data_25597 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25597 _Entry.PDB_ID 2N2F save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25597 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY N N 2 111.189 111.189 109.012 2.177 25597 2 1 1 . 1 1 2 2 GLY H H 2 8.690 8.690 8.031 0.659 25597 3 1 1 . 1 1 3 3 GLY N N 3 107.332 107.332 106.816 0.516 25597 4 1 1 . 1 1 3 3 GLY H H 3 8.038 8.038 7.916 0.122 25597 5 1 1 . 1 1 4 4 PHE N N 4 118.585 118.585 120.102 -1.517 25597 6 1 1 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.940 -0.349 25597 7 1 1 . 1 1 4 4 PHE H H 4 8.202 8.202 7.854 0.348 25597 8 1 1 . 1 1 5 5 LEU N N 5 123.075 123.075 122.475 0.600 25597 9 1 1 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.920 0.372 25597 10 1 1 . 1 1 5 5 LEU H H 5 8.279 8.279 8.101 0.178 25597 11 1 1 . 1 1 6 6 ARG N N 6 121.173 121.173 119.436 1.737 25597 12 1 1 . 1 1 6 6 ARG HA H 6 4.260 4.260 3.972 0.288 25597 13 1 1 . 1 1 6 6 ARG C C 6 176.067 176.067 177.523 -1.456 25597 14 1 1 . 1 1 6 6 ARG CA C 6 55.970 55.970 58.345 -2.375 25597 15 1 1 . 1 1 6 6 ARG CB C 6 30.595 30.595 29.586 1.009 25597 16 1 1 . 1 1 6 6 ARG H H 6 8.312 8.312 8.468 -0.156 25597 17 1 1 . 1 1 7 7 ARG N N 7 121.712 121.712 117.761 3.951 25597 18 1 1 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.091 0.221 25597 19 1 1 . 1 1 7 7 ARG C C 7 176.067 176.067 176.438 -0.371 25597 20 1 1 . 1 1 7 7 ARG CA C 7 55.970 55.970 58.087 -2.118 25597 21 1 1 . 1 1 7 7 ARG CB C 7 30.783 30.783 29.855 0.928 25597 22 1 1 . 1 1 7 7 ARG H H 7 8.396 8.396 7.373 1.023 25597 23 1 1 . 1 1 8 8 ILE N N 8 122.082 122.082 114.441 7.641 25597 24 1 1 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.434 -0.291 25597 25 1 1 . 1 1 8 8 ILE H H 8 8.374 8.374 7.522 0.852 25597 26 1 1 . 1 1 9 9 ARG N N 9 126.054 126.054 122.251 3.803 25597 27 1 1 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.136 0.470 25597 28 1 1 . 1 1 9 9 ARG C C 9 174.005 174.005 174.722 -0.717 25597 29 1 1 . 1 1 9 9 ARG CA C 9 53.858 53.858 56.273 -2.416 25597 30 1 1 . 1 1 9 9 ARG CB C 9 30.116 30.116 28.003 2.114 25597 31 1 1 . 1 1 9 9 ARG H H 9 8.569 8.569 8.801 -0.232 25597 32 1 1 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.558 -0.160 25597 33 1 1 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.429 -0.145 25597 34 1 1 . 1 1 11 11 LYS H H 11 8.520 8.520 7.789 0.731 25597 35 1 1 . 1 1 12 12 LEU N N 12 123.681 123.681 119.817 3.864 25597 36 1 1 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.205 0.136 25597 37 1 1 . 1 1 12 12 LEU H H 12 8.481 8.481 7.672 0.809 25597 38 1 2 . 1 1 2 2 GLY N N 2 111.189 111.189 109.051 2.138 25597 39 1 2 . 1 1 2 2 GLY H H 2 8.690 8.690 8.315 0.375 25597 40 1 2 . 1 1 3 3 GLY N N 3 107.332 107.332 106.953 0.379 25597 41 1 2 . 1 1 3 3 GLY H H 3 8.038 8.038 8.314 -0.276 25597 42 1 2 . 1 1 4 4 PHE N N 4 118.585 118.585 119.209 -0.624 25597 43 1 2 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.847 -0.256 25597 44 1 2 . 1 1 4 4 PHE H H 4 8.202 8.202 7.677 0.525 25597 45 1 2 . 1 1 5 5 LEU N N 5 123.075 123.075 121.842 1.233 25597 46 1 2 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.847 0.445 25597 47 1 2 . 1 1 5 5 LEU H H 5 8.279 8.279 8.193 0.086 25597 48 1 2 . 1 1 6 6 ARG N N 6 121.173 121.173 118.553 2.620 25597 49 1 2 . 1 1 6 6 ARG HA H 6 4.260 4.260 3.860 0.400 25597 50 1 2 . 1 1 6 6 ARG C C 6 176.067 176.067 177.271 -1.204 25597 51 1 2 . 1 1 6 6 ARG CA C 6 55.970 55.970 58.199 -2.229 25597 52 1 2 . 1 1 6 6 ARG CB C 6 30.595 30.595 29.415 1.180 25597 53 1 2 . 1 1 6 6 ARG H H 6 8.312 8.312 7.629 0.683 25597 54 1 2 . 1 1 7 7 ARG N N 7 121.712 121.712 117.118 4.594 25597 55 1 2 . 1 1 7 7 ARG HA H 7 4.312 4.312 3.873 0.439 25597 56 1 2 . 1 1 7 7 ARG C C 7 176.067 176.067 176.304 -0.237 25597 57 1 2 . 