data_17870 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17870 _Entry.PDB_ID 2LHX 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 17870 _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 3 3 THR N N 3 114.800 114.800 117.885 -3.085 17870 2 1 1 . 1 1 3 3 THR HA H 3 4.500 4.500 4.866 -0.366 17870 3 1 1 . 1 1 3 3 THR CA C 3 61.800 61.800 61.550 0.251 17870 4 1 1 . 1 1 3 3 THR CB C 3 70.040 70.040 71.791 -1.752 17870 5 1 1 . 1 1 3 3 THR H H 3 8.300 8.300 8.643 -0.343 17870 6 1 1 . 1 1 4 4 THR N N 4 115.600 115.600 115.685 -0.085 17870 7 1 1 . 1 1 4 4 THR HA H 4 4.740 4.740 4.623 0.117 17870 8 1 1 . 1 1 4 4 THR CA C 4 59.810 59.810 60.788 -0.978 17870 9 1 1 . 1 1 4 4 THR CB C 4 79.330 79.330 70.342 8.988 17870 10 1 1 . 1 1 4 4 THR H H 4 8.510 8.510 8.068 0.442 17870 11 1 1 . 1 1 5 5 THR N N 5 113.500 113.500 113.929 -0.429 17870 12 1 1 . 1 1 5 5 THR HA H 5 4.670 4.670 4.602 0.068 17870 13 1 1 . 1 1 5 5 THR CA C 5 58.400 58.400 59.811 -1.411 17870 14 1 1 . 1 1 5 5 THR CB C 5 77.070 77.070 68.977 8.093 17870 15 1 1 . 1 1 5 5 THR H H 5 8.670 8.670 8.044 0.626 17870 16 1 1 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.293 0.117 17870 17 1 1 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.503 -1.093 17870 18 1 1 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.271 0.979 17870 19 1 1 . 1 1 7 7 LEU HA H 7 4.120 4.120 3.887 0.233 17870 20 1 1 . 1 1 7 7 LEU CA C 7 55.560 55.560 57.059 -1.499 17870 21 1 1 . 1 1 7 7 LEU H H 7 8.190 8.190 8.094 0.096 17870 22 1 2 . 1 1 3 3 THR N N 3 114.800 114.800 113.476 1.324 17870 23 1 2 . 1 1 3 3 THR HA H 3 4.500 4.500 4.894 -0.394 17870 24 1 2 . 1 1 3 3 THR CA C 3 61.800 61.800 61.218 0.582 17870 25 1 2 . 1 1 3 3 THR CB C 3 70.040 70.040 71.324 -1.284 17870 26 1 2 . 1 1 3 3 THR H H 3 8.300 8.300 8.162 0.138 17870 27 1 2 . 1 1 4 4 THR N N 4 115.600 115.600 115.055 0.545 17870 28 1 2 . 1 1 4 4 THR HA H 4 4.740 4.740 4.568 0.172 17870 29 1 2 . 1 1 4 4 THR CA C 4 59.810 59.810 61.453 -1.643 17870 30 1 2 . 1 1 4 4 THR CB C 4 79.330 79.330 69.631 9.699 17870 31 1 2 . 1 1 4 4 THR H H 4 8.510 8.510 8.132 0.378 17870 32 1 2 . 1 1 5 5 THR N N 5 113.500 113.500 113.621 -0.121 17870 33 1 2 . 1 1 5 5 THR HA H 5 4.670 4.670 4.620 0.050 17870 34 1 2 . 1 1 5 5 THR CA C 5 58.400 58.400 59.686 -1.286 17870 35 1 2 . 1 1 5 5 THR CB C 5 77.070 77.070 68.350 8.720 17870 36 1 2 . 1 1 5 5 THR H H 5 8.670 8.670 8.132 0.538 17870 37 1 2 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.283 0.127 17870 38 1 2 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.929 -1.520 17870 39 1 2 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.040 2.210 17870 40 1 2 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.506 -0.386 17870 41 1 2 . 1 1 7 7 LEU CA C 7 55.560 55.560 54.496 1.064 17870 42 1 2 . 1 1 7 7 LEU H H 7 8.190 8.190 8.038 0.152 17870 43 1 3 . 1 1 3 3 THR N N 3 114.800 114.800 114.928 -0.128 17870 44 1 3 . 1 1 3 3 THR HA H 3 4.500 4.500 4.583 -0.083 17870 45 1 3 . 1 1 3 3 THR CA C 3 61.800 61.800 61.802 -0.002 17870 46 1 3 . 1 1 3 3 THR CB C 3 70.040 70.040 70.523 -0.483 17870 47 1 3 . 1 1 3 3 THR H H 3 8.300 8.300 8.133 0.167 17870 48 1 3 . 1 1 4 4 THR N N 4 115.600 115.600 116.534 -0.934 17870 49 1 3 . 1 1 4 4 THR HA H 4 4.740 4.740 4.734 0.006 17870 50 1 3 . 1 1 4 4 THR CA C 4 59.810 59.810 61.512 -1.702 17870 51 1 3 . 1 1 4 4 THR CB C 4 79.330 79.330 70.722 8.608 17870 52 1 3 . 1 1 4 4 THR H H 4 8.510 8.510 8.263 0.247 17870 53 1 3 . 1 1 5 5 THR N N 5 113.500 113.500 114.793 -1.293 17870 54 1 3 . 1 1 5 5 THR HA H 5 4.670 4.670 4.641 0.029 17870 55 1 3 . 1 1 5 5 THR CA C 5 58.400 58.400 59.027 -0.627 17870 56 1 3 . 1 1 5 5 THR CB C 5 77.070 77.070 69.289 7.781 17870 57 1 3 . 1 1 5 5 THR H H 5 8.670 8.670 8.202 0.468 17870 58 1 3 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.316 0.094 17870 59 1 3 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.785 -1.375 17870 60 1 3 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.607 1.643 17870 61 1 3 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.447 -0.327 17870 62 1 3 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.130 0.430 17870 63 1 3 . 1 1 7 7 LEU H H 7 8.190 8.190 7.927 0.263 17870 64 1 4 . 1 1 3 3 THR N N 3 114.800 114.800 115.787 -0.987 17870 65 1 4 . 1 1 3 3 THR HA H 3 4.500 4.500 4.908 -0.408 17870 66 1 4 . 1 1 3 3 THR CA C 3 61.800 61.800 61.946 -0.146 17870 67 1 4 . 1 1 3 3 THR CB C 3 70.040 70.040 71.272 -1.232 17870 68 1 4 . 1 1 3 3 THR H H 3 8.300 8.300 8.592 -0.292 17870 69 1 4 . 1 1 4 4 THR N N 4 115.600 115.600 113.582 2.018 17870 70 1 4 . 1 1 4 4 THR HA H 4 4.740 4.740 4.730 0.010 17870 71 1 4 . 1 1 4 4 THR CA C 4 59.810 59.810 61.013 -1.203 17870 72 1 4 . 1 1 4 4 THR CB C 4 79.330 79.330 71.126 8.204 17870 73 1 4 . 1 1 4 4 THR H H 4 8.510 8.510 8.510 -0.000 17870 74 1 4 . 1 1 5 5 THR N N 5 113.500 113.500 114.269 -0.769 17870 75 1 4 . 1 1 5 5 THR HA H 5 4.670 4.670 4.642 0.028 17870 76 1 4 . 1 1 5 5 THR CA C 5 58.400 58.400 59.163 -0.763 17870 77 1 4 . 1 1 5 5 THR CB C 5 77.070 77.070 68.705 8.365 17870 78 1 4 . 1 1 5 5 THR H H 5 8.670 8.670 7.993 0.677 17870 79 1 4 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.533 -0.123 17870 80 1 4 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.205 -0.795 17870 81 1 4 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.202 2.048 17870 82 1 4 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.547 -0.427 17870 83 1 4 . 