56 124.104 122.695 1.409 1
1 41 . 11 1 1 B 14 14 GLU H H 57 8.275 7.847 0.428 1
1 42 . 11 1 1 B 14 14 GLU CA C 57 56.973 59.054 -2.081 1
1 43 . 11 1 1 B 14 14 GLU CB C 57 29.882 29.464 0.418 1
1 44 . 11 1 1 B 14 14 GLU N N 57 118.808 118.750 0.058 1
1 45 . 11 1 1 B 15 15 LEU H H 58 8.025 8.239 -0.214 1
1 46 . 11 1 1 B 15 15 LEU CA C 58 55.578 57.965 -2.387 1
1 47 . 11 1 1 B 15 15 LEU CB C 58 41.884 41.769 0.115 1
1 48 . 11 1 1 B 15 15 LEU N N 58 122.227 120.207 2.020 1
1 49 . 11 1 1 B 16 16 VAL H H 59 7.949 7.798 0.151 1
1 50 . 11 1 1 B 16 16 VAL CA C 59 63.178 65.564 -2.386 1
1 51 . 11 1 1 B 16 16 VAL CB C 59 32.422 31.420 1.002 1
1 52 . 11 1 1 B 16 16 VAL N N 59 120.225 114.632 5.593 1
1 53 . 11 1 1 B 17 17 GLU H H 60 8.259 7.863 0.396 1
1 54 . 11 1 1 B 17 17 GLU CA C 60 56.876 59.044 -2.168 1
1 55 . 11 1 1 B 17 17 GLU CB C 60 29.896 29.295 0.601 1
1 56 . 11 1 1 B 17 17 GLU N N 60 122.595 120.569 2.026 1
1 57 . 11 1 1 B 18 18 ILE H H 61 8.066 7.891 0.175 1
1 58 . 11 1 1 B 18 18 ILE CA C 61 61.857 65.102 -3.245 1
1 59 . 11 1 1 B 18 18 ILE CB C 61 38.266 37.660 0.606 1
1 60 . 11 1 1 B 18 18 ILE N N 61 122.128 121.414 0.714 1
1 61 . 11 1 1 B 19 19 VAL H H 62 8.111 8.030 0.081 1
1 62 . 11 1 1 B 19 19 VAL CA C 62 63.616 65.375 -1.759 1
1 63 . 11 1 1 B 19 19 VAL CB C 62 32.098 31.450 0.648 1
1 64 . 11 1 1 B 19 19 VAL N N 62 123.554 121.420 2.134 1
1 65 . 11 1 1 B 20 20 LYS H H 63 8.235 8.072 0.163 1
1 66 . 11 1 1 B 20 20 LYS CA C 63 57.431 58.859 -1.428 1
1 67 . 11 1 1 B 20 20 LYS CB C 63 32.617 31.875 0.742 1
1 68 . 11 1 1 B 20 20 LYS N N 63 123.314 120.384 2.930 1
1 69 . 11 1 1 B 21 21 GLU H H 64 8.257 7.982 0.275 1
1 70 . 11 1 1 B 21 21 GLU CA C 64 57.310 59.178 -1.868 1
1 71 . 11 1 1 B 21 21 GLU CB C 64 29.885 29.279 0.606 1
1 72 . 11 1 1 B 21 21 GLU N N 64 120.622 119.675 0.947 1
1 73 . 11 1 1 B 22 22 ARG H H 65 8.179 8.062 0.117 1
1 74 . 11 1 1 B 22 22 ARG CA C 65 56.674 58.366 -1.692 1
1 75 . 11 1 1 B 22 22 ARG CB C 65 30.520 30.300 0.220 1
1 76 . 11 1 1 B 22 22 ARG N N 65 120.784 119.343 1.441 1
1 77 . 11 1 1 B 23 23 LEU H H 66 8.042 8.111 -0.069 1
1 78 . 11 1 1 B 23 23 LEU CA C 66 55.297 57.334 -2.037 1
1 79 . 11 1 1 B 23 23 LEU CB C 66 42.087 41.127 0.960 1
1 80 . 11 1 1 B 23 23 LEU N N 66 121.246 122.077 -0.831 1
1 81 . 11 1 1 B 24 24 ARG H H 67 8.073 8.370 -0.297 1
1 82 . 11 1 1 B 24 24 ARG CA C 67 56.102 57.863 -1.761 1
1 83 . 11 1 1 B 24 24 ARG CB C 67 30.732 29.657 1.075 1
1 84 . 11 1 1 B 24 24 ARG N N 67 120.656 116.405 4.251 1
1 85 . 11 1 1 B 25 25 ASN H H 68 8.191 7.886 0.305 1
1 86 . 11 1 1 B 25 25 ASN CA C 68 56.384 50.484 5.900 1
1 87 . 11 1 1 B 25 25 ASN CB C 68 41.056 39.158 1.898 1
1 88 . 11 1 1 B 25 25 ASN N N 68 120.784 118.036 2.748 1
1 89 . 11 1 1 B 26 26 PRO CA C 69 62.979 65.384 -2.405 1
1 90 . 11 1 1 B 26 26 PRO CB C 69 32.101 31.868 0.233 1
1 91 . 11 1 1 B 27 27 LYS H H 70 8.322 7.962 0.360 1
1 92 . 11 1 1 B 27 27 LYS CA C 70 53.847 56.531 -2.684 1
1 93 . 11 1 1 B 27 27 LYS CB C 70 32.330 31.090 1.240 1
1 94 . 11 1 1 B 27 27 LYS N N 70 122.519 115.799 6.720 1
1 95 . 11 1 1 B 28 28 PRO CA C 71 62.803 62.234 0.569 1
1 96 . 11 1 1 B 28 28 PRO CB C 71 32.090 32.514 -0.424 1
1 97 . 11 1 1 B 29 29 VAL H H 72 8.250 8.650 -0.400 1
1 98 . 11 1 1 B 29 29 VAL CA C 72 62.281 61.247 1.034 1
1 99 . 11 1 1 B 29 29 VAL CB C 72 32.706 33.027 -0.321 1
1 100 . 11 1 1 B 29 29 VAL N N 72 120.957 123.777 -2.820 1
1 101 . 11 1 1 B 30 30 ARG H H 73 8.386 8.754 -0.368 1
1 102 . 11 1 1 B 30 30 ARG CA C 73 55.613 55.789 -0.176 1
1 103 . 11 1 1 B 30 30 ARG CB C 73 30.903 30.717 0.186 1
1 104 . 11 1 1 B 30 30 ARG N N 73 125.259 128.526 -3.267 1
1 105 . 11 1 1 B 31 31 VAL H H 74 8.338 8.903 -0.565 1
1 106 . 11 1 1 B 31 31 VAL CA C 74 62.185 59.356 2.829 1
1 107 . 11 1 1 B 31 31 VAL CB C 74 32.821 36.093 -3.272 1
1 108 . 11 1 1 B 31 31 VAL N N 74 122.368 120.005 2.363 1
1 109 . 11 1 1 B 32 32 THR H H 75 8.228 8.346 -0.118 1
1 110 . 11 1 1 B 32 32 THR CA C 75 61.337 59.207 2.130 1
1 111 . 11 1 1 B 32 32 THR CB C 75 69.630 72.047 -2.417 1
1 112 . 11 1 1 B 32 32 THR N N 75 118.303 111.147 7.156 1
1 113 . 11 1 1 B 33 33 LEU H H 76 8.361 8.971 -0.610 1
1 114 . 11 1 1 B 33 33 LEU CA C 76 55.083 57.703 -2.620 1
1 115 . 11 1 1 B 33 33 LEU CB C 76 42.167 41.398 0.769 1
1 116 . 11 1 1 B 33 33 LEU N N 76 124.501 122.165 2.336 1
1 117 . 11 1 1 B 34 34 ASP H H 77 8.252 8.272 -0.020 1
1 118 . 11 1 1 B 34 34 ASP CA C 77 54.463 57.903 -3.440 1
1 119 . 11 1 1 B 34 34 ASP CB C 77 41.065 41.059 0.006 1
1 120 . 11 1 1 B 34 34 ASP N N 77 120.225 119.878 0.347 1
1 121 . 11 1 1 B 35 35 GLU H H 78 8.180 7.869 0.311 1
1 122 . 11 1 1 B 35 35 GLU CA C 78 56.262 57.699 -1.437 1
1 123 . 11 1 1 B 35 35 GLU CB C 78 30.411 29.526 0.885 1
1 124 . 11 1 1 B 35 35 GLU N N 78 120.656 116.261 4.395 1
1 5 . 12 1 1 B 5 5 GLN H H 48 8.508 7.520 0.988 1
1 6 . 12 1 1 B 5 5 GLN CA C 48 55.746 55.301 0.445 1
1 7 . 12 1 1 B 5 5 GLN CB C 48 29.540 29.626 -0.086 1
1 8 . 12 1 1 B 5 5 GLN N N 48 121.949 118.370 3.579 1
1 9 . 12 1 1 B 6 6 THR H H 49 8.245 8.844 -0.599 1
1 10 . 12 1 1 B 6 6 THR CA C 49 61.784 63.020 -1.236 1
1 11 . 12 1 1 B 6 6 THR CB C 49 69.534 66.602 2.932 1
1 12 . 12 1 1 B 6 6 THR N N 49 116.347 116.661 -0.314 1
1 13 . 12 1 1 B 7 7 LEU H H 50 8.322 7.873 0.449 1
1 14 . 12 1 1 B 7 7 LEU CA C 50 54.935 54.388 0.547 1
1 15 . 12 1 1 B 7 7 LEU CB C 50 42.296 40.746 1.550 1
1 16 . 12 1 1 B 7 7 LEU N N 50 124.968 124.943 0.025 1
1 17 . 12 1 1 B 8 8 LEU H H 51 8.306 8.391 -0.085 1
1 18 . 12 1 1 B 8 8 LEU CA C 51 54.908 52.716 2.192 1
1 19 . 12 1 1 B 8 8 LEU CB C 51 42.296 44.431 -2.135 1
1 20 . 12 1 1 B 8 8 LEU N N 51 123.239 122.736 0.503 1
1 21 . 12 1 1 B 9 9 SER H H 52 8.375 9.195 -0.820 1
1 22 . 12 1 1 B 9 9 SER CA C 52 57.866 56.182 1.684 1
1 23 . 12 1 1 B 9 9 SER CB C 52 63.889 65.374 -1.485 1
1 24 . 12 1 1 B 9 9 SER N N 52 116.347 115.436 0.911 1
1 25 . 12 1 1 B 10 10 ASP H H 53 8.434 8.770 -0.336 1
1 26 . 12 1 1 B 10 10 ASP CA C 53 54.825 57.328 -2.503 1
1 27 . 12 1 1 B 10 10 ASP CB C 53 40.825 40.542 0.283 1
1 28 . 12 1 1 B 10 10 ASP N N 53 122.469 124.638 -2.169 1
1 29 . 12 1 1 B 11 11 GLU H H 54 8.384 8.568 -0.184 1
1 30 . 12 1 1 B 11 11 GLU CA C 54 57.149 59.342 -2.193 1
1 31 . 12 1 1 B 11 11 GLU CB C 54 30.127 29.160 0.967 1
1 32 . 12 1 1 B 11 11 GLU N N 54 120.496 117.224 3.272 1
1 33 . 12 1 1 B 12 12 ASP H H 55 8.222 7.870 0.352 1
1 34 . 12 1 1 B 12 12 ASP CA C 55 54.679 56.585 -1.906 1
1 35 . 12 1 1 B 12 12 ASP CB C 55 41.028 40.591 0.437 1
1 36 . 12 1 1 B 12 12 ASP N N 55 121.015 120.273 0.742 1
1 37 . 12 1 1 B 13 13 ALA H H 56 8.137 7.805 0.332 1
1 38 . 12 1 1 B 13 13 ALA CA C 56 53.158 54.775 -1.617 1
1 39 . 12 1 1 B 13 13 ALA CB C 56 19.134 18.255 0.879 1
1 40 . 12 1 1 B 13 13 ALA N N 56 124.104 122.203 1.901 1
1 41 . 12 1 1 B 14 14 GLU H H 57 8.275 7.383 0.892 1
1 42 . 12 1 1 B 14 14 GLU CA C 57 56.973 58.415 -1.442 1
1 43 . 12 1 1 B 14 14 GLU CB C 57 29.882 29.668 0.214 1
1 44 . 12 1 1 B 14 14 GLU N N 57 118.808 117.930 0.878 1
1 45 . 12 1 1 B 15 15 LEU H H 58 8.025 7.996 0.029 1
1 46 . 12 1 1 B 15 15 LEU CA C 58 55.578 58.118 -2.540 1
1 47 . 12 1 1 B 15 15 LEU CB C 58 41.884 41.575 0.309 1
1 48 . 12 1 1 B 15 15 LEU N N 58 122.227 120.215 2.012 1
1 49 . 12 1 1 B 16 16 VAL H H 59 7.949 7.904 0.045 1
1 50 . 12 1 1 B 16 16 VAL CA C 59 63.178 65.343 -2.165 1
1 51 . 12 1 1 B 16 16 VAL CB C 59 32.422 31.225 1.197 1
1 52 . 12 1 1 B 16 16 VAL N N 59 120.225 115.256 4.969 1
1 53 . 12 1 1 B 17 17 GLU H H 60 8.259 7.934 0.325 1
1 54 . 12 1 1 B 17 17 GLU CA C 60 56.876 59.080 -2.204 1
1 55 . 12 1 1 B 17 17 GLU CB C 60 29.896 29.345 0.551 1
1 56 . 12 1 1 B 17 17 GLU N N 60 122.595 120.658 1.937 1
1 57 . 12 1 1 B 18 18 ILE H H 61 8.066 7.906 0.160 1
1 58 . 12 1 1 B 18 18 ILE CA C 61 61.857 64.679 -2.822 1
1 59 . 12 1 1 B 18 18 ILE CB C 61 38.266 37.546 0.720 1
1 60 . 12 1 1 B 18 18 ILE N N 61 122.128 121.472 0.656 1
1 61 . 12 1 1 B 19 19 VAL H H 62 8.111 8.091 0.020 1
1 62 . 12 1 1 B 19 19 VAL CA C 62 63.616 65.429 -1.813 1
1 63 . 12 1 1 B 19 19 VAL CB C 62 32.098 31.340 0.758 1
1 64 . 12 1 1 B 19 19 VAL N N 62 123.554 121.032 2.522 1
1 65 . 12 1 1 B 20 20 LYS H H 63 8.235 7.832 0.403 1
1 66 . 12 1 1 B 20 20 LYS CA C 63 57.431 58.767 -1.336 1
1 67 . 12 1 1 B 20 20 LYS CB C 63 32.617 31.697 0.920 1
1 68 . 12 1 1 B 20 20 LYS N N 63 123.314 120.558 2.756 1
1 69 . 12 1 1 B 21 21 GLU H H 64 8.257 7.946 0.311 1
1 70 . 12 1 1 B 21 21 GLU CA C 64 57.310 59.429 -2.119 1
1 71 . 12 1 1 B 21 21 GLU CB C 64 29.885 29.168 0.717 1
1 72 . 12 1 1 B 21 21 GLU N N 64 120.622 119.755 0.867 1
1 73 . 12 1 1 B 22 22 ARG H H 65 8.179 7.870 0.309 1
1 74 . 12 1 1 B 22 22 ARG CA C 65 56.674 58.663 -1.989 1
1 75 . 12 1 1 B 22 22 ARG CB C 65 30.520 30.039 0.481 1
1 76 . 12 1 1 B 22 22 ARG N N 65 120.784 119.433 1.351 1
1 77 . 12 1 1 B 23 23 LEU H H 66 8.042 8.106 -0.064 1
1 78 . 12 1 1 B 23 23 LEU CA C 66 55.297 56.947 -1.650 1
1 79 . 12 1 1 B 23 23 LEU CB C 66 42.087 41.431 0.656 1
1 80 . 12 1 1 B 23 23 LEU N N 66 121.246 122.034 -0.788 1
1 81 . 12 1 1 B 24 24 ARG H H 67 8.073 8.202 -0.129 1
1 82 . 12 1 1 B 24 24 ARG CA C 67 56.102 57.785 -1.683 1
1 83 . 12 1 1 B 24 24 ARG CB C 67 30.732 29.188 1.544 1
1 84 . 12 1 1 B 24 24 ARG N N 67 120.656 116.540 4.116 1
1 85 . 12 1 1 B 25 25 ASN H H 68 8.191 7.762 0.429 1
1 86 . 12 1 1 B 25 25 ASN CA C 68 56.384 51.099 5.285 1
1 87 . 12 1 1 B 25 25 ASN CB C 68 41.056 38.796 2.260 1
1 88 . 12 1 1 B 25 25 ASN N N 68 120.784 117.511 3.273 1
1 89 . 12 1 1 B 26 26 PRO CA C 69 62.979 65.268 -2.289 1
1 90 . 12 1 1 B 26 26 PRO CB C 69 32.101 31.805 0.296 1