1 1 7 7 ARG CA C 7 55.970 55.970 57.490 -1.520 25597 58 1 2 . 1 1 7 7 ARG CB C 7 30.783 30.783 29.225 1.558 25597 59 1 2 . 1 1 7 7 ARG H H 7 8.396 8.396 7.655 0.741 25597 60 1 2 . 1 1 8 8 ILE N N 8 122.082 122.082 113.459 8.623 25597 61 1 2 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.453 -0.310 25597 62 1 2 . 1 1 8 8 ILE H H 8 8.374 8.374 7.349 1.025 25597 63 1 2 . 1 1 9 9 ARG N N 9 126.054 126.054 120.309 5.745 25597 64 1 2 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.156 0.450 25597 65 1 2 . 1 1 9 9 ARG C C 9 174.005 174.005 174.757 -0.752 25597 66 1 2 . 1 1 9 9 ARG CA C 9 53.858 53.858 56.028 -2.170 25597 67 1 2 . 1 1 9 9 ARG CB C 9 30.116 30.116 27.465 2.651 25597 68 1 2 . 1 1 9 9 ARG H H 9 8.569 8.569 8.782 -0.213 25597 69 1 2 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.459 -0.061 25597 70 1 2 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.485 -0.201 25597 71 1 2 . 1 1 11 11 LYS H H 11 8.520 8.520 8.237 0.283 25597 72 1 2 . 1 1 12 12 LEU N N 12 123.681 123.681 120.230 3.451 25597 73 1 2 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.646 -0.305 25597 74 1 2 . 1 1 12 12 LEU H H 12 8.481 8.481 7.981 0.499 25597 75 1 3 . 1 1 2 2 GLY N N 2 111.189 111.189 112.305 -1.116 25597 76 1 3 . 1 1 2 2 GLY H H 2 8.690 8.690 8.328 0.362 25597 77 1 3 . 1 1 3 3 GLY N N 3 107.332 107.332 108.597 -1.265 25597 78 1 3 . 1 1 3 3 GLY H H 3 8.038 8.038 8.216 -0.177 25597 79 1 3 . 1 1 4 4 PHE N N 4 118.585 118.585 119.671 -1.086 25597 80 1 3 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.789 -0.198 25597 81 1 3 . 1 1 4 4 PHE H H 4 8.202 8.202 7.850 0.352 25597 82 1 3 . 1 1 5 5 LEU N N 5 123.075 123.075 122.173 0.902 25597 83 1 3 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.942 0.350 25597 84 1 3 . 1 1 5 5 LEU H H 5 8.279 8.279 8.051 0.228 25597 85 1 3 . 1 1 6 6 ARG N N 6 121.173 121.173 121.014 0.159 25597 86 1 3 . 1 1 6 6 ARG HA H 6 4.260 4.260 3.889 0.371 25597 87 1 3 . 1 1 6 6 ARG C C 6 176.067 176.067 178.282 -2.215 25597 88 1 3 . 1 1 6 6 ARG CA C 6 55.970 55.970 58.223 -2.253 25597 89 1 3 . 1 1 6 6 ARG CB C 6 30.595 30.595 29.568 1.027 25597 90 1 3 . 1 1 6 6 ARG H H 6 8.312 8.312 7.874 0.438 25597 91 1 3 . 1 1 7 7 ARG N N 7 121.712 121.712 120.980 0.732 25597 92 1 3 . 1 1 7 7 ARG HA H 7 4.312 4.312 3.993 0.319 25597 93 1 3 . 1 1 7 7 ARG C C 7 176.067 176.067 175.514 0.553 25597 94 1 3 . 1 1 7 7 ARG CA C 7 55.970 55.970 55.431 0.539 25597 95 1 3 . 1 1 7 7 ARG CB C 7 30.783 30.783 28.143 2.639 25597 96 1 3 . 1 1 7 7 ARG H H 7 8.396 8.396 7.421 0.975 25597 97 1 3 . 1 1 8 8 ILE N N 8 122.082 122.082 114.048 8.034 25597 98 1 3 . 1 1 8 8 ILE HA H 8 4.143 4.143 3.727 0.416 25597 99 1 3 . 1 1 8 8 ILE H H 8 8.374 8.374 8.161 0.213 25597 100 1 3 . 1 1 9 9 ARG N N 9 126.054 126.054 119.750 6.304 25597 101 1 3 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.731 -0.125 25597 102 1 3 . 1 1 9 9 ARG C C 9 174.005 174.005 174.922 -0.917 25597 103 1 3 . 1 1 9 9 ARG CA C 9 53.858 53.858 52.402 1.456 25597 104 1 3 . 1 1 9 9 ARG CB C 9 30.116 30.116 29.416 0.700 25597 105 1 3 . 1 1 9 9 ARG H H 9 8.569 8.569 7.717 0.852 25597 106 1 3 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.654 -0.256 25597 107 1 3 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.296 -0.012 25597 108 1 3 . 1 1 11 11 LYS H H 11 8.520 8.520 8.196 0.324 25597 109 1 3 . 1 1 12 12 LEU N N 12 123.681 123.681 120.156 3.525 25597 110 1 3 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.606 -0.265 25597 111 1 3 . 1 1 12 12 LEU H H 12 8.481 8.481 7.935 0.546 25597 112 1 4 . 1 1 2 2 GLY N N 2 111.189 111.189 108.214 2.975 25597 113 1 4 . 1 1 2 2 GLY H H 2 8.690 8.690 9.364 -0.674 25597 114 1 4 . 1 1 3 3 GLY N N 3 107.332 107.332 109.386 -2.054 25597 115 1 4 . 1 1 3 3 GLY H H 3 8.038 8.038 7.980 0.058 25597 116 1 4 . 