1 1 7 7 LEU CA C 7 55.560 55.560 54.781 0.779 17870 84 1 4 . 1 1 7 7 LEU H H 7 8.190 8.190 7.949 0.241 17870 85 1 5 . 1 1 3 3 THR N N 3 114.800 114.800 115.017 -0.217 17870 86 1 5 . 1 1 3 3 THR HA H 3 4.500 4.500 4.941 -0.441 17870 87 1 5 . 1 1 3 3 THR CA C 3 61.800 61.800 61.945 -0.145 17870 88 1 5 . 1 1 3 3 THR CB C 3 70.040 70.040 71.712 -1.672 17870 89 1 5 . 1 1 3 3 THR H H 3 8.300 8.300 8.412 -0.112 17870 90 1 5 . 1 1 4 4 THR N N 4 115.600 115.600 114.304 1.296 17870 91 1 5 . 1 1 4 4 THR HA H 4 4.740 4.740 4.587 0.153 17870 92 1 5 . 1 1 4 4 THR CA C 4 59.810 59.810 61.150 -1.340 17870 93 1 5 . 1 1 4 4 THR CB C 4 79.330 79.330 70.237 9.093 17870 94 1 5 . 1 1 4 4 THR H H 4 8.510 8.510 8.020 0.490 17870 95 1 5 . 1 1 5 5 THR N N 5 113.500 113.500 112.990 0.510 17870 96 1 5 . 1 1 5 5 THR HA H 5 4.670 4.670 4.586 0.084 17870 97 1 5 . 1 1 5 5 THR CA C 5 58.400 58.400 58.919 -0.519 17870 98 1 5 . 1 1 5 5 THR CB C 5 77.070 77.070 68.697 8.373 17870 99 1 5 . 1 1 5 5 THR H H 5 8.670 8.670 8.090 0.580 17870 100 1 5 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.242 0.168 17870 101 1 5 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.117 -0.707 17870 102 1 5 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.404 1.846 17870 103 1 5 . 1 1 7 7 LEU HA H 7 4.120 4.120 3.896 0.224 17870 104 1 5 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.594 -0.034 17870 105 1 5 . 1 1 7 7 LEU H H 7 8.190 8.190 8.466 -0.276 17870 106 1 6 . 1 1 3 3 THR N N 3 114.800 114.800 115.625 -0.825 17870 107 1 6 . 1 1 3 3 THR HA H 3 4.500 4.500 4.628 -0.128 17870 108 1 6 . 1 1 3 3 THR CA C 3 61.800 61.800 62.773 -0.973 17870 109 1 6 . 1 1 3 3 THR CB C 3 70.040 70.040 69.694 0.346 17870 110 1 6 . 1 1 3 3 THR H H 3 8.300 8.300 8.279 0.021 17870 111 1 6 . 1 1 4 4 THR N N 4 115.600 115.600 117.974 -2.374 17870 112 1 6 . 1 1 4 4 THR HA H 4 4.740 4.740 4.750 -0.010 17870 113 1 6 . 1 1 4 4 THR CA C 4 59.810 59.810 61.272 -1.462 17870 114 1 6 . 1 1 4 4 THR CB C 4 79.330 79.330 69.582 9.748 17870 115 1 6 . 1 1 4 4 THR H H 4 8.510 8.510 8.317 0.193 17870 116 1 6 . 1 1 5 5 THR N N 5 113.500 113.500 115.205 -1.705 17870 117 1 6 . 1 1 5 5 THR HA H 5 4.670 4.670 4.734 -0.064 17870 118 1 6 . 1 1 5 5 THR CA C 5 58.400 58.400 59.434 -1.034 17870 119 1 6 . 1 1 5 5 THR CB C 5 77.070 77.070 68.994 8.076 17870 120 1 6 . 1 1 5 5 THR H H 5 8.670 8.670 7.946 0.724 17870 121 1 6 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.519 -0.109 17870 122 1 6 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.865 -0.455 17870 123 1 6 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.412 0.838 17870 124 1 6 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.291 -0.171 17870 125 1 6 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.001 0.559 17870 126 1 6 . 1 1 7 7 LEU H H 7 8.190 8.190 7.504 0.686 17870 127 1 7 . 1 1 3 3 THR N N 3 114.800 114.800 117.086 -2.286 17870 128 1 7 . 1 1 3 3 THR HA H 3 4.500 4.500 4.558 -0.058 17870 129 1 7 . 1 1 3 3 THR CA C 3 61.800 61.800 62.313 -0.513 17870 130 1 7 . 1 1 3 3 THR CB C 3 70.040 70.040 69.535 0.505 17870 131 1 7 . 1 1 3 3 THR H H 3 8.300 8.300 8.095 0.205 17870 132 1 7 . 1 1 4 4 THR N N 4 115.600 115.600 115.509 0.091 17870 133 1 7 . 1 1 4 4 THR HA H 4 4.740 4.740 4.553 0.187 17870 134 1 7 . 1 1 4 4 THR CA C 4 59.810 59.810 60.764 -0.954 17870 135 1 7 . 1 1 4 4 THR CB C 4 79.330 79.330 70.678 8.652 17870 136 1 7 . 1 1 4 4 THR H H 4 8.510 8.510 7.927 0.583 17870 137 1 7 . 1 1 5 5 THR N N 5 113.500 113.500 113.742 -0.242 17870 138 1 7 . 1 1 5 5 THR HA H 5 4.670 4.670 4.592 0.078 17870 139 1 7 . 1 1 5 5 THR CA C 5 58.400 58.400 59.534 -1.134 17870 140 1 7 . 1 1 5 5 THR CB C 5 77.070 77.070 68.906 8.164 17870 141 1 7 . 1 1 5 5 THR H H 5 8.670 8.670 8.026 0.644 17870 142 1 7 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.287 0.123 17870 143 1 7 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.475 -1.065 17870 144 1 7 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.276 0.974 17870 145 1 7 . 1 1 7 7 LEU HA H 7 4.120 4.120 3.874 0.246 17870 146 1 7 . 1 1 7 7 LEU CA C 7 55.560 55.560 57.021 -1.461 17870 147 1 7 . 1 1 7 7 LEU H H 7 8.190 8.190 8.129 0.061 17870 148 1 8 . 1 1 3 3 THR N N 3 114.800 114.800 118.460 -3.660 17870 149 1 8 . 1 1 3 3 THR HA H 3 4.500 4.500 4.519 -0.019 17870 150 1 8 . 1 1 3 3 THR CA C 3 61.800 61.800 61.912 -0.112 17870 151 1 8 . 1 1 3 3 THR CB C 3 70.040 70.040 69.686 0.354 17870 152 1 8 . 1 1 3 3 THR H H 3 8.300 8.300 8.105 0.195 17870 153 1 8 . 1 1 4 4 THR N N 4 115.600 115.600 116.259 -0.659 17870 154 1 8 . 1 1 4 4 THR HA H 4 4.740 4.740 4.523 0.217 17870 155 1 8 . 1 1 4 4 THR CA C 4 59.810 59.810 60.864 -1.054 17870 156 1 8 . 1 1 4 4 THR CB C 4 79.330 79.330 69.916 9.414 17870 157 1 8 . 1 1 4 4 THR H H 4 8.510 8.510 8.254 0.256 17870 158 1 8 . 1 1 5 5 THR N N 5 113.500 113.500 113.885 -0.385 17870 159 1 8 . 1 1 5 5 THR HA H 5 4.670 4.670 4.618 0.052 17870 160 1 8 . 1 1 5 5 THR CA C 5 58.400 58.400 59.608 -1.208 17870 161 1 8 . 1 1 5 5 THR CB C 5 77.070 77.070 68.932 8.138 17870 162 1 8 . 1 1 5 5 THR H H 5 8.670 8.670 8.059 0.611 17870 163 1 8 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.357 0.053 17870 164 1 8 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.261 -0.851 17870 165 1 8 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.577 0.673 17870 166 1 8 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.376 -0.256 17870 167 1 8 . 