data_17774 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17774 _Entry.PDB_ID 2LFQ 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 17774 _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 LYS C C 16 170.700 170.700 175.281 -4.581 17774 2 1 1 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.162 -3.462 17774 3 1 1 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.558 1.842 17774 4 1 1 . 1 1 4 4 VAL C C 18 170.200 170.200 174.741 -4.541 17774 5 1 1 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.292 -4.092 17774 6 1 1 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.509 -1.909 17774 7 1 1 . 1 1 5 5 PHE C C 19 170.800 170.800 173.860 -3.060 17774 8 1 1 . 1 1 5 5 PHE CA C 19 53.100 53.100 57.150 -4.050 17774 9 1 1 . 1 1 5 5 PHE CB C 19 41.000 41.000 40.491 0.509 17774 10 1 1 . 1 1 7 7 ALA C C 21 171.800 171.800 175.454 -3.654 17774 11 1 1 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.782 -3.982 17774 12 1 1 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.506 0.094 17774 13 1 1 . 1 1 8 8 GLU C C 22 170.700 170.700 175.030 -4.330 17774 14 1 1 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.193 -3.593 17774 15 1 1 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.358 3.042 17774 16 1 1 . 1 1 9 9 ASN C C 23 171.000 171.000 175.479 -4.479 17774 17 1 1 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.616 -3.016 17774 18 1 1 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.164 0.436 17774 19 1 1 . 1 1 14 14 LYS C C 28 173.300 173.300 176.844 -3.544 17774 20 1 1 . 1 1 14 14 LYS CA C 28 53.500 53.500 55.906 -2.405 17774 21 1 1 . 1 1 14 14 LYS CB C 28 29.800 29.800 33.103 -3.303 17774 22 1 1 . 1 1 16 16 ALA C C 30 172.600 172.600 175.635 -3.035 17774 23 1 1 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.764 -3.364 17774 24 1 1 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.372 -0.272 17774 25 1 1 . 1 1 17 17 ILE C C 31 171.500 171.500 174.001 -2.501 17774 26 1 1 . 1 1 17 17 ILE CA C 31 57.300 57.300 59.967 -2.667 17774 27 1 1 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.059 -1.060 17774 28 1 1 . 1 1 18 18 ILE C C 32 171.700 171.700 174.116 -2.416 17774 29 1 1 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.828 -4.428 17774 30 1 1 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.595 -1.395 17774 31 1 1 . 1 1 20 20 LEU C C 34 171.200 171.200 175.113 -3.913 17774 32 1 1 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.442 -2.342 17774 33 1 1 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.836 -1.136 17774 34 1 1 . 1 1 21 21 MET C C 35 171.300 171.300 175.707 -4.407 17774 35 1 1 . 1 1 21 21 MET CA C 35 52.000 52.000 54.841 -2.841 17774 36 1 1 . 1 1 21 21 MET CB C 35 33.800 33.800 35.435 -1.635 17774 37 1 1 . 1 1 22 22 VAL C C 36 171.500 171.500 175.866 -4.366 17774 38 1 1 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.815 -5.315 17774 39 1 1 . 1 1 22 22 VAL CB C 36 32.200 32.200 32.243 -0.043 17774 40 1 1 . 1 1 24 24 GLY C C 38 168.000 168.000 174.603 -6.603 17774 41 1 1 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.556 -1.756 17774 42 1 1 . 1 1 25 25 VAL C C 39 172.100 172.100 175.678 -3.578 17774 43 1 1 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.333 -3.632 17774 44 1 1 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.478 -1.278 17774 45 1 2 . 1 1 2 2 LYS C C 16 170.700 170.700 175.118 -4.418 17774 46 1 2 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.315 -3.615 17774 47 1 2 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.804 1.595 17774 48 1 2 . 1 1 4 4 VAL C C 18 170.200 170.200 174.693 -4.493 17774 49 1 2 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.039 -3.839 17774 50 1 2 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.458 -1.858 17774 51 1 2 . 1 1 5 5 PHE C C 19 170.800 170.800 173.697 -2.897 17774 52 1 2 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.670 -3.570 17774 53 1 2 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.648 -0.648 17774 54 1 2 . 1 1 7 7 ALA C C 21 171.800 171.800 174.693 -2.893 17774 55 1 2 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.385 -3.585 17774 56 1 2 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.145 -0.545 17774 57 1 2 . 1 1 8 8 GLU C C 22 170.700 170.700 175.403 -4.703 17774 58 1 2 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.870 -3.270 17774 59 1 2 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.224 3.176 17774 60 1 2 . 1 1 9 9 ASN C C 23 171.000 171.000 174.871 -3.871 17774 61 1 2 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.587 -2.987 17774 62 1 2 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.190 0.410 17774 63 1 2 . 1 1 14 14 LYS C C 28 173.300 173.300 175.339 -2.039 17774 64 1 2 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.661 -3.161 17774 65 1 2 . 1 1 14 14 LYS CB C 28 29.800 29.800 30.843 -1.044 17774 66 1 2 . 1 1 16 16 ALA C C 30 172.600 172.600 177.297 -4.697 17774 67 1 2 . 1 1 16 16 ALA CA C 30 48.400 48.400 53.164 -4.764 17774 68 1 2 . 1 1 16 16 ALA CB C 30 20.100 20.100 18.988 1.112 17774 69 1 2 . 1 1 17 17 ILE C C 31 171.500 171.500 174.446 -2.946 17774 70 1 2 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.504 -3.204 17774 71 1 2 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.742 -0.742 17774 72 1 2 . 1 1 18 18 ILE C C 32 171.700 171.700 174.133 -2.433 17774 73 1 2 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.785 -4.385 17774 74 1 2 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.645 -1.445 17774 75 1 2 . 1 1 20 20 LEU C C 34 171.200 171.200 175.338 -4.138 17774 76 1 2 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.350 -2.251 17774 77 1 2 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.700 -1.000 17774 78 1 2 . 1 1 21 21 MET C C 35 171.300 171.300 175.846 -4.546 17774 79 1 2 . 1 1 21 21 MET CA C 35 52.000 52.000 54.613 -2.613 17774 80 1 2 . 1 1 21 21 MET CB C 35 33.800 33.800 34.937 -1.137 17774 81 1 2 . 1 1 22 22 VAL C C 36 171.500 171.500 176.139 -4.639 17774 82 1 2 . 1 1 22 22 VAL CA C 36 57.500 57.500 63.183 -5.683 17774 83 1 2 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.991 0.210 17774 84 1 2 . 1 1 24 24 GLY C C 38 168.000 168.000 173.603 -5.603 17774 85 1 2 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.397 -1.597 17774 86 1 2 . 1 1 25 25 VAL C C 39 172.100 172.100 175.572 -3.472 17774 87 1 2 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.050 -3.350 17774 88 1 2 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.922 -1.722 17774 89 1 3 . 1 1 2 2 LYS C C 16 170.700 170.700 175.022 -4.322 17774 90 1 3 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.347 -3.647 17774 91 1 3 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.977 1.423 17774 92 1 3 . 