data_19131 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19131 _Entry.PDB_ID 2M6F 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 19131 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.780 0.150 19131 2 1 1 . 1 1 2 2 CYS H H 2 8.817 8.817 8.212 0.605 19131 3 1 1 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.301 -0.099 19131 4 1 1 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.050 -0.802 19131 5 1 1 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.034 -2.114 19131 6 1 1 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.941 -0.274 19131 7 1 1 . 1 1 7 7 TRP H H 7 6.549 6.549 7.088 -0.539 19131 8 1 2 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.811 0.119 19131 9 1 2 . 1 1 2 2 CYS H H 2 8.817 8.817 8.176 0.641 19131 10 1 2 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.301 -0.099 19131 11 1 2 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.049 -0.801 19131 12 1 2 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.032 -2.112 19131 13 1 2 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.942 -0.275 19131 14 1 2 . 1 1 7 7 TRP H H 7 6.549 6.549 7.085 -0.536 19131 15 1 3 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.800 0.130 19131 16 1 3 . 1 1 2 2 CYS H H 2 8.817 8.817 8.225 0.592 19131 17 1 3 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.301 -0.099 19131 18 1 3 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.052 -0.804 19131 19 1 3 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.033 -2.113 19131 20 1 3 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.942 -0.275 19131 21 1 3 . 1 1 7 7 TRP H H 7 6.549 6.549 7.092 -0.543 19131 22 1 4 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.803 0.127 19131 23 1 4 . 1 1 2 2 CYS H H 2 8.817 8.817 8.164 0.653 19131 24 1 4 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.302 -0.100 19131 25 1 4 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.051 -0.803 19131 26 1 4 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.038 -2.118 19131 27 1 4 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.942 -0.275 19131 28 1 4 . 1 1 7 7 TRP H H 7 6.549 6.549 7.091 -0.542 19131 29 1 5 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.796 0.134 19131 30 1 5 . 1 1 2 2 CYS H H 2 8.817 8.817 8.166 0.651 19131 31 1 5 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.303 -0.101 19131 32 1 5 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.048 -0.800 19131 33 1 5 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.040 -2.120 19131 34 1 5 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.942 -0.275 19131 35 1 5 . 1 1 7 7 TRP H H 7 6.549 6.549 7.089 -0.540 19131 36 1 6 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.778 0.152 19131 37 1 6 . 1 1 2 2 CYS H H 2 8.817 8.817 8.499 0.318 19131 38 1 6 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.298 -0.096 19131 39 1 6 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.058 -0.810 19131 40 1 6 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.023 -2.103 19131 41 1 6 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.941 -0.274 19131 42 1 6 . 1 1 7 7 TRP H H 7 6.549 6.549 7.086 -0.537 19131 43 1 7 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.762 0.168 19131 44 1 7 . 1 1 2 2 CYS H H 2 8.817 8.817 8.410 0.407 19131 45 1 7 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.297 -0.095 19131 46 1 7 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.057 -0.809 19131 47 1 7 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.017 -2.097 19131 48 1 7 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.941 -0.274 19131 49 1 7 . 1 1 7 7 TRP H H 7 6.549 6.549 7.087 -0.538 19131 50 1 8 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.890 0.040 19131 51 1 8 . 1 1 2 2 CYS H H 2 8.817 8.817 8.476 0.341 19131 52 1 8 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.288 -0.086 19131 53 1 8 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.028 -0.780 19131 54 1 8 . 1 1 6 6 PRO CB C 6 29.920 29.920 31.991 -2.071 19131 55 1 8 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.941 -0.274 19131 56 1 8 . 1 1 7 7 TRP H H 7 6.549 6.549 7.023 -0.474 19131 57 1 9 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.857 0.073 19131 58 1 9 . 1 1 2 2 CYS H H 2 8.817 8.817 8.529 0.288 19131 59 1 9 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.288 -0.086 19131 60 1 9 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.030 -0.782 19131 61 1 9 . 1 1 6 6 PRO CB C 6 29.920 29.920 31.987 -2.067 19131 62 1 9 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.940 -0.273 19131 63 1 9 . 