data_15827_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15827
_Entry.PDB_ID 2K98
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 3 . 1 1 1 A 2 2 ILE H H 2 8.540 8.739 -0.199 1
1 4 . 1 1 1 A 2 2 ILE HA H 2 4.270 3.859 0.411 1
1 13 . 1 1 1 A 3 3 GLY H H 3 8.480 8.369 0.111 1
1 14 . 1 1 1 A 3 3 GLY HA2 H 3 3.950 3.955 -0.005 1
1 15 . 1 1 1 A 3 3 GLY HA3 H 3 3.880 3.956 -0.076 1
1 16 . 1 1 1 A 4 4 LYS H H 4 8.160 8.241 -0.081 1
1 17 . 1 1 1 A 4 4 LYS HA H 4 4.330 4.126 0.204 1
1 22 . 1 1 1 A 5 5 PHE H H 5 8.260 8.190 0.070 1
1 23 . 1 1 1 A 5 5 PHE HA H 5 4.640 4.126 0.514 1
1 29 . 1 1 1 A 6 6 LEU H H 6 8.130 8.234 -0.104 1
1 30 . 1 1 1 A 6 6 LEU HA H 6 4.350 3.903 0.447 1
1 38 . 1 1 1 A 7 7 LYS H H 7 8.320 7.735 0.585 1
1 39 . 1 1 1 A 7 7 LYS HA H 7 4.330 3.933 0.397 1
1 43 . 1 1 1 A 8 8 LYS H H 8 8.270 8.209 0.061 1
1 44 . 1 1 1 A 8 8 LYS HA H 8 4.250 4.098 0.152 1
1 49 . 1 1 1 A 9 9 ALA H H 9 8.360 8.175 0.185 1
1 50 . 1 1 1 A 9 9 ALA HA H 9 4.320 4.075 0.245 1
1 54 . 1 1 1 A 10 10 LYS H H 10 8.270 8.290 -0.020 1
1 55 . 1 1 1 A 10 10 LYS HA H 10 4.260 3.873 0.387 1
1 59 . 1 1 1 A 11 11 LYS H H 11 8.330 8.161 0.169 1
1 60 . 1 1 1 A 11 11 LYS HA H 11 4.320 4.423 -0.103 1
1 64 . 1 1 1 A 12 12 GLY H H 12 8.490 8.341 0.149 1
1 65 . 1 1 1 A 12 12 GLY HA2 H 12 4.020 3.936 0.084 1
1 66 . 1 1 1 A 12 12 GLY HA3 H 12 4.020 3.936 0.084 1
1 67 . 1 1 1 A 13 13 ILE H H 13 8.110 8.636 -0.526 1
1 68 . 1 1 1 A 13 13 ILE HA H 13 4.220 4.319 -0.099 1
1 77 . 1 1 1 A 14 14 GLY H H 14 8.510 8.389 0.121 1
1 78 . 1 1 1 A 14 14 GLY HA2 H 14 3.940 3.984 -0.044 1
1 79 . 1 1 1 A 14 14 GLY HA3 H 14 3.940 4.002 -0.062 1
1 80 . 1 1 1 A 15 15 ALA H H 15 8.130 8.051 0.079 1
1 81 . 1 1 1 A 15 15 ALA HA H 15 4.330 4.101 0.229 1
1 85 . 1 1 1 A 16 16 VAL H H 16 8.170 7.887 0.283 1
1 86 . 1 1 1 A 16 16 VAL HA H 16 4.070 3.480 0.590 1
1 94 . 1 1 1 A 17 17 LEU H H 17 8.330 8.407 -0.077 1
1 95 . 1 1 1 A 17 17 LEU HA H 17 4.310 3.384 0.926 1
1 103 . 1 1 1 A 18 18 LYS H H 18 8.390 8.000 0.390 1
1 104 . 1 1 1 A 18 18 LYS HA H 18 4.300 3.946 0.354 1
1 109 . 1 1 1 A 19 19 VAL H H 19 8.200 7.438 0.762 1
1 110 . 1 1 1 A 19 19 VAL HA H 19 4.090 3.763 0.327 1
1 118 . 1 1 1 A 20 20 LEU H H 20 8.470 8.377 0.093 1
1 119 . 1 1 1 A 20 20 LEU HA H 20 4.480 3.914 0.566 1
1 127 . 1 1 1 A 21 21 THR H H 21 8.200 7.839 0.361 1
1 128 . 1 1 1 A 21 21 THR HA H 21 4.430 4.119 0.311 1
