data_18175 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18175 _Entry.PDB_ID 2LNQ 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 18175 _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 16 170.700 170.700 174.998 -4.298 18175 2 1 1 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.481 -3.781 18175 3 1 1 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.156 1.244 18175 4 1 1 . 1 1 4 4 VAL C C 18 170.200 170.200 174.662 -4.462 18175 5 1 1 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.157 -3.957 18175 6 1 1 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.350 -1.750 18175 7 1 1 . 1 1 5 5 PHE C C 19 170.800 170.800 173.734 -2.934 18175 8 1 1 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.849 -3.749 18175 9 1 1 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.277 -0.277 18175 10 1 1 . 1 1 7 7 ALA C C 21 171.800 171.800 174.748 -2.948 18175 11 1 1 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.359 -3.559 18175 12 1 1 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.011 -0.411 18175 13 1 1 . 1 1 8 8 GLU C C 22 170.700 170.700 175.632 -4.932 18175 14 1 1 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.512 -2.912 18175 15 1 1 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.357 3.043 18175 16 1 1 . 1 1 9 9 ASN C C 23 171.000 171.000 175.982 -4.982 18175 17 1 1 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.687 -3.087 18175 18 1 1 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.551 0.049 18175 19 1 1 . 1 1 14 14 LYS C C 28 173.300 173.300 176.307 -3.007 18175 20 1 1 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.684 -3.184 18175 21 1 1 . 1 1 14 14 LYS CB C 28 29.800 29.800 33.236 -3.436 18175 22 1 1 . 1 1 16 16 ALA C C 30 172.600 172.600 176.229 -3.629 18175 23 1 1 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.983 -3.583 18175 24 1 1 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.804 0.296 18175 25 1 1 . 1 1 17 17 ILE C C 31 171.500 171.500 174.251 -2.751 18175 26 1 1 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.474 -3.174 18175 27 1 1 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.901 -0.901 18175 28 1 1 . 1 1 18 18 ILE C C 32 171.700 171.700 174.167 -2.467 18175 29 1 1 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.401 -4.001 18175 30 1 1 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.528 -1.328 18175 31 1 1 . 1 1 20 20 LEU C C 34 171.200 171.200 174.961 -3.761 18175 32 1 1 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.090 -2.990 18175 33 1 1 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.448 -0.748 18175 34 1 1 . 1 1 21 21 MET C C 35 171.300 171.300 174.661 -3.361 18175 35 1 1 . 1 1 21 21 MET CA C 35 52.000 52.000 55.060 -3.060 18175 36 1 1 . 1 1 21 21 MET CB C 35 33.800 33.800 33.867 -0.067 18175 37 1 1 . 1 1 22 22 VAL C C 36 171.500 171.500 176.718 -5.218 18175 38 1 1 . 1 1 22 22 VAL CA C 36 57.500 57.500 61.489 -3.989 18175 39 1 1 . 1 1 22 22 VAL CB C 36 32.200 32.200 33.501 -1.301 18175 40 1 1 . 1 1 24 24 GLY C C 38 168.000 168.000 174.228 -6.228 18175 41 1 1 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.514 -1.714 18175 42 1 1 . 1 1 25 25 VAL C C 39 172.100 172.100 176.253 -4.153 18175 43 1 1 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.195 -3.495 18175 44 1 1 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.406 -1.206 18175 45 1 2 . 1 1 2 2 LYS C C 16 170.700 170.700 175.637 -4.937 18175 46 1 2 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.099 -3.399 18175 47 1 2 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.064 1.336 18175 48 1 2 . 1 1 4 4 VAL C C 18 170.200 170.200 174.699 -4.499 18175 49 1 2 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.404 -4.204 18175 50 1 2 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.562 -1.962 18175 51 1 2 . 1 1 5 5 PHE C C 19 170.800 170.800 173.471 -2.671 18175 52 1 2 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.525 -3.425 18175 53 1 2 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.343 -0.343 18175 54 1 2 . 1 1 7 7 ALA C C 21 171.800 171.800 174.632 -2.832 18175 55 1 2 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.325 -3.525 18175 56 1 2 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.852 -0.252 18175 57 1 2 . 1 1 8 8 GLU C C 22 170.700 170.700 175.180 -4.480 18175 58 1 2 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.648 -3.048 18175 59 1 2 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.716 2.684 18175 60 1 2 . 1 1 9 9 ASN C C 23 171.000 171.000 174.903 -3.903 18175 61 1 2 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.508 -2.908 18175 62 1 2 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.392 0.207 18175 63 1 2 . 1 1 14 14 LYS C C 28 173.300 173.300 177.579 -4.279 18175 64 1 2 . 1 1 14 14 LYS CA C 28 53.500 53.500 58.302 -4.802 18175 65 1 2 . 