1 91 . 12 1 1 B 27 27 LYS H H 70 8.322 7.960 0.362 1
1 92 . 12 1 1 B 27 27 LYS CA C 70 53.847 56.567 -2.720 1
1 93 . 12 1 1 B 27 27 LYS CB C 70 32.330 31.069 1.261 1
1 94 . 12 1 1 B 27 27 LYS N N 70 122.519 115.414 7.105 1
1 95 . 12 1 1 B 28 28 PRO CA C 71 62.803 62.175 0.628 1
1 96 . 12 1 1 B 28 28 PRO CB C 71 32.090 32.572 -0.482 1
1 97 . 12 1 1 B 29 29 VAL H H 72 8.250 8.562 -0.312 1
1 98 . 12 1 1 B 29 29 VAL CA C 72 62.281 60.999 1.282 1
1 99 . 12 1 1 B 29 29 VAL CB C 72 32.706 33.336 -0.630 1
1 100 . 12 1 1 B 29 29 VAL N N 72 120.957 123.519 -2.562 1
1 101 . 12 1 1 B 30 30 ARG H H 73 8.386 8.656 -0.270 1
1 102 . 12 1 1 B 30 30 ARG CA C 73 55.613 56.911 -1.298 1
1 103 . 12 1 1 B 30 30 ARG CB C 73 30.903 30.672 0.231 1
1 104 . 12 1 1 B 30 30 ARG N N 73 125.259 128.266 -3.007 1
1 105 . 12 1 1 B 31 31 VAL H H 74 8.338 8.823 -0.485 1
1 106 . 12 1 1 B 31 31 VAL CA C 74 62.185 59.157 3.028 1
1 107 . 12 1 1 B 31 31 VAL CB C 74 32.821 36.381 -3.560 1
1 108 . 12 1 1 B 31 31 VAL N N 74 122.368 119.555 2.813 1
1 109 . 12 1 1 B 32 32 THR H H 75 8.228 8.364 -0.136 1
1 110 . 12 1 1 B 32 32 THR CA C 75 61.337 59.160 2.177 1
1 111 . 12 1 1 B 32 32 THR CB C 75 69.630 71.946 -2.316 1
1 112 . 12 1 1 B 32 32 THR N N 75 118.303 111.053 7.250 1
1 113 . 12 1 1 B 33 33 LEU H H 76 8.361 8.963 -0.602 1
1 114 . 12 1 1 B 33 33 LEU CA C 76 55.083 57.767 -2.684 1
1 115 . 12 1 1 B 33 33 LEU CB C 76 42.167 41.489 0.678 1
1 116 . 12 1 1 B 33 33 LEU N N 76 124.501 122.597 1.904 1
1 117 . 12 1 1 B 34 34 ASP H H 77 8.252 8.421 -0.169 1
1 118 . 12 1 1 B 34 34 ASP CA C 77 54.463 57.772 -3.309 1
1 119 . 12 1 1 B 34 34 ASP CB C 77 41.065 41.390 -0.325 1
1 120 . 12 1 1 B 34 34 ASP N N 77 120.225 119.935 0.290 1
1 121 . 12 1 1 B 35 35 GLU H H 78 8.180 8.252 -0.072 1
1 122 . 12 1 1 B 35 35 GLU CA C 78 56.262 57.130 -0.868 1
1 123 . 12 1 1 B 35 35 GLU CB C 78 30.411 29.765 0.646 1
1 124 . 12 1 1 B 35 35 GLU N N 78 120.656 115.852 4.804 1
1 5 . 13 1 1 B 5 5 GLN H H 48 8.508 8.230 0.278 1
1 6 . 13 1 1 B 5 5 GLN CA C 48 55.746 56.007 -0.261 1
1 7 . 13 1 1 B 5 5 GLN CB C 48 29.540 29.100 0.440 1
1 8 . 13 1 1 B 5 5 GLN N N 48 121.949 123.031 -1.082 1
1 9 . 13 1 1 B 6 6 THR H H 49 8.245 8.407 -0.162 1
1 10 . 13 1 1 B 6 6 THR CA C 49 61.784 60.730 1.054 1
1 11 . 13 1 1 B 6 6 THR CB C 49 69.534 70.271 -0.737 1
1 12 . 13 1 1 B 6 6 THR N N 49 116.347 112.688 3.659 1
1 13 . 13 1 1 B 7 7 LEU H H 50 8.322 8.845 -0.523 1
1 14 . 13 1 1 B 7 7 LEU CA C 50 54.935 54.544 0.391 1
1 15 . 13 1 1 B 7 7 LEU CB C 50 42.296 42.007 0.289 1
1 16 . 13 1 1 B 7 7 LEU N N 50 124.968 126.133 -1.165 1
1 17 . 13 1 1 B 8 8 LEU H H 51 8.306 7.578 0.728 1
1 18 . 13 1 1 B 8 8 LEU CA C 51 54.908 52.752 2.156 1
1 19 . 13 1 1 B 8 8 LEU CB C 51 42.296 45.833 -3.537 1
1 20 . 13 1 1 B 8 8 LEU N N 51 123.239 116.109 7.130 1
1 21 . 13 1 1 B 9 9 SER H H 52 8.375 8.589 -0.214 1
1 22 . 13 1 1 B 9 9 SER CA C 52 57.866 56.453 1.413 1
1 23 . 13 1 1 B 9 9 SER CB C 52 63.889 65.206 -1.317 1
1 24 . 13 1 1 B 9 9 SER N N 52 116.347 113.744 2.603 1
1 25 . 13 1 1 B 10 10 ASP H H 53 8.434 8.959 -0.525 1
1 26 . 13 1 1 B 10 10 ASP CA C 53 54.825 57.319 -2.494 1
1 27 . 13 1 1 B 10 10 ASP CB C 53 40.825 40.418 0.407 1
1 28 . 13 1 1 B 10 10 ASP N N 53 122.469 124.972 -2.503 1
1 29 . 13 1 1 B 11 11 GLU H H 54 8.384 9.170 -0.786 1
1 30 . 13 1 1 B 11 11 GLU CA C 54 57.149 58.241 -1.092 1
1 31 . 13 1 1 B 11 11 GLU CB C 54 30.127 27.689 2.438 1
1 32 . 13 1 1 B 11 11 GLU N N 54 120.496 116.686 3.810 1
1 33 . 13 1 1 B 12 12 ASP H H 55 8.222 8.405 -0.183 1
1 34 . 13 1 1 B 12 12 ASP CA C 55 54.679 56.595 -1.916 1
1 35 . 13 1 1 B 12 12 ASP CB C 55 41.028 41.151 -0.123 1
1 36 . 13 1 1 B 12 12 ASP N N 55 121.015 119.772 1.243 1
1 37 . 13 1 1 B 13 13 ALA H H 56 8.137 7.778 0.359 1
1 38 . 13 1 1 B 13 13 ALA CA C 56 53.158 55.099 -1.941 1
1 39 . 13 1 1 B 13 13 ALA CB C 56 19.134 18.137 0.997 1
1 40 . 13 1 1 B 13 13 ALA N N 56 124.104 122.093 2.011 1
1 41 . 13 1 1 B 14 14 GLU H H 57 8.275 8.042 0.233 1
1 42 . 13 1 1 B 14 14 GLU CA C 57 56.973 58.702 -1.729 1
1 43 . 13 1 1 B 14 14 GLU CB C 57 29.882 29.612 0.270 1
1 44 . 13 1 1 B 14 14 GLU N N 57 118.808 118.743 0.065 1
1 45 . 13 1 1 B 15 15 LEU H H 58 8.025 7.592 0.433 1
1 46 . 13 1 1 B 15 15 LEU CA C 58 55.578 55.956 -0.378 1
1 47 . 13 1 1 B 15 15 LEU CB C 58 41.884 42.676 -0.792 1
1 48 . 13 1 1 B 15 15 LEU N N 58 122.227 119.134 3.093 1
1 49 . 13 1 1 B 16 16 VAL H H 59 7.949 7.954 -0.005 1
1 50 . 13 1 1 B 16 16 VAL CA C 59 63.178 66.869 -3.691 1
1 51 . 13 1 1 B 16 16 VAL CB C 59 32.422 31.296 1.126 1
1 52 . 13 1 1 B 16 16 VAL N N 59 120.225 119.308 0.917 1
1 53 . 13 1 1 B 17 17 GLU H H 60 8.259 8.455 -0.196 1
1 54 . 13 1 1 B 17 17 GLU CA C 60 56.876 58.684 -1.808 1
1 55 . 13 1 1 B 17 17 GLU CB C 60 29.896 28.267 1.629 1
1 56 . 13 1 1 B 17 17 GLU N N 60 122.595 118.980 3.615 1
1 57 . 13 1 1 B 18 18 ILE H H 61 8.066 7.826 0.240 1
1 58 . 13 1 1 B 18 18 ILE CA C 61 61.857 64.421 -2.564 1
1 59 . 13 1 1 B 18 18 ILE CB C 61 38.266 37.809 0.457 1
1 60 . 13 1 1 B 18 18 ILE N N 61 122.128 121.618 0.510 1
1 61 . 13 1 1 B 19 19 VAL H H 62 8.111 8.144 -0.033 1
1 62 . 13 1 1 B 19 19 VAL CA C 62 63.616 65.366 -1.750 1
1 63 . 13 1 1 B 19 19 VAL CB C 62 32.098 31.465 0.633 1
1 64 . 13 1 1 B 19 19 VAL N N 62 123.554 121.450 2.104 1
1 65 . 13 1 1 B 20 20 LYS H H 63 8.235 8.088 0.147 1
1 66 . 13 1 1 B 20 20 LYS CA C 63 57.431 58.882 -1.451 1
1 67 . 13 1 1 B 20 20 LYS CB C 63 32.617 32.200 0.417 1
1 68 . 13 1 1 B 20 20 LYS N N 63 123.314 119.869 3.445 1
1 69 . 13 1 1 B 21 21 GLU H H 64 8.257 8.012 0.245 1
1 70 . 13 1 1 B 21 21 GLU CA C 64 57.310 59.423 -2.113 1
1 71 . 13 1 1 B 21 21 GLU CB C 64 29.885 29.088 0.797 1
1 72 . 13 1 1 B 21 21 GLU N N 64 120.622 119.461 1.161 1
1 73 . 13 1 1 B 22 22 ARG H H 65 8.179 7.475 0.704 1
1 74 . 13 1 1 B 22 22 ARG CA C 65 56.674 57.899 -1.225 1
1 75 . 13 1 1 B 22 22 ARG CB C 65 30.520 30.334 0.186 1
1 76 . 13 1 1 B 22 22 ARG N N 65 120.784 119.793 0.991 1
1 77 . 13 1 1 B 23 23 LEU H H 66 8.042 7.776 0.266 1
1 78 . 13 1 1 B 23 23 LEU CA C 66 55.297 55.927 -0.630 1
1 79 . 13 1 1 B 23 23 LEU CB C 66 42.087 42.227 -0.140 1
1 80 . 13 1 1 B 23 23 LEU N N 66 121.246 117.316 3.930 1
1 81 . 13 1 1 B 24 24 ARG H H 67 8.073 8.269 -0.196 1
1 82 . 13 1 1 B 24 24 ARG CA C 67 56.102 58.699 -2.597 1
1 83 . 13 1 1 B 24 24 ARG CB C 67 30.732 29.617 1.115 1
1 84 . 13 1 1 B 24 24 ARG N N 67 120.656 118.504 2.152 1
1 85 . 13 1 1 B 25 25 ASN H H 68 8.191 7.866 0.325 1
1 86 . 13 1 1 B 25 25 ASN CA C 68 56.384 51.100 5.284 1
1 87 . 13 1 1 B 25 25 ASN CB C 68 41.056 39.046 2.010 1
1 88 . 13 1 1 B 25 25 ASN N N 68 120.784 117.432 3.352 1
1 89 . 13 1 1 B 26 26 PRO CA C 69 62.979 65.340 -2.361 1
1 90 . 13 1 1 B 26 26 PRO CB C 69 32.101 31.855 0.246 1
1 91 . 13 1 1 B 27 27 LYS H H 70 8.322 7.953 0.369 1
1 92 . 13 1 1 B 27 27 LYS CA C 70 53.847 56.505 -2.658 1
1 93 . 13 1 1 B 27 27 LYS CB C 70 32.330 31.036 1.294 1
1 94 . 13 1 1 B 27 27 LYS N N 70 122.519 115.779 6.740 1
1 95 . 13 1 1 B 28 28 PRO CA C 71 62.803 62.476 0.327 1
1 96 . 13 1 1 B 28 28 PRO CB C 71 32.090 31.943 0.147 1
1 97 . 13 1 1 B 29 29 VAL H H 72 8.250 8.623 -0.373 1
1 98 . 13 1 1 B 29 29 VAL CA C 72 62.281 61.549 0.732 1
1 99 . 13 1 1 B 29 29 VAL CB C 72 32.706 32.371 0.335 1
1 100 . 13 1 1 B 29 29 VAL N N 72 120.957 124.213 -3.256 1
1 101 . 13 1 1 B 30 30 ARG H H 73 8.386 8.732 -0.346 1
1 102 . 13 1 1 B 30 30 ARG CA C 73 55.613 56.669 -1.056 1
1 103 . 13 1 1 B 30 30 ARG CB C 73 30.903 30.711 0.192 1
1 104 . 13 1 1 B 30 30 ARG N N 73 125.259 128.571 -3.312 1
1 105 . 13 1 1 B 31 31 VAL H H 74 8.338 8.836 -0.498 1
1 106 . 13 1 1 B 31 31 VAL CA C 74 62.185 59.057 3.128 1
1 107 . 13 1 1 B 31 31 VAL CB C 74 32.821 36.552 -3.731 1
1 108 . 13 1 1 B 31 31 VAL N N 74 122.368 119.332 3.036 1
1 109 . 13 1 1 B 32 32 THR H H 75 8.228 8.340 -0.112 1
1 110 . 13 1 1 B 32 32 THR CA C 75 61.337 59.244 2.093 1
1 111 . 13 1 1 B 32 32 THR CB C 75 69.630 71.953 -2.323 1
1 112 . 13 1 1 B 32 32 THR N N 75 118.303 110.809 7.494 1
1 113 . 13 1 1 B 33 33 LEU H H 76 8.361 8.897 -0.536 1
1 114 . 13 1 1 B 33 33 LEU CA C 76 55.083 57.257 -2.174 1
1 115 . 13 1 1 B 33 33 LEU CB C 76 42.167 41.615 0.552 1
1 116 . 13 1 1 B 33 33 LEU N N 76 124.501 122.093 2.408 1
1 117 . 13 1 1 B 34 34 ASP H H 77 8.252 8.228 0.024 1
1 118 . 13 1 1 B 34 34 ASP CA C 77 54.463 57.449 -2.986 1
1 119 . 13 1 1 B 34 34 ASP CB C 77 41.065 40.819 0.246 1
1 120 . 13 1 1 B 34 34 ASP N N 77 120.225 119.680 0.545 1
1 121 . 13 1 1 B 35 35 GLU H H 78 8.180 8.260 -0.080 1
1 122 . 13 1 1 B 35 35 GLU CA C 78 56.262 57.680 -1.418 1
1 123 . 13 1 1 B 35 35 GLU CB C 78 30.411 29.629 0.782 1
1 124 . 13 1 1 B 35 35 GLU N N 78 120.656 116.154 4.502 1
1 5 . 14 1 1 B 5 5 GLN H H 48 8.508 8.007 0.501 1
1 6 . 14 1 1 B 5 5 GLN CA C 48 55.746 55.161 0.585 1
1 7 . 14 1 1 B 5 5 GLN CB C 48 29.540 28.587 0.953 1
1 8 . 14 1 1 B 5 5 GLN N N 48 121.949 114.751 7.198 1
1 9 . 14 1 1 B 6 6 THR H H 49 8.245 8.450 -0.205 1
1 10 . 14 1 1 B 6 6 THR CA C 49 61.784 60.932 0.852 1
1 11 . 14 1 1 B 6 6 THR CB C 49 69.534 69.151 0.383 1
1 12 . 14 1 1 B 6 6 THR N N 49 116.347 116.778 -0.431 1
1 13 . 14 1 1 B 7 7 LEU H H 50 8.322 8.820 -0.498 1
1 14 . 14 1 1 B 7 7 LEU CA C 50 54.935 54.352 0.583 1
1 15 . 14 1 1 B 7 7 LEU CB C 50 42.296 40.288 2.008 1
1 16 . 14 1 1 B 7 7 LEU N N 50 124.968 128.379 -3.411 1
1 17 . 14 1 1 B 8 8 LEU H H 51 8.306 8.281 0.025 1
1 18 . 14 1 1 B 8 8 LEU CA C 51 54.908 53.006 1.902 1
1 19 . 14 1 1 B 8 8 LEU CB C 51 42.296 46.407 -4.111 1
1 20 . 14 1 1 B 8 8 LEU N N 51 123.239 120.711 2.528 1
1 21 . 14 1 1 B 9 9 SER H H 52 8.375 8.944 -0.569 1