1 133 . 1 1 1 A 22 22 THR H H 22 8.140 8.080 0.060 1
1 134 . 1 1 1 A 22 22 THR HA H 22 4.360 4.180 0.180 1
1 139 . 1 1 1 A 23 23 GLY H H 23 8.460 7.793 0.667 1
1 140 . 1 1 1 A 23 23 GLY HA2 H 23 3.940 3.982 -0.042 1
1 141 . 1 1 1 A 23 23 GLY HA3 H 23 3.940 3.989 -0.049 1
1 3 . 2 1 1 A 2 2 ILE H H 2 8.540 8.718 -0.178 1
1 4 . 2 1 1 A 2 2 ILE HA H 2 4.270 3.891 0.379 1
1 13 . 2 1 1 A 3 3 GLY H H 3 8.480 8.369 0.111 1
1 14 . 2 1 1 A 3 3 GLY HA2 H 3 3.950 3.943 0.007 1
1 15 . 2 1 1 A 3 3 GLY HA3 H 3 3.880 3.944 -0.064 1
1 16 . 2 1 1 A 4 4 LYS H H 4 8.160 8.241 -0.081 1
1 17 . 2 1 1 A 4 4 LYS HA H 4 4.330 4.127 0.203 1
1 22 . 2 1 1 A 5 5 PHE H H 5 8.260 8.176 0.084 1
1 23 . 2 1 1 A 5 5 PHE HA H 5 4.640 4.129 0.511 1
1 29 . 2 1 1 A 6 6 LEU H H 6 8.130 8.221 -0.091 1
1 30 . 2 1 1 A 6 6 LEU HA H 6 4.350 3.905 0.445 1
1 38 . 2 1 1 A 7 7 LYS H H 7 8.320 7.837 0.483 1
1 39 . 2 1 1 A 7 7 LYS HA H 7 4.330 4.043 0.287 1
1 43 . 2 1 1 A 8 8 LYS H H 8 8.270 8.257 0.013 1
1 44 . 2 1 1 A 8 8 LYS HA H 8 4.250 4.085 0.165 1
1 49 . 2 1 1 A 9 9 ALA H H 9 8.360 8.157 0.203 1
1 50 . 2 1 1 A 9 9 ALA HA H 9 4.320 4.075 0.245 1
1 54 . 2 1 1 A 10 10 LYS H H 10 8.270 8.233 0.037 1
1 55 . 2 1 1 A 10 10 LYS HA H 10 4.260 3.899 0.361 1
1 59 . 2 1 1 A 11 11 LYS H H 11 8.330 8.209 0.121 1
1 60 . 2 1 1 A 11 11 LYS HA H 11 4.320 4.427 -0.107 1
1 64 . 2 1 1 A 12 12 GLY H H 12 8.490 8.381 0.109 1
1 65 . 2 1 1 A 12 12 GLY HA2 H 12 4.020 3.936 0.084 1
1 66 . 2 1 1 A 12 12 GLY HA3 H 12 4.020 3.936 0.084 1
1 67 . 2 1 1 A 13 13 ILE H H 13 8.110 8.645 -0.535 1
1 68 . 2 1 1 A 13 13 ILE HA H 13 4.220 4.318 -0.098 1
1 77 . 2 1 1 A 14 14 GLY H H 14 8.510 8.418 0.092 1
1 78 . 2 1 1 A 14 14 GLY HA2 H 14 3.940 3.984 -0.044 1
1 79 . 2 1 1 A 14 14 GLY HA3 H 14 3.940 4.004 -0.064 1
1 80 . 2 1 1 A 15 15 ALA H H 15 8.130 8.050 0.080 1
1 81 . 2 1 1 A 15 15 ALA HA H 15 4.330 4.157 0.173 1
1 85 . 2 1 1 A 16 16 VAL H H 16 8.170 7.889 0.281 1
1 86 . 2 1 1 A 16 16 VAL HA H 16 4.070 3.483 0.587 1
1 94 . 2 1 1 A 17 17 LEU H H 17 8.330 8.107 0.223 1
1 95 . 2 1 1 A 17 17 LEU HA H 17 4.310 3.308 1.002 1
1 103 . 2 1 1 A 18 18 LYS H H 18 8.390 8.026 0.364 1
1 104 . 2 1 1 A 18 18 LYS HA H 18 4.300 3.937 0.363 1
1 109 . 2 1 1 A 19 19 VAL H H 19 8.200 7.411 0.789 1
1 110 . 2 1 1 A 19 19 VAL HA H 19 4.090 3.791 0.299 1
1 118 . 2 1 1 A 20 20 LEU H H 20 8.470 8.252 0.218 1
1 119 . 2 1 1 A 20 20 LEU HA H 20 4.480 3.827 0.653 1