1 1 14 14 LYS CB C 28 29.800 29.800 31.480 -1.679 18175 66 1 2 . 1 1 16 16 ALA C C 30 172.600 172.600 175.968 -3.368 18175 67 1 2 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.480 -3.080 18175 68 1 2 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.416 -0.316 18175 69 1 2 . 1 1 17 17 ILE C C 31 171.500 171.500 174.465 -2.965 18175 70 1 2 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.533 -3.233 18175 71 1 2 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.554 -1.554 18175 72 1 2 . 1 1 18 18 ILE C C 32 171.700 171.700 173.983 -2.283 18175 73 1 2 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.847 -4.447 18175 74 1 2 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.731 -1.531 18175 75 1 2 . 1 1 20 20 LEU C C 34 171.200 171.200 175.402 -4.202 18175 76 1 2 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.099 -2.999 18175 77 1 2 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.257 -0.557 18175 78 1 2 . 1 1 21 21 MET C C 35 171.300 171.300 175.193 -3.893 18175 79 1 2 . 1 1 21 21 MET CA C 35 52.000 52.000 54.871 -2.871 18175 80 1 2 . 1 1 21 21 MET CB C 35 33.800 33.800 34.880 -1.081 18175 81 1 2 . 1 1 22 22 VAL C C 36 171.500 171.500 176.951 -5.451 18175 82 1 2 . 1 1 22 22 VAL CA C 36 57.500 57.500 61.674 -4.174 18175 83 1 2 . 1 1 22 22 VAL CB C 36 32.200 32.200 32.149 0.051 18175 84 1 2 . 1 1 24 24 GLY C C 38 168.000 168.000 174.349 -6.349 18175 85 1 2 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.615 -1.815 18175 86 1 2 . 1 1 25 25 VAL C C 39 172.100 172.100 174.821 -2.721 18175 87 1 2 . 1 1 25 25 VAL CA C 39 58.700 58.700 61.625 -2.925 18175 88 1 2 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.450 -1.250 18175 89 1 3 . 1 1 2 2 LYS C C 16 170.700 170.700 175.300 -4.600 18175 90 1 3 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.199 -3.499 18175 91 1 3 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.722 1.678 18175 92 1 3 . 1 1 4 4 VAL C C 18 170.200 170.200 174.657 -4.457 18175 93 1 3 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.331 -4.131 18175 94 1 3 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.471 -1.871 18175 95 1 3 . 1 1 5 5 PHE C C 19 170.800 170.800 173.552 -2.752 18175 96 1 3 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.828 -3.728 18175 97 1 3 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.465 -0.465 18175 98 1 3 . 1 1 7 7 ALA C C 21 171.800 171.800 174.681 -2.881 18175 99 1 3 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.399 -3.599 18175 100 1 3 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.429 -0.829 18175 101 1 3 . 1 1 8 8 GLU C C 22 170.700 170.700 175.097 -4.397 18175 102 1 3 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.092 -3.492 18175 103 1 3 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.139 3.261 18175 104 1 3 . 1 1 9 9 ASN C C 23 171.000 171.000 175.125 -4.125 18175 105 1 3 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.850 -3.250 18175 106 1 3 . 1 1 9 9 ASN CB C 23 39.600 39.600 40.444 -0.844 18175 107 1 3 . 1 1 14 14 LYS C C 28 173.300 173.300 177.646 -4.346 18175 108 1 3 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.619 -3.119 18175 109 1 3 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.580 -2.780 18175 110 1 3 . 1 1 16 16 ALA C C 30 172.600 172.600 175.725 -3.125 18175 111 1 3 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.592 -3.192 18175 112 1 3 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.287 -0.187 18175 113 1 3 . 1 1 17 17 ILE C C 31 171.500 171.500 174.315 -2.815 18175 114 1 3 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.770 -3.470 18175 115 1 3 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.359 -1.359 18175 116 1 3 . 1 1 18 18 ILE C C 32 171.700 171.700 173.885 -2.185 18175 117 1 3 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.724 -4.324 18175 118 1 3 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.690 -1.490 18175 119 1 3 . 1 1 20 20 LEU C C 34 171.200 171.200 175.212 -4.012 18175 120 1 3 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.162 -3.062 18175 121 1 3 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.203 -0.503 18175 122 1 3 . 1 1 21 21 MET C C 35 171.300 171.300 175.152 -3.852 18175 123 1 3 . 1 1 21 21 MET CA C 35 52.000 52.000 54.975 -2.975 18175 124 1 3 . 1 1 21 21 MET CB C 35 33.800 33.800 34.206 -0.406 18175 125 1 3 . 1 1 22 22 VAL C C 36 171.500 171.500 176.338 -4.838 18175 126 1 3 . 1 1 22 22 VAL CA C 36 57.500 57.500 61.751 -4.251 18175 127 1 3 . 1 1 22 22 VAL CB C 36 32.200 32.200 33.762 -1.562 18175 128 1 3 . 1 1 24 24 GLY C C 38 168.000 168.000 174.764 -6.764 18175 129 1 3 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.920 -2.120 18175 130 1 3 . 1 1 25 25 VAL C C 39 172.100 172.100 175.762 -3.662 18175 131 1 3 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.661 -3.961 18175 132 1 3 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.505 -1.305 18175 133 1 4 . 