1 22 . 14 1 1 B 9 9 SER CA C 52 57.866 55.846 2.020 1
1 23 . 14 1 1 B 9 9 SER CB C 52 63.889 65.296 -1.407 1
1 24 . 14 1 1 B 9 9 SER N N 52 116.347 113.992 2.355 1
1 25 . 14 1 1 B 10 10 ASP H H 53 8.434 8.819 -0.385 1
1 26 . 14 1 1 B 10 10 ASP CA C 53 54.825 56.206 -1.381 1
1 27 . 14 1 1 B 10 10 ASP CB C 53 40.825 40.730 0.095 1
1 28 . 14 1 1 B 10 10 ASP N N 53 122.469 125.942 -3.473 1
1 29 . 14 1 1 B 11 11 GLU H H 54 8.384 8.541 -0.157 1
1 30 . 14 1 1 B 11 11 GLU CA C 54 57.149 59.169 -2.020 1
1 31 . 14 1 1 B 11 11 GLU CB C 54 30.127 28.788 1.339 1
1 32 . 14 1 1 B 11 11 GLU N N 54 120.496 117.271 3.225 1
1 33 . 14 1 1 B 12 12 ASP H H 55 8.222 8.204 0.018 1
1 34 . 14 1 1 B 12 12 ASP CA C 55 54.679 57.139 -2.460 1
1 35 . 14 1 1 B 12 12 ASP CB C 55 41.028 40.208 0.820 1
1 36 . 14 1 1 B 12 12 ASP N N 55 121.015 120.399 0.616 1
1 37 . 14 1 1 B 13 13 ALA H H 56 8.137 8.231 -0.094 1
1 38 . 14 1 1 B 13 13 ALA CA C 56 53.158 54.957 -1.799 1
1 39 . 14 1 1 B 13 13 ALA CB C 56 19.134 18.306 0.828 1
1 40 . 14 1 1 B 13 13 ALA N N 56 124.104 122.838 1.266 1
1 41 . 14 1 1 B 14 14 GLU H H 57 8.275 7.388 0.887 1
1 42 . 14 1 1 B 14 14 GLU CA C 57 56.973 58.476 -1.503 1
1 43 . 14 1 1 B 14 14 GLU CB C 57 29.882 29.623 0.259 1
1 44 . 14 1 1 B 14 14 GLU N N 57 118.808 119.767 -0.959 1
1 45 . 14 1 1 B 15 15 LEU H H 58 8.025 8.100 -0.075 1
1 46 . 14 1 1 B 15 15 LEU CA C 58 55.578 58.013 -2.435 1
1 47 . 14 1 1 B 15 15 LEU CB C 58 41.884 41.194 0.690 1
1 48 . 14 1 1 B 15 15 LEU N N 58 122.227 119.940 2.287 1
1 49 . 14 1 1 B 16 16 VAL H H 59 7.949 8.239 -0.290 1
1 50 . 14 1 1 B 16 16 VAL CA C 59 63.178 66.862 -3.684 1
1 51 . 14 1 1 B 16 16 VAL CB C 59 32.422 31.438 0.984 1
1 52 . 14 1 1 B 16 16 VAL N N 59 120.225 120.217 0.008 1
1 53 . 14 1 1 B 17 17 GLU H H 60 8.259 8.089 0.170 1
1 54 . 14 1 1 B 17 17 GLU CA C 60 56.876 59.043 -2.167 1
1 55 . 14 1 1 B 17 17 GLU CB C 60 29.896 29.099 0.797 1
1 56 . 14 1 1 B 17 17 GLU N N 60 122.595 119.401 3.194 1
1 57 . 14 1 1 B 18 18 ILE H H 61 8.066 7.968 0.098 1
1 58 . 14 1 1 B 18 18 ILE CA C 61 61.857 64.916 -3.059 1
1 59 . 14 1 1 B 18 18 ILE CB C 61 38.266 37.804 0.462 1
1 60 . 14 1 1 B 18 18 ILE N N 61 122.128 121.473 0.655 1
1 61 . 14 1 1 B 19 19 VAL H H 62 8.111 8.112 -0.001 1
1 62 . 14 1 1 B 19 19 VAL CA C 62 63.616 65.415 -1.799 1
1 63 . 14 1 1 B 19 19 VAL CB C 62 32.098 31.485 0.613 1
1 64 . 14 1 1 B 19 19 VAL N N 62 123.554 121.427 2.127 1
1 65 . 14 1 1 B 20 20 LYS H H 63 8.235 8.135 0.100 1
1 66 . 14 1 1 B 20 20 LYS CA C 63 57.431 58.885 -1.454 1
1 67 . 14 1 1 B 20 20 LYS CB C 63 32.617 31.924 0.693 1
1 68 . 14 1 1 B 20 20 LYS N N 63 123.314 120.279 3.035 1
1 69 . 14 1 1 B 21 21 GLU H H 64 8.257 7.585 0.672 1
1 70 . 14 1 1 B 21 21 GLU CA C 64 57.310 59.011 -1.701 1
1 71 . 14 1 1 B 21 21 GLU CB C 64 29.885 29.520 0.365 1
1 72 . 14 1 1 B 21 21 GLU N N 64 120.622 119.696 0.926 1
1 73 . 14 1 1 B 22 22 ARG H H 65 8.179 7.826 0.353 1
1 74 . 14 1 1 B 22 22 ARG CA C 65 56.674 57.885 -1.211 1
1 75 . 14 1 1 B 22 22 ARG CB C 65 30.520 29.947 0.573 1
1 76 . 14 1 1 B 22 22 ARG N N 65 120.784 119.939 0.845 1
1 77 . 14 1 1 B 23 23 LEU H H 66 8.042 7.748 0.294 1
1 78 . 14 1 1 B 23 23 LEU CA C 66 55.297 55.918 -0.621 1
1 79 . 14 1 1 B 23 23 LEU CB C 66 42.087 42.194 -0.107 1
1 80 . 14 1 1 B 23 23 LEU N N 66 121.246 117.508 3.738 1
1 81 . 14 1 1 B 24 24 ARG H H 67 8.073 8.263 -0.190 1
1 82 . 14 1 1 B 24 24 ARG CA C 67 56.102 57.964 -1.862 1
1 83 . 14 1 1 B 24 24 ARG CB C 67 30.732 29.953 0.779 1
1 84 . 14 1 1 B 24 24 ARG N N 67 120.656 117.836 2.820 1
1 85 . 14 1 1 B 25 25 ASN H H 68 8.191 8.017 0.174 1
1 86 . 14 1 1 B 25 25 ASN CA C 68 56.384 50.433 5.951 1
1 87 . 14 1 1 B 25 25 ASN CB C 68 41.056 38.987 2.069 1
1 88 . 14 1 1 B 25 25 ASN N N 68 120.784 117.921 2.863 1
1 89 . 14 1 1 B 26 26 PRO CA C 69 62.979 65.873 -2.894 1
1 90 . 14 1 1 B 26 26 PRO CB C 69 32.101 31.572 0.529 1
1 91 . 14 1 1 B 27 27 LYS H H 70 8.322 7.964 0.358 1
1 92 . 14 1 1 B 27 27 LYS CA C 70 53.847 56.497 -2.650 1
1 93 . 14 1 1 B 27 27 LYS CB C 70 32.330 31.038 1.292 1
1 94 . 14 1 1 B 27 27 LYS N N 70 122.519 115.471 7.048 1
1 95 . 14 1 1 B 28 28 PRO CA C 71 62.803 62.316 0.487 1
1 96 . 14 1 1 B 28 28 PRO CB C 71 32.090 32.741 -0.651 1
1 97 . 14 1 1 B 29 29 VAL H H 72 8.250 8.512 -0.262 1
1 98 . 14 1 1 B 29 29 VAL CA C 72 62.281 60.807 1.474 1
1 99 . 14 1 1 B 29 29 VAL CB C 72 32.706 33.797 -1.091 1
1 100 . 14 1 1 B 29 29 VAL N N 72 120.957 121.448 -0.491 1
1 101 . 14 1 1 B 30 30 ARG H H 73 8.386 8.645 -0.259 1
1 102 . 14 1 1 B 30 30 ARG CA C 73 55.613 56.884 -1.271 1
1 103 . 14 1 1 B 30 30 ARG CB C 73 30.903 30.701 0.202 1
1 104 . 14 1 1 B 30 30 ARG N N 73 125.259 128.289 -3.030 1
1 105 . 14 1 1 B 31 31 VAL H H 74 8.338 8.830 -0.492 1
1 106 . 14 1 1 B 31 31 VAL CA C 74 62.185 59.095 3.090 1
1 107 . 14 1 1 B 31 31 VAL CB C 74 32.821 36.413 -3.592 1
1 108 . 14 1 1 B 31 31 VAL N N 74 122.368 119.560 2.808 1
1 109 . 14 1 1 B 32 32 THR H H 75 8.228 8.381 -0.153 1
1 110 . 14 1 1 B 32 32 THR CA C 75 61.337 59.175 2.162 1
1 111 . 14 1 1 B 32 32 THR CB C 75 69.630 72.016 -2.386 1
1 112 . 14 1 1 B 32 32 THR N N 75 118.303 110.884 7.419 1
1 113 . 14 1 1 B 33 33 LEU H H 76 8.361 8.914 -0.553 1
1 114 . 14 1 1 B 33 33 LEU CA C 76 55.083 57.608 -2.525 1
1 115 . 14 1 1 B 33 33 LEU CB C 76 42.167 41.363 0.804 1
1 116 . 14 1 1 B 33 33 LEU N N 76 124.501 122.589 1.912 1
1 117 . 14 1 1 B 34 34 ASP H H 77 8.252 8.114 0.138 1
1 118 . 14 1 1 B 34 34 ASP CA C 77 54.463 56.709 -2.246 1
1 119 . 14 1 1 B 34 34 ASP CB C 77 41.065 40.850 0.215 1
1 120 . 14 1 1 B 34 34 ASP N N 77 120.225 119.932 0.293 1
1 121 . 14 1 1 B 35 35 GLU H H 78 8.180 7.963 0.217 1
1 122 . 14 1 1 B 35 35 GLU CA C 78 56.262 56.306 -0.044 1
1 123 . 14 1 1 B 35 35 GLU CB C 78 30.411 29.605 0.806 1
1 124 . 14 1 1 B 35 35 GLU N N 78 120.656 115.047 5.609 1
1 5 . 15 1 1 B 5 5 GLN H H 48 8.508 7.736 0.772 1
1 6 . 15 1 1 B 5 5 GLN CA C 48 55.746 54.711 1.035 1
1 7 . 15 1 1 B 5 5 GLN CB C 48 29.540 30.035 -0.495 1
1 8 . 15 1 1 B 5 5 GLN N N 48 121.949 118.871 3.078 1
1 9 . 15 1 1 B 6 6 THR H H 49 8.245 8.808 -0.563 1
1 10 . 15 1 1 B 6 6 THR CA C 49 61.784 63.153 -1.369 1
1 11 . 15 1 1 B 6 6 THR CB C 49 69.534 69.322 0.212 1
1 12 . 15 1 1 B 6 6 THR N N 49 116.347 122.382 -6.035 1
1 13 . 15 1 1 B 7 7 LEU H H 50 8.322 8.593 -0.271 1
1 14 . 15 1 1 B 7 7 LEU CA C 50 54.935 54.575 0.360 1
1 15 . 15 1 1 B 7 7 LEU CB C 50 42.296 40.358 1.938 1
1 16 . 15 1 1 B 7 7 LEU N N 50 124.968 128.225 -3.257 1
1 17 . 15 1 1 B 8 8 LEU H H 51 8.306 8.351 -0.045 1
1 18 . 15 1 1 B 8 8 LEU CA C 51 54.908 53.776 1.132 1
1 19 . 15 1 1 B 8 8 LEU CB C 51 42.296 45.096 -2.800 1
1 20 . 15 1 1 B 8 8 LEU N N 51 123.239 120.326 2.913 1
1 21 . 15 1 1 B 9 9 SER H H 52 8.375 9.403 -1.028 1
1 22 . 15 1 1 B 9 9 SER CA C 52 57.866 55.908 1.958 1
1 23 . 15 1 1 B 9 9 SER CB C 52 63.889 65.360 -1.471 1
1 24 . 15 1 1 B 9 9 SER N N 52 116.347 114.554 1.793 1
1 25 . 15 1 1 B 10 10 ASP H H 53 8.434 8.692 -0.258 1
1 26 . 15 1 1 B 10 10 ASP CA C 53 54.825 54.100 0.725 1
1 27 . 15 1 1 B 10 10 ASP CB C 53 40.825 40.908 -0.083 1
1 28 . 15 1 1 B 10 10 ASP N N 53 122.469 124.603 -2.134 1
1 29 . 15 1 1 B 11 11 GLU H H 54 8.384 8.826 -0.442 1
1 30 . 15 1 1 B 11 11 GLU CA C 54 57.149 59.444 -2.295 1
1 31 . 15 1 1 B 11 11 GLU CB C 54 30.127 28.988 1.139 1
1 32 . 15 1 1 B 11 11 GLU N N 54 120.496 118.291 2.205 1
1 33 . 15 1 1 B 12 12 ASP H H 55 8.222 8.100 0.122 1
1 34 . 15 1 1 B 12 12 ASP CA C 55 54.679 57.023 -2.344 1
1 35 . 15 1 1 B 12 12 ASP CB C 55 41.028 40.356 0.672 1
1 36 . 15 1 1 B 12 12 ASP N N 55 121.015 120.493 0.522 1
1 37 . 15 1 1 B 13 13 ALA H H 56 8.137 8.234 -0.097 1
1 38 . 15 1 1 B 13 13 ALA CA C 56 53.158 55.077 -1.919 1
1 39 . 15 1 1 B 13 13 ALA CB C 56 19.134 18.193 0.941 1
1 40 . 15 1 1 B 13 13 ALA N N 56 124.104 122.439 1.665 1
1 41 . 15 1 1 B 14 14 GLU H H 57 8.275 7.592 0.683 1
1 42 . 15 1 1 B 14 14 GLU CA C 57 56.973 58.792 -1.819 1
1 43 . 15 1 1 B 14 14 GLU CB C 57 29.882 29.361 0.521 1
1 44 . 15 1 1 B 14 14 GLU N N 57 118.808 118.628 0.180 1
1 45 . 15 1 1 B 15 15 LEU H H 58 8.025 7.820 0.205 1
1 46 . 15 1 1 B 15 15 LEU CA C 58 55.578 57.990 -2.412 1
1 47 . 15 1 1 B 15 15 LEU CB C 58 41.884 41.867 0.017 1
1 48 . 15 1 1 B 15 15 LEU N N 58 122.227 120.390 1.837 1
1 49 . 15 1 1 B 16 16 VAL H H 59 7.949 7.849 0.100 1
1 50 . 15 1 1 B 16 16 VAL CA C 59 63.178 65.556 -2.378 1
1 51 . 15 1 1 B 16 16 VAL CB C 59 32.422 31.398 1.024 1
1 52 . 15 1 1 B 16 16 VAL N N 59 120.225 114.487 5.738 1
1 53 . 15 1 1 B 17 17 GLU H H 60 8.259 8.272 -0.013 1
1 54 . 15 1 1 B 17 17 GLU CA C 60 56.876 59.014 -2.138 1
1 55 . 15 1 1 B 17 17 GLU CB C 60 29.896 29.348 0.548 1
1 56 . 15 1 1 B 17 17 GLU N N 60 122.595 120.404 2.191 1
1 57 . 15 1 1 B 18 18 ILE H H 61 8.066 7.772 0.294 1
1 58 . 15 1 1 B 18 18 ILE CA C 61 61.857 64.745 -2.888 1
1 59 . 15 1 1 B 18 18 ILE CB C 61 38.266 37.851 0.415 1
1 60 . 15 1 1 B 18 18 ILE N N 61 122.128 121.509 0.619 1
1 61 . 15 1 1 B 19 19 VAL H H 62 8.111 8.139 -0.028 1
1 62 . 15 1 1 B 19 19 VAL CA C 62 63.616 65.454 -1.838 1
1 63 . 15 1 1 B 19 19 VAL CB C 62 32.098 31.351 0.747 1
1 64 . 15 1 1 B 19 19 VAL N N 62 123.554 120.815 2.739 1
1 65 . 15 1 1 B 20 20 LYS H H 63 8.235 8.005 0.230 1
1 66 . 15 1 1 B 20 20 LYS CA C 63 57.431 58.712 -1.281 1
1 67 . 15 1 1 B 20 20 LYS CB C 63 32.617 31.352 1.265 1
1 68 . 15 1 1 B 20 20 LYS N N 63 123.314 120.524 2.790 1
1 69 . 15 1 1 B 21 21 GLU H H 64 8.257 7.476 0.781 1
1 70 . 15 1 1 B 21 21 GLU CA C 64 57.310 59.064 -1.754 1
1 71 . 15 1 1 B 21 21 GLU CB C 64 29.885 29.424 0.461 1
1 72 . 15 1 1 B 21 21 GLU N N 64 120.622 119.839 0.783 1