1 1 7 7 LEU CA C 7 55.560 55.560 54.228 1.332 17870 168 1 8 . 1 1 7 7 LEU H H 7 8.190 8.190 7.529 0.661 17870 169 1 9 . 1 1 3 3 THR N N 3 114.800 114.800 114.936 -0.136 17870 170 1 9 . 1 1 3 3 THR HA H 3 4.500 4.500 4.679 -0.179 17870 171 1 9 . 1 1 3 3 THR CA C 3 61.800 61.800 62.616 -0.816 17870 172 1 9 . 1 1 3 3 THR CB C 3 70.040 70.040 70.056 -0.016 17870 173 1 9 . 1 1 3 3 THR H H 3 8.300 8.300 8.361 -0.061 17870 174 1 9 . 1 1 4 4 THR N N 4 115.600 115.600 116.414 -0.814 17870 175 1 9 . 1 1 4 4 THR HA H 4 4.740 4.740 4.803 -0.063 17870 176 1 9 . 1 1 4 4 THR CA C 4 59.810 59.810 60.861 -1.051 17870 177 1 9 . 1 1 4 4 THR CB C 4 79.330 79.330 70.058 9.271 17870 178 1 9 . 1 1 4 4 THR H H 4 8.510 8.510 8.194 0.316 17870 179 1 9 . 1 1 5 5 THR N N 5 113.500 113.500 115.375 -1.875 17870 180 1 9 . 1 1 5 5 THR HA H 5 4.670 4.670 4.631 0.039 17870 181 1 9 . 1 1 5 5 THR CA C 5 58.400 58.400 60.360 -1.960 17870 182 1 9 . 1 1 5 5 THR CB C 5 77.070 77.070 68.779 8.291 17870 183 1 9 . 1 1 5 5 THR H H 5 8.670 8.670 8.044 0.626 17870 184 1 9 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.535 -0.125 17870 185 1 9 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.732 -0.322 17870 186 1 9 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.001 0.249 17870 187 1 9 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.376 -0.256 17870 188 1 9 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.207 0.353 17870 189 1 9 . 1 1 7 7 LEU H H 7 8.190 8.190 8.138 0.052 17870 190 1 10 . 1 1 3 3 THR N N 3 114.800 114.800 116.191 -1.391 17870 191 1 10 . 1 1 3 3 THR HA H 3 4.500 4.500 5.076 -0.576 17870 192 1 10 . 1 1 3 3 THR CA C 3 61.800 61.800 61.869 -0.069 17870 193 1 10 . 1 1 3 3 THR CB C 3 70.040 70.040 70.589 -0.549 17870 194 1 10 . 1 1 3 3 THR H H 3 8.300 8.300 8.673 -0.373 17870 195 1 10 . 1 1 4 4 THR N N 4 115.600 115.600 115.481 0.119 17870 196 1 10 . 1 1 4 4 THR HA H 4 4.740 4.740 4.661 0.079 17870 197 1 10 . 1 1 4 4 THR CA C 4 59.810 59.810 61.273 -1.464 17870 198 1 10 . 1 1 4 4 THR CB C 4 79.330 79.330 70.129 9.201 17870 199 1 10 . 1 1 4 4 THR H H 4 8.510 8.510 8.034 0.476 17870 200 1 10 . 1 1 5 5 THR N N 5 113.500 113.500 114.612 -1.112 17870 201 1 10 . 1 1 5 5 THR HA H 5 4.670 4.670 4.555 0.115 17870 202 1 10 . 1 1 5 5 THR CA C 5 58.400 58.400 59.871 -1.471 17870 203 1 10 . 1 1 5 5 THR CB C 5 77.070 77.070 68.856 8.214 17870 204 1 10 . 1 1 5 5 THR H H 5 8.670 8.670 8.100 0.570 17870 205 1 10 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.341 0.069 17870 206 1 10 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.320 -0.910 17870 207 1 10 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.965 0.285 17870 208 1 10 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.414 -0.294 17870 209 1 10 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.264 0.296 17870 210 1 10 . 1 1 7 7 LEU H H 7 8.190 8.190 7.900 0.290 17870 211 1 11 . 1 1 3 3 THR N N 3 114.800 114.800 117.842 -3.042 17870 212 1 11 . 1 1 3 3 THR HA H 3 4.500 4.500 4.497 0.003 17870 213 1 11 . 1 1 3 3 THR CA C 3 61.800 61.800 62.290 -0.490 17870 214 1 11 . 1 1 3 3 THR CB C 3 70.040 70.040 69.503 0.537 17870 215 1 11 . 1 1 3 3 THR H H 3 8.300 8.300 8.145 0.155 17870 216 1 11 . 1 1 4 4 THR N N 4 115.600 115.600 118.317 -2.717 17870 217 1 11 . 1 1 4 4 THR HA H 4 4.740 4.740 4.659 0.081 17870 218 1 11 . 1 1 4 4 THR CA C 4 59.810 59.810 60.708 -0.898 17870 219 1 11 . 1 1 4 4 THR CB C 4 79.330 79.330 70.499 8.831 17870 220 1 11 . 1 1 4 4 THR H H 4 8.510 8.510 8.242 0.268 17870 221 1 11 . 1 1 5 5 THR N N 5 113.500 113.500 114.384 -0.884 17870 222 1 11 . 1 1 5 5 THR HA H 5 4.670 4.670 4.717 -0.047 17870 223 1 11 . 1 1 5 5 THR CA C 5 58.400 58.400 59.368 -0.968 17870 224 1 11 . 1 1 5 5 THR CB C 5 77.070 77.070 68.728 8.342 17870 225 1 11 . 1 1 5 5 THR H H 5 8.670 8.670 8.136 0.534 17870 226 1 11 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.299 0.111 17870 227 1 11 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.780 -1.370 17870 228 1 11 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.053 2.196 17870 229 1 11 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.623 -0.503 17870 230 1 11 . 1 1 7 7 LEU CA C 7 55.560 55.560 54.949 0.611 17870 231 1 11 . 1 1 7 7 LEU H H 7 8.190 8.190 8.149 0.041 17870 232 1 12 . 1 1 3 3 THR N N 3 114.800 114.800 116.668 -1.868 17870 233 1 12 . 1 1 3 3 THR HA H 3 4.500 4.500 4.542 -0.042 17870 234 1 12 . 1 1 3 3 THR CA C 3 61.800 61.800 62.059 -0.259 17870 235 1 12 . 1 1 3 3 THR CB C 3 70.040 70.040 69.789 0.251 17870 236 1 12 . 1 1 3 3 THR H H 3 8.300 8.300 8.253 0.047 17870 237 1 12 . 1 1 4 4 THR N N 4 115.600 115.600 115.879 -0.279 17870 238 1 12 . 1 1 4 4 THR HA H 4 4.740 4.740 4.621 0.119 17870 239 1 12 . 1 1 4 4 THR CA C 4 59.810 59.810 60.707 -0.897 17870 240 1 12 . 1 1 4 4 THR CB C 4 79.330 79.330 70.011 9.319 17870 241 1 12 . 1 1 4 4 THR H H 4 8.510 8.510 8.089 0.421 17870 242 1 12 . 1 1 5 5 THR N N 5 113.500 113.500 114.221 -0.721 17870 243 1 12 . 1 1 5 5 THR HA H 5 4.670 4.670 4.609 0.061 17870 244 1 12 . 1 1 5 5 THR CA C 5 58.400 58.400 59.612 -1.212 17870 245 1 12 . 1 1 5 5 THR CB C 5 77.070 77.070 68.716 8.354 17870 246 1 12 . 