data_19664 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19664 _Entry.PDB_ID 2MI3 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 19664 _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 17 17 ALA CB C 17 17.873 17.873 19.511 -1.638 19664 2 1 1 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.454 -1.964 19664 3 1 1 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.477 0.702 19664 4 1 1 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.115 1.317 19664 5 1 1 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664 6 1 1 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.750 -1.424 19664 7 1 1 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.403 -2.248 19664 8 1 1 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.333 -0.766 19664 9 1 1 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.379 -0.835 19664 10 1 1 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664 11 1 1 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664 12 1 1 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664 13 1 1 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.340 -1.254 19664 14 1 1 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.293 -0.896 19664 15 1 1 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.029 1.444 19664 16 1 1 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.184 -0.496 19664 17 1 2 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.508 -1.635 19664 18 1 2 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.453 -1.962 19664 19 1 2 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.477 0.702 19664 20 1 2 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.114 1.318 19664 21 1 2 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664 22 1 2 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.750 -1.424 19664 23 1 2 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.402 -2.247 19664 24 1 2 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.334 -0.767 19664 25 1 2 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.379 -0.835 19664 26 1 2 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.235 -0.651 19664 27 1 2 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664 28 1 2 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664 29 1 2 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.340 -1.254 19664 30 1 2 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.291 -0.894 19664 31 1 2 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.031 1.442 19664 32 1 2 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.183 -0.495 19664 33 1 3 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.509 -1.636 19664 34 1 3 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.454 -1.963 19664 35 1 3 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.479 0.700 19664 36 1 3 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.115 1.317 19664 37 1 3 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664 38 1 3 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.749 -1.423 19664 39 1 3 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.404 -2.248 19664 40 1 3 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.334 -0.767 19664 41 1 3 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.378 -0.834 19664 42 1 3 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664 43 1 3 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.064 -0.960 19664 44 1 3 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664 45 1 3 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.339 -1.253 19664 46 1 3 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.292 -0.895 19664 47 1 3 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.028 1.445 19664 48 1 3 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.183 -0.495 19664 49 1 4 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.508 -1.635 19664 50 1 4 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.454 -1.963 19664 51 1 4 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.476 0.703 19664 52 1 4 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.115 1.317 19664 53 1 4 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664 54 1 4 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.748 -1.423 19664 55 1 4 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.403 -2.248 19664 56 1 4 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.335 -0.768 19664 57 1 4 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.378 -0.834 19664 58 1 4 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664 59 1 4 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.064 -0.960 19664 60 1 4 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.618 -1.082 19664 61 1 4 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.345 -1.259 19664 62 1 4 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.294 -0.897 19664 63 1 4 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.031 1.442 19664 64 1 4 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.184 -0.496 19664 65 1 5 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.509 -1.636 19664 66 1 5 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.524 -2.033 19664 67 1 5 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.477 0.702 19664 68 1 5 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.114 1.318 19664 69 1 5 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664 70 1 5 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.750 -1.424 19664 71 1 5 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.403 -2.248 19664 72 1 5 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.335 -0.768 19664 73 1 5 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.378 -0.834 19664 74 1 5 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.237 -0.653 19664 75 1 5 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664 76 1 5 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664 77 1 5 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.342 -1.256 19664 78 1 5 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.292 -0.895 19664 79 1 5 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.085 1.388 19664 80 1 5 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.183 -0.495 19664 81 1 6 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.511 -1.638 19664 82 1 6 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.524 -2.034 19664 83 1 6 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.477 0.702 19664 84 1 6 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.115 1.317 19664 85 1 6 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.172 -1.235 19664 86 1 6 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.749 -1.423 19664 87 1 6 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.403 -2.248 19664 88 1 6 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.334 -0.767 19664 89 1 6 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.379 -0.835 19664 90 1 6 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664 91 1 6 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.064 -0.960 19664 92 1 6 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664 93 1 6 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.338 -1.252 19664 94 1 6 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.294 -0.897 19664 95 1 6 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.032 1.441 19664 96 1 6 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.182 -0.494 19664 97 1 7 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.506 -1.633 19664 98 1 7 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.453 -1.962 19664 99 1 7 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.478 0.701 19664 100 1 7 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.114 1.318 19664 101 1 7 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.172 -1.235 19664 102 1 7 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.750 -1.423 19664 103 1 7 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.402 -2.247 19664 104 1 7 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.337 -0.770 19664 105 1 7 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.380 -0.836 19664 106 1 7 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.237 -0.653 19664 107 1 7 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664 108 1 7 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.618 -1.082 19664 109 1 7 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.345 -1.259 19664 110 1 7 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.293 -0.896 19664 111 1 7 