data_15093_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15093
_Entry.PDB_ID 2A01
_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 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 A 2 2 GLU H H 2 8.088 7.899 0.189 1
1 6 . 1 1 1 A 2 2 GLU CA C 2 53.630 53.034 0.596 1
1 7 . 1 1 1 A 2 2 GLU CB C 2 29.000 30.180 -1.180 1
1 8 . 1 1 1 A 2 2 GLU N N 2 122.858 117.912 4.946 1
1 9 . 1 1 1 A 4 4 PRO CA C 4 62.515 64.264 -1.749 1
1 10 . 1 1 1 A 4 4 PRO CB C 4 30.870 32.006 -1.136 1
1 11 . 1 1 1 A 5 5 GLN H H 5 8.435 7.982 0.453 1
1 12 . 1 1 1 A 5 5 GLN CA C 5 55.290 56.673 -1.383 1
1 13 . 1 1 1 A 5 5 GLN CB C 5 28.755 27.094 1.661 1
1 14 . 1 1 1 A 5 5 GLN N N 5 121.567 118.930 2.637 1
1 15 . 1 1 1 A 6 6 SER H H 6 8.298 8.230 0.068 1
1 16 . 1 1 1 A 6 6 SER CA C 6 55.010 61.896 -6.886 1
1 17 . 1 1 1 A 6 6 SER CB C 6 63.570 63.307 0.263 1
1 18 . 1 1 1 A 6 6 SER N N 6 118.284 113.468 4.816 1
1 19 . 1 1 1 A 7 7 PRO CA C 7 63.895 63.036 0.859 1
1 20 . 1 1 1 A 7 7 PRO CB C 7 28.310 31.313 -3.003 1
1 21 . 1 1 1 A 8 8 TRP H H 8 7.511 8.573 -1.062 1
1 22 . 1 1 1 A 8 8 TRP CA C 8 59.380 57.644 1.736 1
1 23 . 1 1 1 A 8 8 TRP CB C 8 28.550 27.622 0.928 1
1 24 . 1 1 1 A 8 8 TRP N N 8 116.230 120.863 -4.633 1
1 25 . 1 1 1 A 9 9 ASP H H 9 8.138 8.306 -0.168 1
1 26 . 1 1 1 A 9 9 ASP CA C 9 57.157 54.995 2.162 1
1 27 . 1 1 1 A 9 9 ASP CB C 9 38.775 41.883 -3.108 1
1 28 . 1 1 1 A 9 9 ASP N N 9 123.050 122.043 1.007 1
1 29 . 1 1 1 A 10 10 ARG H H 10 7.767 7.898 -0.131 1
1 30 . 1 1 1 A 10 10 ARG CA C 10 58.305 58.868 -0.563 1
1 31 . 1 1 1 A 10 10 ARG CB C 10 29.660 30.321 -0.661 1
1 32 . 1 1 1 A 10 10 ARG N N 10 118.559 120.621 -2.062 1
1 33 . 1 1 1 A 11 11 VAL H H 11 7.276 7.861 -0.585 1
1 34 . 1 1 1 A 11 11 VAL CA C 11 65.560 65.932 -0.372 1
1 35 . 1 1 1 A 11 11 VAL CB C 11 31.525 31.631 -0.106 1
1 36 . 1 1 1 A 11 11 VAL N N 11 119.585 120.371 -0.786 1
1 37 . 1 1 1 A 12 12 LYS H H 12 8.112 8.076 0.036 1
1 38 . 1 1 1 A 12 12 LYS CA C 12 60.060 59.841 0.219 1
1 39 . 1 1 1 A 12 12 LYS CB C 12 31.715 32.326 -0.611 1
1 40 . 1 1 1 A 12 12 LYS N N 12 122.918 119.559 3.359 1
1 41 . 1 1 1 A 13 13 ASP H H 13 8.001 7.999 0.002 1
1 42 . 1 1 1 A 13 13 ASP CA C 13 57.280 57.330 -0.050 1
1 43 . 1 1 1 A 13 13 ASP CB C 13 40.190 40.725 -0.535 1
1 44 . 1 1 1 A 13 13 ASP N N 13 119.203 119.847 -0.644 1
1 45 . 1 1 1 A 14 14 LEU H H 14 7.269 7.988 -0.719 1
1 46 . 1 1 1 A 14 14 LEU CA C 14 57.437 57.107 0.330 1
1 47 . 1 1 1 A 14 14 LEU CB C 14 41.720 41.839 -0.119 1
1 48 . 1 1 1 A 14 14 LEU N N 14 118.356 119.570 -1.214 1
1 49 . 1 1 1 A 15 15 ALA H H 15 8.111 7.909 0.202 1
1 50 . 1 1 1 A 15 15 ALA CA C 15 54.443 55.120 -0.677 1
1 51 . 1 1 1 A 15 15 ALA CB C 15 16.870 18.489 -1.619 1
1 52 . 1 1 1 A 15 15 ALA N N 15 120.172 122.396 -2.224 1
1 53 . 1 1 1 A 16 16 THR H H 16 8.602 7.999 0.603 1
1 54 . 1 1 1 A 16 16 THR CA C 16 66.515 66.111 0.404 1
1 55 . 1 1 1 A 16 16 THR CB C 16 68.670 68.822 -0.152 1
1 56 . 1 1 1 A 16 16 THR N N 16 117.712 114.420 3.292 1
1 57 . 1 1 1 A 17 17 VAL H H 17 7.771 7.942 -0.171 1
1 58 . 1 1 1 A 17 17 VAL CA C 17 64.705 65.821 -1.116 1
1 59 . 1 1 1 A 17 17 VAL CB C 17 31.845 31.696 0.149 1
1 60 . 1 1 1 A 17 17 VAL N N 17 118.550 121.849 -3.299 1
1 61 . 1 1 1 A 18 18 TYR H H 18 7.649 7.875 -0.226 1
1 62 . 1 1 1 A 18 18 TYR CA C 18 58.435 61.743 -3.308 1
1 63 . 1 1 1 A 18 18 TYR CB C 18 39.040 38.362 0.678 1
1 64 . 1 1 1 A 18 18 TYR N N 18 111.639 118.412 -6.773 1
1 65 . 1 1 1 A 19 19 VAL H H 19 7.156 7.930 -0.774 1
1 66 . 1 1 1 A 19 19 VAL CA C 19 63.075 66.031 -2.956 1
1 67 . 1 1 1 A 19 19 VAL CB C 19 32.220 31.659 0.561 1
1 68 . 1 1 1 A 19 19 VAL N N 19 112.139 120.487 -8.348 1
1 69 . 1 1 1 A 20 20 ASP H H 20 8.674 8.299 0.375 1
1 70 . 1 1 1 A 20 20 ASP CA C 20 57.075 56.987 0.088 1
1 71 . 1 1 1 A 20 20 ASP CB C 20 39.290 40.965 -1.675 1
1 72 . 1 1 1 A 20 20 ASP N N 20 122.660 121.565 1.095 1
1 73 . 1 1 1 A 21 21 VAL H H 21 6.621 7.872 -1.251 1
1 74 . 1 1 1 A 21 21 VAL CA C 21 62.825 65.856 -3.031 1
1 75 . 1 1 1 A 21 21 VAL CB C 21 30.850 31.322 -0.472 1
1 76 . 1 1 1 A 21 21 VAL N N 21 116.116 120.740 -4.624 1
1 77 . 1 1 1 A 22 22 LEU H H 22 7.132 8.119 -0.987 1
1 78 . 1 1 1 A 22 22 LEU CA C 22 57.490 57.642 -0.152 1
1 79 . 1 1 1 A 22 22 LEU CB C 22 40.790 41.568 -0.778 1
1 80 . 1 1 1 A 22 22 LEU N N 22 123.593 120.187 3.406 1
1 81 . 1 1 1 A 23 23 LYS H H 23 8.204 8.225 -0.021 1
1 82 . 1 1 1 A 23 23 LYS CA C 23 59.453 59.663 -0.210 1
1 83 . 1 1 1 A 23 23 LYS CB C 23 30.880 32.473 -1.593 1
1 84 . 1 1 1 A 23 23 LYS N N 23 121.286 118.995 2.291 1
1 85 . 1 1 1 A 24 24 ASP H H 24 8.326 7.967 0.359 1
1 86 . 1 1 1 A 24 24 ASP CA C 24 56.985 57.078 -0.093 1
1 87 . 1 1 1 A 24 24 ASP CB C 24 39.115 40.559 -1.444 1
1 88 . 1 1 1 A 24 24 ASP N N 24 121.857 119.930 1.927 1
1 89 . 1 1 1 A 25 25 SER H H 25 8.148 8.229 -0.081 1
1 90 . 1 1 1 A 25 25 SER CA C 25 61.360 61.052 0.308 1
1 91 . 1 1 1 A 25 25 SER CB C 25 62.290 62.404 -0.114 1
1 92 . 1 1 1 A 25 25 SER N N 25 118.519 114.011 4.508 1
1 93 . 1 1 1 A 26 26 GLY H H 26 7.877 8.330 -0.453 1
1 94 . 1 1 1 A 26 26 GLY CA C 26 47.110 47.430 -0.320 1
1 95 . 1 1 1 A 26 26 GLY N N 26 108.516 110.137 -1.621 1
1 96 . 1 1 1 A 27 27 ARG H H 27 8.252 7.973 0.279 1
1 97 . 1 1 1 A 27 27 ARG CA C 27 58.805 59.400 -0.595 1
1 98 . 1 1 1 A 27 27 ARG CB C 27 28.780 29.700 -0.920 1
1 99 . 1 1 1 A 27 27 ARG N N 27 123.917 122.402 1.515 1
1 100 . 1 1 1 A 28 28 ASP H H 28 7.831 8.013 -0.182 1
1 101 . 1 1 1 A 28 28 ASP CA C 28 56.910 57.014 -0.104 1
1 102 . 1 1 1 A 28 28 ASP CB C 28 39.570 40.526 -0.956 1
1 103 . 1 1 1 A 28 28 ASP N N 28 120.102 119.301 0.801 1
1 104 . 1 1 1 A 29 29 TYR H H 29 7.817 7.751 0.066 1
1 105 . 1 1 1 A 29 29 TYR CA C 29 62.030 61.169 0.861 1
1 106 . 1 1 1 A 29 29 TYR CB C 29 36.885 37.943 -1.058 1
1 107 . 1 1 1 A 29 29 TYR N N 29 120.912 119.508 1.404 1
1 108 . 1 1 1 A 30 30 VAL H H 30 8.119 8.073 0.046 1
1 109 . 1 1 1 A 30 30 VAL CA C 30 66.510 64.710 1.800 1
1 110 . 1 1 1 A 30 30 VAL CB C 30 30.340 31.362 -1.022 1
1 111 . 1 1 1 A 30 30 VAL N N 30 122.491 120.669 1.822 1
1 112 . 1 1 1 A 31 31 SER H H 31 8.845 8.229 0.616 1
1 113 . 1 1 1 A 31 31 SER CA C 31 61.300 61.714 -0.414 1
1 114 . 1 1 1 A 31 31 SER CB C 31 62.400 62.384 0.016 1
1 115 . 1 1 1 A 31 31 SER N N 31 117.444 117.017 0.427 1
1 116 . 1 1 1 A 32 32 GLN H H 32 7.524 7.802 -0.278 1
1 117 . 1 1 1 A 32 32 GLN CA C 32 57.817 58.883 -1.066 1
1 118 . 1 1 1 A 32 32 GLN CB C 32 27.595 28.482 -0.887 1
1 119 . 1 1 1 A 32 32 GLN N N 32 121.198 121.172 0.026 1
1 120 . 1 1 1 A 33 33 PHE H H 33 6.880 8.059 -1.179 1
1 121 . 1 1 1 A 33 33 PHE CA C 33 56.340 61.369 -5.029 1
1 122 . 1 1 1 A 33 33 PHE CB C 33 36.480 38.293 -1.813 1
1 123 . 1 1 1 A 33 33 PHE N N 33 119.801 119.642 0.159 1
1 124 . 1 1 1 A 34 34 GLU H H 34 8.220 8.509 -0.289 1
1 125 . 1 1 1 A 34 34 GLU CA C 34 55.297 59.531 -4.234 1
1 126 . 1 1 1 A 34 34 GLU CB C 34 28.827 29.203 -0.376 1
1 127 . 1 1 1 A 34 34 GLU N N 34 121.614 118.357 3.257 1
1 128 . 1 1 1 A 35 35 GLY H H 35 7.904 8.455 -0.551 1
1 129 . 1 1 1 A 35 35 GLY CA C 35 45.540 47.385 -1.845 1
1 130 . 1 1 1 A 35 35 GLY N N 35 117.264 109.185 8.079 1
1 131 . 1 1 1 A 36 36 SER H H 36 7.068 8.220 -1.152 1
1 132 . 1 1 1 A 36 36 SER CA C 36 57.910 61.501 -3.591 1
1 133 . 1 1 1 A 36 36 SER CB C 36 65.270 62.439 2.831 1
1 134 . 1 1 1 A 36 36 SER N N 36 117.173 117.002 0.171 1
1 135 . 1 1 1 A 37 37 ALA CA C 37 55.390 54.829 0.561 1
1 136 . 1 1 1 A 37 37 ALA CB C 37 17.030 18.602 -1.572 1
1 137 . 1 1 1 A 38 38 LEU H H 38 7.928 8.245 -0.317 1
1 138 . 1 1 1 A 38 38 LEU CA C 38 56.635 58.468 -1.833 1
1 139 . 1 1 1 A 38 38 LEU CB C 38 41.213 42.165 -0.952 1
1 140 . 1 1 1 A 38 38 LEU N N 38 117.645 119.311 -1.666 1
1 141 . 1 1 1 A 39 39 GLY H H 39 7.694 8.041 -0.347 1
1 142 . 1 1 1 A 39 39 GLY CA C 39 46.510 47.148 -0.638 1
1 143 . 1 1 1 A 39 39 GLY N N 39 109.337 106.057 3.280 1
1 144 . 1 1 1 A 40 40 LYS H H 40 8.429 7.923 0.506 1
1 145 . 1 1 1 A 40 40 LYS CA C 40 58.010 56.930 1.080 1
1 146 . 1 1 1 A 40 40 LYS CB C 40 30.955 31.314 -0.359 1
1 147 . 1 1 1 A 40 40 LYS N N 40 120.460 121.691 -1.231 1
1 148 . 1 1 1 A 41 41 GLN H H 41 7.688 8.262 -0.574 1
1 149 . 1 1 1 A 41 41 GLN CA C 41 58.085 58.091 -0.006 1
1 150 . 1 1 1 A 41 41 GLN CB C 41 27.610 29.264 -1.654 1
1 151 . 1 1 1 A 41 41 GLN N N 41 120.290 126.541 -6.251 1
1 152 . 1 1 1 A 42 42 LEU H H 42 7.698 7.473 0.225 1
1 153 . 1 1 1 A 42 42 LEU CA C 42 54.270 54.279 -0.009 1
1 154 . 1 1 1 A 42 42 LEU CB C 42 41.360 43.469 -2.109 1
1 155 . 1 1 1 A 42 42 LEU N N 42 116.866 119.536 -2.670 1
1 156 . 1 1 1 A 43 43 ASN H H 43 7.782 9.041 -1.259 1
1 157 . 1 1 1 A 43 43 ASN CA C 43 53.115 52.771 0.344 1
1 158 . 1 1 1 A 43 43 ASN CB C 43 36.330 39.504 -3.174 1
1 159 . 1 1 1 A 43 43 ASN N N 43 118.803 125.820 -7.017 1
1 160 . 1 1 1 A 44 44 LEU H H 44 8.108 9.206 -1.098 1
1 161 . 1 1 1 A 44 44 LEU CA C 44 55.190 53.187 2.003 1
1 162 . 1 1 1 A 44 44 LEU CB C 44 41.015 44.842 -3.827 1
1 163 . 1 1 1 A 44 44 LEU N N 44 117.261 124.962 -7.701 1
1 164 . 1 1 1 A 45 45 LYS H H 45 8.329 8.397 -0.068 1
1 165 . 1 1 1 A 45 45 LYS CA C 45 54.755 55.437 -0.682 1
1 166 . 1 1 1 A 45 45 LYS CB C 45 30.737 32.553 -1.816 1
1 167 . 1 1 1 A 45 45 LYS N N 45 124.276 118.524 5.752 1
1 168 . 1 1 1 A 46 46 LEU H H 46 9.476 7.842 1.634 1
1 169 . 1 1 1 A 46 46 LEU CA C 46 54.655 56.028 -1.373 1
1 170 . 1 1 1 A 46 46 LEU CB C 46 42.600 43.560 -0.960 1
1 171 . 1 1 1 A 46 46 LEU N N 46 123.547 119.914 3.633 1
1 172 . 1 1 1 A 47 47 LEU H H 47 8.216 8.065 0.151 1
1 173 . 1 1 1 A 47 47 LEU CA C 47 55.165 57.172 -2.007 1
1 174 . 1 1 1 A 47 47 LEU CB C 47 41.060 41.708 -0.648 1
1 175 . 1 1 1 A 47 47 LEU N N 47 120.113 120.016 0.097 1
1 176 . 1 1 1 A 48 48 ASP H H 48 8.135 8.208 -0.073 1
1 177 . 1 1 1 A 48 48 ASP CA C 48 55.575 56.612 -1.037 1
1 178 . 1 1 1 A 48 48 ASP CB C 48 40.920 41.081 -0.161 1
1 179 . 1 1 1 A 48 48 ASP N N 48 117.592 119.945 -2.353 1
1 180 . 1 1 1 A 49 49 ASN H H 49 8.075 7.830 0.245 1
1 181 . 1 1 1 A 49 49 ASN CA C 49 55.380 55.681 -0.301 1
1 182 . 1 1 1 A 49 49 ASN CB C 49 37.865 39.017 -1.152 1
1 183 . 1 1 1 A 49 49 ASN N N 49 121.846 117.093 4.753 1
1 184 . 1 1 1 A 50 50 TRP H H 50 7.822 7.774 0.048 1
1 185 . 1 1 1 A 50 50 TRP CA C 50 59.410 59.306 0.104 1
1 186 . 1 1 1 A 50 50 TRP CB C 50 31.385 30.335 1.050 1
1 187 . 1 1 1 A 50 50 TRP N N 50 123.066 118.694 4.372 1
1 188 . 1 1 1 A 51 51 ASP H H 51 7.684 7.945 -0.261 1
1 189 . 1 1 1 A 51 51 ASP CA C 51 52.030 55.364 -3.334 1
1 190 . 1 1 1 A 51 51 ASP CB C 51 38.310 41.687 -3.377 1
1 191 . 1 1 1 A 51 51 ASP N N 51 121.188 119.992 1.196 1
1 192 . 1 1 1 A 52 52 SER CA C 52 58.070 61.898 -3.828 1
1 193 . 1 1 1 A 52 52 SER CB C 52 63.050 63.209 -0.159 1
1 194 . 1 1 1 A 53 53 VAL H H 53 8.218 7.731 0.487 1
1 195 . 1 1 1 A 53 53 VAL CA C 53 63.010 65.508 -2.498 1
1 196 . 1 1 1 A 53 53 VAL CB C 53 31.630 31.477 0.153 1
1 197 . 1 1 1 A 53 53 VAL N N 53 123.612 118.566 5.046 1
1 198 . 1 1 1 A 54 54 THR H H 54 7.870 7.834 0.036 1
1 199 . 1 1 1 A 54 54 THR CA C 54 60.925 65.291 -4.366 1
1 200 . 1 1 1 A 54 54 THR CB C 54 69.247 68.902 0.345 1
1 201 . 1 1 1 A 54 54 THR N N 54 117.058 117.331 -0.273 1
1 202 . 1 1 1 A 55 55 SER H H 55 7.851 8.520 -0.669 1
1 203 . 1 1 1 A 55 55 SER CA C 55 55.240 61.690 -6.450 1
1 204 . 1 1 1 A 55 55 SER CB C 55 63.970 62.767 1.203 1
1 205 . 1 1 1 A 55 55 SER N N 55 124.463 116.901 7.562 1
1 206 . 1 1 1 A 56 56 THR H H 56 7.700 8.050 -0.350 1
1 207 . 1 1 1 A 56 56 THR CA C 56 66.040 66.411 -0.371 1
1 208 . 1 1 1 A 57 57 PHE H H 57 9.006 8.012 0.994 1
1 209 . 1 1 1 A 57 57 PHE CA C 57 60.590 60.477 0.113 1
1 210 . 1 1 1 A 57 57 PHE CB C 57 38.340 37.798 0.542 1
1 211 . 1 1 1 A 57 57 PHE N N 57 121.160 121.709 -0.549 1
1 212 . 1 1 1 A 58 58 SER H H 58 8.170 8.465 -0.295 1
1 213 . 1 1 1 A 58 58 SER CA C 58 61.510 61.559 -0.049 1
1 214 . 1 1 1 A 58 58 SER N N 58 116.192 116.276 -0.084 1
1 215 . 1 1 1 A 60 60 LEU CA C 60 57.090 56.924 0.166 1
1 216 . 1 1 1 A 60 60 LEU CB C 60 41.320 41.747 -0.427 1
1 217 . 1 1 1 A 61 61 ARG H H 61 8.152 8.023 0.129 1
1 218 . 1 1 1 A 61 61 ARG CA C 61 58.840 58.492 0.348 1
1 219 . 1 1 1 A 61 61 ARG CB C 61 27.850 30.089 -2.239 1
1 220 . 1 1 1 A 61 61 ARG N N 61 119.058 119.893 -0.835 1
1 221 . 1 1 1 A 62 62 GLU H H 62 7.579 8.123 -0.544 1
1 222 . 1 1 1 A 62 62 GLU CA C 62 58.230 58.304 -0.074 1
1 223 . 1 1 1 A 62 62 GLU CB C 62 28.540 30.016 -1.476 1
1 224 . 1 1 1 A 62 62 GLU N N 62 119.414 118.249 1.165 1
1 225 . 1 1 1 A 63 63 GLN H H 63 7.626 7.968 -0.342 1