1 127 . 2 1 1 A 21 21 THR H H 21 8.200 7.892 0.308 1
1 128 . 2 1 1 A 21 21 THR HA H 21 4.430 4.078 0.352 1
1 133 . 2 1 1 A 22 22 THR H H 22 8.140 8.274 -0.134 1
1 134 . 2 1 1 A 22 22 THR HA H 22 4.360 4.104 0.256 1
1 139 . 2 1 1 A 23 23 GLY H H 23 8.460 7.910 0.550 1
1 140 . 2 1 1 A 23 23 GLY HA2 H 23 3.940 3.979 -0.039 1
1 141 . 2 1 1 A 23 23 GLY HA3 H 23 3.940 3.987 -0.047 1
1 3 . 3 1 1 A 2 2 ILE H H 2 8.540 8.435 0.105 1
1 4 . 3 1 1 A 2 2 ILE HA H 2 4.270 3.968 0.302 1
1 13 . 3 1 1 A 3 3 GLY H H 3 8.480 8.369 0.111 1
1 14 . 3 1 1 A 3 3 GLY HA2 H 3 3.950 3.955 -0.005 1
1 15 . 3 1 1 A 3 3 GLY HA3 H 3 3.880 3.956 -0.076 1
1 16 . 3 1 1 A 4 4 LYS H H 4 8.160 8.240 -0.080 1
1 17 . 3 1 1 A 4 4 LYS HA H 4 4.330 4.126 0.204 1
1 22 . 3 1 1 A 5 5 PHE H H 5 8.260 8.180 0.080 1
1 23 . 3 1 1 A 5 5 PHE HA H 5 4.640 4.129 0.511 1
1 29 . 3 1 1 A 6 6 LEU H H 6 8.130 8.228 -0.098 1
1 30 . 3 1 1 A 6 6 LEU HA H 6 4.350 3.904 0.446 1
1 38 . 3 1 1 A 7 7 LYS H H 7 8.320 7.740 0.580 1
1 39 . 3 1 1 A 7 7 LYS HA H 7 4.330 3.925 0.405 1
1 43 . 3 1 1 A 8 8 LYS H H 8 8.270 8.220 0.050 1
1 44 . 3 1 1 A 8 8 LYS HA H 8 4.250 4.100 0.150 1
1 49 . 3 1 1 A 9 9 ALA H H 9 8.360 8.213 0.147 1
1 50 . 3 1 1 A 9 9 ALA HA H 9 4.320 4.081 0.239 1
1 54 . 3 1 1 A 10 10 LYS H H 10 8.270 8.290 -0.020 1
1 55 . 3 1 1 A 10 10 LYS HA H 10 4.260 3.873 0.387 1
1 59 . 3 1 1 A 11 11 LYS H H 11 8.330 8.161 0.169 1
1 60 . 3 1 1 A 11 11 LYS HA H 11 4.320 4.423 -0.103 1
1 64 . 3 1 1 A 12 12 GLY H H 12 8.490 8.341 0.149 1
1 65 . 3 1 1 A 12 12 GLY HA2 H 12 4.020 3.936 0.084 1
1 66 . 3 1 1 A 12 12 GLY HA3 H 12 4.020 3.936 0.084 1
1 67 . 3 1 1 A 13 13 ILE H H 13 8.110 8.628 -0.518 1
1 68 . 3 1 1 A 13 13 ILE HA H 13 4.220 4.318 -0.098 1
1 77 . 3 1 1 A 14 14 GLY H H 14 8.510 8.389 0.121 1
1 78 . 3 1 1 A 14 14 GLY HA2 H 14 3.940 3.983 -0.043 1
1 79 . 3 1 1 A 14 14 GLY HA3 H 14 3.940 4.002 -0.062 1
1 80 . 3 1 1 A 15 15 ALA H H 15 8.130 8.049 0.081 1
1 81 . 3 1 1 A 15 15 ALA HA H 15 4.330 4.072 0.258 1
1 85 . 3 1 1 A 16 16 VAL H H 16 8.170 7.924 0.246 1
1 86 . 3 1 1 A 16 16 VAL HA H 16 4.070 3.483 0.587 1
1 94 . 3 1 1 A 17 17 LEU H H 17 8.330 8.388 -0.058 1
1 95 . 3 1 1 A 17 17 LEU HA H 17 4.310 3.395 0.915 1
1 103 . 3 1 1 A 18 18 LYS H H 18 8.390 8.002 0.388 1
1 104 . 3 1 1 A 18 18 LYS HA H 18 4.300 3.946 0.354 1
1 109 . 3 1 1 A 19 19 VAL H H 19 8.200 7.437 0.763 1
1 110 . 3 1 1 A 19 19 VAL HA H 19 4.090 3.763 0.327 1
