data_19190 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19190 _Entry.PDB_ID 2M7I 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 19190 _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 TRP HA H 2 4.751 4.751 4.998 -0.247 19190 2 1 1 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.216 0.104 19190 3 1 1 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.311 -0.551 19190 4 1 1 . 1 1 2 2 TRP H H 2 8.537 8.537 8.076 0.461 19190 5 1 2 . 1 1 2 2 TRP HA H 2 4.751 4.751 4.887 -0.136 19190 6 1 2 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.144 0.176 19190 7 1 2 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.278 -0.518 19190 8 1 2 . 1 1 2 2 TRP H H 2 8.537 8.537 8.130 0.407 19190 9 1 3 . 1 1 2 2 TRP HA H 2 4.751 4.751 5.035 -0.284 19190 10 1 3 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.203 0.117 19190 11 1 3 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.357 -0.597 19190 12 1 3 . 1 1 2 2 TRP H H 2 8.537 8.537 8.118 0.419 19190 13 1 4 . 1 1 2 2 TRP HA H 2 4.751 4.751 4.881 -0.130 19190 14 1 4 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.333 -0.013 19190 15 1 4 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.048 -0.288 19190 16 1 4 . 1 1 2 2 TRP H H 2 8.537 8.537 8.048 0.489 19190 17 1 5 . 1 1 2 2 TRP HA H 2 4.751 4.751 4.971 -0.220 19190 18 1 5 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.137 0.183 19190 19 1 5 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.326 -0.566 19190 20 1 5 . 1 1 2 2 TRP H H 2 8.537 8.537 8.132 0.405 19190 21 1 6 . 1 1 2 2 TRP HA H 2 4.751 4.751 5.019 -0.268 19190 22 1 6 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.123 0.196 19190 23 1 6 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.336 -0.576 19190 24 1 6 . 1 1 2 2 TRP H H 2 8.537 8.537 8.200 0.337 19190 25 1 7 . 1 1 2 2 TRP HA H 2 4.751 4.751 4.990 -0.239 19190 26 1 7 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.154 0.166 19190 27 1 7 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.238 -0.478 19190 28 1 7 . 1 1 2 2 TRP H H 2 8.537 8.537 8.133 0.404 19190 29 1 8 . 1 1 2 2 TRP HA H 2 4.751 4.751 4.874 -0.123 19190 30 1 8 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.045 0.275 19190 31 1 8 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.250 -0.490 19190 32 1 8 . 1 1 2 2 TRP H H 2 8.537 8.537 8.030 0.507 19190 33 1 9 . 1 1 2 2 TRP HA H 2 4.751 4.751 4.943 -0.192 19190 34 1 9 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.083 0.237 19190 35 1 9 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.125 -0.365 19190 36 1 9 . 1 1 2 2 TRP H H 2 8.537 8.537 8.131 0.406 19190 37 1 10 . 1 1 2 2 TRP HA H 2 4.751 4.751 5.082 -0.331 19190 38 1 10 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.046 0.274 19190 39 1 10 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.175 -0.415 19190 40 1 10 . 1 1 2 2 TRP H H 2 8.537 8.537 8.140 0.397 19190 41 1 11 . 1 1 2 2 TRP HA H 2 4.751 4.751 4.907 -0.156 19190 42 1 11 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.328 -0.008 19190 43 1 11 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.031 -0.271 19190 44 1 11 . 1 1 2 2 TRP H H 2 8.537 8.537 8.144 0.393 19190 45 1 12 . 1 1 2 2 TRP HA H 2 4.751 4.751 4.946 -0.195 19190 46 1 12 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.178 0.142 19190 47 1 12 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.148 -0.389 19190 48 1 12 . 1 1 2 2 TRP H H 2 8.537 8.537 8.194 0.343 19190 49 1 13 . 1 1 2 2 TRP HA H 2 4.751 4.751 5.089 -0.338 19190 50 1 13 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.160 0.160 19190 51 1 13 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.194 -0.434 19190 52 1 13 . 1 1 2 2 TRP H H 2 8.537 8.537 8.083 0.454 19190 53 1 14 . 1 1 2 2 TRP HA H 2 4.751 4.751 5.055 -0.304 19190 54 1 14 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.196 0.124 19190 55 1 14 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.244 -0.484 19190 56 1 14 . 1 1 2 2 TRP H H 2 8.537 8.537 8.192 0.345 19190 57 1 15 . 1 1 2 2 TRP HA H 2 4.751 4.751 4.908 -0.157 19190 58 1 15 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.332 -0.012 19190 59 1 15 . 1 1 2 2 TRP CB C 2 30.760 30.760 30.891 -0.131 19190 60 1 15 . 1 1 2 2 TRP H H 2 8.537 8.537 8.199 0.338 19190 61 1 16 . 