data_19759 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19759 _Entry.PDB_ID 2MK7 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 19759 _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 PRO HA H 3 4.650 4.650 4.459 0.191 19759 2 1 1 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.998 -1.228 19759 3 1 1 . 1 1 3 3 PRO CB C 3 32.120 32.120 31.709 0.411 19759 4 1 1 . 1 1 4 4 THR N N 4 113.200 113.200 116.260 -3.060 19759 5 1 1 . 1 1 4 4 THR HA H 4 4.710 4.710 4.469 0.241 19759 6 1 1 . 1 1 4 4 THR CA C 4 59.900 59.900 60.785 -0.885 19759 7 1 1 . 1 1 4 4 THR CB C 4 79.320 79.320 70.168 9.152 19759 8 1 1 . 1 1 4 4 THR H H 4 8.710 8.710 8.012 0.698 19759 9 1 1 . 1 1 5 5 THR N N 5 111.800 111.800 113.755 -1.955 19759 10 1 1 . 1 1 5 5 THR HA H 5 4.790 4.790 4.613 0.177 19759 11 1 1 . 1 1 5 5 THR CA C 5 59.280 59.280 61.309 -2.030 19759 12 1 1 . 1 1 5 5 THR CB C 5 80.090 80.090 70.744 9.346 19759 13 1 1 . 1 1 5 5 THR H H 5 8.910 8.910 8.101 0.809 19759 14 1 1 . 1 1 6 6 THR N N 6 110.600 110.600 115.375 -4.775 19759 15 1 1 . 1 1 6 6 THR HA H 6 4.750 4.750 4.572 0.178 19759 16 1 1 . 1 1 6 6 THR CA C 6 59.270 59.270 61.168 -1.898 19759 17 1 1 . 1 1 6 6 THR CB C 6 80.720 80.720 70.349 10.371 19759 18 1 1 . 1 1 6 6 THR H H 6 8.940 8.940 8.313 0.627 19759 19 1 1 . 1 1 7 7 THR N N 7 109.800 109.800 112.866 -3.066 19759 20 1 1 . 1 1 7 7 THR HA H 7 4.530 4.530 4.443 0.087 19759 21 1 1 . 1 1 7 7 THR CA C 7 59.220 59.220 61.536 -2.316 19759 22 1 1 . 1 1 7 7 THR CB C 7 79.400 79.400 70.040 9.360 19759 23 1 1 . 1 1 7 7 THR H H 7 8.880 8.880 8.228 0.652 19759 24 1 1 . 1 1 8 8 LYS N N 8 119.600 119.600 123.622 -4.022 19759 25 1 1 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.273 -0.033 19759 26 1 1 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.124 -0.784 19759 27 1 1 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.167 0.773 19759 28 1 1 . 1 1 8 8 LYS H H 8 8.460 8.460 8.457 0.003 19759 29 1 1 . 1 1 9 9 LYS N N 9 124.600 124.600 126.896 -2.296 19759 30 1 1 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.411 -0.011 19759 31 1 1 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.169 -0.599 19759 32 1 1 . 1 1 9 9 LYS CB C 9 32.580 32.580 32.186 0.394 19759 33 1 1 . 1 1 9 9 LYS H H 9 8.500 8.500 8.430 0.070 19759 34 1 2 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.688 -0.038 19759 35 1 2 . 1 1 3 3 PRO CA C 3 62.770 62.770 64.127 -1.357 19759 36 1 2 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.012 0.108 19759 37 1 2 . 1 1 4 4 THR N N 4 113.200 113.200 112.416 0.784 19759 38 1 2 . 1 1 4 4 THR HA H 4 4.710 4.710 4.508 0.202 19759 39 1 2 . 1 1 4 4 THR CA C 4 59.900 59.900 61.016 -1.116 19759 40 1 2 . 1 1 4 4 THR CB C 4 79.320 79.320 70.945 8.375 19759 41 1 2 . 1 1 4 4 THR H H 4 8.710 8.710 8.089 0.621 19759 42 1 2 . 1 1 5 5 THR N N 5 111.800 111.800 113.157 -1.357 19759 43 1 2 . 1 1 5 5 THR HA H 5 4.790 4.790 4.721 0.069 19759 44 1 2 . 1 1 5 5 THR CA C 5 59.280 59.280 61.571 -2.291 19759 45 1 2 . 1 1 5 5 THR CB C 5 80.090 80.090 70.638 9.451 19759 46 1 2 . 1 1 5 5 THR H H 5 8.910 8.910 8.094 0.816 19759 47 1 2 . 1 1 6 6 THR N N 6 110.600 110.600 114.456 -3.856 19759 48 1 2 . 1 1 6 6 THR HA H 6 4.750 4.750 4.586 0.164 19759 49 1 2 . 1 1 6 6 THR CA C 6 59.270 59.270 61.053 -1.783 19759 50 1 2 . 1 1 6 6 THR CB C 6 80.720 80.720 70.469 10.251 19759 51 1 2 . 1 1 6 6 THR H H 6 8.940 8.940 8.195 0.745 19759 52 1 2 . 1 1 7 7 THR N N 7 109.800 109.800 112.763 -2.963 19759 53 1 2 . 1 1 7 7 THR HA H 7 4.530 4.530 4.445 0.085 19759 54 1 2 . 1 1 7 7 THR CA C 7 59.220 59.220 61.500 -2.280 19759 55 1 2 . 1 1 7 7 THR CB C 7 79.400 79.400 70.053 9.347 19759 56 1 2 . 1 1 7 7 THR H H 7 8.880 8.880 8.205 0.675 19759 57 1 2 . 1 1 8 8 LYS N N 8 119.600 119.600 124.420 -4.820 19759 58 1 2 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.334 -0.094 19759 59 1 2 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.101 -0.761 19759 60 1 2 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.128 0.812 19759 61 1 2 . 1 1 8 8 LYS H H 8 8.460 8.460 8.429 0.031 19759 62 1 2 . 1 1 9 9 LYS N N 9 124.600 124.600 124.292 0.308 19759 63 1 2 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.431 -0.031 19759 64 1 2 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.355 -0.785 19759 65 1 2 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.461 1.119 19759 66 1 2 . 1 1 9 9 LYS H H 9 8.500 8.500 8.419 0.081 19759 67 1 3 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.327 0.323 19759 68 1 3 . 1 1 3 3 PRO CA C 3 62.770 62.770 64.085 -1.315 19759 69 1 3 . 1 1 3 3 PRO CB C 3 32.120 32.120 30.539 1.581 19759 70 1 3 . 1 1 4 4 THR N N 4 113.200 113.200 116.900 -3.700 19759 71 1 3 . 1 1 4 4 THR HA H 4 4.710 4.710 4.573 0.137 19759 72 1 3 . 1 1 4 4 THR CA C 4 59.900 59.900 60.232 -0.332 19759 73 1 3 . 1 1 4 4 THR CB C 4 79.320 79.320 70.930 8.389 19759 74 1 3 . 1 1 4 4 THR H H 4 8.710 8.710 7.895 0.815 19759 75 1 3 . 1 1 5 5 THR N N 5 111.800 111.800 115.151 -3.351 19759 76 1 3 . 1 1 5 5 THR HA H 5 4.790 4.790 4.675 0.115 19759 77 1 3 . 1 1 5 5 THR CA C 5 59.280 59.280 61.305 -2.025 19759 78 1 3 . 1 1 5 5 THR CB C 5 80.090 80.090 69.904 10.186 19759 79 1 3 . 1 1 5 5 THR H H 5 8.910 8.910 8.135 0.775 19759 80 1 3 . 1 1 6 6 THR N N 6 110.600 110.600 115.205 -4.605 19759 81 1 3 . 