1 1 4 4 PHE N N 4 118.585 118.585 122.531 -3.946 25597 117 1 4 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.350 0.241 25597 118 1 4 . 1 1 4 4 PHE H H 4 8.202 8.202 8.570 -0.368 25597 119 1 4 . 1 1 5 5 LEU N N 5 123.075 123.075 119.312 3.763 25597 120 1 4 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.736 0.556 25597 121 1 4 . 1 1 5 5 LEU H H 5 8.279 8.279 7.914 0.365 25597 122 1 4 . 1 1 6 6 ARG N N 6 121.173 121.173 119.776 1.397 25597 123 1 4 . 1 1 6 6 ARG HA H 6 4.260 4.260 3.868 0.392 25597 124 1 4 . 1 1 6 6 ARG C C 6 176.067 176.067 178.383 -2.316 25597 125 1 4 . 1 1 6 6 ARG CA C 6 55.970 55.970 58.424 -2.454 25597 126 1 4 . 1 1 6 6 ARG CB C 6 30.595 30.595 29.375 1.220 25597 127 1 4 . 1 1 6 6 ARG H H 6 8.312 8.312 8.148 0.164 25597 128 1 4 . 1 1 7 7 ARG N N 7 121.712 121.712 120.699 1.013 25597 129 1 4 . 1 1 7 7 ARG HA H 7 4.312 4.312 3.976 0.336 25597 130 1 4 . 1 1 7 7 ARG C C 7 176.067 176.067 175.747 0.320 25597 131 1 4 . 1 1 7 7 ARG CA C 7 55.970 55.970 57.864 -1.893 25597 132 1 4 . 1 1 7 7 ARG CB C 7 30.783 30.783 30.262 0.522 25597 133 1 4 . 1 1 7 7 ARG H H 7 8.396 8.396 7.645 0.751 25597 134 1 4 . 1 1 8 8 ILE N N 8 122.082 122.082 113.621 8.461 25597 135 1 4 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.254 -0.111 25597 136 1 4 . 1 1 8 8 ILE H H 8 8.374 8.374 7.602 0.772 25597 137 1 4 . 1 1 9 9 ARG N N 9 126.054 126.054 124.014 2.040 25597 138 1 4 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.121 0.485 25597 139 1 4 . 1 1 9 9 ARG C C 9 174.005 174.005 175.321 -1.316 25597 140 1 4 . 1 1 9 9 ARG CA C 9 53.858 53.858 56.068 -2.210 25597 141 1 4 . 1 1 9 9 ARG CB C 9 30.116 30.116 28.621 1.495 25597 142 1 4 . 1 1 9 9 ARG H H 9 8.569 8.569 8.876 -0.307 25597 143 1 4 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.272 0.126 25597 144 1 4 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.424 -0.140 25597 145 1 4 . 1 1 11 11 LYS H H 11 8.520 8.520 7.662 0.858 25597 146 1 4 . 1 1 12 12 LEU N N 12 123.681 123.681 116.916 6.765 25597 147 1 4 . 1 1 12 12 LEU HA H 12 4.341 4.341 3.878 0.463 25597 148 1 4 . 1 1 12 12 LEU H H 12 8.481 8.481 8.415 0.066 25597 149 1 5 . 1 1 2 2 GLY N N 2 111.189 111.189 109.182 2.007 25597 150 1 5 . 1 1 2 2 GLY H H 2 8.690 8.690 9.090 -0.400 25597 151 1 5 . 1 1 3 3 GLY N N 3 107.332 107.332 108.730 -1.398 25597 152 1 5 . 1 1 3 3 GLY H H 3 8.038 8.038 7.989 0.049 25597 153 1 5 . 1 1 4 4 PHE N N 4 118.585 118.585 121.914 -3.329 25597 154 1 5 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.886 -0.295 25597 155 1 5 . 1 1 4 4 PHE H H 4 8.202 8.202 8.000 0.202 25597 156 1 5 . 1 1 5 5 LEU N N 5 123.075 123.075 120.650 2.425 25597 157 1 5 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.971 0.321 25597 158 1 5 . 1 1 5 5 LEU H H 5 8.279 8.279 7.676 0.603 25597 159 1 5 . 1 1 6 6 ARG N N 6 121.173 121.173 117.261 3.912 25597 160 1 5 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.040 0.220 25597 161 1 5 . 1 1 6 6 ARG C C 6 176.067 176.067 177.419 -1.352 25597 162 1 5 . 1 1 6 6 ARG CA C 6 55.970 55.970 56.770 -0.800 25597 163 1 5 . 1 1 6 6 ARG CB C 6 30.595 30.595 29.285 1.310 25597 164 1 5 . 1 1 6 6 ARG H H 6 8.312 8.312 7.957 0.355 25597 165 1 5 . 1 1 7 7 ARG N N 7 121.712 121.712 119.245 2.467 25597 166 1 5 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.135 0.177 25597 167 1 5 . 1 1 7 7 ARG C C 7 176.067 176.067 175.935 0.132 25597 168 1 5 . 1 1 7 7 ARG CA C 7 55.970 55.970 55.274 0.696 25597 169 1 5 . 1 1 7 7 ARG CB C 7 30.783 30.783 27.776 3.007 25597 170 1 5 . 1 1 7 7 ARG H H 7 8.396 8.396 7.373 1.023 25597 171 1 5 . 1 1 8 8 ILE N N 8 122.082 122.082 116.325 5.757 25597 172 1 5 . 1 1 8 8 ILE HA H 8 4.143 4.143 3.723 0.420 25597 173 1 5 . 1 1 8 8 ILE H H 8 8.374 8.374 7.735 0.639 25597 174 1 5 . 