1 1 2 2 LYS C C 16 170.700 170.700 175.206 -4.506 18175 134 1 4 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.220 -3.520 18175 135 1 4 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.352 1.048 18175 136 1 4 . 1 1 4 4 VAL C C 18 170.200 170.200 174.626 -4.426 18175 137 1 4 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.211 -4.011 18175 138 1 4 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.672 -2.071 18175 139 1 4 . 1 1 5 5 PHE C C 19 170.800 170.800 173.414 -2.614 18175 140 1 4 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.620 -3.520 18175 141 1 4 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.593 -0.593 18175 142 1 4 . 1 1 7 7 ALA C C 21 171.800 171.800 175.475 -3.675 18175 143 1 4 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.509 -3.709 18175 144 1 4 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.803 -0.203 18175 145 1 4 . 1 1 8 8 GLU C C 22 170.700 170.700 175.219 -4.519 18175 146 1 4 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.736 -3.136 18175 147 1 4 . 1 1 8 8 GLU CB C 22 34.400 34.400 32.228 2.171 18175 148 1 4 . 1 1 9 9 ASN C C 23 171.000 171.000 175.765 -4.765 18175 149 1 4 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.638 -3.038 18175 150 1 4 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.976 -0.376 18175 151 1 4 . 1 1 14 14 LYS C C 28 173.300 173.300 175.270 -1.970 18175 152 1 4 . 1 1 14 14 LYS CA C 28 53.500 53.500 55.723 -2.223 18175 153 1 4 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.313 -2.513 18175 154 1 4 . 1 1 16 16 ALA C C 30 172.600 172.600 176.620 -4.020 18175 155 1 4 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.845 -3.445 18175 156 1 4 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.994 0.107 18175 157 1 4 . 1 1 17 17 ILE C C 31 171.500 171.500 175.169 -3.669 18175 158 1 4 . 1 1 17 17 ILE CA C 31 57.300 57.300 61.005 -3.705 18175 159 1 4 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.510 -1.510 18175 160 1 4 . 1 1 18 18 ILE C C 32 171.700 171.700 174.219 -2.519 18175 161 1 4 . 1 1 18 18 ILE CA C 32 56.400 56.400 61.010 -4.610 18175 162 1 4 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.951 -1.751 18175 163 1 4 . 1 1 20 20 LEU C C 34 171.200 171.200 175.493 -4.293 18175 164 1 4 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.058 -2.958 18175 165 1 4 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.193 -0.493 18175 166 1 4 . 1 1 21 21 MET C C 35 171.300 171.300 175.162 -3.862 18175 167 1 4 . 1 1 21 21 MET CA C 35 52.000 52.000 54.973 -2.973 18175 168 1 4 . 1 1 21 21 MET CB C 35 33.800 33.800 34.572 -0.771 18175 169 1 4 . 1 1 22 22 VAL C C 36 171.500 171.500 176.909 -5.409 18175 170 1 4 . 1 1 22 22 VAL CA C 36 57.500 57.500 61.887 -4.387 18175 171 1 4 . 1 1 22 22 VAL CB C 36 32.200 32.200 32.770 -0.570 18175 172 1 4 . 1 1 24 24 GLY C C 38 168.000 168.000 174.419 -6.419 18175 173 1 4 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.397 -1.597 18175 174 1 4 . 1 1 25 25 VAL C C 39 172.100 172.100 174.948 -2.848 18175 175 1 4 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.543 -3.843 18175 176 1 4 . 1 1 25 25 VAL CB C 39 31.200 31.200 31.899 -0.699 18175 177 1 5 . 1 1 2 2 LYS C C 16 170.700 170.700 175.209 -4.509 18175 178 1 5 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.091 -3.391 18175 179 1 5 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.541 1.859 18175 180 1 5 . 1 1 4 4 VAL C C 18 170.200 170.200 174.347 -4.147 18175 181 1 5 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.507 -3.307 18175 182 1 5 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.567 -1.967 18175 183 1 5 . 1 1 5 5 PHE C C 19 170.800 170.800 173.570 -2.770 18175 184 1 5 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.806 -3.706 18175 185 1 5 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.208 -0.208 18175 186 1 5 . 1 1 7 7 ALA C C 21 171.800 171.800 174.650 -2.850 18175 187 1 5 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.213 -3.413 18175 188 1 5 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.255 -0.655 18175 189 1 5 . 1 1 8 8 GLU C C 22 170.700 170.700 175.220 -4.520 18175 190 1 5 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.965 -3.365 18175 191 1 5 . 1 1 8 8 GLU CB C 22 34.400 34.400 30.937 3.463 18175 192 1 5 . 1 1 9 9 ASN C C 23 171.000 171.000 174.215 -3.215 18175 193 1 5 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.625 -3.025 18175 194 1 5 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.163 0.437 18175 195 1 5 . 1 1 14 14 LYS C C 28 173.300 173.300 175.016 -1.716 18175 196 1 5 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.078 -2.578 18175 197 1 5 . 1 1 14 14 LYS CB C 28 29.800 29.800 33.871 -4.071 18175 198 1 5 . 