data_16330_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16330
_Entry.PDB_ID 3BCI
_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 12 . 1 1 1 A 12 12 LYS H H 15 8.140 nan 8.140 1
1 13 . 1 1 1 A 12 12 LYS C C 15 174.149 175.482 -1.333 1
1 14 . 1 1 1 A 12 12 LYS CA C 15 54.599 54.375 0.224 1
1 15 . 1 1 1 A 12 12 LYS CB C 15 33.080 33.253 -0.173 1
1 16 . 1 1 1 A 12 12 LYS N N 15 121.837 119.828 2.009 1
1 17 . 1 1 1 A 13 13 PRO C C 16 173.620 175.159 -1.539 1
1 18 . 1 1 1 A 13 13 PRO CA C 16 63.012 63.368 -0.356 1
1 19 . 1 1 1 A 13 13 PRO CB C 16 32.278 32.293 -0.015 1
1 20 . 1 1 1 A 14 14 LEU H H 17 8.206 nan 8.206 1
1 21 . 1 1 1 A 14 14 LEU C C 17 175.816 174.796 1.020 1
1 22 . 1 1 1 A 14 14 LEU CA C 17 53.740 53.349 0.391 1
1 23 . 1 1 1 A 14 14 LEU CB C 17 44.555 44.772 -0.217 1
1 24 . 1 1 1 A 14 14 LEU N N 17 123.337 124.186 -0.849 1
1 25 . 1 1 1 A 15 15 VAL H H 18 9.197 nan 9.197 1
1 26 . 1 1 1 A 15 15 VAL C C 18 173.697 175.113 -1.416 1
1 27 . 1 1 1 A 15 15 VAL CA C 18 61.116 61.727 -0.611 1
1 28 . 1 1 1 A 15 15 VAL CB C 18 33.014 33.360 -0.346 1
1 29 . 1 1 1 A 15 15 VAL N N 18 129.437 128.558 0.879 1
1 30 . 1 1 1 A 16 16 VAL H H 19 9.152 nan 9.152 1
1 31 . 1 1 1 A 16 16 VAL C C 19 175.184 174.845 0.339 1
1 32 . 1 1 1 A 16 16 VAL CA C 19 60.077 60.679 -0.602 1
1 33 . 1 1 1 A 16 16 VAL CB C 19 34.852 34.073 0.779 1
1 34 . 1 1 1 A 16 16 VAL N N 19 127.218 128.222 -1.004 1
1 35 . 1 1 1 A 17 17 VAL H H 20 8.509 nan 8.509 1
1 36 . 1 1 1 A 17 17 VAL C C 20 173.891 174.774 -0.883 1
1 37 . 1 1 1 A 17 17 VAL CA C 20 61.556 60.891 0.665 1
1 38 . 1 1 1 A 17 17 VAL CB C 20 35.245 34.303 0.942 1
1 39 . 1 1 1 A 17 17 VAL N N 20 125.915 126.958 -1.043 1
1 40 . 1 1 1 A 18 18 TYR H H 21 9.281 nan 9.281 1
1 41 . 1 1 1 A 18 18 TYR C C 21 176.215 176.323 -0.108 1
1 42 . 1 1 1 A 18 18 TYR CA C 21 56.049 55.953 0.096 1
1 43 . 1 1 1 A 18 18 TYR CB C 21 39.099 40.683 -1.584 1
1 44 . 1 1 1 A 18 18 TYR N N 21 125.937 126.840 -0.903 1
1 45 . 1 1 1 A 19 19 GLY H H 22 8.392 nan 8.392 1
1 46 . 1 1 1 A 19 19 GLY C C 22 170.352 171.555 -1.203 1
1 47 . 1 1 1 A 19 19 GLY CA C 22 47.598 46.205 1.393 1
1 48 . 1 1 1 A 19 19 GLY N N 22 107.933 110.506 -2.573 1
1 49 . 1 1 1 A 20 20 ASP H H 23 7.865 nan 7.865 1
1 50 . 1 1 1 A 20 20 ASP C C 23 178.073 175.838 2.235 1
1 51 . 1 1 1 A 20 20 ASP CA C 23 55.143 53.924 1.219 1
1 52 . 1 1 1 A 20 20 ASP CB C 23 46.112 44.371 1.741 1
1 53 . 1 1 1 A 20 20 ASP N N 23 119.883 121.958 -2.075 1
1 54 . 1 1 1 A 21 21 TYR H H 24 7.877 nan 7.877 1
1 55 . 1 1 1 A 21 21 TYR C C 24 175.989 177.345 -1.356 1
1 56 . 1 1 1 A 21 21 TYR CA C 24 62.128 60.965 1.163 1
1 57 . 1 1 1 A 21 21 TYR CB C 24 37.722 37.834 -0.112 1
1 58 . 1 1 1 A 21 21 TYR N N 24 125.361 125.220 0.141 1
1 59 . 1 1 1 A 22 22 LYS H H 25 9.741 nan 9.741 1
1 60 . 1 1 1 A 22 22 LYS C C 25 176.130 176.778 -0.648 1
1 61 . 1 1 1 A 22 22 LYS CA C 25 57.163 56.373 0.790 1
1 62 . 1 1 1 A 22 22 LYS CB C 25 32.157 32.931 -0.774 1
1 63 . 1 1 1 A 22 22 LYS N N 25 115.895 116.492 -0.597 1
1 64 . 1 1 1 A 23 23 CYS H H 26 7.651 nan 7.651 1
1 65 . 1 1 1 A 23 23 CYS C C 26 177.014 174.563 2.451 1
1 66 . 1 1 1 A 23 23 CYS CA C 26 57.586 56.918 0.668 1
1 67 . 1 1 1 A 23 23 CYS CB C 26 30.696 29.265 1.431 1
1 68 . 1 1 1 A 23 23 CYS N N 26 122.836 121.975 0.861 1
1 69 . 1 1 1 A 24 24 PRO C C 27 179.488 178.711 0.777 1
1 70 . 1 1 1 A 24 24 PRO CA C 27 64.394 65.421 -1.027 1
1 71 . 1 1 1 A 24 24 PRO CB C 27 32.090 31.745 0.345 1
1 72 . 1 1 1 A 25 25 TYR H H 28 9.242 nan 9.242 1
1 73 . 1 1 1 A 25 25 TYR C C 28 179.414 178.439 0.975 1
1 74 . 1 1 1 A 25 25 TYR CA C 28 61.198 60.987 0.211 1
1 75 . 1 1 1 A 25 25 TYR CB C 28 37.180 37.373 -0.193 1
1 76 . 1 1 1 A 25 25 TYR N N 28 126.948 117.174 9.774 1
1 77 . 1 1 1 A 26 26 CYS H H 29 9.499 nan 9.499 1
1 78 . 1 1 1 A 26 26 CYS C C 29 176.441 176.977 -0.536 1
1 79 . 1 1 1 A 26 26 CYS CA C 29 64.290 63.447 0.843 1
1 80 . 1 1 1 A 26 26 CYS CB C 29 29.193 27.142 2.051 1
1 81 . 1 1 1 A 26 26 CYS N N 29 128.257 118.882 9.375 1
1 82 . 1 1 1 A 27 27 LYS H H 30 7.498 nan 7.498 1
1 83 . 1 1 1 A 27 27 LYS C C 30 177.129 178.590 -1.461 1
1 84 . 1 1 1 A 27 27 LYS CA C 30 59.803 59.219 0.584 1
1 85 . 1 1 1 A 27 27 LYS CB C 30 32.381 32.132 0.249 1
1 86 . 1 1 1 A 27 27 LYS N N 30 121.531 121.992 -0.461 1
1 87 . 1 1 1 A 28 28 GLU H H 31 7.228 nan 7.228 1
1 88 . 1 1 1 A 28 28 GLU C C 31 178.354 179.164 -0.810 1
1 89 . 1 1 1 A 28 28 GLU CA C 31 59.655 58.959 0.696 1
1 90 . 1 1 1 A 28 28 GLU CB C 31 29.249 29.683 -0.434 1
1 91 . 1 1 1 A 28 28 GLU N N 31 119.257 119.753 -0.496 1
1 92 . 1 1 1 A 29 29 LEU H H 32 7.830 nan 7.830 1
1 93 . 1 1 1 A 29 29 LEU C C 32 179.566 177.950 1.616 1
1 94 . 1 1 1 A 29 29 LEU CA C 32 60.961 57.908 3.053 1
1 95 . 1 1 1 A 29 29 LEU CB C 32 42.834 41.486 1.348 1
1 96 . 1 1 1 A 29 29 LEU N N 32 121.297 121.876 -0.579 1
1 97 . 1 1 1 A 30 30 ASP H H 33 8.048 nan 8.048 1
1 98 . 1 1 1 A 30 30 ASP C C 33 177.938 178.225 -0.287 1
1 99 . 1 1 1 A 30 30 ASP CA C 33 59.049 57.754 1.295 1
1 100 . 1 1 1 A 30 30 ASP CB C 33 43.981 41.849 2.132 1
1 101 . 1 1 1 A 30 30 ASP N N 33 122.240 118.675 3.565 1
1 102 . 1 1 1 A 31 31 GLU H H 34 8.134 nan 8.134 1
1 103 . 1 1 1 A 31 31 GLU C C 34 178.762 179.209 -0.447 1
1 104 . 1 1 1 A 31 31 GLU CA C 34 59.131 59.105 0.026 1
1 105 . 1 1 1 A 31 31 GLU CB C 34 30.714 29.332 1.382 1
1 106 . 1 1 1 A 31 31 GLU N N 34 115.623 118.055 -2.432 1
1 107 . 1 1 1 A 32 32 LYS H H 35 8.467 nan 8.467 1
1 108 . 1 1 1 A 32 32 LYS C C 35 178.720 178.280 0.440 1
1 109 . 1 1 1 A 32 32 LYS CA C 35 58.719 58.594 0.125 1
1 110 . 1 1 1 A 32 32 LYS CB C 35 35.070 33.061 2.009 1
1 111 . 1 1 1 A 32 32 LYS N N 35 114.739 118.567 -3.828 1
1 112 . 1 1 1 A 33 33 VAL H H 36 8.643 nan 8.643 1
1 113 . 1 1 1 A 33 33 VAL C C 36 176.462 177.918 -1.456 1
1 114 . 1 1 1 A 33 33 VAL CA C 36 64.697 64.873 -0.176 1
1 115 . 1 1 1 A 33 33 VAL CB C 36 34.004 31.875 2.129 1
1 116 . 1 1 1 A 33 33 VAL N N 36 118.534 119.377 -0.843 1
1 117 . 1 1 1 A 34 34 MET H H 37 7.094 nan 7.094 1
1 118 . 1 1 1 A 34 34 MET C C 37 174.719 176.313 -1.594 1
1 119 . 1 1 1 A 34 34 MET CA C 37 58.086 59.014 -0.928 1
1 120 . 1 1 1 A 34 34 MET CB C 37 28.458 30.892 -2.434 1
1 121 . 1 1 1 A 34 34 MET N N 37 116.831 117.627 -0.796 1
1 122 . 1 1 1 A 35 35 PRO C C 38 180.099 179.457 0.642 1
1 123 . 1 1 1 A 35 35 PRO CA C 38 67.120 66.211 0.909 1
1 124 . 1 1 1 A 35 35 PRO CB C 38 31.148 30.584 0.564 1
1 125 . 1 1 1 A 36 36 LYS H H 39 7.185 nan 7.185 1
1 126 . 1 1 1 A 36 36 LYS C C 39 178.465 178.924 -0.459 1
1 127 . 1 1 1 A 36 36 LYS CA C 39 59.160 58.784 0.376 1
1 128 . 1 1 1 A 36 36 LYS CB C 39 32.584 31.323 1.261 1
1 129 . 1 1 1 A 36 36 LYS N N 39 115.941 117.858 -1.917 1
1 130 . 1 1 1 A 37 37 LEU H H 40 8.163 nan 8.163 1
1 131 . 1 1 1 A 37 37 LEU C C 40 180.461 178.437 2.024 1
1 132 . 1 1 1 A 37 37 LEU CA C 40 58.754 57.827 0.927 1
1 133 . 1 1 1 A 37 37 LEU CB C 40 43.194 41.625 1.569 1
1 134 . 1 1 1 A 37 37 LEU N N 40 121.305 121.160 0.145 1
1 135 . 1 1 1 A 38 38 ARG H H 41 9.506 nan 9.506 1
1 136 . 1 1 1 A 38 38 ARG C C 41 177.336 178.676 -1.340 1
1 137 . 1 1 1 A 38 38 ARG CA C 41 60.539 59.764 0.775 1
1 138 . 1 1 1 A 38 38 ARG CB C 41 30.144 29.729 0.415 1
1 139 . 1 1 1 A 38 38 ARG N N 41 118.882 118.724 0.158 1
1 140 . 1 1 1 A 39 39 LYS H H 42 7.208 nan 7.208 1
1 141 . 1 1 1 A 39 39 LYS C C 42 177.454 178.714 -1.260 1
1 142 . 1 1 1 A 39 39 LYS CA C 42 58.788 59.351 -0.563 1
1 143 . 1 1 1 A 39 39 LYS CB C 42 33.056 32.242 0.814 1
1 144 . 1 1 1 A 39 39 LYS N N 42 116.870 119.236 -2.366 1
1 145 . 1 1 1 A 40 40 ASN H H 43 7.832 nan 7.832 1
1 146 . 1 1 1 A 40 40 ASN C C 43 175.949 175.481 0.468 1
1 147 . 1 1 1 A 40 40 ASN CA C 43 55.016 54.250 0.766 1
1 148 . 1 1 1 A 40 40 ASN CB C 43 40.474 39.061 1.413 1
1 149 . 1 1 1 A 40 40 ASN N N 43 111.275 115.846 -4.571 1
1 150 . 1 1 1 A 41 41 TYR H H 44 7.891 nan 7.891 1
1 151 . 1 1 1 A 41 41 TYR C C 44 175.139 176.521 -1.382 1
1 152 . 1 1 1 A 41 41 TYR CA C 44 60.820 58.807 2.013 1
1 153 . 1 1 1 A 41 41 TYR CB C 44 41.929 40.404 1.525 1
1 154 . 1 1 1 A 41 41 TYR N N 44 115.297 116.868 -1.571 1
1 155 . 1 1 1 A 42 42 ILE H H 45 7.987 nan 7.987 1
1 156 . 1 1 1 A 42 42 ILE C C 45 179.903 178.062 1.841 1
1 157 . 1 1 1 A 42 42 ILE CA C 45 64.810 63.538 1.272 1
1 158 . 1 1 1 A 42 42 ILE CB C 45 39.767 38.016 1.751 1
1 159 . 1 1 1 A 42 42 ILE N N 45 117.648 120.871 -3.223 1
1 160 . 1 1 1 A 43 43 ASP H H 46 9.427 nan 9.427 1
1 161 . 1 1 1 A 43 43 ASP C C 46 176.346 177.371 -1.025 1
1 162 . 1 1 1 A 43 43 ASP CA C 46 57.179 57.124 0.055 1
1 163 . 1 1 1 A 43 43 ASP CB C 46 39.853 40.275 -0.422 1
1 164 . 1 1 1 A 43 43 ASP N N 46 122.997 119.305 3.692 1
1 165 . 1 1 1 A 44 44 ASN H H 47 7.653 nan 7.653 1
1 166 . 1 1 1 A 44 44 ASN C C 47 175.353 174.678 0.675 1
1 167 . 1 1 1 A 44 44 ASN CA C 47 51.781 51.941 -0.160 1
1 168 . 1 1 1 A 44 44 ASN CB C 47 36.961 37.225 -0.264 1
1 169 . 1 1 1 A 44 44 ASN N N 47 112.758 113.700 -0.942 1
1 170 . 1 1 1 A 45 45 HIS H H 48 7.844 nan 7.844 1
1 171 . 1 1 1 A 45 45 HIS C C 48 174.735 174.924 -0.189 1
1 172 . 1 1 1 A 45 45 HIS CA C 48 57.012 56.893 0.119 1
1 173 . 1 1 1 A 45 45 HIS CB C 48 27.215 26.812 0.403 1
1 174 . 1 1 1 A 45 45 HIS N N 48 111.524 113.887 -2.363 1
1 175 . 1 1 1 A 46 46 LYS H H 49 8.055 nan 8.055 1
1 176 . 1 1 1 A 46 46 LYS C C 49 176.814 176.664 0.150 1
1 177 . 1 1 1 A 46 46 LYS CA C 49 58.725 57.655 1.070 1
1 178 . 1 1 1 A 46 46 LYS CB C 49 34.393 33.143 1.250 1
1 179 . 1 1 1 A 46 46 LYS N N 49 116.984 117.858 -0.874 1
1 180 . 1 1 1 A 47 47 VAL H H 50 7.644 nan 7.644 1
1 181 . 1 1 1 A 47 47 VAL C C 50 174.533 174.338 0.195 1
1 182 . 1 1 1 A 47 47 VAL CA C 50 58.057 58.646 -0.589 1
1 183 . 1 1 1 A 47 47 VAL CB C 50 35.139 35.594 -0.455 1
1 184 . 1 1 1 A 47 47 VAL N N 50 107.475 112.933 -5.458 1
1 185 . 1 1 1 A 48 48 GLU H H 51 8.876 nan 8.876 1
1 186 . 1 1 1 A 48 48 GLU C C 51 173.909 174.534 -0.625 1
1 187 . 1 1 1 A 48 48 GLU CA C 51 55.237 55.036 0.201 1
1 188 . 1 1 1 A 48 48 GLU CB C 51 31.935 31.702 0.233 1
1 189 . 1 1 1 A 48 48 GLU N N 51 121.645 120.818 0.827 1
1 190 . 1 1 1 A 49 49 TYR H H 52 8.681 nan 8.681 1
1 191 . 1 1 1 A 49 49 TYR C C 52 173.910 174.240 -0.330 1
1 192 . 1 1 1 A 49 49 TYR CA C 52 55.538 56.634 -1.096 1
1 193 . 1 1 1 A 49 49 TYR CB C 52 42.582 42.183 0.399 1
1 194 . 1 1 1 A 49 49 TYR N N 52 125.121 125.448 -0.327 1
1 195 . 1 1 1 A 50 50 GLN H H 53 8.754 nan 8.754 1
1 196 . 1 1 1 A 50 50 GLN C C 53 171.338 173.066 -1.728 1
1 197 . 1 1 1 A 50 50 GLN CA C 53 54.196 54.329 -0.133 1
1 198 . 1 1 1 A 50 50 GLN CB C 53 32.159 32.351 -0.192 1
1 199 . 1 1 1 A 50 50 GLN N N 53 108.294 126.890 -18.596 1
1 200 . 1 1 1 A 51 51 PHE H H 54 8.335 nan 8.335 1
1 201 . 1 1 1 A 51 51 PHE C C 54 175.355 173.509 1.846 1
1 202 . 1 1 1 A 51 51 PHE CA C 54 55.067 56.159 -1.092 1
1 203 . 1 1 1 A 51 51 PHE CB C 54 40.893 41.343 -0.450 1
1 204 . 1 1 1 A 51 51 PHE N N 54 126.442 127.680 -1.238 1
1 205 . 1 1 1 A 52 52 VAL H H 55 8.898 nan 8.898 1
1 206 . 1 1 1 A 52 52 VAL C C 55 172.810 173.774 -0.964 1
1 207 . 1 1 1 A 52 52 VAL CA C 55 61.278 61.163 0.115 1
