data_17872 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17872 _Entry.PDB_ID 2LHZ 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 17872 _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 3 113.600 113.600 113.543 0.057 17872 2 1 1 . 1 1 3 3 THR HA H 3 4.720 4.720 5.045 -0.325 17872 3 1 1 . 1 1 3 3 THR C C 3 174.220 174.220 173.437 0.783 17872 4 1 1 . 1 1 3 3 THR CA C 3 59.880 59.880 61.530 -1.650 17872 5 1 1 . 1 1 3 3 THR CB C 3 79.960 79.960 70.681 9.279 17872 6 1 1 . 1 1 3 3 THR H H 3 8.570 8.570 8.802 -0.232 17872 7 1 1 . 1 1 4 4 THR N N 4 112.300 112.300 113.924 -1.624 17872 8 1 1 . 1 1 4 4 THR HA H 4 4.630 4.630 4.529 0.101 17872 9 1 1 . 1 1 4 4 THR C C 4 173.360 173.360 173.748 -0.388 17872 10 1 1 . 1 1 4 4 THR CA C 4 59.240 59.240 61.216 -1.976 17872 11 1 1 . 1 1 4 4 THR CB C 4 78.730 78.730 70.803 7.927 17872 12 1 1 . 1 1 4 4 THR H H 4 8.730 8.730 8.010 0.720 17872 13 1 1 . 1 1 5 5 THR N N 5 115.800 115.800 115.894 -0.094 17872 14 1 1 . 1 1 5 5 THR HA H 5 4.530 4.530 4.502 0.028 17872 15 1 1 . 1 1 5 5 THR CA C 5 59.620 59.620 60.033 -0.413 17872 16 1 1 . 1 1 5 5 THR CB C 5 69.760 69.760 69.812 -0.052 17872 17 1 1 . 1 1 5 5 THR H H 5 8.240 8.240 8.177 0.063 17872 18 1 1 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.293 0.067 17872 19 1 1 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.105 -0.195 17872 20 1 1 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.545 0.585 17872 21 1 1 . 1 1 7 7 LEU N N 7 123.300 123.300 126.609 -3.309 17872 22 1 1 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.324 -0.084 17872 23 1 1 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.367 0.063 17872 24 1 1 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.090 0.120 17872 25 1 1 . 1 1 7 7 LEU H H 7 8.310 8.310 8.281 0.029 17872 26 1 2 . 1 1 3 3 THR N N 3 113.600 113.600 112.959 0.641 17872 27 1 2 . 1 1 3 3 THR HA H 3 4.720 4.720 4.977 -0.257 17872 28 1 2 . 1 1 3 3 THR C C 3 174.220 174.220 173.889 0.331 17872 29 1 2 . 1 1 3 3 THR CA C 3 59.880 59.880 61.467 -1.587 17872 30 1 2 . 1 1 3 3 THR CB C 3 79.960 79.960 71.164 8.796 17872 31 1 2 . 1 1 3 3 THR H H 3 8.570 8.570 8.723 -0.153 17872 32 1 2 . 1 1 4 4 THR N N 4 112.300 112.300 114.170 -1.870 17872 33 1 2 . 1 1 4 4 THR HA H 4 4.630 4.630 4.550 0.080 17872 34 1 2 . 1 1 4 4 THR C C 4 173.360 173.360 174.397 -1.037 17872 35 1 2 . 1 1 4 4 THR CA C 4 59.240 59.240 60.962 -1.722 17872 36 1 2 . 1 1 4 4 THR CB C 4 78.730 78.730 69.927 8.803 17872 37 1 2 . 1 1 4 4 THR H H 4 8.730 8.730 8.163 0.567 17872 38 1 2 . 1 1 5 5 THR N N 5 115.800 115.800 114.140 1.660 17872 39 1 2 . 1 1 5 5 THR HA H 5 4.530 4.530 4.596 -0.066 17872 40 1 2 . 1 1 5 5 THR CA C 5 59.620 59.620 60.136 -0.516 17872 41 1 2 . 1 1 5 5 THR CB C 5 69.760 69.760 69.176 0.584 17872 42 1 2 . 1 1 5 5 THR H H 5 8.240 8.240 8.249 -0.009 17872 43 1 2 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.548 -0.188 17872 44 1 2 . 1 1 6 6 PRO CA C 6 62.910 62.910 62.666 0.244 17872 45 1 2 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.814 0.316 17872 46 1 2 . 1 1 7 7 LEU N N 7 123.300 123.300 126.736 -3.436 17872 47 1 2 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.304 -0.064 17872 48 1 2 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.855 0.575 17872 49 1 2 . 1 1 7 7 LEU CB C 7 42.210 42.210 39.246 2.964 17872 50 1 2 . 1 1 7 7 LEU H H 7 8.310 8.310 8.651 -0.341 17872 51 1 3 . 1 1 3 3 THR N N 3 113.600 113.600 113.276 0.324 17872 52 1 3 . 1 1 3 3 THR HA H 3 4.720 4.720 5.032 -0.312 17872 53 1 3 . 1 1 3 3 THR C C 3 174.220 174.220 173.347 0.873 17872 54 1 3 . 1 1 3 3 THR CA C 3 59.880 59.880 61.174 -1.294 17872 55 1 3 . 1 1 3 3 THR CB C 3 79.960 79.960 71.627 8.333 17872 56 1 3 . 1 1 3 3 THR H H 3 8.570 8.570 8.775 -0.205 17872 57 1 3 . 1 1 4 4 THR N N 4 112.300 112.300 114.138 -1.838 17872 58 1 3 . 1 1 4 4 THR HA H 4 4.630 4.630 4.519 0.111 17872 59 1 3 . 1 1 4 4 THR C C 4 173.360 173.360 173.940 -0.580 17872 60 1 3 . 1 1 4 4 THR CA C 4 59.240 59.240 61.118 -1.878 17872 61 1 3 . 1 1 4 4 THR CB C 4 78.730 78.730 71.055 7.675 17872 62 1 3 . 1 1 4 4 THR H H 4 8.730 8.730 8.161 0.569 17872 63 1 3 . 1 1 5 5 THR N N 5 115.800 115.800 115.033 0.767 17872 64 1 3 . 1 1 5 5 THR HA H 5 4.530 4.530 4.527 0.003 17872 65 1 3 . 1 1 5 5 THR CA C 5 59.620 59.620 60.345 -0.725 17872 66 1 3 . 1 1 5 5 THR CB C 5 69.760 69.760 68.958 0.802 17872 67 1 3 . 1 1 5 5 THR H H 5 8.240 8.240 8.121 0.119 17872 68 1 3 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.274 0.086 17872 69 1 3 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.228 -0.318 17872 70 1 3 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.800 0.330 17872 71 1 3 . 1 1 7 7 LEU N N 7 123.300 123.300 125.233 -1.933 17872 72 1 3 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.369 -0.129 17872 73 1 3 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.874 0.556 17872 74 1 3 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.564 -0.354 17872 75 1 3 . 1 1 7 7 LEU H H 7 8.310 8.310 8.180 0.130 17872 76 1 4 . 1 1 3 3 THR N N 3 113.600 113.600 114.016 -0.416 17872 77 1 4 . 1 1 3 3 THR HA H 3 4.720 4.720 4.622 0.098 17872 78 1 4 . 1 1 3 3 THR C C 3 174.220 174.220 173.331 0.889 17872 79 1 4 . 1 1 3 3 THR CA C 3 59.880 59.880 61.110 -1.230 17872 80 1 4 . 1 1 3 3 THR CB C 3 79.960 79.960 70.639 9.321 17872 81 1 4 . 1 1 3 3 THR H H 3 8.570 8.570 8.274 0.296 17872 82 1 4 . 1 1 4 4 THR N N 4 112.300 112.300 112.375 -0.075 17872 83 1 4 . 1 1 4 4 THR HA H 4 4.630 4.630 4.597 0.033 17872 84 1 4 . 1 1 4 4 THR C C 4 173.360 173.360 173.690 -0.330 17872 85 1 4 . 1 1 4 4 THR CA C 4 59.240 59.240 62.497 -3.257 17872 86 1 4 . 1 1 4 4 THR CB C 4 78.730 78.730 70.595 8.135 17872 87 1 4 . 1 1 4 4 THR H H 4 8.730 8.730 8.232 0.498 17872 88 1 4 . 1 1 5 5 THR N N 5 115.800 115.800 117.388 -1.588 17872 89 1 4 . 1 1 5 5 THR HA H 5 4.530 4.530 4.666 -0.136 17872 90 1 4 . 1 1 5 5 THR CA C 5 59.620 59.620 61.617 -1.997 17872 91 1 4 . 1 1 5 5 THR CB C 5 69.760 69.760 69.001 0.758 17872 92 1 4 . 1 1 5 5 THR H H 5 8.240 8.240 8.209 0.031 17872 93 1 4 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.574 -0.214 17872 94 1 4 . 1 1 6 6 PRO CA C 6 62.910 62.910 62.779 0.131 17872 95 1 4 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.773 0.357 17872 96 1 4 . 1 1 7 7 LEU N N 7 123.300 123.300 121.031 2.269 17872 97 1 4 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.306 -0.066 17872 98 1 4 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.855 0.575 17872 99 1 4 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.122 0.088 17872 100 1 4 . 1 1 7 7 LEU H H 7 8.310 8.310 7.642 0.668 17872 101 1 5 . 1 1 3 3 THR N N 3 113.600 113.600 113.071 0.529 17872 102 1 5 . 1 1 3 3 THR HA H 3 4.720 4.720 5.060 -0.340 17872 103 1 5 . 1 1 3 3 THR C C 3 174.220 174.220 173.324 0.896 17872 104 1 5 . 1 1 3 3 THR CA C 3 59.880 59.880 61.287 -1.407 17872 105 1 5 . 1 1 3 3 THR CB C 3 79.960 79.960 71.221 8.739 17872 106 1 5 . 1 1 3 3 THR H H 3 8.570 8.570 8.679 -0.109 17872 107 1 5 . 1 1 4 4 THR N N 4 112.300 112.300 113.765 -1.465 17872 108 1 5 . 1 1 4 4 THR HA H 4 4.630 4.630 4.525 0.105 17872 109 1 5 . 1 1 4 4 THR C C 4 173.360 173.360 173.739 -0.379 17872 110 1 5 . 1 1 4 4 THR CA C 4 59.240 59.240 61.480 -2.240 17872 111 1 5 . 1 1 4 4 THR CB C 4 78.730 78.730 70.868 7.862 17872 112 1 5 . 1 1 4 4 THR H H 4 8.730 8.730 8.141 0.589 17872 113 1 5 . 1 1 5 5 THR N N 5 115.800 115.800 117.568 -1.768 17872 114 1 5 . 1 1 5 5 THR HA H 5 4.530 4.530 4.548 -0.018 17872 115 1 5 . 1 1 5 5 THR CA C 5 59.620 59.620 60.735 -1.115 17872 116 1 5 . 1 1 5 5 THR CB C 5 69.760 69.760 69.556 0.204 17872 117 1 5 . 1 1 5 5 THR H H 5 8.240 8.240 8.250 -0.010 17872 118 1 5 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.312 0.048 17872 119 1 5 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.068 -0.158 17872 120 1 5 . 1 1 6 6 PRO CB C 6 32.130 32.130 32.032 0.098 17872 121 1 5 . 1 1 7 7 LEU N N 7 123.300 123.300 124.592 -1.292 17872 122 1 5 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.343 -0.103 17872 123 1 5 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.891 0.539 17872 124 1 5 . 1 1 7 7 LEU CB C 7 42.210 42.210 41.173 1.037 17872 125 1 5 . 1 1 7 7 LEU H H 7 8.310 8.310 8.239 0.071 17872 126 1 6 . 1 1 3 3 THR N N 3 113.600 113.600 114.593 -0.993 17872 127 1 6 . 1 1 3 3 THR HA H 3 4.720 4.720 5.070 -0.350 17872 128 1 6 . 1 1 3 3 THR C C 3 174.220 174.220 174.117 0.103 17872 129 1 6 . 1 1 3 3 THR CA C 3 59.880 59.880 61.614 -1.734 17872 130 1 6 . 1 1 3 3 THR CB C 3 79.960 79.960 70.340 9.620 17872 131 1 6 . 1 1 3 3 THR H H 3 8.570 8.570 8.606 -0.036 17872 132 1 6 . 1 1 4 4 THR N N 4 112.300 112.300 112.736 -0.436 17872 133 1 6 . 1 1 4 4 THR HA H 4 4.630 4.630 4.475 0.155 17872 134 1 6 . 1 1 4 4 THR C C 4 173.360 173.360 173.608 -0.248 17872 135 1 6 . 1 1 4 4 THR CA C 4 59.240 59.240 60.934 -1.694 17872 136 1 6 . 1 1 4 4 THR CB C 4 78.730 78.730 70.472 8.258 17872 137 1 6 . 1 1 4 4 THR H H 4 8.730 8.730 8.024 0.706 17872 138 1 6 . 1 1 5 5 THR N N 5 115.800 115.800 115.585 0.215 17872 139 1 6 . 1 1 5 5 THR HA H 5 4.530 4.530 4.518 0.012 17872 140 1 6 . 1 1 5 5 THR CA C 5 59.620 59.620 59.373 0.246 17872 141 1 6 . 1 1 5 5 THR CB C 5 69.760 69.760 69.791 -0.031 17872 142 1 6 . 