1 1 16 16 ALA C C 30 172.600 172.600 176.476 -3.876 18175 199 1 5 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.559 -3.159 18175 200 1 5 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.686 0.414 18175 201 1 5 . 1 1 17 17 ILE C C 31 171.500 171.500 174.279 -2.779 18175 202 1 5 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.135 -2.835 18175 203 1 5 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.625 -0.625 18175 204 1 5 . 1 1 18 18 ILE C C 32 171.700 171.700 174.042 -2.342 18175 205 1 5 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.398 -3.998 18175 206 1 5 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.526 -1.326 18175 207 1 5 . 1 1 20 20 LEU C C 34 171.200 171.200 175.531 -4.331 18175 208 1 5 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.071 -2.971 18175 209 1 5 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.126 -0.426 18175 210 1 5 . 1 1 21 21 MET C C 35 171.300 171.300 174.807 -3.507 18175 211 1 5 . 1 1 21 21 MET CA C 35 52.000 52.000 55.296 -3.296 18175 212 1 5 . 1 1 21 21 MET CB C 35 33.800 33.800 34.356 -0.556 18175 213 1 5 . 1 1 22 22 VAL C C 36 171.500 171.500 176.909 -5.409 18175 214 1 5 . 1 1 22 22 VAL CA C 36 57.500 57.500 61.966 -4.466 18175 215 1 5 . 1 1 22 22 VAL CB C 36 32.200 32.200 33.019 -0.819 18175 216 1 5 . 1 1 24 24 GLY C C 38 168.000 168.000 174.586 -6.586 18175 217 1 5 . 1 1 24 24 GLY CA C 38 42.800 42.800 45.404 -2.604 18175 218 1 5 . 1 1 25 25 VAL C C 39 172.100 172.100 176.239 -4.139 18175 219 1 5 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.111 -3.411 18175 220 1 5 . 1 1 25 25 VAL CB C 39 31.200 31.200 33.255 -2.055 18175 221 1 6 . 1 1 2 2 LYS C C 16 170.700 170.700 175.233 -4.533 18175 222 1 6 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.473 -3.773 18175 223 1 6 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.241 1.159 18175 224 1 6 . 1 1 4 4 VAL C C 18 170.200 170.200 174.509 -4.309 18175 225 1 6 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.870 -3.670 18175 226 1 6 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.825 -2.225 18175 227 1 6 . 1 1 5 5 PHE C C 19 170.800 170.800 173.475 -2.675 18175 228 1 6 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.761 -3.661 18175 229 1 6 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.246 -0.246 18175 230 1 6 . 1 1 7 7 ALA C C 21 171.800 171.800 174.932 -3.132 18175 231 1 6 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.207 -3.407 18175 232 1 6 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.760 -1.160 18175 233 1 6 . 1 1 8 8 GLU C C 22 170.700 170.700 174.890 -4.190 18175 234 1 6 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.878 -3.278 18175 235 1 6 . 1 1 8 8 GLU CB C 22 34.400 34.400 32.041 2.359 18175 236 1 6 . 1 1 9 9 ASN C C 23 171.000 171.000 174.997 -3.997 18175 237 1 6 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.601 -3.001 18175 238 1 6 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.586 0.014 18175 239 1 6 . 1 1 14 14 LYS C C 28 173.300 173.300 175.964 -2.664 18175 240 1 6 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.541 -3.041 18175 241 1 6 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.497 -2.697 18175 242 1 6 . 1 1 16 16 ALA C C 30 172.600 172.600 176.283 -3.683 18175 243 1 6 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.769 -3.369 18175 244 1 6 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.222 -0.122 18175 245 1 6 . 1 1 17 17 ILE C C 31 171.500 171.500 174.248 -2.748 18175 246 1 6 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.615 -3.315 18175 247 1 6 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.130 -1.130 18175 248 1 6 . 1 1 18 18 ILE C C 32 171.700 171.700 174.925 -3.225 18175 249 1 6 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.919 -4.519 18175 250 1 6 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.550 -1.350 18175 251 1 6 . 1 1 20 20 LEU C C 34 171.200 171.200 175.680 -4.480 18175 252 1 6 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.132 -3.032 18175 253 1 6 . 1 1 20 20 LEU CB C 34 43.700 43.700 43.859 -0.159 18175 254 1 6 . 1 1 21 21 MET C C 35 171.300 171.300 175.651 -4.351 18175 255 1 6 . 1 1 21 21 MET CA C 35 52.000 52.000 54.788 -2.788 18175 256 1 6 . 1 1 21 21 MET CB C 35 33.800 33.800 35.377 -1.577 18175 257 1 6 . 1 1 22 22 VAL C C 36 171.500 171.500 175.769 -4.269 18175 258 1 6 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.040 -4.540 18175 259 1 6 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.892 0.308 18175 260 1 6 . 1 1 24 24 GLY C C 38 168.000 168.000 174.423 -6.423 18175 261 1 6 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.925 -2.125 18175 262 1 6 . 1 1 25 25 VAL C C 39 172.100 172.100 175.424 -3.324 18175 263 1 6 . 1 1 25 25 VAL CA C 39 58.700 58.700 61.489 -2.789 18175 264 1 6 . 1 1 25 25 VAL CB C 39 31.200 31.200 33.117 -1.917 18175 265 1 7 . 