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.030 1.443 19664 112 1 7 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.185 -0.497 19664 113 1 8 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.510 -1.637 19664 114 1 8 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.453 -1.962 19664 115 1 8 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.476 0.703 19664 116 1 8 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.117 1.315 19664 117 1 8 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.174 -1.237 19664 118 1 8 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.749 -1.423 19664 119 1 8 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.402 -2.247 19664 120 1 8 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.335 -0.768 19664 121 1 8 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.379 -0.835 19664 122 1 8 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.235 -0.651 19664 123 1 8 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.066 -0.962 19664 124 1 8 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664 125 1 8 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.342 -1.256 19664 126 1 8 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.292 -0.895 19664 127 1 8 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.081 1.392 19664 128 1 8 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.182 -0.494 19664 129 1 9 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.507 -1.634 19664 130 1 9 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.453 -1.962 19664 131 1 9 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.479 0.700 19664 132 1 9 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.115 1.317 19664 133 1 9 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664 134 1 9 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.749 -1.423 19664 135 1 9 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.402 -2.248 19664 136 1 9 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.336 -0.769 19664 137 1 9 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.379 -0.835 19664 138 1 9 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664 139 1 9 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664 140 1 9 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.618 -1.082 19664 141 1 9 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.340 -1.254 19664 142 1 9 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.292 -0.895 19664 143 1 9 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.030 1.443 19664 144 1 9 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.181 -0.493 19664 145 1 10 . 1 1 17 17 ALA CB C 17 17.873 17.873 19.507 -1.634 19664 146 1 10 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.453 -1.962 19664 147 1 10 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.477 0.702 19664 148 1 10 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.116 1.316 19664 149 1 10 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.174 -1.237 19664 150 1 10 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.748 -1.422 19664 151 1 10 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.403 -2.248 19664 152 1 10 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.334 -0.767 19664 153 1 10 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.380 -0.835 19664 154 1 10 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664 155 1 10 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664 156 1 10 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664 157 1 10 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.341 -1.255 19664 158 1 10 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.293 -0.896 19664 159 1 10 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.032 1.441 19664 160 1 10 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.181 -0.493 19664 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 0 0.000 0.000 0.000 19664 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19664 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19664 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19664 5 1 1 "Average Difference" CB 16 1.272 0.749 1.061 19664 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19664 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19664 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19664 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19664 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19664 11 1 2 "Average Difference" CB 16 1.271 0.749 1.061 19664 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19664 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19664 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19664 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19664 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19664 17 1 3 "Average Difference" CB 16 1.272 0.749 1.061 19664 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19664 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19664 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19664 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19664 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19664 23 1 4 "Average Difference" CB 16 1.272 0.749 1.061 19664 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19664 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19664 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19664 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19664 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19664 29 1 5 "Average Difference" CB 16 1.275 0.757 1.059 19664 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19664 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19664 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19664 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19664 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19664 35 1 6 "Average Difference" CB 16 1.278 0.754 1.067 19664 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19664 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19664 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19664 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19664 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19664 41 1 7 "Average Difference" CB 16 1.272 0.749 1.061 19664 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19664 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19664 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19664 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19664 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19664 47 1 8 "Average Difference" CB 16 1.268 0.752 1.054 19664 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19664 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19664 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19664 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19664 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19664 53 1 9 "Average Difference" CB 16 1.271 0.749 1.061 19664 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19664 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19664 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19664 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19664 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19664 59 1 10 "Average Difference" CB 16 1.271 0.749 1.061 19664 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19664 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 19664 _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 17 17 ALA CB C 17 17.873 17.873 19.509 -1.636 19664 2 1 . 1 1 19 19 ALA CB C 19 16.491 16.491 18.468 -1.977 19664 3 1 . 1 1 75 75 ALA CB C 75 19.179 19.179 18.477 0.702 19664 4 1 . 1 1 77 77 ALA CB C 77 19.432 19.432 18.115 1.317 19664 5 1 . 1 1 79 79 ALA CB C 79 16.937 16.937 18.173 -1.236 19664 6 1 . 1 1 81 81 ALA CB C 81 17.326 17.326 18.749 -1.423 19664 7 1 . 1 1 105 105 ALA CB C 105 16.155 16.155 18.403 -2.248 19664 8 1 . 1 1 115 115 ALA CB C 115 18.567 18.567 19.335 -0.768 19664 9 1 . 1 1 124 124 ALA CB C 124 17.544 17.544 18.379 -0.835 19664 10 1 . 1 1 125 125 ALA CB C 125 17.584 17.584 18.236 -0.652 19664 11 1 . 1 1 136 136 ALA CB C 136 17.104 17.104 18.065 -0.961 19664 12 1 . 1 1 141 141 ALA CB C 141 17.536 17.536 18.619 -1.083 19664 13 1 . 1 1 142 142 ALA CB C 142 17.086 17.086 18.341 -1.255 19664 14 1 . 1 1 143 143 ALA CB C 143 17.397 17.397 18.293 -0.896 19664 15 1 . 1 1 152 152 ALA CB C 152 24.473 24.473 23.041 1.432 19664 16 1 . 1 1 179 179 ALA CB C 179 17.688 17.688 18.183 -0.495 19664 stop_ save_