1 118 . 3 1 1 A 20 20 LEU H H 20 8.470 8.429 0.041 1
1 119 . 3 1 1 A 20 20 LEU HA H 20 4.480 3.873 0.607 1
1 127 . 3 1 1 A 21 21 THR H H 21 8.200 8.117 0.083 1
1 128 . 3 1 1 A 21 21 THR HA H 21 4.430 4.007 0.423 1
1 133 . 3 1 1 A 22 22 THR H H 22 8.140 8.245 -0.105 1
1 134 . 3 1 1 A 22 22 THR HA H 22 4.360 3.938 0.422 1
1 139 . 3 1 1 A 23 23 GLY H H 23 8.460 7.488 0.972 1
1 140 . 3 1 1 A 23 23 GLY HA2 H 23 3.940 4.001 -0.061 1
1 141 . 3 1 1 A 23 23 GLY HA3 H 23 3.940 4.006 -0.066 1
1 3 . 4 1 1 A 2 2 ILE H H 2 8.540 8.767 -0.227 1
1 4 . 4 1 1 A 2 2 ILE HA H 2 4.270 3.897 0.373 1
1 13 . 4 1 1 A 3 3 GLY H H 3 8.480 8.368 0.112 1
1 14 . 4 1 1 A 3 3 GLY HA2 H 3 3.950 3.953 -0.003 1
1 15 . 4 1 1 A 3 3 GLY HA3 H 3 3.880 3.954 -0.074 1
1 16 . 4 1 1 A 4 4 LYS H H 4 8.160 8.236 -0.076 1
1 17 . 4 1 1 A 4 4 LYS HA H 4 4.330 4.126 0.204 1
1 22 . 4 1 1 A 5 5 PHE H H 5 8.260 8.172 0.088 1
1 23 . 4 1 1 A 5 5 PHE HA H 5 4.640 4.130 0.510 1
1 29 . 4 1 1 A 6 6 LEU H H 6 8.130 8.215 -0.085 1
1 30 . 4 1 1 A 6 6 LEU HA H 6 4.350 3.934 0.416 1
1 38 . 4 1 1 A 7 7 LYS H H 7 8.320 7.699 0.621 1
1 39 . 4 1 1 A 7 7 LYS HA H 7 4.330 3.932 0.398 1
1 43 . 4 1 1 A 8 8 LYS H H 8 8.270 8.250 0.020 1
1 44 . 4 1 1 A 8 8 LYS HA H 8 4.250 4.099 0.151 1
1 49 . 4 1 1 A 9 9 ALA H H 9 8.360 8.159 0.201 1
1 50 . 4 1 1 A 9 9 ALA HA H 9 4.320 4.079 0.241 1
1 54 . 4 1 1 A 10 10 LYS H H 10 8.270 8.290 -0.020 1
1 55 . 4 1 1 A 10 10 LYS HA H 10 4.260 3.872 0.388 1
1 59 . 4 1 1 A 11 11 LYS H H 11 8.330 7.689 0.641 1
1 60 . 4 1 1 A 11 11 LYS HA H 11 4.320 4.422 -0.102 1
1 64 . 4 1 1 A 12 12 GLY H H 12 8.490 8.341 0.149 1
1 65 . 4 1 1 A 12 12 GLY HA2 H 12 4.020 3.936 0.084 1
1 66 . 4 1 1 A 12 12 GLY HA3 H 12 4.020 3.936 0.084 1
1 67 . 4 1 1 A 13 13 ILE H H 13 8.110 8.640 -0.530 1
1 68 . 4 1 1 A 13 13 ILE HA H 13 4.220 4.314 -0.094 1
1 77 . 4 1 1 A 14 14 GLY H H 14 8.510 8.365 0.145 1
1 78 . 4 1 1 A 14 14 GLY HA2 H 14 3.940 3.984 -0.044 1
1 79 . 4 1 1 A 14 14 GLY HA3 H 14 3.940 4.003 -0.063 1
1 80 . 4 1 1 A 15 15 ALA H H 15 8.130 8.053 0.077 1
1 81 . 4 1 1 A 15 15 ALA HA H 15 4.330 4.118 0.212 1
1 85 . 4 1 1 A 16 16 VAL H H 16 8.170 7.886 0.284 1
1 86 . 4 1 1 A 16 16 VAL HA H 16 4.070 3.483 0.587 1
1 94 . 4 1 1 A 17 17 LEU H H 17 8.330 8.145 0.185 1
1 95 . 4 1 1 A 17 17 LEU HA H 17 4.310 3.293 1.017 1
1 103 . 4 1 1 A 18 18 LYS H H 18 8.390 8.031 0.359 1