1 208 . 1 1 1 A 52 52 VAL CB C 55 32.540 32.523 0.017 1
1 209 . 1 1 1 A 52 52 VAL N N 55 110.580 127.202 -16.622 1
1 210 . 1 1 1 A 53 53 ASN H H 56 9.074 nan 9.074 1
1 211 . 1 1 1 A 53 53 ASN C C 56 175.635 176.145 -0.510 1
1 212 . 1 1 1 A 53 53 ASN CA C 56 50.877 52.127 -1.250 1
1 213 . 1 1 1 A 53 53 ASN CB C 56 40.003 38.510 1.493 1
1 214 . 1 1 1 A 53 53 ASN N N 56 127.553 126.579 0.974 1
1 215 . 1 1 1 A 54 54 LEU H H 57 8.872 nan 8.872 1
1 216 . 1 1 1 A 54 54 LEU C C 57 177.152 176.394 0.758 1
1 217 . 1 1 1 A 54 54 LEU CA C 57 59.665 56.488 3.177 1
1 218 . 1 1 1 A 54 54 LEU CB C 57 44.192 41.994 2.198 1
1 219 . 1 1 1 A 54 54 LEU N N 57 127.581 126.492 1.089 1
1 220 . 1 1 1 A 55 55 ALA H H 58 8.952 nan 8.952 1
1 221 . 1 1 1 A 55 55 ALA C C 58 176.837 177.360 -0.523 1
1 222 . 1 1 1 A 55 55 ALA CA C 58 52.663 53.078 -0.415 1
1 223 . 1 1 1 A 55 55 ALA CB C 58 17.492 17.189 0.303 1
1 224 . 1 1 1 A 55 55 ALA N N 58 119.042 121.115 -2.073 1
1 225 . 1 1 1 A 56 56 PHE H H 59 8.763 nan 8.763 1
1 226 . 1 1 1 A 56 56 PHE C C 59 176.630 176.085 0.545 1
1 227 . 1 1 1 A 56 56 PHE CA C 59 56.426 57.034 -0.608 1
1 228 . 1 1 1 A 56 56 PHE CB C 59 41.224 40.223 1.001 1
1 229 . 1 1 1 A 56 56 PHE N N 59 117.213 113.656 3.557 1
1 230 . 1 1 1 A 57 57 LEU H H 60 7.957 nan 7.957 1
1 231 . 1 1 1 A 57 57 LEU C C 60 176.119 175.733 0.386 1
1 232 . 1 1 1 A 57 57 LEU CA C 60 55.583 54.044 1.539 1
1 233 . 1 1 1 A 57 57 LEU CB C 60 41.561 41.802 -0.241 1
1 234 . 1 1 1 A 57 57 LEU N N 60 126.287 118.777 7.510 1
1 235 . 1 1 1 A 58 58 GLY H H 61 7.489 nan 7.489 1
1 236 . 1 1 1 A 58 58 GLY C C 61 175.639 174.448 1.191 1
1 237 . 1 1 1 A 58 58 GLY CA C 61 44.459 44.521 -0.062 1
1 238 . 1 1 1 A 58 58 GLY N N 61 127.607 107.406 20.201 1
1 239 . 1 1 1 A 59 59 LYS C C 62 176.620 176.890 -0.270 1
1 240 . 1 1 1 A 59 59 LYS CA C 62 59.180 58.568 0.612 1
1 241 . 1 1 1 A 59 59 LYS CB C 62 32.434 31.971 0.463 1
1 242 . 1 1 1 A 60 60 ASP H H 63 10.174 nan 10.174 1
1 243 . 1 1 1 A 60 60 ASP C C 63 177.690 178.326 -0.636 1
1 244 . 1 1 1 A 60 60 ASP CA C 63 54.241 55.120 -0.879 1
1 245 . 1 1 1 A 60 60 ASP CB C 63 38.710 40.427 -1.717 1
1 246 . 1 1 1 A 60 60 ASP N N 63 114.572 120.265 -5.693 1
1 247 . 1 1 1 A 61 61 SER H H 64 7.387 nan 7.387 1
1 248 . 1 1 1 A 61 61 SER C C 64 178.370 175.823 2.547 1
1 249 . 1 1 1 A 61 61 SER CA C 64 63.607 62.364 1.243 1
1 250 . 1 1 1 A 61 61 SER CB C 64 62.296 63.104 -0.808 1
1 251 . 1 1 1 A 61 61 SER N N 64 117.539 117.520 0.019 1
1 252 . 1 1 1 A 62 62 ILE H H 65 7.869 nan 7.869 1
1 253 . 1 1 1 A 62 62 ILE C C 65 174.879 178.041 -3.162 1
1 254 . 1 1 1 A 62 62 ILE CA C 65 60.966 63.637 -2.671 1
1 255 . 1 1 1 A 62 62 ILE CB C 65 38.466 37.565 0.901 1
1 256 . 1 1 1 A 62 62 ILE N N 65 118.706 121.198 -2.492 1
1 257 . 1 1 1 A 63 63 VAL H H 66 6.995 nan 6.995 1
1 258 . 1 1 1 A 63 63 VAL C C 66 178.345 177.982 0.363 1
1 259 . 1 1 1 A 63 63 VAL CA C 66 66.817 66.201 0.616 1
1 260 . 1 1 1 A 63 63 VAL CB C 66 30.898 31.534 -0.636 1
1 261 . 1 1 1 A 63 63 VAL N N 66 125.502 121.357 4.145 1
1 262 . 1 1 1 A 64 64 GLY H H 67 7.228 nan 7.228 1
1 263 . 1 1 1 A 64 64 GLY C C 67 174.412 176.134 -1.722 1
1 264 . 1 1 1 A 64 64 GLY CA C 67 47.661 47.409 0.252 1
1 265 . 1 1 1 A 64 64 GLY N N 67 123.490 107.923 15.567 1
1 266 . 1 1 1 A 65 65 SER H H 68 7.864 nan 7.864 1
1 267 . 1 1 1 A 65 65 SER C C 68 177.796 177.438 0.358 1
1 268 . 1 1 1 A 65 65 SER CA C 68 59.950 61.435 -1.485 1
1 269 . 1 1 1 A 65 65 SER CB C 68 64.400 62.922 1.478 1
1 270 . 1 1 1 A 65 65 SER N N 68 113.440 116.972 -3.532 1
1 271 . 1 1 1 A 66 66 ARG H H 69 8.534 nan 8.534 1
1 272 . 1 1 1 A 66 66 ARG C C 69 177.980 178.743 -0.763 1
1 273 . 1 1 1 A 66 66 ARG CA C 69 60.440 59.597 0.843 1
1 274 . 1 1 1 A 66 66 ARG CB C 69 31.754 30.349 1.405 1
1 275 . 1 1 1 A 66 66 ARG N N 69 118.834 121.891 -3.057 1
1 276 . 1 1 1 A 67 67 ALA H H 70 7.850 nan 7.850 1
1 277 . 1 1 1 A 67 67 ALA C C 70 177.976 179.994 -2.018 1
1 278 . 1 1 1 A 67 67 ALA CA C 70 55.975 54.852 1.123 1
1 279 . 1 1 1 A 67 67 ALA CB C 70 18.305 17.386 0.919 1
1 280 . 1 1 1 A 67 67 ALA N N 70 119.861 122.283 -2.422 1
1 281 . 1 1 1 A 68 68 SER H H 71 8.039 nan 8.039 1
1 282 . 1 1 1 A 68 68 SER C C 71 176.540 177.751 -1.211 1
1 283 . 1 1 1 A 68 68 SER CA C 71 61.202 61.600 -0.398 1
1 284 . 1 1 1 A 68 68 SER CB C 71 63.700 63.322 0.378 1
1 285 . 1 1 1 A 68 68 SER N N 71 110.161 113.488 -3.327 1
1 286 . 1 1 1 A 69 69 HIS H H 72 8.823 nan 8.823 1
1 287 . 1 1 1 A 69 69 HIS C C 72 177.959 177.633 0.326 1
1 288 . 1 1 1 A 69 69 HIS CA C 72 61.528 59.089 2.439 1
1 289 . 1 1 1 A 69 69 HIS CB C 72 31.438 29.195 2.243 1
1 290 . 1 1 1 A 69 69 HIS N N 72 118.483 119.282 -0.799 1
1 291 . 1 1 1 A 70 70 ALA H H 73 8.555 nan 8.555 1
1 292 . 1 1 1 A 70 70 ALA C C 73 178.869 179.877 -1.008 1
1 293 . 1 1 1 A 70 70 ALA CA C 73 55.945 55.118 0.827 1
1 294 . 1 1 1 A 70 70 ALA CB C 73 19.558 18.414 1.144 1
1 295 . 1 1 1 A 70 70 ALA N N 73 124.107 122.330 1.777 1
1 296 . 1 1 1 A 71 71 VAL H H 74 8.153 nan 8.153 1
1 297 . 1 1 1 A 71 71 VAL C C 74 177.037 177.862 -0.825 1
1 298 . 1 1 1 A 71 71 VAL CA C 74 67.307 67.564 -0.257 1
1 299 . 1 1 1 A 71 71 VAL CB C 74 31.484 31.133 0.351 1
1 300 . 1 1 1 A 71 71 VAL N N 74 119.801 118.512 1.289 1
1 301 . 1 1 1 A 72 72 LEU H H 75 8.217 nan 8.217 1
1 302 . 1 1 1 A 72 72 LEU C C 75 177.661 178.364 -0.703 1
1 303 . 1 1 1 A 72 72 LEU CA C 75 58.408 58.011 0.397 1
1 304 . 1 1 1 A 72 72 LEU CB C 75 41.330 40.839 0.491 1
1 305 . 1 1 1 A 72 72 LEU N N 75 118.574 119.766 -1.192 1
1 306 . 1 1 1 A 73 73 MET H H 76 7.839 nan 7.839 1
1 307 . 1 1 1 A 73 73 MET C C 76 178.118 176.792 1.326 1
1 308 . 1 1 1 A 73 73 MET CA C 76 58.452 57.639 0.813 1
1 309 . 1 1 1 A 73 73 MET CB C 76 33.194 32.143 1.051 1
1 310 . 1 1 1 A 73 73 MET N N 76 113.047 116.288 -3.241 1
1 311 . 1 1 1 A 74 74 TYR H H 77 7.712 nan 7.712 1
1 312 . 1 1 1 A 74 74 TYR C C 77 175.501 176.384 -0.883 1
1 313 . 1 1 1 A 74 74 TYR CA C 77 58.578 58.787 -0.209 1
1 314 . 1 1 1 A 74 74 TYR CB C 77 39.044 40.534 -1.490 1
1 315 . 1 1 1 A 74 74 TYR N N 77 114.950 118.679 -3.729 1
1 316 . 1 1 1 A 75 75 ALA H H 78 9.180 nan 9.180 1
1 317 . 1 1 1 A 75 75 ALA C C 78 173.705 175.341 -1.636 1
1 318 . 1 1 1 A 75 75 ALA CA C 78 50.833 49.977 0.856 1
1 319 . 1 1 1 A 75 75 ALA CB C 78 20.157 19.178 0.979 1
1 320 . 1 1 1 A 75 75 ALA N N 78 124.657 121.873 2.784 1
1 321 . 1 1 1 A 76 76 PRO C C 79 180.413 178.439 1.974 1
1 322 . 1 1 1 A 76 76 PRO CA C 79 65.998 65.311 0.687 1
1 323 . 1 1 1 A 76 76 PRO CB C 79 31.089 31.965 -0.876 1
1 324 . 1 1 1 A 77 77 LYS H H 80 8.689 nan 8.689 1
1 325 . 1 1 1 A 77 77 LYS C C 80 178.465 177.462 1.003 1
1 326 . 1 1 1 A 77 77 LYS CA C 80 58.911 58.566 0.345 1
1 327 . 1 1 1 A 77 77 LYS CB C 80 31.722 32.068 -0.346 1
1 328 . 1 1 1 A 77 77 LYS N N 80 117.146 117.727 -0.581 1
1 329 . 1 1 1 A 78 78 SER H H 81 8.453 nan 8.453 1
1 330 . 1 1 1 A 78 78 SER C C 81 174.209 175.006 -0.797 1
1 331 . 1 1 1 A 78 78 SER CA C 81 59.876 58.715 1.161 1
1 332 . 1 1 1 A 78 78 SER CB C 81 64.735 64.292 0.443 1
1 333 . 1 1 1 A 78 78 SER N N 81 115.434 113.691 1.743 1
1 334 . 1 1 1 A 79 79 PHE H H 82 7.593 nan 7.593 1
1 335 . 1 1 1 A 79 79 PHE C C 82 175.900 177.127 -1.227 1
1 336 . 1 1 1 A 79 79 PHE CA C 82 62.313 61.765 0.548 1
1 337 . 1 1 1 A 79 79 PHE CB C 82 40.550 39.400 1.150 1
1 338 . 1 1 1 A 79 79 PHE N N 82 121.193 123.045 -1.852 1
1 339 . 1 1 1 A 80 80 LEU H H 83 8.588 nan 8.588 1
1 340 . 1 1 1 A 80 80 LEU C C 83 180.171 179.060 1.111 1
1 341 . 1 1 1 A 80 80 LEU CA C 83 58.473 57.582 0.891 1
1 342 . 1 1 1 A 80 80 LEU CB C 83 40.155 40.761 -0.606 1
1 343 . 1 1 1 A 80 80 LEU N N 83 118.636 119.584 -0.948 1
1 344 . 1 1 1 A 81 81 ASP H H 84 8.022 nan 8.022 1
1 345 . 1 1 1 A 81 81 ASP C C 84 177.896 178.612 -0.716 1
1 346 . 1 1 1 A 81 81 ASP CA C 84 57.537 57.351 0.186 1
1 347 . 1 1 1 A 81 81 ASP CB C 84 39.991 40.423 -0.432 1
1 348 . 1 1 1 A 81 81 ASP N N 84 120.563 120.534 0.029 1
1 349 . 1 1 1 A 82 82 PHE H H 85 8.168 nan 8.168 1
1 350 . 1 1 1 A 82 82 PHE C C 85 177.000 177.141 -0.141 1
1 351 . 1 1 1 A 82 82 PHE CA C 85 61.527 61.360 0.167 1
1 352 . 1 1 1 A 82 82 PHE CB C 85 39.240 39.151 0.089 1
1 353 . 1 1 1 A 82 82 PHE N N 85 121.582 121.765 -0.183 1
1 354 . 1 1 1 A 83 83 GLN H H 86 8.363 nan 8.363 1
1 355 . 1 1 1 A 83 83 GLN C C 86 176.900 178.452 -1.552 1
1 356 . 1 1 1 A 83 83 GLN CA C 86 60.478 58.627 1.851 1
1 357 . 1 1 1 A 83 83 GLN CB C 86 29.870 28.174 1.696 1
1 358 . 1 1 1 A 83 83 GLN N N 86 117.574 117.660 -0.086 1
1 359 . 1 1 1 A 84 84 LYS H H 87 7.680 nan 7.680 1
1 360 . 1 1 1 A 84 84 LYS C C 87 179.964 178.787 1.177 1
1 361 . 1 1 1 A 84 84 LYS CA C 87 58.975 59.756 -0.781 1
1 362 . 1 1 1 A 84 84 LYS CB C 87 32.341 32.326 0.015 1
1 363 . 1 1 1 A 84 84 LYS N N 87 117.806 120.048 -2.242 1
1 364 . 1 1 1 A 85 85 GLN H H 88 7.735 nan 7.735 1
1 365 . 1 1 1 A 85 85 GLN C C 88 178.069 178.644 -0.575 1
1 366 . 1 1 1 A 85 85 GLN CA C 88 58.106 58.603 -0.497 1
1 367 . 1 1 1 A 85 85 GLN CB C 88 28.628 28.025 0.603 1
1 368 . 1 1 1 A 85 85 GLN N N 88 116.790 118.915 -2.125 1
1 369 . 1 1 1 A 86 86 LEU H H 89 7.685 nan 7.685 1
1 370 . 1 1 1 A 86 86 LEU C C 89 179.197 178.571 0.626 1
1 371 . 1 1 1 A 86 86 LEU CA C 89 57.610 57.379 0.231 1
1 372 . 1 1 1 A 86 86 LEU CB C 89 40.739 40.981 -0.242 1
1 373 . 1 1 1 A 86 86 LEU N N 89 121.948 121.598 0.350 1
1 374 . 1 1 1 A 87 87 PHE H H 90 8.073 nan 8.073 1
1 375 . 1 1 1 A 87 87 PHE C C 90 179.144 178.503 0.641 1
1 376 . 1 1 1 A 87 87 PHE CA C 90 63.247 60.706 2.541 1
1 377 . 1 1 1 A 87 87 PHE CB C 90 38.773 37.876 0.897 1
1 378 . 1 1 1 A 87 87 PHE N N 90 115.387 117.865 -2.478 1
1 379 . 1 1 1 A 88 88 ALA H H 91 7.725 nan 7.725 1
1 380 . 1 1 1 A 88 88 ALA C C 91 178.659 178.721 -0.062 1
1 381 . 1 1 1 A 88 88 ALA CA C 91 54.365 54.512 -0.147 1
1 382 . 1 1 1 A 88 88 ALA CB C 91 18.190 18.184 0.006 1
1 383 . 1 1 1 A 88 88 ALA N N 91 118.278 121.894 -3.616 1
1 384 . 1 1 1 A 89 89 ALA H H 92 7.286 nan 7.286 1
1 385 . 1 1 1 A 89 89 ALA C C 92 175.575 176.961 -1.386 1
1 386 . 1 1 1 A 89 89 ALA CA C 92 51.206 51.569 -0.363 1
1 387 . 1 1 1 A 89 89 ALA CB C 92 19.728 19.379 0.349 1
1 388 . 1 1 1 A 89 89 ALA N N 92 120.488 118.890 1.598 1
1 389 . 1 1 1 A 90 90 GLN H H 93 6.814 nan 6.814 1
1 390 . 1 1 1 A 90 90 GLN C C 93 175.744 175.000 0.744 1
1 391 . 1 1 1 A 90 90 GLN CA C 93 57.800 55.992 1.808 1
1 392 . 1 1 1 A 90 90 GLN CB C 93 31.987 29.308 2.679 1
1 393 . 1 1 1 A 90 90 GLN N N 93 117.975 119.936 -1.961 1
1 394 . 1 1 1 A 91 91 GLN H H 94 3.512 nan 3.512 1
1 395 . 1 1 1 A 91 91 GLN C C 94 173.654 174.618 -0.964 1
1 396 . 1 1 1 A 91 91 GLN CA C 94 53.132 53.648 -0.516 1
1 397 . 1 1 1 A 91 91 GLN CB C 94 30.441 31.399 -0.958 1
1 398 . 1 1 1 A 91 91 GLN N N 94 123.518 123.610 -0.092 1
1 399 . 1 1 1 A 92 92 ASP H H 95 7.736 nan 7.736 1
1 400 . 1 1 1 A 92 92 ASP C C 95 176.427 177.542 -1.115 1
1 401 . 1 1 1 A 92 92 ASP CA C 95 55.695 54.826 0.869 1
1 402 . 1 1 1 A 92 92 ASP CB C 95 42.735 42.039 0.696 1
1 403 . 1 1 1 A 92 92 ASP N N 95 119.944 121.860 -1.916 1
1 404 . 1 1 1 A 93 93 GLU H H 96 9.061 nan 9.061 1