1 1 5 5 THR H H 5 8.240 8.240 8.116 0.124 17872 143 1 6 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.373 -0.013 17872 144 1 6 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.888 -0.978 17872 145 1 6 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.207 0.923 17872 146 1 6 . 1 1 7 7 LEU N N 7 123.300 123.300 124.740 -1.440 17872 147 1 6 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.748 -0.508 17872 148 1 6 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.807 0.623 17872 149 1 6 . 1 1 7 7 LEU CB C 7 42.210 42.210 43.538 -1.328 17872 150 1 6 . 1 1 7 7 LEU H H 7 8.310 8.310 8.022 0.288 17872 151 1 7 . 1 1 3 3 THR N N 3 113.600 113.600 114.864 -1.264 17872 152 1 7 . 1 1 3 3 THR HA H 3 4.720 4.720 5.037 -0.317 17872 153 1 7 . 1 1 3 3 THR C C 3 174.220 174.220 174.236 -0.016 17872 154 1 7 . 1 1 3 3 THR CA C 3 59.880 59.880 61.826 -1.946 17872 155 1 7 . 1 1 3 3 THR CB C 3 79.960 79.960 70.374 9.585 17872 156 1 7 . 1 1 3 3 THR H H 3 8.570 8.570 8.536 0.034 17872 157 1 7 . 1 1 4 4 THR N N 4 112.300 112.300 113.801 -1.501 17872 158 1 7 . 1 1 4 4 THR HA H 4 4.630 4.630 4.514 0.116 17872 159 1 7 . 1 1 4 4 THR C C 4 173.360 173.360 173.735 -0.375 17872 160 1 7 . 1 1 4 4 THR CA C 4 59.240 59.240 61.334 -2.094 17872 161 1 7 . 1 1 4 4 THR CB C 4 78.730 78.730 70.508 8.222 17872 162 1 7 . 1 1 4 4 THR H H 4 8.730 8.730 8.060 0.670 17872 163 1 7 . 1 1 5 5 THR N N 5 115.800 115.800 115.295 0.505 17872 164 1 7 . 1 1 5 5 THR HA H 5 4.530 4.530 4.585 -0.055 17872 165 1 7 . 1 1 5 5 THR CA C 5 59.620 59.620 59.988 -0.368 17872 166 1 7 . 1 1 5 5 THR CB C 5 69.760 69.760 69.694 0.066 17872 167 1 7 . 1 1 5 5 THR H H 5 8.240 8.240 7.960 0.280 17872 168 1 7 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.369 -0.009 17872 169 1 7 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.715 -0.805 17872 170 1 7 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.524 0.606 17872 171 1 7 . 1 1 7 7 LEU N N 7 123.300 123.300 123.699 -0.399 17872 172 1 7 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.323 -0.083 17872 173 1 7 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.938 0.492 17872 174 1 7 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.295 -0.085 17872 175 1 7 . 1 1 7 7 LEU H H 7 8.310 8.310 7.953 0.357 17872 176 1 8 . 1 1 3 3 THR N N 3 113.600 113.600 112.667 0.933 17872 177 1 8 . 1 1 3 3 THR HA H 3 4.720 4.720 5.076 -0.356 17872 178 1 8 . 1 1 3 3 THR C C 3 174.220 174.220 173.482 0.738 17872 179 1 8 . 1 1 3 3 THR CA C 3 59.880 59.880 61.471 -1.591 17872 180 1 8 . 1 1 3 3 THR CB C 3 79.960 79.960 71.142 8.818 17872 181 1 8 . 1 1 3 3 THR H H 3 8.570 8.570 8.838 -0.268 17872 182 1 8 . 1 1 4 4 THR N N 4 112.300 112.300 113.001 -0.701 17872 183 1 8 . 1 1 4 4 THR HA H 4 4.630 4.630 4.560 0.070 17872 184 1 8 . 1 1 4 4 THR C C 4 173.360 173.360 173.924 -0.564 17872 185 1 8 . 1 1 4 4 THR CA C 4 59.240 59.240 61.060 -1.820 17872 186 1 8 . 1 1 4 4 THR CB C 4 78.730 78.730 70.549 8.181 17872 187 1 8 . 1 1 4 4 THR H H 4 8.730 8.730 8.149 0.581 17872 188 1 8 . 1 1 5 5 THR N N 5 115.800 115.800 114.093 1.707 17872 189 1 8 . 1 1 5 5 THR HA H 5 4.530 4.530 4.585 -0.055 17872 190 1 8 . 1 1 5 5 THR CA C 5 59.620 59.620 60.112 -0.492 17872 191 1 8 . 1 1 5 5 THR CB C 5 69.760 69.760 69.383 0.377 17872 192 1 8 . 1 1 5 5 THR H H 5 8.240 8.240 8.115 0.125 17872 193 1 8 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.532 -0.172 17872 194 1 8 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.284 -0.374 17872 195 1 8 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.415 0.716 17872 196 1 8 . 1 1 7 7 LEU N N 7 123.300 123.300 125.482 -2.182 17872 197 1 8 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.462 -0.222 17872 198 1 8 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.612 -0.182 17872 199 1 8 . 1 1 7 7 LEU CB C 7 42.210 42.210 43.105 -0.895 17872 200 1 8 . 1 1 7 7 LEU H H 7 8.310 8.310 8.241 0.069 17872 201 1 9 . 1 1 3 3 THR N N 3 113.600 113.600 115.945 -2.345 17872 202 1 9 . 1 1 3 3 THR HA H 3 4.720 4.720 4.517 0.203 17872 203 1 9 . 1 1 3 3 THR C C 3 174.220 174.220 174.950 -0.730 17872 204 1 9 . 1 1 3 3 THR CA C 3 59.880 59.880 61.628 -1.748 17872 205 1 9 . 1 1 3 3 THR CB C 3 79.960 79.960 69.874 10.086 17872 206 1 9 . 1 1 3 3 THR H H 3 8.570 8.570 8.182 0.388 17872 207 1 9 . 1 1 4 4 THR N N 4 112.300 112.300 115.730 -3.430 17872 208 1 9 . 1 1 4 4 THR HA H 4 4.630 4.630 4.537 0.093 17872 209 1 9 . 1 1 4 4 THR C C 4 173.360 173.360 174.619 -1.259 17872 210 1 9 . 1 1 4 4 THR CA C 4 59.240 59.240 61.234 -1.994 17872 211 1 9 . 1 1 4 4 THR CB C 4 78.730 78.730 70.323 8.407 17872 212 1 9 . 1 1 4 4 THR H H 4 8.730 8.730 8.272 0.458 17872 213 1 9 . 1 1 5 5 THR N N 5 115.800 115.800 114.544 1.256 17872 214 1 9 . 1 1 5 5 THR HA H 5 4.530 4.530 4.561 -0.031 17872 215 1 9 . 1 1 5 5 THR CA C 5 59.620 59.620 59.742 -0.123 17872 216 1 9 . 1 1 5 5 THR CB C 5 69.760 69.760 68.603 1.157 17872 217 1 9 . 1 1 5 5 THR H H 5 8.240 8.240 8.032 0.208 17872 218 1 9 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.319 0.041 17872 219 1 9 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.161 -0.251 17872 220 1 9 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.992 0.138 17872 221 1 9 . 1 1 7 7 LEU N N 7 123.300 123.300 123.353 -0.053 17872 222 1 9 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.266 -0.026 17872 223 1 9 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.189 0.241 17872 224 1 9 . 1 1 7 7 LEU CB C 7 42.210 42.210 40.834 1.377 17872 225 1 9 . 1 1 7 7 LEU H H 7 8.310 8.310 8.275 0.035 17872 226 1 10 . 1 1 3 3 THR N N 3 113.600 113.600 113.600 0.000 17872 227 1 10 . 1 1 3 3 THR HA H 3 4.720 4.720 5.078 -0.358 17872 228 1 10 . 1 1 3 3 THR C C 3 174.220 174.220 173.324 0.896 17872 229 1 10 . 1 1 3 3 THR CA C 3 59.880 59.880 61.239 -1.359 17872 230 1 10 . 1 1 3 3 THR CB C 3 79.960 79.960 71.239 8.722 17872 231 1 10 . 1 1 3 3 THR H H 3 8.570 8.570 8.626 -0.056 17872 232 1 10 . 1 1 4 4 THR N N 4 112.300 112.300 114.007 -1.707 17872 233 1 10 . 1 1 4 4 THR HA H 4 4.630 4.630 4.535 0.095 17872 234 1 10 . 1 1 4 4 THR C C 4 173.360 173.360 173.493 -0.133 17872 235 1 10 . 1 1 4 4 THR CA C 4 59.240 59.240 61.517 -2.277 17872 236 1 10 . 1 1 4 4 THR CB C 4 78.730 78.730 71.160 7.570 17872 237 1 10 . 1 1 4 4 THR H H 4 8.730 8.730 8.239 0.491 17872 238 1 10 . 1 1 5 5 THR N N 5 115.800 115.800 115.856 -0.056 17872 239 1 10 . 1 1 5 5 THR HA H 5 4.530 4.530 4.595 -0.065 17872 240 1 10 . 1 1 5 5 THR CA C 5 59.620 59.620 59.294 0.326 17872 241 1 10 . 1 1 5 5 THR CB C 5 69.760 69.760 69.749 0.011 17872 242 1 10 . 1 1 5 5 THR H H 5 8.240 8.240 8.071 0.169 17872 243 1 10 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.368 -0.008 17872 244 1 10 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.723 -0.813 17872 245 1 10 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.181 0.949 17872 246 1 10 . 1 1 7 7 LEU N N 7 123.300 123.300 124.196 -0.896 17872 247 1 10 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.503 -0.263 17872 248 1 10 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.891 0.539 17872 249 1 10 . 1 1 7 7 LEU CB C 7 42.210 42.210 44.126 -1.916 17872 250 1 10 . 1 1 7 7 LEU H H 7 8.310 8.310 8.004 0.306 17872 251 1 11 . 1 1 3 3 THR N N 3 113.600 113.600 114.471 -0.871 17872 252 1 11 . 1 1 3 3 THR HA H 3 4.720 4.720 5.006 -0.286 17872 253 1 11 . 1 1 3 3 THR C C 3 174.220 174.220 173.698 0.522 17872 254 1 11 . 1 1 3 3 THR CA C 3 59.880 59.880 61.131 -1.251 17872 255 1 11 . 1 1 3 3 THR CB C 3 79.960 79.960 71.688 8.272 17872 256 1 11 . 1 1 3 3 THR H H 3 8.570 8.570 8.214 0.356 17872 257 1 11 . 1 1 4 4 THR N N 4 112.300 112.300 115.422 -3.122 17872 258 1 11 . 1 1 4 4 THR HA H 4 4.630 4.630 4.562 0.068 17872 259 1 11 . 1 1 4 4 THR C C 4 173.360 173.360 174.074 -0.714 17872 260 1 11 . 1 1 4 4 THR CA C 4 59.240 59.240 61.445 -2.205 17872 261 1 11 . 1 1 4 4 THR CB C 4 78.730 78.730 70.114 8.616 17872 262 1 11 . 1 1 4 4 THR H H 4 8.730 8.730 8.183 0.547 17872 263 1 11 . 1 1 5 5 THR N N 5 115.800 115.800 114.924 0.876 17872 264 1 11 . 1 1 5 5 THR HA H 5 4.530 4.530 4.556 -0.026 17872 265 1 11 . 1 1 5 5 THR CA C 5 59.620 59.620 59.917 -0.297 17872 266 1 11 . 1 1 5 5 THR CB C 5 69.760 69.760 68.558 1.202 17872 267 1 11 . 1 1 5 5 THR H H 5 8.240 8.240 8.101 0.139 17872 268 1 11 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.324 0.036 17872 269 1 11 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.754 -0.844 17872 270 1 11 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.357 0.773 17872 271 1 11 . 1 1 7 7 LEU N N 7 123.300 123.300 123.981 -0.681 17872 272 1 11 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.484 -0.244 17872 273 1 11 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.616 0.814 17872 274 1 11 . 1 1 7 7 LEU CB C 7 42.210 42.210 43.535 -1.325 17872 275 1 11 . 1 1 7 7 LEU H H 7 8.310 8.310 7.951 0.359 17872 276 1 12 . 1 1 3 3 THR N N 3 113.600 113.600 116.076 -2.476 17872 277 1 12 . 1 1 3 3 THR HA H 3 4.720 4.720 4.572 0.148 17872 278 1 12 . 1 1 3 3 THR C C 3 174.220 174.220 175.389 -1.169 17872 279 1 12 . 1 1 3 3 THR CA C 3 59.880 59.880 61.656 -1.776 17872 280 1 12 . 1 1 3 3 THR CB C 3 79.960 79.960 69.953 10.007 17872 281 1 12 . 