1 1 6 6 THR HA H 6 4.750 4.750 4.588 0.162 19759 82 1 3 . 1 1 6 6 THR CA C 6 59.270 59.270 61.388 -2.118 19759 83 1 3 . 1 1 6 6 THR CB C 6 80.720 80.720 70.146 10.574 19759 84 1 3 . 1 1 6 6 THR H H 6 8.940 8.940 8.288 0.652 19759 85 1 3 . 1 1 7 7 THR N N 7 109.800 109.800 115.339 -5.539 19759 86 1 3 . 1 1 7 7 THR HA H 7 4.530 4.530 4.608 -0.078 19759 87 1 3 . 1 1 7 7 THR CA C 7 59.220 59.220 61.202 -1.982 19759 88 1 3 . 1 1 7 7 THR CB C 7 79.400 79.400 69.814 9.586 19759 89 1 3 . 1 1 7 7 THR H H 7 8.880 8.880 8.337 0.543 19759 90 1 3 . 1 1 8 8 LYS N N 8 119.600 119.600 121.810 -2.210 19759 91 1 3 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.399 -0.159 19759 92 1 3 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.822 -1.482 19759 93 1 3 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.914 0.026 19759 94 1 3 . 1 1 8 8 LYS H H 8 8.460 8.460 8.197 0.263 19759 95 1 3 . 1 1 9 9 LYS N N 9 124.600 124.600 125.291 -0.691 19759 96 1 3 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.147 0.253 19759 97 1 3 . 1 1 9 9 LYS CA C 9 54.570 54.570 56.440 -1.870 19759 98 1 3 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.653 0.927 19759 99 1 3 . 1 1 9 9 LYS H H 9 8.500 8.500 8.719 -0.219 19759 100 1 4 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.463 0.187 19759 101 1 4 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.188 -0.418 19759 102 1 4 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.239 -0.119 19759 103 1 4 . 1 1 4 4 THR N N 4 113.200 113.200 111.945 1.255 19759 104 1 4 . 1 1 4 4 THR HA H 4 4.710 4.710 4.535 0.175 19759 105 1 4 . 1 1 4 4 THR CA C 4 59.900 59.900 61.394 -1.494 19759 106 1 4 . 1 1 4 4 THR CB C 4 79.320 79.320 70.612 8.708 19759 107 1 4 . 1 1 4 4 THR H H 4 8.710 8.710 8.097 0.613 19759 108 1 4 . 1 1 5 5 THR N N 5 111.800 111.800 116.884 -5.084 19759 109 1 4 . 1 1 5 5 THR HA H 5 4.790 4.790 4.765 0.025 19759 110 1 4 . 1 1 5 5 THR CA C 5 59.280 59.280 61.272 -1.992 19759 111 1 4 . 1 1 5 5 THR CB C 5 80.090 80.090 69.734 10.356 19759 112 1 4 . 1 1 5 5 THR H H 5 8.910 8.910 8.376 0.534 19759 113 1 4 . 1 1 6 6 THR N N 6 110.600 110.600 113.210 -2.610 19759 114 1 4 . 1 1 6 6 THR HA H 6 4.750 4.750 4.938 -0.188 19759 115 1 4 . 1 1 6 6 THR CA C 6 59.270 59.270 61.407 -2.137 19759 116 1 4 . 1 1 6 6 THR CB C 6 80.720 80.720 71.725 8.995 19759 117 1 4 . 1 1 6 6 THR H H 6 8.940 8.940 8.805 0.135 19759 118 1 4 . 1 1 7 7 THR N N 7 109.800 109.800 113.210 -3.410 19759 119 1 4 . 1 1 7 7 THR HA H 7 4.530 4.530 4.850 -0.320 19759 120 1 4 . 1 1 7 7 THR CA C 7 59.220 59.220 61.006 -1.786 19759 121 1 4 . 1 1 7 7 THR CB C 7 79.400 79.400 71.318 8.082 19759 122 1 4 . 1 1 7 7 THR H H 7 8.880 8.880 8.604 0.276 19759 123 1 4 . 1 1 8 8 LYS N N 8 119.600 119.600 122.199 -2.599 19759 124 1 4 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.511 -0.271 19759 125 1 4 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.429 -1.089 19759 126 1 4 . 1 1 8 8 LYS CB C 8 33.940 33.940 34.133 -0.193 19759 127 1 4 . 1 1 8 8 LYS H H 8 8.460 8.460 8.382 0.078 19759 128 1 4 . 1 1 9 9 LYS N N 9 124.600 124.600 124.072 0.528 19759 129 1 4 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.555 -0.155 19759 130 1 4 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.356 -0.786 19759 131 1 4 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.452 1.128 19759 132 1 4 . 1 1 9 9 LYS H H 9 8.500 8.500 8.421 0.079 19759 133 1 5 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.505 0.145 19759 134 1 5 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.972 -1.202 19759 135 1 5 . 1 1 3 3 PRO CB C 3 32.120 32.120 31.283 0.837 19759 136 1 5 . 1 1 4 4 THR N N 4 113.200 113.200 116.618 -3.418 19759 137 1 5 . 1 1 4 4 THR HA H 4 4.710 4.710 4.490 0.220 19759 138 1 5 . 1 1 4 4 THR CA C 4 59.900 59.900 60.943 -1.043 19759 139 1 5 . 1 1 4 4 THR CB C 4 79.320 79.320 70.058 9.262 19759 140 1 5 . 1 1 4 4 THR H H 4 8.710 8.710 7.928 0.782 19759 141 1 5 . 1 1 5 5 THR N N 5 111.800 111.800 113.050 -1.250 19759 142 1 5 . 1 1 5 5 THR HA H 5 4.790 4.790 4.543 0.247 19759 143 1 5 . 1 1 5 5 THR CA C 5 59.280 59.280 61.292 -2.012 19759 144 1 5 . 1 1 5 5 THR CB C 5 80.090 80.090 70.909 9.181 19759 145 1 5 . 1 1 5 5 THR H H 5 8.910 8.910 8.166 0.744 19759 146 1 5 . 1 1 6 6 THR N N 6 110.600 110.600 116.778 -6.178 19759 147 1 5 . 1 1 6 6 THR HA H 6 4.750 4.750 4.568 0.182 19759 148 1 5 . 1 1 6 6 THR CA C 6 59.270 59.270 61.345 -2.075 19759 149 1 5 . 1 1 6 6 THR CB C 6 80.720 80.720 69.770 10.950 19759 150 1 5 . 1 1 6 6 THR H H 6 8.940 8.940 8.303 0.637 19759 151 1 5 . 1 1 7 7 THR N N 7 109.800 109.800 115.955 -6.155 19759 152 1 5 . 1 1 7 7 THR HA H 7 4.530 4.530 4.405 0.125 19759 153 1 5 . 1 1 7 7 THR CA C 7 59.220 59.220 61.822 -2.602 19759 154 1 5 . 1 1 7 7 THR CB C 7 79.400 79.400 69.343 10.057 19759 155 1 5 . 1 1 7 7 THR H H 7 8.880 8.880 8.389 0.491 19759 156 1 5 . 1 1 8 8 LYS N N 8 119.600 119.600 126.122 -6.522 19759 157 1 5 . 1 1 8 8 LYS HA H 8 4.240 4.240 3.923 0.317 19759 158 1 5 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.930 -1.590 19759 159 1 5 . 1 1 8 8 LYS CB C 8 33.940 33.940 31.294 2.646 19759 160 1 5 . 1 1 8 8 LYS H H 8 8.460 8.460 8.632 -0.172 19759 161 1 5 . 