1 405 . 1 1 1 A 93 93 GLU C C 96 176.653 177.400 -0.747 1
1 406 . 1 1 1 A 93 93 GLU CA C 96 59.006 58.574 0.432 1
1 407 . 1 1 1 A 93 93 GLU CB C 96 29.803 29.197 0.606 1
1 408 . 1 1 1 A 93 93 GLU N N 96 122.036 125.375 -3.339 1
1 409 . 1 1 1 A 94 94 ASN H H 97 8.442 nan 8.442 1
1 410 . 1 1 1 A 94 94 ASN C C 97 175.484 175.978 -0.494 1
1 411 . 1 1 1 A 94 94 ASN CA C 97 53.953 54.231 -0.278 1
1 412 . 1 1 1 A 94 94 ASN CB C 97 38.707 39.118 -0.411 1
1 413 . 1 1 1 A 94 94 ASN N N 97 115.496 117.290 -1.794 1
1 414 . 1 1 1 A 95 95 LYS H H 98 8.215 nan 8.215 1
1 415 . 1 1 1 A 95 95 LYS C C 98 176.930 176.563 0.367 1
1 416 . 1 1 1 A 95 95 LYS CA C 98 55.249 54.992 0.257 1
1 417 . 1 1 1 A 95 95 LYS CB C 98 34.461 34.150 0.311 1
1 418 . 1 1 1 A 95 95 LYS N N 98 120.914 118.646 2.268 1
1 419 . 1 1 1 A 96 96 GLU H H 99 8.684 nan 8.684 1
1 420 . 1 1 1 A 96 96 GLU C C 99 175.655 177.280 -1.625 1
1 421 . 1 1 1 A 96 96 GLU CA C 99 55.474 55.185 0.289 1
1 422 . 1 1 1 A 96 96 GLU CB C 99 27.824 27.749 0.075 1
1 423 . 1 1 1 A 96 96 GLU N N 99 125.265 123.150 2.115 1
1 424 . 1 1 1 A 97 97 TRP H H 100 7.370 nan 7.370 1
1 425 . 1 1 1 A 97 97 TRP C C 100 176.805 176.890 -0.085 1
1 426 . 1 1 1 A 97 97 TRP CA C 100 55.883 58.767 -2.884 1
1 427 . 1 1 1 A 97 97 TRP CB C 100 30.048 28.521 1.527 1
1 428 . 1 1 1 A 97 97 TRP N N 100 120.066 121.617 -1.551 1
1 429 . 1 1 1 A 98 98 LEU H H 101 8.912 nan 8.912 1
1 430 . 1 1 1 A 98 98 LEU C C 101 174.802 175.330 -0.528 1
1 431 . 1 1 1 A 98 98 LEU CA C 101 54.244 53.636 0.608 1
1 432 . 1 1 1 A 98 98 LEU CB C 101 39.547 39.300 0.247 1
1 433 . 1 1 1 A 98 98 LEU N N 101 129.673 121.131 8.542 1
1 434 . 1 1 1 A 99 99 THR H H 102 7.335 nan 7.335 1
1 435 . 1 1 1 A 99 99 THR C C 102 175.213 176.206 -0.993 1
1 436 . 1 1 1 A 99 99 THR CA C 102 58.836 60.431 -1.595 1
1 437 . 1 1 1 A 99 99 THR CB C 102 71.604 71.464 0.140 1
1 438 . 1 1 1 A 99 99 THR N N 102 110.905 113.995 -3.090 1
1 439 . 1 1 1 A 100 100 LYS H H 103 8.756 nan 8.756 1
1 440 . 1 1 1 A 100 100 LYS C C 103 177.695 179.129 -1.434 1
1 441 . 1 1 1 A 100 100 LYS CA C 103 58.911 59.788 -0.877 1
1 442 . 1 1 1 A 100 100 LYS CB C 103 32.207 31.987 0.220 1
1 443 . 1 1 1 A 100 100 LYS N N 103 119.983 121.470 -1.487 1
1 444 . 1 1 1 A 101 101 GLU H H 104 8.196 nan 8.196 1
1 445 . 1 1 1 A 101 101 GLU C C 104 179.392 178.858 0.534 1
1 446 . 1 1 1 A 101 101 GLU CA C 104 60.288 59.133 1.155 1
1 447 . 1 1 1 A 101 101 GLU CB C 104 29.182 29.524 -0.342 1
1 448 . 1 1 1 A 101 101 GLU N N 104 116.642 119.800 -3.158 1
1 449 . 1 1 1 A 102 102 LEU H H 105 7.747 nan 7.747 1
1 450 . 1 1 1 A 102 102 LEU C C 105 179.038 178.314 0.724 1
1 451 . 1 1 1 A 102 102 LEU CA C 105 58.880 58.153 0.727 1
1 452 . 1 1 1 A 102 102 LEU CB C 105 42.351 41.564 0.787 1
1 453 . 1 1 1 A 102 102 LEU N N 105 122.599 121.170 1.429 1
1 454 . 1 1 1 A 103 103 LEU H H 106 8.737 nan 8.737 1
1 455 . 1 1 1 A 103 103 LEU C C 106 178.907 179.203 -0.296 1
1 456 . 1 1 1 A 103 103 LEU CA C 106 58.686 58.273 0.413 1
1 457 . 1 1 1 A 103 103 LEU CB C 106 40.745 41.180 -0.435 1
1 458 . 1 1 1 A 103 103 LEU N N 106 121.354 117.980 3.374 1
1 459 . 1 1 1 A 104 104 ASP H H 107 8.972 nan 8.972 1
1 460 . 1 1 1 A 104 104 ASP C C 107 178.781 178.918 -0.137 1
1 461 . 1 1 1 A 104 104 ASP CA C 107 58.038 57.548 0.490 1
1 462 . 1 1 1 A 104 104 ASP CB C 107 39.373 40.135 -0.762 1
1 463 . 1 1 1 A 104 104 ASP N N 107 120.013 120.009 0.004 1
1 464 . 1 1 1 A 105 105 LYS H H 108 7.381 nan 7.381 1
1 465 . 1 1 1 A 105 105 LYS C C 108 179.423 179.124 0.299 1
1 466 . 1 1 1 A 105 105 LYS CA C 108 60.172 59.093 1.079 1
1 467 . 1 1 1 A 105 105 LYS CB C 108 32.069 32.180 -0.111 1
1 468 . 1 1 1 A 105 105 LYS N N 108 119.682 120.622 -0.940 1
1 469 . 1 1 1 A 106 106 HIS H H 109 8.447 nan 8.447 1
1 470 . 1 1 1 A 106 106 HIS C C 109 178.687 178.005 0.682 1
1 471 . 1 1 1 A 106 106 HIS CA C 109 61.226 60.206 1.020 1
1 472 . 1 1 1 A 106 106 HIS CB C 109 29.491 30.424 -0.933 1
1 473 . 1 1 1 A 106 106 HIS N N 109 119.825 117.954 1.871 1
1 474 . 1 1 1 A 107 107 ILE H H 110 9.008 nan 9.008 1
1 475 . 1 1 1 A 107 107 ILE C C 110 179.572 178.129 1.443 1
1 476 . 1 1 1 A 107 107 ILE CA C 110 65.695 65.436 0.259 1
1 477 . 1 1 1 A 107 107 ILE CB C 110 38.365 37.918 0.447 1
1 478 . 1 1 1 A 107 107 ILE N N 110 122.552 120.398 2.154 1
1 479 . 1 1 1 A 108 108 LYS H H 111 8.385 nan 8.385 1
1 480 . 1 1 1 A 108 108 LYS C C 111 179.382 178.998 0.384 1
1 481 . 1 1 1 A 108 108 LYS CA C 111 59.851 59.395 0.456 1
1 482 . 1 1 1 A 108 108 LYS CB C 111 32.227 31.872 0.355 1
1 483 . 1 1 1 A 108 108 LYS N N 111 121.337 120.162 1.175 1
1 484 . 1 1 1 A 109 109 GLN H H 112 7.740 nan 7.740 1
1 485 . 1 1 1 A 109 109 GLN C C 112 175.851 176.949 -1.098 1
1 486 . 1 1 1 A 109 109 GLN CA C 112 56.986 57.657 -0.671 1
1 487 . 1 1 1 A 109 109 GLN CB C 112 28.339 28.402 -0.063 1
1 488 . 1 1 1 A 109 109 GLN N N 112 118.053 118.104 -0.051 1
1 489 . 1 1 1 A 110 110 LEU H H 113 7.389 nan 7.389 1
1 490 . 1 1 1 A 110 110 LEU C C 113 176.715 176.255 0.460 1
1 491 . 1 1 1 A 110 110 LEU CA C 113 55.806 55.413 0.393 1
1 492 . 1 1 1 A 110 110 LEU CB C 113 41.787 42.261 -0.474 1
1 493 . 1 1 1 A 110 110 LEU N N 113 116.911 117.716 -0.805 1
1 494 . 1 1 1 A 111 111 HIS H H 114 7.796 nan 7.796 1
1 495 . 1 1 1 A 111 111 HIS C C 114 174.630 174.545 0.085 1
1 496 . 1 1 1 A 111 111 HIS CA C 114 56.589 56.602 -0.013 1
1 497 . 1 1 1 A 111 111 HIS CB C 114 26.410 26.678 -0.268 1
1 498 . 1 1 1 A 111 111 HIS N N 114 113.639 115.426 -1.787 1
1 499 . 1 1 1 A 112 112 LEU H H 115 9.240 nan 9.240 1
1 500 . 1 1 1 A 112 112 LEU C C 115 177.429 176.369 1.060 1
1 501 . 1 1 1 A 112 112 LEU CA C 115 53.803 54.321 -0.518 1
1 502 . 1 1 1 A 112 112 LEU CB C 115 43.239 42.384 0.855 1
1 503 . 1 1 1 A 112 112 LEU N N 115 119.620 119.686 -0.066 1
1 504 . 1 1 1 A 113 113 ASP H H 116 8.064 nan 8.064 1
1 505 . 1 1 1 A 113 113 ASP C C 116 176.392 176.426 -0.034 1
1 506 . 1 1 1 A 113 113 ASP CA C 116 54.352 53.750 0.602 1
1 507 . 1 1 1 A 113 113 ASP CB C 116 41.539 41.808 -0.269 1
1 508 . 1 1 1 A 113 113 ASP N N 116 117.976 120.583 -2.607 1
1 509 . 1 1 1 A 114 114 LYS H H 117 8.511 nan 8.511 1
1 510 . 1 1 1 A 114 114 LYS C C 117 178.360 178.293 0.067 1
1 511 . 1 1 1 A 114 114 LYS CA C 117 59.143 60.542 -1.399 1
1 512 . 1 1 1 A 114 114 LYS CB C 117 32.199 32.270 -0.071 1
1 513 . 1 1 1 A 114 114 LYS N N 117 122.048 122.049 -0.001 1
1 514 . 1 1 1 A 115 115 GLU H H 118 8.345 nan 8.345 1
1 515 . 1 1 1 A 115 115 GLU C C 118 179.450 178.993 0.457 1
1 516 . 1 1 1 A 115 115 GLU CA C 118 59.738 59.477 0.261 1
1 517 . 1 1 1 A 115 115 GLU CB C 118 29.245 29.463 -0.218 1
1 518 . 1 1 1 A 115 115 GLU N N 118 117.855 118.185 -0.330 1
1 519 . 1 1 1 A 116 116 THR H H 119 8.019 nan 8.019 1
1 520 . 1 1 1 A 116 116 THR C C 119 175.572 175.915 -0.343 1
1 521 . 1 1 1 A 116 116 THR CA C 119 67.317 67.628 -0.311 1
1 522 . 1 1 1 A 116 116 THR N N 119 119.570 118.523 1.047 1
1 523 . 1 1 1 A 117 117 GLU H H 120 8.485 nan 8.485 1
1 524 . 1 1 1 A 117 117 GLU C C 120 177.156 179.220 -2.064 1
1 525 . 1 1 1 A 117 117 GLU CA C 120 60.918 59.541 1.377 1
1 526 . 1 1 1 A 117 117 GLU CB C 120 31.549 29.213 2.336 1
1 527 . 1 1 1 A 117 117 GLU N N 120 121.722 121.635 0.087 1
1 528 . 1 1 1 A 118 118 ASN H H 121 8.208 nan 8.208 1
1 529 . 1 1 1 A 118 118 ASN C C 121 177.792 177.518 0.274 1
1 530 . 1 1 1 A 118 118 ASN CA C 121 56.049 55.933 0.116 1
1 531 . 1 1 1 A 118 118 ASN CB C 121 38.488 37.845 0.643 1
1 532 . 1 1 1 A 118 118 ASN N N 121 114.379 118.930 -4.551 1
1 533 . 1 1 1 A 119 119 LYS H H 122 7.792 nan 7.792 1
1 534 . 1 1 1 A 119 119 LYS C C 122 178.729 178.786 -0.057 1
1 535 . 1 1 1 A 119 119 LYS CA C 122 59.980 58.938 1.042 1
1 536 . 1 1 1 A 119 119 LYS CB C 122 32.241 32.138 0.103 1
1 537 . 1 1 1 A 119 119 LYS N N 122 120.530 120.933 -0.403 1
1 538 . 1 1 1 A 120 120 ILE H H 123 7.866 nan 7.866 1
1 539 . 1 1 1 A 120 120 ILE C C 123 176.831 178.360 -1.529 1
1 540 . 1 1 1 A 120 120 ILE CA C 123 66.196 65.543 0.653 1
1 541 . 1 1 1 A 120 120 ILE CB C 123 38.738 37.746 0.992 1
1 542 . 1 1 1 A 120 120 ILE N N 123 119.954 119.833 0.121 1
1 543 . 1 1 1 A 121 121 ILE H H 124 7.836 nan 7.836 1
1 544 . 1 1 1 A 121 121 ILE C C 124 176.219 178.238 -2.019 1
1 545 . 1 1 1 A 121 121 ILE CA C 124 65.587 65.859 -0.272 1
1 546 . 1 1 1 A 121 121 ILE CB C 124 38.322 37.773 0.549 1
1 547 . 1 1 1 A 121 121 ILE N N 124 117.773 121.229 -3.456 1
1 548 . 1 1 1 A 122 122 LYS H H 125 7.750 nan 7.750 1
1 549 . 1 1 1 A 122 122 LYS C C 125 180.461 178.082 2.379 1
1 550 . 1 1 1 A 122 122 LYS CA C 125 58.759 58.935 -0.176 1
1 551 . 1 1 1 A 122 122 LYS CB C 125 32.737 31.973 0.764 1
1 552 . 1 1 1 A 122 122 LYS N N 125 114.288 120.613 -6.325 1
1 553 . 1 1 1 A 123 123 ASP H H 126 8.343 nan 8.343 1
1 554 . 1 1 1 A 123 123 ASP C C 126 180.613 178.146 2.467 1
1 555 . 1 1 1 A 123 123 ASP CA C 126 59.121 57.413 1.708 1
1 556 . 1 1 1 A 123 123 ASP CB C 126 44.445 41.683 2.762 1
1 557 . 1 1 1 A 123 123 ASP N N 126 121.168 119.612 1.556 1
1 558 . 1 1 1 A 124 124 TYR H H 127 7.956 nan 7.956 1
1 559 . 1 1 1 A 124 124 TYR C C 127 175.314 176.606 -1.292 1
1 560 . 1 1 1 A 124 124 TYR CA C 127 59.778 59.833 -0.055 1
1 561 . 1 1 1 A 124 124 TYR CB C 127 36.966 36.961 0.005 1
1 562 . 1 1 1 A 124 124 TYR N N 127 115.235 118.794 -3.559 1
1 563 . 1 1 1 A 125 125 LYS C C 128 176.847 175.940 0.907 1
1 564 . 1 1 1 A 125 125 LYS CA C 128 56.647 55.890 0.757 1
1 565 . 1 1 1 A 125 125 LYS CB C 128 34.474 32.905 1.569 1
1 566 . 1 1 1 A 126 126 THR H H 129 7.487 nan 7.487 1
1 567 . 1 1 1 A 126 126 THR C C 129 171.428 174.419 -2.991 1
1 568 . 1 1 1 A 126 126 THR CA C 129 63.127 62.077 1.050 1
1 569 . 1 1 1 A 126 126 THR CB C 129 70.039 69.731 0.308 1
1 570 . 1 1 1 A 126 126 THR N N 129 118.942 115.262 3.680 1
1 571 . 1 1 1 A 129 129 SER C C 132 174.575 175.579 -1.004 1
1 572 . 1 1 1 A 129 129 SER CA C 132 57.556 57.349 0.207 1
1 573 . 1 1 1 A 129 129 SER CB C 132 65.118 65.340 -0.222 1
1 574 . 1 1 1 A 130 130 LYS H H 133 9.529 nan 9.529 1
1 575 . 1 1 1 A 130 130 LYS C C 133 180.633 178.611 2.022 1
1 576 . 1 1 1 A 130 130 LYS CA C 133 60.856 60.032 0.824 1
1 577 . 1 1 1 A 130 130 LYS CB C 133 32.638 32.003 0.635 1
1 578 . 1 1 1 A 130 130 LYS N N 133 119.238 121.529 -2.291 1
1 579 . 1 1 1 A 131 131 SER H H 134 8.797 nan 8.797 1
1 580 . 1 1 1 A 131 131 SER C C 134 176.560 176.817 -0.257 1
1 581 . 1 1 1 A 131 131 SER CA C 134 63.230 61.200 2.030 1
1 582 . 1 1 1 A 131 131 SER N N 134 116.935 113.809 3.126 1
1 583 . 1 1 1 A 132 132 TRP H H 135 8.208 nan 8.208 1
1 584 . 1 1 1 A 132 132 TRP C C 135 180.446 178.539 1.907 1
1 585 . 1 1 1 A 132 132 TRP CA C 135 61.744 61.028 0.716 1
1 586 . 1 1 1 A 132 132 TRP CB C 135 28.222 29.686 -1.464 1
1 587 . 1 1 1 A 132 132 TRP N N 135 126.960 125.057 1.903 1
1 588 . 1 1 1 A 133 133 LYS C C 136 179.687 178.948 0.739 1
1 589 . 1 1 1 A 133 133 LYS CA C 136 59.492 59.680 -0.188 1
1 590 . 1 1 1 A 133 133 LYS CB C 136 32.437 32.315 0.122 1
1 591 . 1 1 1 A 134 134 ALA H H 137 8.179 nan 8.179 1
1 592 . 1 1 1 A 134 134 ALA C C 137 179.435 179.669 -0.234 1
1 593 . 1 1 1 A 134 134 ALA CA C 137 55.134 54.779 0.355 1