1 1 2 2 TRP HA H 2 4.751 4.751 4.864 -0.113 19190 62 1 16 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.365 -0.046 19190 63 1 16 . 1 1 2 2 TRP CB C 2 30.760 30.760 30.846 -0.086 19190 64 1 16 . 1 1 2 2 TRP H H 2 8.537 8.537 8.137 0.400 19190 65 1 17 . 1 1 2 2 TRP HA H 2 4.751 4.751 5.057 -0.306 19190 66 1 17 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.086 0.234 19190 67 1 17 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.288 -0.528 19190 68 1 17 . 1 1 2 2 TRP H H 2 8.537 8.537 8.104 0.433 19190 69 1 18 . 1 1 2 2 TRP HA H 2 4.751 4.751 5.002 -0.251 19190 70 1 18 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.214 0.106 19190 71 1 18 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.272 -0.512 19190 72 1 18 . 1 1 2 2 TRP H H 2 8.537 8.537 8.158 0.379 19190 73 1 19 . 1 1 2 2 TRP HA H 2 4.751 4.751 4.901 -0.150 19190 74 1 19 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.102 0.217 19190 75 1 19 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.399 -0.639 19190 76 1 19 . 1 1 2 2 TRP H H 2 8.537 8.537 8.005 0.532 19190 77 1 20 . 1 1 2 2 TRP HA H 2 4.751 4.751 4.887 -0.136 19190 78 1 20 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.260 0.061 19190 79 1 20 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.386 -0.626 19190 80 1 20 . 1 1 2 2 TRP H H 2 8.537 8.537 8.284 0.253 19190 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 19190 2 1 1 "Average Difference" HA 1 0.247 0.247 0.000 19190 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19190 4 1 1 "Average Difference" CA 1 0.104 -0.104 0.000 19190 5 1 1 "Average Difference" CB 1 0.551 0.551 0.000 19190 6 1 1 "Average Difference" HN 1 0.461 -0.461 0.000 19190 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19190 8 1 2 "Average Difference" HA 1 0.136 0.136 0.000 19190 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19190 10 1 2 "Average Difference" CA 1 0.176 -0.176 0.000 19190 11 1 2 "Average Difference" CB 1 0.518 0.518 0.000 19190 12 1 2 "Average Difference" HN 1 0.407 -0.407 0.000 19190 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19190 14 1 3 "Average Difference" HA 1 0.284 0.284 0.000 19190 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19190 16 1 3 "Average Difference" CA 1 0.117 -0.117 0.000 19190 17 1 3 "Average Difference" CB 1 0.597 0.597 0.000 19190 18 1 3 "Average Difference" HN 1 0.419 -0.419 0.000 19190 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19190 20 1 4 "Average Difference" HA 1 0.130 0.130 0.000 19190 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19190 22 1 4 "Average Difference" CA 1 0.013 0.013 0.000 19190 23 1 4 "Average Difference" CB 1 0.288 0.288 0.000 19190 24 1 4 "Average Difference" HN 1 0.489 -0.489 0.000 19190 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19190 26 1 5 "Average Difference" HA 1 0.220 0.220 0.000 19190 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19190 28 1 5 "Average Difference" CA 1 0.183 -0.183 0.000 19190 29 1 5 "Average Difference" CB 1 0.566 0.566 0.000 19190 30 1 5 "Average Difference" HN 1 0.405 -0.405 0.000 19190 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19190 32 1 6 "Average Difference" HA 1 0.268 0.268 0.000 19190 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19190 34 1 6 "Average Difference" CA 1 0.196 -0.196 0.000 19190 35 1 6 "Average Difference" CB 1 0.576 0.576 0.000 19190 36 1 6 "Average Difference" HN 1 0.337 -0.337 0.000 19190 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19190 38 1 7 "Average Difference" HA 1 0.239 0.239 0.000 19190 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19190 40 1 7 "Average Difference" CA 1 0.166 -0.166 0.000 19190 41 1 7 "Average Difference" CB 1 0.478 0.478 0.000 19190 42 1 7 "Average Difference" HN 1 0.404 -0.404 0.000 19190 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19190 44 1 8 "Average Difference" HA 1 0.123 0.123 0.000 19190 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19190 46 1 8 "Average Difference" CA 1 0.275 -0.275 0.000 19190 47 1 8 "Average Difference" CB 1 0.490 0.490 0.000 19190 48 1 8 "Average Difference" HN 1 0.507 -0.507 0.000 19190 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19190 50 1 9 "Average Difference" HA 1 0.192 0.192 0.000 19190 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19190 52 1 9 "Average Difference" CA 1 0.237 -0.237 0.000 19190 53 1 9 "Average