1 1 9 9 LYS N N 9 124.600 124.600 123.055 1.545 19759 162 1 5 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.400 0.000 19759 163 1 5 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.032 -0.462 19759 164 1 5 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.777 0.803 19759 165 1 5 . 1 1 9 9 LYS H H 9 8.500 8.500 8.073 0.427 19759 166 1 6 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.461 0.189 19759 167 1 6 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.368 -0.598 19759 168 1 6 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.190 -0.070 19759 169 1 6 . 1 1 4 4 THR N N 4 113.200 113.200 115.034 -1.834 19759 170 1 6 . 1 1 4 4 THR HA H 4 4.710 4.710 4.442 0.268 19759 171 1 6 . 1 1 4 4 THR CA C 4 59.900 59.900 61.123 -1.223 19759 172 1 6 . 1 1 4 4 THR CB C 4 79.320 79.320 70.193 9.127 19759 173 1 6 . 1 1 4 4 THR H H 4 8.710 8.710 8.155 0.555 19759 174 1 6 . 1 1 5 5 THR N N 5 111.800 111.800 112.308 -0.508 19759 175 1 6 . 1 1 5 5 THR HA H 5 4.790 4.790 4.661 0.129 19759 176 1 6 . 1 1 5 5 THR CA C 5 59.280 59.280 61.286 -2.006 19759 177 1 6 . 1 1 5 5 THR CB C 5 80.090 80.090 70.913 9.177 19759 178 1 6 . 1 1 5 5 THR H H 5 8.910 8.910 8.091 0.819 19759 179 1 6 . 1 1 6 6 THR N N 6 110.600 110.600 116.392 -5.792 19759 180 1 6 . 1 1 6 6 THR HA H 6 4.750 4.750 4.654 0.096 19759 181 1 6 . 1 1 6 6 THR CA C 6 59.270 59.270 61.447 -2.178 19759 182 1 6 . 1 1 6 6 THR CB C 6 80.720 80.720 70.199 10.521 19759 183 1 6 . 1 1 6 6 THR H H 6 8.940 8.940 8.198 0.742 19759 184 1 6 . 1 1 7 7 THR N N 7 109.800 109.800 116.621 -6.821 19759 185 1 6 . 1 1 7 7 THR HA H 7 4.530 4.530 4.431 0.099 19759 186 1 6 . 1 1 7 7 THR CA C 7 59.220 59.220 60.742 -1.522 19759 187 1 6 . 1 1 7 7 THR CB C 7 79.400 79.400 70.028 9.371 19759 188 1 6 . 1 1 7 7 THR H H 7 8.880 8.880 8.307 0.573 19759 189 1 6 . 1 1 8 8 LYS N N 8 119.600 119.600 122.696 -3.096 19759 190 1 6 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.266 -0.026 19759 191 1 6 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.248 -0.908 19759 192 1 6 . 1 1 8 8 LYS CB C 8 33.940 33.940 31.172 2.768 19759 193 1 6 . 1 1 8 8 LYS H H 8 8.460 8.460 8.525 -0.065 19759 194 1 6 . 1 1 9 9 LYS N N 9 124.600 124.600 124.275 0.325 19759 195 1 6 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.415 -0.015 19759 196 1 6 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.893 -0.323 19759 197 1 6 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.343 1.237 19759 198 1 6 . 1 1 9 9 LYS H H 9 8.500 8.500 7.883 0.617 19759 199 1 7 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.417 0.233 19759 200 1 7 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.065 -0.295 19759 201 1 7 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.248 -0.128 19759 202 1 7 . 1 1 4 4 THR N N 4 113.200 113.200 114.724 -1.524 19759 203 1 7 . 1 1 4 4 THR HA H 4 4.710 4.710 4.456 0.254 19759 204 1 7 . 1 1 4 4 THR CA C 4 59.900 59.900 61.684 -1.784 19759 205 1 7 . 1 1 4 4 THR CB C 4 79.320 79.320 69.834 9.486 19759 206 1 7 . 1 1 4 4 THR H H 4 8.710 8.710 8.128 0.582 19759 207 1 7 . 1 1 5 5 THR N N 5 111.800 111.800 117.352 -5.552 19759 208 1 7 . 1 1 5 5 THR HA H 5 4.790 4.790 4.601 0.189 19759 209 1 7 . 1 1 5 5 THR CA C 5 59.280 59.280 61.144 -1.864 19759 210 1 7 . 1 1 5 5 THR CB C 5 80.090 80.090 70.350 9.740 19759 211 1 7 . 1 1 5 5 THR H H 5 8.910 8.910 8.355 0.555 19759 212 1 7 . 1 1 6 6 THR N N 6 110.600 110.600 115.095 -4.495 19759 213 1 7 . 1 1 6 6 THR HA H 6 4.750 4.750 4.590 0.160 19759 214 1 7 . 1 1 6 6 THR CA C 6 59.270 59.270 61.129 -1.859 19759 215 1 7 . 1 1 6 6 THR CB C 6 80.720 80.720 70.124 10.596 19759 216 1 7 . 1 1 6 6 THR H H 6 8.940 8.940 8.194 0.746 19759 217 1 7 . 1 1 7 7 THR N N 7 109.800 109.800 114.194 -4.394 19759 218 1 7 . 1 1 7 7 THR HA H 7 4.530 4.530 4.455 0.075 19759 219 1 7 . 1 1 7 7 THR CA C 7 59.220 59.220 61.451 -2.231 19759 220 1 7 . 1 1 7 7 THR CB C 7 79.400 79.400 69.898 9.502 19759 221 1 7 . 1 1 7 7 THR H H 7 8.880 8.880 8.343 0.537 19759 222 1 7 . 1 1 8 8 LYS N N 8 119.600 119.600 125.624 -6.024 19759 223 1 7 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.338 -0.098 19759 224 1 7 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.677 -1.337 19759 225 1 7 . 1 1 8 8 LYS CB C 8 33.940 33.940 32.835 1.105 19759 226 1 7 . 1 1 8 8 LYS H H 8 8.460 8.460 8.675 -0.215 19759 227 1 7 . 1 1 9 9 LYS N N 9 124.600 124.600 124.910 -0.310 19759 228 1 7 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.522 -0.122 19759 229 1 7 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.880 -1.310 19759 230 1 7 . 1 1 9 9 LYS CB C 9 32.580 32.580 32.787 -0.207 19759 231 1 7 . 1 1 9 9 LYS H H 9 8.500 8.500 8.690 -0.190 19759 232 1 8 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.653 -0.003 19759 233 1 8 . 1 1 3 3 PRO CA C 3 62.770 62.770 64.331 -1.561 19759 234 1 8 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.049 0.071 19759 235 1 8 . 1 1 4 4 THR N N 4 113.200 113.200 113.066 0.134 19759 236 1 8 . 1 1 4 4 THR HA H 4 4.710 4.710 4.524 0.186 19759 237 1 8 . 1 1 4 4 THR CA C 4 59.900 59.900 61.059 -1.159 19759 238 1 8 . 1 1 4 4 THR CB C 4 79.320 79.320 71.153 8.167 19759 239 1 8 . 1 1 4 4 THR H H 4 8.710 8.710 8.082 0.628 19759 240 1 8 . 1 1 5 5 THR N N 5 111.800 111.800 113.073 -1.273 19759 241 1 8 . 1 1 5 5 THR HA H 5 4.790 4.790 4.693 0.097 19759 242 1 8 . 1 1 5 5 THR CA C 5 59.280 59.280 61.637 -2.357 19759 243 1 8 . 