1 73 . 15 1 1 B 22 22 ARG H H 65 8.179 7.834 0.345 1
1 74 . 15 1 1 B 22 22 ARG CA C 65 56.674 58.595 -1.921 1
1 75 . 15 1 1 B 22 22 ARG CB C 65 30.520 30.012 0.508 1
1 76 . 15 1 1 B 22 22 ARG N N 65 120.784 119.906 0.878 1
1 77 . 15 1 1 B 23 23 LEU H H 66 8.042 8.218 -0.176 1
1 78 . 15 1 1 B 23 23 LEU CA C 66 55.297 56.976 -1.679 1
1 79 . 15 1 1 B 23 23 LEU CB C 66 42.087 41.254 0.833 1
1 80 . 15 1 1 B 23 23 LEU N N 66 121.246 122.131 -0.885 1
1 81 . 15 1 1 B 24 24 ARG H H 67 8.073 8.805 -0.732 1
1 82 . 15 1 1 B 24 24 ARG CA C 67 56.102 58.707 -2.605 1
1 83 . 15 1 1 B 24 24 ARG CB C 67 30.732 29.792 0.940 1
1 84 . 15 1 1 B 24 24 ARG N N 67 120.656 116.623 4.033 1
1 85 . 15 1 1 B 25 25 ASN H H 68 8.191 7.483 0.708 1
1 86 . 15 1 1 B 25 25 ASN CA C 68 56.384 51.131 5.253 1
1 87 . 15 1 1 B 25 25 ASN CB C 68 41.056 38.831 2.225 1
1 88 . 15 1 1 B 25 25 ASN N N 68 120.784 117.450 3.334 1
1 89 . 15 1 1 B 26 26 PRO CA C 69 62.979 64.870 -1.891 1
1 90 . 15 1 1 B 26 26 PRO CB C 69 32.101 32.028 0.073 1
1 91 . 15 1 1 B 27 27 LYS H H 70 8.322 7.955 0.367 1
1 92 . 15 1 1 B 27 27 LYS CA C 70 53.847 56.473 -2.626 1
1 93 . 15 1 1 B 27 27 LYS CB C 70 32.330 30.878 1.452 1
1 94 . 15 1 1 B 27 27 LYS N N 70 122.519 115.595 6.924 1
1 95 . 15 1 1 B 28 28 PRO CA C 71 62.803 62.252 0.551 1
1 96 . 15 1 1 B 28 28 PRO CB C 71 32.090 32.674 -0.584 1
1 97 . 15 1 1 B 29 29 VAL H H 72 8.250 8.548 -0.298 1
1 98 . 15 1 1 B 29 29 VAL CA C 72 62.281 61.125 1.156 1
1 99 . 15 1 1 B 29 29 VAL CB C 72 32.706 32.714 -0.008 1
1 100 . 15 1 1 B 29 29 VAL N N 72 120.957 123.651 -2.694 1
1 101 . 15 1 1 B 30 30 ARG H H 73 8.386 8.755 -0.369 1
1 102 . 15 1 1 B 30 30 ARG CA C 73 55.613 56.440 -0.827 1
1 103 . 15 1 1 B 30 30 ARG CB C 73 30.903 30.712 0.191 1
1 104 . 15 1 1 B 30 30 ARG N N 73 125.259 128.523 -3.264 1
1 105 . 15 1 1 B 31 31 VAL H H 74 8.338 8.832 -0.494 1
1 106 . 15 1 1 B 31 31 VAL CA C 74 62.185 59.103 3.082 1
1 107 . 15 1 1 B 31 31 VAL CB C 74 32.821 36.588 -3.767 1
1 108 . 15 1 1 B 31 31 VAL N N 74 122.368 119.421 2.947 1
1 109 . 15 1 1 B 32 32 THR H H 75 8.228 8.350 -0.122 1
1 110 . 15 1 1 B 32 32 THR CA C 75 61.337 59.249 2.088 1
1 111 . 15 1 1 B 32 32 THR CB C 75 69.630 72.028 -2.398 1
1 112 . 15 1 1 B 32 32 THR N N 75 118.303 110.875 7.428 1
1 113 . 15 1 1 B 33 33 LEU H H 76 8.361 8.976 -0.615 1
1 114 . 15 1 1 B 33 33 LEU CA C 76 55.083 57.613 -2.530 1
1 115 . 15 1 1 B 33 33 LEU CB C 76 42.167 41.547 0.620 1
1 116 . 15 1 1 B 33 33 LEU N N 76 124.501 122.031 2.470 1
1 117 . 15 1 1 B 34 34 ASP H H 77 8.252 8.203 0.049 1
1 118 . 15 1 1 B 34 34 ASP CA C 77 54.463 57.506 -3.043 1
1 119 . 15 1 1 B 34 34 ASP CB C 77 41.065 41.795 -0.730 1
1 120 . 15 1 1 B 34 34 ASP N N 77 120.225 119.909 0.316 1
1 121 . 15 1 1 B 35 35 GLU H H 78 8.180 7.801 0.379 1
1 122 . 15 1 1 B 35 35 GLU CA C 78 56.262 57.558 -1.296 1
1 123 . 15 1 1 B 35 35 GLU CB C 78 30.411 29.757 0.654 1
1 124 . 15 1 1 B 35 35 GLU N N 78 120.656 115.839 4.817 1
1 5 . 16 1 1 B 5 5 GLN H H 48 8.508 8.101 0.407 1
1 6 . 16 1 1 B 5 5 GLN CA C 48 55.746 56.650 -0.904 1
1 7 . 16 1 1 B 5 5 GLN CB C 48 29.540 27.117 2.423 1
1 8 . 16 1 1 B 5 5 GLN N N 48 121.949 118.632 3.317 1
1 9 . 16 1 1 B 6 6 THR H H 49 8.245 7.894 0.351 1
1 10 . 16 1 1 B 6 6 THR CA C 49 61.784 59.288 2.496 1
1 11 . 16 1 1 B 6 6 THR CB C 49 69.534 72.582 -3.048 1
1 12 . 16 1 1 B 6 6 THR N N 49 116.347 112.375 3.972 1
1 13 . 16 1 1 B 7 7 LEU H H 50 8.322 8.645 -0.323 1
1 14 . 16 1 1 B 7 7 LEU CA C 50 54.935 56.406 -1.471 1
1 15 . 16 1 1 B 7 7 LEU CB C 50 42.296 42.822 -0.526 1
1 16 . 16 1 1 B 7 7 LEU N N 50 124.968 120.952 4.016 1
1 17 . 16 1 1 B 8 8 LEU H H 51 8.306 7.427 0.879 1
1 18 . 16 1 1 B 8 8 LEU CA C 51 54.908 53.060 1.848 1
1 19 . 16 1 1 B 8 8 LEU CB C 51 42.296 44.173 -1.877 1
1 20 . 16 1 1 B 8 8 LEU N N 51 123.239 115.819 7.420 1
1 21 . 16 1 1 B 9 9 SER H H 52 8.375 8.980 -0.605 1
1 22 . 16 1 1 B 9 9 SER CA C 52 57.866 55.916 1.950 1
1 23 . 16 1 1 B 9 9 SER CB C 52 63.889 65.278 -1.389 1
1 24 . 16 1 1 B 9 9 SER N N 52 116.347 114.016 2.331 1
1 25 . 16 1 1 B 10 10 ASP H H 53 8.434 8.981 -0.547 1
1 26 . 16 1 1 B 10 10 ASP CA C 53 54.825 55.965 -1.140 1
1 27 . 16 1 1 B 10 10 ASP CB C 53 40.825 40.444 0.381 1
1 28 . 16 1 1 B 10 10 ASP N N 53 122.469 123.502 -1.033 1
1 29 . 16 1 1 B 11 11 GLU H H 54 8.384 8.757 -0.373 1
1 30 . 16 1 1 B 11 11 GLU CA C 54 57.149 59.516 -2.367 1
1 31 . 16 1 1 B 11 11 GLU CB C 54 30.127 29.078 1.049 1
1 32 . 16 1 1 B 11 11 GLU N N 54 120.496 118.346 2.150 1
1 33 . 16 1 1 B 12 12 ASP H H 55 8.222 7.721 0.501 1
1 34 . 16 1 1 B 12 12 ASP CA C 55 54.679 57.167 -2.488 1
1 35 . 16 1 1 B 12 12 ASP CB C 55 41.028 40.310 0.718 1
1 36 . 16 1 1 B 12 12 ASP N N 55 121.015 120.612 0.403 1
1 37 . 16 1 1 B 13 13 ALA H H 56 8.137 8.057 0.080 1
1 38 . 16 1 1 B 13 13 ALA CA C 56 53.158 54.548 -1.390 1
1 39 . 16 1 1 B 13 13 ALA CB C 56 19.134 18.237 0.897 1
1 40 . 16 1 1 B 13 13 ALA N N 56 124.104 122.514 1.590 1
1 41 . 16 1 1 B 14 14 GLU H H 57 8.275 7.837 0.438 1
1 42 . 16 1 1 B 14 14 GLU CA C 57 56.973 58.583 -1.610 1
1 43 . 16 1 1 B 14 14 GLU CB C 57 29.882 29.650 0.232 1
1 44 . 16 1 1 B 14 14 GLU N N 57 118.808 118.458 0.350 1
1 45 . 16 1 1 B 15 15 LEU H H 58 8.025 7.861 0.164 1
1 46 . 16 1 1 B 15 15 LEU CA C 58 55.578 57.799 -2.221 1
1 47 . 16 1 1 B 15 15 LEU CB C 58 41.884 41.411 0.473 1
1 48 . 16 1 1 B 15 15 LEU N N 58 122.227 120.046 2.181 1
1 49 . 16 1 1 B 16 16 VAL H H 59 7.949 7.878 0.071 1
1 50 . 16 1 1 B 16 16 VAL CA C 59 63.178 65.388 -2.210 1
1 51 . 16 1 1 B 16 16 VAL CB C 59 32.422 31.437 0.985 1
1 52 . 16 1 1 B 16 16 VAL N N 59 120.225 115.431 4.794 1
1 53 . 16 1 1 B 17 17 GLU H H 60 8.259 8.454 -0.195 1
1 54 . 16 1 1 B 17 17 GLU CA C 60 56.876 59.079 -2.203 1
1 55 . 16 1 1 B 17 17 GLU CB C 60 29.896 29.107 0.789 1
1 56 . 16 1 1 B 17 17 GLU N N 60 122.595 120.403 2.192 1
1 57 . 16 1 1 B 18 18 ILE H H 61 8.066 7.543 0.523 1
1 58 . 16 1 1 B 18 18 ILE CA C 61 61.857 64.994 -3.137 1
1 59 . 16 1 1 B 18 18 ILE CB C 61 38.266 37.587 0.679 1
1 60 . 16 1 1 B 18 18 ILE N N 61 122.128 121.394 0.734 1
1 61 . 16 1 1 B 19 19 VAL H H 62 8.111 8.134 -0.023 1
1 62 . 16 1 1 B 19 19 VAL CA C 62 63.616 65.432 -1.816 1
1 63 . 16 1 1 B 19 19 VAL CB C 62 32.098 31.407 0.691 1
1 64 . 16 1 1 B 19 19 VAL N N 62 123.554 121.351 2.203 1
1 65 . 16 1 1 B 20 20 LYS H H 63 8.235 8.077 0.158 1
1 66 . 16 1 1 B 20 20 LYS CA C 63 57.431 58.846 -1.415 1
1 67 . 16 1 1 B 20 20 LYS CB C 63 32.617 31.848 0.769 1
1 68 . 16 1 1 B 20 20 LYS N N 63 123.314 120.647 2.667 1
1 69 . 16 1 1 B 21 21 GLU H H 64 8.257 7.927 0.330 1
1 70 . 16 1 1 B 21 21 GLU CA C 64 57.310 59.382 -2.072 1
1 71 . 16 1 1 B 21 21 GLU CB C 64 29.885 29.043 0.842 1
1 72 . 16 1 1 B 21 21 GLU N N 64 120.622 119.548 1.074 1
1 73 . 16 1 1 B 22 22 ARG H H 65 8.179 7.899 0.280 1
1 74 . 16 1 1 B 22 22 ARG CA C 65 56.674 58.464 -1.790 1
1 75 . 16 1 1 B 22 22 ARG CB C 65 30.520 30.171 0.349 1
1 76 . 16 1 1 B 22 22 ARG N N 65 120.784 119.904 0.880 1
1 77 . 16 1 1 B 23 23 LEU H H 66 8.042 8.024 0.018 1
1 78 . 16 1 1 B 23 23 LEU CA C 66 55.297 57.241 -1.944 1
1 79 . 16 1 1 B 23 23 LEU CB C 66 42.087 41.241 0.846 1
1 80 . 16 1 1 B 23 23 LEU N N 66 121.246 121.907 -0.661 1
1 81 . 16 1 1 B 24 24 ARG H H 67 8.073 8.052 0.021 1
1 82 . 16 1 1 B 24 24 ARG CA C 67 56.102 57.641 -1.539 1
1 83 . 16 1 1 B 24 24 ARG CB C 67 30.732 30.583 0.149 1
1 84 . 16 1 1 B 24 24 ARG N N 67 120.656 116.226 4.430 1
1 85 . 16 1 1 B 25 25 ASN H H 68 8.191 7.842 0.349 1
1 86 . 16 1 1 B 25 25 ASN CA C 68 56.384 50.910 5.474 1
1 87 . 16 1 1 B 25 25 ASN CB C 68 41.056 38.251 2.805 1
1 88 . 16 1 1 B 25 25 ASN N N 68 120.784 117.647 3.137 1
1 89 . 16 1 1 B 26 26 PRO CA C 69 62.979 64.948 -1.969 1
1 90 . 16 1 1 B 26 26 PRO CB C 69 32.101 31.630 0.471 1
1 91 . 16 1 1 B 27 27 LYS H H 70 8.322 7.937 0.385 1
1 92 . 16 1 1 B 27 27 LYS CA C 70 53.847 56.547 -2.700 1
1 93 . 16 1 1 B 27 27 LYS CB C 70 32.330 31.056 1.274 1
1 94 . 16 1 1 B 27 27 LYS N N 70 122.519 115.944 6.575 1
1 95 . 16 1 1 B 28 28 PRO CA C 71 62.803 62.658 0.145 1
1 96 . 16 1 1 B 28 28 PRO CB C 71 32.090 32.000 0.090 1
1 97 . 16 1 1 B 29 29 VAL H H 72 8.250 8.622 -0.372 1
1 98 . 16 1 1 B 29 29 VAL CA C 72 62.281 61.201 1.080 1
1 99 . 16 1 1 B 29 29 VAL CB C 72 32.706 33.193 -0.487 1
1 100 . 16 1 1 B 29 29 VAL N N 72 120.957 123.939 -2.982 1
1 101 . 16 1 1 B 30 30 ARG H H 73 8.386 8.674 -0.288 1
1 102 . 16 1 1 B 30 30 ARG CA C 73 55.613 56.115 -0.502 1
1 103 . 16 1 1 B 30 30 ARG CB C 73 30.903 30.664 0.239 1
1 104 . 16 1 1 B 30 30 ARG N N 73 125.259 128.329 -3.070 1
1 105 . 16 1 1 B 31 31 VAL H H 74 8.338 8.893 -0.555 1
1 106 . 16 1 1 B 31 31 VAL CA C 74 62.185 59.378 2.807 1
1 107 . 16 1 1 B 31 31 VAL CB C 74 32.821 36.065 -3.244 1
1 108 . 16 1 1 B 31 31 VAL N N 74 122.368 120.265 2.103 1
1 109 . 16 1 1 B 32 32 THR H H 75 8.228 8.356 -0.128 1
1 110 . 16 1 1 B 32 32 THR CA C 75 61.337 59.211 2.126 1
1 111 . 16 1 1 B 32 32 THR CB C 75 69.630 71.911 -2.281 1
1 112 . 16 1 1 B 32 32 THR N N 75 118.303 110.555 7.748 1
1 113 . 16 1 1 B 33 33 LEU H H 76 8.361 8.886 -0.525 1
1 114 . 16 1 1 B 33 33 LEU CA C 76 55.083 56.733 -1.650 1
1 115 . 16 1 1 B 33 33 LEU CB C 76 42.167 41.671 0.496 1
1 116 . 16 1 1 B 33 33 LEU N N 76 124.501 122.086 2.415 1
1 117 . 16 1 1 B 34 34 ASP H H 77 8.252 8.184 0.068 1
1 118 . 16 1 1 B 34 34 ASP CA C 77 54.463 57.940 -3.477 1
1 119 . 16 1 1 B 34 34 ASP CB C 77 41.065 41.021 0.044 1
1 120 . 16 1 1 B 34 34 ASP N N 77 120.225 119.961 0.264 1
1 121 . 16 1 1 B 35 35 GLU H H 78 8.180 8.148 0.032 1
1 122 . 16 1 1 B 35 35 GLU CA C 78 56.262 57.765 -1.503 1