1 226 . 1 1 1 A 63 63 GLN CA C 63 57.775 57.910 -0.135 1
1 227 . 1 1 1 A 63 63 GLN CB C 63 27.675 28.640 -0.965 1
1 228 . 1 1 1 A 63 63 GLN N N 63 118.836 118.215 0.621 1
1 229 . 1 1 1 A 64 64 LEU H H 64 8.055 7.876 0.179 1
1 230 . 1 1 1 A 64 64 LEU CA C 64 56.565 57.592 -1.027 1
1 231 . 1 1 1 A 64 64 LEU CB C 64 41.480 41.647 -0.167 1
1 232 . 1 1 1 A 64 64 LEU N N 64 119.807 119.545 0.262 1
1 233 . 1 1 1 A 65 65 GLY H H 65 7.154 8.290 -1.136 1
1 234 . 1 1 1 A 65 65 GLY CA C 65 44.150 48.236 -4.086 1
1 235 . 1 1 1 A 65 65 GLY N N 65 103.974 105.455 -1.481 1
1 236 . 1 1 1 A 66 66 PRO CA C 66 62.335 64.732 -2.397 1
1 237 . 1 1 1 A 66 66 PRO CB C 66 30.150 31.065 -0.915 1
1 238 . 1 1 1 A 67 67 VAL H H 67 8.155 7.230 0.925 1
1 239 . 1 1 1 A 67 67 VAL CA C 67 59.065 64.957 -5.892 1
1 240 . 1 1 1 A 67 67 VAL CB C 67 33.617 31.328 2.289 1
1 241 . 1 1 1 A 67 67 VAL N N 67 116.826 116.496 0.330 1
1 242 . 1 1 1 A 68 68 THR H H 68 7.670 8.078 -0.408 1
1 243 . 1 1 1 A 68 68 THR CA C 68 59.285 65.449 -6.164 1
1 244 . 1 1 1 A 68 68 THR CB C 68 71.610 67.912 3.698 1
1 245 . 1 1 1 A 68 68 THR N N 68 112.295 112.150 0.145 1
1 246 . 1 1 1 A 69 69 GLN H H 69 8.765 7.735 1.030 1
1 247 . 1 1 1 A 69 69 GLN CA C 69 58.190 58.715 -0.525 1
1 248 . 1 1 1 A 69 69 GLN CB C 69 27.330 28.606 -1.276 1
1 249 . 1 1 1 A 69 69 GLN N N 69 119.600 120.250 -0.650 1
1 250 . 1 1 1 A 70 70 GLU H H 70 8.339 7.880 0.459 1
1 251 . 1 1 1 A 70 70 GLU CA C 70 59.483 58.216 1.267 1
1 252 . 1 1 1 A 70 70 GLU CB C 70 28.410 29.632 -1.222 1
1 253 . 1 1 1 A 70 70 GLU N N 70 117.757 119.680 -1.923 1
1 254 . 1 1 1 A 71 71 PHE H H 71 7.166 8.116 -0.950 1
1 255 . 1 1 1 A 71 71 PHE CA C 71 60.233 60.677 -0.444 1
1 256 . 1 1 1 A 71 71 PHE CB C 71 38.065 39.384 -1.319 1
1 257 . 1 1 1 A 71 71 PHE N N 71 119.423 121.821 -2.398 1
1 258 . 1 1 1 A 72 72 TRP H H 72 6.749 7.734 -0.985 1
1 259 . 1 1 1 A 72 72 TRP CA C 72 57.865 59.714 -1.849 1
1 260 . 1 1 1 A 72 72 TRP CB C 72 28.500 29.459 -0.959 1
1 261 . 1 1 1 A 72 72 TRP N N 72 119.591 117.658 1.933 1
1 262 . 1 1 1 A 73 73 ASP H H 73 8.550 8.037 0.513 1
1 263 . 1 1 1 A 73 73 ASP CA C 73 56.745 56.803 -0.058 1
1 264 . 1 1 1 A 73 73 ASP CB C 73 39.275 40.759 -1.484 1
1 265 . 1 1 1 A 73 73 ASP N N 73 122.112 118.458 3.654 1
1 266 . 1 1 1 A 74 74 ASN H H 74 8.343 8.121 0.222 1
1 267 . 1 1 1 A 74 74 ASN CA C 74 54.843 55.578 -0.735 1
1 268 . 1 1 1 A 74 74 ASN CB C 74 37.007 38.590 -1.583 1
1 269 . 1 1 1 A 74 74 ASN N N 74 121.697 117.866 3.831 1
1 270 . 1 1 1 A 75 75 LEU H H 75 8.672 7.749 0.923 1
1 271 . 1 1 1 A 75 75 LEU CA C 75 57.635 55.111 2.524 1
1 272 . 1 1 1 A 75 75 LEU CB C 75 39.270 41.853 -2.583 1
1 273 . 1 1 1 A 75 75 LEU N N 75 122.675 117.665 5.010 1
1 274 . 1 1 1 A 76 76 GLU H H 76 7.914 8.132 -0.218 1
1 275 . 1 1 1 A 76 76 GLU CA C 76 59.060 58.750 0.310 1
1 276 . 1 1 1 A 76 76 GLU CB C 76 28.500 29.728 -1.228 1
1 277 . 1 1 1 A 76 76 GLU N N 76 120.581 120.061 0.520 1
1 278 . 1 1 1 A 77 77 LYS H H 77 7.515 7.838 -0.323 1
1 279 . 1 1 1 A 77 77 LYS CA C 77 58.457 58.075 0.382 1
1 280 . 1 1 1 A 77 77 LYS CB C 77 32.020 32.646 -0.626 1
1 281 . 1 1 1 A 77 77 LYS N N 77 118.867 118.826 0.041 1
1 282 . 1 1 1 A 78 78 GLU H H 78 8.034 8.223 -0.189 1
1 283 . 1 1 1 A 78 78 GLU CA C 78 55.187 59.220 -4.033 1
1 284 . 1 1 1 A 78 78 GLU CB C 78 28.790 29.011 -0.221 1
1 285 . 1 1 1 A 78 78 GLU N N 78 116.835 118.405 -1.570 1
1 286 . 1 1 1 A 79 79 THR H H 79 7.459 8.012 -0.553 1
1 287 . 1 1 1 A 79 79 THR CA C 79 68.580 64.586 3.994 1
1 288 . 1 1 1 A 79 79 THR N N 79 118.459 116.038 2.421 1
1 289 . 1 1 1 A 80 80 GLU H H 80 8.618 8.077 0.541 1
1 290 . 1 1 1 A 80 80 GLU CA C 80 59.545 58.866 0.679 1
1 291 . 1 1 1 A 80 80 GLU CB C 80 27.770 29.390 -1.620 1
1 292 . 1 1 1 A 80 80 GLU N N 80 120.946 121.219 -0.273 1
1 293 . 1 1 1 A 81 81 GLY H H 81 8.148 8.086 0.062 1
1 294 . 1 1 1 A 81 81 GLY CA C 81 46.420 46.516 -0.096 1
1 295 . 1 1 1 A 81 81 GLY N N 81 109.519 109.883 -0.364 1
1 296 . 1 1 1 A 82 82 LEU H H 82 8.395 8.077 0.318 1
1 297 . 1 1 1 A 82 82 LEU CA C 82 58.135 56.728 1.407 1
1 298 . 1 1 1 A 82 82 LEU CB C 82 41.085 41.901 -0.816 1
1 299 . 1 1 1 A 82 82 LEU N N 82 124.679 122.900 1.779 1
1 300 . 1 1 1 A 83 83 ARG H H 83 8.375 8.096 0.279 1
1 301 . 1 1 1 A 83 83 ARG CA C 83 59.670 59.857 -0.187 1
1 302 . 1 1 1 A 83 83 ARG CB C 83 29.100 29.721 -0.621 1
1 303 . 1 1 1 A 83 83 ARG N N 83 119.026 120.902 -1.876 1
1 304 . 1 1 1 A 84 84 GLN H H 84 7.684 7.822 -0.138 1
1 305 . 1 1 1 A 84 84 GLN CA C 84 58.575 58.227 0.348 1
1 306 . 1 1 1 A 84 84 GLN CB C 84 27.480 29.517 -2.037 1
1 307 . 1 1 1 A 84 84 GLN N N 84 119.187 117.780 1.407 1
1 308 . 1 1 1 A 85 85 GLU H H 85 8.079 7.979 0.100 1
1 309 . 1 1 1 A 85 85 GLU CA C 85 58.527 58.118 0.409 1
1 310 . 1 1 1 A 85 85 GLU CB C 85 27.970 30.570 -2.600 1
1 311 . 1 1 1 A 85 85 GLU N N 85 119.518 118.793 0.725 1
1 312 . 1 1 1 A 86 86 MET H H 86 8.596 7.544 1.052 1
1 313 . 1 1 1 A 86 86 MET CA C 86 55.197 54.977 0.220 1
1 314 . 1 1 1 A 86 86 MET CB C 86 27.813 33.784 -5.971 1
1 315 . 1 1 1 A 86 86 MET N N 86 117.520 116.963 0.557 1
1 316 . 1 1 1 A 87 87 SER H H 87 8.136 8.634 -0.498 1
1 317 . 1 1 1 A 87 87 SER CA C 87 61.910 58.896 3.014 1
1 318 . 1 1 1 A 87 87 SER CB C 87 63.200 63.258 -0.058 1
1 319 . 1 1 1 A 87 87 SER N N 87 115.854 116.217 -0.363 1
1 320 . 1 1 1 A 88 88 LYS H H 88 7.255 8.768 -1.513 1
1 321 . 1 1 1 A 88 88 LYS CA C 88 58.945 54.314 4.631 1
1 322 . 1 1 1 A 88 88 LYS CB C 88 30.850 35.935 -5.085 1
1 323 . 1 1 1 A 88 88 LYS N N 88 123.206 122.424 0.782 1
1 324 . 1 1 1 A 89 89 ASP H H 89 7.729 8.874 -1.145 1
1 325 . 1 1 1 A 89 89 ASP CA C 89 57.415 54.383 3.032 1
1 326 . 1 1 1 A 89 89 ASP CB C 89 40.150 42.683 -2.533 1
1 327 . 1 1 1 A 89 89 ASP N N 89 121.884 122.999 -1.115 1
1 328 . 1 1 1 A 90 90 LEU H H 90 8.690 8.795 -0.105 1
1 329 . 1 1 1 A 90 90 LEU CA C 90 57.860 57.278 0.582 1
1 330 . 1 1 1 A 90 90 LEU CB C 90 40.450 42.281 -1.831 1
1 331 . 1 1 1 A 90 90 LEU N N 90 120.905 128.495 -7.590 1
1 332 . 1 1 1 A 91 91 GLU H H 91 8.165 7.664 0.501 1
1 333 . 1 1 1 A 91 91 GLU CA C 91 59.020 56.838 2.182 1
1 334 . 1 1 1 A 91 91 GLU CB C 91 28.295 30.122 -1.827 1
1 335 . 1 1 1 A 91 91 GLU N N 91 119.004 118.152 0.852 1
1 336 . 1 1 1 A 92 92 GLU H H 92 7.829 7.770 0.059 1
1 337 . 1 1 1 A 92 92 GLU CA C 92 58.845 55.663 3.182 1
1 338 . 1 1 1 A 92 92 GLU CB C 92 28.695 29.969 -1.274 1
1 339 . 1 1 1 A 92 92 GLU N N 92 120.586 119.072 1.514 1
1 340 . 1 1 1 A 93 93 VAL H H 93 8.242 7.803 0.439 1
1 341 . 1 1 1 A 93 93 VAL CA C 93 66.570 65.780 0.790 1
1 342 . 1 1 1 A 93 93 VAL CB C 93 30.740 31.908 -1.168 1
1 343 . 1 1 1 A 93 93 VAL N N 93 121.110 120.026 1.084 1
1 344 . 1 1 1 A 94 94 LYS H H 94 9.272 8.136 1.136 1
1 345 . 1 1 1 A 94 94 LYS CA C 94 60.080 59.012 1.068 1
1 346 . 1 1 1 A 94 94 LYS CB C 94 31.095 32.218 -1.123 1
1 347 . 1 1 1 A 94 94 LYS N N 94 121.183 119.730 1.453 1
1 348 . 1 1 1 A 95 95 ALA H H 95 7.354 7.811 -0.457 1
1 349 . 1 1 1 A 95 95 ALA CA C 95 54.125 53.140 0.985 1
1 350 . 1 1 1 A 95 95 ALA CB C 95 16.973 19.171 -2.198 1
1 351 . 1 1 1 A 95 95 ALA N N 95 119.867 122.313 -2.446 1
1 352 . 1 1 1 A 96 96 LYS H H 96 7.367 7.624 -0.257 1
1 353 . 1 1 1 A 96 96 LYS CA C 96 57.780 57.266 0.514 1
1 354 . 1 1 1 A 96 96 LYS CB C 96 31.715 32.734 -1.019 1
1 355 . 1 1 1 A 96 96 LYS N N 96 117.520 115.990 1.530 1
1 356 . 1 1 1 A 97 97 VAL H H 97 7.509 7.903 -0.394 1
1 357 . 1 1 1 A 97 97 VAL CA C 97 61.827 66.552 -4.725 1
1 358 . 1 1 1 A 97 97 VAL CB C 97 31.565 31.783 -0.218 1
1 359 . 1 1 1 A 97 97 VAL N N 97 112.494 120.077 -7.583 1
1 360 . 1 1 1 A 98 98 GLN H H 98 7.649 8.022 -0.373 1
1 361 . 1 1 1 A 98 98 GLN CA C 98 59.230 60.447 -1.217 1
1 362 . 1 1 1 A 98 98 GLN CB C 98 24.730 27.380 -2.650 1
1 363 . 1 1 1 A 98 98 GLN N N 98 123.317 118.889 4.428 1
1 364 . 1 1 1 A 99 99 PRO CA C 99 65.520 65.642 -0.122 1
1 365 . 1 1 1 A 99 99 PRO CB C 99 30.065 30.808 -0.743 1
1 366 . 1 1 1 A 100 100 TYR H H 100 7.271 7.671 -0.400 1
1 367 . 1 1 1 A 100 100 TYR CA C 100 60.110 61.620 -1.510 1
1 368 . 1 1 1 A 100 100 TYR CB C 100 36.625 38.717 -2.092 1
1 369 . 1 1 1 A 100 100 TYR N N 100 116.023 119.194 -3.171 1
1 370 . 1 1 1 A 101 101 LEU H H 101 7.419 7.999 -0.580 1
1 371 . 1 1 1 A 101 101 LEU CA C 101 57.470 57.198 0.272 1
1 372 . 1 1 1 A 101 101 LEU CB C 101 38.265 41.861 -3.596 1
1 373 . 1 1 1 A 101 101 LEU N N 101 122.812 119.826 2.986 1
1 374 . 1 1 1 A 102 102 ASP H H 102 8.447 8.191 0.256 1
1 375 . 1 1 1 A 102 102 ASP CA C 102 56.855 56.480 0.375 1
1 376 . 1 1 1 A 102 102 ASP CB C 102 39.580 40.927 -1.347 1
1 377 . 1 1 1 A 102 102 ASP N N 102 119.801 119.275 0.526 1
1 378 . 1 1 1 A 103 103 ASP H H 103 8.008 8.207 -0.199 1
1 379 . 1 1 1 A 103 103 ASP CA C 103 56.750 56.219 0.531 1
1 380 . 1 1 1 A 103 103 ASP CB C 103 40.873 40.837 0.036 1
1 381 . 1 1 1 A 103 103 ASP N N 103 121.079 118.797 2.282 1
1 382 . 1 1 1 A 104 104 PHE H H 104 7.943 7.664 0.279 1
1 383 . 1 1 1 A 104 104 PHE CA C 104 60.960 60.910 0.050 1
1 384 . 1 1 1 A 104 104 PHE CB C 104 38.210 39.444 -1.234 1
1 385 . 1 1 1 A 104 104 PHE N N 104 121.273 117.739 3.534 1
1 386 . 1 1 1 A 105 105 GLN H H 105 8.096 8.470 -0.374 1
1 387 . 1 1 1 A 105 105 GLN CA C 105 57.740 58.625 -0.885 1
1 388 . 1 1 1 A 105 105 GLN CB C 105 28.510 28.759 -0.249 1
1 389 . 1 1 1 A 105 105 GLN N N 105 119.106 121.599 -2.493 1
1 390 . 1 1 1 A 106 106 LYS H H 106 7.699 7.926 -0.227 1
1 391 . 1 1 1 A 106 106 LYS CA C 106 58.555 58.971 -0.416 1
1 392 . 1 1 1 A 106 106 LYS CB C 106 31.430 31.959 -0.529 1
1 393 . 1 1 1 A 106 106 LYS N N 106 118.912 119.751 -0.839 1
1 394 . 1 1 1 A 107 107 LYS H H 107 8.069 7.939 0.130 1
1 395 . 1 1 1 A 107 107 LYS CA C 107 58.410 58.617 -0.207 1
1 396 . 1 1 1 A 107 107 LYS CB C 107 30.560 32.099 -1.539 1
1 397 . 1 1 1 A 107 107 LYS N N 107 119.138 118.593 0.545 1
1 398 . 1 1 1 A 108 108 TRP CA C 108 53.600 59.747 -6.147 1
1 399 . 1 1 1 A 108 108 TRP CB C 108 25.880 30.360 -4.480 1
1 400 . 1 1 1 A 109 109 GLN H H 109 6.993 7.761 -0.768 1
1 401 . 1 1 1 A 109 109 GLN CA C 109 59.310 57.581 1.729 1
1 402 . 1 1 1 A 109 109 GLN CB C 109 26.260 28.988 -2.728 1
1 403 . 1 1 1 A 109 109 GLN N N 109 122.543 120.110 2.433 1
1 404 . 1 1 1 A 110 110 GLU H H 110 7.810 8.062 -0.252 1
1 405 . 1 1 1 A 110 110 GLU CA C 110 55.020 58.430 -3.410 1
1 406 . 1 1 1 A 110 110 GLU CB C 110 29.000 29.793 -0.793 1
1 407 . 1 1 1 A 110 110 GLU N N 110 121.665 119.107 2.558 1
1 408 . 1 1 1 A 111 111 GLU H H 111 8.020 8.127 -0.107 1
1 409 . 1 1 1 A 111 111 GLU CA C 111 54.980 59.355 -4.375 1
1 410 . 1 1 1 A 111 111 GLU CB C 111 29.610 29.273 0.337 1
1 411 . 1 1 1 A 111 111 GLU N N 111 123.884 119.793 4.091 1
1 412 . 1 1 1 A 112 112 MET CA C 112 57.910 57.227 0.683 1
1 413 . 1 1 1 A 112 112 MET CB C 112 31.460 32.669 -1.209 1
1 414 . 1 1 1 A 113 113 GLU H H 113 7.718 7.953 -0.235 1
1 415 . 1 1 1 A 113 113 GLU CA C 113 57.950 58.777 -0.827 1
1 416 . 1 1 1 A 113 113 GLU CB C 113 27.960 29.692 -1.732 1
1 417 . 1 1 1 A 113 113 GLU N N 113 121.408 119.643 1.765 1
1 418 . 1 1 1 A 114 114 LEU H H 114 7.886 7.811 0.075 1
1 419 . 1 1 1 A 114 114 LEU CA C 114 57.375 55.938 1.437 1
1 420 . 1 1 1 A 114 114 LEU CB C 114 40.390 42.497 -2.107 1
1 421 . 1 1 1 A 114 114 LEU N N 114 121.656 118.608 3.048 1
1 422 . 1 1 1 A 115 115 TYR H H 115 8.181 7.855 0.326 1
1 423 . 1 1 1 A 115 115 TYR CA C 115 61.093 61.127 -0.034 1
1 424 . 1 1 1 A 115 115 TYR CB C 115 37.705 38.932 -1.227 1
1 425 . 1 1 1 A 115 115 TYR N N 115 120.736 119.436 1.300 1
1 426 . 1 1 1 A 116 116 ARG H H 116 8.308 7.827 0.481 1
1 427 . 1 1 1 A 116 116 ARG CA C 116 59.010 58.201 0.809 1
1 428 . 1 1 1 A 116 116 ARG CB C 116 28.790 30.476 -1.686 1
1 429 . 1 1 1 A 116 116 ARG N N 116 120.099 120.514 -0.415 1
1 430 . 1 1 1 A 117 117 GLN H H 117 7.819 8.002 -0.183 1
1 431 . 1 1 1 A 117 117 GLN CA C 117 57.590 57.434 0.156 1
1 432 . 1 1 1 A 117 117 GLN CB C 117 27.910 29.013 -1.103 1
1 433 . 1 1 1 A 117 117 GLN N N 117 115.959 117.301 -1.342 1
1 434 . 1 1 1 A 118 118 LYS H H 118 7.710 7.739 -0.029 1
1 435 . 1 1 1 A 118 118 LYS CA C 118 57.240 57.187 0.053 1
1 436 . 1 1 1 A 118 118 LYS CB C 118 32.330 33.130 -0.800 1
1 437 . 1 1 1 A 118 118 LYS N N 118 118.479 118.452 0.027 1
1 438 . 1 1 1 A 119 119 VAL H H 119 7.758 7.793 -0.035 1
1 439 . 1 1 1 A 119 119 VAL CA C 119 62.490 65.609 -3.119 1
1 440 . 1 1 1 A 119 119 VAL CB C 119 31.185 31.027 0.158 1
1 441 . 1 1 1 A 119 119 VAL N N 119 115.592 119.551 -3.959 1
1 442 . 1 1 1 A 120 120 GLU H H 120 8.299 8.187 0.112 1
1 443 . 1 1 1 A 120 120 GLU CA C 120 55.340 61.417 -6.077 1