1 594 . 1 1 1 A 134 134 ALA CB C 137 17.620 17.389 0.231 1
1 595 . 1 1 1 A 134 134 ALA N N 137 124.222 122.520 1.702 1
1 596 . 1 1 1 A 135 135 ALA H H 138 7.700 nan 7.700 1
1 597 . 1 1 1 A 135 135 ALA C C 138 181.058 180.340 0.718 1
1 598 . 1 1 1 A 135 135 ALA CA C 138 54.942 55.200 -0.258 1
1 599 . 1 1 1 A 135 135 ALA CB C 138 18.944 18.191 0.753 1
1 600 . 1 1 1 A 135 135 ALA N N 138 119.965 119.222 0.743 1
1 601 . 1 1 1 A 136 136 GLU H H 139 7.469 nan 7.469 1
1 602 . 1 1 1 A 136 136 GLU C C 139 179.387 179.035 0.352 1
1 603 . 1 1 1 A 136 136 GLU CA C 139 59.116 59.487 -0.371 1
1 604 . 1 1 1 A 136 136 GLU CB C 139 29.580 29.784 -0.204 1
1 605 . 1 1 1 A 136 136 GLU N N 139 117.543 117.691 -0.148 1
1 606 . 1 1 1 A 137 137 LYS H H 140 8.152 nan 8.152 1
1 607 . 1 1 1 A 137 137 LYS C C 140 178.315 178.256 0.059 1
1 608 . 1 1 1 A 137 137 LYS CA C 140 59.381 59.107 0.274 1
1 609 . 1 1 1 A 137 137 LYS CB C 140 31.651 32.060 -0.409 1
1 610 . 1 1 1 A 137 137 LYS N N 140 123.106 120.870 2.236 1
1 611 . 1 1 1 A 138 138 ASP H H 141 7.567 nan 7.567 1
1 612 . 1 1 1 A 138 138 ASP C C 141 177.938 179.150 -1.212 1
1 613 . 1 1 1 A 138 138 ASP CA C 141 57.308 57.206 0.102 1
1 614 . 1 1 1 A 138 138 ASP CB C 141 41.974 40.505 1.469 1
1 615 . 1 1 1 A 138 138 ASP N N 141 120.572 119.795 0.777 1
1 616 . 1 1 1 A 139 139 LYS H H 142 6.775 nan 6.775 1
1 617 . 1 1 1 A 139 139 LYS C C 142 179.543 179.224 0.319 1
1 618 . 1 1 1 A 139 139 LYS CA C 142 60.315 59.561 0.754 1
1 619 . 1 1 1 A 139 139 LYS CB C 142 32.028 32.121 -0.093 1
1 620 . 1 1 1 A 139 139 LYS N N 142 114.710 119.887 -5.177 1
1 621 . 1 1 1 A 140 140 LYS H H 143 7.383 nan 7.383 1
1 622 . 1 1 1 A 140 140 LYS C C 143 177.598 178.781 -1.183 1
1 623 . 1 1 1 A 140 140 LYS CA C 143 59.257 58.918 0.339 1
1 624 . 1 1 1 A 140 140 LYS CB C 143 32.492 32.093 0.399 1
1 625 . 1 1 1 A 140 140 LYS N N 143 121.381 120.434 0.947 1
1 626 . 1 1 1 A 141 141 ILE H H 144 8.522 nan 8.522 1
1 627 . 1 1 1 A 141 141 ILE C C 144 179.363 177.302 2.061 1
1 628 . 1 1 1 A 141 141 ILE CA C 144 65.199 66.119 -0.920 1
1 629 . 1 1 1 A 141 141 ILE CB C 144 37.886 38.186 -0.300 1
1 630 . 1 1 1 A 141 141 ILE N N 144 120.663 119.977 0.686 1
1 631 . 1 1 1 A 142 142 ALA H H 145 7.963 nan 7.963 1
1 632 . 1 1 1 A 142 142 ALA C C 145 178.673 179.389 -0.716 1
1 633 . 1 1 1 A 142 142 ALA CA C 145 55.678 55.383 0.295 1
1 634 . 1 1 1 A 142 142 ALA CB C 145 18.680 18.110 0.570 1
1 635 . 1 1 1 A 142 142 ALA N N 145 120.190 121.768 -1.578 1
1 636 . 1 1 1 A 143 143 LYS H H 146 7.614 nan 7.614 1
1 637 . 1 1 1 A 143 143 LYS C C 146 180.979 178.663 2.316 1
1 638 . 1 1 1 A 143 143 LYS CA C 146 59.429 59.472 -0.043 1
1 639 . 1 1 1 A 143 143 LYS CB C 146 32.324 32.198 0.126 1
1 640 . 1 1 1 A 143 143 LYS N N 146 118.820 117.814 1.006 1
1 641 . 1 1 1 A 144 144 ASP H H 147 8.951 nan 8.951 1
1 642 . 1 1 1 A 144 144 ASP C C 147 177.110 177.779 -0.669 1
1 643 . 1 1 1 A 144 144 ASP CA C 147 56.855 56.711 0.144 1
1 644 . 1 1 1 A 144 144 ASP CB C 147 39.861 40.358 -0.497 1
1 645 . 1 1 1 A 144 144 ASP N N 147 122.110 120.182 1.928 1
1 646 . 1 1 1 A 145 145 ASN H H 148 7.358 nan 7.358 1
1 647 . 1 1 1 A 145 145 ASN C C 148 173.001 173.917 -0.916 1
1 648 . 1 1 1 A 145 145 ASN CA C 148 53.173 52.689 0.484 1
1 649 . 1 1 1 A 145 145 ASN CB C 148 39.153 38.479 0.674 1
1 650 . 1 1 1 A 145 145 ASN N N 148 114.564 114.565 -0.001 1
1 651 . 1 1 1 A 146 146 HIS H H 149 7.662 nan 7.662 1
1 652 . 1 1 1 A 146 146 HIS C C 149 174.041 174.147 -0.106 1
1 653 . 1 1 1 A 146 146 HIS CA C 149 56.623 56.479 0.144 1
1 654 . 1 1 1 A 146 146 HIS CB C 149 26.847 26.532 0.315 1
1 655 . 1 1 1 A 146 146 HIS N N 149 114.801 114.803 -0.002 1
1 656 . 1 1 1 A 147 147 ILE H H 150 7.912 nan 7.912 1
1 657 . 1 1 1 A 147 147 ILE C C 150 175.721 175.295 0.426 1
1 658 . 1 1 1 A 147 147 ILE CA C 150 59.211 60.829 -1.618 1
1 659 . 1 1 1 A 147 147 ILE CB C 150 35.203 36.866 -1.663 1
1 660 . 1 1 1 A 147 147 ILE N N 150 119.059 119.547 -0.488 1
1 661 . 1 1 1 A 148 148 LYS H H 151 8.403 nan 8.403 1
1 662 . 1 1 1 A 148 148 LYS CA C 151 55.806 57.848 -2.042 1
1 663 . 1 1 1 A 148 148 LYS CB C 151 34.980 33.038 1.942 1
1 664 . 1 1 1 A 148 148 LYS N N 151 124.799 127.844 -3.045 1
1 665 . 1 1 1 A 149 149 THR H H 152 7.336 nan 7.336 1
1 666 . 1 1 1 A 149 149 THR C C 152 172.439 174.289 -1.850 1
1 667 . 1 1 1 A 149 149 THR CA C 152 60.509 59.990 0.519 1
1 668 . 1 1 1 A 149 149 THR CB C 152 71.160 71.048 0.112 1
1 669 . 1 1 1 A 149 149 THR N N 152 111.901 110.356 1.545 1
1 670 . 1 1 1 A 150 150 THR H H 153 8.168 nan 8.168 1
1 671 . 1 1 1 A 150 150 THR C C 153 172.040 172.417 -0.377 1
1 672 . 1 1 1 A 150 150 THR CA C 153 57.354 58.327 -0.973 1
1 673 . 1 1 1 A 150 150 THR CB C 153 70.559 71.186 -0.627 1
1 674 . 1 1 1 A 150 150 THR N N 153 111.942 112.637 -0.695 1
1 675 . 1 1 1 A 151 151 PRO C C 154 177.602 175.955 1.647 1
1 676 . 1 1 1 A 151 151 PRO CA C 154 62.605 62.360 0.245 1
1 677 . 1 1 1 A 151 151 PRO CB C 154 35.236 32.543 2.693 1
1 678 . 1 1 1 A 152 152 THR H H 155 8.175 nan 8.175 1
1 679 . 1 1 1 A 152 152 THR C C 155 171.619 172.996 -1.377 1
1 680 . 1 1 1 A 152 152 THR CA C 155 63.375 61.048 2.327 1
1 681 . 1 1 1 A 152 152 THR CB C 155 71.737 72.188 -0.451 1
1 682 . 1 1 1 A 152 152 THR N N 155 114.555 116.651 -2.096 1
1 683 . 1 1 1 A 153 153 ALA H H 156 9.233 nan 9.233 1
1 684 . 1 1 1 A 153 153 ALA C C 156 174.863 175.086 -0.223 1
1 685 . 1 1 1 A 153 153 ALA CA C 156 50.379 50.297 0.082 1
1 686 . 1 1 1 A 153 153 ALA CB C 156 23.107 23.265 -0.158 1
1 687 . 1 1 1 A 153 153 ALA N N 156 109.118 125.693 -16.575 1
1 688 . 1 1 1 A 154 154 PHE H H 157 9.436 nan 9.436 1
1 689 . 1 1 1 A 154 154 PHE C C 157 175.416 175.200 0.216 1
1 690 . 1 1 1 A 154 154 PHE CA C 157 56.246 55.951 0.295 1
1 691 . 1 1 1 A 154 154 PHE CB C 157 45.232 43.745 1.487 1
1 692 . 1 1 1 A 154 154 PHE N N 157 118.423 117.571 0.852 1
1 693 . 1 1 1 A 155 155 ILE H H 158 9.037 nan 9.037 1
1 694 . 1 1 1 A 155 155 ILE C C 158 176.289 176.216 0.073 1
1 695 . 1 1 1 A 155 155 ILE CA C 158 60.525 60.327 0.198 1
1 696 . 1 1 1 A 155 155 ILE CB C 158 39.213 40.037 -0.824 1
1 697 . 1 1 1 A 155 155 ILE N N 158 118.518 121.662 -3.144 1
1 698 . 1 1 1 A 156 156 ASN H H 159 9.473 nan 9.473 1
1 699 . 1 1 1 A 156 156 ASN C C 159 175.462 175.526 -0.064 1
1 700 . 1 1 1 A 156 156 ASN CA C 159 54.228 54.728 -0.500 1
1 701 . 1 1 1 A 156 156 ASN CB C 159 37.134 37.293 -0.159 1
1 702 . 1 1 1 A 156 156 ASN N N 159 128.652 128.680 -0.028 1
1 703 . 1 1 1 A 157 157 GLY H H 160 8.794 nan 8.794 1
1 704 . 1 1 1 A 157 157 GLY C C 160 173.374 173.976 -0.602 1
1 705 . 1 1 1 A 157 157 GLY CA C 160 45.749 45.421 0.328 1
1 706 . 1 1 1 A 157 157 GLY N N 160 125.626 103.974 21.652 1
1 707 . 1 1 1 A 158 158 GLU H H 161 8.228 nan 8.228 1
1 708 . 1 1 1 A 158 158 GLU C C 161 175.028 175.942 -0.914 1
1 709 . 1 1 1 A 158 158 GLU CA C 161 55.133 55.703 -0.570 1
1 710 . 1 1 1 A 158 158 GLU CB C 161 31.095 30.765 0.330 1
1 711 . 1 1 1 A 158 158 GLU N N 161 122.902 120.597 2.305 1
1 712 . 1 1 1 A 159 159 LYS H H 162 8.535 nan 8.535 1
1 713 . 1 1 1 A 159 159 LYS C C 162 176.123 176.324 -0.201 1
1 714 . 1 1 1 A 159 159 LYS CA C 162 57.050 56.488 0.562 1
1 715 . 1 1 1 A 159 159 LYS CB C 162 32.980 32.982 -0.002 1
1 716 . 1 1 1 A 159 159 LYS N N 162 127.013 124.936 2.077 1
1 717 . 1 1 1 A 160 160 VAL H H 163 8.212 nan 8.212 1
1 718 . 1 1 1 A 160 160 VAL C C 163 176.412 175.356 1.056 1
1 719 . 1 1 1 A 160 160 VAL CA C 163 62.347 63.169 -0.822 1
1 720 . 1 1 1 A 160 160 VAL CB C 163 31.155 30.665 0.490 1
1 721 . 1 1 1 A 160 160 VAL N N 163 128.579 126.769 1.810 1
1 722 . 1 1 1 A 161 161 GLU H H 164 8.432 nan 8.432 1
1 723 . 1 1 1 A 161 161 GLU C C 164 176.449 176.541 -0.092 1
1 724 . 1 1 1 A 161 161 GLU CA C 164 59.705 59.566 0.139 1
1 725 . 1 1 1 A 161 161 GLU CB C 164 29.885 29.693 0.192 1
1 726 . 1 1 1 A 161 161 GLU N N 164 128.370 127.168 1.202 1
1 727 . 1 1 1 A 162 162 ASP H H 165 7.259 nan 7.259 1
1 728 . 1 1 1 A 162 162 ASP C C 165 174.531 174.778 -0.247 1
1 729 . 1 1 1 A 162 162 ASP CA C 165 49.975 50.841 -0.866 1
1 730 . 1 1 1 A 162 162 ASP CB C 165 41.459 41.758 -0.299 1
1 731 . 1 1 1 A 162 162 ASP N N 165 115.070 118.267 -3.197 1
1 732 . 1 1 1 A 163 163 PRO C C 166 175.846 176.974 -1.128 1
1 733 . 1 1 1 A 163 163 PRO CA C 166 63.177 64.148 -0.971 1
1 734 . 1 1 1 A 163 163 PRO CB C 166 31.575 31.616 -0.041 1
1 735 . 1 1 1 A 164 164 TYR H H 167 7.597 nan 7.597 1
1 736 . 1 1 1 A 164 164 TYR C C 167 173.988 175.491 -1.503 1
1 737 . 1 1 1 A 164 164 TYR CA C 167 57.204 58.512 -1.308 1
1 738 . 1 1 1 A 164 164 TYR CB C 167 38.004 39.018 -1.014 1
1 739 . 1 1 1 A 164 164 TYR N N 167 116.702 118.257 -1.555 1
1 740 . 1 1 1 A 165 165 ASP H H 168 7.437 nan 7.437 1
1 741 . 1 1 1 A 165 165 ASP C C 168 176.700 176.038 0.662 1
1 742 . 1 1 1 A 165 165 ASP CA C 168 51.867 52.700 -0.833 1
1 743 . 1 1 1 A 165 165 ASP CB C 168 43.086 41.820 1.266 1
1 744 . 1 1 1 A 165 165 ASP N N 168 119.750 121.872 -2.122 1
1 745 . 1 1 1 A 166 166 TYR H H 169 9.264 nan 9.264 1
1 746 . 1 1 1 A 166 166 TYR C C 169 177.007 177.325 -0.318 1
1 747 . 1 1 1 A 166 166 TYR CA C 169 62.473 62.476 -0.003 1
1 748 . 1 1 1 A 166 166 TYR CB C 169 39.226 39.294 -0.068 1
1 749 . 1 1 1 A 166 166 TYR N N 169 127.782 127.600 0.182 1
1 750 . 1 1 1 A 167 167 GLU H H 170 8.568 nan 8.568 1
1 751 . 1 1 1 A 167 167 GLU C C 170 178.573 178.779 -0.206 1
1 752 . 1 1 1 A 167 167 GLU CA C 170 59.670 59.510 0.160 1
1 753 . 1 1 1 A 167 167 GLU CB C 170 29.031 29.287 -0.256 1
1 754 . 1 1 1 A 167 167 GLU N N 170 117.246 118.535 -1.289 1
1 755 . 1 1 1 A 168 168 SER H H 171 7.850 nan 7.850 1
1 756 . 1 1 1 A 168 168 SER C C 171 176.338 176.776 -0.438 1
1 757 . 1 1 1 A 168 168 SER CA C 171 62.123 61.112 1.011 1
1 758 . 1 1 1 A 168 168 SER CB C 171 63.977 62.853 1.124 1
1 759 . 1 1 1 A 168 168 SER N N 171 115.496 115.938 -0.442 1
1 760 . 1 1 1 A 169 169 TYR H H 172 7.512 nan 7.512 1
1 761 . 1 1 1 A 169 169 TYR C C 172 177.712 178.147 -0.435 1
1 762 . 1 1 1 A 169 169 TYR CA C 172 60.448 60.994 -0.546 1
1 763 . 1 1 1 A 169 169 TYR CB C 172 37.045 37.718 -0.673 1
1 764 . 1 1 1 A 169 169 TYR N N 172 118.769 119.537 -0.768 1
1 765 . 1 1 1 A 170 170 GLU H H 173 7.564 nan 7.564 1
1 766 . 1 1 1 A 170 170 GLU C C 173 177.989 178.579 -0.590 1
1 767 . 1 1 1 A 170 170 GLU CA C 173 60.043 59.807 0.236 1
1 768 . 1 1 1 A 170 170 GLU CB C 173 29.969 28.947 1.022 1
1 769 . 1 1 1 A 170 170 GLU N N 173 118.710 119.802 -1.092 1
1 770 . 1 1 1 A 171 171 LYS H H 174 7.980 nan 7.980 1
1 771 . 1 1 1 A 171 171 LYS C C 174 178.245 179.118 -0.873 1
1 772 . 1 1 1 A 171 171 LYS CA C 174 59.741 59.365 0.376 1
1 773 . 1 1 1 A 171 171 LYS CB C 174 32.517 32.036 0.481 1
1 774 . 1 1 1 A 171 171 LYS N N 174 116.333 119.708 -3.375 1
1 775 . 1 1 1 A 172 172 LEU H H 175 6.766 nan 6.766 1
1 776 . 1 1 1 A 172 172 LEU C C 175 178.168 179.589 -1.421 1
1 777 . 1 1 1 A 172 172 LEU CA C 175 56.275 57.497 -1.222 1
1 778 . 1 1 1 A 172 172 LEU CB C 175 43.399 41.324 2.075 1
1 779 . 1 1 1 A 172 172 LEU N N 175 116.812 119.458 -2.646 1
1 780 . 1 1 1 A 173 173 LEU H H 176 7.773 nan 7.773 1