1 1 9 9 ARG N N 9 126.054 126.054 120.101 5.953 25597 175 1 5 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.173 0.433 25597 176 1 5 . 1 1 9 9 ARG C C 9 174.005 174.005 174.946 -0.941 25597 177 1 5 . 1 1 9 9 ARG CA C 9 53.858 53.858 55.931 -2.072 25597 178 1 5 . 1 1 9 9 ARG CB C 9 30.116 30.116 27.704 2.412 25597 179 1 5 . 1 1 9 9 ARG H H 9 8.569 8.569 8.787 -0.218 25597 180 1 5 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.444 -0.046 25597 181 1 5 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.459 -0.175 25597 182 1 5 . 1 1 11 11 LYS H H 11 8.520 8.520 7.862 0.658 25597 183 1 5 . 1 1 12 12 LEU N N 12 123.681 123.681 120.898 2.783 25597 184 1 5 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.299 0.042 25597 185 1 5 . 1 1 12 12 LEU H H 12 8.481 8.481 8.029 0.452 25597 186 1 6 . 1 1 2 2 GLY N N 2 111.189 111.189 108.484 2.705 25597 187 1 6 . 1 1 2 2 GLY H H 2 8.690 8.690 9.622 -0.932 25597 188 1 6 . 1 1 3 3 GLY N N 3 107.332 107.332 108.323 -0.991 25597 189 1 6 . 1 1 3 3 GLY H H 3 8.038 8.038 8.093 -0.055 25597 190 1 6 . 1 1 4 4 PHE N N 4 118.585 118.585 122.973 -4.388 25597 191 1 6 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.621 -0.030 25597 192 1 6 . 1 1 4 4 PHE H H 4 8.202 8.202 8.206 -0.004 25597 193 1 6 . 1 1 5 5 LEU N N 5 123.075 123.075 119.974 3.101 25597 194 1 6 . 1 1 5 5 LEU HA H 5 4.292 4.292 4.004 0.288 25597 195 1 6 . 1 1 5 5 LEU H H 5 8.279 8.279 7.830 0.449 25597 196 1 6 . 1 1 6 6 ARG N N 6 121.173 121.173 119.113 2.060 25597 197 1 6 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.083 0.177 25597 198 1 6 . 1 1 6 6 ARG C C 6 176.067 176.067 177.425 -1.358 25597 199 1 6 . 1 1 6 6 ARG CA C 6 55.970 55.970 56.139 -0.169 25597 200 1 6 . 1 1 6 6 ARG CB C 6 30.595 30.595 29.155 1.440 25597 201 1 6 . 1 1 6 6 ARG H H 6 8.312 8.312 7.366 0.946 25597 202 1 6 . 1 1 7 7 ARG N N 7 121.712 121.712 120.179 1.533 25597 203 1 6 . 1 1 7 7 ARG HA H 7 4.312 4.312 3.863 0.449 25597 204 1 6 . 1 1 7 7 ARG C C 7 176.067 176.067 175.920 0.147 25597 205 1 6 . 1 1 7 7 ARG CA C 7 55.970 55.970 58.026 -2.056 25597 206 1 6 . 1 1 7 7 ARG CB C 7 30.783 30.783 30.403 0.380 25597 207 1 6 . 1 1 7 7 ARG H H 7 8.396 8.396 7.600 0.796 25597 208 1 6 . 1 1 8 8 ILE N N 8 122.082 122.082 112.759 9.323 25597 209 1 6 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.101 0.042 25597 210 1 6 . 1 1 8 8 ILE H H 8 8.374 8.374 7.430 0.944 25597 211 1 6 . 1 1 9 9 ARG N N 9 126.054 126.054 119.591 6.463 25597 212 1 6 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.204 0.402 25597 213 1 6 . 1 1 9 9 ARG C C 9 174.005 174.005 173.805 0.200 25597 214 1 6 . 1 1 9 9 ARG CA C 9 53.858 53.858 55.635 -1.777 25597 215 1 6 . 1 1 9 9 ARG CB C 9 30.116 30.116 28.058 2.058 25597 216 1 6 . 1 1 9 9 ARG H H 9 8.569 8.569 8.929 -0.360 25597 217 1 6 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.507 -0.109 25597 218 1 6 . 1 1 11 11 LYS HA H 11 4.284 4.284 3.984 0.300 25597 219 1 6 . 1 1 11 11 LYS H H 11 8.520 8.520 8.686 -0.166 25597 220 1 6 . 1 1 12 12 LEU N N 12 123.681 123.681 118.653 5.028 25597 221 1 6 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.356 -0.015 25597 222 1 6 . 1 1 12 12 LEU H H 12 8.481 8.481 7.413 1.068 25597 223 1 7 . 1 1 2 2 GLY N N 2 111.189 111.189 110.370 0.819 25597 224 1 7 . 1 1 2 2 GLY H H 2 8.690 8.690 8.571 0.119 25597 225 1 7 . 1 1 3 3 GLY N N 3 107.332 107.332 108.690 -1.358 25597 226 1 7 . 1 1 3 3 GLY H H 3 8.038 8.038 8.137 -0.099 25597 227 1 7 . 1 1 4 4 PHE N N 4 118.585 118.585 121.907 -3.322 25597 228 1 7 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.584 0.007 25597 229 1 7 . 1 1 4 4 PHE H H 4 8.202 8.202 8.043 0.159 25597 230 1 7 . 1 1 5 5 LEU N N 5 123.075 123.075 119.827 3.248 25597 231 1 7 . 1 1 5 5 LEU HA H 5 4.292 4.292 4.154 0.138 25597 232 1 7 . 