1 444 . 1 1 1 A 120 120 GLU CB C 120 28.960 28.068 0.892 1
1 445 . 1 1 1 A 120 120 GLU N N 120 120.967 121.154 -0.187 1
1 446 . 1 1 1 A 121 121 PRO CA C 121 64.280 67.074 -2.794 1
1 447 . 1 1 1 A 121 121 PRO CB C 121 30.420 30.726 -0.306 1
1 448 . 1 1 1 A 122 122 LEU H H 122 7.338 8.524 -1.186 1
1 449 . 1 1 1 A 122 122 LEU CA C 122 55.585 57.102 -1.517 1
1 450 . 1 1 1 A 122 122 LEU CB C 122 40.750 41.089 -0.339 1
1 451 . 1 1 1 A 122 122 LEU N N 122 118.837 116.196 2.641 1
1 452 . 1 1 1 A 123 123 ARG H H 123 7.948 8.154 -0.206 1
1 453 . 1 1 1 A 123 123 ARG CA C 123 57.180 59.523 -2.343 1
1 454 . 1 1 1 A 123 123 ARG CB C 123 29.205 30.065 -0.860 1
1 455 . 1 1 1 A 123 123 ARG N N 123 120.148 119.604 0.544 1
1 456 . 1 1 1 A 124 124 ALA H H 124 7.980 8.006 -0.026 1
1 457 . 1 1 1 A 124 124 ALA CA C 124 53.447 54.932 -1.485 1
1 458 . 1 1 1 A 124 124 ALA CB C 124 17.713 18.310 -0.597 1
1 459 . 1 1 1 A 124 124 ALA N N 124 123.128 120.529 2.599 1
1 460 . 1 1 1 A 125 125 GLU H H 125 7.914 7.748 0.166 1
1 461 . 1 1 1 A 125 125 GLU CA C 125 56.910 58.343 -1.433 1
1 462 . 1 1 1 A 125 125 GLU CB C 125 28.935 29.261 -0.326 1
1 463 . 1 1 1 A 125 125 GLU N N 125 118.790 117.782 1.008 1
1 464 . 1 1 1 A 126 126 LEU H H 126 7.818 8.179 -0.361 1
1 465 . 1 1 1 A 126 126 LEU CA C 126 55.145 57.415 -2.270 1
1 466 . 1 1 1 A 126 126 LEU CB C 126 41.090 41.396 -0.306 1
1 467 . 1 1 1 A 126 126 LEU N N 126 121.446 120.568 0.878 1
1 468 . 1 1 1 A 127 127 GLN H H 127 7.994 8.284 -0.290 1
1 469 . 1 1 1 A 127 127 GLN CA C 127 55.775 59.065 -3.290 1
1 470 . 1 1 1 A 127 127 GLN CB C 127 28.375 28.662 -0.287 1
1 471 . 1 1 1 A 127 127 GLN N N 127 120.076 118.569 1.507 1
1 472 . 1 1 1 A 128 128 GLU H H 128 8.178 8.228 -0.050 1
1 473 . 1 1 1 A 128 128 GLU CA C 128 55.210 58.221 -3.011 1
1 474 . 1 1 1 A 128 128 GLU CB C 128 31.150 29.939 1.211 1
1 475 . 1 1 1 A 128 128 GLU N N 128 121.672 117.872 3.800 1
1 476 . 1 1 1 A 129 129 GLY H H 129 8.303 8.216 0.087 1
1 477 . 1 1 1 A 129 129 GLY CA C 129 44.867 46.856 -1.989 1
1 478 . 1 1 1 A 129 129 GLY N N 129 109.742 109.634 0.108 1
1 479 . 1 1 1 A 130 130 ALA H H 130 8.054 7.979 0.075 1
1 480 . 1 1 1 A 130 130 ALA CA C 130 52.293 54.463 -2.170 1
1 481 . 1 1 1 A 130 130 ALA CB C 130 18.127 18.323 -0.196 1
1 482 . 1 1 1 A 130 130 ALA N N 130 124.540 124.636 -0.096 1
1 483 . 1 1 1 A 131 131 ARG H H 131 8.130 7.561 0.569 1
1 484 . 1 1 1 A 131 131 ARG CA C 131 55.930 58.539 -2.609 1
1 485 . 1 1 1 A 131 131 ARG CB C 131 29.510 30.055 -0.545 1
1 486 . 1 1 1 A 131 131 ARG N N 131 120.454 117.205 3.249 1
1 487 . 1 1 1 A 132 132 GLN H H 132 8.285 7.851 0.434 1
1 488 . 1 1 1 A 132 132 GLN CA C 132 55.785 58.456 -2.671 1
1 489 . 1 1 1 A 132 132 GLN CB C 132 29.425 28.311 1.114 1
1 490 . 1 1 1 A 132 132 GLN N N 132 122.450 118.624 3.826 1
1 491 . 1 1 1 A 133 133 LYS H H 133 7.888 7.788 0.100 1
1 492 . 1 1 1 A 133 133 LYS CA C 133 57.450 59.433 -1.983 1
1 493 . 1 1 1 A 133 133 LYS CB C 133 31.420 32.162 -0.742 1
1 494 . 1 1 1 A 133 133 LYS N N 133 121.174 119.622 1.552 1
1 495 . 1 1 1 A 134 134 LEU CA C 134 54.910 58.007 -3.097 1
1 496 . 1 1 1 A 134 134 LEU CB C 134 40.970 41.995 -1.025 1
1 497 . 1 1 1 A 135 135 HIS H H 135 8.079 8.053 0.026 1
1 498 . 1 1 1 A 135 135 HIS CA C 135 52.400 59.944 -7.544 1
1 499 . 1 1 1 A 135 135 HIS CB C 135 31.850 29.639 2.211 1
1 500 . 1 1 1 A 135 135 HIS N N 135 124.577 116.737 7.840 1
1 501 . 1 1 1 A 136 136 GLU CA C 136 57.560 58.951 -1.391 1
1 502 . 1 1 1 A 136 136 GLU CB C 136 29.310 29.821 -0.511 1
1 503 . 1 1 1 A 137 137 LEU H H 137 7.958 7.883 0.075 1
1 504 . 1 1 1 A 137 137 LEU CA C 137 56.293 56.847 -0.554 1
1 505 . 1 1 1 A 137 137 LEU CB C 137 40.775 42.528 -1.753 1
1 506 . 1 1 1 A 137 137 LEU N N 137 121.497 119.339 2.158 1
1 507 . 1 1 1 A 138 138 GLN H H 138 8.133 7.423 0.710 1
1 508 . 1 1 1 A 138 138 GLN CA C 138 57.320 54.518 2.802 1
1 509 . 1 1 1 A 138 138 GLN CB C 138 27.765 27.369 0.396 1
1 510 . 1 1 1 A 138 138 GLN N N 138 119.521 117.793 1.728 1
1 511 . 1 1 1 A 139 139 GLU H H 139 8.020 8.629 -0.609 1
1 512 . 1 1 1 A 139 139 GLU CA C 139 57.520 59.146 -1.626 1
1 513 . 1 1 1 A 139 139 GLU CB C 139 29.435 29.190 0.245 1
1 514 . 1 1 1 A 139 139 GLU N N 139 120.200 123.914 -3.714 1
1 515 . 1 1 1 A 140 140 LYS H H 140 8.046 7.979 0.067 1
1 516 . 1 1 1 A 140 140 LYS CA C 140 55.910 55.831 0.079 1
1 517 . 1 1 1 A 140 140 LYS CB C 140 31.340 34.263 -2.923 1
1 518 . 1 1 1 A 140 140 LYS N N 140 121.602 118.149 3.453 1
1 519 . 1 1 1 A 143 143 PRO CA C 143 64.830 63.044 1.786 1
1 520 . 1 1 1 A 143 143 PRO CB C 143 30.150 32.482 -2.332 1
1 521 . 1 1 1 A 144 144 LEU H H 144 7.420 8.452 -1.032 1
1 522 . 1 1 1 A 144 144 LEU CA C 144 56.805 58.474 -1.669 1
1 523 . 1 1 1 A 144 144 LEU CB C 144 40.823 42.189 -1.366 1
1 524 . 1 1 1 A 144 144 LEU N N 144 119.224 124.192 -4.968 1
1 525 . 1 1 1 A 145 145 GLY H H 145 8.099 8.085 0.014 1
1 526 . 1 1 1 A 145 145 GLY CA C 145 46.788 47.075 -0.287 1
1 527 . 1 1 1 A 145 145 GLY N N 145 108.589 107.615 0.974 1
1 528 . 1 1 1 A 146 146 GLU H H 146 8.014 8.730 -0.716 1
1 529 . 1 1 1 A 146 146 GLU CA C 146 58.610 59.592 -0.982 1
1 530 . 1 1 1 A 146 146 GLU CB C 146 28.490 29.889 -1.399 1
1 531 . 1 1 1 A 146 146 GLU N N 146 121.920 125.833 -3.913 1
1 532 . 1 1 1 A 147 147 GLU CA C 147 58.660 59.573 -0.913 1
1 533 . 1 1 1 A 147 147 GLU CB C 147 28.700 29.226 -0.526 1
1 534 . 1 1 1 A 148 148 MET H H 148 7.999 8.441 -0.442 1
1 535 . 1 1 1 A 148 148 MET CA C 148 57.053 59.318 -2.265 1
1 536 . 1 1 1 A 148 148 MET CB C 148 31.050 32.686 -1.636 1
1 537 . 1 1 1 A 148 148 MET N N 148 118.582 119.334 -0.752 1
1 538 . 1 1 1 A 149 149 ARG H H 149 8.234 7.906 0.328 1
1 539 . 1 1 1 A 149 149 ARG CA C 149 58.720 58.770 -0.050 1
1 540 . 1 1 1 A 149 149 ARG CB C 149 29.220 29.837 -0.617 1
1 541 . 1 1 1 A 149 149 ARG N N 149 121.656 118.709 2.947 1
1 542 . 1 1 1 A 150 150 ASP H H 150 7.965 8.008 -0.043 1
1 543 . 1 1 1 A 150 150 ASP CA C 150 55.690 56.626 -0.936 1
1 544 . 1 1 1 A 150 150 ASP CB C 150 39.625 40.606 -0.981 1
1 545 . 1 1 1 A 150 150 ASP N N 150 120.750 119.042 1.708 1
1 546 . 1 1 1 A 151 151 ARG H H 151 8.234 8.036 0.198 1
1 547 . 1 1 1 A 151 151 ARG CA C 151 56.015 59.253 -3.238 1
1 548 . 1 1 1 A 151 151 ARG CB C 151 29.315 30.044 -0.729 1
1 549 . 1 1 1 A 151 151 ARG N N 151 122.154 120.854 1.300 1
1 550 . 1 1 1 A 152 152 ALA H H 152 8.440 7.970 0.470 1
1 551 . 1 1 1 A 152 152 ALA CA C 152 55.295 55.004 0.291 1
1 552 . 1 1 1 A 152 152 ALA CB C 152 18.985 18.373 0.612 1
1 553 . 1 1 1 A 152 152 ALA N N 152 122.031 121.925 0.106 1
1 554 . 1 1 1 A 153 153 ARG H H 153 7.741 7.956 -0.215 1
1 555 . 1 1 1 A 153 153 ARG CA C 153 58.795 59.334 -0.539 1
1 556 . 1 1 1 A 153 153 ARG CB C 153 28.755 29.915 -1.160 1
1 557 . 1 1 1 A 153 153 ARG N N 153 116.942 118.283 -1.341 1
1 558 . 1 1 1 A 154 154 ALA H H 154 7.748 8.010 -0.262 1
1 559 . 1 1 1 A 154 154 ALA CA C 154 54.727 54.884 -0.157 1
1 560 . 1 1 1 A 154 154 ALA CB C 154 16.600 18.229 -1.629 1
1 561 . 1 1 1 A 154 154 ALA N N 154 122.424 121.873 0.551 1
1 562 . 1 1 1 A 155 155 HIS H H 155 8.371 7.831 0.540 1
1 563 . 1 1 1 A 155 155 HIS CA C 155 58.365 59.765 -1.400 1
1 564 . 1 1 1 A 155 155 HIS CB C 155 30.180 30.665 -0.485 1
1 565 . 1 1 1 A 155 155 HIS N N 155 119.987 115.690 4.297 1
1 566 . 1 1 1 A 156 156 VAL H H 156 8.244 7.936 0.308 1
1 567 . 1 1 1 A 156 156 VAL CA C 156 66.895 66.258 0.637 1
1 568 . 1 1 1 A 156 156 VAL CB C 156 30.830 31.706 -0.876 1
1 569 . 1 1 1 A 156 156 VAL N N 156 122.072 119.516 2.556 1
1 570 . 1 1 1 A 157 157 ASP H H 157 8.777 8.219 0.558 1
1 571 . 1 1 1 A 157 157 ASP CA C 157 57.233 56.993 0.240 1
1 572 . 1 1 1 A 157 157 ASP CB C 157 39.770 40.432 -0.662 1
1 573 . 1 1 1 A 157 157 ASP N N 157 122.087 120.771 1.316 1
1 574 . 1 1 1 A 158 158 ALA H H 158 8.182 7.891 0.291 1
1 575 . 1 1 1 A 158 158 ALA CA C 158 54.540 54.295 0.245 1
1 576 . 1 1 1 A 158 158 ALA CB C 158 16.927 18.565 -1.638 1
1 577 . 1 1 1 A 158 158 ALA N N 158 122.748 122.178 0.570 1
1 578 . 1 1 1 A 159 159 LEU H H 159 7.712 7.971 -0.259 1
1 579 . 1 1 1 A 159 159 LEU CA C 159 57.880 56.553 1.327 1
1 580 . 1 1 1 A 159 159 LEU CB C 159 40.070 41.586 -1.516 1
1 581 . 1 1 1 A 159 159 LEU N N 159 121.122 119.448 1.674 1
1 582 . 1 1 1 A 160 160 ARG H H 160 8.565 8.107 0.458 1
1 583 . 1 1 1 A 160 160 ARG CA C 160 59.540 59.076 0.464 1
1 584 . 1 1 1 A 160 160 ARG CB C 160 28.930 30.116 -1.186 1
1 585 . 1 1 1 A 160 160 ARG N N 160 119.841 120.369 -0.528 1
1 586 . 1 1 1 A 161 161 THR H H 161 8.092 7.707 0.385 1
1 587 . 1 1 1 A 161 161 THR CA C 161 65.517 64.695 0.822 1
1 588 . 1 1 1 A 161 161 THR CB C 161 68.190 68.939 -0.749 1
1 589 . 1 1 1 A 161 161 THR N N 161 115.177 115.854 -0.677 1
1 590 . 1 1 1 A 162 162 HIS H H 162 8.094 7.880 0.214 1
1 591 . 1 1 1 A 162 162 HIS CA C 162 58.020 59.188 -1.168 1
1 592 . 1 1 1 A 162 162 HIS CB C 162 28.885 30.099 -1.214 1
1 593 . 1 1 1 A 162 162 HIS N N 162 121.449 118.250 3.199 1
1 594 . 1 1 1 A 163 163 LEU H H 163 7.882 8.096 -0.214 1
1 595 . 1 1 1 A 163 163 LEU CA C 163 56.730 57.095 -0.365 1
1 596 . 1 1 1 A 163 163 LEU CB C 163 41.407 41.478 -0.071 1
1 597 . 1 1 1 A 163 163 LEU N N 163 114.939 121.984 -7.045 1
1 598 . 1 1 1 A 164 164 ALA H H 164 7.322 8.260 -0.938 1
1 599 . 1 1 1 A 164 164 ALA CA C 164 56.570 56.895 -0.325 1
1 600 . 1 1 1 A 164 164 ALA CB C 164 14.900 17.396 -2.496 1
1 601 . 1 1 1 A 164 164 ALA N N 164 121.629 121.385 0.244 1
1 602 . 1 1 1 A 165 165 PRO CA C 165 64.880 66.127 -1.247 1
1 603 . 1 1 1 A 165 165 PRO CB C 165 29.925 30.448 -0.523 1
1 604 . 1 1 1 A 166 166 TYR H H 166 7.119 8.214 -1.095 1
1 605 . 1 1 1 A 166 166 TYR CA C 166 61.205 59.858 1.347 1
1 606 . 1 1 1 A 166 166 TYR CB C 166 37.197 36.812 0.385 1
1 607 . 1 1 1 A 166 166 TYR N N 166 118.539 116.041 2.498 1
1 608 . 1 1 1 A 167 167 SER H H 167 8.006 8.482 -0.476 1
1 609 . 1 1 1 A 167 167 SER CA C 167 62.460 61.472 0.988 1
1 610 . 1 1 1 A 167 167 SER N N 167 118.241 116.447 1.794 1
1 611 . 1 1 1 A 168 168 ASP CA C 168 57.025 56.294 0.731 1
1 612 . 1 1 1 A 168 168 ASP CB C 168 39.670 40.881 -1.211 1
1 613 . 1 1 1 A 169 169 GLU H H 169 7.837 8.020 -0.183 1
1 614 . 1 1 1 A 169 169 GLU CA C 169 59.030 57.589 1.441 1
1 615 . 1 1 1 A 169 169 GLU CB C 169 28.155 30.099 -1.944 1
1 616 . 1 1 1 A 169 169 GLU N N 169 121.623 118.512 3.111 1
1 617 . 1 1 1 A 170 170 LEU H H 170 7.898 7.995 -0.097 1
1 618 . 1 1 1 A 170 170 LEU CA C 170 57.845 56.924 0.921 1
1 619 . 1 1 1 A 170 170 LEU CB C 170 41.355 42.416 -1.061 1
1 620 . 1 1 1 A 170 170 LEU N N 170 119.634 122.535 -2.901 1
1 621 . 1 1 1 A 171 171 ARG H H 171 8.302 8.130 0.172 1
1 622 . 1 1 1 A 171 171 ARG CA C 171 60.020 58.697 1.323 1
1 623 . 1 1 1 A 171 171 ARG CB C 171 27.870 29.840 -1.970 1
1 624 . 1 1 1 A 171 171 ARG N N 171 120.504 119.511 0.993 1
1 625 . 1 1 1 A 172 172 GLN H H 172 8.536 7.860 0.676 1
1 626 . 1 1 1 A 172 172 GLN CA C 172 58.170 58.879 -0.709 1
1 627 . 1 1 1 A 172 172 GLN CB C 172 27.180 28.078 -0.898 1
1 628 . 1 1 1 A 172 172 GLN N N 172 118.904 118.324 0.580 1
1 629 . 1 1 1 A 173 173 ARG H H 173 8.357 7.927 0.430 1
1 630 . 1 1 1 A 173 173 ARG CA C 173 58.860 58.738 0.122 1
1 631 . 1 1 1 A 173 173 ARG CB C 173 28.730 29.962 -1.232 1
1 632 . 1 1 1 A 173 173 ARG N N 173 121.587 119.434 2.153 1
1 633 . 1 1 1 A 174 174 LEU H H 174 8.061 8.095 -0.034 1
1 634 . 1 1 1 A 174 174 LEU CA C 174 57.577 57.040 0.537 1
1 635 . 1 1 1 A 174 174 LEU CB C 174 39.887 40.964 -1.077 1
1 636 . 1 1 1 A 174 174 LEU N N 174 121.184 121.034 0.150 1
1 637 . 1 1 1 A 175 175 ALA H H 175 8.955 7.931 1.024 1
1 638 . 1 1 1 A 175 175 ALA CA C 175 55.430 54.750 0.680 1
1 639 . 1 1 1 A 175 175 ALA CB C 175 17.125 18.192 -1.067 1
1 640 . 1 1 1 A 175 175 ALA N N 175 121.682 121.807 -0.125 1
1 641 . 1 1 1 A 176 176 ALA H H 176 8.026 8.012 0.014 1
1 642 . 1 1 1 A 176 176 ALA CA C 176 54.400 54.657 -0.257 1
1 643 . 1 1 1 A 176 176 ALA CB C 176 17.110 18.411 -1.301 1
1 644 . 1 1 1 A 176 176 ALA N N 176 119.241 120.289 -1.048 1
1 645 . 1 1 1 A 177 177 ARG H H 177 7.540 7.726 -0.186 1
1 646 . 1 1 1 A 177 177 ARG CA C 177 58.805 57.891 0.914 1
1 647 . 1 1 1 A 177 177 ARG CB C 177 28.745 29.419 -0.674 1
1 648 . 1 1 1 A 177 177 ARG N N 177 118.554 118.151 0.403 1
1 649 . 1 1 1 A 178 178 LEU H H 178 8.135 8.193 -0.058 1
1 650 . 1 1 1 A 178 178 LEU CA C 178 56.865 57.900 -1.035 1
1 651 . 1 1 1 A 178 178 LEU CB C 178 40.750 41.043 -0.293 1
1 652 . 1 1 1 A 178 178 LEU N N 178 118.606 119.500 -0.894 1
1 653 . 1 1 1 A 179 179 GLU H H 179 8.824 8.541 0.283 1