1 1 4 4 VAL C C 18 170.200 170.200 174.542 -4.342 17774 93 1 3 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.802 -3.602 17774 94 1 3 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.647 -2.047 17774 95 1 3 . 1 1 5 5 PHE C C 19 170.800 170.800 173.741 -2.941 17774 96 1 3 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.679 -3.579 17774 97 1 3 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.139 -0.139 17774 98 1 3 . 1 1 7 7 ALA C C 21 171.800 171.800 174.974 -3.174 17774 99 1 3 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.532 -3.732 17774 100 1 3 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.032 -0.432 17774 101 1 3 . 1 1 8 8 GLU C C 22 170.700 170.700 175.506 -4.806 17774 102 1 3 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.998 -3.398 17774 103 1 3 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.616 2.784 17774 104 1 3 . 1 1 9 9 ASN C C 23 171.000 171.000 175.730 -4.730 17774 105 1 3 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.565 -2.965 17774 106 1 3 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.460 0.140 17774 107 1 3 . 1 1 14 14 LYS C C 28 173.300 173.300 175.058 -1.758 17774 108 1 3 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.968 -3.468 17774 109 1 3 . 1 1 14 14 LYS CB C 28 29.800 29.800 31.666 -1.866 17774 110 1 3 . 1 1 16 16 ALA C C 30 172.600 172.600 176.003 -3.403 17774 111 1 3 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.644 -4.244 17774 112 1 3 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.357 0.744 17774 113 1 3 . 1 1 17 17 ILE C C 31 171.500 171.500 175.192 -3.692 17774 114 1 3 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.832 -3.532 17774 115 1 3 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.269 -0.269 17774 116 1 3 . 1 1 18 18 ILE C C 32 171.700 171.700 174.352 -2.652 17774 117 1 3 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.964 -4.564 17774 118 1 3 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.930 -1.730 17774 119 1 3 . 1 1 20 20 LEU C C 34 171.200 171.200 174.807 -3.607 17774 120 1 3 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.981 -2.881 17774 121 1 3 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.327 -0.627 17774 122 1 3 . 1 1 21 21 MET C C 35 171.300 171.300 175.295 -3.995 17774 123 1 3 . 1 1 21 21 MET CA C 35 52.000 52.000 54.928 -2.928 17774 124 1 3 . 1 1 21 21 MET CB C 35 33.800 33.800 34.742 -0.942 17774 125 1 3 . 1 1 22 22 VAL C C 36 171.500 171.500 176.589 -5.089 17774 126 1 3 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.233 -4.733 17774 127 1 3 . 1 1 22 22 VAL CB C 36 32.200 32.200 32.091 0.109 17774 128 1 3 . 1 1 24 24 GLY C C 38 168.000 168.000 173.997 -5.997 17774 129 1 3 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.487 -1.687 17774 130 1 3 . 1 1 25 25 VAL C C 39 172.100 172.100 175.037 -2.937 17774 131 1 3 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.836 -4.136 17774 132 1 3 . 1 1 25 25 VAL CB C 39 31.200 31.200 33.033 -1.833 17774 133 1 4 . 1 1 2 2 LYS C C 16 170.700 170.700 175.008 -4.308 17774 134 1 4 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.410 -3.710 17774 135 1 4 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.915 1.485 17774 136 1 4 . 1 1 4 4 VAL C C 18 170.200 170.200 174.451 -4.251 17774 137 1 4 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.797 -3.597 17774 138 1 4 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.798 -2.198 17774 139 1 4 . 1 1 5 5 PHE C C 19 170.800 170.800 173.573 -2.773 17774 140 1 4 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.861 -3.761 17774 141 1 4 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.322 -0.322 17774 142 1 4 . 1 1 7 7 ALA C C 21 171.800 171.800 174.873 -3.073 17774 143 1 4 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.608 -3.808 17774 144 1 4 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.271 -0.671 17774 145 1 4 . 1 1 8 8 GLU C C 22 170.700 170.700 175.491 -4.791 17774 146 1 4 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.936 -3.336 17774 147 1 4 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.438 2.962 17774 148 1 4 . 1 1 9 9 ASN C C 23 171.000 171.000 176.329 -5.329 17774 149 1 4 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.407 -2.807 17774 150 1 4 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.143 0.457 17774 151 1 4 . 1 1 14 14 LYS C C 28 173.300 173.300 176.451 -3.151 17774 152 1 4 . 1 1 14 14 LYS CA C 28 53.500 53.500 55.178 -1.678 17774 153 1 4 . 1 1 14 14 LYS CB C 28 29.800 29.800 33.909 -4.109 17774 154 1 4 . 1 1 16 16 ALA C C 30 172.600 172.600 175.933 -3.333 17774 155 1 4 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.555 -4.155 17774 156 1 4 . 1 1 16 16 ALA CB C 30 20.100 20.100 18.046 2.054 17774 157 1 4 . 1 1 17 17 ILE C C 31 171.500 171.500 174.555 -3.055 17774 158 1 4 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.801 -3.501 17774 159 1 4 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.115 -0.115 17774 160 1 4 . 1 1 18 18 ILE C C 32 171.700 171.700 174.328 -2.628 17774 161 1 4 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.769 -4.369 17774 162 1 4 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.646 -1.446 17774 163 1 4 . 1 1 20 20 LEU C C 34 171.200 171.200 175.083 -3.883 17774 164 1 4 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.901 -2.801 17774 165 1 4 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.198 -0.498 17774 166 1 4 . 1 1 21 21 MET C C 35 171.300 171.300 176.437 -5.137 17774 167 1 4 . 1 1 21 21 MET CA C 35 52.000 52.000 54.733 -2.733 17774 168 1 4 . 1 1 21 21 MET CB C 35 33.800 33.800 34.995 -1.195 17774 169 1 4 . 1 1 22 22 VAL C C 36 171.500 171.500 177.186 -5.686 17774 170 1 4 . 1 1 22 22 VAL CA C 36 57.500 57.500 63.515 -6.015 17774 171 1 4 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.708 0.492 17774 172 1 4 . 1 1 24 24 GLY C C 38 168.000 168.000 173.679 -5.679 17774 173 1 4 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.415 -1.615 17774 174 1 4 . 1 1 25 25 VAL C C 39 172.100 172.100 176.674 -4.574 17774 175 1 4 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.836 -4.136 17774 176 1 4 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.030 -0.830 17774 177 1 5 . 1 1 2 2 LYS C C 16 170.700 170.700 175.163 -4.463 17774 178 1 5 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.127 -3.427 17774 179 1 5 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.853 1.547 17774 180 1 5 . 1 1 4 4 VAL C C 18 170.200 170.200 174.205 -4.005 17774 181 1 5 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.978 -3.778 17774 182 1 5 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.731 -2.131 17774 183 1 5 . 