1 1 5 5 THR H H 5 8.670 8.670 8.074 0.596 17870 247 1 12 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.335 0.075 17870 248 1 12 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.585 -0.175 17870 249 1 12 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.199 0.051 17870 250 1 12 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.218 -0.098 17870 251 1 12 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.431 0.129 17870 252 1 12 . 1 1 7 7 LEU H H 7 8.190 8.190 8.216 -0.026 17870 253 1 13 . 1 1 3 3 THR N N 3 114.800 114.800 117.333 -2.533 17870 254 1 13 . 1 1 3 3 THR HA H 3 4.500 4.500 4.643 -0.143 17870 255 1 13 . 1 1 3 3 THR CA C 3 61.800 61.800 62.722 -0.922 17870 256 1 13 . 1 1 3 3 THR CB C 3 70.040 70.040 70.238 -0.198 17870 257 1 13 . 1 1 3 3 THR H H 3 8.300 8.300 8.396 -0.096 17870 258 1 13 . 1 1 4 4 THR N N 4 115.600 115.600 117.034 -1.434 17870 259 1 13 . 1 1 4 4 THR HA H 4 4.740 4.740 4.665 0.075 17870 260 1 13 . 1 1 4 4 THR CA C 4 59.810 59.810 60.562 -0.752 17870 261 1 13 . 1 1 4 4 THR CB C 4 79.330 79.330 70.374 8.956 17870 262 1 13 . 1 1 4 4 THR H H 4 8.510 8.510 8.170 0.340 17870 263 1 13 . 1 1 5 5 THR N N 5 113.500 113.500 115.618 -2.118 17870 264 1 13 . 1 1 5 5 THR HA H 5 4.670 4.670 4.598 0.072 17870 265 1 13 . 1 1 5 5 THR CA C 5 58.400 58.400 60.161 -1.761 17870 266 1 13 . 1 1 5 5 THR CB C 5 77.070 77.070 68.828 8.242 17870 267 1 13 . 1 1 5 5 THR H H 5 8.670 8.670 8.139 0.531 17870 268 1 13 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.390 0.020 17870 269 1 13 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.966 -0.556 17870 270 1 13 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.729 0.521 17870 271 1 13 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.377 -0.257 17870 272 1 13 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.068 0.492 17870 273 1 13 . 1 1 7 7 LEU H H 7 8.190 8.190 8.401 -0.211 17870 274 1 14 . 1 1 3 3 THR N N 3 114.800 114.800 117.417 -2.617 17870 275 1 14 . 1 1 3 3 THR HA H 3 4.500 4.500 4.589 -0.089 17870 276 1 14 . 1 1 3 3 THR CA C 3 61.800 61.800 62.054 -0.254 17870 277 1 14 . 1 1 3 3 THR CB C 3 70.040 70.040 69.863 0.177 17870 278 1 14 . 1 1 3 3 THR H H 3 8.300 8.300 8.340 -0.040 17870 279 1 14 . 1 1 4 4 THR N N 4 115.600 115.600 115.382 0.218 17870 280 1 14 . 1 1 4 4 THR HA H 4 4.740 4.740 4.692 0.048 17870 281 1 14 . 1 1 4 4 THR CA C 4 59.810 59.810 60.893 -1.083 17870 282 1 14 . 1 1 4 4 THR CB C 4 79.330 79.330 70.590 8.740 17870 283 1 14 . 1 1 4 4 THR H H 4 8.510 8.510 8.268 0.242 17870 284 1 14 . 1 1 5 5 THR N N 5 113.500 113.500 114.533 -1.033 17870 285 1 14 . 1 1 5 5 THR HA H 5 4.670 4.670 4.725 -0.055 17870 286 1 14 . 1 1 5 5 THR CA C 5 58.400 58.400 59.891 -1.491 17870 287 1 14 . 1 1 5 5 THR CB C 5 77.070 77.070 69.040 8.030 17870 288 1 14 . 1 1 5 5 THR H H 5 8.670 8.670 8.145 0.525 17870 289 1 14 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.318 0.092 17870 290 1 14 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.524 -1.114 17870 291 1 14 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.231 1.019 17870 292 1 14 . 1 1 7 7 LEU HA H 7 4.120 4.120 3.864 0.256 17870 293 1 14 . 1 1 7 7 LEU CA C 7 55.560 55.560 56.748 -1.188 17870 294 1 14 . 1 1 7 7 LEU H H 7 8.190 8.190 8.250 -0.060 17870 295 1 15 . 1 1 3 3 THR N N 3 114.800 114.800 114.255 0.545 17870 296 1 15 . 1 1 3 3 THR HA H 3 4.500 4.500 4.998 -0.498 17870 297 1 15 . 1 1 3 3 THR CA C 3 61.800 61.800 62.036 -0.236 17870 298 1 15 . 1 1 3 3 THR CB C 3 70.040 70.040 69.997 0.043 17870 299 1 15 . 1 1 3 3 THR H H 3 8.300 8.300 8.663 -0.363 17870 300 1 15 . 1 1 4 4 THR N N 4 115.600 115.600 113.542 2.058 17870 301 1 15 . 1 1 4 4 THR HA H 4 4.740 4.740 4.545 0.195 17870 302 1 15 . 1 1 4 4 THR CA C 4 59.810 59.810 61.262 -1.452 17870 303 1 15 . 1 1 4 4 THR CB C 4 79.330 79.330 70.735 8.595 17870 304 1 15 . 1 1 4 4 THR H H 4 8.510 8.510 8.096 0.414 17870 305 1 15 . 1 1 5 5 THR N N 5 113.500 113.500 113.351 0.149 17870 306 1 15 . 1 1 5 5 THR HA H 5 4.670 4.670 4.672 -0.002 17870 307 1 15 . 1 1 5 5 THR CA C 5 58.400 58.400 59.204 -0.804 17870 308 1 15 . 1 1 5 5 THR CB C 5 77.070 77.070 68.731 8.339 17870 309 1 15 . 1 1 5 5 THR H H 5 8.670 8.670 8.039 0.631 17870 310 1 15 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.290 0.120 17870 311 1 15 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.870 -1.460 17870 312 1 15 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.213 2.037 17870 313 1 15 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.672 -0.552 17870 314 1 15 . 1 1 7 7 LEU CA C 7 55.560 55.560 54.848 0.712 17870 315 1 15 . 1 1 7 7 LEU H H 7 8.190 8.190 8.250 -0.060 17870 316 1 16 . 1 1 3 3 THR N N 3 114.800 114.800 118.481 -3.681 17870 317 1 16 . 1 1 3 3 THR HA H 3 4.500 4.500 4.488 0.012 17870 318 1 16 . 1 1 3 3 THR CA C 3 61.800 61.800 62.159 -0.359 17870 319 1 16 . 1 1 3 3 THR CB C 3 70.040 70.040 69.779 0.261 17870 320 1 16 . 1 1 3 3 THR H H 3 8.300 8.300 7.924 0.376 17870 321 1 16 . 1 1 4 4 THR N N 4 115.600 115.600 119.168 -3.568 17870 322 1 16 . 1 1 4 4 THR HA H 4 4.740 4.740 4.610 0.130 17870 323 1 16 . 1 1 4 4 THR CA C 4 59.810 59.810 60.968 -1.158 17870 324 1 16 . 1 1 4 4 THR CB C 4 79.330 79.330 70.120 9.210 17870 325 1 16 . 1 1 4 4 THR H H 4 8.510 8.510 8.308 0.202 17870 326 1 16 . 1 1 5 5 THR N N 5 113.500 113.500 114.055 -0.555 17870 327 1 16 . 1 1 5 5 THR HA H 5 4.670 4.670 4.636 0.034 17870 328 1 16 . 