1 654 . 1 1 1 A 179 179 GLU CA C 179 58.965 59.368 -0.403 1
1 655 . 1 1 1 A 179 179 GLU CB C 179 28.620 29.080 -0.460 1
1 656 . 1 1 1 A 179 179 GLU N N 179 120.916 118.112 2.804 1
1 657 . 1 1 1 A 180 180 ALA H H 180 7.095 7.841 -0.746 1
1 658 . 1 1 1 A 180 180 ALA CA C 180 53.325 54.633 -1.308 1
1 659 . 1 1 1 A 180 180 ALA CB C 180 17.335 18.457 -1.122 1
1 660 . 1 1 1 A 180 180 ALA N N 180 119.041 122.224 -3.183 1
1 661 . 1 1 1 A 181 181 LEU H H 181 7.494 8.243 -0.749 1
1 662 . 1 1 1 A 181 181 LEU CA C 181 54.570 57.370 -2.800 1
1 663 . 1 1 1 A 181 181 LEU CB C 181 40.140 41.417 -1.277 1
1 664 . 1 1 1 A 181 181 LEU N N 181 116.844 119.858 -3.014 1
1 665 . 1 1 1 A 182 182 LYS H H 182 7.390 8.207 -0.817 1
1 666 . 1 1 1 A 182 182 LYS CA C 182 57.647 59.736 -2.089 1
1 667 . 1 1 1 A 182 182 LYS CB C 182 32.275 32.433 -0.158 1
1 668 . 1 1 1 A 182 182 LYS N N 182 117.584 118.789 -1.205 1
1 669 . 1 1 1 A 183 183 GLU H H 183 7.972 8.028 -0.056 1
1 670 . 1 1 1 A 183 183 GLU CA C 183 55.790 59.187 -3.397 1
1 671 . 1 1 1 A 183 183 GLU CB C 183 29.635 29.838 -0.203 1
1 672 . 1 1 1 A 183 183 GLU N N 183 118.951 120.526 -1.575 1
1 673 . 1 1 1 A 184 184 ASN H H 184 8.503 8.030 0.473 1
1 674 . 1 1 1 A 184 184 ASN CA C 184 52.995 55.751 -2.756 1
1 675 . 1 1 1 A 184 184 ASN CB C 184 38.200 38.001 0.199 1
1 676 . 1 1 1 A 184 184 ASN N N 184 120.709 117.049 3.660 1
1 677 . 1 1 1 A 185 185 GLY H H 185 8.387 8.102 0.285 1
1 678 . 1 1 1 A 185 185 GLY CA C 185 45.215 47.116 -1.901 1
1 679 . 1 1 1 A 185 185 GLY N N 185 110.236 109.750 0.486 1
1 680 . 1 1 1 A 186 186 GLY H H 186 8.190 8.341 -0.151 1
1 681 . 1 1 1 A 186 186 GLY CA C 186 44.940 46.405 -1.465 1
1 682 . 1 1 1 A 186 186 GLY N N 186 109.722 109.978 -0.256 1
1 683 . 1 1 1 A 187 187 ALA H H 187 7.993 7.899 0.094 1
1 684 . 1 1 1 A 187 187 ALA CA C 187 52.275 53.306 -1.031 1
1 685 . 1 1 1 A 187 187 ALA CB C 187 18.120 19.061 -0.941 1
1 686 . 1 1 1 A 187 187 ALA N N 187 124.277 123.048 1.229 1
1 687 . 1 1 1 A 188 188 ARG H H 188 7.953 7.906 0.047 1
1 688 . 1 1 1 A 188 188 ARG CA C 188 55.100 58.271 -3.171 1
1 689 . 1 1 1 A 188 188 ARG CB C 188 28.470 30.078 -1.608 1
1 690 . 1 1 1 A 188 188 ARG N N 188 120.638 119.038 1.600 1
1 691 . 1 1 1 A 189 189 LEU CA C 189 54.430 54.745 -0.315 1
1 692 . 1 1 1 A 189 189 LEU CB C 189 41.180 42.023 -0.843 1
1 693 . 1 1 1 A 190 190 ALA H H 190 8.122 7.865 0.257 1
1 694 . 1 1 1 A 190 190 ALA CA C 190 51.750 55.135 -3.385 1
1 695 . 1 1 1 A 190 190 ALA CB C 190 18.160 18.650 -0.490 1
1 696 . 1 1 1 A 190 190 ALA N N 190 125.836 123.908 1.928 1
1 697 . 1 1 1 A 191 191 GLU H H 191 8.065 7.996 0.069 1
1 698 . 1 1 1 A 191 191 GLU CA C 191 53.805 58.011 -4.206 1
1 699 . 1 1 1 A 191 191 GLU CB C 191 29.330 31.456 -2.126 1
1 700 . 1 1 1 A 191 191 GLU N N 191 119.975 115.228 4.747 1
1 701 . 1 1 1 A 192 192 TYR H H 192 7.913 7.917 -0.004 1
1 702 . 1 1 1 A 192 192 TYR CA C 192 60.315 59.644 0.671 1
1 703 . 1 1 1 A 192 192 TYR CB C 192 37.750 40.760 -3.010 1
1 704 . 1 1 1 A 192 192 TYR N N 192 121.102 114.493 6.609 1
1 705 . 1 1 1 A 193 193 HIS H H 193 8.399 7.887 0.512 1
1 706 . 1 1 1 A 193 193 HIS CA C 193 56.210 56.739 -0.529 1
1 707 . 1 1 1 A 193 193 HIS CB C 193 29.170 32.121 -2.951 1
1 708 . 1 1 1 A 193 193 HIS N N 193 125.951 115.835 10.116 1
1 709 . 1 1 1 A 194 194 ALA CA C 194 51.670 52.814 -1.144 1
1 710 . 1 1 1 A 194 194 ALA CB C 194 18.280 17.733 0.547 1
1 711 . 1 1 1 A 195 195 LYS H H 195 8.198 8.260 -0.062 1
1 712 . 1 1 1 A 195 195 LYS CA C 195 56.453 56.020 0.433 1
1 713 . 1 1 1 A 195 195 LYS CB C 195 31.675 32.876 -1.201 1
1 714 . 1 1 1 A 195 195 LYS N N 195 123.198 118.670 4.528 1
1 715 . 1 1 1 A 196 196 ALA H H 196 8.079 8.024 0.055 1
1 716 . 1 1 1 A 196 196 ALA CA C 196 52.113 54.925 -2.812 1
1 717 . 1 1 1 A 196 196 ALA CB C 196 18.130 18.506 -0.376 1
1 718 . 1 1 1 A 196 196 ALA N N 196 121.873 123.810 -1.937 1
1 719 . 1 1 1 A 197 197 THR H H 197 7.911 7.924 -0.013 1
1 720 . 1 1 1 A 197 197 THR CA C 197 61.590 66.321 -4.731 1
1 721 . 1 1 1 A 197 197 THR CB C 197 69.120 68.646 0.474 1
1 722 . 1 1 1 A 197 197 THR N N 197 113.160 113.635 -0.475 1
1 723 . 1 1 1 A 198 198 GLU CA C 198 52.585 58.430 -5.845 1
1 724 . 1 1 1 A 198 198 GLU CB C 198 29.600 28.645 0.955 1
1 725 . 1 1 1 A 199 199 HIS H H 199 7.673 7.737 -0.064 1
1 726 . 1 1 1 A 199 199 HIS CA C 199 58.880 59.506 -0.626 1
1 727 . 1 1 1 A 199 199 HIS CB C 199 29.655 30.667 -1.012 1
1 728 . 1 1 1 A 199 199 HIS N N 199 121.694 117.684 4.010 1
1 729 . 1 1 1 A 200 200 LEU H H 200 8.180 8.061 0.119 1
1 730 . 1 1 1 A 200 200 LEU CA C 200 54.405 57.786 -3.381 1
1 731 . 1 1 1 A 200 200 LEU CB C 200 41.010 41.117 -0.107 1
1 732 . 1 1 1 A 200 200 LEU N N 200 118.748 120.414 -1.666 1
1 733 . 1 1 1 A 201 201 SER H H 201 7.761 8.054 -0.293 1
1 734 . 1 1 1 A 201 201 SER CA C 201 59.170 61.673 -2.503 1
1 735 . 1 1 1 A 201 201 SER CB C 201 63.967 62.490 1.477 1
1 736 . 1 1 1 A 201 201 SER N N 201 122.722 113.564 9.158 1
1 737 . 1 1 1 A 202 202 THR H H 202 7.697 8.098 -0.401 1
1 738 . 1 1 1 A 202 202 THR CA C 202 62.160 66.586 -4.426 1
1 739 . 1 1 1 A 202 202 THR CB C 202 69.700 68.561 1.139 1
1 740 . 1 1 1 A 202 202 THR N N 202 121.728 116.999 4.729 1
1 741 . 1 1 1 A 203 203 LEU H H 203 8.172 7.833 0.339 1
1 742 . 1 1 1 A 203 203 LEU CA C 203 56.350 57.139 -0.789 1
1 743 . 1 1 1 A 203 203 LEU CB C 203 40.925 41.675 -0.750 1
1 744 . 1 1 1 A 203 203 LEU N N 203 123.866 120.968 2.898 1
1 745 . 1 1 1 A 204 204 SER H H 204 8.118 8.035 0.083 1
1 746 . 1 1 1 A 204 204 SER CB C 204 69.240 63.137 6.103 1
1 747 . 1 1 1 A 204 204 SER N N 204 119.138 113.625 5.513 1
1 748 . 1 1 1 A 205 205 GLU CA C 205 57.505 58.571 -1.066 1
1 749 . 1 1 1 A 205 205 GLU CB C 205 28.690 29.499 -0.809 1
1 750 . 1 1 1 A 206 206 LYS H H 206 7.824 7.964 -0.140 1
1 751 . 1 1 1 A 206 206 LYS CA C 206 56.845 58.757 -1.912 1
1 752 . 1 1 1 A 206 206 LYS CB C 206 31.995 32.169 -0.174 1
1 753 . 1 1 1 A 206 206 LYS N N 206 120.139 120.875 -0.736 1
1 754 . 1 1 1 A 207 207 ALA H H 207 8.062 7.988 0.074 1
1 755 . 1 1 1 A 207 207 ALA CA C 207 52.060 54.290 -2.230 1
1 756 . 1 1 1 A 207 207 ALA CB C 207 18.100 18.375 -0.275 1
1 757 . 1 1 1 A 207 207 ALA N N 207 120.043 122.418 -2.375 1
1 758 . 1 1 1 A 208 208 LYS H H 208 7.747 8.037 -0.290 1
1 759 . 1 1 1 A 208 208 LYS CA C 208 57.070 61.464 -4.394 1
1 760 . 1 1 1 A 208 208 LYS CB C 208 32.730 30.688 2.042 1
1 761 . 1 1 1 A 208 208 LYS N N 208 126.600 117.655 8.945 1
1 762 . 1 1 1 A 209 209 PRO CA C 209 62.535 65.215 -2.680 1
1 763 . 1 1 1 A 209 209 PRO CB C 209 31.075 30.705 0.370 1
1 764 . 1 1 1 A 210 210 ALA H H 210 8.287 8.099 0.188 1
1 765 . 1 1 1 A 210 210 ALA CA C 210 51.673 55.047 -3.374 1
1 766 . 1 1 1 A 210 210 ALA CB C 210 18.207 18.429 -0.222 1
1 767 . 1 1 1 A 210 210 ALA N N 210 125.231 119.531 5.700 1
1 768 . 1 1 1 A 211 211 LEU H H 211 8.086 7.915 0.171 1
1 769 . 1 1 1 A 211 211 LEU CA C 211 53.870 56.105 -2.235 1
1 770 . 1 1 1 A 211 211 LEU CB C 211 41.135 42.075 -0.940 1
1 771 . 1 1 1 A 211 211 LEU N N 211 122.357 119.757 2.600 1
1 772 . 1 1 1 A 212 212 GLU H H 212 7.732 8.384 -0.652 1
1 773 . 1 1 1 A 212 212 GLU CA C 212 55.555 59.754 -4.199 1
1 774 . 1 1 1 A 212 212 GLU CB C 212 31.010 29.202 1.808 1
1 775 . 1 1 1 A 212 212 GLU N N 212 120.762 120.457 0.305 1
1 776 . 1 1 1 A 213 213 ASP H H 213 8.200 7.913 0.287 1
1 777 . 1 1 1 A 213 213 ASP CA C 213 53.835 56.974 -3.139 1
1 778 . 1 1 1 A 213 213 ASP CB C 213 40.310 41.118 -0.808 1
1 779 . 1 1 1 A 213 213 ASP N N 213 121.728 118.652 3.076 1
1 780 . 1 1 1 A 214 214 LEU H H 214 7.987 7.675 0.312 1
1 781 . 1 1 1 A 214 214 LEU CA C 214 54.683 55.446 -0.763 1
1 782 . 1 1 1 A 214 214 LEU CB C 214 40.875 42.169 -1.294 1
1 783 . 1 1 1 A 214 214 LEU N N 214 123.198 120.299 2.899 1
1 784 . 1 1 1 A 215 215 ARG H H 215 8.127 8.946 -0.819 1
1 785 . 1 1 1 A 215 215 ARG CA C 215 55.975 57.886 -1.911 1
1 786 . 1 1 1 A 215 215 ARG CB C 215 29.360 30.263 -0.903 1
1 787 . 1 1 1 A 215 215 ARG N N 215 122.153 123.029 -0.876 1
1 788 . 1 1 1 A 216 216 GLN H H 216 8.470 7.664 0.806 1
1 789 . 1 1 1 A 216 216 GLN CA C 216 56.680 55.314 1.366 1
1 790 . 1 1 1 A 216 216 GLN CB C 216 28.975 28.767 0.208 1
1 791 . 1 1 1 A 216 216 GLN N N 216 122.058 119.434 2.624 1
1 792 . 1 1 1 A 217 217 GLY H H 217 8.249 8.663 -0.414 1
1 793 . 1 1 1 A 217 217 GLY CA C 217 44.904 46.979 -2.075 1
1 794 . 1 1 1 A 217 217 GLY N N 217 110.178 111.612 -1.434 1
1 795 . 1 1 1 A 218 218 LEU H H 218 7.866 8.839 -0.973 1
1 796 . 1 1 1 A 218 218 LEU CA C 218 54.490 56.743 -2.253 1
1 797 . 1 1 1 A 218 218 LEU CB C 218 41.250 40.155 1.095 1
1 798 . 1 1 1 A 218 218 LEU N N 218 121.918 124.143 -2.225 1
1 799 . 1 1 1 A 219 219 LEU H H 219 7.841 8.119 -0.278 1
1 800 . 1 1 1 A 219 219 LEU CA C 219 52.690 59.811 -7.121 1
1 801 . 1 1 1 A 219 219 LEU CB C 219 39.770 40.606 -0.836 1
1 802 . 1 1 1 A 219 219 LEU N N 219 125.040 120.414 4.626 1
1 803 . 1 1 1 A 220 220 PRO CA C 220 61.960 65.090 -3.130 1
1 804 . 1 1 1 A 220 220 PRO CB C 220 30.930 31.114 -0.184 1
1 805 . 1 1 1 A 221 221 VAL H H 221 8.036 7.420 0.616 1
1 806 . 1 1 1 A 221 221 VAL CA C 221 62.410 65.736 -3.326 1
1 807 . 1 1 1 A 221 221 VAL CB C 221 31.285 31.781 -0.496 1
1 808 . 1 1 1 A 221 221 VAL N N 221 121.280 117.411 3.869 1
1 809 . 1 1 1 A 222 222 LEU H H 222 8.117 7.864 0.253 1
1 810 . 1 1 1 A 222 222 LEU CA C 222 53.923 57.694 -3.771 1
1 811 . 1 1 1 A 222 222 LEU CB C 222 40.520 41.618 -1.098 1
1 812 . 1 1 1 A 222 222 LEU N N 222 121.815 119.349 2.466 1
1 813 . 1 1 1 A 223 223 GLU H H 223 7.741 8.245 -0.504 1
1 814 . 1 1 1 A 223 223 GLU CA C 223 55.620 59.579 -3.959 1
1 815 . 1 1 1 A 223 223 GLU CB C 223 29.420 28.892 0.528 1
1 816 . 1 1 1 A 223 223 GLU N N 223 120.983 120.308 0.675 1
1 817 . 1 1 1 A 224 224 SER H H 224 8.024 8.143 -0.119 1
1 818 . 1 1 1 A 224 224 SER CA C 224 61.110 60.886 0.224 1
1 819 . 1 1 1 A 224 224 SER CB C 224 69.480 62.634 6.846 1
1 820 . 1 1 1 A 224 224 SER N N 224 115.443 115.340 0.103 1
1 821 . 1 1 1 A 225 225 PHE CA C 225 61.500 58.887 2.613 1
1 822 . 1 1 1 A 225 225 PHE CB C 225 41.140 38.944 2.196 1
1 823 . 1 1 1 A 226 226 LYS H H 226 7.710 8.152 -0.442 1
1 824 . 1 1 1 A 226 226 LYS CA C 226 58.610 58.850 -0.240 1
1 825 . 1 1 1 A 226 226 LYS CB C 226 31.455 32.338 -0.883 1
1 826 . 1 1 1 A 226 226 LYS N N 226 121.718 122.463 -0.745 1
1 827 . 1 1 1 A 227 227 VAL H H 227 7.956 7.802 0.154 1
1 828 . 1 1 1 A 227 227 VAL CA C 227 61.815 65.431 -3.616 1
1 829 . 1 1 1 A 227 227 VAL CB C 227 31.785 31.321 0.464 1
1 830 . 1 1 1 A 227 227 VAL N N 227 122.157 120.759 1.398 1
1 831 . 1 1 1 A 228 228 SER H H 228 7.767 8.349 -0.582 1
1 832 . 1 1 1 A 228 228 SER CA C 228 61.580 61.295 0.285 1
1 833 . 1 1 1 A 228 228 SER CB C 228 68.150 62.224 5.926 1
1 834 . 1 1 1 A 228 228 SER N N 228 125.544 114.449 11.095 1
1 835 . 1 1 1 A 229 229 PHE H H 229 8.018 7.764 0.254 1
1 836 . 1 1 1 A 229 229 PHE CA C 229 61.570 60.942 0.628 1
1 837 . 1 1 1 A 229 229 PHE CB C 229 37.925 38.717 -0.792 1
1 838 . 1 1 1 A 229 229 PHE N N 229 124.322 118.900 5.422 1
1 839 . 1 1 1 A 230 230 LEU H H 230 8.000 8.037 -0.037 1
1 840 . 1 1 1 A 230 230 LEU CB C 230 40.900 41.356 -0.456 1
1 841 . 1 1 1 A 230 230 LEU N N 230 122.730 120.696 2.034 1
1 842 . 1 1 1 A 232 232 ALA CA C 232 51.550 54.403 -2.853 1
1 843 . 1 1 1 A 232 232 ALA CB C 232 18.270 18.459 -0.189 1
1 844 . 1 1 1 A 233 233 LEU H H 233 8.060 8.180 -0.120 1
1 845 . 1 1 1 A 233 233 LEU CA C 233 54.800 57.533 -2.733 1
1 846 . 1 1 1 A 233 233 LEU CB C 233 41.050 41.661 -0.611 1
1 847 . 1 1 1 A 233 233 LEU N N 233 123.760 120.446 3.314 1
1 848 . 1 1 1 A 234 234 GLU H H 234 8.303 8.394 -0.091 1
1 849 . 1 1 1 A 234 234 GLU CA C 234 56.150 59.310 -3.160 1
1 850 . 1 1 1 A 234 234 GLU CB C 234 30.863 29.063 1.800 1
1 851 . 1 1 1 A 234 234 GLU N N 234 121.210 119.355 1.855 1
1 852 . 1 1 1 A 235 235 GLU H H 235 7.859 7.933 -0.074 1
1 853 . 1 1 1 A 235 235 GLU CA C 235 56.460 59.123 -2.663 1
1 854 . 1 1 1 A 235 235 GLU CB C 235 29.400 29.122 0.278 1
1 855 . 1 1 1 A 235 235 GLU N N 235 125.998 119.671 6.327 1
1 856 . 1 1 1 A 236 236 TYR H H 236 7.944 7.705 0.239 1
1 857 . 1 1 1 A 236 236 TYR CA C 236 57.763 60.567 -2.804 1
1 858 . 1 1 1 A 236 236 TYR CB C 236 37.713 38.053 -0.340 1
1 859 . 1 1 1 A 236 236 TYR N N 236 121.597 120.224 1.373 1
1 860 . 1 1 1 A 237 237 THR H H 237 7.641 8.080 -0.439 1
1 861 . 1 1 1 A 237 237 THR CA C 237 62.505 65.964 -3.459 1
1 862 . 1 1 1 A 237 237 THR CB C 237 70.150 68.245 1.905 1
1 863 . 1 1 1 A 237 237 THR N N 237 121.739 116.195 5.544 1