1 1 5 5 PHE C C 19 170.800 170.800 173.004 -2.204 17774 184 1 5 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.345 -3.245 17774 185 1 5 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.319 -0.319 17774 186 1 5 . 1 1 7 7 ALA C C 21 171.800 171.800 175.847 -4.047 17774 187 1 5 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.774 -3.974 17774 188 1 5 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.005 -0.405 17774 189 1 5 . 1 1 8 8 GLU C C 22 170.700 170.700 175.108 -4.408 17774 190 1 5 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.378 -3.778 17774 191 1 5 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.623 2.777 17774 192 1 5 . 1 1 9 9 ASN C C 23 171.000 171.000 174.438 -3.438 17774 193 1 5 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.715 -3.115 17774 194 1 5 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.441 0.159 17774 195 1 5 . 1 1 14 14 LYS C C 28 173.300 173.300 176.424 -3.124 17774 196 1 5 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.570 -3.070 17774 197 1 5 . 1 1 14 14 LYS CB C 28 29.800 29.800 31.766 -1.966 17774 198 1 5 . 1 1 16 16 ALA C C 30 172.600 172.600 177.157 -4.557 17774 199 1 5 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.218 -3.818 17774 200 1 5 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.769 0.331 17774 201 1 5 . 1 1 17 17 ILE C C 31 171.500 171.500 175.205 -3.705 17774 202 1 5 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.991 -3.691 17774 203 1 5 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.613 -1.613 17774 204 1 5 . 1 1 18 18 ILE C C 32 171.700 171.700 174.321 -2.621 17774 205 1 5 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.987 -4.588 17774 206 1 5 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.946 -1.746 17774 207 1 5 . 1 1 20 20 LEU C C 34 171.200 171.200 175.259 -4.059 17774 208 1 5 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.334 -2.234 17774 209 1 5 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.706 -1.006 17774 210 1 5 . 1 1 21 21 MET C C 35 171.300 171.300 176.029 -4.729 17774 211 1 5 . 1 1 21 21 MET CA C 35 52.000 52.000 54.564 -2.564 17774 212 1 5 . 1 1 21 21 MET CB C 35 33.800 33.800 34.736 -0.936 17774 213 1 5 . 1 1 22 22 VAL C C 36 171.500 171.500 176.727 -5.227 17774 214 1 5 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.986 -5.486 17774 215 1 5 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.587 0.613 17774 216 1 5 . 1 1 24 24 GLY C C 38 168.000 168.000 174.466 -6.466 17774 217 1 5 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.356 -1.556 17774 218 1 5 . 1 1 25 25 VAL C C 39 172.100 172.100 175.629 -3.529 17774 219 1 5 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.722 -4.022 17774 220 1 5 . 1 1 25 25 VAL CB C 39 31.200 31.200 30.750 0.450 17774 221 1 6 . 1 1 2 2 LYS C C 16 170.700 170.700 175.308 -4.608 17774 222 1 6 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.347 -3.647 17774 223 1 6 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.184 1.216 17774 224 1 6 . 1 1 4 4 VAL C C 18 170.200 170.200 174.733 -4.533 17774 225 1 6 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.130 -3.930 17774 226 1 6 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.442 -1.842 17774 227 1 6 . 1 1 5 5 PHE C C 19 170.800 170.800 173.558 -2.758 17774 228 1 6 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.590 -3.490 17774 229 1 6 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.616 -0.616 17774 230 1 6 . 1 1 7 7 ALA C C 21 171.800 171.800 174.809 -3.009 17774 231 1 6 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.418 -3.618 17774 232 1 6 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.331 -0.730 17774 233 1 6 . 1 1 8 8 GLU C C 22 170.700 170.700 175.392 -4.692 17774 234 1 6 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.971 -3.371 17774 235 1 6 . 1 1 8 8 GLU CB C 22 34.400 34.400 30.956 3.443 17774 236 1 6 . 1 1 9 9 ASN C C 23 171.000 171.000 175.364 -4.364 17774 237 1 6 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.492 -2.892 17774 238 1 6 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.756 -0.156 17774 239 1 6 . 1 1 14 14 LYS C C 28 173.300 173.300 177.009 -3.709 17774 240 1 6 . 1 1 14 14 LYS CA C 28 53.500 53.500 58.086 -4.586 17774 241 1 6 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.773 -2.973 17774 242 1 6 . 1 1 16 16 ALA C C 30 172.600 172.600 175.720 -3.120 17774 243 1 6 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.688 -3.288 17774 244 1 6 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.883 -0.782 17774 245 1 6 . 1 1 17 17 ILE C C 31 171.500 171.500 173.940 -2.440 17774 246 1 6 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.048 -2.748 17774 247 1 6 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.090 -1.090 17774 248 1 6 . 1 1 18 18 ILE C C 32 171.700 171.700 174.072 -2.372 17774 249 1 6 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.788 -4.388 17774 250 1 6 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.616 -1.416 17774 251 1 6 . 1 1 20 20 LEU C C 34 171.200 171.200 175.601 -4.401 17774 252 1 6 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.063 -2.963 17774 253 1 6 . 1 1 20 20 LEU CB C 34 43.700 43.700 43.870 -0.170 17774 254 1 6 . 1 1 21 21 MET C C 35 171.300 171.300 176.049 -4.749 17774 255 1 6 . 1 1 21 21 MET CA C 35 52.000 52.000 54.897 -2.897 17774 256 1 6 . 1 1 21 21 MET CB C 35 33.800 33.800 35.787 -1.987 17774 257 1 6 . 1 1 22 22 VAL C C 36 171.500 171.500 177.231 -5.731 17774 258 1 6 . 1 1 22 22 VAL CA C 36 57.500 57.500 63.455 -5.955 17774 259 1 6 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.855 0.345 17774 260 1 6 . 1 1 24 24 GLY C C 38 168.000 168.000 173.833 -5.833 17774 261 1 6 . 1 1 24 24 GLY CA C 38 42.800 42.800 45.453 -2.653 17774 262 1 6 . 1 1 25 25 VAL C C 39 172.100 172.100 175.272 -3.172 17774 263 1 6 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.154 -3.454 17774 264 1 6 . 1 1 25 25 VAL CB C 39 31.200 31.200 31.955 -0.755 17774 265 1 7 . 1 1 2 2 LYS C C 16 170.700 170.700 175.171 -4.471 17774 266 1 7 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.178 -3.478 17774 267 1 7 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.744 1.656 17774 268 1 7 . 1 1 4 4 VAL C C 18 170.200 170.200 174.262 -4.062 17774 269 1 7 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.716 -3.516 17774 270 1 7 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.997 -2.397 17774 271 1 7 . 1 1 5 5 PHE C C 19 170.800 170.800 173.121 -2.321 17774 272 1 7 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.655 -3.555 17774 273 1 7 . 1 1 5 5 PHE CB C 19 41.000 41.000 40.946 0.054 17774 274 1 7 . 