1 1 3 3 THR H H 3 8.570 8.570 8.240 0.330 17872 282 1 12 . 1 1 4 4 THR N N 4 112.300 112.300 114.335 -2.035 17872 283 1 12 . 1 1 4 4 THR HA H 4 4.630 4.630 4.481 0.149 17872 284 1 12 . 1 1 4 4 THR C C 4 173.360 173.360 174.816 -1.456 17872 285 1 12 . 1 1 4 4 THR CA C 4 59.240 59.240 60.810 -1.570 17872 286 1 12 . 1 1 4 4 THR CB C 4 78.730 78.730 70.383 8.347 17872 287 1 12 . 1 1 4 4 THR H H 4 8.730 8.730 8.010 0.720 17872 288 1 12 . 1 1 5 5 THR N N 5 115.800 115.800 114.592 1.208 17872 289 1 12 . 1 1 5 5 THR HA H 5 4.530 4.530 4.549 -0.019 17872 290 1 12 . 1 1 5 5 THR CA C 5 59.620 59.620 60.131 -0.511 17872 291 1 12 . 1 1 5 5 THR CB C 5 69.760 69.760 68.592 1.168 17872 292 1 12 . 1 1 5 5 THR H H 5 8.240 8.240 8.156 0.084 17872 293 1 12 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.336 0.024 17872 294 1 12 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.846 -0.936 17872 295 1 12 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.659 0.471 17872 296 1 12 . 1 1 7 7 LEU N N 7 123.300 123.300 124.551 -1.251 17872 297 1 12 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.714 -0.474 17872 298 1 12 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.685 0.744 17872 299 1 12 . 1 1 7 7 LEU CB C 7 42.210 42.210 43.562 -1.352 17872 300 1 12 . 1 1 7 7 LEU H H 7 8.310 8.310 8.018 0.292 17872 301 1 13 . 1 1 3 3 THR N N 3 113.600 113.600 114.198 -0.598 17872 302 1 13 . 1 1 3 3 THR HA H 3 4.720 4.720 4.972 -0.252 17872 303 1 13 . 1 1 3 3 THR C C 3 174.220 174.220 173.844 0.376 17872 304 1 13 . 1 1 3 3 THR CA C 3 59.880 59.880 61.489 -1.609 17872 305 1 13 . 1 1 3 3 THR CB C 3 79.960 79.960 70.948 9.012 17872 306 1 13 . 1 1 3 3 THR H H 3 8.570 8.570 8.707 -0.137 17872 307 1 13 . 1 1 4 4 THR N N 4 112.300 112.300 113.357 -1.057 17872 308 1 13 . 1 1 4 4 THR HA H 4 4.630 4.630 4.609 0.021 17872 309 1 13 . 1 1 4 4 THR C C 4 173.360 173.360 173.061 0.299 17872 310 1 13 . 1 1 4 4 THR CA C 4 59.240 59.240 60.897 -1.657 17872 311 1 13 . 1 1 4 4 THR CB C 4 78.730 78.730 71.646 7.084 17872 312 1 13 . 1 1 4 4 THR H H 4 8.730 8.730 8.385 0.345 17872 313 1 13 . 1 1 5 5 THR N N 5 115.800 115.800 117.749 -1.949 17872 314 1 13 . 1 1 5 5 THR HA H 5 4.530 4.530 4.495 0.035 17872 315 1 13 . 1 1 5 5 THR CA C 5 59.620 59.620 60.474 -0.854 17872 316 1 13 . 1 1 5 5 THR CB C 5 69.760 69.760 68.841 0.919 17872 317 1 13 . 1 1 5 5 THR H H 5 8.240 8.240 8.146 0.094 17872 318 1 13 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.556 -0.196 17872 319 1 13 . 1 1 6 6 PRO CA C 6 62.910 62.910 61.951 0.959 17872 320 1 13 . 1 1 6 6 PRO CB C 6 32.130 32.130 32.290 -0.160 17872 321 1 13 . 1 1 7 7 LEU N N 7 123.300 123.300 121.230 2.070 17872 322 1 13 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.346 -0.106 17872 323 1 13 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.167 0.263 17872 324 1 13 . 1 1 7 7 LEU CB C 7 42.210 42.210 39.755 2.455 17872 325 1 13 . 1 1 7 7 LEU H H 7 8.310 8.310 8.327 -0.017 17872 326 1 14 . 1 1 3 3 THR N N 3 113.600 113.600 113.893 -0.293 17872 327 1 14 . 1 1 3 3 THR HA H 3 4.720 4.720 4.917 -0.197 17872 328 1 14 . 1 1 3 3 THR C C 3 174.220 174.220 174.890 -0.670 17872 329 1 14 . 1 1 3 3 THR CA C 3 59.880 59.880 61.418 -1.538 17872 330 1 14 . 1 1 3 3 THR CB C 3 79.960 79.960 70.438 9.522 17872 331 1 14 . 1 1 3 3 THR H H 3 8.570 8.570 8.472 0.098 17872 332 1 14 . 1 1 4 4 THR N N 4 112.300 112.300 113.824 -1.524 17872 333 1 14 . 1 1 4 4 THR HA H 4 4.630 4.630 4.534 0.096 17872 334 1 14 . 1 1 4 4 THR C C 4 173.360 173.360 173.889 -0.529 17872 335 1 14 . 1 1 4 4 THR CA C 4 59.240 59.240 61.352 -2.112 17872 336 1 14 . 1 1 4 4 THR CB C 4 78.730 78.730 69.452 9.278 17872 337 1 14 . 1 1 4 4 THR H H 4 8.730 8.730 8.351 0.379 17872 338 1 14 . 1 1 5 5 THR N N 5 115.800 115.800 114.879 0.921 17872 339 1 14 . 1 1 5 5 THR HA H 5 4.530 4.530 4.642 -0.112 17872 340 1 14 . 1 1 5 5 THR CA C 5 59.620 59.620 60.891 -1.271 17872 341 1 14 . 1 1 5 5 THR CB C 5 69.760 69.760 70.393 -0.633 17872 342 1 14 . 1 1 5 5 THR H H 5 8.240 8.240 7.804 0.436 17872 343 1 14 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.391 -0.031 17872 344 1 14 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.857 -0.947 17872 345 1 14 . 1 1 6 6 PRO CB C 6 32.130 32.130 30.993 1.137 17872 346 1 14 . 1 1 7 7 LEU N N 7 123.300 123.300 123.733 -0.433 17872 347 1 14 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.424 -0.184 17872 348 1 14 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.468 0.962 17872 349 1 14 . 1 1 7 7 LEU CB C 7 42.210 42.210 44.580 -2.370 17872 350 1 14 . 1 1 7 7 LEU H H 7 8.310 8.310 7.883 0.427 17872 351 1 15 . 1 1 3 3 THR N N 3 113.600 113.600 113.431 0.169 17872 352 1 15 . 1 1 3 3 THR HA H 3 4.720 4.720 5.115 -0.395 17872 353 1 15 . 1 1 3 3 THR C C 3 174.220 174.220 173.349 0.871 17872 354 1 15 . 1 1 3 3 THR CA C 3 59.880 59.880 61.393 -1.513 17872 355 1 15 . 1 1 3 3 THR CB C 3 79.960 79.960 70.737 9.223 17872 356 1 15 . 1 1 3 3 THR H H 3 8.570 8.570 8.736 -0.166 17872 357 1 15 . 1 1 4 4 THR N N 4 112.300 112.300 113.500 -1.200 17872 358 1 15 . 1 1 4 4 THR HA H 4 4.630 4.630 4.521 0.109 17872 359 1 15 . 1 1 4 4 THR C C 4 173.360 173.360 173.643 -0.283 17872 360 1 15 . 1 1 4 4 THR CA C 4 59.240 59.240 61.037 -1.797 17872 361 1 15 . 1 1 4 4 THR CB C 4 78.730 78.730 70.691 8.039 17872 362 1 15 . 1 1 4 4 THR H H 4 8.730 8.730 8.073 0.657 17872 363 1 15 . 1 1 5 5 THR N N 5 115.800 115.800 115.892 -0.092 17872 364 1 15 . 1 1 5 5 THR HA H 5 4.530 4.530 4.499 0.031 17872 365 1 15 . 1 1 5 5 THR CA C 5 59.620 59.620 59.966 -0.346 17872 366 1 15 . 1 1 5 5 THR CB C 5 69.760 69.760 69.843 -0.083 17872 367 1 15 . 1 1 5 5 THR H H 5 8.240 8.240 8.182 0.058 17872 368 1 15 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.386 -0.026 17872 369 1 15 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.755 -0.845 17872 370 1 15 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.181 0.949 17872 371 1 15 . 1 1 7 7 LEU N N 7 123.300 123.300 122.847 0.453 17872 372 1 15 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.624 -0.384 17872 373 1 15 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.036 1.394 17872 374 1 15 . 1 1 7 7 LEU CB C 7 42.210 42.210 44.624 -2.414 17872 375 1 15 . 1 1 7 7 LEU H H 7 8.310 8.310 7.919 0.391 17872 376 1 16 . 1 1 3 3 THR N N 3 113.600 113.600 114.090 -0.490 17872 377 1 16 . 1 1 3 3 THR HA H 3 4.720 4.720 4.947 -0.227 17872 378 1 16 . 1 1 3 3 THR C C 3 174.220 174.220 174.358 -0.138 17872 379 1 16 . 1 1 3 3 THR CA C 3 59.880 59.880 61.826 -1.946 17872 380 1 16 . 1 1 3 3 THR CB C 3 79.960 79.960 70.406 9.554 17872 381 1 16 . 1 1 3 3 THR H H 3 8.570 8.570 8.801 -0.231 17872 382 1 16 . 1 1 4 4 THR N N 4 112.300 112.300 112.925 -0.625 17872 383 1 16 . 1 1 4 4 THR HA H 4 4.630 4.630 4.493 0.137 17872 384 1 16 . 1 1 4 4 THR C C 4 173.360 173.360 173.808 -0.448 17872 385 1 16 . 1 1 4 4 THR CA C 4 59.240 59.240 61.030 -1.790 17872 386 1 16 . 1 1 4 4 THR CB C 4 78.730 78.730 70.651 8.079 17872 387 1 16 . 1 1 4 4 THR H H 4 8.730 8.730 7.939 0.791 17872 388 1 16 . 1 1 5 5 THR N N 5 115.800 115.800 118.597 -2.797 17872 389 1 16 . 1 1 5 5 THR HA H 5 4.530 4.530 4.649 -0.119 17872 390 1 16 . 1 1 5 5 THR CA C 5 59.620 59.620 60.919 -1.299 17872 391 1 16 . 1 1 5 5 THR CB C 5 69.760 69.760 68.519 1.242 17872 392 1 16 . 1 1 5 5 THR H H 5 8.240 8.240 8.269 -0.029 17872 393 1 16 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.325 0.035 17872 394 1 16 . 1 1 6 6 PRO CA C 6 62.910 62.910 62.883 0.027 17872 395 1 16 . 1 1 6 6 PRO CB C 6 32.130 32.130 32.118 0.012 17872 396 1 16 . 1 1 7 7 LEU N N 7 123.300 123.300 126.096 -2.796 17872 397 1 16 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.332 -0.092 17872 398 1 16 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.887 0.543 17872 399 1 16 . 1 1 7 7 LEU CB C 7 42.210 42.210 40.791 1.419 17872 400 1 16 . 1 1 7 7 LEU H H 7 8.310 8.310 8.529 -0.219 17872 401 1 17 . 1 1 3 3 THR N N 3 113.600 113.600 114.593 -0.993 17872 402 1 17 . 1 1 3 3 THR HA H 3 4.720 4.720 5.066 -0.346 17872 403 1 17 . 1 1 3 3 THR C C 3 174.220 174.220 173.894 0.326 17872 404 1 17 . 1 1 3 3 THR CA C 3 59.880 59.880 61.562 -1.682 17872 405 1 17 . 1 1 3 3 THR CB C 3 79.960 79.960 70.721 9.239 17872 406 1 17 . 1 1 3 3 THR H H 3 8.570 8.570 8.490 0.080 17872 407 1 17 . 1 1 4 4 THR N N 4 112.300 112.300 113.935 -1.635 17872 408 1 17 . 1 1 4 4 THR HA H 4 4.630 4.630 4.632 -0.002 17872 409 1 17 . 1 1 4 4 THR C C 4 173.360 173.360 173.718 -0.358 17872 410 1 17 . 1 1 4 4 THR CA C 4 59.240 59.240 61.373 -2.133 17872 411 1 17 . 1 1 4 4 THR CB C 4 78.730 78.730 70.705 8.025 17872 412 1 17 . 1 1 4 4 THR H H 4 8.730 8.730 7.991 0.739 17872 413 1 17 . 1 1 5 5 THR N N 5 115.800 115.800 114.948 0.852 17872 414 1 17 . 1 1 5 5 THR HA H 5 4.530 4.530 4.622 -0.092 17872 415 1 17 . 1 1 5 5 THR CA C 5 59.620 59.620 60.216 -0.596 17872 416 1 17 . 1 1 5 5 THR CB C 5 69.760 69.760 68.310 1.450 17872 417 1 17 . 1 1 5 5 THR H H 5 8.240 8.240 8.130 0.110 17872 418 1 17 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.502 -0.142 17872 419 1 17 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.148 -0.238 17872 420 1 17 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.637 0.493 17872 421 1 17 . 