1 864 . 1 1 1 A 238 238 LYS H H 238 8.172 7.881 0.291 1
1 865 . 1 1 1 A 238 238 LYS CA C 238 55.195 59.276 -4.081 1
1 866 . 1 1 1 A 238 238 LYS CB C 238 31.225 32.299 -1.074 1
1 867 . 1 1 1 A 238 238 LYS N N 238 122.808 119.937 2.871 1
1 868 . 1 1 1 A 239 239 LYS H H 239 8.172 8.061 0.111 1
1 869 . 1 1 1 A 239 239 LYS CA C 239 56.670 58.945 -2.275 1
1 870 . 1 1 1 A 239 239 LYS CB C 239 31.650 32.120 -0.470 1
1 871 . 1 1 1 A 239 239 LYS N N 239 121.248 118.908 2.340 1
1 872 . 1 1 1 A 241 241 ASN CA C 241 55.920 56.618 -0.698 1
1 873 . 1 1 1 A 241 241 ASN CB C 241 40.700 38.611 2.089 1
1 874 . 1 1 1 A 242 242 THR H H 242 8.110 8.142 -0.032 1
1 875 . 1 1 1 A 242 242 THR CA C 242 61.380 67.179 -5.799 1
1 876 . 1 1 1 A 242 242 THR CB C 242 69.350 68.602 0.748 1
1 877 . 1 1 1 A 242 242 THR N N 242 115.986 117.074 -1.088 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 233 2.390 1
3 1 1 1 "RMS(OBS, PRED)" CB 221 1.652 1
4 1 1 1 "RMS(OBS, PRED)" H 210 0.511 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 209 3.319 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 A 2 2 GLU H H 2 8.088 7.899 0.189 2
1 6 . 1 1 A 2 2 GLU CA C 2 53.630 53.034 0.596 2
1 7 . 1 1 A 2 2 GLU CB C 2 29.000 30.180 -1.180 2
1 8 . 1 1 A 2 2 GLU N N 2 122.858 117.912 4.946 2
1 9 . 1 1 A 4 4 PRO CA C 4 62.515 64.264 -1.749 2
1 10 . 1 1 A 4 4 PRO CB C 4 30.870 32.006 -1.136 2
1 11 . 1 1 A 5 5 GLN H H 5 8.435 7.982 0.453 2
1 12 . 1 1 A 5 5 GLN CA C 5 55.290 56.673 -1.383 2
1 13 . 1 1 A 5 5 GLN CB C 5 28.755 27.094 1.661 2
1 14 . 1 1 A 5 5 GLN N N 5 121.567 118.930 2.637 2
1 15 . 1 1 A 6 6 SER H H 6 8.298 8.230 0.068 2
1 16 . 1 1 A 6 6 SER CA C 6 55.010 61.896 -6.886 2
1 17 . 1 1 A 6 6 SER CB C 6 63.570 63.307 0.263 2
1 18 . 1 1 A 6 6 SER N N 6 118.284 113.468 4.816 2
1 19 . 1 1 A 7 7 PRO CA C 7 63.895 63.036 0.859 2
1 20 . 1 1 A 7 7 PRO CB C 7 28.310 31.313 -3.003 2
1 21 . 1 1 A 8 8 TRP H H 8 7.511 8.573 -1.062 2
1 22 . 1 1 A 8 8 TRP CA C 8 59.380 57.644 1.736 2
1 23 . 1 1 A 8 8 TRP CB C 8 28.550 27.622 0.928 2
1 24 . 1 1 A 8 8 TRP N N 8 116.230 120.863 -4.633 2
1 25 . 1 1 A 9 9 ASP H H 9 8.138 8.306 -0.168 2
1 26 . 1 1 A 9 9 ASP CA C 9 57.157 54.995 2.162 2
1 27 . 1 1 A 9 9 ASP CB C 9 38.775 41.883 -3.108 2
1 28 . 1 1 A 9 9 ASP N N 9 123.050 122.043 1.007 2
1 29 . 1 1 A 10 10 ARG H H 10 7.767 7.898 -0.131 2
1 30 . 1 1 A 10 10 ARG CA C 10 58.305 58.868 -0.563 2
1 31 . 1 1 A 10 10 ARG CB C 10 29.660 30.321 -0.661 2
1 32 . 1 1 A 10 10 ARG N N 10 118.559 120.621 -2.062 2
1 33 . 1 1 A 11 11 VAL H H 11 7.276 7.861 -0.585 2
1 34 . 1 1 A 11 11 VAL CA C 11 65.560 65.932 -0.372 2
1 35 . 1 1 A 11 11 VAL CB C 11 31.525 31.631 -0.106 2
1 36 . 1 1 A 11 11 VAL N N 11 119.585 120.371 -0.786 2
1 37 . 1 1 A 12 12 LYS H H 12 8.112 8.076 0.036 2
1 38 . 1 1 A 12 12 LYS CA C 12 60.060 59.841 0.219 2
1 39 . 1 1 A 12 12 LYS CB C 12 31.715 32.326 -0.611 2
1 40 . 1 1 A 12 12 LYS N N 12 122.918 119.559 3.359 2
1 41 . 1 1 A 13 13 ASP H H 13 8.001 7.999 0.002 2
1 42 . 1 1 A 13 13 ASP CA C 13 57.280 57.330 -0.050 2
1 43 . 1 1 A 13 13 ASP CB C 13 40.190 40.725 -0.535 2
1 44 . 1 1 A 13 13 ASP N N 13 119.203 119.847 -0.644 2
1 45 . 1 1 A 14 14 LEU H H 14 7.269 7.988 -0.719 2
1 46 . 1 1 A 14 14 LEU CA C 14 57.437 57.107 0.330 2
1 47 . 1 1 A 14 14 LEU CB C 14 41.720 41.839 -0.119 2
1 48 . 1 1 A 14 14 LEU N N 14 118.356 119.570 -1.214 2
1 49 . 1 1 A 15 15 ALA H H 15 8.111 7.909 0.202 2
1 50 . 1 1 A 15 15 ALA CA C 15 54.443 55.120 -0.677 2
1 51 . 1 1 A 15 15 ALA CB C 15 16.870 18.489 -1.619 2
1 52 . 1 1 A 15 15 ALA N N 15 120.172 122.396 -2.224 2
1 53 . 1 1 A 16 16 THR H H 16 8.602 7.999 0.603 2
1 54 . 1 1 A 16 16 THR CA C 16 66.515 66.111 0.404 2
1 55 . 1 1 A 16 16 THR CB C 16 68.670 68.822 -0.152 2
1 56 . 1 1 A 16 16 THR N N 16 117.712 114.420 3.292 2
1 57 . 1 1 A 17 17 VAL H H 17 7.771 7.942 -0.171 2
1 58 . 1 1 A 17 17 VAL CA C 17 64.705 65.821 -1.116 2
1 59 . 1 1 A 17 17 VAL CB C 17 31.845 31.696 0.149 2
1 60 . 1 1 A 17 17 VAL N N 17 118.550 121.849 -3.299 2
1 61 . 1 1 A 18 18 TYR H H 18 7.649 7.875 -0.226 2
1 62 . 1 1 A 18 18 TYR CA C 18 58.435 61.743 -3.308 2
1 63 . 1 1 A 18 18 TYR CB C 18 39.040 38.362 0.678 2
1 64 . 1 1 A 18 18 TYR N N 18 111.639 118.412 -6.773 2
1 65 . 1 1 A 19 19 VAL H H 19 7.156 7.930 -0.774 2
1 66 . 1 1 A 19 19 VAL CA C 19 63.075 66.031 -2.956 2
1 67 . 1 1 A 19 19 VAL CB C 19 32.220 31.659 0.561 2
1 68 . 1 1 A 19 19 VAL N N 19 112.139 120.487 -8.348 2
1 69 . 1 1 A 20 20 ASP H H 20 8.674 8.299 0.375 2
1 70 . 1 1 A 20 20 ASP CA C 20 57.075 56.987 0.088 2
1 71 . 1 1 A 20 20 ASP CB C 20 39.290 40.965 -1.675 2
1 72 . 1 1 A 20 20 ASP N N 20 122.660 121.565 1.095 2
1 73 . 1 1 A 21 21 VAL H H 21 6.621 7.872 -1.251 2
1 74 . 1 1 A 21 21 VAL CA C 21 62.825 65.856 -3.031 2
1 75 . 1 1 A 21 21 VAL CB C 21 30.850 31.322 -0.472 2
1 76 . 1 1 A 21 21 VAL N N 21 116.116 120.740 -4.624 2
1 77 . 1 1 A 22 22 LEU H H 22 7.132 8.119 -0.987 2
1 78 . 1 1 A 22 22 LEU CA C 22 57.490 57.642 -0.152 2
1 79 . 1 1 A 22 22 LEU CB C 22 40.790 41.568 -0.778 2
1 80 . 1 1 A 22 22 LEU N N 22 123.593 120.187 3.406 2
1 81 . 1 1 A 23 23 LYS H H 23 8.204 8.225 -0.021 2
1 82 . 1 1 A 23 23 LYS CA C 23 59.453 59.663 -0.210 2
1 83 . 1 1 A 23 23 LYS CB C 23 30.880 32.473 -1.593 2
1 84 . 1 1 A 23 23 LYS N N 23 121.286 118.995 2.291 2
1 85 . 1 1 A 24 24 ASP H H 24 8.326 7.967 0.359 2
1 86 . 1 1 A 24 24 ASP CA C 24 56.985 57.078 -0.093 2
1 87 . 1 1 A 24 24 ASP CB C 24 39.115 40.559 -1.444 2
1 88 . 1 1 A 24 24 ASP N N 24 121.857 119.930 1.927 2
1 89 . 1 1 A 25 25 SER H H 25 8.148 8.229 -0.081 2
1 90 . 1 1 A 25 25 SER CA C 25 61.360 61.052 0.308 2
1 91 . 1 1 A 25 25 SER CB C 25 62.290 62.404 -0.114 2
1 92 . 1 1 A 25 25 SER N N 25 118.519 114.011 4.508 2
1 93 . 1 1 A 26 26 GLY H H 26 7.877 8.330 -0.453 2
1 94 . 1 1 A 26 26 GLY CA C 26 47.110 47.430 -0.320 2
1 95 . 1 1 A 26 26 GLY N N 26 108.516 110.137 -1.621 2
1 96 . 1 1 A 27 27 ARG H H 27 8.252 7.973 0.279 2
1 97 . 1 1 A 27 27 ARG CA C 27 58.805 59.400 -0.595 2
1 98 . 1 1 A 27 27 ARG CB C 27 28.780 29.700 -0.920 2
1 99 . 1 1 A 27 27 ARG N N 27 123.917 122.402 1.515 2
1 100 . 1 1 A 28 28 ASP H H 28 7.831 8.013 -0.182 2
1 101 . 1 1 A 28 28 ASP CA C 28 56.910 57.014 -0.104 2
1 102 . 1 1 A 28 28 ASP CB C 28 39.570 40.526 -0.956 2
1 103 . 1 1 A 28 28 ASP N N 28 120.102 119.301 0.801 2
1 104 . 1 1 A 29 29 TYR H H 29 7.817 7.751 0.066 2
1 105 . 1 1 A 29 29 TYR CA C 29 62.030 61.169 0.861 2
1 106 . 1 1 A 29 29 TYR CB C 29 36.885 37.943 -1.058 2
1 107 . 1 1 A 29 29 TYR N N 29 120.912 119.508 1.404 2
1 108 . 1 1 A 30 30 VAL H H 30 8.119 8.073 0.046 2
1 109 . 1 1 A 30 30 VAL CA C 30 66.510 64.710 1.800 2
1 110 . 1 1 A 30 30 VAL CB C 30 30.340 31.362 -1.022 2
1 111 . 1 1 A 30 30 VAL N N 30 122.491 120.669 1.822 2
1 112 . 1 1 A 31 31 SER H H 31 8.845 8.229 0.616 2
1 113 . 1 1 A 31 31 SER CA C 31 61.300 61.714 -0.414 2
1 114 . 1 1 A 31 31 SER CB C 31 62.400 62.384 0.016 2
1 115 . 1 1 A 31 31 SER N N 31 117.444 117.017 0.427 2
1 116 . 1 1 A 32 32 GLN H H 32 7.524 7.802 -0.278 2
1 117 . 1 1 A 32 32 GLN CA C 32 57.817 58.883 -1.066 2
1 118 . 1 1 A 32 32 GLN CB C 32 27.595 28.482 -0.887 2
1 119 . 1 1 A 32 32 GLN N N 32 121.198 121.172 0.026 2
1 120 . 1 1 A 33 33 PHE H H 33 6.880 8.059 -1.179 2
1 121 . 1 1 A 33 33 PHE CA C 33 56.340 61.369 -5.029 2
1 122 . 1 1 A 33 33 PHE CB C 33 36.480 38.293 -1.813 2
1 123 . 1 1 A 33 33 PHE N N 33 119.801 119.642 0.159 2
1 124 . 1 1 A 34 34 GLU H H 34 8.220 8.509 -0.289 2
1 125 . 1 1 A 34 34 GLU CA C 34 55.297 59.531 -4.234 2
1 126 . 1 1 A 34 34 GLU CB C 34 28.827 29.203 -0.376 2
1 127 . 1 1 A 34 34 GLU N N 34 121.614 118.357 3.257 2
1 128 . 1 1 A 35 35 GLY H H 35 7.904 8.455 -0.551 2
1 129 . 1 1 A 35 35 GLY CA C 35 45.540 47.385 -1.845 2
1 130 . 1 1 A 35 35 GLY N N 35 117.264 109.185 8.079 2
1 131 . 1 1 A 36 36 SER H H 36 7.068 8.220 -1.152 2
1 132 . 1 1 A 36 36 SER CA C 36 57.910 61.501 -3.591 2
1 133 . 1 1 A 36 36 SER CB C 36 65.270 62.439 2.831 2
1 134 . 1 1 A 36 36 SER N N 36 117.173 117.002 0.171 2
1 135 . 1 1 A 37 37 ALA CA C 37 55.390 54.829 0.561 2
1 136 . 1 1 A 37 37 ALA CB C 37 17.030 18.602 -1.572 2
1 137 . 1 1 A 38 38 LEU H H 38 7.928 8.245 -0.317 2
1 138 . 1 1 A 38 38 LEU CA C 38 56.635 58.468 -1.833 2
1 139 . 1 1 A 38 38 LEU CB C 38 41.213 42.165 -0.952 2
1 140 . 1 1 A 38 38 LEU N N 38 117.645 119.311 -1.666 2
1 141 . 1 1 A 39 39 GLY H H 39 7.694 8.041 -0.347 2
1 142 . 1 1 A 39 39 GLY CA C 39 46.510 47.148 -0.638 2
1 143 . 1 1 A 39 39 GLY N N 39 109.337 106.057 3.280 2
1 144 . 1 1 A 40 40 LYS H H 40 8.429 7.923 0.506 2
1 145 . 1 1 A 40 40 LYS CA C 40 58.010 56.930 1.080 2
1 146 . 1 1 A 40 40 LYS CB C 40 30.955 31.314 -0.359 2
1 147 . 1 1 A 40 40 LYS N N 40 120.460 121.691 -1.231 2
1 148 . 1 1 A 41 41 GLN H H 41 7.688 8.262 -0.574 2
1 149 . 1 1 A 41 41 GLN CA C 41 58.085 58.091 -0.006 2
1 150 . 1 1 A 41 41 GLN CB C 41 27.610 29.264 -1.654 2
1 151 . 1 1 A 41 41 GLN N N 41 120.290 126.541 -6.251 2
1 152 . 1 1 A 42 42 LEU H H 42 7.698 7.473 0.225 2
1 153 . 1 1 A 42 42 LEU CA C 42 54.270 54.279 -0.009 2
1 154 . 1 1 A 42 42 LEU CB C 42 41.360 43.469 -2.109 2
1 155 . 1 1 A 42 42 LEU N N 42 116.866 119.536 -2.670 2
1 156 . 1 1 A 43 43 ASN H H 43 7.782 9.041 -1.259 2
1 157 . 1 1 A 43 43 ASN CA C 43 53.115 52.771 0.344 2
1 158 . 1 1 A 43 43 ASN CB C 43 36.330 39.504 -3.174 2
1 159 . 1 1 A 43 43 ASN N N 43 118.803 125.820 -7.017 2
1 160 . 1 1 A 44 44 LEU H H 44 8.108 9.206 -1.098 2
1 161 . 1 1 A 44 44 LEU CA C 44 55.190 53.187 2.003 2
1 162 . 1 1 A 44 44 LEU CB C 44 41.015 44.842 -3.827 2
1 163 . 1 1 A 44 44 LEU N N 44 117.261 124.962 -7.701 2
1 164 . 1 1 A 45 45 LYS H H 45 8.329 8.397 -0.068 2
1 165 . 1 1 A 45 45 LYS CA C 45 54.755 55.437 -0.682 2
1 166 . 1 1 A 45 45 LYS CB C 45 30.737 32.553 -1.816 2
1 167 . 1 1 A 45 45 LYS N N 45 124.276 118.524 5.752 2
1 168 . 1 1 A 46 46 LEU H H 46 9.476 7.842 1.634 2
1 169 . 1 1 A 46 46 LEU CA C 46 54.655 56.028 -1.373 2
1 170 . 1 1 A 46 46 LEU CB C 46 42.600 43.560 -0.960 2
1 171 . 1 1 A 46 46 LEU N N 46 123.547 119.914 3.633 2
1 172 . 1 1 A 47 47 LEU H H 47 8.216 8.065 0.151 2
1 173 . 1 1 A 47 47 LEU CA C 47 55.165 57.172 -2.007 2
1 174 . 1 1 A 47 47 LEU CB C 47 41.060 41.708 -0.648 2
1 175 . 1 1 A 47 47 LEU N N 47 120.113 120.016 0.097 2
1 176 . 1 1 A 48 48 ASP H H 48 8.135 8.208 -0.073 2
1 177 . 1 1 A 48 48 ASP CA C 48 55.575 56.612 -1.037 2
1 178 . 1 1 A 48 48 ASP CB C 48 40.920 41.081 -0.161 2
1 179 . 1 1 A 48 48 ASP N N 48 117.592 119.945 -2.353 2
1 180 . 1 1 A 49 49 ASN H H 49 8.075 7.830 0.245 2
1 181 . 1 1 A 49 49 ASN CA C 49 55.380 55.681 -0.301 2
1 182 . 1 1 A 49 49 ASN CB C 49 37.865 39.017 -1.152 2
1 183 . 1 1 A 49 49 ASN N N 49 121.846 117.093 4.753 2
1 184 . 1 1 A 50 50 TRP H H 50 7.822 7.774 0.048 2
1 185 . 1 1 A 50 50 TRP CA C 50 59.410 59.306 0.104 2
1 186 . 1 1 A 50 50 TRP CB C 50 31.385 30.335 1.050 2
1 187 . 1 1 A 50 50 TRP N N 50 123.066 118.694 4.372 2
1 188 . 1 1 A 51 51 ASP H H 51 7.684 7.945 -0.261 2
1 189 . 1 1 A 51 51 ASP CA C 51 52.030 55.364 -3.334 2
1 190 . 1 1 A 51 51 ASP CB C 51 38.310 41.687 -3.377 2
1 191 . 1 1 A 51 51 ASP N N 51 121.188 119.992 1.196 2
1 192 . 1 1 A 52 52 SER CA C 52 58.070 61.898 -3.828 2
1 193 . 1 1 A 52 52 SER CB C 52 63.050 63.209 -0.159 2
1 194 . 1 1 A 53 53 VAL H H 53 8.218 7.731 0.487 2
1 195 . 1 1 A 53 53 VAL CA C 53 63.010 65.508 -2.498 2
1 196 . 1 1 A 53 53 VAL CB C 53 31.630 31.477 0.153 2
1 197 . 1 1 A 53 53 VAL N N 53 123.612 118.566 5.046 2
1 198 . 1 1 A 54 54 THR H H 54 7.870 7.834 0.036 2
1 199 . 1 1 A 54 54 THR CA C 54 60.925 65.291 -4.366 2
1 200 . 1 1 A 54 54 THR CB C 54 69.247 68.902 0.345 2
1 201 . 1 1 A 54 54 THR N N 54 117.058 117.331 -0.273 2
1 202 . 1 1 A 55 55 SER H H 55 7.851 8.520 -0.669 2
1 203 . 1 1 A 55 55 SER CA C 55 55.240 61.690 -6.450 2
1 204 . 1 1 A 55 55 SER CB C 55 63.970 62.767 1.203 2
1 205 . 1 1 A 55 55 SER N N 55 124.463 116.901 7.562 2
1 206 . 1 1 A 56 56 THR H H 56 7.700 8.050 -0.350 2
1 207 . 1 1 A 56 56 THR CA C 56 66.040 66.411 -0.371 2
1 208 . 1 1 A 57 57 PHE H H 57 9.006 8.012 0.994 2
1 209 . 1 1 A 57 57 PHE CA C 57 60.590 60.477 0.113 2
1 210 . 1 1 A 57 57 PHE CB C 57 38.340 37.798 0.542 2
1 211 . 1 1 A 57 57 PHE N N 57 121.160 121.709 -0.549 2
1 212 . 1 1 A 58 58 SER H H 58 8.170 8.465 -0.295 2
1 213 . 1 1 A 58 58 SER CA C 58 61.510 61.559 -0.049 2
1 214 . 1 1 A 58 58 SER N N 58 116.192 116.276 -0.084 2
1 215 . 1 1 A 60 60 LEU CA C 60 57.090 56.924 0.166 2
1 216 . 1 1 A 60 60 LEU CB C 60 41.320 41.747 -0.427 2
1 217 . 1 1 A 61 61 ARG H H 61 8.152 8.023 0.129 2