1 1 2 2 LYS C C 16 170.700 170.700 174.905 -4.205 18175 266 1 7 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.517 -3.817 18175 267 1 7 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.049 1.351 18175 268 1 7 . 1 1 4 4 VAL C C 18 170.200 170.200 174.504 -4.304 18175 269 1 7 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.914 -3.714 18175 270 1 7 . 1 1 4 4 VAL CB C 18 32.600 32.600 35.033 -2.433 18175 271 1 7 . 1 1 5 5 PHE C C 19 170.800 170.800 173.409 -2.609 18175 272 1 7 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.644 -3.544 18175 273 1 7 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.123 -0.123 18175 274 1 7 . 1 1 7 7 ALA C C 21 171.800 171.800 175.348 -3.548 18175 275 1 7 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.738 -3.938 18175 276 1 7 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.891 -0.291 18175 277 1 7 . 1 1 8 8 GLU C C 22 170.700 170.700 175.165 -4.465 18175 278 1 7 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.221 -3.621 18175 279 1 7 . 1 1 8 8 GLU CB C 22 34.400 34.400 32.294 2.106 18175 280 1 7 . 1 1 9 9 ASN C C 23 171.000 171.000 175.948 -4.948 18175 281 1 7 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.814 -3.214 18175 282 1 7 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.392 0.208 18175 283 1 7 . 1 1 14 14 LYS C C 28 173.300 173.300 175.885 -2.585 18175 284 1 7 . 1 1 14 14 LYS CA C 28 53.500 53.500 57.191 -3.691 18175 285 1 7 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.422 -2.622 18175 286 1 7 . 1 1 16 16 ALA C C 30 172.600 172.600 176.669 -4.069 18175 287 1 7 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.864 -3.464 18175 288 1 7 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.822 0.278 18175 289 1 7 . 1 1 17 17 ILE C C 31 171.500 171.500 175.225 -3.725 18175 290 1 7 . 1 1 17 17 ILE CA C 31 57.300 57.300 61.063 -3.763 18175 291 1 7 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.603 -1.603 18175 292 1 7 . 1 1 18 18 ILE C C 32 171.700 171.700 174.179 -2.479 18175 293 1 7 . 1 1 18 18 ILE CA C 32 56.400 56.400 61.006 -4.606 18175 294 1 7 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.961 -1.761 18175 295 1 7 . 1 1 20 20 LEU C C 34 171.200 171.200 175.280 -4.080 18175 296 1 7 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.024 -2.924 18175 297 1 7 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.188 -0.488 18175 298 1 7 . 1 1 21 21 MET C C 35 171.300 171.300 174.636 -3.336 18175 299 1 7 . 1 1 21 21 MET CA C 35 52.000 52.000 54.742 -2.741 18175 300 1 7 . 1 1 21 21 MET CB C 35 33.800 33.800 34.347 -0.547 18175 301 1 7 . 1 1 22 22 VAL C C 36 171.500 171.500 176.869 -5.369 18175 302 1 7 . 1 1 22 22 VAL CA C 36 57.500 57.500 61.715 -4.215 18175 303 1 7 . 1 1 22 22 VAL CB C 36 32.200 32.200 33.039 -0.840 18175 304 1 7 . 1 1 24 24 GLY C C 38 168.000 168.000 174.950 -6.950 18175 305 1 7 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.576 -1.776 18175 306 1 7 . 1 1 25 25 VAL C C 39 172.100 172.100 175.519 -3.419 18175 307 1 7 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.082 -3.382 18175 308 1 7 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.009 -0.809 18175 309 1 8 . 1 1 2 2 LYS C C 16 170.700 170.700 175.275 -4.575 18175 310 1 8 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.069 -3.369 18175 311 1 8 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.737 0.663 18175 312 1 8 . 1 1 4 4 VAL C C 18 170.200 170.200 174.678 -4.478 18175 313 1 8 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.168 -3.968 18175 314 1 8 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.549 -1.949 18175 315 1 8 . 1 1 5 5 PHE C C 19 170.800 170.800 173.428 -2.628 18175 316 1 8 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.549 -3.449 18175 317 1 8 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.648 -0.648 18175 318 1 8 . 1 1 7 7 ALA C C 21 171.800 171.800 175.653 -3.853 18175 319 1 8 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.888 -4.088 18175 320 1 8 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.544 0.056 18175 321 1 8 . 1 1 8 8 GLU C C 22 170.700 170.700 175.429 -4.729 18175 322 1 8 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.806 -3.206 18175 323 1 8 . 1 1 8 8 GLU CB C 22 34.400 34.400 32.572 1.828 18175 324 1 8 . 1 1 9 9 ASN C C 23 171.000 171.000 175.077 -4.077 18175 325 1 8 . 1 1 9 9 ASN CA C 23 49.600 49.600 53.074 -3.474 18175 326 1 8 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.331 0.269 18175 327 1 8 . 1 1 14 14 LYS C C 28 173.300 173.300 174.931 -1.631 18175 328 1 8 . 1 1 14 14 LYS CA C 28 53.500 53.500 55.194 -1.694 18175 329 1 8 . 1 1 14 14 LYS CB C 28 29.800 29.800 35.322 -5.521 18175 330 1 8 . 1 1 16 16 ALA C C 30 172.600 172.600 175.808 -3.208 18175 331 1 8 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.159 -2.759 18175 332 1 8 . 1 1 16 16 ALA CB C 30 20.100 20.100 21.659 -1.559 18175 333 1 8 . 