1 1 5 5 THR CB C 5 80.090 80.090 70.451 9.639 19759 244 1 8 . 1 1 5 5 THR H H 5 8.910 8.910 8.105 0.805 19759 245 1 8 . 1 1 6 6 THR N N 6 110.600 110.600 116.851 -6.251 19759 246 1 8 . 1 1 6 6 THR HA H 6 4.750 4.750 4.573 0.177 19759 247 1 8 . 1 1 6 6 THR CA C 6 59.270 59.270 61.258 -1.988 19759 248 1 8 . 1 1 6 6 THR CB C 6 80.720 80.720 70.048 10.672 19759 249 1 8 . 1 1 6 6 THR H H 6 8.940 8.940 8.232 0.708 19759 250 1 8 . 1 1 7 7 THR N N 7 109.800 109.800 116.447 -6.647 19759 251 1 8 . 1 1 7 7 THR HA H 7 4.530 4.530 4.438 0.092 19759 252 1 8 . 1 1 7 7 THR CA C 7 59.220 59.220 61.631 -2.411 19759 253 1 8 . 1 1 7 7 THR CB C 7 79.400 79.400 69.915 9.485 19759 254 1 8 . 1 1 7 7 THR H H 7 8.880 8.880 8.339 0.541 19759 255 1 8 . 1 1 8 8 LYS N N 8 119.600 119.600 124.400 -4.800 19759 256 1 8 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.351 -0.111 19759 257 1 8 . 1 1 8 8 LYS CA C 8 55.340 55.340 55.882 -0.542 19759 258 1 8 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.383 0.557 19759 259 1 8 . 1 1 8 8 LYS H H 8 8.460 8.460 8.472 -0.012 19759 260 1 8 . 1 1 9 9 LYS N N 9 124.600 124.600 121.495 3.105 19759 261 1 8 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.348 0.052 19759 262 1 8 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.392 -0.822 19759 263 1 8 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.357 1.223 19759 264 1 8 . 1 1 9 9 LYS H H 9 8.500 8.500 8.380 0.120 19759 265 1 9 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.403 0.247 19759 266 1 9 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.549 -0.779 19759 267 1 9 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.111 0.009 19759 268 1 9 . 1 1 4 4 THR N N 4 113.200 113.200 112.951 0.249 19759 269 1 9 . 1 1 4 4 THR HA H 4 4.710 4.710 4.522 0.188 19759 270 1 9 . 1 1 4 4 THR CA C 4 59.900 59.900 61.333 -1.433 19759 271 1 9 . 1 1 4 4 THR CB C 4 79.320 79.320 71.043 8.277 19759 272 1 9 . 1 1 4 4 THR H H 4 8.710 8.710 8.057 0.653 19759 273 1 9 . 1 1 5 5 THR N N 5 111.800 111.800 116.687 -4.887 19759 274 1 9 . 1 1 5 5 THR HA H 5 4.790 4.790 4.636 0.154 19759 275 1 9 . 1 1 5 5 THR CA C 5 59.280 59.280 61.354 -2.074 19759 276 1 9 . 1 1 5 5 THR CB C 5 80.090 80.090 70.168 9.922 19759 277 1 9 . 1 1 5 5 THR H H 5 8.910 8.910 8.280 0.630 19759 278 1 9 . 1 1 6 6 THR N N 6 110.600 110.600 115.022 -4.422 19759 279 1 9 . 1 1 6 6 THR HA H 6 4.750 4.750 4.584 0.166 19759 280 1 9 . 1 1 6 6 THR CA C 6 59.270 59.270 61.115 -1.845 19759 281 1 9 . 1 1 6 6 THR CB C 6 80.720 80.720 70.238 10.482 19759 282 1 9 . 1 1 6 6 THR H H 6 8.940 8.940 8.195 0.745 19759 283 1 9 . 1 1 7 7 THR N N 7 109.800 109.800 113.700 -3.900 19759 284 1 9 . 1 1 7 7 THR HA H 7 4.530 4.530 4.441 0.089 19759 285 1 9 . 1 1 7 7 THR CA C 7 59.220 59.220 61.560 -2.340 19759 286 1 9 . 1 1 7 7 THR CB C 7 79.400 79.400 69.883 9.517 19759 287 1 9 . 1 1 7 7 THR H H 7 8.880 8.880 8.266 0.614 19759 288 1 9 . 1 1 8 8 LYS N N 8 119.600 119.600 125.123 -5.523 19759 289 1 9 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.318 -0.078 19759 290 1 9 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.125 -0.785 19759 291 1 9 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.327 0.613 19759 292 1 9 . 1 1 8 8 LYS H H 8 8.460 8.460 8.456 0.004 19759 293 1 9 . 1 1 9 9 LYS N N 9 124.600 124.600 124.870 -0.270 19759 294 1 9 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.403 -0.003 19759 295 1 9 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.333 -0.763 19759 296 1 9 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.842 0.738 19759 297 1 9 . 1 1 9 9 LYS H H 9 8.500 8.500 8.401 0.099 19759 298 1 10 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.671 -0.021 19759 299 1 10 . 1 1 3 3 PRO CA C 3 62.770 62.770 64.270 -1.500 19759 300 1 10 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.056 0.064 19759 301 1 10 . 1 1 4 4 THR N N 4 113.200 113.200 113.102 0.098 19759 302 1 10 . 1 1 4 4 THR HA H 4 4.710 4.710 4.486 0.224 19759 303 1 10 . 1 1 4 4 THR CA C 4 59.900 59.900 61.127 -1.227 19759 304 1 10 . 1 1 4 4 THR CB C 4 79.320 79.320 71.019 8.301 19759 305 1 10 . 1 1 4 4 THR H H 4 8.710 8.710 8.060 0.650 19759 306 1 10 . 1 1 5 5 THR N N 5 111.800 111.800 113.857 -2.057 19759 307 1 10 . 1 1 5 5 THR HA H 5 4.790 4.790 4.679 0.111 19759 308 1 10 . 1 1 5 5 THR CA C 5 59.280 59.280 62.000 -2.720 19759 309 1 10 . 1 1 5 5 THR CB C 5 80.090 80.090 70.664 9.426 19759 310 1 10 . 1 1 5 5 THR H H 5 8.910 8.910 8.228 0.682 19759 311 1 10 . 1 1 6 6 THR N N 6 110.600 110.600 116.269 -5.669 19759 312 1 10 . 1 1 6 6 THR HA H 6 4.750 4.750 4.718 0.032 19759 313 1 10 . 1 1 6 6 THR CA C 6 59.270 59.270 61.285 -2.015 19759 314 1 10 . 1 1 6 6 THR CB C 6 80.720 80.720 69.793 10.927 19759 315 1 10 . 1 1 6 6 THR H H 6 8.940 8.940 8.283 0.657 19759 316 1 10 . 1 1 7 7 THR N N 7 109.800 109.800 112.635 -2.835 19759 317 1 10 . 1 1 7 7 THR HA H 7 4.530 4.530 4.534 -0.004 19759 318 1 10 . 1 1 7 7 THR CA C 7 59.220 59.220 60.891 -1.671 19759 319 1 10 . 1 1 7 7 THR CB C 7 79.400 79.400 71.263 8.137 19759 320 1 10 . 1 1 7 7 THR H H 7 8.880 8.880 7.944 0.936 19759 321 1 10 . 1 1 8 8 LYS N N 8 119.600 119.600 122.806 -3.206 19759 322 1 10 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.329 -0.089 19759 323 1 10 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.741 -1.401 19759 324 1 10 . 