1 1 7 7 LEU N N 7 123.300 123.300 124.312 -1.012 17872 422 1 17 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.492 -0.252 17872 423 1 17 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.908 0.522 17872 424 1 17 . 1 1 7 7 LEU CB C 7 42.210 42.210 43.287 -1.077 17872 425 1 17 . 1 1 7 7 LEU H H 7 8.310 8.310 8.193 0.117 17872 426 1 18 . 1 1 3 3 THR N N 3 113.600 113.600 114.136 -0.536 17872 427 1 18 . 1 1 3 3 THR HA H 3 4.720 4.720 4.955 -0.235 17872 428 1 18 . 1 1 3 3 THR C C 3 174.220 174.220 174.419 -0.199 17872 429 1 18 . 1 1 3 3 THR CA C 3 59.880 59.880 61.547 -1.667 17872 430 1 18 . 1 1 3 3 THR CB C 3 79.960 79.960 70.343 9.617 17872 431 1 18 . 1 1 3 3 THR H H 3 8.570 8.570 8.632 -0.062 17872 432 1 18 . 1 1 4 4 THR N N 4 112.300 112.300 113.628 -1.328 17872 433 1 18 . 1 1 4 4 THR HA H 4 4.630 4.630 4.455 0.175 17872 434 1 18 . 1 1 4 4 THR C C 4 173.360 173.360 174.150 -0.790 17872 435 1 18 . 1 1 4 4 THR CA C 4 59.240 59.240 60.995 -1.754 17872 436 1 18 . 1 1 4 4 THR CB C 4 78.730 78.730 70.220 8.510 17872 437 1 18 . 1 1 4 4 THR H H 4 8.730 8.730 8.182 0.548 17872 438 1 18 . 1 1 5 5 THR N N 5 115.800 115.800 116.574 -0.774 17872 439 1 18 . 1 1 5 5 THR HA H 5 4.530 4.530 4.599 -0.069 17872 440 1 18 . 1 1 5 5 THR CA C 5 59.620 59.620 59.385 0.235 17872 441 1 18 . 1 1 5 5 THR CB C 5 69.760 69.760 69.485 0.275 17872 442 1 18 . 1 1 5 5 THR H H 5 8.240 8.240 8.260 -0.020 17872 443 1 18 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.342 0.018 17872 444 1 18 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.431 -0.521 17872 445 1 18 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.952 0.178 17872 446 1 18 . 1 1 7 7 LEU N N 7 123.300 123.300 124.077 -0.777 17872 447 1 18 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.336 -0.096 17872 448 1 18 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.580 -0.150 17872 449 1 18 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.461 -0.251 17872 450 1 18 . 1 1 7 7 LEU H H 7 8.310 8.310 8.229 0.081 17872 451 1 19 . 1 1 3 3 THR N N 3 113.600 113.600 114.228 -0.628 17872 452 1 19 . 1 1 3 3 THR HA H 3 4.720 4.720 4.910 -0.190 17872 453 1 19 . 1 1 3 3 THR C C 3 174.220 174.220 173.804 0.416 17872 454 1 19 . 1 1 3 3 THR CA C 3 59.880 59.880 61.510 -1.630 17872 455 1 19 . 1 1 3 3 THR CB C 3 79.960 79.960 71.103 8.857 17872 456 1 19 . 1 1 3 3 THR H H 3 8.570 8.570 8.541 0.029 17872 457 1 19 . 1 1 4 4 THR N N 4 112.300 112.300 115.263 -2.963 17872 458 1 19 . 1 1 4 4 THR HA H 4 4.630 4.630 4.556 0.074 17872 459 1 19 . 1 1 4 4 THR C C 4 173.360 173.360 174.353 -0.993 17872 460 1 19 . 1 1 4 4 THR CA C 4 59.240 59.240 61.414 -2.175 17872 461 1 19 . 1 1 4 4 THR CB C 4 78.730 78.730 70.004 8.726 17872 462 1 19 . 1 1 4 4 THR H H 4 8.730 8.730 8.163 0.567 17872 463 1 19 . 1 1 5 5 THR N N 5 115.800 115.800 116.347 -0.547 17872 464 1 19 . 1 1 5 5 THR HA H 5 4.530 4.530 4.551 -0.021 17872 465 1 19 . 1 1 5 5 THR CA C 5 59.620 59.620 60.030 -0.410 17872 466 1 19 . 1 1 5 5 THR CB C 5 69.760 69.760 69.380 0.380 17872 467 1 19 . 1 1 5 5 THR H H 5 8.240 8.240 8.240 0.000 17872 468 1 19 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.346 0.014 17872 469 1 19 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.344 -0.435 17872 470 1 19 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.457 0.673 17872 471 1 19 . 1 1 7 7 LEU N N 7 123.300 123.300 124.416 -1.116 17872 472 1 19 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.398 -0.158 17872 473 1 19 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.625 0.805 17872 474 1 19 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.602 -0.392 17872 475 1 19 . 1 1 7 7 LEU H H 7 8.310 8.310 8.219 0.091 17872 476 1 20 . 1 1 3 3 THR N N 3 113.600 113.600 114.449 -0.849 17872 477 1 20 . 1 1 3 3 THR HA H 3 4.720 4.720 4.962 -0.242 17872 478 1 20 . 1 1 3 3 THR C C 3 174.220 174.220 174.887 -0.667 17872 479 1 20 . 1 1 3 3 THR CA C 3 59.880 59.880 61.621 -1.741 17872 480 1 20 . 1 1 3 3 THR CB C 3 79.960 79.960 69.772 10.188 17872 481 1 20 . 1 1 3 3 THR H H 3 8.570 8.570 8.403 0.167 17872 482 1 20 . 1 1 4 4 THR N N 4 112.300 112.300 113.591 -1.291 17872 483 1 20 . 1 1 4 4 THR HA H 4 4.630 4.630 4.466 0.164 17872 484 1 20 . 1 1 4 4 THR C C 4 173.360 173.360 174.310 -0.950 17872 485 1 20 . 1 1 4 4 THR CA C 4 59.240 59.240 61.316 -2.075 17872 486 1 20 . 1 1 4 4 THR CB C 4 78.730 78.730 69.439 9.291 17872 487 1 20 . 1 1 4 4 THR H H 4 8.730 8.730 8.206 0.524 17872 488 1 20 . 1 1 5 5 THR N N 5 115.800 115.800 115.329 0.471 17872 489 1 20 . 1 1 5 5 THR HA H 5 4.530 4.530 4.568 -0.038 17872 490 1 20 . 1 1 5 5 THR CA C 5 59.620 59.620 59.981 -0.361 17872 491 1 20 . 1 1 5 5 THR CB C 5 69.760 69.760 69.077 0.683 17872 492 1 20 . 1 1 5 5 THR H H 5 8.240 8.240 8.233 0.007 17872 493 1 20 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.572 -0.212 17872 494 1 20 . 1 1 6 6 PRO CA C 6 62.910 62.910 62.494 0.416 17872 495 1 20 . 1 1 6 6 PRO CB C 6 32.130 32.130 32.073 0.057 17872 496 1 20 . 1 1 7 7 LEU N N 7 123.300 123.300 120.681 2.619 17872 497 1 20 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.372 -0.132 17872 498 1 20 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.786 0.644 17872 499 1 20 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.152 0.058 17872 500 1 20 . 1 1 7 7 LEU H H 7 8.310 8.310 8.143 0.167 17872 501 1 21 . 1 1 3 3 THR N N 3 113.600 113.600 114.033 -0.433 17872 502 1 21 . 1 1 3 3 THR HA H 3 4.720 4.720 4.569 0.151 17872 503 1 21 . 1 1 3 3 THR C C 3 174.220 174.220 174.415 -0.195 17872 504 1 21 . 1 1 3 3 THR CA C 3 59.880 59.880 61.805 -1.925 17872 505 1 21 . 1 1 3 3 THR CB C 3 79.960 79.960 70.003 9.957 17872 506 1 21 . 1 1 3 3 THR H H 3 8.570 8.570 8.224 0.346 17872 507 1 21 . 1 1 4 4 THR N N 4 112.300 112.300 114.481 -2.181 17872 508 1 21 . 1 1 4 4 THR HA H 4 4.630 4.630 4.549 0.081 17872 509 1 21 . 1 1 4 4 THR C C 4 173.360 173.360 174.275 -0.915 17872 510 1 21 . 1 1 4 4 THR CA C 4 59.240 59.240 60.876 -1.636 17872 511 1 21 . 1 1 4 4 THR CB C 4 78.730 78.730 70.077 8.653 17872 512 1 21 . 1 1 4 4 THR H H 4 8.730 8.730 8.111 0.619 17872 513 1 21 . 1 1 5 5 THR N N 5 115.800 115.800 115.307 0.493 17872 514 1 21 . 1 1 5 5 THR HA H 5 4.530 4.530 4.607 -0.077 17872 515 1 21 . 1 1 5 5 THR CA C 5 59.620 59.620 60.172 -0.552 17872 516 1 21 . 1 1 5 5 THR CB C 5 69.760 69.760 68.410 1.350 17872 517 1 21 . 1 1 5 5 THR H H 5 8.240 8.240 8.142 0.098 17872 518 1 21 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.317 0.043 17872 519 1 21 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.077 -0.167 17872 520 1 21 . 1 1 6 6 PRO CB C 6 32.130 32.130 32.105 0.025 17872 521 1 21 . 1 1 7 7 LEU N N 7 123.300 123.300 121.251 2.049 17872 522 1 21 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.370 -0.130 17872 523 1 21 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.607 0.823 17872 524 1 21 . 1 1 7 7 LEU CB C 7 42.210 42.210 41.906 0.304 17872 525 1 21 . 1 1 7 7 LEU H H 7 8.310 8.310 8.160 0.150 17872 526 1 22 . 1 1 3 3 THR N N 3 113.600 113.600 114.245 -0.645 17872 527 1 22 . 1 1 3 3 THR HA H 3 4.720 4.720 5.068 -0.348 17872 528 1 22 . 1 1 3 3 THR C C 3 174.220 174.220 173.354 0.866 17872 529 1 22 . 1 1 3 3 THR CA C 3 59.880 59.880 61.086 -1.206 17872 530 1 22 . 1 1 3 3 THR CB C 3 79.960 79.960 71.699 8.261 17872 531 1 22 . 1 1 3 3 THR H H 3 8.570 8.570 8.667 -0.097 17872 532 1 22 . 1 1 4 4 THR N N 4 112.300 112.300 113.542 -1.242 17872 533 1 22 . 1 1 4 4 THR HA H 4 4.630 4.630 4.518 0.112 17872 534 1 22 . 1 1 4 4 THR C C 4 173.360 173.360 173.659 -0.299 17872 535 1 22 . 1 1 4 4 THR CA C 4 59.240 59.240 61.398 -2.158 17872 536 1 22 . 1 1 4 4 THR CB C 4 78.730 78.730 71.195 7.535 17872 537 1 22 . 1 1 4 4 THR H H 4 8.730 8.730 8.138 0.592 17872 538 1 22 . 1 1 5 5 THR N N 5 115.800 115.800 117.913 -2.113 17872 539 1 22 . 1 1 5 5 THR HA H 5 4.530 4.530 4.538 -0.008 17872 540 1 22 . 1 1 5 5 THR CA C 5 59.620 59.620 59.989 -0.369 17872 541 1 22 . 1 1 5 5 THR CB C 5 69.760 69.760 69.598 0.162 17872 542 1 22 . 1 1 5 5 THR H H 5 8.240 8.240 8.258 -0.018 17872 543 1 22 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.290 0.070 17872 544 1 22 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.256 -0.346 17872 545 1 22 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.665 0.465 17872 546 1 22 . 1 1 7 7 LEU N N 7 123.300 123.300 124.688 -1.388 17872 547 1 22 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.351 -0.111 17872 548 1 22 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.678 -0.248 17872 549 1 22 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.818 -0.608 17872 550 1 22 . 1 1 7 7 LEU H H 7 8.310 8.310 8.231 0.079 17872 551 1 23 . 1 1 3 3 THR N N 3 113.600 113.600 113.455 0.145 17872 552 1 23 . 1 1 3 3 THR HA H 3 4.720 4.720 4.556 0.164 17872 553 1 23 . 1 1 3 3 THR C C 3 174.220 174.220 174.394 -0.174 17872 554 1 23 . 1 1 3 3 THR CA C 3 59.880 59.880 61.817 -1.937 17872 555 1 23 . 1 1 3 3 THR CB C 3 79.960 79.960 69.908 10.052 17872 556 1 23 . 1 1 3 3 THR H H 3 8.570 8.570 8.233 0.337 17872 557 1 23 . 1 1 4 4 THR N N 4 112.300 112.300 114.470 -2.170 17872 558 1 23 . 1 1 4 4 THR HA H 4 4.630 4.630 4.477 0.153 17872 559 1 23 . 