1 1 17 17 ILE C C 31 171.500 171.500 174.229 -2.729 18175 334 1 8 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.393 -3.093 18175 335 1 8 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.160 -1.160 18175 336 1 8 . 1 1 18 18 ILE C C 32 171.700 171.700 173.974 -2.274 18175 337 1 8 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.912 -4.512 18175 338 1 8 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.752 -1.552 18175 339 1 8 . 1 1 20 20 LEU C C 34 171.200 171.200 175.191 -3.991 18175 340 1 8 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.190 -3.090 18175 341 1 8 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.467 -0.767 18175 342 1 8 . 1 1 21 21 MET C C 35 171.300 171.300 174.649 -3.349 18175 343 1 8 . 1 1 21 21 MET CA C 35 52.000 52.000 55.041 -3.041 18175 344 1 8 . 1 1 21 21 MET CB C 35 33.800 33.800 34.206 -0.406 18175 345 1 8 . 1 1 22 22 VAL C C 36 171.500 171.500 176.733 -5.233 18175 346 1 8 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.323 -4.823 18175 347 1 8 . 1 1 22 22 VAL CB C 36 32.200 32.200 33.546 -1.346 18175 348 1 8 . 1 1 24 24 GLY C C 38 168.000 168.000 174.332 -6.332 18175 349 1 8 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.350 -1.550 18175 350 1 8 . 1 1 25 25 VAL C C 39 172.100 172.100 175.694 -3.594 18175 351 1 8 . 1 1 25 25 VAL CA C 39 58.700 58.700 61.900 -3.200 18175 352 1 8 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.189 -0.989 18175 353 1 9 . 1 1 2 2 LYS C C 16 170.700 170.700 175.010 -4.310 18175 354 1 9 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.575 -3.875 18175 355 1 9 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.339 1.061 18175 356 1 9 . 1 1 4 4 VAL C C 18 170.200 170.200 174.450 -4.250 18175 357 1 9 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.857 -3.657 18175 358 1 9 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.944 -2.344 18175 359 1 9 . 1 1 5 5 PHE C C 19 170.800 170.800 173.471 -2.671 18175 360 1 9 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.878 -3.778 18175 361 1 9 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.292 -0.292 18175 362 1 9 . 1 1 7 7 ALA C C 21 171.800 171.800 175.237 -3.437 18175 363 1 9 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.493 -3.693 18175 364 1 9 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.067 -0.467 18175 365 1 9 . 1 1 8 8 GLU C C 22 170.700 170.700 175.152 -4.452 18175 366 1 9 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.133 -3.533 18175 367 1 9 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.850 2.550 18175 368 1 9 . 1 1 9 9 ASN C C 23 171.000 171.000 174.572 -3.572 18175 369 1 9 . 1 1 9 9 ASN CA C 23 49.600 49.600 53.010 -3.410 18175 370 1 9 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.294 0.306 18175 371 1 9 . 1 1 14 14 LYS C C 28 173.300 173.300 176.893 -3.593 18175 372 1 9 . 1 1 14 14 LYS CA C 28 53.500 53.500 57.389 -3.889 18175 373 1 9 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.826 -3.026 18175 374 1 9 . 1 1 16 16 ALA C C 30 172.600 172.600 175.922 -3.322 18175 375 1 9 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.900 -3.499 18175 376 1 9 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.749 -0.649 18175 377 1 9 . 1 1 17 17 ILE C C 31 171.500 171.500 174.945 -3.445 18175 378 1 9 . 1 1 17 17 ILE CA C 31 57.300 57.300 61.189 -3.889 18175 379 1 9 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.476 -1.476 18175 380 1 9 . 1 1 18 18 ILE C C 32 171.700 171.700 174.076 -2.376 18175 381 1 9 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.944 -4.544 18175 382 1 9 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.822 -1.622 18175 383 1 9 . 1 1 20 20 LEU C C 34 171.200 171.200 175.511 -4.311 18175 384 1 9 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.067 -2.967 18175 385 1 9 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.206 -0.506 18175 386 1 9 . 1 1 21 21 MET C C 35 171.300 171.300 175.092 -3.792 18175 387 1 9 . 1 1 21 21 MET CA C 35 52.000 52.000 54.849 -2.849 18175 388 1 9 . 1 1 21 21 MET CB C 35 33.800 33.800 34.494 -0.694 18175 389 1 9 . 1 1 22 22 VAL C C 36 171.500 171.500 175.441 -3.941 18175 390 1 9 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.342 -4.842 18175 391 1 9 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.811 0.389 18175 392 1 9 . 1 1 24 24 GLY C C 38 168.000 168.000 173.791 -5.791 18175 393 1 9 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.609 -1.809 18175 394 1 9 . 1 1 25 25 VAL C C 39 172.100 172.100 176.108 -4.008 18175 395 1 9 . 1 1 25 25 VAL CA C 39 58.700 58.700 60.756 -2.056 18175 396 1 9 . 1 1 25 25 VAL CB C 39 31.200 31.200 34.396 -3.196 18175 397 1 10 . 1 1 2 2 LYS C C 16 170.700 170.700 175.182 -4.482 18175 398 1 10 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.052 -3.352 18175 399 1 10 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.563 0.837 18175 400 1 10 . 