1 104 . 4 1 1 A 18 18 LYS HA H 18 4.300 3.919 0.381 1
1 109 . 4 1 1 A 19 19 VAL H H 19 8.200 7.416 0.784 1
1 110 . 4 1 1 A 19 19 VAL HA H 19 4.090 3.758 0.332 1
1 118 . 4 1 1 A 20 20 LEU H H 20 8.470 8.258 0.212 1
1 119 . 4 1 1 A 20 20 LEU HA H 20 4.480 3.904 0.576 1
1 127 . 4 1 1 A 21 21 THR H H 21 8.200 7.817 0.383 1
1 128 . 4 1 1 A 21 21 THR HA H 21 4.430 4.090 0.340 1
1 133 . 4 1 1 A 22 22 THR H H 22 8.140 8.132 0.008 1
1 134 . 4 1 1 A 22 22 THR HA H 22 4.360 4.152 0.208 1
1 139 . 4 1 1 A 23 23 GLY H H 23 8.460 7.858 0.602 1
1 140 . 4 1 1 A 23 23 GLY HA2 H 23 3.940 4.016 -0.076 1
1 141 . 4 1 1 A 23 23 GLY HA3 H 23 3.940 4.024 -0.084 1
1 3 . 5 1 1 A 2 2 ILE H H 2 8.540 8.402 0.138 1
1 4 . 5 1 1 A 2 2 ILE HA H 2 4.270 3.976 0.294 1
1 13 . 5 1 1 A 3 3 GLY H H 3 8.480 8.370 0.110 1
1 14 . 5 1 1 A 3 3 GLY HA2 H 3 3.950 3.947 0.003 1
1 15 . 5 1 1 A 3 3 GLY HA3 H 3 3.880 3.947 -0.067 1
1 16 . 5 1 1 A 4 4 LYS H H 4 8.160 8.095 0.065 1
1 17 . 5 1 1 A 4 4 LYS HA H 4 4.330 4.140 0.190 1
1 22 . 5 1 1 A 5 5 PHE H H 5 8.260 8.166 0.094 1
1 23 . 5 1 1 A 5 5 PHE HA H 5 4.640 4.137 0.503 1
1 29 . 5 1 1 A 6 6 LEU H H 6 8.130 8.125 0.005 1
1 30 . 5 1 1 A 6 6 LEU HA H 6 4.350 3.955 0.395 1
1 38 . 5 1 1 A 7 7 LYS H H 7 8.320 7.734 0.586 1
1 39 . 5 1 1 A 7 7 LYS HA H 7 4.330 3.928 0.402 1
1 43 . 5 1 1 A 8 8 LYS H H 8 8.270 8.307 -0.037 1
1 44 . 5 1 1 A 8 8 LYS HA H 8 4.250 4.083 0.167 1
1 49 . 5 1 1 A 9 9 ALA H H 9 8.360 8.202 0.158 1
1 50 . 5 1 1 A 9 9 ALA HA H 9 4.320 4.082 0.238 1
1 54 . 5 1 1 A 10 10 LYS H H 10 8.270 8.176 0.094 1
1 55 . 5 1 1 A 10 10 LYS HA H 10 4.260 3.917 0.343 1
1 59 . 5 1 1 A 11 11 LYS H H 11 8.330 7.853 0.477 1
1 60 . 5 1 1 A 11 11 LYS HA H 11 4.320 4.264 0.056 1
1 64 . 5 1 1 A 12 12 GLY H H 12 8.490 7.963 0.527 1
1 65 . 5 1 1 A 12 12 GLY HA2 H 12 4.020 4.170 -0.150 1
1 66 . 5 1 1 A 12 12 GLY HA3 H 12 4.020 4.171 -0.151 1
1 67 . 5 1 1 A 13 13 ILE H H 13 8.110 8.657 -0.547 1
1 68 . 5 1 1 A 13 13 ILE HA H 13 4.220 4.171 0.049 1
1 77 . 5 1 1 A 14 14 GLY H H 14 8.510 8.392 0.118 1
1 78 . 5 1 1 A 14 14 GLY HA2 H 14 3.940 3.919 0.021 1
1 79 . 5 1 1 A 14 14 GLY HA3 H 14 3.940 3.941 -0.001 1
1 80 . 5 1 1 A 15 15 ALA H H 15 8.130 8.018 0.112 1
1 81 . 5 1 1 A 15 15 ALA HA H 15 4.330 4.036 0.294 1
1 85 . 5 1 1 A 16 16 VAL H H 16 8.170 7.982 0.188 1
1 86 . 5 1 1 A 16 16 VAL HA H 16 4.070 3.491 0.579 1
1 94 . 5 1 1 A 17 17 LEU H H 17 8.330 8.143 0.187 1