1 1 5 5 THR CA C 5 58.400 58.400 59.286 -0.886 17870 329 1 16 . 1 1 5 5 THR CB C 5 77.070 77.070 68.685 8.385 17870 330 1 16 . 1 1 5 5 THR H H 5 8.670 8.670 8.087 0.583 17870 331 1 16 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.295 0.115 17870 332 1 16 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.508 -1.098 17870 333 1 16 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.906 1.344 17870 334 1 16 . 1 1 7 7 LEU HA H 7 4.120 4.120 3.821 0.299 17870 335 1 16 . 1 1 7 7 LEU CA C 7 55.560 55.560 56.877 -1.317 17870 336 1 16 . 1 1 7 7 LEU H H 7 8.190 8.190 8.045 0.145 17870 337 1 17 . 1 1 3 3 THR N N 3 114.800 114.800 116.234 -1.434 17870 338 1 17 . 1 1 3 3 THR HA H 3 4.500 4.500 4.633 -0.133 17870 339 1 17 . 1 1 3 3 THR CA C 3 61.800 61.800 62.629 -0.829 17870 340 1 17 . 1 1 3 3 THR CB C 3 70.040 70.040 69.500 0.540 17870 341 1 17 . 1 1 3 3 THR H H 3 8.300 8.300 8.255 0.045 17870 342 1 17 . 1 1 4 4 THR N N 4 115.600 115.600 117.852 -2.252 17870 343 1 17 . 1 1 4 4 THR HA H 4 4.740 4.740 4.789 -0.049 17870 344 1 17 . 1 1 4 4 THR CA C 4 59.810 59.810 60.760 -0.950 17870 345 1 17 . 1 1 4 4 THR CB C 4 79.330 79.330 69.701 9.629 17870 346 1 17 . 1 1 4 4 THR H H 4 8.510 8.510 8.281 0.229 17870 347 1 17 . 1 1 5 5 THR N N 5 113.500 113.500 114.962 -1.462 17870 348 1 17 . 1 1 5 5 THR HA H 5 4.670 4.670 4.684 -0.014 17870 349 1 17 . 1 1 5 5 THR CA C 5 58.400 58.400 60.033 -1.633 17870 350 1 17 . 1 1 5 5 THR CB C 5 77.070 77.070 68.418 8.652 17870 351 1 17 . 1 1 5 5 THR H H 5 8.670 8.670 8.001 0.669 17870 352 1 17 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.502 -0.092 17870 353 1 17 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.748 -0.338 17870 354 1 17 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.058 0.192 17870 355 1 17 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.352 -0.232 17870 356 1 17 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.180 0.380 17870 357 1 17 . 1 1 7 7 LEU H H 7 8.190 8.190 8.164 0.026 17870 358 1 18 . 1 1 3 3 THR N N 3 114.800 114.800 116.238 -1.438 17870 359 1 18 . 1 1 3 3 THR HA H 3 4.500 4.500 4.628 -0.128 17870 360 1 18 . 1 1 3 3 THR CA C 3 61.800 61.800 61.827 -0.027 17870 361 1 18 . 1 1 3 3 THR CB C 3 70.040 70.040 69.543 0.497 17870 362 1 18 . 1 1 3 3 THR H H 3 8.300 8.300 8.150 0.150 17870 363 1 18 . 1 1 4 4 THR N N 4 115.600 115.600 119.541 -3.941 17870 364 1 18 . 1 1 4 4 THR HA H 4 4.740 4.740 4.540 0.200 17870 365 1 18 . 1 1 4 4 THR CA C 4 59.810 59.810 60.838 -1.028 17870 366 1 18 . 1 1 4 4 THR CB C 4 79.330 79.330 69.908 9.422 17870 367 1 18 . 1 1 4 4 THR H H 4 8.510 8.510 8.446 0.064 17870 368 1 18 . 1 1 5 5 THR N N 5 113.500 113.500 114.426 -0.926 17870 369 1 18 . 1 1 5 5 THR HA H 5 4.670 4.670 4.593 0.077 17870 370 1 18 . 1 1 5 5 THR CA C 5 58.400 58.400 59.739 -1.339 17870 371 1 18 . 1 1 5 5 THR CB C 5 77.070 77.070 68.296 8.774 17870 372 1 18 . 1 1 5 5 THR H H 5 8.670 8.670 8.045 0.625 17870 373 1 18 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.360 0.050 17870 374 1 18 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.371 -0.961 17870 375 1 18 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.012 0.238 17870 376 1 18 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.341 -0.221 17870 377 1 18 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.780 -0.220 17870 378 1 18 . 1 1 7 7 LEU H H 7 8.190 8.190 8.050 0.140 17870 379 1 19 . 1 1 3 3 THR N N 3 114.800 114.800 118.845 -4.045 17870 380 1 19 . 1 1 3 3 THR HA H 3 4.500 4.500 4.592 -0.092 17870 381 1 19 . 1 1 3 3 THR CA C 3 61.800 61.800 62.693 -0.893 17870 382 1 19 . 1 1 3 3 THR CB C 3 70.040 70.040 69.605 0.435 17870 383 1 19 . 1 1 3 3 THR H H 3 8.300 8.300 8.462 -0.162 17870 384 1 19 . 1 1 4 4 THR N N 4 115.600 115.600 116.831 -1.231 17870 385 1 19 . 1 1 4 4 THR HA H 4 4.740 4.740 4.601 0.139 17870 386 1 19 . 1 1 4 4 THR CA C 4 59.810 59.810 60.582 -0.772 17870 387 1 19 . 1 1 4 4 THR CB C 4 79.330 79.330 70.743 8.588 17870 388 1 19 . 1 1 4 4 THR H H 4 8.510 8.510 7.981 0.529 17870 389 1 19 . 1 1 5 5 THR N N 5 113.500 113.500 114.854 -1.354 17870 390 1 19 . 1 1 5 5 THR HA H 5 4.670 4.670 4.640 0.030 17870 391 1 19 . 1 1 5 5 THR CA C 5 58.400 58.400 59.763 -1.363 17870 392 1 19 . 1 1 5 5 THR CB C 5 77.070 77.070 68.754 8.316 17870 393 1 19 . 1 1 5 5 THR H H 5 8.670 8.670 8.049 0.621 17870 394 1 19 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.367 0.043 17870 395 1 19 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.347 -0.937 17870 396 1 19 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.195 0.055 17870 397 1 19 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.366 -0.246 17870 398 1 19 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.149 0.411 17870 399 1 19 . 1 1 7 7 LEU H H 7 8.190 8.190 8.025 0.165 17870 400 1 20 . 1 1 3 3 THR N N 3 114.800 114.800 116.183 -1.383 17870 401 1 20 . 1 1 3 3 THR HA H 3 4.500 4.500 4.538 -0.038 17870 402 1 20 . 1 1 3 3 THR CA C 3 61.800 61.800 61.955 -0.155 17870 403 1 20 . 1 1 3 3 THR CB C 3 70.040 70.040 69.548 0.492 17870 404 1 20 . 1 1 3 3 THR H H 3 8.300 8.300 8.200 0.100 17870 405 1 20 . 1 1 4 4 THR N N 4 115.600 115.600 118.526 -2.926 17870 406 1 20 . 1 1 4 4 THR HA H 4 4.740 4.740 4.618 0.122 17870 407 1 20 . 1 1 4 4 THR CA C 4 59.810 59.810 60.850 -1.040 17870 408 1 20 . 1 1 4 4 THR CB C 4 79.330 79.330 69.947 9.383 17870 409 1 20 . 