1 218 . 1 1 A 61 61 ARG CA C 61 58.840 58.492 0.348 2
1 219 . 1 1 A 61 61 ARG CB C 61 27.850 30.089 -2.239 2
1 220 . 1 1 A 61 61 ARG N N 61 119.058 119.893 -0.835 2
1 221 . 1 1 A 62 62 GLU H H 62 7.579 8.123 -0.544 2
1 222 . 1 1 A 62 62 GLU CA C 62 58.230 58.304 -0.074 2
1 223 . 1 1 A 62 62 GLU CB C 62 28.540 30.016 -1.476 2
1 224 . 1 1 A 62 62 GLU N N 62 119.414 118.249 1.165 2
1 225 . 1 1 A 63 63 GLN H H 63 7.626 7.968 -0.342 2
1 226 . 1 1 A 63 63 GLN CA C 63 57.775 57.910 -0.135 2
1 227 . 1 1 A 63 63 GLN CB C 63 27.675 28.640 -0.965 2
1 228 . 1 1 A 63 63 GLN N N 63 118.836 118.215 0.621 2
1 229 . 1 1 A 64 64 LEU H H 64 8.055 7.876 0.179 2
1 230 . 1 1 A 64 64 LEU CA C 64 56.565 57.592 -1.027 2
1 231 . 1 1 A 64 64 LEU CB C 64 41.480 41.647 -0.167 2
1 232 . 1 1 A 64 64 LEU N N 64 119.807 119.545 0.262 2
1 233 . 1 1 A 65 65 GLY H H 65 7.154 8.290 -1.136 2
1 234 . 1 1 A 65 65 GLY CA C 65 44.150 48.236 -4.086 2
1 235 . 1 1 A 65 65 GLY N N 65 103.974 105.455 -1.481 2
1 236 . 1 1 A 66 66 PRO CA C 66 62.335 64.732 -2.397 2
1 237 . 1 1 A 66 66 PRO CB C 66 30.150 31.065 -0.915 2
1 238 . 1 1 A 67 67 VAL H H 67 8.155 7.230 0.925 2
1 239 . 1 1 A 67 67 VAL CA C 67 59.065 64.957 -5.892 2
1 240 . 1 1 A 67 67 VAL CB C 67 33.617 31.328 2.289 2
1 241 . 1 1 A 67 67 VAL N N 67 116.826 116.496 0.330 2
1 242 . 1 1 A 68 68 THR H H 68 7.670 8.078 -0.408 2
1 243 . 1 1 A 68 68 THR CA C 68 59.285 65.449 -6.164 2
1 244 . 1 1 A 68 68 THR CB C 68 71.610 67.912 3.698 2
1 245 . 1 1 A 68 68 THR N N 68 112.295 112.150 0.145 2
1 246 . 1 1 A 69 69 GLN H H 69 8.765 7.735 1.030 2
1 247 . 1 1 A 69 69 GLN CA C 69 58.190 58.715 -0.525 2
1 248 . 1 1 A 69 69 GLN CB C 69 27.330 28.606 -1.276 2
1 249 . 1 1 A 69 69 GLN N N 69 119.600 120.250 -0.650 2
1 250 . 1 1 A 70 70 GLU H H 70 8.339 7.880 0.459 2
1 251 . 1 1 A 70 70 GLU CA C 70 59.483 58.216 1.267 2
1 252 . 1 1 A 70 70 GLU CB C 70 28.410 29.632 -1.222 2
1 253 . 1 1 A 70 70 GLU N N 70 117.757 119.680 -1.923 2
1 254 . 1 1 A 71 71 PHE H H 71 7.166 8.116 -0.950 2
1 255 . 1 1 A 71 71 PHE CA C 71 60.233 60.677 -0.444 2
1 256 . 1 1 A 71 71 PHE CB C 71 38.065 39.384 -1.319 2
1 257 . 1 1 A 71 71 PHE N N 71 119.423 121.821 -2.398 2
1 258 . 1 1 A 72 72 TRP H H 72 6.749 7.734 -0.985 2
1 259 . 1 1 A 72 72 TRP CA C 72 57.865 59.714 -1.849 2
1 260 . 1 1 A 72 72 TRP CB C 72 28.500 29.459 -0.959 2
1 261 . 1 1 A 72 72 TRP N N 72 119.591 117.658 1.933 2
1 262 . 1 1 A 73 73 ASP H H 73 8.550 8.037 0.513 2
1 263 . 1 1 A 73 73 ASP CA C 73 56.745 56.803 -0.058 2
1 264 . 1 1 A 73 73 ASP CB C 73 39.275 40.759 -1.484 2
1 265 . 1 1 A 73 73 ASP N N 73 122.112 118.458 3.654 2
1 266 . 1 1 A 74 74 ASN H H 74 8.343 8.121 0.222 2
1 267 . 1 1 A 74 74 ASN CA C 74 54.843 55.578 -0.735 2
1 268 . 1 1 A 74 74 ASN CB C 74 37.007 38.590 -1.583 2
1 269 . 1 1 A 74 74 ASN N N 74 121.697 117.866 3.831 2
1 270 . 1 1 A 75 75 LEU H H 75 8.672 7.749 0.923 2
1 271 . 1 1 A 75 75 LEU CA C 75 57.635 55.111 2.524 2
1 272 . 1 1 A 75 75 LEU CB C 75 39.270 41.853 -2.583 2
1 273 . 1 1 A 75 75 LEU N N 75 122.675 117.665 5.010 2
1 274 . 1 1 A 76 76 GLU H H 76 7.914 8.132 -0.218 2
1 275 . 1 1 A 76 76 GLU CA C 76 59.060 58.750 0.310 2
1 276 . 1 1 A 76 76 GLU CB C 76 28.500 29.728 -1.228 2
1 277 . 1 1 A 76 76 GLU N N 76 120.581 120.061 0.520 2
1 278 . 1 1 A 77 77 LYS H H 77 7.515 7.838 -0.323 2
1 279 . 1 1 A 77 77 LYS CA C 77 58.457 58.075 0.382 2
1 280 . 1 1 A 77 77 LYS CB C 77 32.020 32.646 -0.626 2
1 281 . 1 1 A 77 77 LYS N N 77 118.867 118.826 0.041 2
1 282 . 1 1 A 78 78 GLU H H 78 8.034 8.223 -0.189 2
1 283 . 1 1 A 78 78 GLU CA C 78 55.187 59.220 -4.033 2
1 284 . 1 1 A 78 78 GLU CB C 78 28.790 29.011 -0.221 2
1 285 . 1 1 A 78 78 GLU N N 78 116.835 118.405 -1.570 2
1 286 . 1 1 A 79 79 THR H H 79 7.459 8.012 -0.553 2
1 287 . 1 1 A 79 79 THR CA C 79 68.580 64.586 3.994 2
1 288 . 1 1 A 79 79 THR N N 79 118.459 116.038 2.421 2
1 289 . 1 1 A 80 80 GLU H H 80 8.618 8.077 0.541 2
1 290 . 1 1 A 80 80 GLU CA C 80 59.545 58.866 0.679 2
1 291 . 1 1 A 80 80 GLU CB C 80 27.770 29.390 -1.620 2
1 292 . 1 1 A 80 80 GLU N N 80 120.946 121.219 -0.273 2
1 293 . 1 1 A 81 81 GLY H H 81 8.148 8.086 0.062 2
1 294 . 1 1 A 81 81 GLY CA C 81 46.420 46.516 -0.096 2
1 295 . 1 1 A 81 81 GLY N N 81 109.519 109.883 -0.364 2
1 296 . 1 1 A 82 82 LEU H H 82 8.395 8.077 0.318 2
1 297 . 1 1 A 82 82 LEU CA C 82 58.135 56.728 1.407 2
1 298 . 1 1 A 82 82 LEU CB C 82 41.085 41.901 -0.816 2
1 299 . 1 1 A 82 82 LEU N N 82 124.679 122.900 1.779 2
1 300 . 1 1 A 83 83 ARG H H 83 8.375 8.096 0.279 2
1 301 . 1 1 A 83 83 ARG CA C 83 59.670 59.857 -0.187 2
1 302 . 1 1 A 83 83 ARG CB C 83 29.100 29.721 -0.621 2
1 303 . 1 1 A 83 83 ARG N N 83 119.026 120.902 -1.876 2
1 304 . 1 1 A 84 84 GLN H H 84 7.684 7.822 -0.138 2
1 305 . 1 1 A 84 84 GLN CA C 84 58.575 58.227 0.348 2
1 306 . 1 1 A 84 84 GLN CB C 84 27.480 29.517 -2.037 2
1 307 . 1 1 A 84 84 GLN N N 84 119.187 117.780 1.407 2
1 308 . 1 1 A 85 85 GLU H H 85 8.079 7.979 0.100 2
1 309 . 1 1 A 85 85 GLU CA C 85 58.527 58.118 0.409 2
1 310 . 1 1 A 85 85 GLU CB C 85 27.970 30.570 -2.600 2
1 311 . 1 1 A 85 85 GLU N N 85 119.518 118.793 0.725 2
1 312 . 1 1 A 86 86 MET H H 86 8.596 7.544 1.052 2
1 313 . 1 1 A 86 86 MET CA C 86 55.197 54.977 0.220 2
1 314 . 1 1 A 86 86 MET CB C 86 27.813 33.784 -5.971 2
1 315 . 1 1 A 86 86 MET N N 86 117.520 116.963 0.557 2
1 316 . 1 1 A 87 87 SER H H 87 8.136 8.634 -0.498 2
1 317 . 1 1 A 87 87 SER CA C 87 61.910 58.896 3.014 2
1 318 . 1 1 A 87 87 SER CB C 87 63.200 63.258 -0.058 2
1 319 . 1 1 A 87 87 SER N N 87 115.854 116.217 -0.363 2
1 320 . 1 1 A 88 88 LYS H H 88 7.255 8.768 -1.513 2
1 321 . 1 1 A 88 88 LYS CA C 88 58.945 54.314 4.631 2
1 322 . 1 1 A 88 88 LYS CB C 88 30.850 35.935 -5.085 2
1 323 . 1 1 A 88 88 LYS N N 88 123.206 122.424 0.782 2
1 324 . 1 1 A 89 89 ASP H H 89 7.729 8.874 -1.145 2
1 325 . 1 1 A 89 89 ASP CA C 89 57.415 54.383 3.032 2
1 326 . 1 1 A 89 89 ASP CB C 89 40.150 42.683 -2.533 2
1 327 . 1 1 A 89 89 ASP N N 89 121.884 122.999 -1.115 2
1 328 . 1 1 A 90 90 LEU H H 90 8.690 8.795 -0.105 2
1 329 . 1 1 A 90 90 LEU CA C 90 57.860 57.278 0.582 2
1 330 . 1 1 A 90 90 LEU CB C 90 40.450 42.281 -1.831 2
1 331 . 1 1 A 90 90 LEU N N 90 120.905 128.495 -7.590 2
1 332 . 1 1 A 91 91 GLU H H 91 8.165 7.664 0.501 2
1 333 . 1 1 A 91 91 GLU CA C 91 59.020 56.838 2.182 2
1 334 . 1 1 A 91 91 GLU CB C 91 28.295 30.122 -1.827 2
1 335 . 1 1 A 91 91 GLU N N 91 119.004 118.152 0.852 2
1 336 . 1 1 A 92 92 GLU H H 92 7.829 7.770 0.059 2
1 337 . 1 1 A 92 92 GLU CA C 92 58.845 55.663 3.182 2
1 338 . 1 1 A 92 92 GLU CB C 92 28.695 29.969 -1.274 2
1 339 . 1 1 A 92 92 GLU N N 92 120.586 119.072 1.514 2
1 340 . 1 1 A 93 93 VAL H H 93 8.242 7.803 0.439 2
1 341 . 1 1 A 93 93 VAL CA C 93 66.570 65.780 0.790 2
1 342 . 1 1 A 93 93 VAL CB C 93 30.740 31.908 -1.168 2
1 343 . 1 1 A 93 93 VAL N N 93 121.110 120.026 1.084 2
1 344 . 1 1 A 94 94 LYS H H 94 9.272 8.136 1.136 2
1 345 . 1 1 A 94 94 LYS CA C 94 60.080 59.012 1.068 2
1 346 . 1 1 A 94 94 LYS CB C 94 31.095 32.218 -1.123 2
1 347 . 1 1 A 94 94 LYS N N 94 121.183 119.730 1.453 2
1 348 . 1 1 A 95 95 ALA H H 95 7.354 7.811 -0.457 2
1 349 . 1 1 A 95 95 ALA CA C 95 54.125 53.140 0.985 2
1 350 . 1 1 A 95 95 ALA CB C 95 16.973 19.171 -2.198 2
1 351 . 1 1 A 95 95 ALA N N 95 119.867 122.313 -2.446 2
1 352 . 1 1 A 96 96 LYS H H 96 7.367 7.624 -0.257 2
1 353 . 1 1 A 96 96 LYS CA C 96 57.780 57.266 0.514 2
1 354 . 1 1 A 96 96 LYS CB C 96 31.715 32.734 -1.019 2
1 355 . 1 1 A 96 96 LYS N N 96 117.520 115.990 1.530 2
1 356 . 1 1 A 97 97 VAL H H 97 7.509 7.903 -0.394 2
1 357 . 1 1 A 97 97 VAL CA C 97 61.827 66.552 -4.725 2
1 358 . 1 1 A 97 97 VAL CB C 97 31.565 31.783 -0.218 2
1 359 . 1 1 A 97 97 VAL N N 97 112.494 120.077 -7.583 2
1 360 . 1 1 A 98 98 GLN H H 98 7.649 8.022 -0.373 2
1 361 . 1 1 A 98 98 GLN CA C 98 59.230 60.447 -1.217 2
1 362 . 1 1 A 98 98 GLN CB C 98 24.730 27.380 -2.650 2
1 363 . 1 1 A 98 98 GLN N N 98 123.317 118.889 4.428 2
1 364 . 1 1 A 99 99 PRO CA C 99 65.520 65.642 -0.122 2
1 365 . 1 1 A 99 99 PRO CB C 99 30.065 30.808 -0.743 2
1 366 . 1 1 A 100 100 TYR H H 100 7.271 7.671 -0.400 2
1 367 . 1 1 A 100 100 TYR CA C 100 60.110 61.620 -1.510 2
1 368 . 1 1 A 100 100 TYR CB C 100 36.625 38.717 -2.092 2
1 369 . 1 1 A 100 100 TYR N N 100 116.023 119.194 -3.171 2
1 370 . 1 1 A 101 101 LEU H H 101 7.419 7.999 -0.580 2
1 371 . 1 1 A 101 101 LEU CA C 101 57.470 57.198 0.272 2
1 372 . 1 1 A 101 101 LEU CB C 101 38.265 41.861 -3.596 2
1 373 . 1 1 A 101 101 LEU N N 101 122.812 119.826 2.986 2
1 374 . 1 1 A 102 102 ASP H H 102 8.447 8.191 0.256 2
1 375 . 1 1 A 102 102 ASP CA C 102 56.855 56.480 0.375 2
1 376 . 1 1 A 102 102 ASP CB C 102 39.580 40.927 -1.347 2
1 377 . 1 1 A 102 102 ASP N N 102 119.801 119.275 0.526 2
1 378 . 1 1 A 103 103 ASP H H 103 8.008 8.207 -0.199 2
1 379 . 1 1 A 103 103 ASP CA C 103 56.750 56.219 0.531 2
1 380 . 1 1 A 103 103 ASP CB C 103 40.873 40.837 0.036 2
1 381 . 1 1 A 103 103 ASP N N 103 121.079 118.797 2.282 2
1 382 . 1 1 A 104 104 PHE H H 104 7.943 7.664 0.279 2
1 383 . 1 1 A 104 104 PHE CA C 104 60.960 60.910 0.050 2
1 384 . 1 1 A 104 104 PHE CB C 104 38.210 39.444 -1.234 2
1 385 . 1 1 A 104 104 PHE N N 104 121.273 117.739 3.534 2
1 386 . 1 1 A 105 105 GLN H H 105 8.096 8.470 -0.374 2
1 387 . 1 1 A 105 105 GLN CA C 105 57.740 58.625 -0.885 2
1 388 . 1 1 A 105 105 GLN CB C 105 28.510 28.759 -0.249 2
1 389 . 1 1 A 105 105 GLN N N 105 119.106 121.599 -2.493 2
1 390 . 1 1 A 106 106 LYS H H 106 7.699 7.926 -0.227 2
1 391 . 1 1 A 106 106 LYS CA C 106 58.555 58.971 -0.416 2
1 392 . 1 1 A 106 106 LYS CB C 106 31.430 31.959 -0.529 2
1 393 . 1 1 A 106 106 LYS N N 106 118.912 119.751 -0.839 2
1 394 . 1 1 A 107 107 LYS H H 107 8.069 7.939 0.130 2
1 395 . 1 1 A 107 107 LYS CA C 107 58.410 58.617 -0.207 2
1 396 . 1 1 A 107 107 LYS CB C 107 30.560 32.099 -1.539 2
1 397 . 1 1 A 107 107 LYS N N 107 119.138 118.593 0.545 2
1 398 . 1 1 A 108 108 TRP CA C 108 53.600 59.747 -6.147 2
1 399 . 1 1 A 108 108 TRP CB C 108 25.880 30.360 -4.480 2
1 400 . 1 1 A 109 109 GLN H H 109 6.993 7.761 -0.768 2
1 401 . 1 1 A 109 109 GLN CA C 109 59.310 57.581 1.729 2
1 402 . 1 1 A 109 109 GLN CB C 109 26.260 28.988 -2.728 2
1 403 . 1 1 A 109 109 GLN N N 109 122.543 120.110 2.433 2
1 404 . 1 1 A 110 110 GLU H H 110 7.810 8.062 -0.252 2
1 405 . 1 1 A 110 110 GLU CA C 110 55.020 58.430 -3.410 2
1 406 . 1 1 A 110 110 GLU CB C 110 29.000 29.793 -0.793 2
1 407 . 1 1 A 110 110 GLU N N 110 121.665 119.107 2.558 2
1 408 . 1 1 A 111 111 GLU H H 111 8.020 8.127 -0.107 2
1 409 . 1 1 A 111 111 GLU CA C 111 54.980 59.355 -4.375 2
1 410 . 1 1 A 111 111 GLU CB C 111 29.610 29.273 0.337 2
1 411 . 1 1 A 111 111 GLU N N 111 123.884 119.793 4.091 2
1 412 . 1 1 A 112 112 MET CA C 112 57.910 57.227 0.683 2
1 413 . 1 1 A 112 112 MET CB C 112 31.460 32.669 -1.209 2
1 414 . 1 1 A 113 113 GLU H H 113 7.718 7.953 -0.235 2
1 415 . 1 1 A 113 113 GLU CA C 113 57.950 58.777 -0.827 2
1 416 . 1 1 A 113 113 GLU CB C 113 27.960 29.692 -1.732 2
1 417 . 1 1 A 113 113 GLU N N 113 121.408 119.643 1.765 2
1 418 . 1 1 A 114 114 LEU H H 114 7.886 7.811 0.075 2
1 419 . 1 1 A 114 114 LEU CA C 114 57.375 55.938 1.437 2
1 420 . 1 1 A 114 114 LEU CB C 114 40.390 42.497 -2.107 2
1 421 . 1 1 A 114 114 LEU N N 114 121.656 118.608 3.048 2
1 422 . 1 1 A 115 115 TYR H H 115 8.181 7.855 0.326 2
1 423 . 1 1 A 115 115 TYR CA C 115 61.093 61.127 -0.034 2
1 424 . 1 1 A 115 115 TYR CB C 115 37.705 38.932 -1.227 2
1 425 . 1 1 A 115 115 TYR N N 115 120.736 119.436 1.300 2
1 426 . 1 1 A 116 116 ARG H H 116 8.308 7.827 0.481 2
1 427 . 1 1 A 116 116 ARG CA C 116 59.010 58.201 0.809 2
1 428 . 1 1 A 116 116 ARG CB C 116 28.790 30.476 -1.686 2
1 429 . 1 1 A 116 116 ARG N N 116 120.099 120.514 -0.415 2
1 430 . 1 1 A 117 117 GLN H H 117 7.819 8.002 -0.183 2
1 431 . 1 1 A 117 117 GLN CA C 117 57.590 57.434 0.156 2
1 432 . 1 1 A 117 117 GLN CB C 117 27.910 29.013 -1.103 2
1 433 . 1 1 A 117 117 GLN N N 117 115.959 117.301 -1.342 2
1 434 . 1 1 A 118 118 LYS H H 118 7.710 7.739 -0.029 2
1 435 . 1 1 A 118 118 LYS CA C 118 57.240 57.187 0.053 2
1 436 . 1 1 A 118 118 LYS CB C 118 32.330 33.130 -0.800 2
1 437 . 1 1 A 118 118 LYS N N 118 118.479 118.452 0.027 2
1 438 . 1 1 A 119 119 VAL H H 119 7.758 7.793 -0.035 2
1 439 . 1 1 A 119 119 VAL CA C 119 62.490 65.609 -3.119 2
1 440 . 1 1 A 119 119 VAL CB C 119 31.185 31.027 0.158 2
1 441 . 1 1 A 119 119 VAL N N 119 115.592 119.551 -3.959 2
1 442 . 1 1 A 120 120 GLU H H 120 8.299 8.187 0.112 2