1 95 . 5 1 1 A 17 17 LEU HA H 17 4.310 3.405 0.905 1
1 103 . 5 1 1 A 18 18 LYS H H 18 8.390 8.045 0.345 1
1 104 . 5 1 1 A 18 18 LYS HA H 18 4.300 3.946 0.354 1
1 109 . 5 1 1 A 19 19 VAL H H 19 8.200 7.434 0.766 1
1 110 . 5 1 1 A 19 19 VAL HA H 19 4.090 3.831 0.259 1
1 118 . 5 1 1 A 20 20 LEU H H 20 8.470 8.415 0.055 1
1 119 . 5 1 1 A 20 20 LEU HA H 20 4.480 3.839 0.641 1
1 127 . 5 1 1 A 21 21 THR H H 21 8.200 7.934 0.266 1
1 128 . 5 1 1 A 21 21 THR HA H 21 4.430 3.978 0.452 1
1 133 . 5 1 1 A 22 22 THR H H 22 8.140 8.251 -0.111 1
1 134 . 5 1 1 A 22 22 THR HA H 22 4.360 4.116 0.244 1
1 139 . 5 1 1 A 23 23 GLY H H 23 8.460 7.838 0.622 1
1 140 . 5 1 1 A 23 23 GLY HA2 H 23 3.940 3.977 -0.037 1
1 141 . 5 1 1 A 23 23 GLY HA3 H 23 3.940 3.987 -0.047 1
1 3 . 6 1 1 A 2 2 ILE H H 2 8.540 8.555 -0.015 1
1 4 . 6 1 1 A 2 2 ILE HA H 2 4.270 3.951 0.319 1
1 13 . 6 1 1 A 3 3 GLY H H 3 8.480 8.370 0.110 1
1 14 . 6 1 1 A 3 3 GLY HA2 H 3 3.950 3.933 0.017 1
1 15 . 6 1 1 A 3 3 GLY HA3 H 3 3.880 3.934 -0.054 1
1 16 . 6 1 1 A 4 4 LYS H H 4 8.160 8.099 0.061 1
1 17 . 6 1 1 A 4 4 LYS HA H 4 4.330 4.140 0.190 1
1 22 . 6 1 1 A 5 5 PHE H H 5 8.260 8.156 0.104 1
1 23 . 6 1 1 A 5 5 PHE HA H 5 4.640 4.139 0.501 1
1 29 . 6 1 1 A 6 6 LEU H H 6 8.130 8.119 0.011 1
1 30 . 6 1 1 A 6 6 LEU HA H 6 4.350 3.937 0.413 1
1 38 . 6 1 1 A 7 7 LYS H H 7 8.320 7.727 0.593 1
1 39 . 6 1 1 A 7 7 LYS HA H 7 4.330 3.934 0.396 1
1 43 . 6 1 1 A 8 8 LYS H H 8 8.270 8.302 -0.032 1
1 44 . 6 1 1 A 8 8 LYS HA H 8 4.250 4.093 0.157 1
1 49 . 6 1 1 A 9 9 ALA H H 9 8.360 8.213 0.147 1
1 50 . 6 1 1 A 9 9 ALA HA H 9 4.320 4.080 0.240 1
1 54 . 6 1 1 A 10 10 LYS H H 10 8.270 8.175 0.095 1
1 55 . 6 1 1 A 10 10 LYS HA H 10 4.260 3.915 0.345 1
1 59 . 6 1 1 A 11 11 LYS H H 11 8.330 7.813 0.517 1
1 60 . 6 1 1 A 11 11 LYS HA H 11 4.320 4.266 0.054 1
1 64 . 6 1 1 A 12 12 GLY H H 12 8.490 8.073 0.417 1
1 65 . 6 1 1 A 12 12 GLY HA2 H 12 4.020 4.170 -0.150 1
1 66 . 6 1 1 A 12 12 GLY HA3 H 12 4.020 4.172 -0.152 1
1 67 . 6 1 1 A 13 13 ILE H H 13 8.110 8.647 -0.537 1
1 68 . 6 1 1 A 13 13 ILE HA H 13 4.220 4.174 0.046 1
1 77 . 6 1 1 A 14 14 GLY H H 14 8.510 8.461 0.049 1
1 78 . 6 1 1 A 14 14 GLY HA2 H 14 3.940 3.913 0.027 1
1 79 . 6 1 1 A 14 14 GLY HA3 H 14 3.940 3.934 0.006 1
1 80 . 6 1 1 A 15 15 ALA H H 15 8.130 8.026 0.104 1
1 81 . 6 1 1 A 15 15 ALA HA H 15 4.330 4.015 0.315 1
1 85 . 6 1 1 A 16 16 VAL H H 16 8.170 7.985 0.185 1