1 1 4 4 THR H H 4 8.510 8.510 8.215 0.295 17870 410 1 20 . 1 1 5 5 THR N N 5 113.500 113.500 114.559 -1.059 17870 411 1 20 . 1 1 5 5 THR HA H 5 4.670 4.670 4.609 0.061 17870 412 1 20 . 1 1 5 5 THR CA C 5 58.400 58.400 59.930 -1.530 17870 413 1 20 . 1 1 5 5 THR CB C 5 77.070 77.070 68.558 8.512 17870 414 1 20 . 1 1 5 5 THR H H 5 8.670 8.670 8.119 0.551 17870 415 1 20 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.309 0.101 17870 416 1 20 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.715 -0.305 17870 417 1 20 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.232 0.018 17870 418 1 20 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.213 -0.094 17870 419 1 20 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.368 0.192 17870 420 1 20 . 1 1 7 7 LEU H H 7 8.190 8.190 8.253 -0.063 17870 421 1 21 . 1 1 3 3 THR N N 3 114.800 114.800 116.296 -1.496 17870 422 1 21 . 1 1 3 3 THR HA H 3 4.500 4.500 4.663 -0.163 17870 423 1 21 . 1 1 3 3 THR CA C 3 61.800 61.800 62.059 -0.259 17870 424 1 21 . 1 1 3 3 THR CB C 3 70.040 70.040 69.010 1.030 17870 425 1 21 . 1 1 3 3 THR H H 3 8.300 8.300 8.283 0.017 17870 426 1 21 . 1 1 4 4 THR N N 4 115.600 115.600 118.982 -3.382 17870 427 1 21 . 1 1 4 4 THR HA H 4 4.740 4.740 4.592 0.148 17870 428 1 21 . 1 1 4 4 THR CA C 4 59.810 59.810 61.011 -1.201 17870 429 1 21 . 1 1 4 4 THR CB C 4 79.330 79.330 70.578 8.752 17870 430 1 21 . 1 1 4 4 THR H H 4 8.510 8.510 8.111 0.399 17870 431 1 21 . 1 1 5 5 THR N N 5 113.500 113.500 113.902 -0.402 17870 432 1 21 . 1 1 5 5 THR HA H 5 4.670 4.670 4.634 0.036 17870 433 1 21 . 1 1 5 5 THR CA C 5 58.400 58.400 59.750 -1.350 17870 434 1 21 . 1 1 5 5 THR CB C 5 77.070 77.070 68.921 8.149 17870 435 1 21 . 1 1 5 5 THR H H 5 8.670 8.670 8.055 0.615 17870 436 1 21 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.322 0.088 17870 437 1 21 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.182 -0.772 17870 438 1 21 . 1 1 6 6 PRO CB C 6 32.250 32.250 32.119 0.131 17870 439 1 21 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.248 -0.128 17870 440 1 21 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.795 -0.235 17870 441 1 21 . 1 1 7 7 LEU H H 7 8.190 8.190 8.228 -0.038 17870 442 1 22 . 1 1 3 3 THR N N 3 114.800 114.800 114.247 0.553 17870 443 1 22 . 1 1 3 3 THR HA H 3 4.500 4.500 4.615 -0.115 17870 444 1 22 . 1 1 3 3 THR CA C 3 61.800 61.800 61.845 -0.045 17870 445 1 22 . 1 1 3 3 THR CB C 3 70.040 70.040 69.505 0.535 17870 446 1 22 . 1 1 3 3 THR H H 3 8.300 8.300 8.216 0.084 17870 447 1 22 . 1 1 4 4 THR N N 4 115.600 115.600 115.102 0.498 17870 448 1 22 . 1 1 4 4 THR HA H 4 4.740 4.740 4.636 0.104 17870 449 1 22 . 1 1 4 4 THR CA C 4 59.810 59.810 61.183 -1.373 17870 450 1 22 . 1 1 4 4 THR CB C 4 79.330 79.330 69.892 9.438 17870 451 1 22 . 1 1 4 4 THR H H 4 8.510 8.510 7.751 0.759 17870 452 1 22 . 1 1 5 5 THR N N 5 113.500 113.500 114.194 -0.694 17870 453 1 22 . 1 1 5 5 THR HA H 5 4.670 4.670 4.598 0.072 17870 454 1 22 . 1 1 5 5 THR CA C 5 58.400 58.400 59.850 -1.450 17870 455 1 22 . 1 1 5 5 THR CB C 5 77.070 77.070 68.499 8.571 17870 456 1 22 . 1 1 5 5 THR H H 5 8.670 8.670 8.028 0.642 17870 457 1 22 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.406 0.004 17870 458 1 22 . 1 1 6 6 PRO CA C 6 62.410 62.410 62.986 -0.576 17870 459 1 22 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.919 0.331 17870 460 1 22 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.383 -0.263 17870 461 1 22 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.096 0.465 17870 462 1 22 . 1 1 7 7 LEU H H 7 8.190 8.190 8.428 -0.238 17870 463 1 23 . 1 1 3 3 THR N N 3 114.800 114.800 114.734 0.066 17870 464 1 23 . 1 1 3 3 THR HA H 3 4.500 4.500 4.983 -0.483 17870 465 1 23 . 1 1 3 3 THR CA C 3 61.800 61.800 61.564 0.236 17870 466 1 23 . 1 1 3 3 THR CB C 3 70.040 70.040 69.987 0.053 17870 467 1 23 . 1 1 3 3 THR H H 3 8.300 8.300 8.748 -0.448 17870 468 1 23 . 1 1 4 4 THR N N 4 115.600 115.600 115.778 -0.178 17870 469 1 23 . 1 1 4 4 THR HA H 4 4.740 4.740 4.636 0.104 17870 470 1 23 . 1 1 4 4 THR CA C 4 59.810 59.810 61.130 -1.320 17870 471 1 23 . 1 1 4 4 THR CB C 4 79.330 79.330 70.467 8.863 17870 472 1 23 . 1 1 4 4 THR H H 4 8.510 8.510 8.157 0.353 17870 473 1 23 . 1 1 5 5 THR N N 5 113.500 113.500 114.016 -0.516 17870 474 1 23 . 1 1 5 5 THR HA H 5 4.670 4.670 4.644 0.026 17870 475 1 23 . 1 1 5 5 THR CA C 5 58.400 58.400 59.836 -1.436 17870 476 1 23 . 1 1 5 5 THR CB C 5 77.070 77.070 68.570 8.500 17870 477 1 23 . 1 1 5 5 THR H H 5 8.670 8.670 8.150 0.520 17870 478 1 23 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.278 0.132 17870 479 1 23 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.360 -0.950 17870 480 1 23 . 1 1 6 6 PRO CB C 6 32.250 32.250 30.832 1.418 17870 481 1 23 . 1 1 7 7 LEU HA H 7 4.120 4.120 3.891 0.229 17870 482 1 23 . 1 1 7 7 LEU CA C 7 55.560 55.560 56.934 -1.374 17870 483 1 23 . 1 1 7 7 LEU H H 7 8.190 8.190 8.128 0.062 17870 484 1 24 . 1 1 3 3 THR N N 3 114.800 114.800 117.236 -2.436 17870 485 1 24 . 1 1 3 3 THR HA H 3 4.500 4.500 4.776 -0.276 17870 486 1 24 . 1 1 3 3 THR CA C 3 61.800 61.800 61.797 0.003 17870 487 1 24 . 1 1 3 3 THR CB C 3 70.040 70.040 70.458 -0.418 17870 488 1 24 . 1 1 3 3 THR H H 3 8.300 8.300 8.394 -0.094 17870 489 1 24 . 1 1 4 4 THR N N 4 115.600 115.600 114.249 1.351 17870 490 1 24 . 1 1 4 4 THR HA H 4 4.740 4.740 4.470 0.270 17870 491 1 24 . 