1 1 4 4 VAL C C 18 170.200 170.200 174.507 -4.307 18175 401 1 10 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.874 -3.674 18175 402 1 10 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.816 -2.216 18175 403 1 10 . 1 1 5 5 PHE C C 19 170.800 170.800 173.541 -2.741 18175 404 1 10 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.866 -3.766 18175 405 1 10 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.184 -0.184 18175 406 1 10 . 1 1 7 7 ALA C C 21 171.800 171.800 174.994 -3.194 18175 407 1 10 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.408 -3.608 18175 408 1 10 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.422 -0.822 18175 409 1 10 . 1 1 8 8 GLU C C 22 170.700 170.700 175.326 -4.626 18175 410 1 10 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.617 -3.017 18175 411 1 10 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.612 2.788 18175 412 1 10 . 1 1 9 9 ASN C C 23 171.000 171.000 174.762 -3.762 18175 413 1 10 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.529 -2.929 18175 414 1 10 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.546 0.054 18175 415 1 10 . 1 1 14 14 LYS C C 28 173.300 173.300 175.732 -2.432 18175 416 1 10 . 1 1 14 14 LYS CA C 28 53.500 53.500 57.104 -3.604 18175 417 1 10 . 1 1 14 14 LYS CB C 28 29.800 29.800 31.195 -1.395 18175 418 1 10 . 1 1 16 16 ALA C C 30 172.600 172.600 176.426 -3.826 18175 419 1 10 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.681 -3.281 18175 420 1 10 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.820 0.280 18175 421 1 10 . 1 1 17 17 ILE C C 31 171.500 171.500 174.823 -3.323 18175 422 1 10 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.804 -3.504 18175 423 1 10 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.630 -1.630 18175 424 1 10 . 1 1 18 18 ILE C C 32 171.700 171.700 174.184 -2.484 18175 425 1 10 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.228 -3.828 18175 426 1 10 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.130 -0.930 18175 427 1 10 . 1 1 20 20 LEU C C 34 171.200 171.200 175.645 -4.445 18175 428 1 10 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.219 -3.119 18175 429 1 10 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.008 -0.308 18175 430 1 10 . 1 1 21 21 MET C C 35 171.300 171.300 175.083 -3.783 18175 431 1 10 . 1 1 21 21 MET CA C 35 52.000 52.000 55.007 -3.007 18175 432 1 10 . 1 1 21 21 MET CB C 35 33.800 33.800 34.322 -0.522 18175 433 1 10 . 1 1 22 22 VAL C C 36 171.500 171.500 176.666 -5.166 18175 434 1 10 . 1 1 22 22 VAL CA C 36 57.500 57.500 61.807 -4.307 18175 435 1 10 . 1 1 22 22 VAL CB C 36 32.200 32.200 32.754 -0.554 18175 436 1 10 . 1 1 24 24 GLY C C 38 168.000 168.000 173.770 -5.770 18175 437 1 10 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.625 -1.825 18175 438 1 10 . 1 1 25 25 VAL C C 39 172.100 172.100 175.282 -3.182 18175 439 1 10 . 1 1 25 25 VAL CA C 39 58.700 58.700 60.753 -2.053 18175 440 1 10 . 1 1 25 25 VAL CB C 39 31.200 31.200 34.092 -2.892 18175 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 18175 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18175 3 1 1 "Average Difference" C 15 4.078 3.942 1.079 18175 4 1 1 "Average Difference" CA 15 3.397 3.349 0.590 18175 5 1 1 "Average Difference" CB 14 1.519 0.485 1.494 18175 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18175 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18175 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18175 9 1 2 "Average Difference" C 15 4.074 3.922 1.141 18175 10 1 2 "Average Difference" CA 15 3.468 3.390 0.756 18175 11 1 2 "Average Difference" CB 14 1.303 0.446 1.271 18175 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18175 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18175 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18175 15 1 3 "Average Difference" C 15 4.067 3.921 1.119 18175 16 1 3 "Average Difference" CA 15 3.522 3.478 0.572 18175 17 1 3 "Average Difference" CB 14 1.580 0.619 1.509 18175 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18175 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18175 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18175 21 1 4 "Average Difference" C 15 4.124 3.968 1.165 18175 22 1 4 "Average Difference" CA 15 3.460 3.378 0.776 18175 23 1 4 "Average Difference" CB 14 1.308 0.587 1.213 18175 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18175 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18175 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18175 27 1 5 "Average Difference" C 15 3.967 3.780 1.248 18175 28 1 5 "Average Difference" CA 15 3.337 3.302 0.498 18175 29 1 5 "Average Difference" CB 14 1.778 0.467 1.780 18175 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18175 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18175 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18175 