1 1 8 8 LYS CB C 8 33.940 33.940 32.593 1.347 19759 325 1 10 . 1 1 8 8 LYS H H 8 8.460 8.460 8.599 -0.139 19759 326 1 10 . 1 1 9 9 LYS N N 9 124.600 124.600 123.341 1.259 19759 327 1 10 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.456 -0.056 19759 328 1 10 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.964 -1.393 19759 329 1 10 . 1 1 9 9 LYS CB C 9 32.580 32.580 33.146 -0.566 19759 330 1 10 . 1 1 9 9 LYS H H 9 8.500 8.500 8.507 -0.007 19759 331 1 11 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.356 0.294 19759 332 1 11 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.632 -0.862 19759 333 1 11 . 1 1 3 3 PRO CB C 3 32.120 32.120 31.071 1.049 19759 334 1 11 . 1 1 4 4 THR N N 4 113.200 113.200 117.437 -4.237 19759 335 1 11 . 1 1 4 4 THR HA H 4 4.710 4.710 4.579 0.131 19759 336 1 11 . 1 1 4 4 THR CA C 4 59.900 59.900 60.437 -0.537 19759 337 1 11 . 1 1 4 4 THR CB C 4 79.320 79.320 70.811 8.509 19759 338 1 11 . 1 1 4 4 THR H H 4 8.710 8.710 7.936 0.774 19759 339 1 11 . 1 1 5 5 THR N N 5 111.800 111.800 114.339 -2.539 19759 340 1 11 . 1 1 5 5 THR HA H 5 4.790 4.790 4.646 0.144 19759 341 1 11 . 1 1 5 5 THR CA C 5 59.280 59.280 61.589 -2.309 19759 342 1 11 . 1 1 5 5 THR CB C 5 80.090 80.090 70.665 9.425 19759 343 1 11 . 1 1 5 5 THR H H 5 8.910 8.910 8.160 0.750 19759 344 1 11 . 1 1 6 6 THR N N 6 110.600 110.600 116.716 -6.116 19759 345 1 11 . 1 1 6 6 THR HA H 6 4.750 4.750 4.570 0.180 19759 346 1 11 . 1 1 6 6 THR CA C 6 59.270 59.270 61.359 -2.089 19759 347 1 11 . 1 1 6 6 THR CB C 6 80.720 80.720 70.258 10.462 19759 348 1 11 . 1 1 6 6 THR H H 6 8.940 8.940 8.302 0.638 19759 349 1 11 . 1 1 7 7 THR N N 7 109.800 109.800 112.360 -2.560 19759 350 1 11 . 1 1 7 7 THR HA H 7 4.530 4.530 4.444 0.086 19759 351 1 11 . 1 1 7 7 THR CA C 7 59.220 59.220 61.789 -2.569 19759 352 1 11 . 1 1 7 7 THR CB C 7 79.400 79.400 70.903 8.497 19759 353 1 11 . 1 1 7 7 THR H H 7 8.880 8.880 8.064 0.816 19759 354 1 11 . 1 1 8 8 LYS N N 8 119.600 119.600 122.309 -2.709 19759 355 1 11 . 1 1 8 8 LYS HA H 8 4.240 4.240 3.857 0.383 19759 356 1 11 . 1 1 8 8 LYS CA C 8 55.340 55.340 57.357 -2.017 19759 357 1 11 . 1 1 8 8 LYS CB C 8 33.940 33.940 32.494 1.446 19759 358 1 11 . 1 1 8 8 LYS H H 8 8.460 8.460 8.396 0.064 19759 359 1 11 . 1 1 9 9 LYS N N 9 124.600 124.600 120.832 3.768 19759 360 1 11 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.113 0.287 19759 361 1 11 . 1 1 9 9 LYS CA C 9 54.570 54.570 56.366 -1.796 19759 362 1 11 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.481 1.099 19759 363 1 11 . 1 1 9 9 LYS H H 9 8.500 8.500 8.200 0.300 19759 364 1 12 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.328 0.322 19759 365 1 12 . 1 1 3 3 PRO CA C 3 62.770 62.770 64.088 -1.318 19759 366 1 12 . 1 1 3 3 PRO CB C 3 32.120 32.120 30.529 1.591 19759 367 1 12 . 1 1 4 4 THR N N 4 113.200 113.200 117.197 -3.997 19759 368 1 12 . 1 1 4 4 THR HA H 4 4.710 4.710 4.582 0.128 19759 369 1 12 . 1 1 4 4 THR CA C 4 59.900 59.900 60.465 -0.565 19759 370 1 12 . 1 1 4 4 THR CB C 4 79.320 79.320 71.032 8.288 19759 371 1 12 . 1 1 4 4 THR H H 4 8.710 8.710 7.925 0.785 19759 372 1 12 . 1 1 5 5 THR N N 5 111.800 111.800 115.368 -3.568 19759 373 1 12 . 1 1 5 5 THR HA H 5 4.790 4.790 4.615 0.175 19759 374 1 12 . 1 1 5 5 THR CA C 5 59.280 59.280 61.391 -2.111 19759 375 1 12 . 1 1 5 5 THR CB C 5 80.090 80.090 69.851 10.239 19759 376 1 12 . 1 1 5 5 THR H H 5 8.910 8.910 8.171 0.739 19759 377 1 12 . 1 1 6 6 THR N N 6 110.600 110.600 116.915 -6.315 19759 378 1 12 . 1 1 6 6 THR HA H 6 4.750 4.750 4.566 0.184 19759 379 1 12 . 1 1 6 6 THR CA C 6 59.270 59.270 61.202 -1.932 19759 380 1 12 . 1 1 6 6 THR CB C 6 80.720 80.720 69.915 10.805 19759 381 1 12 . 1 1 6 6 THR H H 6 8.940 8.940 8.344 0.596 19759 382 1 12 . 1 1 7 7 THR N N 7 109.800 109.800 115.762 -5.962 19759 383 1 12 . 1 1 7 7 THR HA H 7 4.530 4.530 4.451 0.079 19759 384 1 12 . 1 1 7 7 THR CA C 7 59.220 59.220 61.738 -2.518 19759 385 1 12 . 1 1 7 7 THR CB C 7 79.400 79.400 69.755 9.645 19759 386 1 12 . 1 1 7 7 THR H H 7 8.880 8.880 8.382 0.498 19759 387 1 12 . 1 1 8 8 LYS N N 8 119.600 119.600 122.248 -2.648 19759 388 1 12 . 1 1 8 8 LYS HA H 8 4.240 4.240 3.995 0.245 19759 389 1 12 . 1 1 8 8 LYS CA C 8 55.340 55.340 57.351 -2.011 19759 390 1 12 . 1 1 8 8 LYS CB C 8 33.940 33.940 32.953 0.987 19759 391 1 12 . 1 1 8 8 LYS H H 8 8.460 8.460 8.506 -0.046 19759 392 1 12 . 1 1 9 9 LYS N N 9 124.600 124.600 119.779 4.821 19759 393 1 12 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.533 -0.133 19759 394 1 12 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.829 -1.259 19759 395 1 12 . 1 1 9 9 LYS CB C 9 32.580 32.580 32.247 0.333 19759 396 1 12 . 1 1 9 9 LYS H H 9 8.500 8.500 8.398 0.102 19759 397 1 13 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.390 0.260 19759 398 1 13 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.713 -0.943 19759 399 1 13 . 1 1 3 3 PRO CB C 3 32.120 32.120 31.258 0.862 19759 400 1 13 . 1 1 4 4 THR N N 4 113.200 113.200 117.925 -4.725 19759 401 1 13 . 1 1 4 4 THR HA H 4 4.710 4.710 4.529 0.181 19759 402 1 13 . 1 1 4 4 THR CA C 4 59.900 59.900 60.593 -0.693 19759 403 1 13 . 1 1 4 4 THR CB C 4 79.320 79.320 71.174 8.146 19759 404 1 13 . 1 1 4 4 THR H H 4 8.710 8.710 7.935 0.775 19759 405 1 13 . 