1 1 4 4 THR CA C 4 59.810 59.810 60.768 -0.958 17870 492 1 24 . 1 1 4 4 THR CB C 4 79.330 79.330 69.859 9.471 17870 493 1 24 . 1 1 4 4 THR H H 4 8.510 8.510 8.086 0.424 17870 494 1 24 . 1 1 5 5 THR N N 5 113.500 113.500 113.389 0.111 17870 495 1 24 . 1 1 5 5 THR HA H 5 4.670 4.670 4.605 0.065 17870 496 1 24 . 1 1 5 5 THR CA C 5 58.400 58.400 59.620 -1.220 17870 497 1 24 . 1 1 5 5 THR CB C 5 77.070 77.070 69.116 7.954 17870 498 1 24 . 1 1 5 5 THR H H 5 8.670 8.670 8.050 0.620 17870 499 1 24 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.358 0.052 17870 500 1 24 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.358 -0.948 17870 501 1 24 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.654 0.596 17870 502 1 24 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.396 -0.276 17870 503 1 24 . 1 1 7 7 LEU CA C 7 55.560 55.560 54.284 1.276 17870 504 1 24 . 1 1 7 7 LEU H H 7 8.190 8.190 7.596 0.594 17870 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 3 1.799 1.200 1.642 17870 2 1 1 "Average Difference" HA 5 0.210 -0.034 0.232 17870 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17870 4 1 1 "Average Difference" CA 5 1.136 0.946 0.703 17870 5 1 1 "Average Difference" CB 4 6.130 -4.077 5.285 17870 6 1 1 "Average Difference" HN 4 0.423 -0.205 0.427 17870 7 1 2 "Average Difference" N 3 0.830 -0.583 0.723 17870 8 1 2 "Average Difference" HA 5 0.266 0.086 0.281 17870 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17870 10 1 2 "Average Difference" CA 5 1.275 0.560 1.281 17870 11 1 2 "Average Difference" CB 4 6.645 -4.836 5.263 17870 12 1 2 "Average Difference" HN 4 0.344 -0.301 0.192 17870 13 1 3 "Average Difference" N 3 0.924 0.785 0.597 17870 14 1 3 "Average Difference" HA 5 0.157 0.056 0.164 17870 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17870 16 1 3 "Average Difference" CA 5 1.036 0.655 0.897 17870 17 1 3 "Average Difference" CB 4 5.865 -4.387 4.494 17870 18 1 3 "Average Difference" HN 4 0.307 -0.286 0.128 17870 19 1 4 "Average Difference" N 3 1.371 -0.087 1.676 17870 20 1 4 "Average Difference" HA 5 0.270 0.184 0.221 17870 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17870 22 1 4 "Average Difference" CA 5 0.811 0.426 0.772 17870 23 1 4 "Average Difference" CB 4 5.979 -4.346 4.741 17870 24 1 4 "Average Difference" HN 4 0.388 -0.157 0.410 17870 25 1 5 "Average Difference" N 3 0.814 -0.530 0.757 17870 26 1 5 "Average Difference" HA 5 0.246 -0.037 0.272 17870 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17870 28 1 5 "Average Difference" CA 5 0.719 0.549 0.520 17870 29 1 5 "Average Difference" CB 4 6.304 -4.410 5.202 17870 30 1 5 "Average Difference" HN 4 0.408 -0.171 0.428 17870 31 1 6 "Average Difference" N 3 1.753 1.635 0.777 17870 32 1 6 "Average Difference" HA 5 0.111 0.097 0.062 17870 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17870 34 1 6 "Average Difference" CA 5 0.967 0.673 0.776 17870 35 1 6 "Average Difference" CB 4 6.346 -4.752 4.856 17870 36 1 6 "Average Difference" HN 4 0.508 -0.406 0.353 17870 37 1 7 "Average Difference" N 3 1.328 0.812 1.287 17870 38 1 7 "Average Difference" HA 5 0.155 -0.115 0.116 17870 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17870 40 1 7 "Average Difference" CA 5 1.070 1.025 0.343 17870 41 1 7 "Average Difference" CB 4 5.973 -4.574 4.436 17870 42 1 7 "Average Difference" HN 4 0.447 -0.373 0.285 17870 43 1 8 "Average Difference" N 3 2.159 1.568 1.817 17870 44 1 8 "Average Difference" HA 5 0.154 -0.009 0.172 17870 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17870 46 1 8 "Average Difference" CA 5 1.008 0.378 1.044 17870 47 1 8 "Average Difference" CB 4 6.234 -4.645 4.801 17870 48 1 8 "Average Difference" HN 4 0.478 -0.431 0.239 17870 49 1 9 "Average Difference" N 3 1.183 0.942 0.877 17870 50 1 9 "Average Difference" HA 5 0.154 0.117 0.112 17870 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17870 52 1 9 "Average Difference" CA 5 1.081 0.759 0.860 17870 53 1 9 "Average Difference" CB 4 6.220 -4.449 5.020 17870 54 1 9 "Average Difference" HN 4 0.353 -0.233 0.306 17870 55 1 10 "Average Difference" N 3 1.030 0.795 0.803 17870 56 1 10 "Average Difference" HA 5 0.297 0.121 0.303 17870 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17870 58 1 10 "Average Difference" CA 5 1.022 0.724 0.808 17870 59 1 10 "Average Difference" CB 4 6.175 -4.288 5.131 17870 60 1 10 "Average Difference" HN 4 0.440 -0.241 0.426 17870 61 1 11 "Average Difference" N 3 2.410 2.214 1.164 17870 62 1 11 "Average Difference" HA 5 0.234 0.071 0.250 17870 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17870 64 1 11 "Average Difference" CA 5 0.920 0.623 0.757 17870 65 1 11 "Average Difference" CB 4 6.178 -4.977 4.228 17870 66 1 11 "Average Difference" HN 4 0.310 -0.250 0.211 17870 67 1 12 "Average Difference" N 3 1.167 0.956 0.820 17870 68 1 12 "Average Difference" HA 5 0.084 -0.023 0.090 17870 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17870 70 1 12 "Average Difference" CA 5 0.691 0.483 0.553 17870 71 1 12 "Average Difference" CB 4 6.259 -4.494 5.031 17870 72 1 12 "Average Difference" HN 4 0.366 -0.259 0.297 17870 73 1 13 "Average Difference" N 3 2.078 2.028 0.555 17870 74 1 13 "Average Difference" HA 5 0.140 0.047 0.147 17870 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17870 76 1 13 "Average Difference" CA 5 1.007 0.700 0.809 17870 77 