1 781 . 1 1 1 A 173 173 LEU C C 176 178.693 178.198 0.495 1
1 782 . 1 1 1 A 173 173 LEU CA C 176 56.874 56.174 0.700 1
1 783 . 1 1 1 A 173 173 LEU CB C 176 42.766 41.731 1.035 1
1 784 . 1 1 1 A 173 173 LEU N N 176 118.595 120.140 -1.545 1
1 785 . 1 1 1 A 174 174 LYS H H 177 8.075 nan 8.075 1
1 786 . 1 1 1 A 174 174 LYS C C 177 177.417 179.081 -1.664 1
1 787 . 1 1 1 A 174 174 LYS CA C 177 59.605 60.096 -0.491 1
1 788 . 1 1 1 A 174 174 LYS CB C 177 32.468 32.368 0.100 1
1 789 . 1 1 1 A 174 174 LYS N N 177 118.442 120.069 -1.627 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 160 1.140 1
2 1 1 1 "RMS(OBS, PRED)" CA 161 0.969 1
3 1 1 1 "RMS(OBS, PRED)" CB 155 1.014 1
4 1 1 1 "RMS(OBS, PRED)" H 151 nan 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 151 4.483 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 12 . 1 1 A 12 12 LYS H H 15 8.140 0.000 8.140 2
1 13 . 1 1 A 12 12 LYS C C 15 174.149 175.482 -1.333 2
1 14 . 1 1 A 12 12 LYS CA C 15 54.599 54.375 0.224 2
1 15 . 1 1 A 12 12 LYS CB C 15 33.080 33.253 -0.173 2
1 16 . 1 1 A 12 12 LYS N N 15 121.837 119.828 2.009 2
1 17 . 1 1 A 13 13 PRO C C 16 173.620 175.159 -1.539 2
1 18 . 1 1 A 13 13 PRO CA C 16 63.012 63.368 -0.356 2
1 19 . 1 1 A 13 13 PRO CB C 16 32.278 32.293 -0.015 2
1 20 . 1 1 A 14 14 LEU H H 17 8.206 0.000 8.206 2
1 21 . 1 1 A 14 14 LEU C C 17 175.816 174.796 1.020 2
1 22 . 1 1 A 14 14 LEU CA C 17 53.740 53.349 0.391 2
1 23 . 1 1 A 14 14 LEU CB C 17 44.555 44.772 -0.217 2
1 24 . 1 1 A 14 14 LEU N N 17 123.337 124.186 -0.849 2
1 25 . 1 1 A 15 15 VAL H H 18 9.197 0.000 9.197 2
1 26 . 1 1 A 15 15 VAL C C 18 173.697 175.113 -1.416 2
1 27 . 1 1 A 15 15 VAL CA C 18 61.116 61.727 -0.611 2
1 28 . 1 1 A 15 15 VAL CB C 18 33.014 33.360 -0.346 2
1 29 . 1 1 A 15 15 VAL N N 18 129.437 128.558 0.879 2
1 30 . 1 1 A 16 16 VAL H H 19 9.152 0.000 9.152 2
1 31 . 1 1 A 16 16 VAL C C 19 175.184 174.845 0.339 2
1 32 . 1 1 A 16 16 VAL CA C 19 60.077 60.679 -0.602 2
1 33 . 1 1 A 16 16 VAL CB C 19 34.852 34.073 0.779 2
1 34 . 1 1 A 16 16 VAL N N 19 127.218 128.222 -1.004 2
1 35 . 1 1 A 17 17 VAL H H 20 8.509 0.000 8.509 2
1 36 . 1 1 A 17 17 VAL C C 20 173.891 174.774 -0.883 2
1 37 . 1 1 A 17 17 VAL CA C 20 61.556 60.891 0.665 2
1 38 . 1 1 A 17 17 VAL CB C 20 35.245 34.303 0.942 2
1 39 . 1 1 A 17 17 VAL N N 20 125.915 126.958 -1.043 2
1 40 . 1 1 A 18 18 TYR H H 21 9.281 0.000 9.281 2
1 41 . 1 1 A 18 18 TYR C C 21 176.215 176.323 -0.108 2
1 42 . 1 1 A 18 18 TYR CA C 21 56.049 55.953 0.096 2
1 43 . 1 1 A 18 18 TYR CB C 21 39.099 40.683 -1.584 2
1 44 . 1 1 A 18 18 TYR N N 21 125.937 126.840 -0.903 2
1 45 . 1 1 A 19 19 GLY H H 22 8.392 0.000 8.392 2
1 46 . 1 1 A 19 19 GLY C C 22 170.352 171.555 -1.203 2
1 47 . 1 1 A 19 19 GLY CA C 22 47.598 46.205 1.393 2
1 48 . 1 1 A 19 19 GLY N N 22 107.933 110.506 -2.573 2
1 49 . 1 1 A 20 20 ASP H H 23 7.865 0.000 7.865 2
1 50 . 1 1 A 20 20 ASP C C 23 178.073 175.838 2.235 2
1 51 . 1 1 A 20 20 ASP CA C 23 55.143 53.924 1.219 2
1 52 . 1 1 A 20 20 ASP CB C 23 46.112 44.371 1.741 2
1 53 . 1 1 A 20 20 ASP N N 23 119.883 121.958 -2.075 2
1 54 . 1 1 A 21 21 TYR H H 24 7.877 0.000 7.877 2
1 55 . 1 1 A 21 21 TYR C C 24 175.989 177.345 -1.356 2
1 56 . 1 1 A 21 21 TYR CA C 24 62.128 60.965 1.163 2
1 57 . 1 1 A 21 21 TYR CB C 24 37.722 37.834 -0.112 2
1 58 . 1 1 A 21 21 TYR N N 24 125.361 125.220 0.141 2
1 59 . 1 1 A 22 22 LYS H H 25 9.741 0.000 9.741 2
1 60 . 1 1 A 22 22 LYS C C 25 176.130 176.778 -0.648 2
1 61 . 1 1 A 22 22 LYS CA C 25 57.163 56.373 0.790 2
1 62 . 1 1 A 22 22 LYS CB C 25 32.157 32.931 -0.774 2
1 63 . 1 1 A 22 22 LYS N N 25 115.895 116.492 -0.597 2
1 64 . 1 1 A 23 23 CYS H H 26 7.651 0.000 7.651 2
1 65 . 1 1 A 23 23 CYS C C 26 177.014 174.563 2.451 2
1 66 . 1 1 A 23 23 CYS CA C 26 57.586 56.918 0.668 2
1 67 . 1 1 A 23 23 CYS CB C 26 30.696 29.265 1.431 2
1 68 . 1 1 A 23 23 CYS N N 26 122.836 121.975 0.861 2
1 69 . 1 1 A 24 24 PRO C C 27 179.488 178.711 0.777 2
1 70 . 1 1 A 24 24 PRO CA C 27 64.394 65.421 -1.027 2
1 71 . 1 1 A 24 24 PRO CB C 27 32.090 31.745 0.345 2
1 72 . 1 1 A 25 25 TYR H H 28 9.242 0.000 9.242 2
1 73 . 1 1 A 25 25 TYR C C 28 179.414 178.439 0.975 2
1 74 . 1 1 A 25 25 TYR CA C 28 61.198 60.987 0.211 2
1 75 . 1 1 A 25 25 TYR CB C 28 37.180 37.373 -0.193 2
1 76 . 1 1 A 25 25 TYR N N 28 126.948 117.174 9.774 2
1 77 . 1 1 A 26 26 CYS H H 29 9.499 0.000 9.499 2
1 78 . 1 1 A 26 26 CYS C C 29 176.441 176.977 -0.536 2
1 79 . 1 1 A 26 26 CYS CA C 29 64.290 63.447 0.843 2
1 80 . 1 1 A 26 26 CYS CB C 29 29.193 27.142 2.051 2
1 81 . 1 1 A 26 26 CYS N N 29 128.257 118.882 9.375 2
1 82 . 1 1 A 27 27 LYS H H 30 7.498 0.000 7.498 2
1 83 . 1 1 A 27 27 LYS C C 30 177.129 178.590 -1.461 2
1 84 . 1 1 A 27 27 LYS CA C 30 59.803 59.219 0.584 2
1 85 . 1 1 A 27 27 LYS CB C 30 32.381 32.132 0.249 2
1 86 . 1 1 A 27 27 LYS N N 30 121.531 121.992 -0.461 2
1 87 . 1 1 A 28 28 GLU H H 31 7.228 0.000 7.228 2
1 88 . 1 1 A 28 28 GLU C C 31 178.354 179.164 -0.810 2
1 89 . 1 1 A 28 28 GLU CA C 31 59.655 58.959 0.696 2
1 90 . 1 1 A 28 28 GLU CB C 31 29.249 29.683 -0.434 2
1 91 . 1 1 A 28 28 GLU N N 31 119.257 119.753 -0.496 2
1 92 . 1 1 A 29 29 LEU H H 32 7.830 0.000 7.830 2
1 93 . 1 1 A 29 29 LEU C C 32 179.566 177.950 1.616 2
1 94 . 1 1 A 29 29 LEU CA C 32 60.961 57.908 3.053 2
1 95 . 1 1 A 29 29 LEU CB C 32 42.834 41.486 1.348 2
1 96 . 1 1 A 29 29 LEU N N 32 121.297 121.876 -0.579 2
1 97 . 1 1 A 30 30 ASP H H 33 8.048 0.000 8.048 2
1 98 . 1 1 A 30 30 ASP C C 33 177.938 178.225 -0.287 2
1 99 . 1 1 A 30 30 ASP CA C 33 59.049 57.754 1.295 2
1 100 . 1 1 A 30 30 ASP CB C 33 43.981 41.849 2.132 2
1 101 . 1 1 A 30 30 ASP N N 33 122.240 118.675 3.565 2
1 102 . 1 1 A 31 31 GLU H H 34 8.134 0.000 8.134 2
1 103 . 1 1 A 31 31 GLU C C 34 178.762 179.209 -0.447 2
1 104 . 1 1 A 31 31 GLU CA C 34 59.131 59.105 0.026 2
1 105 . 1 1 A 31 31 GLU CB C 34 30.714 29.332 1.382 2
1 106 . 1 1 A 31 31 GLU N N 34 115.623 118.055 -2.432 2
1 107 . 1 1 A 32 32 LYS H H 35 8.467 0.000 8.467 2
1 108 . 1 1 A 32 32 LYS C C 35 178.720 178.280 0.440 2
1 109 . 1 1 A 32 32 LYS CA C 35 58.719 58.594 0.125 2
1 110 . 1 1 A 32 32 LYS CB C 35 35.070 33.061 2.009 2
1 111 . 1 1 A 32 32 LYS N N 35 114.739 118.567 -3.828 2
1 112 . 1 1 A 33 33 VAL H H 36 8.643 0.000 8.643 2
1 113 . 1 1 A 33 33 VAL C C 36 176.462 177.918 -1.456 2
1 114 . 1 1 A 33 33 VAL CA C 36 64.697 64.873 -0.176 2
1 115 . 1 1 A 33 33 VAL CB C 36 34.004 31.875 2.129 2
1 116 . 1 1 A 33 33 VAL N N 36 118.534 119.377 -0.843 2
1 117 . 1 1 A 34 34 MET H H 37 7.094 0.000 7.094 2
1 118 . 1 1 A 34 34 MET C C 37 174.719 176.313 -1.594 2
1 119 . 1 1 A 34 34 MET CA C 37 58.086 59.014 -0.928 2
1 120 . 1 1 A 34 34 MET CB C 37 28.458 30.892 -2.434 2
1 121 . 1 1 A 34 34 MET N N 37 116.831 117.627 -0.796 2
1 122 . 1 1 A 35 35 PRO C C 38 180.099 179.457 0.642 2
1 123 . 1 1 A 35 35 PRO CA C 38 67.120 66.211 0.909 2
1 124 . 1 1 A 35 35 PRO CB C 38 31.148 30.584 0.564 2
1 125 . 1 1 A 36 36 LYS H H 39 7.185 0.000 7.185 2
1 126 . 1 1 A 36 36 LYS C C 39 178.465 178.924 -0.459 2
1 127 . 1 1 A 36 36 LYS CA C 39 59.160 58.784 0.376 2
1 128 . 1 1 A 36 36 LYS CB C 39 32.584 31.323 1.261 2
1 129 . 1 1 A 36 36 LYS N N 39 115.941 117.858 -1.917 2
1 130 . 1 1 A 37 37 LEU H H 40 8.163 0.000 8.163 2
1 131 . 1 1 A 37 37 LEU C C 40 180.461 178.437 2.024 2
1 132 . 1 1 A 37 37 LEU CA C 40 58.754 57.827 0.927 2
1 133 . 1 1 A 37 37 LEU CB C 40 43.194 41.625 1.569 2
1 134 . 1 1 A 37 37 LEU N N 40 121.305 121.160 0.145 2
1 135 . 1 1 A 38 38 ARG H H 41 9.506 0.000 9.506 2
1 136 . 1 1 A 38 38 ARG C C 41 177.336 178.676 -1.340 2
1 137 . 1 1 A 38 38 ARG CA C 41 60.539 59.764 0.775 2
1 138 . 1 1 A 38 38 ARG CB C 41 30.144 29.729 0.415 2
1 139 . 1 1 A 38 38 ARG N N 41 118.882 118.724 0.158 2
1 140 . 1 1 A 39 39 LYS H H 42 7.208 0.000 7.208 2
1 141 . 1 1 A 39 39 LYS C C 42 177.454 178.714 -1.260 2
1 142 . 1 1 A 39 39 LYS CA C 42 58.788 59.351 -0.563 2
1 143 . 1 1 A 39 39 LYS CB C 42 33.056 32.242 0.814 2
1 144 . 1 1 A 39 39 LYS N N 42 116.870 119.236 -2.366 2
1 145 . 1 1 A 40 40 ASN H H 43 7.832 0.000 7.832 2
1 146 . 1 1 A 40 40 ASN C C 43 175.949 175.481 0.468 2
1 147 . 1 1 A 40 40 ASN CA C 43 55.016 54.250 0.766 2
1 148 . 1 1 A 40 40 ASN CB C 43 40.474 39.061 1.413 2
1 149 . 1 1 A 40 40 ASN N N 43 111.275 115.846 -4.571 2
1 150 . 1 1 A 41 41 TYR H H 44 7.891 0.000 7.891 2
1 151 . 1 1 A 41 41 TYR C C 44 175.139 176.521 -1.382 2
1 152 . 1 1 A 41 41 TYR CA C 44 60.820 58.807 2.013 2
1 153 . 1 1 A 41 41 TYR CB C 44 41.929 40.404 1.525 2
1 154 . 1 1 A 41 41 TYR N N 44 115.297 116.868 -1.571 2
1 155 . 1 1 A 42 42 ILE H H 45 7.987 0.000 7.987 2
1 156 . 1 1 A 42 42 ILE C C 45 179.903 178.062 1.841 2
1 157 . 1 1 A 42 42 ILE CA C 45 64.810 63.538 1.272 2
1 158 . 1 1 A 42 42 ILE CB C 45 39.767 38.016 1.751 2
1 159 . 1 1 A 42 42 ILE N N 45 117.648 120.871 -3.223 2
1 160 . 1 1 A 43 43 ASP H H 46 9.427 0.000 9.427 2
1 161 . 1 1 A 43 43 ASP C C 46 176.346 177.371 -1.025 2
1 162 . 1 1 A 43 43 ASP CA C 46 57.179 57.124 0.055 2
1 163 . 1 1 A 43 43 ASP CB C 46 39.853 40.275 -0.422 2
1 164 . 1 1 A 43 43 ASP N N 46 122.997 119.305 3.692 2
1 165 . 1 1 A 44 44 ASN H H 47 7.653 0.000 7.653 2
1 166 . 1 1 A 44 44 ASN C C 47 175.353 174.678 0.675 2
1 167 . 1 1 A 44 44 ASN CA C 47 51.781 51.941 -0.160 2
1 168 . 1 1 A 44 44 ASN CB C 47 36.961 37.225 -0.264 2
1 169 . 1 1 A 44 44 ASN N N 47 112.758 113.700 -0.942 2
1 170 . 1 1 A 45 45 HIS H H 48 7.844 0.000 7.844 2
1 171 . 1 1 A 45 45 HIS C C 48 174.735 174.924 -0.189 2
1 172 . 1 1 A 45 45 HIS CA C 48 57.012 56.893 0.119 2
1 173 . 1 1 A 45 45 HIS CB C 48 27.215 26.812 0.403 2
1 174 . 1 1 A 45 45 HIS N N 48 111.524 113.887 -2.363 2
1 175 . 1 1 A 46 46 LYS H H 49 8.055 0.000 8.055 2
1 176 . 1 1 A 46 46 LYS C C 49 176.814 176.664 0.150 2
1 177 . 1 1 A 46 46 LYS CA C 49 58.725 57.655 1.070 2
1 178 . 1 1 A 46 46 LYS CB C 49 34.393 33.143 1.250 2
1 179 . 1 1 A 46 46 LYS N N 49 116.984 117.858 -0.874 2
1 180 . 1 1 A 47 47 VAL H H 50 7.644 0.000 7.644 2
1 181 . 1 1 A 47 47 VAL C C 50 174.533 174.338 0.195 2
1 182 . 1 1 A 47 47 VAL CA C 50 58.057 58.646 -0.589 2
1 183 . 1 1 A 47 47 VAL CB C 50 35.139 35.594 -0.455 2
1 184 . 1 1 A 47 47 VAL N N 50 107.475 112.933 -5.458 2
1 185 . 1 1 A 48 48 GLU H H 51 8.876 0.000 8.876 2
1 186 . 1 1 A 48 48 GLU C C 51 173.909 174.534 -0.625 2
1 187 . 1 1 A 48 48 GLU CA C 51 55.237 55.036 0.201 2
1 188 . 1 1 A 48 48 GLU CB C 51 31.935 31.702 0.233 2
1 189 . 1 1 A 48 48 GLU N N 51 121.645 120.818 0.827 2
1 190 . 1 1 A 49 49 TYR H H 52 8.681 0.000 8.681 2
1 191 . 1 1 A 49 49 TYR C C 52 173.910 174.240 -0.330 2
1 192 . 1 1 A 49 49 TYR CA C 52 55.538 56.634 -1.096 2
1 193 . 1 1 A 49 49 TYR CB C 52 42.582 42.183 0.399 2
1 194 . 1 1 A 49 49 TYR N N 52 125.121 125.448 -0.327 2
1 195 . 1 1 A 50 50 GLN H H 53 8.754 0.000 8.754 2
1 196 . 1 1 A 50 50 GLN C C 53 171.338 173.066 -1.728 2
1 197 . 1 1 A 50 50 GLN CA C 53 54.196 54.329 -0.133 2
1 198 . 1 1 A 50 50 GLN CB C 53 32.159 32.351 -0.192 2
1 199 . 1 1 A 50 50 GLN N N 53 108.294 126.890 -18.596 2
1 200 . 1 1 A 51 51 PHE H H 54 8.335 0.000 8.335 2
1 201 . 1 1 A 51 51 PHE C C 54 175.355 173.509 1.846 2