1 1 7 7 ALA C C 21 171.800 171.800 176.296 -4.496 17774 275 1 7 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.991 -4.191 17774 276 1 7 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.809 -0.209 17774 277 1 7 . 1 1 8 8 GLU C C 22 170.700 170.700 174.953 -4.253 17774 278 1 7 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.617 -3.018 17774 279 1 7 . 1 1 8 8 GLU CB C 22 34.400 34.400 32.419 1.981 17774 280 1 7 . 1 1 9 9 ASN C C 23 171.000 171.000 174.149 -3.149 17774 281 1 7 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.603 -3.003 17774 282 1 7 . 1 1 9 9 ASN CB C 23 39.600 39.600 40.440 -0.840 17774 283 1 7 . 1 1 14 14 LYS C C 28 173.300 173.300 176.850 -3.550 17774 284 1 7 . 1 1 14 14 LYS CA C 28 53.500 53.500 58.495 -4.995 17774 285 1 7 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.306 -2.506 17774 286 1 7 . 1 1 16 16 ALA C C 30 172.600 172.600 176.116 -3.516 17774 287 1 7 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.717 -4.316 17774 288 1 7 . 1 1 16 16 ALA CB C 30 20.100 20.100 18.829 1.271 17774 289 1 7 . 1 1 17 17 ILE C C 31 171.500 171.500 174.990 -3.490 17774 290 1 7 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.812 -3.512 17774 291 1 7 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.284 -0.284 17774 292 1 7 . 1 1 18 18 ILE C C 32 171.700 171.700 174.281 -2.581 17774 293 1 7 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.931 -4.531 17774 294 1 7 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.867 -1.667 17774 295 1 7 . 1 1 20 20 LEU C C 34 171.200 171.200 175.125 -3.925 17774 296 1 7 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.187 -3.087 17774 297 1 7 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.017 -0.317 17774 298 1 7 . 1 1 21 21 MET C C 35 171.300 171.300 175.979 -4.679 17774 299 1 7 . 1 1 21 21 MET CA C 35 52.000 52.000 55.105 -3.105 17774 300 1 7 . 1 1 21 21 MET CB C 35 33.800 33.800 35.532 -1.732 17774 301 1 7 . 1 1 22 22 VAL C C 36 171.500 171.500 176.043 -4.543 17774 302 1 7 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.179 -4.679 17774 303 1 7 . 1 1 22 22 VAL CB C 36 32.200 32.200 30.084 2.116 17774 304 1 7 . 1 1 24 24 GLY C C 38 168.000 168.000 174.834 -6.834 17774 305 1 7 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.651 -1.851 17774 306 1 7 . 1 1 25 25 VAL C C 39 172.100 172.100 175.716 -3.616 17774 307 1 7 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.710 -4.010 17774 308 1 7 . 1 1 25 25 VAL CB C 39 31.200 31.200 30.884 0.316 17774 309 1 8 . 1 1 2 2 LYS C C 16 170.700 170.700 175.362 -4.662 17774 310 1 8 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.197 -3.498 17774 311 1 8 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.281 1.119 17774 312 1 8 . 1 1 4 4 VAL C C 18 170.200 170.200 174.511 -4.311 17774 313 1 8 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.847 -3.647 17774 314 1 8 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.845 -2.245 17774 315 1 8 . 1 1 5 5 PHE C C 19 170.800 170.800 173.837 -3.037 17774 316 1 8 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.759 -3.659 17774 317 1 8 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.078 -0.078 17774 318 1 8 . 1 1 7 7 ALA C C 21 171.800 171.800 174.732 -2.932 17774 319 1 8 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.324 -3.524 17774 320 1 8 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.925 -0.325 17774 321 1 8 . 1 1 8 8 GLU C C 22 170.700 170.700 175.499 -4.799 17774 322 1 8 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.352 -2.752 17774 323 1 8 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.306 3.094 17774 324 1 8 . 1 1 9 9 ASN C C 23 171.000 171.000 174.621 -3.621 17774 325 1 8 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.471 -2.871 17774 326 1 8 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.374 0.226 17774 327 1 8 . 1 1 14 14 LYS C C 28 173.300 173.300 177.200 -3.900 17774 328 1 8 . 1 1 14 14 LYS CA C 28 53.500 53.500 55.996 -2.496 17774 329 1 8 . 1 1 14 14 LYS CB C 28 29.800 29.800 33.843 -4.043 17774 330 1 8 . 1 1 16 16 ALA C C 30 172.600 172.600 175.442 -2.842 17774 331 1 8 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.320 -3.920 17774 332 1 8 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.392 -0.292 17774 333 1 8 . 1 1 17 17 ILE C C 31 171.500 171.500 174.058 -2.558 17774 334 1 8 . 1 1 17 17 ILE CA C 31 57.300 57.300 59.944 -2.643 17774 335 1 8 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.167 -1.167 17774 336 1 8 . 1 1 18 18 ILE C C 32 171.700 171.700 174.107 -2.407 17774 337 1 8 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.824 -4.424 17774 338 1 8 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.543 -1.343 17774 339 1 8 . 1 1 20 20 LEU C C 34 171.200 171.200 174.916 -3.716 17774 340 1 8 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.997 -2.897 17774 341 1 8 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.101 -0.401 17774 342 1 8 . 1 1 21 21 MET C C 35 171.300 171.300 175.942 -4.642 17774 343 1 8 . 1 1 21 21 MET CA C 35 52.000 52.000 54.872 -2.872 17774 344 1 8 . 1 1 21 21 MET CB C 35 33.800 33.800 35.032 -1.232 17774 345 1 8 . 1 1 22 22 VAL C C 36 171.500 171.500 176.928 -5.428 17774 346 1 8 . 1 1 22 22 VAL CA C 36 57.500 57.500 63.304 -5.804 17774 347 1 8 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.878 0.322 17774 348 1 8 . 1 1 24 24 GLY C C 38 168.000 168.000 173.584 -5.584 17774 349 1 8 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.609 -1.809 17774 350 1 8 . 1 1 25 25 VAL C C 39 172.100 172.100 175.680 -3.580 17774 351 1 8 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.233 -3.533 17774 352 1 8 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.373 -1.173 17774 353 1 9 . 1 1 2 2 LYS C C 16 170.700 170.700 175.125 -4.425 17774 354 1 9 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.394 -3.694 17774 355 1 9 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.956 1.444 17774 356 1 9 . 1 1 4 4 VAL C C 18 170.200 170.200 174.484 -4.284 17774 357 1 9 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.109 -3.909 17774 358 1 9 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.598 -1.998 17774 359 1 9 . 1 1 5 5 PHE C C 19 170.800 170.800 173.883 -3.083 17774 360 1 9 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.803 -3.703 17774 361 1 9 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.609 -0.609 17774 362 1 9 . 1 1 7 7 ALA C C 21 171.800 171.800 174.483 -2.683 17774 363 1 9 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.312 -3.512 17774 364 1 9 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.047 -0.448 17774 365 1 9 . 