1 1 4 4 THR C C 4 173.360 173.360 174.372 -1.012 17872 560 1 23 . 1 1 4 4 THR CA C 4 59.240 59.240 60.900 -1.660 17872 561 1 23 . 1 1 4 4 THR CB C 4 78.730 78.730 70.042 8.688 17872 562 1 23 . 1 1 4 4 THR H H 4 8.730 8.730 8.097 0.633 17872 563 1 23 . 1 1 5 5 THR N N 5 115.800 115.800 115.678 0.122 17872 564 1 23 . 1 1 5 5 THR HA H 5 4.530 4.530 4.555 -0.025 17872 565 1 23 . 1 1 5 5 THR CA C 5 59.620 59.620 59.795 -0.175 17872 566 1 23 . 1 1 5 5 THR CB C 5 69.760 69.760 69.544 0.216 17872 567 1 23 . 1 1 5 5 THR H H 5 8.240 8.240 8.256 -0.016 17872 568 1 23 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.344 0.016 17872 569 1 23 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.859 -0.949 17872 570 1 23 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.094 1.036 17872 571 1 23 . 1 1 7 7 LEU N N 7 123.300 123.300 124.339 -1.039 17872 572 1 23 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.504 -0.264 17872 573 1 23 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.691 0.739 17872 574 1 23 . 1 1 7 7 LEU CB C 7 42.210 42.210 43.994 -1.784 17872 575 1 23 . 1 1 7 7 LEU H H 7 8.310 8.310 7.893 0.417 17872 576 1 24 . 1 1 3 3 THR N N 3 113.600 113.600 115.296 -1.696 17872 577 1 24 . 1 1 3 3 THR HA H 3 4.720 4.720 4.612 0.108 17872 578 1 24 . 1 1 3 3 THR C C 3 174.220 174.220 173.872 0.348 17872 579 1 24 . 1 1 3 3 THR CA C 3 59.880 59.880 61.165 -1.285 17872 580 1 24 . 1 1 3 3 THR CB C 3 79.960 79.960 69.828 10.132 17872 581 1 24 . 1 1 3 3 THR H H 3 8.570 8.570 8.197 0.373 17872 582 1 24 . 1 1 4 4 THR N N 4 112.300 112.300 111.794 0.506 17872 583 1 24 . 1 1 4 4 THR HA H 4 4.630 4.630 4.552 0.078 17872 584 1 24 . 1 1 4 4 THR C C 4 173.360 173.360 173.775 -0.415 17872 585 1 24 . 1 1 4 4 THR CA C 4 59.240 59.240 62.159 -2.919 17872 586 1 24 . 1 1 4 4 THR CB C 4 78.730 78.730 70.877 7.853 17872 587 1 24 . 1 1 4 4 THR H H 4 8.730 8.730 8.144 0.586 17872 588 1 24 . 1 1 5 5 THR N N 5 115.800 115.800 119.169 -3.369 17872 589 1 24 . 1 1 5 5 THR HA H 5 4.530 4.530 4.589 -0.059 17872 590 1 24 . 1 1 5 5 THR CA C 5 59.620 59.620 61.709 -2.089 17872 591 1 24 . 1 1 5 5 THR CB C 5 69.760 69.760 69.127 0.633 17872 592 1 24 . 1 1 5 5 THR H H 5 8.240 8.240 8.366 -0.126 17872 593 1 24 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.561 -0.201 17872 594 1 24 . 1 1 6 6 PRO CA C 6 62.910 62.910 62.958 -0.048 17872 595 1 24 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.829 0.301 17872 596 1 24 . 1 1 7 7 LEU N N 7 123.300 123.300 121.063 2.237 17872 597 1 24 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.271 -0.031 17872 598 1 24 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.448 -0.018 17872 599 1 24 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.693 -0.483 17872 600 1 24 . 1 1 7 7 LEU H H 7 8.310 8.310 7.665 0.645 17872 601 1 25 . 1 1 3 3 THR N N 3 113.600 113.600 114.682 -1.082 17872 602 1 25 . 1 1 3 3 THR HA H 3 4.720 4.720 4.985 -0.265 17872 603 1 25 . 1 1 3 3 THR C C 3 174.220 174.220 173.863 0.357 17872 604 1 25 . 1 1 3 3 THR CA C 3 59.880 59.880 61.514 -1.634 17872 605 1 25 . 1 1 3 3 THR CB C 3 79.960 79.960 71.065 8.895 17872 606 1 25 . 1 1 3 3 THR H H 3 8.570 8.570 8.658 -0.088 17872 607 1 25 . 1 1 4 4 THR N N 4 112.300 112.300 113.770 -1.470 17872 608 1 25 . 1 1 4 4 THR HA H 4 4.630 4.630 4.574 0.056 17872 609 1 25 . 1 1 4 4 THR C C 4 173.360 173.360 173.268 0.092 17872 610 1 25 . 1 1 4 4 THR CA C 4 59.240 59.240 60.875 -1.635 17872 611 1 25 . 1 1 4 4 THR CB C 4 78.730 78.730 71.281 7.449 17872 612 1 25 . 1 1 4 4 THR H H 4 8.730 8.730 8.395 0.335 17872 613 1 25 . 1 1 5 5 THR N N 5 115.800 115.800 115.159 0.641 17872 614 1 25 . 1 1 5 5 THR HA H 5 4.530 4.530 4.627 -0.097 17872 615 1 25 . 1 1 5 5 THR CA C 5 59.620 59.620 60.826 -1.206 17872 616 1 25 . 1 1 5 5 THR CB C 5 69.760 69.760 69.159 0.601 17872 617 1 25 . 1 1 5 5 THR H H 5 8.240 8.240 8.323 -0.083 17872 618 1 25 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.786 -0.426 17872 619 1 25 . 1 1 6 6 PRO CA C 6 62.910 62.910 62.079 0.831 17872 620 1 25 . 1 1 6 6 PRO CB C 6 32.130 32.130 32.559 -0.429 17872 621 1 25 . 1 1 7 7 LEU N N 7 123.300 123.300 118.415 4.885 17872 622 1 25 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.585 -0.345 17872 623 1 25 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.313 0.117 17872 624 1 25 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.202 0.008 17872 625 1 25 . 1 1 7 7 LEU H H 7 8.310 8.310 8.403 -0.093 17872 626 1 26 . 1 1 3 3 THR N N 3 113.600 113.600 113.180 0.420 17872 627 1 26 . 1 1 3 3 THR HA H 3 4.720 4.720 5.124 -0.404 17872 628 1 26 . 1 1 3 3 THR C C 3 174.220 174.220 173.268 0.952 17872 629 1 26 . 1 1 3 3 THR CA C 3 59.880 59.880 61.468 -1.587 17872 630 1 26 . 1 1 3 3 THR CB C 3 79.960 79.960 70.582 9.378 17872 631 1 26 . 1 1 3 3 THR H H 3 8.570 8.570 8.658 -0.088 17872 632 1 26 . 1 1 4 4 THR N N 4 112.300 112.300 113.531 -1.231 17872 633 1 26 . 1 1 4 4 THR HA H 4 4.630 4.630 4.576 0.054 17872 634 1 26 . 1 1 4 4 THR C C 4 173.360 173.360 173.423 -0.063 17872 635 1 26 . 1 1 4 4 THR CA C 4 59.240 59.240 61.194 -1.954 17872 636 1 26 . 1 1 4 4 THR CB C 4 78.730 78.730 70.512 8.218 17872 637 1 26 . 1 1 4 4 THR H H 4 8.730 8.730 8.088 0.642 17872 638 1 26 . 1 1 5 5 THR N N 5 115.800 115.800 115.570 0.230 17872 639 1 26 . 1 1 5 5 THR HA H 5 4.530 4.530 4.581 -0.051 17872 640 1 26 . 1 1 5 5 THR CA C 5 59.620 59.620 59.165 0.455 17872 641 1 26 . 1 1 5 5 THR CB C 5 69.760 69.760 69.735 0.025 17872 642 1 26 . 1 1 5 5 THR H H 5 8.240 8.240 8.072 0.168 17872 643 1 26 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.401 -0.041 17872 644 1 26 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.364 -0.454 17872 645 1 26 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.728 0.402 17872 646 1 26 . 1 1 7 7 LEU N N 7 123.300 123.300 125.949 -2.649 17872 647 1 26 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.285 -0.045 17872 648 1 26 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.920 -0.490 17872 649 1 26 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.529 -0.319 17872 650 1 26 . 1 1 7 7 LEU H H 7 8.310 8.310 8.103 0.207 17872 651 1 27 . 1 1 3 3 THR N N 3 113.600 113.600 112.740 0.860 17872 652 1 27 . 1 1 3 3 THR HA H 3 4.720 4.720 5.028 -0.308 17872 653 1 27 . 1 1 3 3 THR C C 3 174.220 174.220 173.873 0.347 17872 654 1 27 . 1 1 3 3 THR CA C 3 59.880 59.880 61.424 -1.544 17872 655 1 27 . 1 1 3 3 THR CB C 3 79.960 79.960 69.520 10.440 17872 656 1 27 . 1 1 3 3 THR H H 3 8.570 8.570 8.578 -0.008 17872 657 1 27 . 1 1 4 4 THR N N 4 112.300 112.300 114.072 -1.772 17872 658 1 27 . 1 1 4 4 THR HA H 4 4.630 4.630 4.556 0.074 17872 659 1 27 . 1 1 4 4 THR C C 4 173.360 173.360 173.885 -0.525 17872 660 1 27 . 1 1 4 4 THR CA C 4 59.240 59.240 61.092 -1.852 17872 661 1 27 . 1 1 4 4 THR CB C 4 78.730 78.730 69.403 9.327 17872 662 1 27 . 1 1 4 4 THR H H 4 8.730 8.730 8.089 0.641 17872 663 1 27 . 1 1 5 5 THR N N 5 115.800 115.800 114.727 1.073 17872 664 1 27 . 1 1 5 5 THR HA H 5 4.530 4.530 4.554 -0.024 17872 665 1 27 . 1 1 5 5 THR CA C 5 59.620 59.620 59.575 0.045 17872 666 1 27 . 1 1 5 5 THR CB C 5 69.760 69.760 69.287 0.473 17872 667 1 27 . 1 1 5 5 THR H H 5 8.240 8.240 8.103 0.137 17872 668 1 27 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.436 -0.076 17872 669 1 27 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.173 -0.263 17872 670 1 27 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.986 0.144 17872 671 1 27 . 1 1 7 7 LEU N N 7 123.300 123.300 113.270 10.030 17872 672 1 27 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.700 -0.460 17872 673 1 27 . 1 1 7 7 LEU CA C 7 55.430 55.430 53.734 1.696 17872 674 1 27 . 1 1 7 7 LEU CB C 7 42.210 42.210 43.508 -1.298 17872 675 1 27 . 1 1 7 7 LEU H H 7 8.310 8.310 7.883 0.427 17872 676 1 28 . 1 1 3 3 THR N N 3 113.600 113.600 114.235 -0.635 17872 677 1 28 . 1 1 3 3 THR HA H 3 4.720 4.720 5.024 -0.304 17872 678 1 28 . 1 1 3 3 THR C C 3 174.220 174.220 174.193 0.027 17872 679 1 28 . 1 1 3 3 THR CA C 3 59.880 59.880 61.727 -1.847 17872 680 1 28 . 1 1 3 3 THR CB C 3 79.960 79.960 69.929 10.031 17872 681 1 28 . 1 1 3 3 THR H H 3 8.570 8.570 8.757 -0.187 17872 682 1 28 . 1 1 4 4 THR N N 4 112.300 112.300 113.089 -0.789 17872 683 1 28 . 1 1 4 4 THR HA H 4 4.630 4.630 4.501 0.129 17872 684 1 28 . 1 1 4 4 THR C C 4 173.360 173.360 173.902 -0.542 17872 685 1 28 . 1 1 4 4 THR CA C 4 59.240 59.240 61.045 -1.805 17872 686 1 28 . 1 1 4 4 THR CB C 4 78.730 78.730 70.597 8.134 17872 687 1 28 . 1 1 4 4 THR H H 4 8.730 8.730 7.991 0.739 17872 688 1 28 . 1 1 5 5 THR N N 5 115.800 115.800 114.285 1.515 17872 689 1 28 . 1 1 5 5 THR HA H 5 4.530 4.530 4.537 -0.007 17872 690 1 28 . 1 1 5 5 THR CA C 5 59.620 59.620 60.253 -0.633 17872 691 1 28 . 1 1 5 5 THR CB C 5 69.760 69.760 69.205 0.555 17872 692 1 28 . 1 1 5 5 THR H H 5 8.240 8.240 8.173 0.067 17872 693 1 28 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.609 -0.249 17872 694 1 28 . 1 1 6 6 PRO CA C 6 62.910 62.910 62.767 0.143 17872 695 1 28 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.522 0.608 17872 696 1 28 . 1 1 7 7 LEU N N 7 123.300 123.300 123.241 0.059 17872 697 1 28 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.517 -0.277 17872 698 1 28 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.121 0.309 17872 699 1 28 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.274 -0.064 17872 700 1 28 . 