33 1 6 "Average Difference" C 15 3.981 3.867 0.981 18175 34 1 6 "Average Difference" CA 15 3.409 3.354 0.634 18175 35 1 6 "Average Difference" CB 14 1.462 0.625 1.372 18175 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18175 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18175 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18175 39 1 7 "Average Difference" C 15 4.162 4.006 1.169 18175 40 1 7 "Average Difference" CA 15 3.552 3.494 0.664 18175 41 1 7 "Average Difference" CB 14 1.385 0.541 1.323 18175 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18175 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18175 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18175 45 1 8 "Average Difference" C 15 3.957 3.779 1.214 18175 46 1 8 "Average Difference" CA 15 3.398 3.288 0.887 18175 47 1 8 "Average Difference" CB 14 1.857 0.934 1.666 18175 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18175 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18175 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18175 51 1 9 "Average Difference" C 15 3.896 3.818 0.804 18175 52 1 9 "Average Difference" CA 15 3.572 3.486 0.808 18175 53 1 9 "Average Difference" CB 14 1.669 0.712 1.567 18175 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18175 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18175 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18175 57 1 10 "Average Difference" C 15 3.948 3.835 0.973 18175 58 1 10 "Average Difference" CA 15 3.318 3.258 0.650 18175 59 1 10 "Average Difference" CB 14 1.431 0.535 1.378 18175 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18175 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 18175 _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 16 170.700 170.700 175.195 -4.496 18175 2 1 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.278 -3.578 18175 3 1 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.176 1.224 18175 4 1 . 1 1 4 4 VAL C C 18 170.200 170.200 174.564 -4.364 18175 5 1 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.029 -3.829 18175 6 1 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.679 -2.079 18175 7 1 . 1 1 5 5 PHE C C 19 170.800 170.800 173.506 -2.706 18175 8 1 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.733 -3.633 18175 9 1 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.338 -0.338 18175 10 1 . 1 1 7 7 ALA C C 21 171.800 171.800 175.035 -3.235 18175 11 1 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.454 -3.654 18175 12 1 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.103 -0.503 18175 13 1 . 1 1 8 8 GLU C C 22 170.700 170.700 175.231 -4.531 18175 14 1 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.861 -3.261 18175 15 1 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.775 2.625 18175 16 1 . 1 1 9 9 ASN C C 23 171.000 171.000 175.135 -4.135 18175 17 1 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.734 -3.134 18175 18 1 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.568 0.032 18175 19 1 . 1 1 14 14 LYS C C 28 173.300 173.300 176.122 -2.822 18175 20 1 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.682 -3.182 18175 21 1 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.774 -2.974 18175 22 1 . 1 1 16 16 ALA C C 30 172.600 172.600 176.213 -3.613 18175 23 1 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.683 -3.283 18175 24 1 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.246 -0.146 18175 25 1 . 1 1 17 17 ILE C C 31 171.500 171.500 174.595 -3.095 18175 26 1 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.698 -3.398 18175 27 1 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.295 -1.295 18175 28 1 . 1 1 18 18 ILE C C 32 171.700 171.700 174.163 -2.463 18175 29 1 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.739 -4.339 18175 30 1 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.664 -1.464 18175 31 1 . 1 1 20 20 LEU C C 34 171.200 171.200 175.391 -4.191 18175 32 1 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.111 -3.011 18175 33 1 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.195 -0.495 18175 34 1 . 1 1 21 21 MET C C 35 171.300 171.300 175.009 -3.709 18175 35 1 . 1 1 21 21 MET CA C 35 52.000 52.000 54.960 -2.960 18175 36 1 . 1 1 21 21 MET CB C 35 33.800 33.800 34.463 -0.663 18175 37 1 . 1 1 22 22 VAL C C 36 171.500 171.500 176.530 -5.030 18175 38 1 . 1 1 22 22 VAL CA C 36 57.500 57.500 61.899 -4.399 18175 39 1 . 1 1 22 22 VAL CB C 36 32.200 32.200 32.824 -0.624 18175 40 1 . 1 1 24 24 GLY C C 38 168.000 168.000 174.361 -6.361 18175 41 1 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.694 -1.894 18175 42 1 . 1 1 25 25 VAL C C 39 172.100 172.100 175.605 -3.505 18175 43 1 . 1 1 25 25 VAL CA C 39 58.700 58.700 61.812 -3.112 18175 44 1 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.832 -1.632 18175 stop_ save_