1 1 5 5 THR N N 5 111.800 111.800 115.129 -3.329 19759 406 1 13 . 1 1 5 5 THR HA H 5 4.790 4.790 4.606 0.184 19759 407 1 13 . 1 1 5 5 THR CA C 5 59.280 59.280 61.354 -2.074 19759 408 1 13 . 1 1 5 5 THR CB C 5 80.090 80.090 69.837 10.253 19759 409 1 13 . 1 1 5 5 THR H H 5 8.910 8.910 8.231 0.679 19759 410 1 13 . 1 1 6 6 THR N N 6 110.600 110.600 116.626 -6.026 19759 411 1 13 . 1 1 6 6 THR HA H 6 4.750 4.750 4.591 0.159 19759 412 1 13 . 1 1 6 6 THR CA C 6 59.270 59.270 61.475 -2.205 19759 413 1 13 . 1 1 6 6 THR CB C 6 80.720 80.720 69.916 10.804 19759 414 1 13 . 1 1 6 6 THR H H 6 8.940 8.940 8.264 0.676 19759 415 1 13 . 1 1 7 7 THR N N 7 109.800 109.800 115.929 -6.129 19759 416 1 13 . 1 1 7 7 THR HA H 7 4.530 4.530 4.428 0.102 19759 417 1 13 . 1 1 7 7 THR CA C 7 59.220 59.220 61.443 -2.223 19759 418 1 13 . 1 1 7 7 THR CB C 7 79.400 79.400 70.245 9.155 19759 419 1 13 . 1 1 7 7 THR H H 7 8.880 8.880 8.300 0.580 19759 420 1 13 . 1 1 8 8 LYS N N 8 119.600 119.600 122.339 -2.739 19759 421 1 13 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.339 -0.099 19759 422 1 13 . 1 1 8 8 LYS CA C 8 55.340 55.340 55.831 -0.491 19759 423 1 13 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.237 0.703 19759 424 1 13 . 1 1 8 8 LYS H H 8 8.460 8.460 8.479 -0.019 19759 425 1 13 . 1 1 9 9 LYS N N 9 124.600 124.600 126.167 -1.567 19759 426 1 13 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.433 -0.033 19759 427 1 13 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.317 -0.747 19759 428 1 13 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.811 0.769 19759 429 1 13 . 1 1 9 9 LYS H H 9 8.500 8.500 8.333 0.167 19759 430 1 14 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.446 0.204 19759 431 1 14 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.132 -0.362 19759 432 1 14 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.122 -0.002 19759 433 1 14 . 1 1 4 4 THR N N 4 113.200 113.200 113.252 -0.052 19759 434 1 14 . 1 1 4 4 THR HA H 4 4.710 4.710 4.496 0.214 19759 435 1 14 . 1 1 4 4 THR CA C 4 59.900 59.900 61.407 -1.507 19759 436 1 14 . 1 1 4 4 THR CB C 4 79.320 79.320 71.107 8.213 19759 437 1 14 . 1 1 4 4 THR H H 4 8.710 8.710 8.093 0.617 19759 438 1 14 . 1 1 5 5 THR N N 5 111.800 111.800 115.551 -3.751 19759 439 1 14 . 1 1 5 5 THR HA H 5 4.790 4.790 4.636 0.154 19759 440 1 14 . 1 1 5 5 THR CA C 5 59.280 59.280 61.508 -2.228 19759 441 1 14 . 1 1 5 5 THR CB C 5 80.090 80.090 69.906 10.184 19759 442 1 14 . 1 1 5 5 THR H H 5 8.910 8.910 8.232 0.678 19759 443 1 14 . 1 1 6 6 THR N N 6 110.600 110.600 115.232 -4.632 19759 444 1 14 . 1 1 6 6 THR HA H 6 4.750 4.750 4.614 0.136 19759 445 1 14 . 1 1 6 6 THR CA C 6 59.270 59.270 61.460 -2.190 19759 446 1 14 . 1 1 6 6 THR CB C 6 80.720 80.720 70.100 10.620 19759 447 1 14 . 1 1 6 6 THR H H 6 8.940 8.940 8.254 0.686 19759 448 1 14 . 1 1 7 7 THR N N 7 109.800 109.800 112.901 -3.101 19759 449 1 14 . 1 1 7 7 THR HA H 7 4.530 4.530 4.431 0.099 19759 450 1 14 . 1 1 7 7 THR CA C 7 59.220 59.220 61.805 -2.585 19759 451 1 14 . 1 1 7 7 THR CB C 7 79.400 79.400 70.287 9.113 19759 452 1 14 . 1 1 7 7 THR H H 7 8.880 8.880 8.192 0.688 19759 453 1 14 . 1 1 8 8 LYS N N 8 119.600 119.600 122.302 -2.702 19759 454 1 14 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.000 0.240 19759 455 1 14 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.608 -1.268 19759 456 1 14 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.074 0.866 19759 457 1 14 . 1 1 8 8 LYS H H 8 8.460 8.460 8.458 0.002 19759 458 1 14 . 1 1 9 9 LYS N N 9 124.600 124.600 121.779 2.821 19759 459 1 14 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.408 -0.008 19759 460 1 14 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.702 -1.132 19759 461 1 14 . 1 1 9 9 LYS CB C 9 32.580 32.580 32.279 0.301 19759 462 1 14 . 1 1 9 9 LYS H H 9 8.500 8.500 8.173 0.327 19759 463 1 15 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.621 0.029 19759 464 1 15 . 1 1 3 3 PRO CA C 3 62.770 62.770 62.795 -0.025 19759 465 1 15 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.122 -0.002 19759 466 1 15 . 1 1 4 4 THR N N 4 113.200 113.200 114.935 -1.735 19759 467 1 15 . 1 1 4 4 THR HA H 4 4.710 4.710 4.496 0.214 19759 468 1 15 . 1 1 4 4 THR CA C 4 59.900 59.900 61.582 -1.682 19759 469 1 15 . 1 1 4 4 THR CB C 4 79.320 79.320 69.928 9.392 19759 470 1 15 . 1 1 4 4 THR H H 4 8.710 8.710 8.265 0.445 19759 471 1 15 . 1 1 5 5 THR N N 5 111.800 111.800 116.418 -4.618 19759 472 1 15 . 1 1 5 5 THR HA H 5 4.790 4.790 4.587 0.203 19759 473 1 15 . 1 1 5 5 THR CA C 5 59.280 59.280 61.466 -2.186 19759 474 1 15 . 1 1 5 5 THR CB C 5 80.090 80.090 70.212 9.878 19759 475 1 15 . 1 1 5 5 THR H H 5 8.910 8.910 8.265 0.645 19759 476 1 15 . 1 1 6 6 THR N N 6 110.600 110.600 116.976 -6.376 19759 477 1 15 . 1 1 6 6 THR HA H 6 4.750 4.750 4.708 0.042 19759 478 1 15 . 1 1 6 6 THR CA C 6 59.270 59.270 61.159 -1.889 19759 479 1 15 . 1 1 6 6 THR CB C 6 80.720 80.720 69.814 10.906 19759 480 1 15 . 1 1 6 6 THR H H 6 8.940 8.940 8.568 0.372 19759 481 1 15 . 1 1 7 7 THR N N 7 109.800 109.800 112.974 -3.174 19759 482 1 15 . 1 1 7 7 THR HA H 7 4.530 4.530 4.912 -0.382 19759 483 1 15 . 1 1 7 7 THR CA C 7 59.220 59.220 61.319 -2.099 19759 484 1 15 . 1 1 7 7 THR CB C 7 79.400 79.400 72.039 7.361 19759 485 1 15 . 