1 1 7 7 LEU H H 7 8.310 8.310 8.147 0.163 17872 701 1 29 . 1 1 3 3 THR N N 3 113.600 113.600 115.176 -1.576 17872 702 1 29 . 1 1 3 3 THR HA H 3 4.720 4.720 4.725 -0.005 17872 703 1 29 . 1 1 3 3 THR C C 3 174.220 174.220 173.965 0.255 17872 704 1 29 . 1 1 3 3 THR CA C 3 59.880 59.880 61.426 -1.546 17872 705 1 29 . 1 1 3 3 THR CB C 3 79.960 79.960 70.169 9.791 17872 706 1 29 . 1 1 3 3 THR H H 3 8.570 8.570 8.056 0.514 17872 707 1 29 . 1 1 4 4 THR N N 4 112.300 112.300 113.634 -1.334 17872 708 1 29 . 1 1 4 4 THR HA H 4 4.630 4.630 4.620 0.010 17872 709 1 29 . 1 1 4 4 THR C C 4 173.360 173.360 173.937 -0.577 17872 710 1 29 . 1 1 4 4 THR CA C 4 59.240 59.240 61.215 -1.975 17872 711 1 29 . 1 1 4 4 THR CB C 4 78.730 78.730 70.357 8.373 17872 712 1 29 . 1 1 4 4 THR H H 4 8.730 8.730 8.061 0.669 17872 713 1 29 . 1 1 5 5 THR N N 5 115.800 115.800 115.029 0.771 17872 714 1 29 . 1 1 5 5 THR HA H 5 4.530 4.530 4.510 0.020 17872 715 1 29 . 1 1 5 5 THR CA C 5 59.620 59.620 59.971 -0.351 17872 716 1 29 . 1 1 5 5 THR CB C 5 69.760 69.760 68.819 0.941 17872 717 1 29 . 1 1 5 5 THR H H 5 8.240 8.240 8.056 0.184 17872 718 1 29 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.282 0.078 17872 719 1 29 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.231 -0.321 17872 720 1 29 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.735 0.395 17872 721 1 29 . 1 1 7 7 LEU N N 7 123.300 123.300 126.159 -2.859 17872 722 1 29 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.330 -0.090 17872 723 1 29 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.473 -0.043 17872 724 1 29 . 1 1 7 7 LEU CB C 7 42.210 42.210 41.685 0.525 17872 725 1 29 . 1 1 7 7 LEU H H 7 8.310 8.310 8.285 0.025 17872 726 1 30 . 1 1 3 3 THR N N 3 113.600 113.600 115.122 -1.522 17872 727 1 30 . 1 1 3 3 THR HA H 3 4.720 4.720 4.694 0.026 17872 728 1 30 . 1 1 3 3 THR C C 3 174.220 174.220 174.344 -0.124 17872 729 1 30 . 1 1 3 3 THR CA C 3 59.880 59.880 62.465 -2.585 17872 730 1 30 . 1 1 3 3 THR CB C 3 79.960 79.960 68.916 11.044 17872 731 1 30 . 1 1 3 3 THR H H 3 8.570 8.570 8.542 0.028 17872 732 1 30 . 1 1 4 4 THR N N 4 112.300 112.300 115.134 -2.834 17872 733 1 30 . 1 1 4 4 THR HA H 4 4.630 4.630 4.588 0.042 17872 734 1 30 . 1 1 4 4 THR C C 4 173.360 173.360 173.343 0.017 17872 735 1 30 . 1 1 4 4 THR CA C 4 59.240 59.240 61.205 -1.965 17872 736 1 30 . 1 1 4 4 THR CB C 4 78.730 78.730 69.915 8.815 17872 737 1 30 . 1 1 4 4 THR H H 4 8.730 8.730 7.881 0.849 17872 738 1 30 . 1 1 5 5 THR N N 5 115.800 115.800 116.697 -0.897 17872 739 1 30 . 1 1 5 5 THR HA H 5 4.530 4.530 4.586 -0.056 17872 740 1 30 . 1 1 5 5 THR CA C 5 59.620 59.620 60.440 -0.820 17872 741 1 30 . 1 1 5 5 THR CB C 5 69.760 69.760 69.165 0.595 17872 742 1 30 . 1 1 5 5 THR H H 5 8.240 8.240 8.306 -0.066 17872 743 1 30 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.312 0.048 17872 744 1 30 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.012 -0.102 17872 745 1 30 . 1 1 6 6 PRO CB C 6 32.130 32.130 32.152 -0.022 17872 746 1 30 . 1 1 7 7 LEU N N 7 123.300 123.300 121.522 1.778 17872 747 1 30 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.311 -0.071 17872 748 1 30 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.167 0.263 17872 749 1 30 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.132 0.078 17872 750 1 30 . 1 1 7 7 LEU H H 7 8.310 8.310 8.251 0.059 17872 751 1 31 . 1 1 3 3 THR N N 3 113.600 113.600 114.853 -1.253 17872 752 1 31 . 1 1 3 3 THR HA H 3 4.720 4.720 5.052 -0.332 17872 753 1 31 . 1 1 3 3 THR C C 3 174.220 174.220 174.439 -0.219 17872 754 1 31 . 1 1 3 3 THR CA C 3 59.880 59.880 61.841 -1.961 17872 755 1 31 . 1 1 3 3 THR CB C 3 79.960 79.960 70.345 9.615 17872 756 1 31 . 1 1 3 3 THR H H 3 8.570 8.570 8.546 0.024 17872 757 1 31 . 1 1 4 4 THR N N 4 112.300 112.300 112.975 -0.675 17872 758 1 31 . 1 1 4 4 THR HA H 4 4.630 4.630 4.539 0.091 17872 759 1 31 . 1 1 4 4 THR C C 4 173.360 173.360 173.868 -0.508 17872 760 1 31 . 1 1 4 4 THR CA C 4 59.240 59.240 61.342 -2.102 17872 761 1 31 . 1 1 4 4 THR CB C 4 78.730 78.730 70.628 8.102 17872 762 1 31 . 1 1 4 4 THR H H 4 8.730 8.730 8.153 0.577 17872 763 1 31 . 1 1 5 5 THR N N 5 115.800 115.800 114.154 1.646 17872 764 1 31 . 1 1 5 5 THR HA H 5 4.530 4.530 4.643 -0.113 17872 765 1 31 . 1 1 5 5 THR CA C 5 59.620 59.620 59.730 -0.110 17872 766 1 31 . 1 1 5 5 THR CB C 5 69.760 69.760 69.003 0.757 17872 767 1 31 . 1 1 5 5 THR H H 5 8.240 8.240 8.223 0.017 17872 768 1 31 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.551 -0.191 17872 769 1 31 . 1 1 6 6 PRO CA C 6 62.910 62.910 62.741 0.169 17872 770 1 31 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.674 0.456 17872 771 1 31 . 1 1 7 7 LEU N N 7 123.300 123.300 126.412 -3.112 17872 772 1 31 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.382 -0.142 17872 773 1 31 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.454 -0.024 17872 774 1 31 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.769 -0.559 17872 775 1 31 . 1 1 7 7 LEU H H 7 8.310 8.310 8.457 -0.147 17872 776 1 32 . 1 1 3 3 THR N N 3 113.600 113.600 113.631 -0.031 17872 777 1 32 . 1 1 3 3 THR HA H 3 4.720 4.720 5.074 -0.354 17872 778 1 32 . 1 1 3 3 THR C C 3 174.220 174.220 174.059 0.161 17872 779 1 32 . 1 1 3 3 THR CA C 3 59.880 59.880 61.524 -1.644 17872 780 1 32 . 1 1 3 3 THR CB C 3 79.960 79.960 70.419 9.541 17872 781 1 32 . 1 1 3 3 THR H H 3 8.570 8.570 8.718 -0.148 17872 782 1 32 . 1 1 4 4 THR N N 4 112.300 112.300 113.008 -0.708 17872 783 1 32 . 1 1 4 4 THR HA H 4 4.630 4.630 4.472 0.158 17872 784 1 32 . 1 1 4 4 THR C C 4 173.360 173.360 173.796 -0.436 17872 785 1 32 . 1 1 4 4 THR CA C 4 59.240 59.240 60.946 -1.706 17872 786 1 32 . 1 1 4 4 THR CB C 4 78.730 78.730 70.555 8.175 17872 787 1 32 . 1 1 4 4 THR H H 4 8.730 8.730 8.025 0.705 17872 788 1 32 . 1 1 5 5 THR N N 5 115.800 115.800 117.364 -1.564 17872 789 1 32 . 1 1 5 5 THR HA H 5 4.530 4.530 4.604 -0.074 17872 790 1 32 . 1 1 5 5 THR CA C 5 59.620 59.620 60.662 -1.042 17872 791 1 32 . 1 1 5 5 THR CB C 5 69.760 69.760 69.573 0.187 17872 792 1 32 . 1 1 5 5 THR H H 5 8.240 8.240 8.216 0.024 17872 793 1 32 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.416 -0.056 17872 794 1 32 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.282 -0.372 17872 795 1 32 . 1 1 6 6 PRO CB C 6 32.130 32.130 32.148 -0.018 17872 796 1 32 . 1 1 7 7 LEU N N 7 123.300 123.300 115.208 8.092 17872 797 1 32 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.750 -0.510 17872 798 1 32 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.994 0.436 17872 799 1 32 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.731 -0.521 17872 800 1 32 . 1 1 7 7 LEU H H 7 8.310 8.310 8.350 -0.040 17872 801 1 33 . 1 1 3 3 THR N N 3 113.600 113.600 115.144 -1.544 17872 802 1 33 . 1 1 3 3 THR HA H 3 4.720 4.720 5.022 -0.302 17872 803 1 33 . 1 1 3 3 THR C C 3 174.220 174.220 173.832 0.388 17872 804 1 33 . 1 1 3 3 THR CA C 3 59.880 59.880 61.579 -1.699 17872 805 1 33 . 1 1 3 3 THR CB C 3 79.960 79.960 70.904 9.056 17872 806 1 33 . 1 1 3 3 THR H H 3 8.570 8.570 8.507 0.063 17872 807 1 33 . 1 1 4 4 THR N N 4 112.300 112.300 113.751 -1.451 17872 808 1 33 . 1 1 4 4 THR HA H 4 4.630 4.630 4.500 0.130 17872 809 1 33 . 1 1 4 4 THR C C 4 173.360 173.360 173.629 -0.269 17872 810 1 33 . 1 1 4 4 THR CA C 4 59.240 59.240 61.279 -2.039 17872 811 1 33 . 1 1 4 4 THR CB C 4 78.730 78.730 70.908 7.822 17872 812 1 33 . 1 1 4 4 THR H H 4 8.730 8.730 8.150 0.580 17872 813 1 33 . 1 1 5 5 THR N N 5 115.800 115.800 115.136 0.664 17872 814 1 33 . 1 1 5 5 THR HA H 5 4.530 4.530 4.587 -0.057 17872 815 1 33 . 1 1 5 5 THR CA C 5 59.620 59.620 59.923 -0.304 17872 816 1 33 . 1 1 5 5 THR CB C 5 69.760 69.760 68.495 1.265 17872 817 1 33 . 1 1 5 5 THR H H 5 8.240 8.240 8.039 0.201 17872 818 1 33 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.322 0.038 17872 819 1 33 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.086 -0.176 17872 820 1 33 . 1 1 6 6 PRO CB C 6 32.130 32.130 32.099 0.031 17872 821 1 33 . 1 1 7 7 LEU N N 7 123.300 123.300 124.443 -1.143 17872 822 1 33 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.320 -0.080 17872 823 1 33 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.179 0.251 17872 824 1 33 . 1 1 7 7 LEU CB C 7 42.210 42.210 41.697 0.513 17872 825 1 33 . 1 1 7 7 LEU H H 7 8.310 8.310 8.338 -0.028 17872 826 1 34 . 1 1 3 3 THR N N 3 113.600 113.600 113.878 -0.278 17872 827 1 34 . 1 1 3 3 THR HA H 3 4.720 4.720 5.108 -0.388 17872 828 1 34 . 1 1 3 3 THR C C 3 174.220 174.220 174.096 0.124 17872 829 1 34 . 1 1 3 3 THR CA C 3 59.880 59.880 61.616 -1.736 17872 830 1 34 . 1 1 3 3 THR CB C 3 79.960 79.960 70.080 9.880 17872 831 1 34 . 1 1 3 3 THR H H 3 8.570 8.570 8.585 -0.015 17872 832 1 34 . 1 1 4 4 THR N N 4 112.300 112.300 113.281 -0.981 17872 833 1 34 . 1 1 4 4 THR HA H 4 4.630 4.630 4.483 0.147 17872 834 1 34 . 1 1 4 4 THR C C 4 173.360 173.360 173.778 -0.418 17872 835 1 34 . 1 1 4 4 THR CA C 4 59.240 59.240 61.263 -2.023 17872 836 1 34 . 1 1 4 4 THR CB C 4 78.730 78.730 70.434 8.296 17872 837 1 34 . 1 1 4 4 THR H H 4 8.730 8.730 8.179 0.551 17872 838 1 34 . 