1 1 5 5 LEU H H 5 8.279 8.279 7.734 0.545 25597 233 1 7 . 1 1 6 6 ARG N N 6 121.173 121.173 120.336 0.837 25597 234 1 7 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.141 0.119 25597 235 1 7 . 1 1 6 6 ARG C C 6 176.067 176.067 175.994 0.073 25597 236 1 7 . 1 1 6 6 ARG CA C 6 55.970 55.970 56.628 -0.658 25597 237 1 7 . 1 1 6 6 ARG CB C 6 30.595 30.595 27.641 2.954 25597 238 1 7 . 1 1 6 6 ARG H H 6 8.312 8.312 7.936 0.376 25597 239 1 7 . 1 1 7 7 ARG N N 7 121.712 121.712 119.417 2.295 25597 240 1 7 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.260 0.052 25597 241 1 7 . 1 1 7 7 ARG C C 7 176.067 176.067 175.867 0.200 25597 242 1 7 . 1 1 7 7 ARG CA C 7 55.970 55.970 56.507 -0.537 25597 243 1 7 . 1 1 7 7 ARG CB C 7 30.783 30.783 30.243 0.540 25597 244 1 7 . 1 1 7 7 ARG H H 7 8.396 8.396 8.135 0.261 25597 245 1 7 . 1 1 8 8 ILE N N 8 122.082 122.082 114.698 7.384 25597 246 1 7 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.314 -0.171 25597 247 1 7 . 1 1 8 8 ILE H H 8 8.374 8.374 7.408 0.966 25597 248 1 7 . 1 1 9 9 ARG N N 9 126.054 126.054 119.443 6.611 25597 249 1 7 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.088 0.518 25597 250 1 7 . 1 1 9 9 ARG C C 9 174.005 174.005 174.267 -0.262 25597 251 1 7 . 1 1 9 9 ARG CA C 9 53.858 53.858 56.066 -2.208 25597 252 1 7 . 1 1 9 9 ARG CB C 9 30.116 30.116 27.675 2.441 25597 253 1 7 . 1 1 9 9 ARG H H 9 8.569 8.569 8.701 -0.132 25597 254 1 7 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.314 0.084 25597 255 1 7 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.033 0.251 25597 256 1 7 . 1 1 11 11 LYS H H 11 8.520 8.520 8.614 -0.094 25597 257 1 7 . 1 1 12 12 LEU N N 12 123.681 123.681 117.209 6.472 25597 258 1 7 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.330 0.011 25597 259 1 7 . 1 1 12 12 LEU H H 12 8.481 8.481 7.833 0.648 25597 260 1 8 . 1 1 2 2 GLY N N 2 111.189 111.189 110.310 0.879 25597 261 1 8 . 1 1 2 2 GLY H H 2 8.690 8.690 8.961 -0.271 25597 262 1 8 . 1 1 3 3 GLY N N 3 107.332 107.332 110.411 -3.079 25597 263 1 8 . 1 1 3 3 GLY H H 3 8.038 8.038 8.301 -0.263 25597 264 1 8 . 1 1 4 4 PHE N N 4 118.585 118.585 123.442 -4.857 25597 265 1 8 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.516 0.075 25597 266 1 8 . 1 1 4 4 PHE H H 4 8.202 8.202 7.949 0.253 25597 267 1 8 . 1 1 5 5 LEU N N 5 123.075 123.075 118.391 4.684 25597 268 1 8 . 1 1 5 5 LEU HA H 5 4.292 4.292 4.167 0.125 25597 269 1 8 . 1 1 5 5 LEU H H 5 8.279 8.279 7.503 0.776 25597 270 1 8 . 1 1 6 6 ARG N N 6 121.173 121.173 120.018 1.155 25597 271 1 8 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.227 0.033 25597 272 1 8 . 1 1 6 6 ARG C C 6 176.067 176.067 176.278 -0.211 25597 273 1 8 . 1 1 6 6 ARG CA C 6 55.970 55.970 54.950 1.020 25597 274 1 8 . 1 1 6 6 ARG CB C 6 30.595 30.595 27.409 3.186 25597 275 1 8 . 1 1 6 6 ARG H H 6 8.312 8.312 7.910 0.402 25597 276 1 8 . 1 1 7 7 ARG N N 7 121.712 121.712 120.120 1.592 25597 277 1 8 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.087 0.225 25597 278 1 8 . 1 1 7 7 ARG C C 7 176.067 176.067 176.096 -0.029 25597 279 1 8 . 1 1 7 7 ARG CA C 7 55.970 55.970 55.324 0.646 25597 280 1 8 . 1 1 7 7 ARG CB C 7 30.783 30.783 27.749 3.034 25597 281 1 8 . 1 1 7 7 ARG H H 7 8.396 8.396 7.481 0.915 25597 282 1 8 . 1 1 8 8 ILE N N 8 122.082 122.082 116.369 5.713 25597 283 1 8 . 1 1 8 8 ILE HA H 8 4.143 4.143 3.801 0.342 25597 284 1 8 . 1 1 8 8 ILE H H 8 8.374 8.374 7.744 0.630 25597 285 1 8 . 1 1 9 9 ARG N N 9 126.054 126.054 120.838 5.216 25597 286 1 8 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.255 0.351 25597 287 1 8 . 1 1 9 9 ARG C C 9 174.005 174.005 175.340 -1.335 25597 288 1 8 . 1 1 9 9 ARG CA C 9 53.858 53.858 55.877 -2.019 25597 289 1 8 . 1 1 9 9 ARG CB C 9 30.116 30.116 27.376 2.740 25597 290 1 8 . 