1 443 . 1 1 A 120 120 GLU CA C 120 55.340 61.417 -6.077 2
1 444 . 1 1 A 120 120 GLU CB C 120 28.960 28.068 0.892 2
1 445 . 1 1 A 120 120 GLU N N 120 120.967 121.154 -0.187 2
1 446 . 1 1 A 121 121 PRO CA C 121 64.280 67.074 -2.794 2
1 447 . 1 1 A 121 121 PRO CB C 121 30.420 30.726 -0.306 2
1 448 . 1 1 A 122 122 LEU H H 122 7.338 8.524 -1.186 2
1 449 . 1 1 A 122 122 LEU CA C 122 55.585 57.102 -1.517 2
1 450 . 1 1 A 122 122 LEU CB C 122 40.750 41.089 -0.339 2
1 451 . 1 1 A 122 122 LEU N N 122 118.837 116.196 2.641 2
1 452 . 1 1 A 123 123 ARG H H 123 7.948 8.154 -0.206 2
1 453 . 1 1 A 123 123 ARG CA C 123 57.180 59.523 -2.343 2
1 454 . 1 1 A 123 123 ARG CB C 123 29.205 30.065 -0.860 2
1 455 . 1 1 A 123 123 ARG N N 123 120.148 119.604 0.544 2
1 456 . 1 1 A 124 124 ALA H H 124 7.980 8.006 -0.026 2
1 457 . 1 1 A 124 124 ALA CA C 124 53.447 54.932 -1.485 2
1 458 . 1 1 A 124 124 ALA CB C 124 17.713 18.310 -0.597 2
1 459 . 1 1 A 124 124 ALA N N 124 123.128 120.529 2.599 2
1 460 . 1 1 A 125 125 GLU H H 125 7.914 7.748 0.166 2
1 461 . 1 1 A 125 125 GLU CA C 125 56.910 58.343 -1.433 2
1 462 . 1 1 A 125 125 GLU CB C 125 28.935 29.261 -0.326 2
1 463 . 1 1 A 125 125 GLU N N 125 118.790 117.782 1.008 2
1 464 . 1 1 A 126 126 LEU H H 126 7.818 8.179 -0.361 2
1 465 . 1 1 A 126 126 LEU CA C 126 55.145 57.415 -2.270 2
1 466 . 1 1 A 126 126 LEU CB C 126 41.090 41.396 -0.306 2
1 467 . 1 1 A 126 126 LEU N N 126 121.446 120.568 0.878 2
1 468 . 1 1 A 127 127 GLN H H 127 7.994 8.284 -0.290 2
1 469 . 1 1 A 127 127 GLN CA C 127 55.775 59.065 -3.290 2
1 470 . 1 1 A 127 127 GLN CB C 127 28.375 28.662 -0.287 2
1 471 . 1 1 A 127 127 GLN N N 127 120.076 118.569 1.507 2
1 472 . 1 1 A 128 128 GLU H H 128 8.178 8.228 -0.050 2
1 473 . 1 1 A 128 128 GLU CA C 128 55.210 58.221 -3.011 2
1 474 . 1 1 A 128 128 GLU CB C 128 31.150 29.939 1.211 2
1 475 . 1 1 A 128 128 GLU N N 128 121.672 117.872 3.800 2
1 476 . 1 1 A 129 129 GLY H H 129 8.303 8.216 0.087 2
1 477 . 1 1 A 129 129 GLY CA C 129 44.867 46.856 -1.989 2
1 478 . 1 1 A 129 129 GLY N N 129 109.742 109.634 0.108 2
1 479 . 1 1 A 130 130 ALA H H 130 8.054 7.979 0.075 2
1 480 . 1 1 A 130 130 ALA CA C 130 52.293 54.463 -2.170 2
1 481 . 1 1 A 130 130 ALA CB C 130 18.127 18.323 -0.196 2
1 482 . 1 1 A 130 130 ALA N N 130 124.540 124.636 -0.096 2
1 483 . 1 1 A 131 131 ARG H H 131 8.130 7.561 0.569 2
1 484 . 1 1 A 131 131 ARG CA C 131 55.930 58.539 -2.609 2
1 485 . 1 1 A 131 131 ARG CB C 131 29.510 30.055 -0.545 2
1 486 . 1 1 A 131 131 ARG N N 131 120.454 117.205 3.249 2
1 487 . 1 1 A 132 132 GLN H H 132 8.285 7.851 0.434 2
1 488 . 1 1 A 132 132 GLN CA C 132 55.785 58.456 -2.671 2
1 489 . 1 1 A 132 132 GLN CB C 132 29.425 28.311 1.114 2
1 490 . 1 1 A 132 132 GLN N N 132 122.450 118.624 3.826 2
1 491 . 1 1 A 133 133 LYS H H 133 7.888 7.788 0.100 2
1 492 . 1 1 A 133 133 LYS CA C 133 57.450 59.433 -1.983 2
1 493 . 1 1 A 133 133 LYS CB C 133 31.420 32.162 -0.742 2
1 494 . 1 1 A 133 133 LYS N N 133 121.174 119.622 1.552 2
1 495 . 1 1 A 134 134 LEU CA C 134 54.910 58.007 -3.097 2
1 496 . 1 1 A 134 134 LEU CB C 134 40.970 41.995 -1.025 2
1 497 . 1 1 A 135 135 HIS H H 135 8.079 8.053 0.026 2
1 498 . 1 1 A 135 135 HIS CA C 135 52.400 59.944 -7.544 2
1 499 . 1 1 A 135 135 HIS CB C 135 31.850 29.639 2.211 2
1 500 . 1 1 A 135 135 HIS N N 135 124.577 116.737 7.840 2
1 501 . 1 1 A 136 136 GLU CA C 136 57.560 58.951 -1.391 2
1 502 . 1 1 A 136 136 GLU CB C 136 29.310 29.821 -0.511 2
1 503 . 1 1 A 137 137 LEU H H 137 7.958 7.883 0.075 2
1 504 . 1 1 A 137 137 LEU CA C 137 56.293 56.847 -0.554 2
1 505 . 1 1 A 137 137 LEU CB C 137 40.775 42.528 -1.753 2
1 506 . 1 1 A 137 137 LEU N N 137 121.497 119.339 2.158 2
1 507 . 1 1 A 138 138 GLN H H 138 8.133 7.423 0.710 2
1 508 . 1 1 A 138 138 GLN CA C 138 57.320 54.518 2.802 2
1 509 . 1 1 A 138 138 GLN CB C 138 27.765 27.369 0.396 2
1 510 . 1 1 A 138 138 GLN N N 138 119.521 117.793 1.728 2
1 511 . 1 1 A 139 139 GLU H H 139 8.020 8.629 -0.609 2
1 512 . 1 1 A 139 139 GLU CA C 139 57.520 59.146 -1.626 2
1 513 . 1 1 A 139 139 GLU CB C 139 29.435 29.190 0.245 2
1 514 . 1 1 A 139 139 GLU N N 139 120.200 123.914 -3.714 2
1 515 . 1 1 A 140 140 LYS H H 140 8.046 7.979 0.067 2
1 516 . 1 1 A 140 140 LYS CA C 140 55.910 55.831 0.079 2
1 517 . 1 1 A 140 140 LYS CB C 140 31.340 34.263 -2.923 2
1 518 . 1 1 A 140 140 LYS N N 140 121.602 118.149 3.453 2
1 519 . 1 1 A 143 143 PRO CA C 143 64.830 63.044 1.786 2
1 520 . 1 1 A 143 143 PRO CB C 143 30.150 32.482 -2.332 2
1 521 . 1 1 A 144 144 LEU H H 144 7.420 8.452 -1.032 2
1 522 . 1 1 A 144 144 LEU CA C 144 56.805 58.474 -1.669 2
1 523 . 1 1 A 144 144 LEU CB C 144 40.823 42.189 -1.366 2
1 524 . 1 1 A 144 144 LEU N N 144 119.224 124.192 -4.968 2
1 525 . 1 1 A 145 145 GLY H H 145 8.099 8.085 0.014 2
1 526 . 1 1 A 145 145 GLY CA C 145 46.788 47.075 -0.287 2
1 527 . 1 1 A 145 145 GLY N N 145 108.589 107.615 0.974 2
1 528 . 1 1 A 146 146 GLU H H 146 8.014 8.730 -0.716 2
1 529 . 1 1 A 146 146 GLU CA C 146 58.610 59.592 -0.982 2
1 530 . 1 1 A 146 146 GLU CB C 146 28.490 29.889 -1.399 2
1 531 . 1 1 A 146 146 GLU N N 146 121.920 125.833 -3.913 2
1 532 . 1 1 A 147 147 GLU CA C 147 58.660 59.573 -0.913 2
1 533 . 1 1 A 147 147 GLU CB C 147 28.700 29.226 -0.526 2
1 534 . 1 1 A 148 148 MET H H 148 7.999 8.441 -0.442 2
1 535 . 1 1 A 148 148 MET CA C 148 57.053 59.318 -2.265 2
1 536 . 1 1 A 148 148 MET CB C 148 31.050 32.686 -1.636 2
1 537 . 1 1 A 148 148 MET N N 148 118.582 119.334 -0.752 2
1 538 . 1 1 A 149 149 ARG H H 149 8.234 7.906 0.328 2
1 539 . 1 1 A 149 149 ARG CA C 149 58.720 58.770 -0.050 2
1 540 . 1 1 A 149 149 ARG CB C 149 29.220 29.837 -0.617 2
1 541 . 1 1 A 149 149 ARG N N 149 121.656 118.709 2.947 2
1 542 . 1 1 A 150 150 ASP H H 150 7.965 8.008 -0.043 2
1 543 . 1 1 A 150 150 ASP CA C 150 55.690 56.626 -0.936 2
1 544 . 1 1 A 150 150 ASP CB C 150 39.625 40.606 -0.981 2
1 545 . 1 1 A 150 150 ASP N N 150 120.750 119.042 1.708 2
1 546 . 1 1 A 151 151 ARG H H 151 8.234 8.036 0.198 2
1 547 . 1 1 A 151 151 ARG CA C 151 56.015 59.253 -3.238 2
1 548 . 1 1 A 151 151 ARG CB C 151 29.315 30.044 -0.729 2
1 549 . 1 1 A 151 151 ARG N N 151 122.154 120.854 1.300 2
1 550 . 1 1 A 152 152 ALA H H 152 8.440 7.970 0.470 2
1 551 . 1 1 A 152 152 ALA CA C 152 55.295 55.004 0.291 2
1 552 . 1 1 A 152 152 ALA CB C 152 18.985 18.373 0.612 2
1 553 . 1 1 A 152 152 ALA N N 152 122.031 121.925 0.106 2
1 554 . 1 1 A 153 153 ARG H H 153 7.741 7.956 -0.215 2
1 555 . 1 1 A 153 153 ARG CA C 153 58.795 59.334 -0.539 2
1 556 . 1 1 A 153 153 ARG CB C 153 28.755 29.915 -1.160 2
1 557 . 1 1 A 153 153 ARG N N 153 116.942 118.283 -1.341 2
1 558 . 1 1 A 154 154 ALA H H 154 7.748 8.010 -0.262 2
1 559 . 1 1 A 154 154 ALA CA C 154 54.727 54.884 -0.157 2
1 560 . 1 1 A 154 154 ALA CB C 154 16.600 18.229 -1.629 2
1 561 . 1 1 A 154 154 ALA N N 154 122.424 121.873 0.551 2
1 562 . 1 1 A 155 155 HIS H H 155 8.371 7.831 0.540 2
1 563 . 1 1 A 155 155 HIS CA C 155 58.365 59.765 -1.400 2
1 564 . 1 1 A 155 155 HIS CB C 155 30.180 30.665 -0.485 2
1 565 . 1 1 A 155 155 HIS N N 155 119.987 115.690 4.297 2
1 566 . 1 1 A 156 156 VAL H H 156 8.244 7.936 0.308 2
1 567 . 1 1 A 156 156 VAL CA C 156 66.895 66.258 0.637 2
1 568 . 1 1 A 156 156 VAL CB C 156 30.830 31.706 -0.876 2
1 569 . 1 1 A 156 156 VAL N N 156 122.072 119.516 2.556 2
1 570 . 1 1 A 157 157 ASP H H 157 8.777 8.219 0.558 2
1 571 . 1 1 A 157 157 ASP CA C 157 57.233 56.993 0.240 2
1 572 . 1 1 A 157 157 ASP CB C 157 39.770 40.432 -0.662 2
1 573 . 1 1 A 157 157 ASP N N 157 122.087 120.771 1.316 2
1 574 . 1 1 A 158 158 ALA H H 158 8.182 7.891 0.291 2
1 575 . 1 1 A 158 158 ALA CA C 158 54.540 54.295 0.245 2
1 576 . 1 1 A 158 158 ALA CB C 158 16.927 18.565 -1.638 2
1 577 . 1 1 A 158 158 ALA N N 158 122.748 122.178 0.570 2
1 578 . 1 1 A 159 159 LEU H H 159 7.712 7.971 -0.259 2
1 579 . 1 1 A 159 159 LEU CA C 159 57.880 56.553 1.327 2
1 580 . 1 1 A 159 159 LEU CB C 159 40.070 41.586 -1.516 2
1 581 . 1 1 A 159 159 LEU N N 159 121.122 119.448 1.674 2
1 582 . 1 1 A 160 160 ARG H H 160 8.565 8.107 0.458 2
1 583 . 1 1 A 160 160 ARG CA C 160 59.540 59.076 0.464 2
1 584 . 1 1 A 160 160 ARG CB C 160 28.930 30.116 -1.186 2
1 585 . 1 1 A 160 160 ARG N N 160 119.841 120.369 -0.528 2
1 586 . 1 1 A 161 161 THR H H 161 8.092 7.707 0.385 2
1 587 . 1 1 A 161 161 THR CA C 161 65.517 64.695 0.822 2
1 588 . 1 1 A 161 161 THR CB C 161 68.190 68.939 -0.749 2
1 589 . 1 1 A 161 161 THR N N 161 115.177 115.854 -0.677 2
1 590 . 1 1 A 162 162 HIS H H 162 8.094 7.880 0.214 2
1 591 . 1 1 A 162 162 HIS CA C 162 58.020 59.188 -1.168 2
1 592 . 1 1 A 162 162 HIS CB C 162 28.885 30.099 -1.214 2
1 593 . 1 1 A 162 162 HIS N N 162 121.449 118.250 3.199 2
1 594 . 1 1 A 163 163 LEU H H 163 7.882 8.096 -0.214 2
1 595 . 1 1 A 163 163 LEU CA C 163 56.730 57.095 -0.365 2
1 596 . 1 1 A 163 163 LEU CB C 163 41.407 41.478 -0.071 2
1 597 . 1 1 A 163 163 LEU N N 163 114.939 121.984 -7.045 2
1 598 . 1 1 A 164 164 ALA H H 164 7.322 8.260 -0.938 2
1 599 . 1 1 A 164 164 ALA CA C 164 56.570 56.895 -0.325 2
1 600 . 1 1 A 164 164 ALA CB C 164 14.900 17.396 -2.496 2
1 601 . 1 1 A 164 164 ALA N N 164 121.629 121.385 0.244 2
1 602 . 1 1 A 165 165 PRO CA C 165 64.880 66.127 -1.247 2
1 603 . 1 1 A 165 165 PRO CB C 165 29.925 30.448 -0.523 2
1 604 . 1 1 A 166 166 TYR H H 166 7.119 8.214 -1.095 2
1 605 . 1 1 A 166 166 TYR CA C 166 61.205 59.858 1.347 2
1 606 . 1 1 A 166 166 TYR CB C 166 37.197 36.812 0.385 2
1 607 . 1 1 A 166 166 TYR N N 166 118.539 116.041 2.498 2
1 608 . 1 1 A 167 167 SER H H 167 8.006 8.482 -0.476 2
1 609 . 1 1 A 167 167 SER CA C 167 62.460 61.472 0.988 2
1 610 . 1 1 A 167 167 SER N N 167 118.241 116.447 1.794 2
1 611 . 1 1 A 168 168 ASP CA C 168 57.025 56.294 0.731 2
1 612 . 1 1 A 168 168 ASP CB C 168 39.670 40.881 -1.211 2
1 613 . 1 1 A 169 169 GLU H H 169 7.837 8.020 -0.183 2
1 614 . 1 1 A 169 169 GLU CA C 169 59.030 57.589 1.441 2
1 615 . 1 1 A 169 169 GLU CB C 169 28.155 30.099 -1.944 2
1 616 . 1 1 A 169 169 GLU N N 169 121.623 118.512 3.111 2
1 617 . 1 1 A 170 170 LEU H H 170 7.898 7.995 -0.097 2
1 618 . 1 1 A 170 170 LEU CA C 170 57.845 56.924 0.921 2
1 619 . 1 1 A 170 170 LEU CB C 170 41.355 42.416 -1.061 2
1 620 . 1 1 A 170 170 LEU N N 170 119.634 122.535 -2.901 2
1 621 . 1 1 A 171 171 ARG H H 171 8.302 8.130 0.172 2
1 622 . 1 1 A 171 171 ARG CA C 171 60.020 58.697 1.323 2
1 623 . 1 1 A 171 171 ARG CB C 171 27.870 29.840 -1.970 2
1 624 . 1 1 A 171 171 ARG N N 171 120.504 119.511 0.993 2
1 625 . 1 1 A 172 172 GLN H H 172 8.536 7.860 0.676 2
1 626 . 1 1 A 172 172 GLN CA C 172 58.170 58.879 -0.709 2
1 627 . 1 1 A 172 172 GLN CB C 172 27.180 28.078 -0.898 2
1 628 . 1 1 A 172 172 GLN N N 172 118.904 118.324 0.580 2
1 629 . 1 1 A 173 173 ARG H H 173 8.357 7.927 0.430 2
1 630 . 1 1 A 173 173 ARG CA C 173 58.860 58.738 0.122 2
1 631 . 1 1 A 173 173 ARG CB C 173 28.730 29.962 -1.232 2
1 632 . 1 1 A 173 173 ARG N N 173 121.587 119.434 2.153 2
1 633 . 1 1 A 174 174 LEU H H 174 8.061 8.095 -0.034 2
1 634 . 1 1 A 174 174 LEU CA C 174 57.577 57.040 0.537 2
1 635 . 1 1 A 174 174 LEU CB C 174 39.887 40.964 -1.077 2
1 636 . 1 1 A 174 174 LEU N N 174 121.184 121.034 0.150 2
1 637 . 1 1 A 175 175 ALA H H 175 8.955 7.931 1.024 2
1 638 . 1 1 A 175 175 ALA CA C 175 55.430 54.750 0.680 2
1 639 . 1 1 A 175 175 ALA CB C 175 17.125 18.192 -1.067 2
1 640 . 1 1 A 175 175 ALA N N 175 121.682 121.807 -0.125 2
1 641 . 1 1 A 176 176 ALA H H 176 8.026 8.012 0.014 2
1 642 . 1 1 A 176 176 ALA CA C 176 54.400 54.657 -0.257 2
1 643 . 1 1 A 176 176 ALA CB C 176 17.110 18.411 -1.301 2
1 644 . 1 1 A 176 176 ALA N N 176 119.241 120.289 -1.048 2
1 645 . 1 1 A 177 177 ARG H H 177 7.540 7.726 -0.186 2
1 646 . 1 1 A 177 177 ARG CA C 177 58.805 57.891 0.914 2
1 647 . 1 1 A 177 177 ARG CB C 177 28.745 29.419 -0.674 2
1 648 . 1 1 A 177 177 ARG N N 177 118.554 118.151 0.403 2
1 649 . 1 1 A 178 178 LEU H H 178 8.135 8.193 -0.058 2
1 650 . 1 1 A 178 178 LEU CA C 178 56.865 57.900 -1.035 2
1 651 . 1 1 A 178 178 LEU CB C 178 40.750 41.043 -0.293 2
1 652 . 1 1 A 178 178 LEU N N 178 118.606 119.500 -0.894 2
1 653 . 1 1 A 179 179 GLU H H 179 8.824 8.541 0.283 2
1 654 . 1 1 A 179 179 GLU CA C 179 58.965 59.368 -0.403 2
1 655 . 1 1 A 179 179 GLU CB C 179 28.620 29.080 -0.460 2
1 656 . 1 1 A 179 179 GLU N N 179 120.916 118.112 2.804 2
1 657 . 1 1 A 180 180 ALA H H 180 7.095 7.841 -0.746 2
1 658 . 1 1 A 180 180 ALA CA C 180 53.325 54.633 -1.308 2
1 659 . 1 1 A 180 180 ALA CB C 180 17.335 18.457 -1.122 2
1 660 . 1 1 A 180 180 ALA N N 180 119.041 122.224 -3.183 2