1 202 . 1 1 A 51 51 PHE CA C 54 55.067 56.159 -1.092 2
1 203 . 1 1 A 51 51 PHE CB C 54 40.893 41.343 -0.450 2
1 204 . 1 1 A 51 51 PHE N N 54 126.442 127.680 -1.238 2
1 205 . 1 1 A 52 52 VAL H H 55 8.898 0.000 8.898 2
1 206 . 1 1 A 52 52 VAL C C 55 172.810 173.774 -0.964 2
1 207 . 1 1 A 52 52 VAL CA C 55 61.278 61.163 0.115 2
1 208 . 1 1 A 52 52 VAL CB C 55 32.540 32.523 0.017 2
1 209 . 1 1 A 52 52 VAL N N 55 110.580 127.202 -16.622 2
1 210 . 1 1 A 53 53 ASN H H 56 9.074 0.000 9.074 2
1 211 . 1 1 A 53 53 ASN C C 56 175.635 176.145 -0.510 2
1 212 . 1 1 A 53 53 ASN CA C 56 50.877 52.127 -1.250 2
1 213 . 1 1 A 53 53 ASN CB C 56 40.003 38.510 1.493 2
1 214 . 1 1 A 53 53 ASN N N 56 127.553 126.579 0.974 2
1 215 . 1 1 A 54 54 LEU H H 57 8.872 0.000 8.872 2
1 216 . 1 1 A 54 54 LEU C C 57 177.152 176.394 0.758 2
1 217 . 1 1 A 54 54 LEU CA C 57 59.665 56.488 3.177 2
1 218 . 1 1 A 54 54 LEU CB C 57 44.192 41.994 2.198 2
1 219 . 1 1 A 54 54 LEU N N 57 127.581 126.492 1.089 2
1 220 . 1 1 A 55 55 ALA H H 58 8.952 0.000 8.952 2
1 221 . 1 1 A 55 55 ALA C C 58 176.837 177.360 -0.523 2
1 222 . 1 1 A 55 55 ALA CA C 58 52.663 53.078 -0.415 2
1 223 . 1 1 A 55 55 ALA CB C 58 17.492 17.189 0.303 2
1 224 . 1 1 A 55 55 ALA N N 58 119.042 121.115 -2.073 2
1 225 . 1 1 A 56 56 PHE H H 59 8.763 0.000 8.763 2
1 226 . 1 1 A 56 56 PHE C C 59 176.630 176.085 0.545 2
1 227 . 1 1 A 56 56 PHE CA C 59 56.426 57.034 -0.608 2
1 228 . 1 1 A 56 56 PHE CB C 59 41.224 40.223 1.001 2
1 229 . 1 1 A 56 56 PHE N N 59 117.213 113.656 3.557 2
1 230 . 1 1 A 57 57 LEU H H 60 7.957 0.000 7.957 2
1 231 . 1 1 A 57 57 LEU C C 60 176.119 175.733 0.386 2
1 232 . 1 1 A 57 57 LEU CA C 60 55.583 54.044 1.539 2
1 233 . 1 1 A 57 57 LEU CB C 60 41.561 41.802 -0.241 2
1 234 . 1 1 A 57 57 LEU N N 60 126.287 118.777 7.510 2
1 235 . 1 1 A 58 58 GLY H H 61 7.489 0.000 7.489 2
1 236 . 1 1 A 58 58 GLY C C 61 175.639 174.448 1.191 2
1 237 . 1 1 A 58 58 GLY CA C 61 44.459 44.521 -0.062 2
1 238 . 1 1 A 58 58 GLY N N 61 127.607 107.406 20.201 2
1 239 . 1 1 A 59 59 LYS C C 62 176.620 176.890 -0.270 2
1 240 . 1 1 A 59 59 LYS CA C 62 59.180 58.568 0.612 2
1 241 . 1 1 A 59 59 LYS CB C 62 32.434 31.971 0.463 2
1 242 . 1 1 A 60 60 ASP H H 63 10.174 0.000 10.174 2
1 243 . 1 1 A 60 60 ASP C C 63 177.690 178.326 -0.636 2
1 244 . 1 1 A 60 60 ASP CA C 63 54.241 55.120 -0.879 2
1 245 . 1 1 A 60 60 ASP CB C 63 38.710 40.427 -1.717 2
1 246 . 1 1 A 60 60 ASP N N 63 114.572 120.265 -5.693 2
1 247 . 1 1 A 61 61 SER H H 64 7.387 0.000 7.387 2
1 248 . 1 1 A 61 61 SER C C 64 178.370 175.823 2.547 2
1 249 . 1 1 A 61 61 SER CA C 64 63.607 62.364 1.243 2
1 250 . 1 1 A 61 61 SER CB C 64 62.296 63.104 -0.808 2
1 251 . 1 1 A 61 61 SER N N 64 117.539 117.520 0.019 2
1 252 . 1 1 A 62 62 ILE H H 65 7.869 0.000 7.869 2
1 253 . 1 1 A 62 62 ILE C C 65 174.879 178.041 -3.162 2
1 254 . 1 1 A 62 62 ILE CA C 65 60.966 63.637 -2.671 2
1 255 . 1 1 A 62 62 ILE CB C 65 38.466 37.565 0.901 2
1 256 . 1 1 A 62 62 ILE N N 65 118.706 121.198 -2.492 2
1 257 . 1 1 A 63 63 VAL H H 66 6.995 0.000 6.995 2
1 258 . 1 1 A 63 63 VAL C C 66 178.345 177.982 0.363 2
1 259 . 1 1 A 63 63 VAL CA C 66 66.817 66.201 0.616 2
1 260 . 1 1 A 63 63 VAL CB C 66 30.898 31.534 -0.636 2
1 261 . 1 1 A 63 63 VAL N N 66 125.502 121.357 4.145 2
1 262 . 1 1 A 64 64 GLY H H 67 7.228 0.000 7.228 2
1 263 . 1 1 A 64 64 GLY C C 67 174.412 176.134 -1.722 2
1 264 . 1 1 A 64 64 GLY CA C 67 47.661 47.409 0.252 2
1 265 . 1 1 A 64 64 GLY N N 67 123.490 107.923 15.567 2
1 266 . 1 1 A 65 65 SER H H 68 7.864 0.000 7.864 2
1 267 . 1 1 A 65 65 SER C C 68 177.796 177.438 0.358 2
1 268 . 1 1 A 65 65 SER CA C 68 59.950 61.435 -1.485 2
1 269 . 1 1 A 65 65 SER CB C 68 64.400 62.922 1.478 2
1 270 . 1 1 A 65 65 SER N N 68 113.440 116.972 -3.532 2
1 271 . 1 1 A 66 66 ARG H H 69 8.534 0.000 8.534 2
1 272 . 1 1 A 66 66 ARG C C 69 177.980 178.743 -0.763 2
1 273 . 1 1 A 66 66 ARG CA C 69 60.440 59.597 0.843 2
1 274 . 1 1 A 66 66 ARG CB C 69 31.754 30.349 1.405 2
1 275 . 1 1 A 66 66 ARG N N 69 118.834 121.891 -3.057 2
1 276 . 1 1 A 67 67 ALA H H 70 7.850 0.000 7.850 2
1 277 . 1 1 A 67 67 ALA C C 70 177.976 179.994 -2.018 2
1 278 . 1 1 A 67 67 ALA CA C 70 55.975 54.852 1.123 2
1 279 . 1 1 A 67 67 ALA CB C 70 18.305 17.386 0.919 2
1 280 . 1 1 A 67 67 ALA N N 70 119.861 122.283 -2.422 2
1 281 . 1 1 A 68 68 SER H H 71 8.039 0.000 8.039 2
1 282 . 1 1 A 68 68 SER C C 71 176.540 177.751 -1.211 2
1 283 . 1 1 A 68 68 SER CA C 71 61.202 61.600 -0.398 2
1 284 . 1 1 A 68 68 SER CB C 71 63.700 63.322 0.378 2
1 285 . 1 1 A 68 68 SER N N 71 110.161 113.488 -3.327 2
1 286 . 1 1 A 69 69 HIS H H 72 8.823 0.000 8.823 2
1 287 . 1 1 A 69 69 HIS C C 72 177.959 177.633 0.326 2
1 288 . 1 1 A 69 69 HIS CA C 72 61.528 59.089 2.439 2
1 289 . 1 1 A 69 69 HIS CB C 72 31.438 29.195 2.243 2
1 290 . 1 1 A 69 69 HIS N N 72 118.483 119.282 -0.799 2
1 291 . 1 1 A 70 70 ALA H H 73 8.555 0.000 8.555 2
1 292 . 1 1 A 70 70 ALA C C 73 178.869 179.877 -1.008 2
1 293 . 1 1 A 70 70 ALA CA C 73 55.945 55.118 0.827 2
1 294 . 1 1 A 70 70 ALA CB C 73 19.558 18.414 1.144 2
1 295 . 1 1 A 70 70 ALA N N 73 124.107 122.330 1.777 2
1 296 . 1 1 A 71 71 VAL H H 74 8.153 0.000 8.153 2
1 297 . 1 1 A 71 71 VAL C C 74 177.037 177.862 -0.825 2
1 298 . 1 1 A 71 71 VAL CA C 74 67.307 67.564 -0.257 2
1 299 . 1 1 A 71 71 VAL CB C 74 31.484 31.133 0.351 2
1 300 . 1 1 A 71 71 VAL N N 74 119.801 118.512 1.289 2
1 301 . 1 1 A 72 72 LEU H H 75 8.217 0.000 8.217 2
1 302 . 1 1 A 72 72 LEU C C 75 177.661 178.364 -0.703 2
1 303 . 1 1 A 72 72 LEU CA C 75 58.408 58.011 0.397 2
1 304 . 1 1 A 72 72 LEU CB C 75 41.330 40.839 0.491 2
1 305 . 1 1 A 72 72 LEU N N 75 118.574 119.766 -1.192 2
1 306 . 1 1 A 73 73 MET H H 76 7.839 0.000 7.839 2
1 307 . 1 1 A 73 73 MET C C 76 178.118 176.792 1.326 2
1 308 . 1 1 A 73 73 MET CA C 76 58.452 57.639 0.813 2
1 309 . 1 1 A 73 73 MET CB C 76 33.194 32.143 1.051 2
1 310 . 1 1 A 73 73 MET N N 76 113.047 116.288 -3.241 2
1 311 . 1 1 A 74 74 TYR H H 77 7.712 0.000 7.712 2
1 312 . 1 1 A 74 74 TYR C C 77 175.501 176.384 -0.883 2
1 313 . 1 1 A 74 74 TYR CA C 77 58.578 58.787 -0.209 2
1 314 . 1 1 A 74 74 TYR CB C 77 39.044 40.534 -1.490 2
1 315 . 1 1 A 74 74 TYR N N 77 114.950 118.679 -3.729 2
1 316 . 1 1 A 75 75 ALA H H 78 9.180 0.000 9.180 2
1 317 . 1 1 A 75 75 ALA C C 78 173.705 175.341 -1.636 2
1 318 . 1 1 A 75 75 ALA CA C 78 50.833 49.977 0.856 2
1 319 . 1 1 A 75 75 ALA CB C 78 20.157 19.178 0.979 2
1 320 . 1 1 A 75 75 ALA N N 78 124.657 121.873 2.784 2
1 321 . 1 1 A 76 76 PRO C C 79 180.413 178.439 1.974 2
1 322 . 1 1 A 76 76 PRO CA C 79 65.998 65.311 0.687 2
1 323 . 1 1 A 76 76 PRO CB C 79 31.089 31.965 -0.876 2
1 324 . 1 1 A 77 77 LYS H H 80 8.689 0.000 8.689 2
1 325 . 1 1 A 77 77 LYS C C 80 178.465 177.462 1.003 2
1 326 . 1 1 A 77 77 LYS CA C 80 58.911 58.566 0.345 2
1 327 . 1 1 A 77 77 LYS CB C 80 31.722 32.068 -0.346 2
1 328 . 1 1 A 77 77 LYS N N 80 117.146 117.727 -0.581 2
1 329 . 1 1 A 78 78 SER H H 81 8.453 0.000 8.453 2
1 330 . 1 1 A 78 78 SER C C 81 174.209 175.006 -0.797 2
1 331 . 1 1 A 78 78 SER CA C 81 59.876 58.715 1.161 2
1 332 . 1 1 A 78 78 SER CB C 81 64.735 64.292 0.443 2
1 333 . 1 1 A 78 78 SER N N 81 115.434 113.691 1.743 2
1 334 . 1 1 A 79 79 PHE H H 82 7.593 0.000 7.593 2
1 335 . 1 1 A 79 79 PHE C C 82 175.900 177.127 -1.227 2
1 336 . 1 1 A 79 79 PHE CA C 82 62.313 61.765 0.548 2
1 337 . 1 1 A 79 79 PHE CB C 82 40.550 39.400 1.150 2
1 338 . 1 1 A 79 79 PHE N N 82 121.193 123.045 -1.852 2
1 339 . 1 1 A 80 80 LEU H H 83 8.588 0.000 8.588 2
1 340 . 1 1 A 80 80 LEU C C 83 180.171 179.060 1.111 2
1 341 . 1 1 A 80 80 LEU CA C 83 58.473 57.582 0.891 2
1 342 . 1 1 A 80 80 LEU CB C 83 40.155 40.761 -0.606 2
1 343 . 1 1 A 80 80 LEU N N 83 118.636 119.584 -0.948 2
1 344 . 1 1 A 81 81 ASP H H 84 8.022 0.000 8.022 2
1 345 . 1 1 A 81 81 ASP C C 84 177.896 178.612 -0.716 2
1 346 . 1 1 A 81 81 ASP CA C 84 57.537 57.351 0.186 2
1 347 . 1 1 A 81 81 ASP CB C 84 39.991 40.423 -0.432 2
1 348 . 1 1 A 81 81 ASP N N 84 120.563 120.534 0.029 2
1 349 . 1 1 A 82 82 PHE H H 85 8.168 0.000 8.168 2
1 350 . 1 1 A 82 82 PHE C C 85 177.000 177.141 -0.141 2
1 351 . 1 1 A 82 82 PHE CA C 85 61.527 61.360 0.167 2
1 352 . 1 1 A 82 82 PHE CB C 85 39.240 39.151 0.089 2
1 353 . 1 1 A 82 82 PHE N N 85 121.582 121.765 -0.183 2
1 354 . 1 1 A 83 83 GLN H H 86 8.363 0.000 8.363 2
1 355 . 1 1 A 83 83 GLN C C 86 176.900 178.452 -1.552 2
1 356 . 1 1 A 83 83 GLN CA C 86 60.478 58.627 1.851 2
1 357 . 1 1 A 83 83 GLN CB C 86 29.870 28.174 1.696 2
1 358 . 1 1 A 83 83 GLN N N 86 117.574 117.660 -0.086 2
1 359 . 1 1 A 84 84 LYS H H 87 7.680 0.000 7.680 2
1 360 . 1 1 A 84 84 LYS C C 87 179.964 178.787 1.177 2
1 361 . 1 1 A 84 84 LYS CA C 87 58.975 59.756 -0.781 2
1 362 . 1 1 A 84 84 LYS CB C 87 32.341 32.326 0.015 2
1 363 . 1 1 A 84 84 LYS N N 87 117.806 120.048 -2.242 2
1 364 . 1 1 A 85 85 GLN H H 88 7.735 0.000 7.735 2
1 365 . 1 1 A 85 85 GLN C C 88 178.069 178.644 -0.575 2
1 366 . 1 1 A 85 85 GLN CA C 88 58.106 58.603 -0.497 2
1 367 . 1 1 A 85 85 GLN CB C 88 28.628 28.025 0.603 2
1 368 . 1 1 A 85 85 GLN N N 88 116.790 118.915 -2.125 2
1 369 . 1 1 A 86 86 LEU H H 89 7.685 0.000 7.685 2
1 370 . 1 1 A 86 86 LEU C C 89 179.197 178.571 0.626 2
1 371 . 1 1 A 86 86 LEU CA C 89 57.610 57.379 0.231 2
1 372 . 1 1 A 86 86 LEU CB C 89 40.739 40.981 -0.242 2
1 373 . 1 1 A 86 86 LEU N N 89 121.948 121.598 0.350 2
1 374 . 1 1 A 87 87 PHE H H 90 8.073 0.000 8.073 2
1 375 . 1 1 A 87 87 PHE C C 90 179.144 178.503 0.641 2
1 376 . 1 1 A 87 87 PHE CA C 90 63.247 60.706 2.541 2
1 377 . 1 1 A 87 87 PHE CB C 90 38.773 37.876 0.897 2
1 378 . 1 1 A 87 87 PHE N N 90 115.387 117.865 -2.478 2
1 379 . 1 1 A 88 88 ALA H H 91 7.725 0.000 7.725 2
1 380 . 1 1 A 88 88 ALA C C 91 178.659 178.721 -0.062 2
1 381 . 1 1 A 88 88 ALA CA C 91 54.365 54.512 -0.147 2
1 382 . 1 1 A 88 88 ALA CB C 91 18.190 18.184 0.006 2
1 383 . 1 1 A 88 88 ALA N N 91 118.278 121.894 -3.616 2
1 384 . 1 1 A 89 89 ALA H H 92 7.286 0.000 7.286 2
1 385 . 1 1 A 89 89 ALA C C 92 175.575 176.961 -1.386 2
1 386 . 1 1 A 89 89 ALA CA C 92 51.206 51.569 -0.363 2
1 387 . 1 1 A 89 89 ALA CB C 92 19.728 19.379 0.349 2
1 388 . 1 1 A 89 89 ALA N N 92 120.488 118.890 1.598 2
1 389 . 1 1 A 90 90 GLN H H 93 6.814 0.000 6.814 2
1 390 . 1 1 A 90 90 GLN C C 93 175.744 175.000 0.744 2
1 391 . 1 1 A 90 90 GLN CA C 93 57.800 55.992 1.808 2
1 392 . 1 1 A 90 90 GLN CB C 93 31.987 29.308 2.679 2
1 393 . 1 1 A 90 90 GLN N N 93 117.975 119.936 -1.961 2
1 394 . 1 1 A 91 91 GLN H H 94 3.512 0.000 3.512 2
1 395 . 1 1 A 91 91 GLN C C 94 173.654 174.618 -0.964 2
1 396 . 1 1 A 91 91 GLN CA C 94 53.132 53.648 -0.516 2
1 397 . 1 1 A 91 91 GLN CB C 94 30.441 31.399 -0.958 2
1 398 . 1 1 A 91 91 GLN N N 94 123.518 123.610 -0.092 2
1 399 . 1 1 A 92 92 ASP H H 95 7.736 0.000 7.736 2
1 400 . 1 1 A 92 92 ASP C C 95 176.427 177.542 -1.115 2
1 401 . 1 1 A 92 92 ASP CA C 95 55.695 54.826 0.869 2
1 402 . 1 1 A 92 92 ASP CB C 95 42.735 42.039 0.696 2
1 403 . 1 1 A 92 92 ASP N N 95 119.944 121.860 -1.916 2
1 404 . 1 1 A 93 93 GLU H H 96 9.061 0.000 9.061 2