1 86 . 6 1 1 A 16 16 VAL HA H 16 4.070 3.486 0.584 1
1 94 . 6 1 1 A 17 17 LEU H H 17 8.330 8.403 -0.073 1
1 95 . 6 1 1 A 17 17 LEU HA H 17 4.310 3.539 0.771 1
1 103 . 6 1 1 A 18 18 LYS H H 18 8.390 8.004 0.386 1
1 104 . 6 1 1 A 18 18 LYS HA H 18 4.300 3.975 0.325 1
1 109 . 6 1 1 A 19 19 VAL H H 19 8.200 7.447 0.753 1
1 110 . 6 1 1 A 19 19 VAL HA H 19 4.090 3.772 0.318 1
1 118 . 6 1 1 A 20 20 LEU H H 20 8.470 8.536 -0.066 1
1 119 . 6 1 1 A 20 20 LEU HA H 20 4.480 3.891 0.589 1
1 127 . 6 1 1 A 21 21 THR H H 21 8.200 8.100 0.100 1
1 128 . 6 1 1 A 21 21 THR HA H 21 4.430 4.170 0.260 1
1 133 . 6 1 1 A 22 22 THR H H 22 8.140 8.244 -0.104 1
1 134 . 6 1 1 A 22 22 THR HA H 22 4.360 3.937 0.423 1
1 139 . 6 1 1 A 23 23 GLY H H 23 8.460 7.512 0.948 1
1 140 . 6 1 1 A 23 23 GLY HA2 H 23 3.940 3.980 -0.040 1
1 141 . 6 1 1 A 23 23 GLY HA3 H 23 3.940 3.987 -0.047 1
1 3 . 7 1 1 A 2 2 ILE H H 2 8.540 8.813 -0.273 1
1 4 . 7 1 1 A 2 2 ILE HA H 2 4.270 3.834 0.436 1
1 13 . 7 1 1 A 3 3 GLY H H 3 8.480 8.369 0.111 1
1 14 . 7 1 1 A 3 3 GLY HA2 H 3 3.950 3.953 -0.003 1
1 15 . 7 1 1 A 3 3 GLY HA3 H 3 3.880 3.954 -0.074 1
1 16 . 7 1 1 A 4 4 LYS H H 4 8.160 8.240 -0.080 1
1 17 . 7 1 1 A 4 4 LYS HA H 4 4.330 4.126 0.204 1
1 22 . 7 1 1 A 5 5 PHE H H 5 8.260 8.177 0.083 1
1 23 . 7 1 1 A 5 5 PHE HA H 5 4.640 4.129 0.511 1
1 29 . 7 1 1 A 6 6 LEU H H 6 8.130 8.218 -0.088 1
1 30 . 7 1 1 A 6 6 LEU HA H 6 4.350 3.907 0.443 1
1 38 . 7 1 1 A 7 7 LYS H H 7 8.320 7.712 0.608 1
1 39 . 7 1 1 A 7 7 LYS HA H 7 4.330 3.939 0.391 1
1 43 . 7 1 1 A 8 8 LYS H H 8 8.270 8.237 0.033 1
1 44 . 7 1 1 A 8 8 LYS HA H 8 4.250 4.087 0.163 1
1 49 . 7 1 1 A 9 9 ALA H H 9 8.360 8.151 0.209 1
1 50 . 7 1 1 A 9 9 ALA HA H 9 4.320 4.079 0.241 1
1 54 . 7 1 1 A 10 10 LYS H H 10 8.270 8.119 0.151 1
1 55 . 7 1 1 A 10 10 LYS HA H 10 4.260 4.068 0.192 1
1 59 . 7 1 1 A 11 11 LYS H H 11 8.330 7.721 0.609 1
1 60 . 7 1 1 A 11 11 LYS HA H 11 4.320 4.427 -0.107 1
1 64 . 7 1 1 A 12 12 GLY H H 12 8.490 8.387 0.103 1
1 65 . 7 1 1 A 12 12 GLY HA2 H 12 4.020 3.939 0.081 1
1 66 . 7 1 1 A 12 12 GLY HA3 H 12 4.020 3.940 0.080 1
1 67 . 7 1 1 A 13 13 ILE H H 13 8.110 8.630 -0.520 1
1 68 . 7 1 1 A 13 13 ILE HA H 13 4.220 4.315 -0.095 1
1 77 . 7 1 1 A 14 14 GLY H H 14 8.510 8.365 0.145 1
1 78 . 7 1 1 A 14 14 GLY HA2 H 14 3.940 3.984 -0.044 1
1 79 . 7 1 1 A 14 14 GLY HA3 H 14 3.940 4.004 -0.064 1