1 661 . 1 1 A 181 181 LEU H H 181 7.494 8.243 -0.749 2
1 662 . 1 1 A 181 181 LEU CA C 181 54.570 57.370 -2.800 2
1 663 . 1 1 A 181 181 LEU CB C 181 40.140 41.417 -1.277 2
1 664 . 1 1 A 181 181 LEU N N 181 116.844 119.858 -3.014 2
1 665 . 1 1 A 182 182 LYS H H 182 7.390 8.207 -0.817 2
1 666 . 1 1 A 182 182 LYS CA C 182 57.647 59.736 -2.089 2
1 667 . 1 1 A 182 182 LYS CB C 182 32.275 32.433 -0.158 2
1 668 . 1 1 A 182 182 LYS N N 182 117.584 118.789 -1.205 2
1 669 . 1 1 A 183 183 GLU H H 183 7.972 8.028 -0.056 2
1 670 . 1 1 A 183 183 GLU CA C 183 55.790 59.187 -3.397 2
1 671 . 1 1 A 183 183 GLU CB C 183 29.635 29.838 -0.203 2
1 672 . 1 1 A 183 183 GLU N N 183 118.951 120.526 -1.575 2
1 673 . 1 1 A 184 184 ASN H H 184 8.503 8.030 0.473 2
1 674 . 1 1 A 184 184 ASN CA C 184 52.995 55.751 -2.756 2
1 675 . 1 1 A 184 184 ASN CB C 184 38.200 38.001 0.199 2
1 676 . 1 1 A 184 184 ASN N N 184 120.709 117.049 3.660 2
1 677 . 1 1 A 185 185 GLY H H 185 8.387 8.102 0.285 2
1 678 . 1 1 A 185 185 GLY CA C 185 45.215 47.116 -1.901 2
1 679 . 1 1 A 185 185 GLY N N 185 110.236 109.750 0.486 2
1 680 . 1 1 A 186 186 GLY H H 186 8.190 8.341 -0.151 2
1 681 . 1 1 A 186 186 GLY CA C 186 44.940 46.405 -1.465 2
1 682 . 1 1 A 186 186 GLY N N 186 109.722 109.978 -0.256 2
1 683 . 1 1 A 187 187 ALA H H 187 7.993 7.899 0.094 2
1 684 . 1 1 A 187 187 ALA CA C 187 52.275 53.306 -1.031 2
1 685 . 1 1 A 187 187 ALA CB C 187 18.120 19.061 -0.941 2
1 686 . 1 1 A 187 187 ALA N N 187 124.277 123.048 1.229 2
1 687 . 1 1 A 188 188 ARG H H 188 7.953 7.906 0.047 2
1 688 . 1 1 A 188 188 ARG CA C 188 55.100 58.271 -3.171 2
1 689 . 1 1 A 188 188 ARG CB C 188 28.470 30.078 -1.608 2
1 690 . 1 1 A 188 188 ARG N N 188 120.638 119.038 1.600 2
1 691 . 1 1 A 189 189 LEU CA C 189 54.430 54.745 -0.315 2
1 692 . 1 1 A 189 189 LEU CB C 189 41.180 42.023 -0.843 2
1 693 . 1 1 A 190 190 ALA H H 190 8.122 7.865 0.257 2
1 694 . 1 1 A 190 190 ALA CA C 190 51.750 55.135 -3.385 2
1 695 . 1 1 A 190 190 ALA CB C 190 18.160 18.650 -0.490 2
1 696 . 1 1 A 190 190 ALA N N 190 125.836 123.908 1.928 2
1 697 . 1 1 A 191 191 GLU H H 191 8.065 7.996 0.069 2
1 698 . 1 1 A 191 191 GLU CA C 191 53.805 58.011 -4.206 2
1 699 . 1 1 A 191 191 GLU CB C 191 29.330 31.456 -2.126 2
1 700 . 1 1 A 191 191 GLU N N 191 119.975 115.228 4.747 2
1 701 . 1 1 A 192 192 TYR H H 192 7.913 7.917 -0.004 2
1 702 . 1 1 A 192 192 TYR CA C 192 60.315 59.644 0.671 2
1 703 . 1 1 A 192 192 TYR CB C 192 37.750 40.760 -3.010 2
1 704 . 1 1 A 192 192 TYR N N 192 121.102 114.493 6.609 2
1 705 . 1 1 A 193 193 HIS H H 193 8.399 7.887 0.512 2
1 706 . 1 1 A 193 193 HIS CA C 193 56.210 56.739 -0.529 2
1 707 . 1 1 A 193 193 HIS CB C 193 29.170 32.121 -2.951 2
1 708 . 1 1 A 193 193 HIS N N 193 125.951 115.835 10.116 2
1 709 . 1 1 A 194 194 ALA CA C 194 51.670 52.814 -1.144 2
1 710 . 1 1 A 194 194 ALA CB C 194 18.280 17.733 0.547 2
1 711 . 1 1 A 195 195 LYS H H 195 8.198 8.260 -0.062 2
1 712 . 1 1 A 195 195 LYS CA C 195 56.453 56.020 0.433 2
1 713 . 1 1 A 195 195 LYS CB C 195 31.675 32.876 -1.201 2
1 714 . 1 1 A 195 195 LYS N N 195 123.198 118.670 4.528 2
1 715 . 1 1 A 196 196 ALA H H 196 8.079 8.024 0.055 2
1 716 . 1 1 A 196 196 ALA CA C 196 52.113 54.925 -2.812 2
1 717 . 1 1 A 196 196 ALA CB C 196 18.130 18.506 -0.376 2
1 718 . 1 1 A 196 196 ALA N N 196 121.873 123.810 -1.937 2
1 719 . 1 1 A 197 197 THR H H 197 7.911 7.924 -0.013 2
1 720 . 1 1 A 197 197 THR CA C 197 61.590 66.321 -4.731 2
1 721 . 1 1 A 197 197 THR CB C 197 69.120 68.646 0.474 2
1 722 . 1 1 A 197 197 THR N N 197 113.160 113.635 -0.475 2
1 723 . 1 1 A 198 198 GLU CA C 198 52.585 58.430 -5.845 2
1 724 . 1 1 A 198 198 GLU CB C 198 29.600 28.645 0.955 2
1 725 . 1 1 A 199 199 HIS H H 199 7.673 7.737 -0.064 2
1 726 . 1 1 A 199 199 HIS CA C 199 58.880 59.506 -0.626 2
1 727 . 1 1 A 199 199 HIS CB C 199 29.655 30.667 -1.012 2
1 728 . 1 1 A 199 199 HIS N N 199 121.694 117.684 4.010 2
1 729 . 1 1 A 200 200 LEU H H 200 8.180 8.061 0.119 2
1 730 . 1 1 A 200 200 LEU CA C 200 54.405 57.786 -3.381 2
1 731 . 1 1 A 200 200 LEU CB C 200 41.010 41.117 -0.107 2
1 732 . 1 1 A 200 200 LEU N N 200 118.748 120.414 -1.666 2
1 733 . 1 1 A 201 201 SER H H 201 7.761 8.054 -0.293 2
1 734 . 1 1 A 201 201 SER CA C 201 59.170 61.673 -2.503 2
1 735 . 1 1 A 201 201 SER CB C 201 63.967 62.490 1.477 2
1 736 . 1 1 A 201 201 SER N N 201 122.722 113.564 9.158 2
1 737 . 1 1 A 202 202 THR H H 202 7.697 8.098 -0.401 2
1 738 . 1 1 A 202 202 THR CA C 202 62.160 66.586 -4.426 2
1 739 . 1 1 A 202 202 THR CB C 202 69.700 68.561 1.139 2
1 740 . 1 1 A 202 202 THR N N 202 121.728 116.999 4.729 2
1 741 . 1 1 A 203 203 LEU H H 203 8.172 7.833 0.339 2
1 742 . 1 1 A 203 203 LEU CA C 203 56.350 57.139 -0.789 2
1 743 . 1 1 A 203 203 LEU CB C 203 40.925 41.675 -0.750 2
1 744 . 1 1 A 203 203 LEU N N 203 123.866 120.968 2.898 2
1 745 . 1 1 A 204 204 SER H H 204 8.118 8.035 0.083 2
1 746 . 1 1 A 204 204 SER CB C 204 69.240 63.137 6.103 2
1 747 . 1 1 A 204 204 SER N N 204 119.138 113.625 5.513 2
1 748 . 1 1 A 205 205 GLU CA C 205 57.505 58.571 -1.066 2
1 749 . 1 1 A 205 205 GLU CB C 205 28.690 29.499 -0.809 2
1 750 . 1 1 A 206 206 LYS H H 206 7.824 7.964 -0.140 2
1 751 . 1 1 A 206 206 LYS CA C 206 56.845 58.757 -1.912 2
1 752 . 1 1 A 206 206 LYS CB C 206 31.995 32.169 -0.174 2
1 753 . 1 1 A 206 206 LYS N N 206 120.139 120.875 -0.736 2
1 754 . 1 1 A 207 207 ALA H H 207 8.062 7.988 0.074 2
1 755 . 1 1 A 207 207 ALA CA C 207 52.060 54.290 -2.230 2
1 756 . 1 1 A 207 207 ALA CB C 207 18.100 18.375 -0.275 2
1 757 . 1 1 A 207 207 ALA N N 207 120.043 122.418 -2.375 2
1 758 . 1 1 A 208 208 LYS H H 208 7.747 8.037 -0.290 2
1 759 . 1 1 A 208 208 LYS CA C 208 57.070 61.464 -4.394 2
1 760 . 1 1 A 208 208 LYS CB C 208 32.730 30.688 2.042 2
1 761 . 1 1 A 208 208 LYS N N 208 126.600 117.655 8.945 2
1 762 . 1 1 A 209 209 PRO CA C 209 62.535 65.215 -2.680 2
1 763 . 1 1 A 209 209 PRO CB C 209 31.075 30.705 0.370 2
1 764 . 1 1 A 210 210 ALA H H 210 8.287 8.099 0.188 2
1 765 . 1 1 A 210 210 ALA CA C 210 51.673 55.047 -3.374 2
1 766 . 1 1 A 210 210 ALA CB C 210 18.207 18.429 -0.222 2
1 767 . 1 1 A 210 210 ALA N N 210 125.231 119.531 5.700 2
1 768 . 1 1 A 211 211 LEU H H 211 8.086 7.915 0.171 2
1 769 . 1 1 A 211 211 LEU CA C 211 53.870 56.105 -2.235 2
1 770 . 1 1 A 211 211 LEU CB C 211 41.135 42.075 -0.940 2
1 771 . 1 1 A 211 211 LEU N N 211 122.357 119.757 2.600 2
1 772 . 1 1 A 212 212 GLU H H 212 7.732 8.384 -0.652 2
1 773 . 1 1 A 212 212 GLU CA C 212 55.555 59.754 -4.199 2
1 774 . 1 1 A 212 212 GLU CB C 212 31.010 29.202 1.808 2
1 775 . 1 1 A 212 212 GLU N N 212 120.762 120.457 0.305 2
1 776 . 1 1 A 213 213 ASP H H 213 8.200 7.913 0.287 2
1 777 . 1 1 A 213 213 ASP CA C 213 53.835 56.974 -3.139 2
1 778 . 1 1 A 213 213 ASP CB C 213 40.310 41.118 -0.808 2
1 779 . 1 1 A 213 213 ASP N N 213 121.728 118.652 3.076 2
1 780 . 1 1 A 214 214 LEU H H 214 7.987 7.675 0.312 2
1 781 . 1 1 A 214 214 LEU CA C 214 54.683 55.446 -0.763 2
1 782 . 1 1 A 214 214 LEU CB C 214 40.875 42.169 -1.294 2
1 783 . 1 1 A 214 214 LEU N N 214 123.198 120.299 2.899 2
1 784 . 1 1 A 215 215 ARG H H 215 8.127 8.946 -0.819 2
1 785 . 1 1 A 215 215 ARG CA C 215 55.975 57.886 -1.911 2
1 786 . 1 1 A 215 215 ARG CB C 215 29.360 30.263 -0.903 2
1 787 . 1 1 A 215 215 ARG N N 215 122.153 123.029 -0.876 2
1 788 . 1 1 A 216 216 GLN H H 216 8.470 7.664 0.806 2
1 789 . 1 1 A 216 216 GLN CA C 216 56.680 55.314 1.366 2
1 790 . 1 1 A 216 216 GLN CB C 216 28.975 28.767 0.208 2
1 791 . 1 1 A 216 216 GLN N N 216 122.058 119.434 2.624 2
1 792 . 1 1 A 217 217 GLY H H 217 8.249 8.663 -0.414 2
1 793 . 1 1 A 217 217 GLY CA C 217 44.904 46.979 -2.075 2
1 794 . 1 1 A 217 217 GLY N N 217 110.178 111.612 -1.434 2
1 795 . 1 1 A 218 218 LEU H H 218 7.866 8.839 -0.973 2
1 796 . 1 1 A 218 218 LEU CA C 218 54.490 56.743 -2.253 2
1 797 . 1 1 A 218 218 LEU CB C 218 41.250 40.155 1.095 2
1 798 . 1 1 A 218 218 LEU N N 218 121.918 124.143 -2.225 2
1 799 . 1 1 A 219 219 LEU H H 219 7.841 8.119 -0.278 2
1 800 . 1 1 A 219 219 LEU CA C 219 52.690 59.811 -7.121 2
1 801 . 1 1 A 219 219 LEU CB C 219 39.770 40.606 -0.836 2
1 802 . 1 1 A 219 219 LEU N N 219 125.040 120.414 4.626 2
1 803 . 1 1 A 220 220 PRO CA C 220 61.960 65.090 -3.130 2
1 804 . 1 1 A 220 220 PRO CB C 220 30.930 31.114 -0.184 2
1 805 . 1 1 A 221 221 VAL H H 221 8.036 7.420 0.616 2
1 806 . 1 1 A 221 221 VAL CA C 221 62.410 65.736 -3.326 2
1 807 . 1 1 A 221 221 VAL CB C 221 31.285 31.781 -0.496 2
1 808 . 1 1 A 221 221 VAL N N 221 121.280 117.411 3.869 2
1 809 . 1 1 A 222 222 LEU H H 222 8.117 7.864 0.253 2
1 810 . 1 1 A 222 222 LEU CA C 222 53.923 57.694 -3.771 2
1 811 . 1 1 A 222 222 LEU CB C 222 40.520 41.618 -1.098 2
1 812 . 1 1 A 222 222 LEU N N 222 121.815 119.349 2.466 2
1 813 . 1 1 A 223 223 GLU H H 223 7.741 8.245 -0.504 2
1 814 . 1 1 A 223 223 GLU CA C 223 55.620 59.579 -3.959 2
1 815 . 1 1 A 223 223 GLU CB C 223 29.420 28.892 0.528 2
1 816 . 1 1 A 223 223 GLU N N 223 120.983 120.308 0.675 2
1 817 . 1 1 A 224 224 SER H H 224 8.024 8.143 -0.119 2
1 818 . 1 1 A 224 224 SER CA C 224 61.110 60.886 0.224 2
1 819 . 1 1 A 224 224 SER CB C 224 69.480 62.634 6.846 2
1 820 . 1 1 A 224 224 SER N N 224 115.443 115.340 0.103 2
1 821 . 1 1 A 225 225 PHE CA C 225 61.500 58.887 2.613 2
1 822 . 1 1 A 225 225 PHE CB C 225 41.140 38.944 2.196 2
1 823 . 1 1 A 226 226 LYS H H 226 7.710 8.152 -0.442 2
1 824 . 1 1 A 226 226 LYS CA C 226 58.610 58.850 -0.240 2
1 825 . 1 1 A 226 226 LYS CB C 226 31.455 32.338 -0.883 2
1 826 . 1 1 A 226 226 LYS N N 226 121.718 122.463 -0.745 2
1 827 . 1 1 A 227 227 VAL H H 227 7.956 7.802 0.154 2
1 828 . 1 1 A 227 227 VAL CA C 227 61.815 65.431 -3.616 2
1 829 . 1 1 A 227 227 VAL CB C 227 31.785 31.321 0.464 2
1 830 . 1 1 A 227 227 VAL N N 227 122.157 120.759 1.398 2
1 831 . 1 1 A 228 228 SER H H 228 7.767 8.349 -0.582 2
1 832 . 1 1 A 228 228 SER CA C 228 61.580 61.295 0.285 2
1 833 . 1 1 A 228 228 SER CB C 228 68.150 62.224 5.926 2
1 834 . 1 1 A 228 228 SER N N 228 125.544 114.449 11.095 2
1 835 . 1 1 A 229 229 PHE H H 229 8.018 7.764 0.254 2
1 836 . 1 1 A 229 229 PHE CA C 229 61.570 60.942 0.628 2
1 837 . 1 1 A 229 229 PHE CB C 229 37.925 38.717 -0.792 2
1 838 . 1 1 A 229 229 PHE N N 229 124.322 118.900 5.422 2
1 839 . 1 1 A 230 230 LEU H H 230 8.000 8.037 -0.037 2
1 840 . 1 1 A 230 230 LEU CB C 230 40.900 41.356 -0.456 2
1 841 . 1 1 A 230 230 LEU N N 230 122.730 120.696 2.034 2
1 842 . 1 1 A 232 232 ALA CA C 232 51.550 54.403 -2.853 2
1 843 . 1 1 A 232 232 ALA CB C 232 18.270 18.459 -0.189 2
1 844 . 1 1 A 233 233 LEU H H 233 8.060 8.180 -0.120 2
1 845 . 1 1 A 233 233 LEU CA C 233 54.800 57.533 -2.733 2
1 846 . 1 1 A 233 233 LEU CB C 233 41.050 41.661 -0.611 2
1 847 . 1 1 A 233 233 LEU N N 233 123.760 120.446 3.314 2
1 848 . 1 1 A 234 234 GLU H H 234 8.303 8.394 -0.091 2
1 849 . 1 1 A 234 234 GLU CA C 234 56.150 59.310 -3.160 2
1 850 . 1 1 A 234 234 GLU CB C 234 30.863 29.063 1.800 2
1 851 . 1 1 A 234 234 GLU N N 234 121.210 119.355 1.855 2
1 852 . 1 1 A 235 235 GLU H H 235 7.859 7.933 -0.074 2
1 853 . 1 1 A 235 235 GLU CA C 235 56.460 59.123 -2.663 2
1 854 . 1 1 A 235 235 GLU CB C 235 29.400 29.122 0.278 2
1 855 . 1 1 A 235 235 GLU N N 235 125.998 119.671 6.327 2
1 856 . 1 1 A 236 236 TYR H H 236 7.944 7.705 0.239 2
1 857 . 1 1 A 236 236 TYR CA C 236 57.763 60.567 -2.804 2
1 858 . 1 1 A 236 236 TYR CB C 236 37.713 38.053 -0.340 2
1 859 . 1 1 A 236 236 TYR N N 236 121.597 120.224 1.373 2
1 860 . 1 1 A 237 237 THR H H 237 7.641 8.080 -0.439 2
1 861 . 1 1 A 237 237 THR CA C 237 62.505 65.964 -3.459 2
1 862 . 1 1 A 237 237 THR CB C 237 70.150 68.245 1.905 2
1 863 . 1 1 A 237 237 THR N N 237 121.739 116.195 5.544 2
1 864 . 1 1 A 238 238 LYS H H 238 8.172 7.881 0.291 2
1 865 . 1 1 A 238 238 LYS CA C 238 55.195 59.276 -4.081 2
1 866 . 1 1 A 238 238 LYS CB C 238 31.225 32.299 -1.074 2
1 867 . 1 1 A 238 238 LYS N N 238 122.808 119.937 2.871 2
1 868 . 1 1 A 239 239 LYS H H 239 8.172 8.061 0.111 2
1 869 . 1 1 A 239 239 LYS CA C 239 56.670 58.945 -2.275 2
1 870 . 1 1 A 239 239 LYS CB C 239 31.650 32.120 -0.470 2
1 871 . 1 1 A 239 239 LYS N N 239 121.248 118.908 2.340 2
1 872 . 1 1 A 241 241 ASN CA C 241 55.920 56.618 -0.698 2
1 873 . 1 1 A 241 241 ASN CB C 241 40.700 38.611 2.089 2
1 874 . 1 1 A 242 242 THR H H 242 8.110 8.142 -0.032 2
1 875 . 1 1 A 242 242 THR CA C 242 61.380 67.179 -5.799 2
1 876 . 1 1 A 242 242 THR CB C 242 69.350 68.602 0.748 2
1 877 . 1 1 A 242 242 THR N N 242 115.986 117.074 -1.088 2
stop_
save_