1 405 . 1 1 A 93 93 GLU C C 96 176.653 177.400 -0.747 2
1 406 . 1 1 A 93 93 GLU CA C 96 59.006 58.574 0.432 2
1 407 . 1 1 A 93 93 GLU CB C 96 29.803 29.197 0.606 2
1 408 . 1 1 A 93 93 GLU N N 96 122.036 125.375 -3.339 2
1 409 . 1 1 A 94 94 ASN H H 97 8.442 0.000 8.442 2
1 410 . 1 1 A 94 94 ASN C C 97 175.484 175.978 -0.494 2
1 411 . 1 1 A 94 94 ASN CA C 97 53.953 54.231 -0.278 2
1 412 . 1 1 A 94 94 ASN CB C 97 38.707 39.118 -0.411 2
1 413 . 1 1 A 94 94 ASN N N 97 115.496 117.290 -1.794 2
1 414 . 1 1 A 95 95 LYS H H 98 8.215 0.000 8.215 2
1 415 . 1 1 A 95 95 LYS C C 98 176.930 176.563 0.367 2
1 416 . 1 1 A 95 95 LYS CA C 98 55.249 54.992 0.257 2
1 417 . 1 1 A 95 95 LYS CB C 98 34.461 34.150 0.311 2
1 418 . 1 1 A 95 95 LYS N N 98 120.914 118.646 2.268 2
1 419 . 1 1 A 96 96 GLU H H 99 8.684 0.000 8.684 2
1 420 . 1 1 A 96 96 GLU C C 99 175.655 177.280 -1.625 2
1 421 . 1 1 A 96 96 GLU CA C 99 55.474 55.185 0.289 2
1 422 . 1 1 A 96 96 GLU CB C 99 27.824 27.749 0.075 2
1 423 . 1 1 A 96 96 GLU N N 99 125.265 123.150 2.115 2
1 424 . 1 1 A 97 97 TRP H H 100 7.370 0.000 7.370 2
1 425 . 1 1 A 97 97 TRP C C 100 176.805 176.890 -0.085 2
1 426 . 1 1 A 97 97 TRP CA C 100 55.883 58.767 -2.884 2
1 427 . 1 1 A 97 97 TRP CB C 100 30.048 28.521 1.527 2
1 428 . 1 1 A 97 97 TRP N N 100 120.066 121.617 -1.551 2
1 429 . 1 1 A 98 98 LEU H H 101 8.912 0.000 8.912 2
1 430 . 1 1 A 98 98 LEU C C 101 174.802 175.330 -0.528 2
1 431 . 1 1 A 98 98 LEU CA C 101 54.244 53.636 0.608 2
1 432 . 1 1 A 98 98 LEU CB C 101 39.547 39.300 0.247 2
1 433 . 1 1 A 98 98 LEU N N 101 129.673 121.131 8.542 2
1 434 . 1 1 A 99 99 THR H H 102 7.335 0.000 7.335 2
1 435 . 1 1 A 99 99 THR C C 102 175.213 176.206 -0.993 2
1 436 . 1 1 A 99 99 THR CA C 102 58.836 60.431 -1.595 2
1 437 . 1 1 A 99 99 THR CB C 102 71.604 71.464 0.140 2
1 438 . 1 1 A 99 99 THR N N 102 110.905 113.995 -3.090 2
1 439 . 1 1 A 100 100 LYS H H 103 8.756 0.000 8.756 2
1 440 . 1 1 A 100 100 LYS C C 103 177.695 179.129 -1.434 2
1 441 . 1 1 A 100 100 LYS CA C 103 58.911 59.788 -0.877 2
1 442 . 1 1 A 100 100 LYS CB C 103 32.207 31.987 0.220 2
1 443 . 1 1 A 100 100 LYS N N 103 119.983 121.470 -1.487 2
1 444 . 1 1 A 101 101 GLU H H 104 8.196 0.000 8.196 2
1 445 . 1 1 A 101 101 GLU C C 104 179.392 178.858 0.534 2
1 446 . 1 1 A 101 101 GLU CA C 104 60.288 59.133 1.155 2
1 447 . 1 1 A 101 101 GLU CB C 104 29.182 29.524 -0.342 2
1 448 . 1 1 A 101 101 GLU N N 104 116.642 119.800 -3.158 2
1 449 . 1 1 A 102 102 LEU H H 105 7.747 0.000 7.747 2
1 450 . 1 1 A 102 102 LEU C C 105 179.038 178.314 0.724 2
1 451 . 1 1 A 102 102 LEU CA C 105 58.880 58.153 0.727 2
1 452 . 1 1 A 102 102 LEU CB C 105 42.351 41.564 0.787 2
1 453 . 1 1 A 102 102 LEU N N 105 122.599 121.170 1.429 2
1 454 . 1 1 A 103 103 LEU H H 106 8.737 0.000 8.737 2
1 455 . 1 1 A 103 103 LEU C C 106 178.907 179.203 -0.296 2
1 456 . 1 1 A 103 103 LEU CA C 106 58.686 58.273 0.413 2
1 457 . 1 1 A 103 103 LEU CB C 106 40.745 41.180 -0.435 2
1 458 . 1 1 A 103 103 LEU N N 106 121.354 117.980 3.374 2
1 459 . 1 1 A 104 104 ASP H H 107 8.972 0.000 8.972 2
1 460 . 1 1 A 104 104 ASP C C 107 178.781 178.918 -0.137 2
1 461 . 1 1 A 104 104 ASP CA C 107 58.038 57.548 0.490 2
1 462 . 1 1 A 104 104 ASP CB C 107 39.373 40.135 -0.762 2
1 463 . 1 1 A 104 104 ASP N N 107 120.013 120.009 0.004 2
1 464 . 1 1 A 105 105 LYS H H 108 7.381 0.000 7.381 2
1 465 . 1 1 A 105 105 LYS C C 108 179.423 179.124 0.299 2
1 466 . 1 1 A 105 105 LYS CA C 108 60.172 59.093 1.079 2
1 467 . 1 1 A 105 105 LYS CB C 108 32.069 32.180 -0.111 2
1 468 . 1 1 A 105 105 LYS N N 108 119.682 120.622 -0.940 2
1 469 . 1 1 A 106 106 HIS H H 109 8.447 0.000 8.447 2
1 470 . 1 1 A 106 106 HIS C C 109 178.687 178.005 0.682 2
1 471 . 1 1 A 106 106 HIS CA C 109 61.226 60.206 1.020 2
1 472 . 1 1 A 106 106 HIS CB C 109 29.491 30.424 -0.933 2
1 473 . 1 1 A 106 106 HIS N N 109 119.825 117.954 1.871 2
1 474 . 1 1 A 107 107 ILE H H 110 9.008 0.000 9.008 2
1 475 . 1 1 A 107 107 ILE C C 110 179.572 178.129 1.443 2
1 476 . 1 1 A 107 107 ILE CA C 110 65.695 65.436 0.259 2
1 477 . 1 1 A 107 107 ILE CB C 110 38.365 37.918 0.447 2
1 478 . 1 1 A 107 107 ILE N N 110 122.552 120.398 2.154 2
1 479 . 1 1 A 108 108 LYS H H 111 8.385 0.000 8.385 2
1 480 . 1 1 A 108 108 LYS C C 111 179.382 178.998 0.384 2
1 481 . 1 1 A 108 108 LYS CA C 111 59.851 59.395 0.456 2
1 482 . 1 1 A 108 108 LYS CB C 111 32.227 31.872 0.355 2
1 483 . 1 1 A 108 108 LYS N N 111 121.337 120.162 1.175 2
1 484 . 1 1 A 109 109 GLN H H 112 7.740 0.000 7.740 2
1 485 . 1 1 A 109 109 GLN C C 112 175.851 176.949 -1.098 2
1 486 . 1 1 A 109 109 GLN CA C 112 56.986 57.657 -0.671 2
1 487 . 1 1 A 109 109 GLN CB C 112 28.339 28.402 -0.063 2
1 488 . 1 1 A 109 109 GLN N N 112 118.053 118.104 -0.051 2
1 489 . 1 1 A 110 110 LEU H H 113 7.389 0.000 7.389 2
1 490 . 1 1 A 110 110 LEU C C 113 176.715 176.255 0.460 2
1 491 . 1 1 A 110 110 LEU CA C 113 55.806 55.413 0.393 2
1 492 . 1 1 A 110 110 LEU CB C 113 41.787 42.261 -0.474 2
1 493 . 1 1 A 110 110 LEU N N 113 116.911 117.716 -0.805 2
1 494 . 1 1 A 111 111 HIS H H 114 7.796 0.000 7.796 2
1 495 . 1 1 A 111 111 HIS C C 114 174.630 174.545 0.085 2
1 496 . 1 1 A 111 111 HIS CA C 114 56.589 56.602 -0.013 2
1 497 . 1 1 A 111 111 HIS CB C 114 26.410 26.678 -0.268 2
1 498 . 1 1 A 111 111 HIS N N 114 113.639 115.426 -1.787 2
1 499 . 1 1 A 112 112 LEU H H 115 9.240 0.000 9.240 2
1 500 . 1 1 A 112 112 LEU C C 115 177.429 176.369 1.060 2
1 501 . 1 1 A 112 112 LEU CA C 115 53.803 54.321 -0.518 2
1 502 . 1 1 A 112 112 LEU CB C 115 43.239 42.384 0.855 2
1 503 . 1 1 A 112 112 LEU N N 115 119.620 119.686 -0.066 2
1 504 . 1 1 A 113 113 ASP H H 116 8.064 0.000 8.064 2
1 505 . 1 1 A 113 113 ASP C C 116 176.392 176.426 -0.034 2
1 506 . 1 1 A 113 113 ASP CA C 116 54.352 53.750 0.602 2
1 507 . 1 1 A 113 113 ASP CB C 116 41.539 41.808 -0.269 2
1 508 . 1 1 A 113 113 ASP N N 116 117.976 120.583 -2.607 2
1 509 . 1 1 A 114 114 LYS H H 117 8.511 0.000 8.511 2
1 510 . 1 1 A 114 114 LYS C C 117 178.360 178.293 0.067 2
1 511 . 1 1 A 114 114 LYS CA C 117 59.143 60.542 -1.399 2
1 512 . 1 1 A 114 114 LYS CB C 117 32.199 32.270 -0.071 2
1 513 . 1 1 A 114 114 LYS N N 117 122.048 122.049 -0.001 2
1 514 . 1 1 A 115 115 GLU H H 118 8.345 0.000 8.345 2
1 515 . 1 1 A 115 115 GLU C C 118 179.450 178.993 0.457 2
1 516 . 1 1 A 115 115 GLU CA C 118 59.738 59.477 0.261 2
1 517 . 1 1 A 115 115 GLU CB C 118 29.245 29.463 -0.218 2
1 518 . 1 1 A 115 115 GLU N N 118 117.855 118.185 -0.330 2
1 519 . 1 1 A 116 116 THR H H 119 8.019 0.000 8.019 2
1 520 . 1 1 A 116 116 THR C C 119 175.572 175.915 -0.343 2
1 521 . 1 1 A 116 116 THR CA C 119 67.317 67.628 -0.311 2
1 522 . 1 1 A 116 116 THR N N 119 119.570 118.523 1.047 2
1 523 . 1 1 A 117 117 GLU H H 120 8.485 0.000 8.485 2
1 524 . 1 1 A 117 117 GLU C C 120 177.156 179.220 -2.064 2
1 525 . 1 1 A 117 117 GLU CA C 120 60.918 59.541 1.377 2
1 526 . 1 1 A 117 117 GLU CB C 120 31.549 29.213 2.336 2
1 527 . 1 1 A 117 117 GLU N N 120 121.722 121.635 0.087 2
1 528 . 1 1 A 118 118 ASN H H 121 8.208 0.000 8.208 2
1 529 . 1 1 A 118 118 ASN C C 121 177.792 177.518 0.274 2
1 530 . 1 1 A 118 118 ASN CA C 121 56.049 55.933 0.116 2
1 531 . 1 1 A 118 118 ASN CB C 121 38.488 37.845 0.643 2
1 532 . 1 1 A 118 118 ASN N N 121 114.379 118.930 -4.551 2
1 533 . 1 1 A 119 119 LYS H H 122 7.792 0.000 7.792 2
1 534 . 1 1 A 119 119 LYS C C 122 178.729 178.786 -0.057 2
1 535 . 1 1 A 119 119 LYS CA C 122 59.980 58.938 1.042 2
1 536 . 1 1 A 119 119 LYS CB C 122 32.241 32.138 0.103 2
1 537 . 1 1 A 119 119 LYS N N 122 120.530 120.933 -0.403 2
1 538 . 1 1 A 120 120 ILE H H 123 7.866 0.000 7.866 2
1 539 . 1 1 A 120 120 ILE C C 123 176.831 178.360 -1.529 2
1 540 . 1 1 A 120 120 ILE CA C 123 66.196 65.543 0.653 2
1 541 . 1 1 A 120 120 ILE CB C 123 38.738 37.746 0.992 2
1 542 . 1 1 A 120 120 ILE N N 123 119.954 119.833 0.121 2
1 543 . 1 1 A 121 121 ILE H H 124 7.836 0.000 7.836 2
1 544 . 1 1 A 121 121 ILE C C 124 176.219 178.238 -2.019 2
1 545 . 1 1 A 121 121 ILE CA C 124 65.587 65.859 -0.272 2
1 546 . 1 1 A 121 121 ILE CB C 124 38.322 37.773 0.549 2
1 547 . 1 1 A 121 121 ILE N N 124 117.773 121.229 -3.456 2
1 548 . 1 1 A 122 122 LYS H H 125 7.750 0.000 7.750 2
1 549 . 1 1 A 122 122 LYS C C 125 180.461 178.082 2.379 2
1 550 . 1 1 A 122 122 LYS CA C 125 58.759 58.935 -0.176 2
1 551 . 1 1 A 122 122 LYS CB C 125 32.737 31.973 0.764 2
1 552 . 1 1 A 122 122 LYS N N 125 114.288 120.613 -6.325 2
1 553 . 1 1 A 123 123 ASP H H 126 8.343 0.000 8.343 2
1 554 . 1 1 A 123 123 ASP C C 126 180.613 178.146 2.467 2
1 555 . 1 1 A 123 123 ASP CA C 126 59.121 57.413 1.708 2
1 556 . 1 1 A 123 123 ASP CB C 126 44.445 41.683 2.762 2
1 557 . 1 1 A 123 123 ASP N N 126 121.168 119.612 1.556 2
1 558 . 1 1 A 124 124 TYR H H 127 7.956 0.000 7.956 2
1 559 . 1 1 A 124 124 TYR C C 127 175.314 176.606 -1.292 2
1 560 . 1 1 A 124 124 TYR CA C 127 59.778 59.833 -0.055 2
1 561 . 1 1 A 124 124 TYR CB C 127 36.966 36.961 0.005 2
1 562 . 1 1 A 124 124 TYR N N 127 115.235 118.794 -3.559 2
1 563 . 1 1 A 125 125 LYS C C 128 176.847 175.940 0.907 2
1 564 . 1 1 A 125 125 LYS CA C 128 56.647 55.890 0.757 2
1 565 . 1 1 A 125 125 LYS CB C 128 34.474 32.905 1.569 2
1 566 . 1 1 A 126 126 THR H H 129 7.487 0.000 7.487 2
1 567 . 1 1 A 126 126 THR C C 129 171.428 174.419 -2.991 2
1 568 . 1 1 A 126 126 THR CA C 129 63.127 62.077 1.050 2
1 569 . 1 1 A 126 126 THR CB C 129 70.039 69.731 0.308 2
1 570 . 1 1 A 126 126 THR N N 129 118.942 115.262 3.680 2
1 571 . 1 1 A 129 129 SER C C 132 174.575 175.579 -1.004 2
1 572 . 1 1 A 129 129 SER CA C 132 57.556 57.349 0.207 2
1 573 . 1 1 A 129 129 SER CB C 132 65.118 65.340 -0.222 2
1 574 . 1 1 A 130 130 LYS H H 133 9.529 0.000 9.529 2
1 575 . 1 1 A 130 130 LYS C C 133 180.633 178.611 2.022 2
1 576 . 1 1 A 130 130 LYS CA C 133 60.856 60.032 0.824 2
1 577 . 1 1 A 130 130 LYS CB C 133 32.638 32.003 0.635 2
1 578 . 1 1 A 130 130 LYS N N 133 119.238 121.529 -2.291 2
1 579 . 1 1 A 131 131 SER H H 134 8.797 0.000 8.797 2
1 580 . 1 1 A 131 131 SER C C 134 176.560 176.817 -0.257 2
1 581 . 1 1 A 131 131 SER CA C 134 63.230 61.200 2.030 2
1 582 . 1 1 A 131 131 SER N N 134 116.935 113.809 3.126 2
1 583 . 1 1 A 132 132 TRP H H 135 8.208 0.000 8.208 2
1 584 . 1 1 A 132 132 TRP C C 135 180.446 178.539 1.907 2
1 585 . 1 1 A 132 132 TRP CA C 135 61.744 61.028 0.716 2
1 586 . 1 1 A 132 132 TRP CB C 135 28.222 29.686 -1.464 2
1 587 . 1 1 A 132 132 TRP N N 135 126.960 125.057 1.903 2
1 588 . 1 1 A 133 133 LYS C C 136 179.687 178.948 0.739 2
1 589 . 1 1 A 133 133 LYS CA C 136 59.492 59.680 -0.188 2
1 590 . 1 1 A 133 133 LYS CB C 136 32.437 32.315 0.122 2
1 591 . 1 1 A 134 134 ALA H H 137 8.179 0.000 8.179 2
1 592 . 1 1 A 134 134 ALA C C 137 179.435 179.669 -0.234 2
1 593 . 1 1 A 134 134 ALA CA C 137 55.134 54.779 0.355 2
1 594 . 1 1 A 134 134 ALA CB C 137 17.620 17.389 0.231 2
1 595 . 1 1 A 134 134 ALA N N 137 124.222 122.520 1.702 2
1 596 . 1 1 A 135 135 ALA H H 138 7.700 0.000 7.700 2
1 597 . 1 1 A 135 135 ALA C C 138 181.058 180.340 0.718 2
1 598 . 1 1 A 135 135 ALA CA C 138 54.942 55.200 -0.258 2