1 1 8 8 GLU C C 22 170.700 170.700 175.265 -4.565 17774 366 1 9 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.733 -3.133 17774 367 1 9 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.272 3.128 17774 368 1 9 . 1 1 9 9 ASN C C 23 171.000 171.000 175.310 -4.310 17774 369 1 9 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.269 -2.669 17774 370 1 9 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.758 -0.158 17774 371 1 9 . 1 1 14 14 LYS C C 28 173.300 173.300 176.250 -2.950 17774 372 1 9 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.604 -3.104 17774 373 1 9 . 1 1 14 14 LYS CB C 28 29.800 29.800 31.037 -1.236 17774 374 1 9 . 1 1 16 16 ALA C C 30 172.600 172.600 176.277 -3.677 17774 375 1 9 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.497 -3.097 17774 376 1 9 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.835 0.265 17774 377 1 9 . 1 1 17 17 ILE C C 31 171.500 171.500 175.217 -3.717 17774 378 1 9 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.995 -3.695 17774 379 1 9 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.185 -1.185 17774 380 1 9 . 1 1 18 18 ILE C C 32 171.700 171.700 174.363 -2.663 17774 381 1 9 . 1 1 18 18 ILE CA C 32 56.400 56.400 61.037 -4.637 17774 382 1 9 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.938 -1.738 17774 383 1 9 . 1 1 20 20 LEU C C 34 171.200 171.200 175.348 -4.148 17774 384 1 9 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.443 -2.343 17774 385 1 9 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.776 -1.076 17774 386 1 9 . 1 1 21 21 MET C C 35 171.300 171.300 176.274 -4.974 17774 387 1 9 . 1 1 21 21 MET CA C 35 52.000 52.000 54.556 -2.556 17774 388 1 9 . 1 1 21 21 MET CB C 35 33.800 33.800 34.954 -1.154 17774 389 1 9 . 1 1 22 22 VAL C C 36 171.500 171.500 176.717 -5.217 17774 390 1 9 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.992 -5.492 17774 391 1 9 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.595 0.605 17774 392 1 9 . 1 1 24 24 GLY C C 38 168.000 168.000 174.414 -6.414 17774 393 1 9 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.490 -1.690 17774 394 1 9 . 1 1 25 25 VAL C C 39 172.100 172.100 174.966 -2.866 17774 395 1 9 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.227 -3.527 17774 396 1 9 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.184 -0.984 17774 397 1 10 . 1 1 2 2 LYS C C 16 170.700 170.700 175.654 -4.954 17774 398 1 10 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.243 -3.543 17774 399 1 10 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.824 1.576 17774 400 1 10 . 1 1 4 4 VAL C C 18 170.200 170.200 174.511 -4.311 17774 401 1 10 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.058 -3.858 17774 402 1 10 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.625 -2.025 17774 403 1 10 . 1 1 5 5 PHE C C 19 170.800 170.800 173.566 -2.766 17774 404 1 10 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.853 -3.753 17774 405 1 10 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.646 -0.646 17774 406 1 10 . 1 1 7 7 ALA C C 21 171.800 171.800 175.624 -3.824 17774 407 1 10 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.765 -3.965 17774 408 1 10 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.689 -0.089 17774 409 1 10 . 1 1 8 8 GLU C C 22 170.700 170.700 175.171 -4.471 17774 410 1 10 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.729 -3.129 17774 411 1 10 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.727 2.674 17774 412 1 10 . 1 1 9 9 ASN C C 23 171.000 171.000 174.372 -3.372 17774 413 1 10 . 1 1 9 9 ASN CA C 23 49.600 49.600 53.164 -3.564 17774 414 1 10 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.264 0.336 17774 415 1 10 . 1 1 14 14 LYS C C 28 173.300 173.300 175.044 -1.744 17774 416 1 10 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.405 -2.905 17774 417 1 10 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.630 -2.830 17774 418 1 10 . 1 1 16 16 ALA C C 30 172.600 172.600 176.499 -3.899 17774 419 1 10 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.431 -4.031 17774 420 1 10 . 1 1 16 16 ALA CB C 30 20.100 20.100 17.962 2.138 17774 421 1 10 . 1 1 17 17 ILE C C 31 171.500 171.500 174.176 -2.676 17774 422 1 10 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.462 -3.162 17774 423 1 10 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.423 -0.423 17774 424 1 10 . 1 1 18 18 ILE C C 32 171.700 171.700 174.280 -2.580 17774 425 1 10 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.755 -4.355 17774 426 1 10 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.559 -1.359 17774 427 1 10 . 1 1 20 20 LEU C C 34 171.200 171.200 175.348 -4.148 17774 428 1 10 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.480 -2.380 17774 429 1 10 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.839 -1.139 17774 430 1 10 . 1 1 21 21 MET C C 35 171.300 171.300 175.859 -4.559 17774 431 1 10 . 1 1 21 21 MET CA C 35 52.000 52.000 54.865 -2.865 17774 432 1 10 . 1 1 21 21 MET CB C 35 33.800 33.800 35.455 -1.655 17774 433 1 10 . 1 1 22 22 VAL C C 36 171.500 171.500 177.039 -5.539 17774 434 1 10 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.884 -5.384 17774 435 1 10 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.773 0.427 17774 436 1 10 . 1 1 24 24 GLY C C 38 168.000 168.000 174.291 -6.291 17774 437 1 10 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.250 -1.450 17774 438 1 10 . 1 1 25 25 VAL C C 39 172.100 172.100 175.486 -3.386 17774 439 1 10 . 1 1 25 25 VAL CA C 39 58.700 58.700 61.510 -2.810 17774 440 1 10 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.728 -1.528 17774 441 1 11 . 1 1 2 2 LYS C C 16 170.700 170.700 174.925 -4.225 17774 442 1 11 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.130 -3.430 17774 443 1 11 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.224 1.176 17774 444 1 11 . 1 1 4 4 VAL C C 18 170.200 170.200 174.465 -4.265 17774 445 1 11 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.011 -3.811 17774 446 1 11 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.706 -2.106 17774 447 1 11 . 1 1 5 5 PHE C C 19 170.800 170.800 173.624 -2.824 17774 448 1 11 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.804 -3.704 17774 449 1 11 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.596 -0.596 17774 450 1 11 . 1 1 7 7 ALA C C 21 171.800 171.800 174.906 -3.106 17774 451 1 11 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.466 -3.666 17774 452 1 11 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.124 -0.524 17774 453 1 11 . 1 1 8 8 GLU C C 22 170.700 170.700 175.190 -4.490 17774 454 1 11 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.797 -3.197 17774 455 1 11 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.169 3.231 17774 456 1 11 . 