1 1 7 7 TRP H H 7 6.549 6.549 7.031 -0.482 19131 64 1 10 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.877 0.053 19131 65 1 10 . 1 1 2 2 CYS H H 2 8.817 8.817 8.469 0.348 19131 66 1 10 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.288 -0.086 19131 67 1 10 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.030 -0.782 19131 68 1 10 . 1 1 6 6 PRO CB C 6 29.920 29.920 31.991 -2.071 19131 69 1 10 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.941 -0.274 19131 70 1 10 . 1 1 7 7 TRP H H 7 6.549 6.549 7.023 -0.474 19131 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 19131 2 1 1 "Average Difference" HA 3 0.189 0.075 0.213 19131 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19131 4 1 1 "Average Difference" CA 1 0.802 0.802 0.000 19131 5 1 1 "Average Difference" CB 1 2.114 2.114 0.000 19131 6 1 1 "Average Difference" HN 2 0.572 -0.033 0.808 19131 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19131 8 1 2 "Average Difference" HA 3 0.182 0.085 0.197 19131 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19131 10 1 2 "Average Difference" CA 1 0.801 0.801 0.000 19131 11 1 2 "Average Difference" CB 1 2.112 2.112 0.000 19131 12 1 2 "Average Difference" HN 2 0.591 -0.052 0.832 19131 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19131 14 1 3 "Average Difference" HA 3 0.185 0.081 0.203 19131 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19131 16 1 3 "Average Difference" CA 1 0.804 0.804 0.000 19131 17 1 3 "Average Difference" CB 1 2.113 2.113 0.000 19131 18 1 3 "Average Difference" HN 2 0.568 -0.025 0.803 19131 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19131 20 1 4 "Average Difference" HA 3 0.184 0.083 0.201 19131 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19131 22 1 4 "Average Difference" CA 1 0.803 0.803 0.000 19131 23 1 4 "Average Difference" CB 1 2.118 2.118 0.000 19131 24 1 4 "Average Difference" HN 2 0.600 -0.055 0.845 19131 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19131 26 1 5 "Average Difference" HA 3 0.186 0.081 0.205 19131 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19131 28 1 5 "Average Difference" CA 1 0.800 0.800 0.000 19131 29 1 5 "Average Difference" CB 1 2.120 2.120 0.000 19131 30 1 5 "Average Difference" HN 2 0.598 -0.055 0.842 19131 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19131 32 1 6 "Average Difference" HA 3 0.189 0.073 0.214 19131 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19131 34 1 6 "Average Difference" CA 1 0.810 0.810 0.000 19131 35 1 6 "Average Difference" CB 1 2.103 2.103 0.000 19131 36 1 6 "Average Difference" HN 2 0.442 0.110 0.605 19131 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19131 38 1 7 "Average Difference" HA 3 0.194 0.067 0.222 19131 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19131 40 1 7 "Average Difference" CA 1 0.809 0.809 0.000 19131 41 1 7 "Average Difference" CB 1 2.097 2.097 0.000 19131 42 1 7 "Average Difference" HN 2 0.477 0.066 0.668 19131 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19131 44 1 8 "Average Difference" HA 3 0.168 0.107 0.158 19131 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19131 46 1 8 "Average Difference" CA 1 0.780 0.780 0.000 19131 47 1 8 "Average Difference" CB 1 2.071 2.071 0.000 19131 48 1 8 "Average Difference" HN 2 0.413 0.067 0.576 19131 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19131 50 1 9 "Average Difference" HA 3 0.171 0.096 0.173 19131 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19131 52 1 9 "Average Difference" CA 1 0.782 0.782 0.000 19131 53 1 9 "Average Difference" CB 1 2.067 2.067 0.000 19131 54 1 9 "Average Difference" HN 2 0.397 0.097 0.544 19131 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19131 56 1 10 "Average Difference" HA 3 0.168 0.102 0.164 19131 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19131 58 1 10 "Average Difference" CA 1 0.782 0.782 0.000 19131 59 1 10 "Average Difference" CB 1 2.071 2.071 0.000 19131 60 1 10 "Average Difference" HN 2 0.416 0.063 0.582 19131 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 19131 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.815 0.115 19131 2 1 . 1 1 2 2 CYS H H 2 8.817 8.817 8.333 0.484 19131 3 1 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.297 -0.095 19131 4 1 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.045 -0.797 19131 5 1 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.019 -2.099 19131 6 1 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.941 -0.274 19131 7 1 . 1 1 7 7 TRP H H 7 6.549 6.549 7.069 -0.521 19131 stop_ save_