Difference" CB 1 0.365 0.365 0.000 19190 54 1 9 "Average Difference" HN 1 0.406 -0.406 0.000 19190 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19190 56 1 10 "Average Difference" HA 1 0.331 0.331 0.000 19190 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19190 58 1 10 "Average Difference" CA 1 0.274 -0.274 0.000 19190 59 1 10 "Average Difference" CB 1 0.415 0.415 0.000 19190 60 1 10 "Average Difference" HN 1 0.397 -0.397 0.000 19190 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19190 62 1 11 "Average Difference" HA 1 0.156 0.156 0.000 19190 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19190 64 1 11 "Average Difference" CA 1 0.008 0.008 0.000 19190 65 1 11 "Average Difference" CB 1 0.271 0.271 0.000 19190 66 1 11 "Average Difference" HN 1 0.393 -0.393 0.000 19190 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19190 68 1 12 "Average Difference" HA 1 0.195 0.195 0.000 19190 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19190 70 1 12 "Average Difference" CA 1 0.142 -0.142 0.000 19190 71 1 12 "Average Difference" CB 1 0.389 0.389 0.000 19190 72 1 12 "Average Difference" HN 1 0.343 -0.343 0.000 19190 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19190 74 1 13 "Average Difference" HA 1 0.338 0.338 0.000 19190 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19190 76 1 13 "Average Difference" CA 1 0.160 -0.160 0.000 19190 77 1 13 "Average Difference" CB 1 0.434 0.434 0.000 19190 78 1 13 "Average Difference" HN 1 0.454 -0.454 0.000 19190 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19190 80 1 14 "Average Difference" HA 1 0.304 0.304 0.000 19190 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19190 82 1 14 "Average Difference" CA 1 0.125 -0.125 0.000 19190 83 1 14 "Average Difference" CB 1 0.484 0.484 0.000 19190 84 1 14 "Average Difference" HN 1 0.345 -0.345 0.000 19190 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19190 86 1 15 "Average Difference" HA 1 0.157 0.157 0.000 19190 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19190 88 1 15 "Average Difference" CA 1 0.012 0.012 0.000 19190 89 1 15 "Average Difference" CB 1 0.131 0.131 0.000 19190 90 1 15 "Average Difference" HN 1 0.338 -0.338 0.000 19190 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19190 92 1 16 "Average Difference" HA 1 0.113 0.113 0.000 19190 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19190 94 1 16 "Average Difference" CA 1 0.046 0.046 0.000 19190 95 1 16 "Average Difference" CB 1 0.086 0.086 0.000 19190 96 1 16 "Average Difference" HN 1 0.400 -0.400 0.000 19190 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19190 98 1 17 "Average Difference" HA 1 0.306 0.306 0.000 19190 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19190 100 1 17 "Average Difference" CA 1 0.234 -0.234 0.000 19190 101 1 17 "Average Difference" CB 1 0.528 0.528 0.000 19190 102 1 17 "Average Difference" HN 1 0.433 -0.433 0.000 19190 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19190 104 1 18 "Average Difference" HA 1 0.251 0.251 0.000 19190 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19190 106 1 18 "Average Difference" CA 1 0.106 -0.106 0.000 19190 107 1 18 "Average Difference" CB 1 0.512 0.512 0.000 19190 108 1 18 "Average Difference" HN 1 0.379 -0.379 0.000 19190 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19190 110 1 19 "Average Difference" HA 1 0.150 0.150 0.000 19190 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19190 112 1 19 "Average Difference" CA 1 0.217 -0.217 0.000 19190 113 1 19 "Average Difference" CB 1 0.639 0.639 0.000 19190 114 1 19 "Average Difference" HN 1 0.532 -0.532 0.000 19190 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19190 116 1 20 "Average Difference" HA 1 0.136 0.136 0.000 19190 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19190 118 1 20 "Average Difference" CA 1 0.061 -0.061 0.000 19190 119 1 20 "Average Difference" CB 1 0.626 0.626 0.000 19190 120 1 20 "Average Difference" HN 1 0.253 -0.253 0.000 19190 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 19190 _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 TRP HA H 2 4.751 4.751 4.965 -0.214 19190 2 1 . 1 1 2 2 TRP CA C 2 57.320 57.320 57.185 0.135 19190 3 1 . 1 1 2 2 TRP CB C 2 30.760 30.760 31.207 -0.447 19190 4 1 . 1 1 2 2 TRP H H 2 8.537 8.537 8.132 0.405 19190 stop_ save_