1 1 9 9 ASN C C 23 171.000 171.000 174.085 -3.085 17774 457 1 11 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.868 -3.268 17774 458 1 11 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.552 0.048 17774 459 1 11 . 1 1 14 14 LYS C C 28 173.300 173.300 176.617 -3.317 17774 460 1 11 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.924 -3.424 17774 461 1 11 . 1 1 14 14 LYS CB C 28 29.800 29.800 33.133 -3.333 17774 462 1 11 . 1 1 16 16 ALA C C 30 172.600 172.600 176.323 -3.723 17774 463 1 11 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.049 -3.649 17774 464 1 11 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.229 -0.129 17774 465 1 11 . 1 1 17 17 ILE C C 31 171.500 171.500 174.752 -3.252 17774 466 1 11 . 1 1 17 17 ILE CA C 31 57.300 57.300 59.954 -2.654 17774 467 1 11 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.466 -1.466 17774 468 1 11 . 1 1 18 18 ILE C C 32 171.700 171.700 174.590 -2.890 17774 469 1 11 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.518 -4.118 17774 470 1 11 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.250 -1.050 17774 471 1 11 . 1 1 20 20 LEU C C 34 171.200 171.200 175.537 -4.337 17774 472 1 11 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.965 -2.865 17774 473 1 11 . 1 1 20 20 LEU CB C 34 43.700 43.700 43.906 -0.206 17774 474 1 11 . 1 1 21 21 MET C C 35 171.300 171.300 176.201 -4.901 17774 475 1 11 . 1 1 21 21 MET CA C 35 52.000 52.000 54.908 -2.908 17774 476 1 11 . 1 1 21 21 MET CB C 35 33.800 33.800 34.895 -1.095 17774 477 1 11 . 1 1 22 22 VAL C C 36 171.500 171.500 176.951 -5.451 17774 478 1 11 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.125 -4.625 17774 479 1 11 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.791 0.409 17774 480 1 11 . 1 1 24 24 GLY C C 38 168.000 168.000 173.340 -5.340 17774 481 1 11 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.111 -1.312 17774 482 1 11 . 1 1 25 25 VAL C C 39 172.100 172.100 175.881 -3.781 17774 483 1 11 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.401 -3.701 17774 484 1 11 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.068 -0.868 17774 485 1 12 . 1 1 2 2 LYS C C 16 170.700 170.700 175.291 -4.591 17774 486 1 12 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.096 -3.396 17774 487 1 12 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.628 1.772 17774 488 1 12 . 1 1 4 4 VAL C C 18 170.200 170.200 174.494 -4.294 17774 489 1 12 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.023 -3.823 17774 490 1 12 . 1 1 4 4 VAL CB C 18 32.600 32.600 35.090 -2.490 17774 491 1 12 . 1 1 5 5 PHE C C 19 170.800 170.800 173.684 -2.884 17774 492 1 12 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.638 -3.538 17774 493 1 12 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.025 -0.025 17774 494 1 12 . 1 1 7 7 ALA C C 21 171.800 171.800 174.767 -2.967 17774 495 1 12 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.469 -3.669 17774 496 1 12 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.144 -0.544 17774 497 1 12 . 1 1 8 8 GLU C C 22 170.700 170.700 175.245 -4.545 17774 498 1 12 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.124 -3.524 17774 499 1 12 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.521 2.878 17774 500 1 12 . 1 1 9 9 ASN C C 23 171.000 171.000 176.026 -5.026 17774 501 1 12 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.689 -3.089 17774 502 1 12 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.224 0.376 17774 503 1 12 . 1 1 14 14 LYS C C 28 173.300 173.300 175.292 -1.992 17774 504 1 12 . 1 1 14 14 LYS CA C 28 53.500 53.500 55.684 -2.183 17774 505 1 12 . 1 1 14 14 LYS CB C 28 29.800 29.800 34.302 -4.502 17774 506 1 12 . 1 1 16 16 ALA C C 30 172.600 172.600 176.830 -4.230 17774 507 1 12 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.857 -3.457 17774 508 1 12 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.536 0.564 17774 509 1 12 . 1 1 17 17 ILE C C 31 171.500 171.500 175.356 -3.856 17774 510 1 12 . 1 1 17 17 ILE CA C 31 57.300 57.300 61.089 -3.789 17774 511 1 12 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.635 -1.635 17774 512 1 12 . 1 1 18 18 ILE C C 32 171.700 171.700 174.304 -2.604 17774 513 1 12 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.983 -4.583 17774 514 1 12 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.918 -1.718 17774 515 1 12 . 1 1 20 20 LEU C C 34 171.200 171.200 175.328 -4.128 17774 516 1 12 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.347 -2.247 17774 517 1 12 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.716 -1.016 17774 518 1 12 . 1 1 21 21 MET C C 35 171.300 171.300 175.784 -4.484 17774 519 1 12 . 1 1 21 21 MET CA C 35 52.000 52.000 54.499 -2.499 17774 520 1 12 . 1 1 21 21 MET CB C 35 33.800 33.800 35.144 -1.344 17774 521 1 12 . 1 1 22 22 VAL C C 36 171.500 171.500 177.296 -5.796 17774 522 1 12 . 1 1 22 22 VAL CA C 36 57.500 57.500 63.502 -6.002 17774 523 1 12 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.697 0.503 17774 524 1 12 . 1 1 24 24 GLY C C 38 168.000 168.000 173.881 -5.881 17774 525 1 12 . 1 1 24 24 GLY CA C 38 42.800 42.800 45.487 -2.687 17774 526 1 12 . 1 1 25 25 VAL C C 39 172.100 172.100 174.555 -2.455 17774 527 1 12 . 1 1 25 25 VAL CA C 39 58.700 58.700 61.389 -2.689 17774 528 1 12 . 1 1 25 25 VAL CB C 39 31.200 31.200 34.386 -3.186 17774 529 1 13 . 1 1 2 2 LYS C C 16 170.700 170.700 175.034 -4.334 17774 530 1 13 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.516 -3.816 17774 531 1 13 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.178 1.222 17774 532 1 13 . 1 1 4 4 VAL C C 18 170.200 170.200 174.483 -4.283 17774 533 1 13 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.859 -3.659 17774 534 1 13 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.871 -2.271 17774 535 1 13 . 1 1 5 5 PHE C C 19 170.800 170.800 173.494 -2.694 17774 536 1 13 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.915 -3.815 17774 537 1 13 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.204 -0.204 17774 538 1 13 . 1 1 7 7 ALA C C 21 171.800 171.800 175.234 -3.434 17774 539 1 13 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.532 -3.732 17774 540 1 13 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.114 -0.514 17774 541 1 13 . 1 1 8 8 GLU C C 22 170.700 170.700 174.959 -4.259 17774 542 1 13 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.056 -3.456 17774 543 1 13 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.781 2.619 17774 544 1 13 . 1 1 9 9 ASN C C 23 171.000 171.000 175.382 -4.382 17774 545 1 13 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.539 -2.939 17774 546 1 13 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.560 0.040 17774 547 1 13 . 