1 13 "Average Difference" CB 4 6.092 -4.380 4.889 17870 78 1 13 "Average Difference" HN 4 0.336 -0.141 0.352 17870 79 1 14 "Average Difference" N 3 1.629 1.144 1.421 17870 80 1 14 "Average Difference" HA 5 0.132 -0.050 0.137 17870 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17870 82 1 14 "Average Difference" CA 5 1.106 1.026 0.461 17870 83 1 14 "Average Difference" CB 4 5.957 -4.492 4.519 17870 84 1 14 "Average Difference" HN 4 0.291 -0.167 0.276 17870 85 1 15 "Average Difference" N 3 1.232 -0.917 1.007 17870 86 1 15 "Average Difference" HA 5 0.348 0.147 0.352 17870 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17870 88 1 15 "Average Difference" CA 5 1.044 0.648 0.915 17870 89 1 15 "Average Difference" CB 4 6.074 -4.754 4.366 17870 90 1 15 "Average Difference" HN 4 0.420 -0.156 0.450 17870 91 1 16 "Average Difference" N 3 2.977 2.601 1.773 17870 92 1 16 "Average Difference" HA 5 0.155 -0.118 0.113 17870 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17870 94 1 16 "Average Difference" CA 5 1.019 0.964 0.372 17870 95 1 16 "Average Difference" CB 4 6.265 -4.800 4.649 17870 96 1 16 "Average Difference" HN 4 0.369 -0.326 0.197 17870 97 1 17 "Average Difference" N 3 1.757 1.716 0.464 17870 98 1 17 "Average Difference" HA 5 0.128 0.104 0.084 17870 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17870 100 1 17 "Average Difference" CA 5 0.950 0.674 0.749 17870 101 1 17 "Average Difference" CB 4 6.479 -4.753 5.084 17870 102 1 17 "Average Difference" HN 4 0.354 -0.242 0.299 17870 103 1 18 "Average Difference" N 3 2.480 2.102 1.613 17870 104 1 18 "Average Difference" HA 5 0.151 0.004 0.168 17870 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17870 106 1 18 "Average Difference" CA 5 0.874 0.715 0.562 17870 107 1 18 "Average Difference" CB 4 6.443 -4.733 5.049 17870 108 1 18 "Average Difference" HN 4 0.330 -0.245 0.256 17870 109 1 19 "Average Difference" N 3 2.563 2.210 1.590 17870 110 1 19 "Average Difference" HA 5 0.135 0.025 0.148 17870 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17870 112 1 19 "Average Difference" CA 5 0.927 0.711 0.665 17870 113 1 19 "Average Difference" CB 4 5.981 -4.348 4.742 17870 114 1 19 "Average Difference" HN 4 0.424 -0.288 0.359 17870 115 1 20 "Average Difference" N 3 1.966 1.789 0.998 17870 116 1 20 "Average Difference" HA 5 0.088 -0.030 0.093 17870 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17870 118 1 20 "Average Difference" CA 5 0.846 0.568 0.701 17870 119 1 20 "Average Difference" CB 4 6.339 -4.601 5.035 17870 120 1 20 "Average Difference" HN 4 0.318 -0.221 0.264 17870 121 1 21 "Average Difference" N 3 2.148 1.760 1.507 17870 122 1 21 "Average Difference" HA 5 0.121 0.004 0.136 17870 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 17870 124 1 21 "Average Difference" CA 5 0.893 0.764 0.517 17870 125 1 21 "Average Difference" CB 4 6.002 -4.516 4.565 17870 126 1 21 "Average Difference" HN 4 0.367 -0.248 0.312 17870 127 1 22 "Average Difference" N 3 0.587 -0.119 0.705 17870 128 1 22 "Average Difference" HA 5 0.140 0.040 0.150 17870 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 17870 130 1 22 "Average Difference" CA 5 0.952 0.596 0.831 17870 131 1 22 "Average Difference" CB 4 6.382 -4.719 4.962 17870 132 1 22 "Average Difference" HN 4 0.513 -0.312 0.470 17870 133 1 23 "Average Difference" N 3 0.317 0.209 0.292 17870 134 1 23 "Average Difference" HA 5 0.251 -0.002 0.281 17870 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 17870 136 1 23 "Average Difference" CA 5 1.153 0.969 0.700 17870 137 1 23 "Average Difference" CB 4 6.181 -4.708 4.624 17870 138 1 23 "Average Difference" HN 4 0.387 -0.122 0.424 17870 139 1 24 "Average Difference" N 3 1.610 0.325 1.931 17870 140 1 24 "Average Difference" HA 5 0.215 0.033 0.238 17870 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 17870 142 1 24 "Average Difference" CA 5 0.993 0.369 1.031 17870 143 1 24 "Average Difference" CB 4 6.194 -4.401 5.034 17870 144 1 24 "Average Difference" HN 4 0.481 -0.386 0.331 17870 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 17870 _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 3 3 THR N N 3 114.800 114.800 116.308 -1.508 17870 2 1 . 1 1 3 3 THR HA H 3 4.500 4.500 4.702 -0.202 17870 3 1 . 1 1 3 3 THR CA C 3 61.800 61.800 62.068 -0.268 17870 4 1 . 1 1 3 3 THR CB C 3 70.040 70.040 70.104 -0.065 17870 5 1 . 1 1 3 3 THR H H 3 8.300 8.300 8.329 -0.029 17870 6 1 . 1 1 4 4 THR N N 4 115.600 115.600 116.374 -0.774 17870 7 1 . 1 1 4 4 THR HA H 4 4.740 4.740 4.634 0.106 17870 8 1 . 1 1 4 4 THR CA C 4 59.810 59.810 60.966 -1.156 17870 9 1 . 1 1 4 4 THR CB C 4 79.330 79.330 70.244 9.086 17870 10 1 . 1 1 4 4 THR H H 4 8.510 8.510 8.163 0.347 17870 11 1 . 1 1 5 5 THR N N 5 113.500 113.500 114.287 -0.787 17870 12 1 . 1 1 5 5 THR HA H 5 4.670 4.670 4.633 0.037 17870 13 1 . 1 1 5 5 THR CA C 5 58.400 58.400 59.644 -1.244 17870 14 1 . 1 1 5 5 THR CB C 5 77.070 77.070 68.764 8.306 17870 15 1 . 1 1 5 5 THR H H 5 8.670 8.670 8.073 0.597 17870 16 1 . 1 1 6 6 PRO HA H 6 4.410 4.410 4.356 0.054 17870 17 1 . 1 1 6 6 PRO CA C 6 62.410 62.410 63.271 -0.861 17870 18 1 . 1 1 6 6 PRO CB C 6 32.250 32.250 31.338 0.912 17870 19 1 . 1 1 7 7 LEU HA H 7 4.120 4.120 4.266 -0.146 17870 20 1 . 1 1 7 7 LEU CA C 7 55.560 55.560 55.470 0.090 17870 21 1 . 1 1 7 7 LEU H H 7 8.190 8.190 8.077 0.113 17870 stop_ save_