1 1 5 5 THR N N 5 115.800 115.800 114.826 0.974 17872 839 1 34 . 1 1 5 5 THR HA H 5 4.530 4.530 4.616 -0.086 17872 840 1 34 . 1 1 5 5 THR CA C 5 59.620 59.620 60.301 -0.681 17872 841 1 34 . 1 1 5 5 THR CB C 5 69.760 69.760 68.753 1.007 17872 842 1 34 . 1 1 5 5 THR H H 5 8.240 8.240 8.301 -0.061 17872 843 1 34 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.543 -0.183 17872 844 1 34 . 1 1 6 6 PRO CA C 6 62.910 62.910 62.749 0.161 17872 845 1 34 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.730 0.400 17872 846 1 34 . 1 1 7 7 LEU N N 7 123.300 123.300 127.554 -4.254 17872 847 1 34 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.343 -0.103 17872 848 1 34 . 1 1 7 7 LEU CA C 7 55.430 55.430 55.134 0.296 17872 849 1 34 . 1 1 7 7 LEU CB C 7 42.210 42.210 39.910 2.300 17872 850 1 34 . 1 1 7 7 LEU H H 7 8.310 8.310 8.674 -0.364 17872 851 1 35 . 1 1 3 3 THR N N 3 113.600 113.600 113.032 0.568 17872 852 1 35 . 1 1 3 3 THR HA H 3 4.720 4.720 5.053 -0.333 17872 853 1 35 . 1 1 3 3 THR C C 3 174.220 174.220 173.342 0.878 17872 854 1 35 . 1 1 3 3 THR CA C 3 59.880 59.880 61.241 -1.361 17872 855 1 35 . 1 1 3 3 THR CB C 3 79.960 79.960 71.290 8.670 17872 856 1 35 . 1 1 3 3 THR H H 3 8.570 8.570 8.631 -0.061 17872 857 1 35 . 1 1 4 4 THR N N 4 112.300 112.300 114.939 -2.639 17872 858 1 35 . 1 1 4 4 THR HA H 4 4.630 4.630 4.549 0.081 17872 859 1 35 . 1 1 4 4 THR C C 4 173.360 173.360 173.662 -0.302 17872 860 1 35 . 1 1 4 4 THR CA C 4 59.240 59.240 61.378 -2.138 17872 861 1 35 . 1 1 4 4 THR CB C 4 78.730 78.730 70.564 8.166 17872 862 1 35 . 1 1 4 4 THR H H 4 8.730 8.730 8.104 0.626 17872 863 1 35 . 1 1 5 5 THR N N 5 115.800 115.800 115.265 0.535 17872 864 1 35 . 1 1 5 5 THR HA H 5 4.530 4.530 4.535 -0.005 17872 865 1 35 . 1 1 5 5 THR CA C 5 59.620 59.620 60.109 -0.490 17872 866 1 35 . 1 1 5 5 THR CB C 5 69.760 69.760 68.438 1.323 17872 867 1 35 . 1 1 5 5 THR H H 5 8.240 8.240 8.064 0.176 17872 868 1 35 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.318 0.042 17872 869 1 35 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.331 -0.421 17872 870 1 35 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.765 0.365 17872 871 1 35 . 1 1 7 7 LEU N N 7 123.300 123.300 125.252 -1.952 17872 872 1 35 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.362 -0.122 17872 873 1 35 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.928 0.502 17872 874 1 35 . 1 1 7 7 LEU CB C 7 42.210 42.210 40.892 1.318 17872 875 1 35 . 1 1 7 7 LEU H H 7 8.310 8.310 8.227 0.083 17872 876 1 36 . 1 1 3 3 THR N N 3 113.600 113.600 114.869 -1.269 17872 877 1 36 . 1 1 3 3 THR HA H 3 4.720 4.720 4.662 0.058 17872 878 1 36 . 1 1 3 3 THR C C 3 174.220 174.220 173.846 0.374 17872 879 1 36 . 1 1 3 3 THR CA C 3 59.880 59.880 61.115 -1.235 17872 880 1 36 . 1 1 3 3 THR CB C 3 79.960 79.960 70.912 9.048 17872 881 1 36 . 1 1 3 3 THR H H 3 8.570 8.570 7.946 0.624 17872 882 1 36 . 1 1 4 4 THR N N 4 112.300 112.300 114.923 -2.623 17872 883 1 36 . 1 1 4 4 THR HA H 4 4.630 4.630 4.600 0.030 17872 884 1 36 . 1 1 4 4 THR C C 4 173.360 173.360 174.647 -1.287 17872 885 1 36 . 1 1 4 4 THR CA C 4 59.240 59.240 61.778 -2.538 17872 886 1 36 . 1 1 4 4 THR CB C 4 78.730 78.730 69.812 8.918 17872 887 1 36 . 1 1 4 4 THR H H 4 8.730 8.730 8.207 0.523 17872 888 1 36 . 1 1 5 5 THR N N 5 115.800 115.800 115.998 -0.198 17872 889 1 36 . 1 1 5 5 THR HA H 5 4.530 4.530 4.522 0.008 17872 890 1 36 . 1 1 5 5 THR CA C 5 59.620 59.620 59.948 -0.328 17872 891 1 36 . 1 1 5 5 THR CB C 5 69.760 69.760 69.490 0.270 17872 892 1 36 . 1 1 5 5 THR H H 5 8.240 8.240 8.115 0.125 17872 893 1 36 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.368 -0.008 17872 894 1 36 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.833 -0.923 17872 895 1 36 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.002 1.128 17872 896 1 36 . 1 1 7 7 LEU N N 7 123.300 123.300 123.354 -0.054 17872 897 1 36 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.501 -0.261 17872 898 1 36 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.469 0.961 17872 899 1 36 . 1 1 7 7 LEU CB C 7 42.210 42.210 44.471 -2.260 17872 900 1 36 . 1 1 7 7 LEU H H 7 8.310 8.310 7.894 0.416 17872 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 4 1.844 1.242 1.573 17872 2 1 1 "Average Difference" HA 5 0.160 0.043 0.172 17872 3 1 1 "Average Difference" C 2 0.618 -0.198 0.828 17872 4 1 1 "Average Difference" CA 5 1.170 0.834 0.917 17872 5 1 1 "Average Difference" CB 5 5.464 -3.572 4.624 17872 6 1 1 "Average Difference" HN 4 0.380 -0.145 0.406 17872 7 1 2 "Average Difference" N 4 2.149 0.751 2.325 17872 8 1 2 "Average Difference" HA 5 0.152 0.099 0.129 17872 9 1 2 "Average Difference" C 2 0.770 0.353 0.967 17872 10 1 2 "Average Difference" CA 5 1.108 0.601 1.041 17872 11 1 2 "Average Difference" CB 5 5.729 -4.293 4.241 17872 12 1 2 "Average Difference" HN 4 0.340 -0.016 0.392 17872 13 1 3 "Average Difference" N 4 1.397 0.670 1.416 17872 14 1 3 "Average Difference" HA 5 0.163 0.048 0.175 17872 15 1 3 "Average Difference" C 2 0.741 -0.146 1.027 17872 16 1 3 "Average Difference" CA 5 1.108 0.732 0.930 17872 17 1 3 "Average Difference" CB 5 5.084 -3.357 4.268 17872 18 1 3 "Average Difference" HN 4 0.315 -0.153 0.318 17872 19 1 4 "Average Difference" N 4 1.401 -0.048 1.617 17872 20 1 4 "Average Difference" HA 5 0.126 0.057 0.126 17872 21 1 4 "Average Difference" C 2 0.671 -0.280 0.862 17872 22 1 4 "Average Difference" CA 5 1.814 1.156 1.564 17872 23 1 4 "Average Difference" CB 5 5.546 -3.732 4.586 17872 24 1 4 "Average Difference" HN 4 0.442 -0.373 0.274 17872 25 1 5 "Average Difference" N 4 1.344 0.999 1.037 17872 26 1 5 "Average Difference" HA 5 0.168 0.062 0.174 17872 27 1 5 "Average Difference" C 2 0.688 -0.258 0.902 17872 28 1 5 "Average Difference" CA 5 1.308 0.876 1.086 17872 29 1 5 "Average Difference" CB 5 5.278 -3.588 4.328 17872 30 1 5 "Average Difference" HN 4 0.301 -0.135 0.311 17872 31 1 6 "Average Difference" N 4 0.908 0.663 0.715 17872 32 1 6 "Average Difference" HA 5 0.285 0.141 0.277 17872 33 1 6 "Average Difference" C 2 0.190 0.073 0.248 17872 34 1 6 "Average Difference" CA 5 1.207 0.707 1.093 17872 35 1 6 "Average Difference" CB 5 5.716 -3.488 5.062 17872 36 1 6 "Average Difference" HN 4 0.387 -0.270 0.319 17872 37 1 7 "Average Difference" N 4 1.033 0.665 0.912 17872 38 1 7 "Average Difference" HA 5 0.157 0.070 0.158 17872 39 1 7 "Average Difference" C 2 0.265 0.195 0.254 17872 40 1 7 "Average Difference" CA 5 1.356 0.944 1.088 17872 41 1 7 "Average Difference" CB 5 5.654 -3.679 4.801 17872 42 1 7 "Average Difference" HN 4 0.405 -0.335 0.262 17872 43 1 8 "Average Difference" N 4 1.503 0.061 1.734 17872 44 1 8 "Average Difference" HA 5 0.206 0.147 0.162 17872 45 1 8 "Average Difference" C 2 0.657 -0.087 0.921 17872 46 1 8 "Average Difference" CA 5 1.119 0.892 0.755 17872 47 1 8 "Average Difference" CB 5 5.406 -3.439 4.663 17872 48 1 8 "Average Difference" HN 4 0.328 -0.127 0.349 17872 49 1 9 "Average Difference" N 4 2.171 1.143 2.131 17872 50 1 9 "Average Difference" HA 5 0.103 -0.056 0.097 17872 51 1 9 "Average Difference" C 2 1.029 0.994 0.374 17872 52 1 9 "Average Difference" CA 5 1.198 0.775 1.021 17872 53 1 9 "Average Difference" CB 5 5.927 -4.233 4.639 17872 54 1 9 "Average Difference" HN 4 0.318 -0.272 0.190 17872 55 1 10 "Average Difference" N 4 0.964 0.665 0.807 17872 56 1 10 "Average Difference" HA 5 0.205 0.120 0.186 17872 57 1 10 "Average Difference" C 2 0.641 -0.382 0.728 17872 58 1 10 "Average Difference" CA 5 1.272 0.717 1.175 17872 59 1 10 "Average Difference" CB 5 5.253 -3.067 4.767 17872 60 1 10 "Average Difference" HN 4 0.303 -0.228 0.230 17872 61 1 11 "Average Difference" N 4 1.713 0.949 1.646 17872 62 1 11 "Average Difference" HA 5 0.172 0.090 0.164 17872 63 1 11 "Average Difference" C 2 0.625 0.096 0.874 17872 64 1 11 "Average Difference" CA 5 1.256 0.757 1.121 17872 65 1 11 "Average Difference" CB 5 5.412 -3.508 4.608 17872 66 1 11 "Average Difference" HN 4 0.379 -0.350 0.167 17872 67 1 12 "Average Difference" N 4 1.823 1.138 1.644 17872 68 1 12 "Average Difference" HA 5 0.232 0.034 0.257 17872 69 1 12 "Average Difference" C 2 1.320 1.312 0.203 17872 70 1 12 "Average Difference" CA 5 1.209 0.810 1.004 17872 71 1 12 "Average Difference" CB 5 5.886 -3.728 5.092 17872 72 1 12 "Average Difference" HN 4 0.424 -0.357 0.265 17872 73 1 13 "Average Difference" N 4 1.546 0.383 1.729 17872 74 1 13 "Average Difference" HA 5 0.152 0.100 0.128 17872 75 1 13 "Average Difference" C 2 0.340 -0.338 0.054 17872 76 1 13 "Average Difference" CA 5 1.188 0.580 1.159 17872 77 1 13 "Average Difference" CB 5 5.259 -3.862 3.991 17872 78 1 13 "Average Difference" HN 4 0.192 -0.071 0.205 17872 79 1 14 "Average Difference" N 4 0.928 0.332 1.000 17872 80 1 14 "Average Difference" HA 5 0.138 0.085 0.121 17872 81 1 14 "Average Difference" C 2 0.604 0.600 0.100 17872 82 1 14 "Average Difference" CA 5 1.433 0.981 1.167 17872 83 1 14 "Average Difference" CB 5 6.067 -3.387 5.628 17872 84 1 14 "Average Difference" HN 4 0.363 -0.335 0.160 17872 85 1 15 "Average Difference" N 4 0.649 0.167 0.723 17872 86 1 15 "Average Difference" HA 5 0.252 0.133 0.239 17872 87 1 15 "Average Difference" C 2 0.648 -0.294 