1 123 . 16 1 1 B 35 35 GLU CB C 78 30.411 29.739 0.672 1
1 124 . 16 1 1 B 35 35 GLU N N 78 120.656 116.313 4.343 1
1 5 . 17 1 1 B 5 5 GLN H H 48 8.508 7.749 0.759 1
1 6 . 17 1 1 B 5 5 GLN CA C 48 55.746 55.972 -0.226 1
1 7 . 17 1 1 B 5 5 GLN CB C 48 29.540 29.538 0.002 1
1 8 . 17 1 1 B 5 5 GLN N N 48 121.949 117.573 4.376 1
1 9 . 17 1 1 B 6 6 THR H H 49 8.245 7.717 0.528 1
1 10 . 17 1 1 B 6 6 THR CA C 49 61.784 60.087 1.697 1
1 11 . 17 1 1 B 6 6 THR CB C 49 69.534 71.374 -1.840 1
1 12 . 17 1 1 B 6 6 THR N N 49 116.347 110.743 5.604 1
1 13 . 17 1 1 B 7 7 LEU H H 50 8.322 8.754 -0.432 1
1 14 . 17 1 1 B 7 7 LEU CA C 50 54.935 56.501 -1.566 1
1 15 . 17 1 1 B 7 7 LEU CB C 50 42.296 42.604 -0.308 1
1 16 . 17 1 1 B 7 7 LEU N N 50 124.968 122.485 2.483 1
1 17 . 17 1 1 B 8 8 LEU H H 51 8.306 7.507 0.799 1
1 18 . 17 1 1 B 8 8 LEU CA C 51 54.908 53.888 1.020 1
1 19 . 17 1 1 B 8 8 LEU CB C 51 42.296 43.251 -0.955 1
1 20 . 17 1 1 B 8 8 LEU N N 51 123.239 117.343 5.896 1
1 21 . 17 1 1 B 9 9 SER H H 52 8.375 9.064 -0.689 1
1 22 . 17 1 1 B 9 9 SER CA C 52 57.866 55.688 2.178 1
1 23 . 17 1 1 B 9 9 SER CB C 52 63.889 65.651 -1.762 1
1 24 . 17 1 1 B 9 9 SER N N 52 116.347 117.467 -1.120 1
1 25 . 17 1 1 B 10 10 ASP H H 53 8.434 8.846 -0.412 1
1 26 . 17 1 1 B 10 10 ASP CA C 53 54.825 56.116 -1.291 1
1 27 . 17 1 1 B 10 10 ASP CB C 53 40.825 40.700 0.125 1
1 28 . 17 1 1 B 10 10 ASP N N 53 122.469 123.828 -1.359 1
1 29 . 17 1 1 B 11 11 GLU H H 54 8.384 8.654 -0.270 1
1 30 . 17 1 1 B 11 11 GLU CA C 54 57.149 59.469 -2.320 1
1 31 . 17 1 1 B 11 11 GLU CB C 54 30.127 28.981 1.146 1
1 32 . 17 1 1 B 11 11 GLU N N 54 120.496 118.429 2.067 1
1 33 . 17 1 1 B 12 12 ASP H H 55 8.222 7.942 0.280 1
1 34 . 17 1 1 B 12 12 ASP CA C 55 54.679 56.712 -2.033 1
1 35 . 17 1 1 B 12 12 ASP CB C 55 41.028 40.712 0.316 1
1 36 . 17 1 1 B 12 12 ASP N N 55 121.015 120.350 0.665 1
1 37 . 17 1 1 B 13 13 ALA H H 56 8.137 8.106 0.031 1
1 38 . 17 1 1 B 13 13 ALA CA C 56 53.158 54.866 -1.708 1
1 39 . 17 1 1 B 13 13 ALA CB C 56 19.134 18.143 0.991 1
1 40 . 17 1 1 B 13 13 ALA N N 56 124.104 122.489 1.615 1
1 41 . 17 1 1 B 14 14 GLU H H 57 8.275 7.421 0.854 1
1 42 . 17 1 1 B 14 14 GLU CA C 57 56.973 58.510 -1.537 1
1 43 . 17 1 1 B 14 14 GLU CB C 57 29.882 29.547 0.335 1
1 44 . 17 1 1 B 14 14 GLU N N 57 118.808 118.354 0.454 1
1 45 . 17 1 1 B 15 15 LEU H H 58 8.025 8.021 0.004 1
1 46 . 17 1 1 B 15 15 LEU CA C 58 55.578 58.112 -2.534 1
1 47 . 17 1 1 B 15 15 LEU CB C 58 41.884 41.487 0.397 1
1 48 . 17 1 1 B 15 15 LEU N N 58 122.227 120.283 1.944 1
1 49 . 17 1 1 B 16 16 VAL H H 59 7.949 7.716 0.233 1
1 50 . 17 1 1 B 16 16 VAL CA C 59 63.178 65.567 -2.389 1
1 51 . 17 1 1 B 16 16 VAL CB C 59 32.422 31.437 0.985 1
1 52 . 17 1 1 B 16 16 VAL N N 59 120.225 115.375 4.850 1
1 53 . 17 1 1 B 17 17 GLU H H 60 8.259 8.435 -0.176 1
1 54 . 17 1 1 B 17 17 GLU CA C 60 56.876 58.786 -1.910 1
1 55 . 17 1 1 B 17 17 GLU CB C 60 29.896 29.135 0.761 1
1 56 . 17 1 1 B 17 17 GLU N N 60 122.595 120.265 2.330 1
1 57 . 17 1 1 B 18 18 ILE H H 61 8.066 7.806 0.260 1
1 58 . 17 1 1 B 18 18 ILE CA C 61 61.857 64.469 -2.612 1
1 59 . 17 1 1 B 18 18 ILE CB C 61 38.266 37.229 1.037 1
1 60 . 17 1 1 B 18 18 ILE N N 61 122.128 121.545 0.583 1
1 61 . 17 1 1 B 19 19 VAL H H 62 8.111 8.062 0.049 1
1 62 . 17 1 1 B 19 19 VAL CA C 62 63.616 65.426 -1.810 1
1 63 . 17 1 1 B 19 19 VAL CB C 62 32.098 31.399 0.699 1
1 64 . 17 1 1 B 19 19 VAL N N 62 123.554 121.352 2.202 1
1 65 . 17 1 1 B 20 20 LYS H H 63 8.235 8.075 0.160 1
1 66 . 17 1 1 B 20 20 LYS CA C 63 57.431 58.862 -1.431 1
1 67 . 17 1 1 B 20 20 LYS CB C 63 32.617 31.799 0.818 1
1 68 . 17 1 1 B 20 20 LYS N N 63 123.314 120.363 2.951 1
1 69 . 17 1 1 B 21 21 GLU H H 64 8.257 7.772 0.485 1
1 70 . 17 1 1 B 21 21 GLU CA C 64 57.310 59.273 -1.963 1
1 71 . 17 1 1 B 21 21 GLU CB C 64 29.885 29.173 0.712 1
1 72 . 17 1 1 B 21 21 GLU N N 64 120.622 119.708 0.914 1
1 73 . 17 1 1 B 22 22 ARG H H 65 8.179 8.072 0.107 1
1 74 . 17 1 1 B 22 22 ARG CA C 65 56.674 58.319 -1.645 1
1 75 . 17 1 1 B 22 22 ARG CB C 65 30.520 30.346 0.174 1
1 76 . 17 1 1 B 22 22 ARG N N 65 120.784 120.067 0.717 1
1 77 . 17 1 1 B 23 23 LEU H H 66 8.042 7.861 0.181 1
1 78 . 17 1 1 B 23 23 LEU CA C 66 55.297 55.545 -0.248 1
1 79 . 17 1 1 B 23 23 LEU CB C 66 42.087 41.767 0.320 1
1 80 . 17 1 1 B 23 23 LEU N N 66 121.246 117.150 4.096 1
1 81 . 17 1 1 B 24 24 ARG H H 67 8.073 8.609 -0.536 1
1 82 . 17 1 1 B 24 24 ARG CA C 67 56.102 58.922 -2.820 1
1 83 . 17 1 1 B 24 24 ARG CB C 67 30.732 30.018 0.714 1
1 84 . 17 1 1 B 24 24 ARG N N 67 120.656 118.565 2.091 1
1 85 . 17 1 1 B 25 25 ASN H H 68 8.191 7.983 0.208 1
1 86 . 17 1 1 B 25 25 ASN CA C 68 56.384 50.490 5.894 1
1 87 . 17 1 1 B 25 25 ASN CB C 68 41.056 38.922 2.134 1
1 88 . 17 1 1 B 25 25 ASN N N 68 120.784 117.440 3.344 1
1 89 . 17 1 1 B 26 26 PRO CA C 69 62.979 65.307 -2.328 1
1 90 . 17 1 1 B 26 26 PRO CB C 69 32.101 31.801 0.300 1
1 91 . 17 1 1 B 27 27 LYS H H 70 8.322 7.953 0.369 1
1 92 . 17 1 1 B 27 27 LYS CA C 70 53.847 56.549 -2.702 1
1 93 . 17 1 1 B 27 27 LYS CB C 70 32.330 30.810 1.520 1
1 94 . 17 1 1 B 27 27 LYS N N 70 122.519 115.723 6.796 1
1 95 . 17 1 1 B 28 28 PRO CA C 71 62.803 62.233 0.570 1
1 96 . 17 1 1 B 28 28 PRO CB C 71 32.090 32.703 -0.613 1
1 97 . 17 1 1 B 29 29 VAL H H 72 8.250 8.497 -0.247 1
1 98 . 17 1 1 B 29 29 VAL CA C 72 62.281 60.480 1.801 1
1 99 . 17 1 1 B 29 29 VAL CB C 72 32.706 34.085 -1.379 1
1 100 . 17 1 1 B 29 29 VAL N N 72 120.957 122.479 -1.522 1
1 101 . 17 1 1 B 30 30 ARG H H 73 8.386 8.633 -0.247 1
1 102 . 17 1 1 B 30 30 ARG CA C 73 55.613 56.206 -0.593 1
1 103 . 17 1 1 B 30 30 ARG CB C 73 30.903 30.538 0.365 1
1 104 . 17 1 1 B 30 30 ARG N N 73 125.259 128.224 -2.965 1
1 105 . 17 1 1 B 31 31 VAL H H 74 8.338 8.873 -0.535 1
1 106 . 17 1 1 B 31 31 VAL CA C 74 62.185 59.122 3.063 1
1 107 . 17 1 1 B 31 31 VAL CB C 74 32.821 36.385 -3.564 1
1 108 . 17 1 1 B 31 31 VAL N N 74 122.368 119.888 2.480 1
1 109 . 17 1 1 B 32 32 THR H H 75 8.228 8.371 -0.143 1
1 110 . 17 1 1 B 32 32 THR CA C 75 61.337 59.228 2.109 1
1 111 . 17 1 1 B 32 32 THR CB C 75 69.630 72.205 -2.575 1
1 112 . 17 1 1 B 32 32 THR N N 75 118.303 110.897 7.406 1
1 113 . 17 1 1 B 33 33 LEU H H 76 8.361 8.970 -0.609 1
1 114 . 17 1 1 B 33 33 LEU CA C 76 55.083 57.573 -2.490 1
1 115 . 17 1 1 B 33 33 LEU CB C 76 42.167 41.557 0.610 1
1 116 . 17 1 1 B 33 33 LEU N N 76 124.501 122.033 2.468 1
1 117 . 17 1 1 B 34 34 ASP H H 77 8.252 8.306 -0.054 1
1 118 . 17 1 1 B 34 34 ASP CA C 77 54.463 57.461 -2.998 1
1 119 . 17 1 1 B 34 34 ASP CB C 77 41.065 41.589 -0.524 1
1 120 . 17 1 1 B 34 34 ASP N N 77 120.225 119.890 0.335 1
1 121 . 17 1 1 B 35 35 GLU H H 78 8.180 8.189 -0.009 1
1 122 . 17 1 1 B 35 35 GLU CA C 78 56.262 57.192 -0.930 1
1 123 . 17 1 1 B 35 35 GLU CB C 78 30.411 29.889 0.522 1
1 124 . 17 1 1 B 35 35 GLU N N 78 120.656 115.774 4.882 1
1 5 . 18 1 1 B 5 5 GLN H H 48 8.508 8.803 -0.295 1
1 6 . 18 1 1 B 5 5 GLN CA C 48 55.746 54.054 1.692 1
1 7 . 18 1 1 B 5 5 GLN CB C 48 29.540 31.770 -2.230 1
1 8 . 18 1 1 B 5 5 GLN N N 48 121.949 124.882 -2.933 1
1 9 . 18 1 1 B 6 6 THR H H 49 8.245 8.782 -0.537 1
1 10 . 18 1 1 B 6 6 THR CA C 49 61.784 60.963 0.821 1
1 11 . 18 1 1 B 6 6 THR CB C 49 69.534 70.329 -0.795 1
1 12 . 18 1 1 B 6 6 THR N N 49 116.347 113.341 3.006 1
1 13 . 18 1 1 B 7 7 LEU H H 50 8.322 8.549 -0.227 1
1 14 . 18 1 1 B 7 7 LEU CA C 50 54.935 54.582 0.353 1
1 15 . 18 1 1 B 7 7 LEU CB C 50 42.296 41.709 0.587 1
1 16 . 18 1 1 B 7 7 LEU N N 50 124.968 119.387 5.581 1
1 17 . 18 1 1 B 8 8 LEU H H 51 8.306 7.559 0.747 1
1 18 . 18 1 1 B 8 8 LEU CA C 51 54.908 53.214 1.694 1
1 19 . 18 1 1 B 8 8 LEU CB C 51 42.296 46.274 -3.978 1
1 20 . 18 1 1 B 8 8 LEU N N 51 123.239 116.665 6.574 1
1 21 . 18 1 1 B 9 9 SER H H 52 8.375 9.569 -1.194 1
1 22 . 18 1 1 B 9 9 SER CA C 52 57.866 59.405 -1.539 1
1 23 . 18 1 1 B 9 9 SER CB C 52 63.889 64.262 -0.373 1
1 24 . 18 1 1 B 9 9 SER N N 52 116.347 114.930 1.417 1
1 25 . 18 1 1 B 10 10 ASP H H 53 8.434 8.123 0.311 1
1 26 . 18 1 1 B 10 10 ASP CA C 53 54.825 54.431 0.394 1
1 27 . 18 1 1 B 10 10 ASP CB C 53 40.825 43.949 -3.124 1
1 28 . 18 1 1 B 10 10 ASP N N 53 122.469 120.072 2.397 1
1 29 . 18 1 1 B 11 11 GLU H H 54 8.384 8.281 0.103 1
1 30 . 18 1 1 B 11 11 GLU CA C 54 57.149 59.449 -2.300 1
1 31 . 18 1 1 B 11 11 GLU CB C 54 30.127 29.154 0.973 1
1 32 . 18 1 1 B 11 11 GLU N N 54 120.496 117.504 2.992 1
1 33 . 18 1 1 B 12 12 ASP H H 55 8.222 8.767 -0.545 1
1 34 . 18 1 1 B 12 12 ASP CA C 55 54.679 56.707 -2.028 1
1 35 . 18 1 1 B 12 12 ASP CB C 55 41.028 39.543 1.485 1
1 36 . 18 1 1 B 12 12 ASP N N 55 121.015 119.686 1.329 1
1 37 . 18 1 1 B 13 13 ALA H H 56 8.137 7.895 0.242 1
1 38 . 18 1 1 B 13 13 ALA CA C 56 53.158 54.351 -1.193 1
1 39 . 18 1 1 B 13 13 ALA CB C 56 19.134 18.158 0.976 1
1 40 . 18 1 1 B 13 13 ALA N N 56 124.104 121.430 2.674 1
1 41 . 18 1 1 B 14 14 GLU H H 57 8.275 7.871 0.404 1
1 42 . 18 1 1 B 14 14 GLU CA C 57 56.973 58.380 -1.407 1
1 43 . 18 1 1 B 14 14 GLU CB C 57 29.882 29.742 0.140 1
1 44 . 18 1 1 B 14 14 GLU N N 57 118.808 118.411 0.397 1
1 45 . 18 1 1 B 15 15 LEU H H 58 8.025 7.816 0.209 1
1 46 . 18 1 1 B 15 15 LEU CA C 58 55.578 58.013 -2.435 1
1 47 . 18 1 1 B 15 15 LEU CB C 58 41.884 41.539 0.345 1
1 48 . 18 1 1 B 15 15 LEU N N 58 122.227 120.156 2.071 1
1 49 . 18 1 1 B 16 16 VAL H H 59 7.949 7.610 0.339 1
1 50 . 18 1 1 B 16 16 VAL CA C 59 63.178 65.359 -2.181 1
1 51 . 18 1 1 B 16 16 VAL CB C 59 32.422 31.442 0.980 1
1 52 . 18 1 1 B 16 16 VAL N N 59 120.225 115.298 4.927 1
1 53 . 18 1 1 B 17 17 GLU H H 60 8.259 8.410 -0.151 1