1 1 14 14 LYS C C 28 173.300 173.300 175.621 -2.321 17774 548 1 13 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.673 -3.173 17774 549 1 13 . 1 1 14 14 LYS CB C 28 29.800 29.800 31.172 -1.372 17774 550 1 13 . 1 1 16 16 ALA C C 30 172.600 172.600 176.662 -4.062 17774 551 1 13 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.785 -4.385 17774 552 1 13 . 1 1 16 16 ALA CB C 30 20.100 20.100 17.872 2.228 17774 553 1 13 . 1 1 17 17 ILE C C 31 171.500 171.500 174.432 -2.932 17774 554 1 13 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.408 -3.108 17774 555 1 13 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.686 -0.686 17774 556 1 13 . 1 1 18 18 ILE C C 32 171.700 171.700 174.395 -2.695 17774 557 1 13 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.919 -4.519 17774 558 1 13 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.561 -1.361 17774 559 1 13 . 1 1 20 20 LEU C C 34 171.200 171.200 175.305 -4.105 17774 560 1 13 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.804 -2.704 17774 561 1 13 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.105 -0.405 17774 562 1 13 . 1 1 21 21 MET C C 35 171.300 171.300 176.156 -4.856 17774 563 1 13 . 1 1 21 21 MET CA C 35 52.000 52.000 54.687 -2.687 17774 564 1 13 . 1 1 21 21 MET CB C 35 33.800 33.800 34.276 -0.476 17774 565 1 13 . 1 1 22 22 VAL C C 36 171.500 171.500 177.238 -5.738 17774 566 1 13 . 1 1 22 22 VAL CA C 36 57.500 57.500 63.171 -5.671 17774 567 1 13 . 1 1 22 22 VAL CB C 36 32.200 32.200 32.088 0.112 17774 568 1 13 . 1 1 24 24 GLY C C 38 168.000 168.000 174.411 -6.411 17774 569 1 13 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.832 -2.032 17774 570 1 13 . 1 1 25 25 VAL C C 39 172.100 172.100 175.446 -3.346 17774 571 1 13 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.282 -3.582 17774 572 1 13 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.320 -1.120 17774 573 1 14 . 1 1 2 2 LYS C C 16 170.700 170.700 175.515 -4.815 17774 574 1 14 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.095 -3.395 17774 575 1 14 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.815 1.585 17774 576 1 14 . 1 1 4 4 VAL C C 18 170.200 170.200 174.430 -4.230 17774 577 1 14 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.064 -3.864 17774 578 1 14 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.836 -2.236 17774 579 1 14 . 1 1 5 5 PHE C C 19 170.800 170.800 173.529 -2.729 17774 580 1 14 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.785 -3.685 17774 581 1 14 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.569 -0.570 17774 582 1 14 . 1 1 7 7 ALA C C 21 171.800 171.800 175.184 -3.384 17774 583 1 14 . 1 1 7 7 ALA CA C 21 47.800 47.800 52.079 -4.279 17774 584 1 14 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.812 -0.212 17774 585 1 14 . 1 1 8 8 GLU C C 22 170.700 170.700 175.114 -4.414 17774 586 1 14 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.123 -3.523 17774 587 1 14 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.440 2.960 17774 588 1 14 . 1 1 9 9 ASN C C 23 171.000 171.000 173.985 -2.985 17774 589 1 14 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.995 -3.394 17774 590 1 14 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.034 0.566 17774 591 1 14 . 1 1 14 14 LYS C C 28 173.300 173.300 175.487 -2.187 17774 592 1 14 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.245 -2.745 17774 593 1 14 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.044 -2.244 17774 594 1 14 . 1 1 16 16 ALA C C 30 172.600 172.600 176.251 -3.651 17774 595 1 14 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.826 -4.426 17774 596 1 14 . 1 1 16 16 ALA CB C 30 20.100 20.100 18.431 1.669 17774 597 1 14 . 1 1 17 17 ILE C C 31 171.500 171.500 175.121 -3.621 17774 598 1 14 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.756 -3.456 17774 599 1 14 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.522 -0.522 17774 600 1 14 . 1 1 18 18 ILE C C 32 171.700 171.700 174.212 -2.512 17774 601 1 14 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.807 -4.407 17774 602 1 14 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.669 -1.469 17774 603 1 14 . 1 1 20 20 LEU C C 34 171.200 171.200 175.099 -3.899 17774 604 1 14 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.359 -3.259 17774 605 1 14 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.180 -0.480 17774 606 1 14 . 1 1 21 21 MET C C 35 171.300 171.300 175.311 -4.011 17774 607 1 14 . 1 1 21 21 MET CA C 35 52.000 52.000 54.764 -2.764 17774 608 1 14 . 1 1 21 21 MET CB C 35 33.800 33.800 34.463 -0.663 17774 609 1 14 . 1 1 22 22 VAL C C 36 171.500 171.500 176.913 -5.413 17774 610 1 14 . 1 1 22 22 VAL CA C 36 57.500 57.500 61.345 -3.845 17774 611 1 14 . 1 1 22 22 VAL CB C 36 32.200 32.200 32.729 -0.529 17774 612 1 14 . 1 1 24 24 GLY C C 38 168.000 168.000 173.411 -5.411 17774 613 1 14 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.578 -1.778 17774 614 1 14 . 1 1 25 25 VAL C C 39 172.100 172.100 174.430 -2.330 17774 615 1 14 . 1 1 25 25 VAL CA C 39 58.700 58.700 61.661 -2.961 17774 616 1 14 . 1 1 25 25 VAL CB C 39 31.200 31.200 33.582 -2.382 17774 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 0 0.000 0.000 0.000 17774 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 17774 3 1 1 "Average Difference" C 15 4.059 3.934 1.037 17774 4 1 1 "Average Difference" CA 15 3.511 3.396 0.921 17774 5 1 1 "Average Difference" CB 14 1.612 0.436 1.611 17774 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 17774 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17774 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 17774 9 1 2 "Average Difference" C 15 3.976 3.853 1.018 17774 10 1 2 "Average Difference" CA 15 3.589 3.458 0.992 17774 11 1 2 "Average Difference" CB 14 1.395 0.260 1.422 17774 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 17774 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17774 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 17774 15 1 3 "Average Difference" C 15 3.971 3.830 1.086 17774 16 1 3 "Average Difference" CA 15 3.614 3.540 0.755 17774 17 1 3 "Average Difference" CB 14 1.361 0.335 1.369 17774 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 17774 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17774 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 17774 21 1 4 "Average Difference" C 15 4.238 4.110 1.068 17774 22 1 4 "Average Difference" CA 15 3.624 3.468 1.088 17774 23 1 4 "Average Difference" CB 14 1.740 0.281 1.782 17774 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 17774 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17774 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 