1 1 7 7 THR H H 7 8.880 8.880 8.692 0.188 19759 486 1 15 . 1 1 8 8 LYS N N 8 119.600 119.600 120.792 -1.192 19759 487 1 15 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.423 -0.183 19759 488 1 15 . 1 1 8 8 LYS CA C 8 55.340 55.340 55.886 -0.546 19759 489 1 15 . 1 1 8 8 LYS CB C 8 33.940 33.940 34.159 -0.219 19759 490 1 15 . 1 1 8 8 LYS H H 8 8.460 8.460 8.200 0.260 19759 491 1 15 . 1 1 9 9 LYS N N 9 124.600 124.600 122.915 1.685 19759 492 1 15 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.129 0.271 19759 493 1 15 . 1 1 9 9 LYS CA C 9 54.570 54.570 56.074 -1.504 19759 494 1 15 . 1 1 9 9 LYS CB C 9 32.580 32.580 32.113 0.467 19759 495 1 15 . 1 1 9 9 LYS H H 9 8.500 8.500 8.739 -0.239 19759 496 1 16 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.416 0.234 19759 497 1 16 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.092 -0.322 19759 498 1 16 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.250 -0.130 19759 499 1 16 . 1 1 4 4 THR N N 4 113.200 113.200 114.429 -1.229 19759 500 1 16 . 1 1 4 4 THR HA H 4 4.710 4.710 4.490 0.220 19759 501 1 16 . 1 1 4 4 THR CA C 4 59.900 59.900 61.712 -1.812 19759 502 1 16 . 1 1 4 4 THR CB C 4 79.320 79.320 69.861 9.459 19759 503 1 16 . 1 1 4 4 THR H H 4 8.710 8.710 8.099 0.611 19759 504 1 16 . 1 1 5 5 THR N N 5 111.800 111.800 116.641 -4.841 19759 505 1 16 . 1 1 5 5 THR HA H 5 4.790 4.790 4.640 0.150 19759 506 1 16 . 1 1 5 5 THR CA C 5 59.280 59.280 61.157 -1.877 19759 507 1 16 . 1 1 5 5 THR CB C 5 80.090 80.090 70.398 9.692 19759 508 1 16 . 1 1 5 5 THR H H 5 8.910 8.910 8.228 0.682 19759 509 1 16 . 1 1 6 6 THR N N 6 110.600 110.600 115.338 -4.738 19759 510 1 16 . 1 1 6 6 THR HA H 6 4.750 4.750 4.609 0.141 19759 511 1 16 . 1 1 6 6 THR CA C 6 59.270 59.270 61.124 -1.854 19759 512 1 16 . 1 1 6 6 THR CB C 6 80.720 80.720 70.405 10.315 19759 513 1 16 . 1 1 6 6 THR H H 6 8.940 8.940 8.225 0.715 19759 514 1 16 . 1 1 7 7 THR N N 7 109.800 109.800 114.610 -4.810 19759 515 1 16 . 1 1 7 7 THR HA H 7 4.530 4.530 4.437 0.093 19759 516 1 16 . 1 1 7 7 THR CA C 7 59.220 59.220 61.420 -2.200 19759 517 1 16 . 1 1 7 7 THR CB C 7 79.400 79.400 70.007 9.393 19759 518 1 16 . 1 1 7 7 THR H H 7 8.880 8.880 8.359 0.521 19759 519 1 16 . 1 1 8 8 LYS N N 8 119.600 119.600 126.993 -7.393 19759 520 1 16 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.243 -0.003 19759 521 1 16 . 1 1 8 8 LYS CA C 8 55.340 55.340 54.679 0.661 19759 522 1 16 . 1 1 8 8 LYS CB C 8 33.940 33.940 31.571 2.369 19759 523 1 16 . 1 1 8 8 LYS H H 8 8.460 8.460 8.870 -0.410 19759 524 1 16 . 1 1 9 9 LYS N N 9 124.600 124.600 121.871 2.729 19759 525 1 16 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.028 0.372 19759 526 1 16 . 1 1 9 9 LYS CA C 9 54.570 54.570 56.218 -1.648 19759 527 1 16 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.118 1.462 19759 528 1 16 . 1 1 9 9 LYS H H 9 8.500 8.500 7.912 0.588 19759 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 6 3.338 3.196 1.055 19759 2 1 1 "Average Difference" HA 7 0.154 -0.119 0.106 19759 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19759 4 1 1 "Average Difference" CA 7 1.528 1.391 0.683 19759 5 1 1 "Average Difference" CB 7 7.243 -5.687 4.845 19759 6 1 1 "Average Difference" HN 6 0.572 -0.476 0.347 19759 7 1 2 "Average Difference" N 6 2.870 1.984 2.272 19759 8 1 2 "Average Difference" HA 7 0.114 -0.051 0.110 19759 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19759 10 1 2 "Average Difference" CA 7 1.599 1.482 0.650 19759 11 1 2 "Average Difference" CB 7 7.110 -5.638 4.679 19759 12 1 2 "Average Difference" HN 6 0.587 -0.495 0.346 19759 13 1 3 "Average Difference" N 6 3.701 3.349 1.724 19759 14 1 3 "Average Difference" HA 7 0.192 -0.108 0.172 19759 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19759 16 1 3 "Average Difference" CA 7 1.692 1.589 0.629 19759 17 1 3 "Average Difference" CB 7 7.380 -5.896 4.794 19759 18 1 3 "Average Difference" HN 6 0.592 -0.471 0.392 19759 19 1 4 "Average Difference" N 6 2.969 1.987 2.417 19759 20 1 4 "Average Difference" HA 7 0.208 0.078 0.208 19759 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19759 22 1 4 "Average Difference" CA 7 1.509 1.386 0.644 19759 23 1 4 "Average Difference" CB 7 6.873 -5.280 4.752 19759 24 1 4 "Average Difference" HN 6 0.358 -0.286 0.235 19759 25 1 5 "Average Difference" N 6 4.730 3.663 3.278 19759 26 1 5 "Average Difference" HA 7 0.200 -0.177 0.101 19759 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19759 28 1 5 "Average Difference" CA 7 1.707 1.569 0.725 19759 29 1 5 "Average Difference" CB 7 7.554 -6.248 4.586 19759 30 1 5 "Average Difference" HN 6 0.581 -0.485 0.350 19759 31 1 6 "Average Difference" N 6 3.945 2.954 2.864 19759 32 1 6 "Average Difference" HA 7 0.143 -0.106 0.105 19759 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19759 34 1 6 "Average Difference" CA 7 1.407 1.251 0.696 19759 35 1 6 "Average Difference" CB 7 7.322 -6.019 4.503 19759 36 1 6 "Average Difference" HN 6 0.611 -0.540 0.314 19759 37 1 7 "Average Difference" N 6 4.263 3.717 2.288 19759 38 1 7 "Average Difference" HA 7 0.173 -0.099 0.154 19759 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19759 40 1 7 "Average Difference" CA 7 1.634 1.526 0.631 19759 41 1 7 "Average Difference" CB 7 7.452 -5.728 5.149 19759 42 1 7 "Average Difference" HN 6 0.512 -0.336 0.424 19759 