1 54 . 18 1 1 B 17 17 GLU CA C 60 56.876 59.033 -2.157 1
1 55 . 18 1 1 B 17 17 GLU CB C 60 29.896 29.183 0.713 1
1 56 . 18 1 1 B 17 17 GLU N N 60 122.595 120.425 2.170 1
1 57 . 18 1 1 B 18 18 ILE H H 61 8.066 7.759 0.307 1
1 58 . 18 1 1 B 18 18 ILE CA C 61 61.857 65.096 -3.239 1
1 59 . 18 1 1 B 18 18 ILE CB C 61 38.266 37.639 0.627 1
1 60 . 18 1 1 B 18 18 ILE N N 61 122.128 121.606 0.522 1
1 61 . 18 1 1 B 19 19 VAL H H 62 8.111 8.081 0.030 1
1 62 . 18 1 1 B 19 19 VAL CA C 62 63.616 66.989 -3.373 1
1 63 . 18 1 1 B 19 19 VAL CB C 62 32.098 31.648 0.450 1
1 64 . 18 1 1 B 19 19 VAL N N 62 123.554 119.992 3.562 1
1 65 . 18 1 1 B 20 20 LYS H H 63 8.235 8.243 -0.008 1
1 66 . 18 1 1 B 20 20 LYS CA C 63 57.431 58.670 -1.239 1
1 67 . 18 1 1 B 20 20 LYS CB C 63 32.617 31.809 0.808 1
1 68 . 18 1 1 B 20 20 LYS N N 63 123.314 120.540 2.774 1
1 69 . 18 1 1 B 21 21 GLU H H 64 8.257 7.676 0.581 1
1 70 . 18 1 1 B 21 21 GLU CA C 64 57.310 59.097 -1.787 1
1 71 . 18 1 1 B 21 21 GLU CB C 64 29.885 29.621 0.264 1
1 72 . 18 1 1 B 21 21 GLU N N 64 120.622 119.837 0.785 1
1 73 . 18 1 1 B 22 22 ARG H H 65 8.179 8.185 -0.006 1
1 74 . 18 1 1 B 22 22 ARG CA C 65 56.674 58.861 -2.187 1
1 75 . 18 1 1 B 22 22 ARG CB C 65 30.520 29.965 0.555 1
1 76 . 18 1 1 B 22 22 ARG N N 65 120.784 118.794 1.990 1
1 77 . 18 1 1 B 23 23 LEU H H 66 8.042 8.296 -0.254 1
1 78 . 18 1 1 B 23 23 LEU CA C 66 55.297 57.494 -2.197 1
1 79 . 18 1 1 B 23 23 LEU CB C 66 42.087 41.372 0.715 1
1 80 . 18 1 1 B 23 23 LEU N N 66 121.246 121.717 -0.471 1
1 81 . 18 1 1 B 24 24 ARG H H 67 8.073 8.620 -0.547 1
1 82 . 18 1 1 B 24 24 ARG CA C 67 56.102 58.866 -2.764 1
1 83 . 18 1 1 B 24 24 ARG CB C 67 30.732 29.956 0.776 1
1 84 . 18 1 1 B 24 24 ARG N N 67 120.656 116.808 3.848 1
1 85 . 18 1 1 B 25 25 ASN H H 68 8.191 7.809 0.382 1
1 86 . 18 1 1 B 25 25 ASN CA C 68 56.384 50.462 5.922 1
1 87 . 18 1 1 B 25 25 ASN CB C 68 41.056 38.904 2.152 1
1 88 . 18 1 1 B 25 25 ASN N N 68 120.784 117.617 3.167 1
1 89 . 18 1 1 B 26 26 PRO CA C 69 62.979 64.060 -1.081 1
1 90 . 18 1 1 B 26 26 PRO CB C 69 32.101 31.970 0.131 1
1 91 . 18 1 1 B 27 27 LYS H H 70 8.322 7.919 0.403 1
1 92 . 18 1 1 B 27 27 LYS CA C 70 53.847 56.642 -2.795 1
1 93 . 18 1 1 B 27 27 LYS CB C 70 32.330 30.703 1.627 1
1 94 . 18 1 1 B 27 27 LYS N N 70 122.519 116.348 6.171 1
1 95 . 18 1 1 B 28 28 PRO CA C 71 62.803 62.597 0.206 1
1 96 . 18 1 1 B 28 28 PRO CB C 71 32.090 32.723 -0.633 1
1 97 . 18 1 1 B 29 29 VAL H H 72 8.250 8.474 -0.224 1
1 98 . 18 1 1 B 29 29 VAL CA C 72 62.281 61.044 1.237 1
1 99 . 18 1 1 B 29 29 VAL CB C 72 32.706 34.431 -1.725 1
1 100 . 18 1 1 B 29 29 VAL N N 72 120.957 121.444 -0.487 1
1 101 . 18 1 1 B 30 30 ARG H H 73 8.386 8.693 -0.307 1
1 102 . 18 1 1 B 30 30 ARG CA C 73 55.613 56.684 -1.071 1
1 103 . 18 1 1 B 30 30 ARG CB C 73 30.903 30.702 0.201 1
1 104 . 18 1 1 B 30 30 ARG N N 73 125.259 128.440 -3.181 1
1 105 . 18 1 1 B 31 31 VAL H H 74 8.338 8.849 -0.511 1
1 106 . 18 1 1 B 31 31 VAL CA C 74 62.185 59.430 2.755 1
1 107 . 18 1 1 B 31 31 VAL CB C 74 32.821 36.081 -3.260 1
1 108 . 18 1 1 B 31 31 VAL N N 74 122.368 120.033 2.335 1
1 109 . 18 1 1 B 32 32 THR H H 75 8.228 8.343 -0.115 1
1 110 . 18 1 1 B 32 32 THR CA C 75 61.337 59.124 2.213 1
1 111 . 18 1 1 B 32 32 THR CB C 75 69.630 71.930 -2.300 1
1 112 . 18 1 1 B 32 32 THR N N 75 118.303 110.358 7.945 1
1 113 . 18 1 1 B 33 33 LEU H H 76 8.361 8.896 -0.535 1
1 114 . 18 1 1 B 33 33 LEU CA C 76 55.083 57.470 -2.387 1
1 115 . 18 1 1 B 33 33 LEU CB C 76 42.167 41.432 0.735 1
1 116 . 18 1 1 B 33 33 LEU N N 76 124.501 122.165 2.336 1
1 117 . 18 1 1 B 34 34 ASP H H 77 8.252 8.144 0.108 1
1 118 . 18 1 1 B 34 34 ASP CA C 77 54.463 56.707 -2.244 1
1 119 . 18 1 1 B 34 34 ASP CB C 77 41.065 40.929 0.136 1
1 120 . 18 1 1 B 34 34 ASP N N 77 120.225 119.723 0.502 1
1 121 . 18 1 1 B 35 35 GLU H H 78 8.180 8.158 0.022 1
1 122 . 18 1 1 B 35 35 GLU CA C 78 56.262 56.580 -0.318 1
1 123 . 18 1 1 B 35 35 GLU CB C 78 30.411 29.590 0.821 1
1 124 . 18 1 1 B 35 35 GLU N N 78 120.656 115.528 5.128 1
1 5 . 19 1 1 B 5 5 GLN H H 48 8.508 8.067 0.441 1
1 6 . 19 1 1 B 5 5 GLN CA C 48 55.746 56.106 -0.360 1
1 7 . 19 1 1 B 5 5 GLN CB C 48 29.540 30.788 -1.248 1
1 8 . 19 1 1 B 5 5 GLN N N 48 121.949 116.125 5.824 1
1 9 . 19 1 1 B 6 6 THR H H 49 8.245 7.769 0.476 1
1 10 . 19 1 1 B 6 6 THR CA C 49 61.784 59.406 2.378 1
1 11 . 19 1 1 B 6 6 THR CB C 49 69.534 71.999 -2.465 1
1 12 . 19 1 1 B 6 6 THR N N 49 116.347 110.815 5.532 1
1 13 . 19 1 1 B 7 7 LEU H H 50 8.322 8.487 -0.165 1
1 14 . 19 1 1 B 7 7 LEU CA C 50 54.935 57.428 -2.493 1
1 15 . 19 1 1 B 7 7 LEU CB C 50 42.296 42.179 0.117 1
1 16 . 19 1 1 B 7 7 LEU N N 50 124.968 122.031 2.937 1
1 17 . 19 1 1 B 8 8 LEU H H 51 8.306 7.615 0.691 1
1 18 . 19 1 1 B 8 8 LEU CA C 51 54.908 52.971 1.937 1
1 19 . 19 1 1 B 8 8 LEU CB C 51 42.296 43.812 -1.516 1
1 20 . 19 1 1 B 8 8 LEU N N 51 123.239 117.826 5.413 1
1 21 . 19 1 1 B 9 9 SER H H 52 8.375 8.549 -0.174 1
1 22 . 19 1 1 B 9 9 SER CA C 52 57.866 59.511 -1.645 1
1 23 . 19 1 1 B 9 9 SER CB C 52 63.889 64.933 -1.044 1
1 24 . 19 1 1 B 9 9 SER N N 52 116.347 116.257 0.090 1
1 25 . 19 1 1 B 10 10 ASP H H 53 8.434 8.386 0.048 1
1 26 . 19 1 1 B 10 10 ASP CA C 53 54.825 55.455 -0.630 1
1 27 . 19 1 1 B 10 10 ASP CB C 53 40.825 42.574 -1.749 1
1 28 . 19 1 1 B 10 10 ASP N N 53 122.469 121.063 1.406 1
1 29 . 19 1 1 B 11 11 GLU H H 54 8.384 8.441 -0.057 1
1 30 . 19 1 1 B 11 11 GLU CA C 54 57.149 58.190 -1.041 1
1 31 . 19 1 1 B 11 11 GLU CB C 54 30.127 28.381 1.746 1
1 32 . 19 1 1 B 11 11 GLU N N 54 120.496 117.501 2.995 1
1 33 . 19 1 1 B 12 12 ASP H H 55 8.222 8.189 0.033 1
1 34 . 19 1 1 B 12 12 ASP CA C 55 54.679 56.740 -2.061 1
1 35 . 19 1 1 B 12 12 ASP CB C 55 41.028 41.175 -0.147 1
1 36 . 19 1 1 B 12 12 ASP N N 55 121.015 120.064 0.951 1
1 37 . 19 1 1 B 13 13 ALA H H 56 8.137 8.304 -0.167 1
1 38 . 19 1 1 B 13 13 ALA CA C 56 53.158 54.758 -1.600 1
1 39 . 19 1 1 B 13 13 ALA CB C 56 19.134 18.459 0.675 1
1 40 . 19 1 1 B 13 13 ALA N N 56 124.104 121.771 2.333 1
1 41 . 19 1 1 B 14 14 GLU H H 57 8.275 7.352 0.923 1
1 42 . 19 1 1 B 14 14 GLU CA C 57 56.973 58.520 -1.547 1
1 43 . 19 1 1 B 14 14 GLU CB C 57 29.882 29.323 0.559 1
1 44 . 19 1 1 B 14 14 GLU N N 57 118.808 118.938 -0.130 1
1 45 . 19 1 1 B 15 15 LEU H H 58 8.025 7.646 0.379 1
1 46 . 19 1 1 B 15 15 LEU CA C 58 55.578 56.456 -0.878 1
1 47 . 19 1 1 B 15 15 LEU CB C 58 41.884 42.079 -0.195 1
1 48 . 19 1 1 B 15 15 LEU N N 58 122.227 119.131 3.096 1
1 49 . 19 1 1 B 16 16 VAL H H 59 7.949 7.691 0.258 1
1 50 . 19 1 1 B 16 16 VAL CA C 59 63.178 65.320 -2.142 1
1 51 . 19 1 1 B 16 16 VAL CB C 59 32.422 31.229 1.193 1
1 52 . 19 1 1 B 16 16 VAL N N 59 120.225 116.072 4.153 1
1 53 . 19 1 1 B 17 17 GLU H H 60 8.259 8.228 0.031 1
1 54 . 19 1 1 B 17 17 GLU CA C 60 56.876 58.915 -2.039 1
1 55 . 19 1 1 B 17 17 GLU CB C 60 29.896 29.577 0.319 1
1 56 . 19 1 1 B 17 17 GLU N N 60 122.595 120.216 2.379 1
1 57 . 19 1 1 B 18 18 ILE H H 61 8.066 7.520 0.546 1
1 58 . 19 1 1 B 18 18 ILE CA C 61 61.857 65.001 -3.144 1
1 59 . 19 1 1 B 18 18 ILE CB C 61 38.266 37.595 0.671 1
1 60 . 19 1 1 B 18 18 ILE N N 61 122.128 121.471 0.657 1
1 61 . 19 1 1 B 19 19 VAL H H 62 8.111 8.183 -0.072 1
1 62 . 19 1 1 B 19 19 VAL CA C 62 63.616 65.527 -1.911 1
1 63 . 19 1 1 B 19 19 VAL CB C 62 32.098 31.401 0.697 1
1 64 . 19 1 1 B 19 19 VAL N N 62 123.554 120.964 2.590 1
1 65 . 19 1 1 B 20 20 LYS H H 63 8.235 7.870 0.365 1
1 66 . 19 1 1 B 20 20 LYS CA C 63 57.431 58.864 -1.433 1
1 67 . 19 1 1 B 20 20 LYS CB C 63 32.617 31.909 0.708 1
1 68 . 19 1 1 B 20 20 LYS N N 63 123.314 120.371 2.943 1
1 69 . 19 1 1 B 21 21 GLU H H 64 8.257 7.707 0.550 1
1 70 . 19 1 1 B 21 21 GLU CA C 64 57.310 59.207 -1.897 1
1 71 . 19 1 1 B 21 21 GLU CB C 64 29.885 29.299 0.586 1
1 72 . 19 1 1 B 21 21 GLU N N 64 120.622 119.507 1.115 1
1 73 . 19 1 1 B 22 22 ARG H H 65 8.179 7.965 0.214 1
1 74 . 19 1 1 B 22 22 ARG CA C 65 56.674 58.422 -1.748 1
1 75 . 19 1 1 B 22 22 ARG CB C 65 30.520 30.314 0.206 1
1 76 . 19 1 1 B 22 22 ARG N N 65 120.784 119.287 1.497 1
1 77 . 19 1 1 B 23 23 LEU H H 66 8.042 8.107 -0.065 1
1 78 . 19 1 1 B 23 23 LEU CA C 66 55.297 56.948 -1.651 1
1 79 . 19 1 1 B 23 23 LEU CB C 66 42.087 41.265 0.822 1
1 80 . 19 1 1 B 23 23 LEU N N 66 121.246 121.962 -0.716 1
1 81 . 19 1 1 B 24 24 ARG H H 67 8.073 8.708 -0.635 1
1 82 . 19 1 1 B 24 24 ARG CA C 67 56.102 58.866 -2.764 1
1 83 . 19 1 1 B 24 24 ARG CB C 67 30.732 30.005 0.727 1
1 84 . 19 1 1 B 24 24 ARG N N 67 120.656 116.110 4.546 1
1 85 . 19 1 1 B 25 25 ASN H H 68 8.191 7.447 0.744 1
1 86 . 19 1 1 B 25 25 ASN CA C 68 56.384 51.135 5.249 1
1 87 . 19 1 1 B 25 25 ASN CB C 68 41.056 38.743 2.313 1
1 88 . 19 1 1 B 25 25 ASN N N 68 120.784 117.575 3.209 1
1 89 . 19 1 1 B 26 26 PRO CA C 69 62.979 64.686 -1.707 1
1 90 . 19 1 1 B 26 26 PRO CB C 69 32.101 32.079 0.022 1
1 91 . 19 1 1 B 27 27 LYS H H 70 8.322 7.953 0.369 1
1 92 . 19 1 1 B 27 27 LYS CA C 70 53.847 56.542 -2.695 1
1 93 . 19 1 1 B 27 27 LYS CB C 70 32.330 31.036 1.294 1
1 94 . 19 1 1 B 27 27 LYS N N 70 122.519 115.891 6.628 1
1 95 . 19 1 1 B 28 28 PRO CA C 71 62.803 62.613 0.190 1
1 96 . 19 1 1 B 28 28 PRO CB C 71 32.090 32.188 -0.098 1
1 97 . 19 1 1 B 29 29 VAL H H 72 8.250 8.574 -0.324 1
1 98 . 19 1 1 B 29 29 VAL CA C 72 62.281 61.423 0.858 1
1 99 . 19 1 1 B 29 29 VAL CB C 72 32.706 32.619 0.087 1
1 100 . 19 1 1 B 29 29 VAL N N 72 120.957 124.108 -3.151 1
1 101 . 19 1 1 B 30 30 ARG H H 73 8.386 8.703 -0.317 1
1 102 . 19 1 1 B 30 30 ARG CA C 73 55.613 56.239 -0.626 1
1 103 . 19 1 1 B 30 30 ARG CB C 73 30.903 30.545 0.358 1
1 104 . 19 1 1 B 30 30 ARG N N 73 125.259 128.046 -2.787 1