17774 27 1 5 "Average Difference" C 15 4.163 4.039 1.046 17774 28 1 5 "Average Difference" CA 15 3.608 3.490 0.948 17774 29 1 5 "Average Difference" CB 14 1.389 0.303 1.407 17774 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 17774 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17774 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 17774 33 1 6 "Average Difference" C 15 4.110 3.966 1.117 17774 34 1 6 "Average Difference" CA 15 3.688 3.592 0.864 17774 35 1 6 "Average Difference" CB 14 1.581 0.537 1.543 17774 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 17774 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17774 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 17774 39 1 7 "Average Difference" C 15 4.096 3.966 1.059 17774 40 1 7 "Average Difference" CA 15 3.740 3.657 0.813 17774 41 1 7 "Average Difference" CB 14 1.502 0.183 1.547 17774 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 17774 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17774 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 17774 45 1 8 "Average Difference" C 15 3.989 3.868 1.011 17774 46 1 8 "Average Difference" CA 15 3.477 3.357 0.941 17774 47 1 8 "Average Difference" CB 14 1.664 0.539 1.634 17774 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 17774 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17774 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 17774 51 1 9 "Average Difference" C 15 4.129 3.998 1.065 17774 52 1 9 "Average Difference" CA 15 3.500 3.384 0.926 17774 53 1 9 "Average Difference" CB 14 1.371 0.367 1.370 17774 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 17774 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17774 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 17774 57 1 10 "Average Difference" C 15 4.070 3.901 1.202 17774 58 1 10 "Average Difference" CA 15 3.524 3.410 0.918 17774 59 1 10 "Average Difference" CB 14 1.591 0.325 1.616 17774 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 17774 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17774 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 17774 63 1 11 "Average Difference" C 15 4.021 3.932 0.867 17774 64 1 11 "Average Difference" CA 15 3.434 3.355 0.755 17774 65 1 11 "Average Difference" CB 14 1.545 0.465 1.529 17774 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 17774 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17774 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 17774 69 1 12 "Average Difference" C 15 4.143 3.982 1.182 17774 70 1 12 "Average Difference" CA 15 3.540 3.412 0.976 17774 71 1 12 "Average Difference" CB 14 2.027 0.740 1.958 17774 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 17774 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17774 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 17774 75 1 13 "Average Difference" C 15 4.139 3.990 1.137 17774 76 1 13 "Average Difference" CA 15 3.652 3.552 0.879 17774 77 1 13 "Average Difference" CB 14 1.327 0.156 1.367 17774 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 17774 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17774 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 17774 81 1 14 "Average Difference" C 15 3.840 3.706 1.041 17774 82 1 14 "Average Difference" CA 15 3.519 3.452 0.707 17774 83 1 14 "Average Difference" CB 14 1.555 0.323 1.578 17774 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 17774 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 17774 _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 LYS C C 16 170.700 170.700 175.213 -4.513 17774 2 1 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.254 -3.554 17774 3 1 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.924 1.476 17774 4 1 . 1 1 4 4 VAL C C 18 170.200 170.200 174.500 -4.300 17774 5 1 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.980 -3.780 17774 6 1 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.725 -2.125 17774 7 1 . 1 1 5 5 PHE C C 19 170.800 170.800 173.584 -2.784 17774 8 1 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.750 -3.651 17774 9 1 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.301 -0.301 17774 10 1 . 1 1 7 7 ALA C C 21 171.800 171.800 175.134 -3.334 17774 11 1 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.603 -3.803 17774 12 1 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.997 -0.397 17774 13 1 . 1 1 8 8 GLU C C 22 170.700 170.700 175.238 -4.538 17774 14 1 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.920 -3.320 17774 15 1 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.489 2.911 17774 16 1 . 1 1 9 9 ASN C C 23 171.000 171.000 175.010 -4.010 17774 17 1 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.641 -3.041 17774 18 1 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.454 0.146 17774 19 1 . 1 1 14 14 LYS C C 28 173.300 173.300 176.106 -2.806 17774 20 1 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.600 -3.099 17774 21 1 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.466 -2.666 17774 22 1 . 1 1 16 16 ALA C C 30 172.600 172.600 176.296 -3.696 17774 23 1 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.322 -3.922 17774 24 1 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.321 0.779 17774 25 1 . 1 1 17 17 ILE C C 31 171.500 171.500 174.674 -3.174 17774 26 1 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.540 -3.240 17774 27 1 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.875 -0.875 17774 28 1 . 1 1 18 18 ILE C C 32 171.700 171.700 174.275 -2.575 17774 29 1 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.850 -4.450 17774 30 1 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.692 -1.492 17774 31 1 . 1 1 20 20 LEU C C 34 171.200 171.200 175.229 -4.029 17774 32 1 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.761 -2.661 17774 33 1 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.377 -0.677 17774 34 1 . 1 1 21 21 MET C C 35 171.300 171.300 175.919 -4.619 17774 35 1 . 1 1 21 21 MET CA C 35 52.000 52.000 54.774 -2.774 17774 36 1 . 1 1 21 21 MET CB C 35 33.800 33.800 35.027 -1.227 17774 37 1 . 1 1 22 22 VAL C C 36 171.500 171.500 176.776 -5.276 17774 38 1 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.835 -5.335 17774 39 1 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.794 0.406 17774 40 1 . 1 1 24 24 GLY C C 38 168.000 168.000 174.025 -6.025 17774 41 1 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.619 -1.820 17774 42 1 . 1 1 25 25 VAL C C 39 172.100 172.100 175.430 -3.330 17774 43 1 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.239 -3.539 17774 44 1 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.407 -1.207 17774 stop_ save_