1 1 9 9 ARG H H 9 8.569 8.569 8.534 0.035 25597 291 1 8 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.375 0.023 25597 292 1 8 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.453 -0.169 25597 293 1 8 . 1 1 11 11 LYS H H 11 8.520 8.520 7.681 0.839 25597 294 1 8 . 1 1 12 12 LEU N N 12 123.681 123.681 119.811 3.870 25597 295 1 8 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.124 0.217 25597 296 1 8 . 1 1 12 12 LEU H H 12 8.481 8.481 7.748 0.733 25597 297 1 9 . 1 1 2 2 GLY N N 2 111.189 111.189 109.437 1.752 25597 298 1 9 . 1 1 2 2 GLY H H 2 8.690 8.690 8.436 0.254 25597 299 1 9 . 1 1 3 3 GLY N N 3 107.332 107.332 106.580 0.752 25597 300 1 9 . 1 1 3 3 GLY H H 3 8.038 8.038 8.371 -0.333 25597 301 1 9 . 1 1 4 4 PHE N N 4 118.585 118.585 120.620 -2.035 25597 302 1 9 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.944 -0.353 25597 303 1 9 . 1 1 4 4 PHE H H 4 8.202 8.202 7.792 0.410 25597 304 1 9 . 1 1 5 5 LEU N N 5 123.075 123.075 122.420 0.655 25597 305 1 9 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.889 0.403 25597 306 1 9 . 1 1 5 5 LEU H H 5 8.279 8.279 8.017 0.262 25597 307 1 9 . 1 1 6 6 ARG N N 6 121.173 121.173 118.657 2.516 25597 308 1 9 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.047 0.213 25597 309 1 9 . 1 1 6 6 ARG C C 6 176.067 176.067 177.909 -1.842 25597 310 1 9 . 1 1 6 6 ARG CA C 6 55.970 55.970 57.549 -1.579 25597 311 1 9 . 1 1 6 6 ARG CB C 6 30.595 30.595 28.633 1.962 25597 312 1 9 . 1 1 6 6 ARG H H 6 8.312 8.312 8.205 0.107 25597 313 1 9 . 1 1 7 7 ARG N N 7 121.712 121.712 118.887 2.825 25597 314 1 9 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.008 0.304 25597 315 1 9 . 1 1 7 7 ARG C C 7 176.067 176.067 176.853 -0.786 25597 316 1 9 . 1 1 7 7 ARG CA C 7 55.970 55.970 57.090 -1.120 25597 317 1 9 . 1 1 7 7 ARG CB C 7 30.783 30.783 29.832 0.951 25597 318 1 9 . 1 1 7 7 ARG H H 7 8.396 8.396 7.278 1.118 25597 319 1 9 . 1 1 8 8 ILE N N 8 122.082 122.082 117.260 4.822 25597 320 1 9 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.382 -0.239 25597 321 1 9 . 1 1 8 8 ILE H H 8 8.374 8.374 7.673 0.701 25597 322 1 9 . 1 1 9 9 ARG N N 9 126.054 126.054 122.765 3.289 25597 323 1 9 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.155 0.451 25597 324 1 9 . 1 1 9 9 ARG C C 9 174.005 174.005 174.288 -0.283 25597 325 1 9 . 1 1 9 9 ARG CA C 9 53.858 53.858 55.475 -1.617 25597 326 1 9 . 1 1 9 9 ARG CB C 9 30.116 30.116 27.640 2.476 25597 327 1 9 . 1 1 9 9 ARG H H 9 8.569 8.569 9.030 -0.461 25597 328 1 9 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.523 -0.125 25597 329 1 9 . 1 1 11 11 LYS HA H 11 4.284 4.284 3.880 0.404 25597 330 1 9 . 1 1 11 11 LYS H H 11 8.520 8.520 8.076 0.444 25597 331 1 9 . 1 1 12 12 LEU N N 12 123.681 123.681 116.369 7.312 25597 332 1 9 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.515 -0.174 25597 333 1 9 . 1 1 12 12 LEU H H 12 8.481 8.481 7.581 0.900 25597 334 1 10 . 1 1 2 2 GLY N N 2 111.189 111.189 110.605 0.584 25597 335 1 10 . 1 1 2 2 GLY H H 2 8.690 8.690 8.507 0.183 25597 336 1 10 . 1 1 3 3 GLY N N 3 107.332 107.332 109.136 -1.804 25597 337 1 10 . 1 1 3 3 GLY H H 3 8.038 8.038 8.016 0.022 25597 338 1 10 . 1 1 4 4 PHE N N 4 118.585 118.585 121.323 -2.738 25597 339 1 10 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.337 0.254 25597 340 1 10 . 1 1 4 4 PHE H H 4 8.202 8.202 8.201 0.001 25597 341 1 10 . 1 1 5 5 LEU N N 5 123.075 123.075 117.354 5.721 25597 342 1 10 . 1 1 5 5 LEU HA H 5 4.292 4.292 4.001 0.291 25597 343 1 10 . 1 1 5 5 LEU H H 5 8.279 8.279 7.772 0.507 25597 344 1 10 . 1 1 6 6 ARG N N 6 121.173 121.173 119.814 1.359 25597 345 1 10 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.142 0.118 25597 346 1 10 . 1 1 6 6 ARG C C 6 176.067 176.067 176.262 -0.195 25597 347 1 10 . 1 1 6 6 ARG CA C 6 55.970 55.970 56.333 -0.363 25597 348 1 10 . 