1 105 . 19 1 1 B 31 31 VAL H H 74 8.338 8.849 -0.511 1
1 106 . 19 1 1 B 31 31 VAL CA C 74 62.185 59.111 3.074 1
1 107 . 19 1 1 B 31 31 VAL CB C 74 32.821 36.416 -3.595 1
1 108 . 19 1 1 B 31 31 VAL N N 74 122.368 119.872 2.496 1
1 109 . 19 1 1 B 32 32 THR H H 75 8.228 8.344 -0.116 1
1 110 . 19 1 1 B 32 32 THR CA C 75 61.337 59.223 2.114 1
1 111 . 19 1 1 B 32 32 THR CB C 75 69.630 71.962 -2.332 1
1 112 . 19 1 1 B 32 32 THR N N 75 118.303 111.229 7.074 1
1 113 . 19 1 1 B 33 33 LEU H H 76 8.361 9.019 -0.658 1
1 114 . 19 1 1 B 33 33 LEU CA C 76 55.083 57.733 -2.650 1
1 115 . 19 1 1 B 33 33 LEU CB C 76 42.167 41.563 0.604 1
1 116 . 19 1 1 B 33 33 LEU N N 76 124.501 122.125 2.376 1
1 117 . 19 1 1 B 34 34 ASP H H 77 8.252 8.342 -0.090 1
1 118 . 19 1 1 B 34 34 ASP CA C 77 54.463 58.106 -3.643 1
1 119 . 19 1 1 B 34 34 ASP CB C 77 41.065 41.777 -0.712 1
1 120 . 19 1 1 B 34 34 ASP N N 77 120.225 119.944 0.281 1
1 121 . 19 1 1 B 35 35 GLU H H 78 8.180 7.836 0.344 1
1 122 . 19 1 1 B 35 35 GLU CA C 78 56.262 57.633 -1.371 1
1 123 . 19 1 1 B 35 35 GLU CB C 78 30.411 29.788 0.623 1
1 124 . 19 1 1 B 35 35 GLU N N 78 120.656 115.990 4.666 1
1 5 . 20 1 1 B 5 5 GLN H H 48 8.508 8.505 0.003 1
1 6 . 20 1 1 B 5 5 GLN CA C 48 55.746 55.740 0.006 1
1 7 . 20 1 1 B 5 5 GLN CB C 48 29.540 27.502 2.038 1
1 8 . 20 1 1 B 5 5 GLN N N 48 121.949 120.265 1.684 1
1 9 . 20 1 1 B 6 6 THR H H 49 8.245 8.266 -0.021 1
1 10 . 20 1 1 B 6 6 THR CA C 49 61.784 59.389 2.395 1
1 11 . 20 1 1 B 6 6 THR CB C 49 69.534 71.140 -1.606 1
1 12 . 20 1 1 B 6 6 THR N N 49 116.347 112.809 3.538 1
1 13 . 20 1 1 B 7 7 LEU H H 50 8.322 8.527 -0.205 1
1 14 . 20 1 1 B 7 7 LEU CA C 50 54.935 54.518 0.417 1
1 15 . 20 1 1 B 7 7 LEU CB C 50 42.296 39.708 2.588 1
1 16 . 20 1 1 B 7 7 LEU N N 50 124.968 124.699 0.269 1
1 17 . 20 1 1 B 8 8 LEU H H 51 8.306 8.112 0.194 1
1 18 . 20 1 1 B 8 8 LEU CA C 51 54.908 53.794 1.114 1
1 19 . 20 1 1 B 8 8 LEU CB C 51 42.296 45.466 -3.170 1
1 20 . 20 1 1 B 8 8 LEU N N 51 123.239 117.628 5.611 1
1 21 . 20 1 1 B 9 9 SER H H 52 8.375 9.212 -0.837 1
1 22 . 20 1 1 B 9 9 SER CA C 52 57.866 55.990 1.876 1
1 23 . 20 1 1 B 9 9 SER CB C 52 63.889 65.225 -1.336 1
1 24 . 20 1 1 B 9 9 SER N N 52 116.347 114.568 1.779 1
1 25 . 20 1 1 B 10 10 ASP H H 53 8.434 8.966 -0.532 1
1 26 . 20 1 1 B 10 10 ASP CA C 53 54.825 55.650 -0.825 1
1 27 . 20 1 1 B 10 10 ASP CB C 53 40.825 40.517 0.308 1
1 28 . 20 1 1 B 10 10 ASP N N 53 122.469 123.167 -0.698 1
1 29 . 20 1 1 B 11 11 GLU H H 54 8.384 8.756 -0.372 1
1 30 . 20 1 1 B 11 11 GLU CA C 54 57.149 59.356 -2.207 1
1 31 . 20 1 1 B 11 11 GLU CB C 54 30.127 29.021 1.106 1
1 32 . 20 1 1 B 11 11 GLU N N 54 120.496 118.542 1.954 1
1 33 . 20 1 1 B 12 12 ASP H H 55 8.222 7.852 0.370 1
1 34 . 20 1 1 B 12 12 ASP CA C 55 54.679 57.214 -2.535 1
1 35 . 20 1 1 B 12 12 ASP CB C 55 41.028 40.178 0.850 1
1 36 . 20 1 1 B 12 12 ASP N N 55 121.015 120.418 0.597 1
1 37 . 20 1 1 B 13 13 ALA H H 56 8.137 8.248 -0.111 1
1 38 . 20 1 1 B 13 13 ALA CA C 56 53.158 55.100 -1.942 1
1 39 . 20 1 1 B 13 13 ALA CB C 56 19.134 18.124 1.010 1
1 40 . 20 1 1 B 13 13 ALA N N 56 124.104 122.720 1.384 1
1 41 . 20 1 1 B 14 14 GLU H H 57 8.275 7.627 0.648 1
1 42 . 20 1 1 B 14 14 GLU CA C 57 56.973 59.789 -2.816 1
1 43 . 20 1 1 B 14 14 GLU CB C 57 29.882 30.292 -0.410 1
1 44 . 20 1 1 B 14 14 GLU N N 57 118.808 118.187 0.621 1
1 45 . 20 1 1 B 15 15 LEU H H 58 8.025 7.904 0.121 1
1 46 . 20 1 1 B 15 15 LEU CA C 58 55.578 57.925 -2.347 1
1 47 . 20 1 1 B 15 15 LEU CB C 58 41.884 41.748 0.136 1
1 48 . 20 1 1 B 15 15 LEU N N 58 122.227 120.274 1.953 1
1 49 . 20 1 1 B 16 16 VAL H H 59 7.949 7.866 0.083 1
1 50 . 20 1 1 B 16 16 VAL CA C 59 63.178 65.578 -2.400 1
1 51 . 20 1 1 B 16 16 VAL CB C 59 32.422 31.425 0.997 1
1 52 . 20 1 1 B 16 16 VAL N N 59 120.225 115.086 5.139 1
1 53 . 20 1 1 B 17 17 GLU H H 60 8.259 8.407 -0.148 1
1 54 . 20 1 1 B 17 17 GLU CA C 60 56.876 58.632 -1.756 1
1 55 . 20 1 1 B 17 17 GLU CB C 60 29.896 29.451 0.445 1
1 56 . 20 1 1 B 17 17 GLU N N 60 122.595 120.126 2.469 1
1 57 . 20 1 1 B 18 18 ILE H H 61 8.066 7.483 0.583 1
1 58 . 20 1 1 B 18 18 ILE CA C 61 61.857 64.263 -2.406 1
1 59 . 20 1 1 B 18 18 ILE CB C 61 38.266 37.659 0.607 1
1 60 . 20 1 1 B 18 18 ILE N N 61 122.128 121.432 0.696 1
1 61 . 20 1 1 B 19 19 VAL H H 62 8.111 8.152 -0.041 1
1 62 . 20 1 1 B 19 19 VAL CA C 62 63.616 65.511 -1.895 1
1 63 . 20 1 1 B 19 19 VAL CB C 62 32.098 31.404 0.694 1
1 64 . 20 1 1 B 19 19 VAL N N 62 123.554 121.230 2.324 1
1 65 . 20 1 1 B 20 20 LYS H H 63 8.235 7.964 0.271 1
1 66 . 20 1 1 B 20 20 LYS CA C 63 57.431 58.813 -1.382 1
1 67 . 20 1 1 B 20 20 LYS CB C 63 32.617 31.905 0.712 1
1 68 . 20 1 1 B 20 20 LYS N N 63 123.314 120.640 2.674 1
1 69 . 20 1 1 B 21 21 GLU H H 64 8.257 8.016 0.241 1
1 70 . 20 1 1 B 21 21 GLU CA C 64 57.310 59.247 -1.937 1
1 71 . 20 1 1 B 21 21 GLU CB C 64 29.885 29.349 0.536 1
1 72 . 20 1 1 B 21 21 GLU N N 64 120.622 119.898 0.724 1
1 73 . 20 1 1 B 22 22 ARG H H 65 8.179 7.845 0.334 1
1 74 . 20 1 1 B 22 22 ARG CA C 65 56.674 58.469 -1.795 1
1 75 . 20 1 1 B 22 22 ARG CB C 65 30.520 30.256 0.264 1
1 76 . 20 1 1 B 22 22 ARG N N 65 120.784 120.076 0.708 1
1 77 . 20 1 1 B 23 23 LEU H H 66 8.042 7.905 0.137 1
1 78 . 20 1 1 B 23 23 LEU CA C 66 55.297 56.571 -1.274 1
1 79 . 20 1 1 B 23 23 LEU CB C 66 42.087 42.203 -0.116 1
1 80 . 20 1 1 B 23 23 LEU N N 66 121.246 121.719 -0.473 1
1 81 . 20 1 1 B 24 24 ARG H H 67 8.073 8.325 -0.252 1
1 82 . 20 1 1 B 24 24 ARG CA C 67 56.102 57.810 -1.708 1
1 83 . 20 1 1 B 24 24 ARG CB C 67 30.732 29.482 1.250 1
1 84 . 20 1 1 B 24 24 ARG N N 67 120.656 116.527 4.129 1
1 85 . 20 1 1 B 25 25 ASN H H 68 8.191 7.422 0.769 1
1 86 . 20 1 1 B 25 25 ASN CA C 68 56.384 51.311 5.073 1
1 87 . 20 1 1 B 25 25 ASN CB C 68 41.056 39.061 1.995 1
1 88 . 20 1 1 B 25 25 ASN N N 68 120.784 116.986 3.798 1
1 89 . 20 1 1 B 26 26 PRO CA C 69 62.979 64.888 -1.909 1
1 90 . 20 1 1 B 26 26 PRO CB C 69 32.101 32.059 0.042 1
1 91 . 20 1 1 B 27 27 LYS H H 70 8.322 7.980 0.342 1
1 92 . 20 1 1 B 27 27 LYS CA C 70 53.847 56.547 -2.700 1
1 93 . 20 1 1 B 27 27 LYS CB C 70 32.330 31.017 1.313 1
1 94 . 20 1 1 B 27 27 LYS N N 70 122.519 115.841 6.678 1
1 95 . 20 1 1 B 28 28 PRO CA C 71 62.803 62.346 0.457 1
1 96 . 20 1 1 B 28 28 PRO CB C 71 32.090 32.653 -0.563 1
1 97 . 20 1 1 B 29 29 VAL H H 72 8.250 8.455 -0.205 1
1 98 . 20 1 1 B 29 29 VAL CA C 72 62.281 60.775 1.506 1
1 99 . 20 1 1 B 29 29 VAL CB C 72 32.706 34.686 -1.980 1
1 100 . 20 1 1 B 29 29 VAL N N 72 120.957 120.741 0.216 1
1 101 . 20 1 1 B 30 30 ARG H H 73 8.386 8.664 -0.278 1
1 102 . 20 1 1 B 30 30 ARG CA C 73 55.613 56.204 -0.591 1
1 103 . 20 1 1 B 30 30 ARG CB C 73 30.903 30.725 0.178 1
1 104 . 20 1 1 B 30 30 ARG N N 73 125.259 127.541 -2.282 1
1 105 . 20 1 1 B 31 31 VAL H H 74 8.338 8.823 -0.485 1
1 106 . 20 1 1 B 31 31 VAL CA C 74 62.185 59.032 3.153 1
1 107 . 20 1 1 B 31 31 VAL CB C 74 32.821 36.430 -3.609 1
1 108 . 20 1 1 B 31 31 VAL N N 74 122.368 118.294 4.074 1
1 109 . 20 1 1 B 32 32 THR H H 75 8.228 8.345 -0.117 1
1 110 . 20 1 1 B 32 32 THR CA C 75 61.337 59.112 2.225 1
1 111 . 20 1 1 B 32 32 THR CB C 75 69.630 71.986 -2.356 1
1 112 . 20 1 1 B 32 32 THR N N 75 118.303 111.281 7.022 1
1 113 . 20 1 1 B 33 33 LEU H H 76 8.361 8.951 -0.590 1
1 114 . 20 1 1 B 33 33 LEU CA C 76 55.083 57.874 -2.791 1
1 115 . 20 1 1 B 33 33 LEU CB C 76 42.167 41.471 0.696 1
1 116 . 20 1 1 B 33 33 LEU N N 76 124.501 122.603 1.898 1
1 117 . 20 1 1 B 34 34 ASP H H 77 8.252 8.062 0.190 1
1 118 . 20 1 1 B 34 34 ASP CA C 77 54.463 56.881 -2.418 1
1 119 . 20 1 1 B 34 34 ASP CB C 77 41.065 41.153 -0.088 1
1 120 . 20 1 1 B 34 34 ASP N N 77 120.225 119.608 0.617 1
1 121 . 20 1 1 B 35 35 GLU H H 78 8.180 8.204 -0.024 1
1 122 . 20 1 1 B 35 35 GLU CA C 78 56.262 56.740 -0.478 1
1 123 . 20 1 1 B 35 35 GLU CB C 78 30.411 29.642 0.769 1
1 124 . 20 1 1 B 35 35 GLU N N 78 120.656 115.520 5.136 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 31 2.163 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.263 1
4 1 1 1 "RMS(OBS, PRED)" H 29 0.405 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 29 3.180 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 31 2.326 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.220 1
10 1 2 1 "RMS(OBS, PRED)" H 29 0.379 1
11 1 2 1 "RMS(OBS, PRED)" HA 0 0.000 1
12 1 2 1 "RMS(OBS, PRED)" N 29 3.190 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 31 2.304 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.431 1
16 1 3 1 "RMS(OBS, PRED)" H 29 0.384 1
17 1 3 1 "RMS(OBS, PRED)" HA 0 0.000 1
18 1 3 1 "RMS(OBS, PRED)" N 29 3.579 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 31 1.987 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.196 1
22 1 4 1 "RMS(OBS, PRED)" H 29 0.432 1
23 1 4 1 "RMS(OBS, PRED)" HA 0 0.000 1
24 1 4 1 "RMS(OBS, PRED)" N 29 3.313 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 31 2.231 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.293 1
28 1 5 1 "RMS(OBS, PRED)" H 29 0.416 1
29 1 5 1 "RMS(OBS, PRED)" HA 0 0.000 1
30 1 5 1 "RMS(OBS, PRED)" N 29 3.310 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 31 2.083 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.340 1
34 1 6 1 "RMS(OBS, PRED)" H 29 0.423 1
35 1 6 1 "RMS(OBS, PRED)" HA 0 0.000 1
36 1 6 1 "RMS(OBS, PRED)" N 29 3.237 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 31 2.171 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.224 1
40 1 7 1 "RMS(OBS, PRED)" H 29 0.369 1
41 1 7 1 "RMS(OBS, PRED)" HA 0 0.000 1