43 1 8 "Average Difference" N 6 4.427 2.622 3.907 19759 44 1 8 "Average Difference" HA 7 0.119 -0.070 0.104 19759 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19759 46 1 8 "Average Difference" CA 7 1.693 1.549 0.740 19759 47 1 8 "Average Difference" CB 7 7.224 -5.688 4.810 19759 48 1 8 "Average Difference" HN 6 0.555 -0.465 0.333 19759 49 1 9 "Average Difference" N 6 3.858 3.125 2.477 19759 50 1 9 "Average Difference" HA 7 0.152 -0.109 0.114 19759 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19759 52 1 9 "Average Difference" CA 7 1.560 1.431 0.671 19759 53 1 9 "Average Difference" CB 7 7.254 -5.651 4.912 19759 54 1 9 "Average Difference" HN 6 0.542 -0.457 0.319 19759 55 1 10 "Average Difference" N 6 3.063 2.068 2.474 19759 56 1 10 "Average Difference" HA 7 0.104 -0.028 0.108 19759 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19759 58 1 10 "Average Difference" CA 7 1.769 1.704 0.514 19759 59 1 10 "Average Difference" CB 7 7.026 -5.377 4.885 19759 60 1 10 "Average Difference" HN 6 0.607 -0.463 0.431 19759 61 1 11 "Average Difference" N 6 3.871 2.399 3.328 19759 62 1 11 "Average Difference" HA 7 0.237 -0.215 0.108 19759 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19759 64 1 11 "Average Difference" CA 7 1.875 1.740 0.756 19759 65 1 11 "Average Difference" CB 7 7.044 -5.784 4.342 19759 66 1 11 "Average Difference" HN 6 0.623 -0.557 0.306 19759 67 1 12 "Average Difference" N 6 4.733 2.945 4.058 19759 68 1 12 "Average Difference" HA 7 0.196 -0.143 0.145 19759 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19759 70 1 12 "Average Difference" CA 7 1.782 1.673 0.660 19759 71 1 12 "Average Difference" CB 7 7.435 -5.984 4.765 19759 72 1 12 "Average Difference" HN 6 0.544 -0.446 0.342 19759 73 1 13 "Average Difference" N 6 4.420 4.086 1.848 19759 74 1 13 "Average Difference" HA 7 0.161 -0.108 0.129 19759 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19759 76 1 13 "Average Difference" CA 7 1.525 1.339 0.787 19759 77 1 13 "Average Difference" CB 7 7.308 -5.813 4.784 19759 78 1 13 "Average Difference" HN 6 0.560 -0.476 0.323 19759 79 1 14 "Average Difference" N 6 3.173 1.903 2.781 19759 80 1 14 "Average Difference" HA 7 0.168 -0.149 0.084 19759 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19759 82 1 14 "Average Difference" CA 7 1.762 1.610 0.773 19759 83 1 14 "Average Difference" CB 7 7.249 -5.613 4.954 19759 84 1 14 "Average Difference" HN 6 0.561 -0.500 0.281 19759 85 1 15 "Average Difference" N 6 3.636 2.568 2.819 19759 86 1 15 "Average Difference" HA 7 0.221 -0.028 0.237 19759 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19759 88 1 15 "Average Difference" CA 7 1.610 1.419 0.822 19759 89 1 15 "Average Difference" CB 7 7.163 -5.398 5.087 19759 90 1 15 "Average Difference" HN 6 0.390 -0.278 0.299 19759 91 1 16 "Average Difference" N 6 4.702 3.380 3.580 19759 92 1 16 "Average Difference" HA 7 0.204 -0.172 0.119 19759 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19759 94 1 16 "Average Difference" CA 7 1.619 1.293 1.052 19759 95 1 16 "Average Difference" CB 7 7.424 -6.080 4.602 19759 96 1 16 "Average Difference" HN 6 0.597 -0.451 0.427 19759 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 19759 _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 PRO HA H 3 4.650 4.650 4.475 0.175 19759 2 1 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.650 -0.880 19759 3 1 . 1 1 3 3 PRO CB C 3 32.120 32.120 31.737 0.383 19759 4 1 . 1 1 4 4 THR N N 4 113.200 113.200 114.887 -1.687 19759 5 1 . 1 1 4 4 THR HA H 4 4.710 4.710 4.511 0.199 19759 6 1 . 1 1 4 4 THR CA C 4 59.900 59.900 61.056 -1.156 19759 7 1 . 1 1 4 4 THR CB C 4 79.320 79.320 70.617 8.703 19759 8 1 . 1 1 4 4 THR H H 4 8.710 8.710 8.047 0.663 19759 9 1 . 1 1 5 5 THR N N 5 111.800 111.800 114.920 -3.120 19759 10 1 . 1 1 5 5 THR HA H 5 4.790 4.790 4.645 0.145 19759 11 1 . 1 1 5 5 THR CA C 5 59.280 59.280 61.415 -2.135 19759 12 1 . 1 1 5 5 THR CB C 5 80.090 80.090 70.334 9.756 19759 13 1 . 1 1 5 5 THR H H 5 8.910 8.910 8.201 0.709 19759 14 1 . 1 1 6 6 THR N N 6 110.600 110.600 115.778 -5.178 19759 15 1 . 1 1 6 6 THR HA H 6 4.750 4.750 4.627 0.123 19759 16 1 . 1 1 6 6 THR CA C 6 59.270 59.270 61.273 -2.003 19759 17 1 . 1 1 6 6 THR CB C 6 80.720 80.720 70.204 10.516 19759 18 1 . 1 1 6 6 THR H H 6 8.940 8.940 8.310 0.630 19759 19 1 . 1 1 7 7 THR N N 7 109.800 109.800 114.267 -4.467 19759 20 1 . 1 1 7 7 THR HA H 7 4.530 4.530 4.510 0.020 19759 21 1 . 1 1 7 7 THR CA C 7 59.220 59.220 61.428 -2.208 19759 22 1 . 1 1 7 7 THR CB C 7 79.400 79.400 70.299 9.100 19759 23 1 . 1 1 7 7 THR H H 7 8.880 8.880 8.309 0.571 19759 24 1 . 1 1 8 8 LYS N N 8 119.600 119.600 123.488 -3.888 19759 25 1 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.244 -0.004 19759 26 1 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.362 -1.022 19759 27 1 . 1 1 8 8 LYS CB C 8 33.940 33.940 32.902 1.038 19759 28 1 . 1 1 8 8 LYS H H 8 8.460 8.460 8.483 -0.023 19759 29 1 . 1 1 9 9 LYS N N 9 124.600 124.600 123.490 1.110 19759 30 1 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.358 0.042 19759 31 1 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.645 -1.075 19759 32 1 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.878 0.702 19759 33 1 . 1 1 9 9 LYS H H 9 8.500 8.500 8.355 0.145 19759 stop_ save_