1 1 6 6 ARG CB C 6 30.595 30.595 28.492 2.103 25597 349 1 10 . 1 1 6 6 ARG H H 6 8.312 8.312 7.235 1.077 25597 350 1 10 . 1 1 7 7 ARG N N 7 121.712 121.712 120.373 1.339 25597 351 1 10 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.129 0.183 25597 352 1 10 . 1 1 7 7 ARG C C 7 176.067 176.067 175.854 0.213 25597 353 1 10 . 1 1 7 7 ARG CA C 7 55.970 55.970 56.018 -0.048 25597 354 1 10 . 1 1 7 7 ARG CB C 7 30.783 30.783 30.632 0.151 25597 355 1 10 . 1 1 7 7 ARG H H 7 8.396 8.396 7.874 0.522 25597 356 1 10 . 1 1 8 8 ILE N N 8 122.082 122.082 114.731 7.351 25597 357 1 10 . 1 1 8 8 ILE HA H 8 4.143 4.143 3.901 0.242 25597 358 1 10 . 1 1 8 8 ILE H H 8 8.374 8.374 8.014 0.360 25597 359 1 10 . 1 1 9 9 ARG N N 9 126.054 126.054 121.426 4.628 25597 360 1 10 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.793 -0.187 25597 361 1 10 . 1 1 9 9 ARG C C 9 174.005 174.005 175.237 -1.232 25597 362 1 10 . 1 1 9 9 ARG CA C 9 53.858 53.858 53.119 0.739 25597 363 1 10 . 1 1 9 9 ARG CB C 9 30.116 30.116 30.470 -0.354 25597 364 1 10 . 1 1 9 9 ARG H H 9 8.569 8.569 8.114 0.455 25597 365 1 10 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.638 -0.240 25597 366 1 10 . 1 1 11 11 LYS HA H 11 4.284 4.284 3.970 0.314 25597 367 1 10 . 1 1 11 11 LYS H H 11 8.520 8.520 8.053 0.467 25597 368 1 10 . 1 1 12 12 LEU N N 12 123.681 123.681 116.576 7.105 25597 369 1 10 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.431 -0.090 25597 370 1 10 . 1 1 12 12 LEU H H 12 8.481 8.481 7.821 0.660 25597 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 9 3.560 -2.530 2.656 25597 2 1 1 "Average Difference" HA 13 0.262 0.010 0.272 25597 3 1 1 "Average Difference" C 3 0.961 0.848 0.554 25597 4 1 1 "Average Difference" CA 3 2.306 2.303 0.162 25597 5 1 1 "Average Difference" CB 3 1.454 -1.350 0.662 25597 6 1 1 "Average Difference" HN 10 0.603 -0.433 0.443 25597 7 1 2 "Average Difference" N 9 4.135 -3.129 2.867 25597 8 1 2 "Average Difference" HA 13 0.308 -0.111 0.299 25597 9 1 2 "Average Difference" C 3 0.831 0.731 0.484 25597 10 1 2 "Average Difference" CA 3 1.999 1.973 0.393 25597 11 1 2 "Average Difference" CB 3 1.901 -1.796 0.764 25597 12 1 2 "Average Difference" HN 10 0.542 -0.373 0.415 25597 13 1 3 "Average Difference" N 9 3.683 -1.799 3.409 25597 14 1 3 "Average Difference" HA 13 0.252 -0.093 0.244 25597 15 1 3 "Average Difference" C 3 1.420 0.860 1.385 25597 16 1 3 "Average Difference" CA 3 1.580 0.086 1.932 25597 17 1 3 "Average Difference" CB 3 1.684 -1.456 1.038 25597 18 1 3 "Average Difference" HN 10 0.515 -0.411 0.327 25597 19 1 4 "Average Difference" N 9 4.311 -2.268 3.889 25597 20 1 4 "Average Difference" HA 13 0.301 -0.215 0.220 25597 21 1 4 "Average Difference" C 3 1.549 1.104 1.331 25597 22 1 4 "Average Difference" CA 3 2.198 2.186 0.281 25597 23 1 4 "Average Difference" CB 3 1.154 -1.079 0.502 25597 24 1 4 "Average Difference" HN 10 0.524 -0.169 0.523 25597 25 1 5 "Average Difference" N 9 3.662 -2.286 3.033 25597 26 1 5 "Average Difference" HA 13 0.304 -0.037 0.314 25597 27 1 5 "Average Difference" C 3 0.954 0.720 0.766 25597 28 1 5 "Average Difference" CA 3 1.344 0.726 1.386 25597 29 1 5 "Average Difference" CB 3 2.350 -2.243 0.861 25597 30 1 5 "Average Difference" HN 10 0.532 -0.336 0.435 25597 31 1 6 "Average Difference" N 9 4.687 -2.759 4.019 25597 32 1 6 "Average Difference" HA 13 0.212 -0.119 0.182 25597 33 1 6 "Average Difference" C 3 0.797 0.337 0.885 25597 34 1 6 "Average Difference" CA 3 1.572 1.334 1.018 25597 35 1 6 "Average Difference" CB 3 1.467 -1.293 0.848 25597 36 1 6 "Average Difference" HN 10 0.692 -0.269 0.672 25597 37 1 7 "Average Difference" N 9 4.348 -2.554 3.733 25597 38 1 7 "Average Difference" HA 13 0.194 -0.114 0.163 25597 39 1 7 "Average Difference" C 3 0.195 -0.004 0.239 25597 40 1 7 "Average Difference" CA 3 1.366 1.134 0.932 25597 41 1 7 "Average Difference" CB 3 2.234 -1.978 1.271 25597 42 1 7 "Average Difference" HN 10 0.440 -0.275 0.362 25597 43 1 8 "Average Difference" N 9 3.865 -1.686 3.689 25597 44 1 8 "Average Difference" HA 13 0.182 -0.112 0.150 25597 45 1 8 "Average Difference" C 3 0.781 0.525 0.707 25597 46 1 8 "Average Difference" CA 3 1.358 0.118 1.657 25597 47 1 8 "Average Difference" CB 3 2.992 -2.986 0.227 25597 48 1 8 "Average Difference" HN 10 0.587 -0.405 0.448 25597 49 1 9 "Average Difference" N 9 3.497 -2.432 2.665 25597 50 1 9 "Average Difference" HA 13 0.265 -0.086 0.261 25597 51 1 9 "Average Difference" C 3 1.168 0.970 0.796 25597 52 1 9 "Average Difference" CA 3 1.456 1.439 0.276 25597 53 1 9 "Average Difference" CB 3 1.905 -1.796 0.776 25597 54 1 9 "Average Difference" HN 10 0.582 -0.340 0.497 25597 55 1 10 "Average Difference" N 9 4.389 -2.616 3.738 25597 56 1 10 "Average Difference" HA 13 0.196 -0.099 0.176 25597 57 1 10 "Average Difference" C 3 0.731 0.405 0.745 25597 58 1 10 "Average Difference" CA 3 0.476 -0.109 0.567 25597 59 1 10 "Average Difference" CB 3 1.234 -0.633 1.298 25597 60 1 10 "Average Difference" HN 10 0.521 -0.425 0.317 25597 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.Model_type average _Entity_delta_chem_shifts.Entry_ID 25597 _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.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY N N 2 111.189 111.189 109.697 1.492 25597 2 1 . 1 1 2 2 GLY H H 2 8.690 8.690 8.723 -0.033 25597 3 1 . 1 1 3 3 GLY N N 3 107.332 107.332 108.362 -1.030 25597 4 1 . 1 1 3 3 GLY H H 3 8.038 8.038 8.133 -0.095 25597 5 1 . 1 1 4 4 PHE N N 4 118.585 118.585 121.369 -2.784 25597 6 1 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.681 -0.090 25597 7 1 . 1 1 4 4 PHE H H 4 8.202 8.202 8.014 0.188 25597 8 1 . 1 1 5 5 LEU N N 5 123.075 123.075 120.442 2.633 25597 9 1 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.963 0.329 25597 10 1 . 1 1 5 5 LEU H H 5 8.279 8.279 7.879 0.400 25597 11 1 . 1 1 6 6 ARG N N 6 121.173 121.173 119.398 1.775 25597 12 1 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.027 0.233 25597 13 1 . 1 1 6 6 ARG C C 6 176.067 176.067 177.275 -1.208 25597 14 1 . 1 1 6 6 ARG CA C 6 55.970 55.970 57.156 -1.186 25597 15 1 . 1 1 6 6 ARG CB C 6 30.595 30.595 28.856 1.739 25597 16 1 . 1 1 6 6 ARG H H 6 8.312 8.312 7.873 0.439 25597 17 1 . 1 1 7 7 ARG N N 7 121.712 121.712 119.478 2.234 25597 18 1 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.041 0.271 25597 19 1 . 1 1 7 7 ARG C C 7 176.067 176.067 176.053 0.014 25597 20 1 . 1 1 7 7 ARG CA C 7 55.970 55.970 56.711 -0.741 25597 21 1 . 1 1 7 7 ARG CB C 7 30.783 30.783 29.412 1.371 25597 22 1 . 1 1 7 7 ARG H H 7 8.396 8.396 7.583 0.812 25597 23 1 . 1 1 8 8 ILE N N 8 122.082 122.082 114.771 7.311 25597 24 1 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.109 0.034 25597 25 1 . 1 1 8 8 ILE H H 8 8.374 8.374 7.664 0.710 25597 26 1 . 1 1 9 9 ARG N N 9 126.054 126.054 121.049 5.005 25597 27 1 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.281 0.325 25597 28 1 . 1 1 9 9 ARG C C 9 174.005 174.005 174.761 -0.756 25597 29 1 . 1 1 9 9 ARG CA C 9 53.858 53.858 55.287 -1.429 25597 30 1 . 1 1 9 9 ARG CB C 9 30.116 30.116 28.243 1.873 25597 31 1 . 1 1 9 9 ARG H H 9 8.569 8.569 8.627 -0.058 25597 32 1 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.474 -0.076 25597 33 1 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.241 0.043 25597 34 1 . 1 1 11 11 LYS H H 11 8.520 8.520 8.086 0.434 25597 35 1 . 1 1 12 12 LEU N N 12 123.681 123.681 118.663 5.018 25597 36 1 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.339 0.002 25597 37 1 . 1 1 12 12 LEU H H 12 8.481 8.481 7.843 0.638 25597 stop_ save_