42 1 7 1 "RMS(OBS, PRED)" N 29 3.310 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 31 2.293 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.603 1
46 1 8 1 "RMS(OBS, PRED)" H 29 0.393 1
47 1 8 1 "RMS(OBS, PRED)" HA 0 0.000 1
48 1 8 1 "RMS(OBS, PRED)" N 29 3.035 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 31 2.346 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.283 1
52 1 9 1 "RMS(OBS, PRED)" H 29 0.401 1
53 1 9 1 "RMS(OBS, PRED)" HA 0 0.000 1
54 1 9 1 "RMS(OBS, PRED)" N 29 3.457 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 31 2.212 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.204 1
58 1 10 1 "RMS(OBS, PRED)" H 29 0.475 1
59 1 10 1 "RMS(OBS, PRED)" HA 0 0.000 1
60 1 10 1 "RMS(OBS, PRED)" N 29 3.236 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 31 2.314 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.297 1
64 1 11 1 "RMS(OBS, PRED)" H 29 0.405 1
65 1 11 1 "RMS(OBS, PRED)" HA 0 0.000 1
66 1 11 1 "RMS(OBS, PRED)" N 29 3.342 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 31 2.230 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.337 1
70 1 12 1 "RMS(OBS, PRED)" H 29 0.424 1
71 1 12 1 "RMS(OBS, PRED)" HA 0 0.000 1
72 1 12 1 "RMS(OBS, PRED)" N 29 3.079 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 31 2.159 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.363 1
76 1 13 1 "RMS(OBS, PRED)" H 29 0.382 1
77 1 13 1 "RMS(OBS, PRED)" HA 0 0.000 1
78 1 13 1 "RMS(OBS, PRED)" N 29 3.445 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 31 2.267 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.405 1
82 1 14 1 "RMS(OBS, PRED)" H 29 0.359 1
83 1 14 1 "RMS(OBS, PRED)" HA 0 0.000 1
84 1 14 1 "RMS(OBS, PRED)" N 29 3.378 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 31 2.190 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.309 1
88 1 15 1 "RMS(OBS, PRED)" H 29 0.460 1
89 1 15 1 "RMS(OBS, PRED)" HA 0 0.000 1
90 1 15 1 "RMS(OBS, PRED)" N 29 3.413 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 31 2.233 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.352 1
94 1 16 1 "RMS(OBS, PRED)" H 29 0.381 1
95 1 16 1 "RMS(OBS, PRED)" HA 0 0.000 1
96 1 16 1 "RMS(OBS, PRED)" N 29 3.482 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 31 2.246 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.221 1
100 1 17 1 "RMS(OBS, PRED)" H 29 0.420 1
101 1 17 1 "RMS(OBS, PRED)" HA 0 0.000 1
102 1 17 1 "RMS(OBS, PRED)" N 29 3.437 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 31 2.245 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.505 1
106 1 18 1 "RMS(OBS, PRED)" H 29 0.424 1
107 1 18 1 "RMS(OBS, PRED)" HA 0 0.000 1
108 1 18 1 "RMS(OBS, PRED)" N 29 3.537 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 31 2.208 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.282 1
112 1 19 1 "RMS(OBS, PRED)" H 29 0.421 1
113 1 19 1 "RMS(OBS, PRED)" HA 0 0.000 1
114 1 19 1 "RMS(OBS, PRED)" N 29 3.528 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 31 2.158 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.445 1
118 1 20 1 "RMS(OBS, PRED)" H 29 0.375 1
119 1 20 1 "RMS(OBS, PRED)" HA 0 0.000 1
120 1 20 1 "RMS(OBS, PRED)" N 29 3.192 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 5 . 1 1 B 5 5 GLN H H 48 8.508 8.260 0.248 2
1 6 . 1 1 B 5 5 GLN CA C 48 55.746 55.723 0.023 2
1 7 . 1 1 B 5 5 GLN CB C 48 29.540 29.817 -0.276 2
1 8 . 1 1 B 5 5 GLN N N 48 121.949 119.741 2.208 2
1 9 . 1 1 B 6 6 THR H H 49 8.245 8.288 -0.043 2
1 10 . 1 1 B 6 6 THR CA C 49 61.784 60.887 0.897 2
1 11 . 1 1 B 6 6 THR CB C 49 69.534 70.264 -0.730 2
1 12 . 1 1 B 6 6 THR N N 49 116.347 114.753 1.594 2
1 13 . 1 1 B 7 7 LEU H H 50 8.322 8.645 -0.323 2
1 14 . 1 1 B 7 7 LEU CA C 50 54.935 55.299 -0.364 2
1 15 . 1 1 B 7 7 LEU CB C 50 42.296 41.555 0.741 2
1 16 . 1 1 B 7 7 LEU N N 50 124.968 124.435 0.533 2
1 17 . 1 1 B 8 8 LEU H H 51 8.306 7.736 0.570 2
1 18 . 1 1 B 8 8 LEU CA C 51 54.908 53.311 1.597 2
1 19 . 1 1 B 8 8 LEU CB C 51 42.296 44.769 -2.473 2
1 20 . 1 1 B 8 8 LEU N N 51 123.239 118.239 5.000 2
1 21 . 1 1 B 9 9 SER H H 52 8.375 9.138 -0.763 2
1 22 . 1 1 B 9 9 SER CA C 52 57.866 56.601 1.265 2
1 23 . 1 1 B 9 9 SER CB C 52 63.889 65.289 -1.400 2
1 24 . 1 1 B 9 9 SER N N 52 116.347 115.100 1.247 2
1 25 . 1 1 B 10 10 ASP H H 53 8.434 8.790 -0.356 2
1 26 . 1 1 B 10 10 ASP CA C 53 54.825 56.319 -1.494 2
1 27 . 1 1 B 10 10 ASP CB C 53 40.825 40.969 -0.144 2
1 28 . 1 1 B 10 10 ASP N N 53 122.469 123.530 -1.061 2
1 29 . 1 1 B 11 11 GLU H H 54 8.384 8.582 -0.198 2
1 30 . 1 1 B 11 11 GLU CA C 54 57.149 59.203 -2.054 2
1 31 . 1 1 B 11 11 GLU CB C 54 30.127 28.878 1.249 2
1 32 . 1 1 B 11 11 GLU N N 54 120.496 118.001 2.495 2
1 33 . 1 1 B 12 12 ASP H H 55 8.222 8.062 0.160 2
1 34 . 1 1 B 12 12 ASP CA C 55 54.679 56.925 -2.246 2
1 35 . 1 1 B 12 12 ASP CB C 55 41.028 40.399 0.629 2
1 36 . 1 1 B 12 12 ASP N N 55 121.015 120.328 0.687 2
1 37 . 1 1 B 13 13 ALA H H 56 8.137 7.985 0.152 2
1 38 . 1 1 B 13 13 ALA CA C 56 53.158 54.689 -1.531 2
1 39 . 1 1 B 13 13 ALA CB C 56 19.134 18.260 0.874 2
1 40 . 1 1 B 13 13 ALA N N 56 124.104 122.346 1.758 2
1 41 . 1 1 B 14 14 GLU H H 57 8.275 7.662 0.613 2
1 42 . 1 1 B 14 14 GLU CA C 57 56.973 58.597 -1.624 2
1 43 . 1 1 B 14 14 GLU CB C 57 29.882 29.779 0.103 2
1 44 . 1 1 B 14 14 GLU N N 57 118.808 118.228 0.580 2
1 45 . 1 1 B 15 15 LEU H H 58 8.025 8.001 0.024 2
1 46 . 1 1 B 15 15 LEU CA C 58 55.578 57.789 -2.211 2
1 47 . 1 1 B 15 15 LEU CB C 58 41.884 41.577 0.307 2
1 48 . 1 1 B 15 15 LEU N N 58 122.227 120.087 2.140 2
1 49 . 1 1 B 16 16 VAL H H 59 7.949 7.811 0.138 2
1 50 . 1 1 B 16 16 VAL CA C 59 63.178 65.591 -2.413 2
1 51 . 1 1 B 16 16 VAL CB C 59 32.422 31.383 1.039 2
1 52 . 1 1 B 16 16 VAL N N 59 120.225 115.796 4.429 2
1 53 . 1 1 B 17 17 GLU H H 60 8.259 8.254 0.005 2
1 54 . 1 1 B 17 17 GLU CA C 60 56.876 58.924 -2.048 2
1 55 . 1 1 B 17 17 GLU CB C 60 29.896 29.154 0.742 2
1 56 . 1 1 B 17 17 GLU N N 60 122.595 120.311 2.284 2
1 57 . 1 1 B 18 18 ILE H H 61 8.066 7.748 0.318 2
1 58 . 1 1 B 18 18 ILE CA C 61 61.857 64.783 -2.926 2
1 59 . 1 1 B 18 18 ILE CB C 61 38.266 37.702 0.564 2
1 60 . 1 1 B 18 18 ILE N N 61 122.128 121.483 0.645 2
1 61 . 1 1 B 19 19 VAL H H 62 8.111 8.114 -0.003 2
1 62 . 1 1 B 19 19 VAL CA C 62 63.616 65.491 -1.875 2
1 63 . 1 1 B 19 19 VAL CB C 62 32.098 31.435 0.663 2
1 64 . 1 1 B 19 19 VAL N N 62 123.554 121.156 2.398 2
1 65 . 1 1 B 20 20 LYS H H 63 8.235 8.005 0.230 2
1 66 . 1 1 B 20 20 LYS CA C 63 57.431 58.804 -1.373 2
1 67 . 1 1 B 20 20 LYS CB C 63 32.617 31.780 0.837 2
1 68 . 1 1 B 20 20 LYS N N 63 123.314 120.501 2.813 2
1 69 . 1 1 B 21 21 GLU H H 64 8.257 7.926 0.331 2
1 70 . 1 1 B 21 21 GLU CA C 64 57.310 59.269 -1.959 2
1 71 . 1 1 B 21 21 GLU CB C 64 29.885 29.263 0.622 2
1 72 . 1 1 B 21 21 GLU N N 64 120.622 119.751 0.871 2
1 73 . 1 1 B 22 22 ARG H H 65 8.179 7.884 0.295 2
1 74 . 1 1 B 22 22 ARG CA C 65 56.674 58.312 -1.638 2
1 75 . 1 1 B 22 22 ARG CB C 65 30.520 30.197 0.323 2
1 76 . 1 1 B 22 22 ARG N N 65 120.784 119.655 1.129 2
1 77 . 1 1 B 23 23 LEU H H 66 8.042 8.013 0.029 2
1 78 . 1 1 B 23 23 LEU CA C 66 55.297 56.479 -1.182 2
1 79 . 1 1 B 23 23 LEU CB C 66 42.087 41.610 0.477 2
1 80 . 1 1 B 23 23 LEU N N 66 121.246 119.621 1.625 2
1 81 . 1 1 B 24 24 ARG H H 67 8.073 8.495 -0.422 2
1 82 . 1 1 B 24 24 ARG CA C 67 56.102 58.203 -2.101 2
1 83 . 1 1 B 24 24 ARG CB C 67 30.732 29.828 0.904 2
1 84 . 1 1 B 24 24 ARG N N 67 120.656 117.321 3.335 2
1 85 . 1 1 B 25 25 ASN H H 68 8.191 7.800 0.391 2
1 86 . 1 1 B 25 25 ASN CA C 68 56.384 50.866 5.518 2
1 87 . 1 1 B 25 25 ASN CB C 68 41.056 38.820 2.236 2
1 88 . 1 1 B 25 25 ASN N N 68 120.784 117.543 3.241 2
1 89 . 1 1 B 26 26 PRO CA C 69 62.979 65.099 -2.120 2
1 90 . 1 1 B 26 26 PRO CB C 69 32.101 31.859 0.242 2
1 91 . 1 1 B 27 27 LYS H H 70 8.322 7.979 0.343 2
1 92 . 1 1 B 27 27 LYS CA C 70 53.847 56.400 -2.553 2
1 93 . 1 1 B 27 27 LYS CB C 70 32.330 31.063 1.267 2
1 94 . 1 1 B 27 27 LYS N N 70 122.519 115.998 6.521 2
1 95 . 1 1 B 28 28 PRO CA C 71 62.803 62.383 0.420 2
1 96 . 1 1 B 28 28 PRO CB C 71 32.090 32.498 -0.408 2
1 97 . 1 1 B 29 29 VAL H H 72 8.250 8.537 -0.287 2
1 98 . 1 1 B 29 29 VAL CA C 72 62.281 61.020 1.261 2
1 99 . 1 1 B 29 29 VAL CB C 72 32.706 33.637 -0.931 2
1 100 . 1 1 B 29 29 VAL N N 72 120.957 122.594 -1.637 2
1 101 . 1 1 B 30 30 ARG H H 73 8.386 8.700 -0.314 2
1 102 . 1 1 B 30 30 ARG CA C 73 55.613 56.374 -0.761 2
1 103 . 1 1 B 30 30 ARG CB C 73 30.903 30.663 0.240 2
1 104 . 1 1 B 30 30 ARG N N 73 125.259 128.252 -2.993 2
1 105 . 1 1 B 31 31 VAL H H 74 8.338 8.846 -0.508 2
1 106 . 1 1 B 31 31 VAL CA C 74 62.185 59.211 2.974 2
1 107 . 1 1 B 31 31 VAL CB C 74 32.821 36.322 -3.501 2
1 108 . 1 1 B 31 31 VAL N N 74 122.368 119.448 2.920 2
1 109 . 1 1 B 32 32 THR H H 75 8.228 8.335 -0.107 2
1 110 . 1 1 B 32 32 THR CA C 75 61.337 59.196 2.141 2
1 111 . 1 1 B 32 32 THR CB C 75 69.630 71.972 -2.342 2
1 112 . 1 1 B 32 32 THR N N 75 118.303 110.844 7.459 2
1 113 . 1 1 B 33 33 LEU H H 76 8.361 8.944 -0.583 2
1 114 . 1 1 B 33 33 LEU CA C 76 55.083 57.587 -2.504 2
1 115 . 1 1 B 33 33 LEU CB C 76 42.167 41.527 0.640 2
1 116 . 1 1 B 33 33 LEU N N 76 124.501 122.281 2.220 2
1 117 . 1 1 B 34 34 ASP H H 77 8.252 8.255 -0.003 2
1 118 . 1 1 B 34 34 ASP CA C 77 54.463 57.476 -3.013 2
1 119 . 1 1 B 34 34 ASP CB C 77 41.065 41.358 -0.293 2
1 120 . 1 1 B 34 34 ASP N N 77 120.225 119.820 0.405 2
1 121 . 1 1 B 35 35 GLU H H 78 8.180 8.045 0.135 2
1 122 . 1 1 B 35 35 GLU CA C 78 56.262 57.386 -1.124 2
1 123 . 1 1 B 35 35 GLU CB C 78 30.411 29.733 0.678 2
1 124 . 1 1 B 35 35 GLU N N 78 120.656 115.947 4.709 2
stop_
save_