0.816 17872 88 1 15 "Average Difference" CA 5 1.288 0.621 1.262 17872 89 1 15 "Average Difference" CB 5 5.593 -3.143 5.173 17872 90 1 15 "Average Difference" HN 4 0.392 -0.235 0.362 17872 91 1 16 "Average Difference" N 4 2.017 1.677 1.294 17872 92 1 16 "Average Difference" HA 5 0.137 0.053 0.141 17872 93 1 16 "Average Difference" C 2 0.331 0.293 0.219 17872 94 1 16 "Average Difference" CA 5 1.340 0.893 1.117 17872 95 1 16 "Average Difference" CB 5 5.659 -4.061 4.406 17872 96 1 16 "Average Difference" HN 4 0.426 -0.078 0.484 17872 97 1 17 "Average Difference" N 4 1.163 0.697 1.075 17872 98 1 17 "Average Difference" HA 5 0.206 0.167 0.135 17872 99 1 17 "Average Difference" C 2 0.342 0.016 0.484 17872 100 1 17 "Average Difference" CA 5 1.270 0.825 1.079 17872 101 1 17 "Average Difference" CB 5 5.537 -3.626 4.678 17872 102 1 17 "Average Difference" HN 4 0.380 -0.262 0.319 17872 103 1 18 "Average Difference" N 4 0.902 0.854 0.336 17872 104 1 18 "Average Difference" HA 5 0.141 0.041 0.151 17872 105 1 18 "Average Difference" C 2 0.576 0.494 0.418 17872 106 1 18 "Average Difference" CA 5 1.114 0.771 0.899 17872 107 1 18 "Average Difference" CB 5 5.746 -3.666 4.947 17872 108 1 18 "Average Difference" HN 4 0.279 -0.137 0.281 17872 109 1 19 "Average Difference" N 4 1.637 1.313 1.128 17872 110 1 19 "Average Difference" HA 5 0.116 0.056 0.113 17872 111 1 19 "Average Difference" C 2 0.761 0.288 0.996 17872 112 1 19 "Average Difference" CA 5 1.295 0.769 1.166 17872 113 1 19 "Average Difference" CB 5 5.574 -3.649 4.711 17872 114 1 19 "Average Difference" HN 4 0.287 -0.172 0.266 17872 115 1 20 "Average Difference" N 4 1.539 -0.238 1.755 17872 116 1 20 "Average Difference" HA 5 0.173 0.092 0.164 17872 117 1 20 "Average Difference" C 2 0.821 0.808 0.200 17872 118 1 20 "Average Difference" CA 5 1.269 0.624 1.236 17872 119 1 20 "Average Difference" CB 5 6.174 -4.056 5.205 17872 120 1 20 "Average Difference" HN 4 0.287 -0.216 0.218 17872 121 1 21 "Average Difference" N 4 1.532 0.018 1.769 17872 122 1 21 "Average Difference" HA 5 0.104 -0.014 0.115 17872 123 1 21 "Average Difference" C 2 0.662 0.555 0.509 17872 124 1 21 "Average Difference" CA 5 1.216 0.691 1.118 17872 125 1 21 "Average Difference" CB 5 5.932 -4.058 4.838 17872 126 1 21 "Average Difference" HN 4 0.365 -0.303 0.236 17872 127 1 22 "Average Difference" N 4 1.445 1.347 0.603 17872 128 1 22 "Average Difference" HA 5 0.174 0.057 0.184 17872 129 1 22 "Average Difference" C 2 0.648 -0.284 0.824 17872 130 1 22 "Average Difference" CA 5 1.134 0.865 0.819 17872 131 1 22 "Average Difference" CB 5 5.013 -3.163 4.348 17872 132 1 22 "Average Difference" HN 4 0.302 -0.139 0.310 17872 133 1 23 "Average Difference" N 4 1.207 0.735 1.105 17872 134 1 23 "Average Difference" HA 5 0.155 -0.009 0.173 17872 135 1 23 "Average Difference" C 2 0.726 0.593 0.593 17872 136 1 23 "Average Difference" CA 5 1.264 0.796 1.097 17872 137 1 23 "Average Difference" CB 5 6.014 -3.641 5.351 17872 138 1 23 "Average Difference" HN 4 0.415 -0.343 0.270 17872 139 1 24 "Average Difference" N 4 2.207 0.580 2.459 17872 140 1 24 "Average Difference" HA 5 0.112 0.021 0.123 17872 141 1 24 "Average Difference" C 2 0.383 0.033 0.540 17872 142 1 24 "Average Difference" CA 5 1.705 1.272 1.270 17872 143 1 24 "Average Difference" CB 5 5.745 -3.687 4.926 17872 144 1 24 "Average Difference" HN 4 0.478 -0.370 0.351 17872 145 1 25 "Average Difference" N 4 2.627 -0.744 2.909 17872 146 1 25 "Average Difference" HA 5 0.277 0.215 0.194 17872 147 1 25 "Average Difference" C 2 0.261 -0.224 0.187 17872 148 1 25 "Average Difference" CA 5 1.225 0.705 1.120 17872 149 1 25 "Average Difference" CB 5 5.199 -3.305 4.487 17872 150 1 25 "Average Difference" HN 4 0.184 -0.018 0.211 17872 151 1 26 "Average Difference" N 4 1.480 0.807 1.432 17872 152 1 26 "Average Difference" HA 5 0.186 0.097 0.177 17872 153 1 26 "Average Difference" C 2 0.675 -0.444 0.718 17872 154 1 26 "Average Difference" CA 5 1.183 0.806 0.967 17872 155 1 26 "Average Difference" CB 5 5.581 -3.541 4.823 17872 156 1 26 "Average Difference" HN 4 0.350 -0.232 0.303 17872 157 1 27 "Average Difference" N 4 5.139 -2.548 5.153 17872 158 1 27 "Average Difference" HA 5 0.252 0.159 0.219 17872 159 1 27 "Average Difference" C 2 0.445 0.089 0.617 17872 160 1 27 "Average Difference" CA 5 1.324 0.384 1.416 17872 161 1 27 "Average Difference" CB 5 6.291 -3.817 5.592 17872 162 1 27 "Average Difference" HN 4 0.391 -0.299 0.291 17872 163 1 28 "Average Difference" N 4 0.912 -0.038 1.052 17872 164 1 28 "Average Difference" HA 5 0.223 0.142 0.192 17872 165 1 28 "Average Difference" C 2 0.384 0.257 0.402 17872 166 1 28 "Average Difference" CA 5 1.199 0.767 1.030 17872 167 1 28 "Average Difference" CB 5 5.787 -3.853 4.828 17872 168 1 28 "Average Difference" HN 4 0.391 -0.196 0.391 17872 169 1 29 "Average Difference" N 4 1.805 1.249 1.504 17872 170 1 29 "Average Difference" HA 5 0.054 -0.003 0.060 17872 171 1 29 "Average Difference" C 2 0.446 0.161 0.588 17872 172 1 29 "Average Difference" CA 5 1.142 0.847 0.856 17872 173 1 29 "Average Difference" CB 5 5.784 -4.005 4.666 17872 174 1 29 "Average Difference" HN 4 0.432 -0.348 0.295 17872 175 1 30 "Average Difference" N 4 1.892 0.869 1.940 17872 176 1 30 "Average Difference" HA 5 0.051 0.002 0.057 17872 177 1 30 "Average Difference" C 2 0.088 0.053 0.100 17872 178 1 30 "Average Difference" CA 5 1.503 1.042 1.211 17872 179 1 30 "Average Difference" CB 5 6.325 -4.102 5.383 17872 180 1 30 "Average Difference" HN 4 0.427 -0.217 0.425 17872 181 1 31 "Average Difference" N 4 1.899 0.848 1.961 17872 182 1 31 "Average Difference" HA 5 0.194 0.137 0.153 17872 183 1 31 "Average Difference" C 2 0.391 0.363 0.204 17872 184 1 31 "Average Difference" CA 5 1.289 0.805 1.125 17872 185 1 31 "Average Difference" CB 5 5.642 -3.674 4.787 17872 186 1 31 "Average Difference" HN 4 0.298 -0.118 0.316 17872 187 1 32 "Average Difference" N 4 4.136 -1.447 4.474 17872 188 1 32 "Average Difference" HA 5 0.289 0.167 0.264 17872 189 1 32 "Average Difference" C 2 0.329 0.138 0.422 17872 190 1 32 "Average Difference" CA 5 1.185 0.865 0.906 17872 191 1 32 "Average Difference" CB 5 5.624 -3.473 4.946 17872 192 1 32 "Average Difference" HN 4 0.361 -0.135 0.387 17872 193 1 33 "Average Difference" N 4 1.249 0.868 1.036 17872 194 1 33 "Average Difference" HA 5 0.154 0.054 0.162 17872 195 1 33 "Average Difference" C 2 0.334 -0.060 0.465 17872 196 1 33 "Average Difference" CA 5 1.203 0.793 1.010 17872 197 1 33 "Average Difference" CB 5 5.386 -3.737 4.336 17872 198 1 33 "Average Difference" HN 4 0.309 -0.204 0.268 17872 199 1 34 "Average Difference" N 4 2.241 1.135 2.231 17872 200 1 34 "Average Difference" HA 5 0.211 0.123 0.192 17872 201 1 34 "Average Difference" C 2 0.308 0.147 0.383 17872 202 1 34 "Average Difference" CA 5 1.240 0.797 1.062 17872 203 1 34 "Average Difference" CB 5 5.881 -4.377 4.391 17872 204 1 34 "Average Difference" HN 4 0.332 -0.028 0.382 17872 205 1 35 "Average Difference" N 4 1.687 0.872 1.668 17872 206 1 35 "Average Difference" HA 5 0.164 0.067 0.167 17872 207 1 35 "Average Difference" C 2 0.657 -0.288 0.834 17872 208 1 35 "Average Difference" CA 5 1.191 0.781 1.005 17872 209 1 35 "Average Difference" CB 5 5.394 -3.968 4.085 17872 210 1 35 "Average Difference" HN 4 0.329 -0.206 0.296 17872 211 1 36 "Average Difference" N 4 1.461 1.036 1.189 17872 212 1 36 "Average Difference" HA 5 0.120 0.035 0.129 17872 213 1 36 "Average Difference" C 2 0.948 0.456 1.175 17872 214 1 36 "Average Difference" CA 5 1.404 0.813 1.279 17872 215 1 36 "Average Difference" CB 5 5.794 -3.420 5.228 17872 216 1 36 "Average Difference" HN 4 0.462 -0.422 0.216 17872 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 17872 _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 3 113.600 113.600 114.157 -0.557 17872 2 1 . 1 1 3 3 THR HA H 3 4.720 4.720 4.925 -0.205 17872 3 1 . 1 1 3 3 THR C C 3 174.220 174.220 173.976 0.244 17872 4 1 . 1 1 3 3 THR CA C 3 59.880 59.880 61.509 -1.629 17872 5 1 . 1 1 3 3 THR CB C 3 79.960 79.960 70.555 9.405 17872 6 1 . 1 1 3 3 THR H H 3 8.570 8.570 8.522 0.048 17872 7 1 . 1 1 4 4 THR N N 4 112.300 112.300 113.828 -1.528 17872 8 1 . 1 1 4 4 THR HA H 4 4.630 4.630 4.536 0.094 17872 9 1 . 1 1 4 4 THR C C 4 173.360 173.360 173.887 -0.527 17872 10 1 . 1 1 4 4 THR CA C 4 59.240 59.240 61.249 -2.009 17872 11 1 . 1 1 4 4 THR CB C 4 78.730 78.730 70.464 8.266 17872 12 1 . 1 1 4 4 THR H H 4 8.730 8.730 8.132 0.598 17872 13 1 . 1 1 5 5 THR N N 5 115.800 115.800 115.764 0.036 17872 14 1 . 1 1 5 5 THR HA H 5 4.530 4.530 4.572 -0.042 17872 15 1 . 1 1 5 5 THR CA C 5 59.620 59.620 60.163 -0.543 17872 16 1 . 1 1 5 5 THR CB C 5 69.760 69.760 69.181 0.579 17872 17 1 . 1 1 5 5 THR H H 5 8.240 8.240 8.162 0.078 17872 18 1 . 1 1 6 6 PRO HA H 6 4.360 4.360 4.414 -0.054 17872 19 1 . 1 1 6 6 PRO CA C 6 62.910 62.910 63.191 -0.281 17872 20 1 . 1 1 6 6 PRO CB C 6 32.130 32.130 31.716 0.414 17872 21 1 . 1 1 7 7 LEU N N 7 123.300 123.300 123.437 -0.137 17872 22 1 . 1 1 7 7 LEU HA H 7 4.240 4.240 4.426 -0.186 17872 23 1 . 1 1 7 7 LEU CA C 7 55.430 55.430 54.982 0.448 17872 24 1 . 1 1 7 7 LEU CB C 7 42.210 42.210 42.407 -0.197 17872 25 1 . 1 1 7 7 LEU H H 7 8.310 8.310 8.163 0.147 17872 stop_ save_