1 599 . 1 1 A 135 135 ALA CB C 138 18.944 18.191 0.753 2
1 600 . 1 1 A 135 135 ALA N N 138 119.965 119.222 0.743 2
1 601 . 1 1 A 136 136 GLU H H 139 7.469 0.000 7.469 2
1 602 . 1 1 A 136 136 GLU C C 139 179.387 179.035 0.352 2
1 603 . 1 1 A 136 136 GLU CA C 139 59.116 59.487 -0.371 2
1 604 . 1 1 A 136 136 GLU CB C 139 29.580 29.784 -0.204 2
1 605 . 1 1 A 136 136 GLU N N 139 117.543 117.691 -0.148 2
1 606 . 1 1 A 137 137 LYS H H 140 8.152 0.000 8.152 2
1 607 . 1 1 A 137 137 LYS C C 140 178.315 178.256 0.059 2
1 608 . 1 1 A 137 137 LYS CA C 140 59.381 59.107 0.274 2
1 609 . 1 1 A 137 137 LYS CB C 140 31.651 32.060 -0.409 2
1 610 . 1 1 A 137 137 LYS N N 140 123.106 120.870 2.236 2
1 611 . 1 1 A 138 138 ASP H H 141 7.567 0.000 7.567 2
1 612 . 1 1 A 138 138 ASP C C 141 177.938 179.150 -1.212 2
1 613 . 1 1 A 138 138 ASP CA C 141 57.308 57.206 0.102 2
1 614 . 1 1 A 138 138 ASP CB C 141 41.974 40.505 1.469 2
1 615 . 1 1 A 138 138 ASP N N 141 120.572 119.795 0.777 2
1 616 . 1 1 A 139 139 LYS H H 142 6.775 0.000 6.775 2
1 617 . 1 1 A 139 139 LYS C C 142 179.543 179.224 0.319 2
1 618 . 1 1 A 139 139 LYS CA C 142 60.315 59.561 0.754 2
1 619 . 1 1 A 139 139 LYS CB C 142 32.028 32.121 -0.093 2
1 620 . 1 1 A 139 139 LYS N N 142 114.710 119.887 -5.177 2
1 621 . 1 1 A 140 140 LYS H H 143 7.383 0.000 7.383 2
1 622 . 1 1 A 140 140 LYS C C 143 177.598 178.781 -1.183 2
1 623 . 1 1 A 140 140 LYS CA C 143 59.257 58.918 0.339 2
1 624 . 1 1 A 140 140 LYS CB C 143 32.492 32.093 0.399 2
1 625 . 1 1 A 140 140 LYS N N 143 121.381 120.434 0.947 2
1 626 . 1 1 A 141 141 ILE H H 144 8.522 0.000 8.522 2
1 627 . 1 1 A 141 141 ILE C C 144 179.363 177.302 2.061 2
1 628 . 1 1 A 141 141 ILE CA C 144 65.199 66.119 -0.920 2
1 629 . 1 1 A 141 141 ILE CB C 144 37.886 38.186 -0.300 2
1 630 . 1 1 A 141 141 ILE N N 144 120.663 119.977 0.686 2
1 631 . 1 1 A 142 142 ALA H H 145 7.963 0.000 7.963 2
1 632 . 1 1 A 142 142 ALA C C 145 178.673 179.389 -0.716 2
1 633 . 1 1 A 142 142 ALA CA C 145 55.678 55.383 0.295 2
1 634 . 1 1 A 142 142 ALA CB C 145 18.680 18.110 0.570 2
1 635 . 1 1 A 142 142 ALA N N 145 120.190 121.768 -1.578 2
1 636 . 1 1 A 143 143 LYS H H 146 7.614 0.000 7.614 2
1 637 . 1 1 A 143 143 LYS C C 146 180.979 178.663 2.316 2
1 638 . 1 1 A 143 143 LYS CA C 146 59.429 59.472 -0.043 2
1 639 . 1 1 A 143 143 LYS CB C 146 32.324 32.198 0.126 2
1 640 . 1 1 A 143 143 LYS N N 146 118.820 117.814 1.006 2
1 641 . 1 1 A 144 144 ASP H H 147 8.951 0.000 8.951 2
1 642 . 1 1 A 144 144 ASP C C 147 177.110 177.779 -0.669 2
1 643 . 1 1 A 144 144 ASP CA C 147 56.855 56.711 0.144 2
1 644 . 1 1 A 144 144 ASP CB C 147 39.861 40.358 -0.497 2
1 645 . 1 1 A 144 144 ASP N N 147 122.110 120.182 1.928 2
1 646 . 1 1 A 145 145 ASN H H 148 7.358 0.000 7.358 2
1 647 . 1 1 A 145 145 ASN C C 148 173.001 173.917 -0.916 2
1 648 . 1 1 A 145 145 ASN CA C 148 53.173 52.689 0.484 2
1 649 . 1 1 A 145 145 ASN CB C 148 39.153 38.479 0.674 2
1 650 . 1 1 A 145 145 ASN N N 148 114.564 114.565 -0.001 2
1 651 . 1 1 A 146 146 HIS H H 149 7.662 0.000 7.662 2
1 652 . 1 1 A 146 146 HIS C C 149 174.041 174.147 -0.106 2
1 653 . 1 1 A 146 146 HIS CA C 149 56.623 56.479 0.144 2
1 654 . 1 1 A 146 146 HIS CB C 149 26.847 26.532 0.315 2
1 655 . 1 1 A 146 146 HIS N N 149 114.801 114.803 -0.002 2
1 656 . 1 1 A 147 147 ILE H H 150 7.912 0.000 7.912 2
1 657 . 1 1 A 147 147 ILE C C 150 175.721 175.295 0.426 2
1 658 . 1 1 A 147 147 ILE CA C 150 59.211 60.829 -1.618 2
1 659 . 1 1 A 147 147 ILE CB C 150 35.203 36.866 -1.663 2
1 660 . 1 1 A 147 147 ILE N N 150 119.059 119.547 -0.488 2
1 661 . 1 1 A 148 148 LYS H H 151 8.403 0.000 8.403 2
1 662 . 1 1 A 148 148 LYS CA C 151 55.806 57.848 -2.042 2
1 663 . 1 1 A 148 148 LYS CB C 151 34.980 33.038 1.942 2
1 664 . 1 1 A 148 148 LYS N N 151 124.799 127.844 -3.045 2
1 665 . 1 1 A 149 149 THR H H 152 7.336 0.000 7.336 2
1 666 . 1 1 A 149 149 THR C C 152 172.439 174.289 -1.850 2
1 667 . 1 1 A 149 149 THR CA C 152 60.509 59.990 0.519 2
1 668 . 1 1 A 149 149 THR CB C 152 71.160 71.048 0.112 2
1 669 . 1 1 A 149 149 THR N N 152 111.901 110.356 1.545 2
1 670 . 1 1 A 150 150 THR H H 153 8.168 0.000 8.168 2
1 671 . 1 1 A 150 150 THR C C 153 172.040 172.417 -0.377 2
1 672 . 1 1 A 150 150 THR CA C 153 57.354 58.327 -0.973 2
1 673 . 1 1 A 150 150 THR CB C 153 70.559 71.186 -0.627 2
1 674 . 1 1 A 150 150 THR N N 153 111.942 112.637 -0.695 2
1 675 . 1 1 A 151 151 PRO C C 154 177.602 175.955 1.647 2
1 676 . 1 1 A 151 151 PRO CA C 154 62.605 62.360 0.245 2
1 677 . 1 1 A 151 151 PRO CB C 154 35.236 32.543 2.693 2
1 678 . 1 1 A 152 152 THR H H 155 8.175 0.000 8.175 2
1 679 . 1 1 A 152 152 THR C C 155 171.619 172.996 -1.377 2
1 680 . 1 1 A 152 152 THR CA C 155 63.375 61.048 2.327 2
1 681 . 1 1 A 152 152 THR CB C 155 71.737 72.188 -0.451 2
1 682 . 1 1 A 152 152 THR N N 155 114.555 116.651 -2.096 2
1 683 . 1 1 A 153 153 ALA H H 156 9.233 0.000 9.233 2
1 684 . 1 1 A 153 153 ALA C C 156 174.863 175.086 -0.223 2
1 685 . 1 1 A 153 153 ALA CA C 156 50.379 50.297 0.082 2
1 686 . 1 1 A 153 153 ALA CB C 156 23.107 23.265 -0.158 2
1 687 . 1 1 A 153 153 ALA N N 156 109.118 125.693 -16.575 2
1 688 . 1 1 A 154 154 PHE H H 157 9.436 0.000 9.436 2
1 689 . 1 1 A 154 154 PHE C C 157 175.416 175.200 0.216 2
1 690 . 1 1 A 154 154 PHE CA C 157 56.246 55.951 0.295 2
1 691 . 1 1 A 154 154 PHE CB C 157 45.232 43.745 1.487 2
1 692 . 1 1 A 154 154 PHE N N 157 118.423 117.571 0.852 2
1 693 . 1 1 A 155 155 ILE H H 158 9.037 0.000 9.037 2
1 694 . 1 1 A 155 155 ILE C C 158 176.289 176.216 0.073 2
1 695 . 1 1 A 155 155 ILE CA C 158 60.525 60.327 0.198 2
1 696 . 1 1 A 155 155 ILE CB C 158 39.213 40.037 -0.824 2
1 697 . 1 1 A 155 155 ILE N N 158 118.518 121.662 -3.144 2
1 698 . 1 1 A 156 156 ASN H H 159 9.473 0.000 9.473 2
1 699 . 1 1 A 156 156 ASN C C 159 175.462 175.526 -0.064 2
1 700 . 1 1 A 156 156 ASN CA C 159 54.228 54.728 -0.500 2
1 701 . 1 1 A 156 156 ASN CB C 159 37.134 37.293 -0.159 2
1 702 . 1 1 A 156 156 ASN N N 159 128.652 128.680 -0.028 2
1 703 . 1 1 A 157 157 GLY H H 160 8.794 0.000 8.794 2
1 704 . 1 1 A 157 157 GLY C C 160 173.374 173.976 -0.602 2
1 705 . 1 1 A 157 157 GLY CA C 160 45.749 45.421 0.328 2
1 706 . 1 1 A 157 157 GLY N N 160 125.626 103.974 21.652 2
1 707 . 1 1 A 158 158 GLU H H 161 8.228 0.000 8.228 2
1 708 . 1 1 A 158 158 GLU C C 161 175.028 175.942 -0.914 2
1 709 . 1 1 A 158 158 GLU CA C 161 55.133 55.703 -0.570 2
1 710 . 1 1 A 158 158 GLU CB C 161 31.095 30.765 0.330 2
1 711 . 1 1 A 158 158 GLU N N 161 122.902 120.597 2.305 2
1 712 . 1 1 A 159 159 LYS H H 162 8.535 0.000 8.535 2
1 713 . 1 1 A 159 159 LYS C C 162 176.123 176.324 -0.201 2
1 714 . 1 1 A 159 159 LYS CA C 162 57.050 56.488 0.562 2
1 715 . 1 1 A 159 159 LYS CB C 162 32.980 32.982 -0.002 2
1 716 . 1 1 A 159 159 LYS N N 162 127.013 124.936 2.077 2
1 717 . 1 1 A 160 160 VAL H H 163 8.212 0.000 8.212 2
1 718 . 1 1 A 160 160 VAL C C 163 176.412 175.356 1.056 2
1 719 . 1 1 A 160 160 VAL CA C 163 62.347 63.169 -0.822 2
1 720 . 1 1 A 160 160 VAL CB C 163 31.155 30.665 0.490 2
1 721 . 1 1 A 160 160 VAL N N 163 128.579 126.769 1.810 2
1 722 . 1 1 A 161 161 GLU H H 164 8.432 0.000 8.432 2
1 723 . 1 1 A 161 161 GLU C C 164 176.449 176.541 -0.092 2
1 724 . 1 1 A 161 161 GLU CA C 164 59.705 59.566 0.139 2
1 725 . 1 1 A 161 161 GLU CB C 164 29.885 29.693 0.192 2
1 726 . 1 1 A 161 161 GLU N N 164 128.370 127.168 1.202 2
1 727 . 1 1 A 162 162 ASP H H 165 7.259 0.000 7.259 2
1 728 . 1 1 A 162 162 ASP C C 165 174.531 174.778 -0.247 2
1 729 . 1 1 A 162 162 ASP CA C 165 49.975 50.841 -0.866 2
1 730 . 1 1 A 162 162 ASP CB C 165 41.459 41.758 -0.299 2
1 731 . 1 1 A 162 162 ASP N N 165 115.070 118.267 -3.197 2
1 732 . 1 1 A 163 163 PRO C C 166 175.846 176.974 -1.128 2
1 733 . 1 1 A 163 163 PRO CA C 166 63.177 64.148 -0.971 2
1 734 . 1 1 A 163 163 PRO CB C 166 31.575 31.616 -0.041 2
1 735 . 1 1 A 164 164 TYR H H 167 7.597 0.000 7.597 2
1 736 . 1 1 A 164 164 TYR C C 167 173.988 175.491 -1.503 2
1 737 . 1 1 A 164 164 TYR CA C 167 57.204 58.512 -1.308 2
1 738 . 1 1 A 164 164 TYR CB C 167 38.004 39.018 -1.014 2
1 739 . 1 1 A 164 164 TYR N N 167 116.702 118.257 -1.555 2
1 740 . 1 1 A 165 165 ASP H H 168 7.437 0.000 7.437 2
1 741 . 1 1 A 165 165 ASP C C 168 176.700 176.038 0.662 2
1 742 . 1 1 A 165 165 ASP CA C 168 51.867 52.700 -0.833 2
1 743 . 1 1 A 165 165 ASP CB C 168 43.086 41.820 1.266 2
1 744 . 1 1 A 165 165 ASP N N 168 119.750 121.872 -2.122 2
1 745 . 1 1 A 166 166 TYR H H 169 9.264 0.000 9.264 2
1 746 . 1 1 A 166 166 TYR C C 169 177.007 177.325 -0.318 2
1 747 . 1 1 A 166 166 TYR CA C 169 62.473 62.476 -0.003 2
1 748 . 1 1 A 166 166 TYR CB C 169 39.226 39.294 -0.068 2
1 749 . 1 1 A 166 166 TYR N N 169 127.782 127.600 0.182 2
1 750 . 1 1 A 167 167 GLU H H 170 8.568 0.000 8.568 2
1 751 . 1 1 A 167 167 GLU C C 170 178.573 178.779 -0.206 2
1 752 . 1 1 A 167 167 GLU CA C 170 59.670 59.510 0.160 2
1 753 . 1 1 A 167 167 GLU CB C 170 29.031 29.287 -0.256 2
1 754 . 1 1 A 167 167 GLU N N 170 117.246 118.535 -1.289 2
1 755 . 1 1 A 168 168 SER H H 171 7.850 0.000 7.850 2
1 756 . 1 1 A 168 168 SER C C 171 176.338 176.776 -0.438 2
1 757 . 1 1 A 168 168 SER CA C 171 62.123 61.112 1.011 2
1 758 . 1 1 A 168 168 SER CB C 171 63.977 62.853 1.124 2
1 759 . 1 1 A 168 168 SER N N 171 115.496 115.938 -0.442 2
1 760 . 1 1 A 169 169 TYR H H 172 7.512 0.000 7.512 2
1 761 . 1 1 A 169 169 TYR C C 172 177.712 178.147 -0.435 2
1 762 . 1 1 A 169 169 TYR CA C 172 60.448 60.994 -0.546 2
1 763 . 1 1 A 169 169 TYR CB C 172 37.045 37.718 -0.673 2
1 764 . 1 1 A 169 169 TYR N N 172 118.769 119.537 -0.768 2
1 765 . 1 1 A 170 170 GLU H H 173 7.564 0.000 7.564 2
1 766 . 1 1 A 170 170 GLU C C 173 177.989 178.579 -0.590 2
1 767 . 1 1 A 170 170 GLU CA C 173 60.043 59.807 0.236 2
1 768 . 1 1 A 170 170 GLU CB C 173 29.969 28.947 1.022 2
1 769 . 1 1 A 170 170 GLU N N 173 118.710 119.802 -1.092 2
1 770 . 1 1 A 171 171 LYS H H 174 7.980 0.000 7.980 2
1 771 . 1 1 A 171 171 LYS C C 174 178.245 179.118 -0.873 2
1 772 . 1 1 A 171 171 LYS CA C 174 59.741 59.365 0.376 2
1 773 . 1 1 A 171 171 LYS CB C 174 32.517 32.036 0.481 2
1 774 . 1 1 A 171 171 LYS N N 174 116.333 119.708 -3.375 2
1 775 . 1 1 A 172 172 LEU H H 175 6.766 0.000 6.766 2
1 776 . 1 1 A 172 172 LEU C C 175 178.168 179.589 -1.421 2
1 777 . 1 1 A 172 172 LEU CA C 175 56.275 57.497 -1.222 2
1 778 . 1 1 A 172 172 LEU CB C 175 43.399 41.324 2.075 2
1 779 . 1 1 A 172 172 LEU N N 175 116.812 119.458 -2.646 2
1 780 . 1 1 A 173 173 LEU H H 176 7.773 0.000 7.773 2
1 781 . 1 1 A 173 173 LEU C C 176 178.693 178.198 0.495 2
1 782 . 1 1 A 173 173 LEU CA C 176 56.874 56.174 0.700 2
1 783 . 1 1 A 173 173 LEU CB C 176 42.766 41.731 1.035 2
1 784 . 1 1 A 173 173 LEU N N 176 118.595 120.140 -1.545 2
1 785 . 1 1 A 174 174 LYS H H 177 8.075 0.000 8.075 2
1 786 . 1 1 A 174 174 LYS C C 177 177.417 179.081 -1.664 2
1 787 . 1 1 A 174 174 LYS CA C 177 59.605 60.096 -0.491 2
1 788 . 1 1 A 174 174 LYS CB C 177 32.468 32.368 0.100 2
1 789 . 1 1 A 174 174 LYS N N 177 118.442 120.069 -1.627 2
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