1 80 . 7 1 1 A 15 15 ALA H H 15 8.130 8.046 0.084 1
1 81 . 7 1 1 A 15 15 ALA HA H 15 4.330 4.174 0.156 1
1 85 . 7 1 1 A 16 16 VAL H H 16 8.170 7.954 0.216 1
1 86 . 7 1 1 A 16 16 VAL HA H 16 4.070 3.487 0.583 1
1 94 . 7 1 1 A 17 17 LEU H H 17 8.330 8.191 0.139 1
1 95 . 7 1 1 A 17 17 LEU HA H 17 4.310 3.287 1.023 1
1 103 . 7 1 1 A 18 18 LYS H H 18 8.390 8.047 0.343 1
1 104 . 7 1 1 A 18 18 LYS HA H 18 4.300 3.985 0.315 1
1 109 . 7 1 1 A 19 19 VAL H H 19 8.200 7.398 0.802 1
1 110 . 7 1 1 A 19 19 VAL HA H 19 4.090 3.762 0.328 1
1 118 . 7 1 1 A 20 20 LEU H H 20 8.470 8.260 0.210 1
1 119 . 7 1 1 A 20 20 LEU HA H 20 4.480 3.818 0.662 1
1 127 . 7 1 1 A 21 21 THR H H 21 8.200 7.855 0.345 1
1 128 . 7 1 1 A 21 21 THR HA H 21 4.430 3.909 0.521 1
1 133 . 7 1 1 A 22 22 THR H H 22 8.140 8.254 -0.114 1
1 134 . 7 1 1 A 22 22 THR HA H 22 4.360 3.943 0.417 1
1 139 . 7 1 1 A 23 23 GLY H H 23 8.460 7.921 0.539 1
1 140 . 7 1 1 A 23 23 GLY HA2 H 23 3.940 3.859 0.081 1
1 141 . 7 1 1 A 23 23 GLY HA3 H 23 3.940 3.867 0.073 1
1 3 . 8 1 1 A 2 2 ILE H H 2 8.540 8.669 -0.129 1
1 4 . 8 1 1 A 2 2 ILE HA H 2 4.270 3.889 0.381 1
1 13 . 8 1 1 A 3 3 GLY H H 3 8.480 8.370 0.110 1
1 14 . 8 1 1 A 3 3 GLY HA2 H 3 3.950 3.932 0.018 1
1 15 . 8 1 1 A 3 3 GLY HA3 H 3 3.880 3.933 -0.053 1
1 16 . 8 1 1 A 4 4 LYS H H 4 8.160 8.100 0.060 1
1 17 . 8 1 1 A 4 4 LYS HA H 4 4.330 4.165 0.165 1
1 22 . 8 1 1 A 5 5 PHE H H 5 8.260 8.165 0.095 1
1 23 . 8 1 1 A 5 5 PHE HA H 5 4.640 4.133 0.507 1
1 29 . 8 1 1 A 6 6 LEU H H 6 8.130 8.218 -0.088 1
1 30 . 8 1 1 A 6 6 LEU HA H 6 4.350 3.832 0.518 1
1 38 . 8 1 1 A 7 7 LYS H H 7 8.320 7.643 0.677 1
1 39 . 8 1 1 A 7 7 LYS HA H 7 4.330 3.969 0.361 1
1 43 . 8 1 1 A 8 8 LYS H H 8 8.270 8.287 -0.017 1
1 44 . 8 1 1 A 8 8 LYS HA H 8 4.250 4.086 0.164 1
1 49 . 8 1 1 A 9 9 ALA H H 9 8.360 8.161 0.199 1
1 50 . 8 1 1 A 9 9 ALA HA H 9 4.320 4.082 0.238 1
1 54 . 8 1 1 A 10 10 LYS H H 10 8.270 8.180 0.090 1
1 55 . 8 1 1 A 10 10 LYS HA H 10 4.260 3.926 0.334 1
1 59 . 8 1 1 A 11 11 LYS H H 11 8.330 7.824 0.506 1
1 60 . 8 1 1 A 11 11 LYS HA H 11 4.320 4.277 0.043 1
1 64 . 8 1 1 A 12 12 GLY H H 12 8.490 8.075 0.415 1
1 65 . 8 1 1 A 12 12 GLY HA2 H 12 4.020 4.172 -0.152 1
1 66 . 8 1 1 A 12 12 GLY HA3 H 12 4.020 4.173 -0.153 1
1 67 . 8 1 1 A 13 13 ILE H H 13 8.110 8.655 -0.545 1
1 68 . 8 1 1 A 13 13 ILE HA H 13 4.220 4.176 0.044 1
1 77 . 8 1 1 A 14 14 GLY H H 14 8.510 8.463 0.047 1
1 78 . 8 1 1 A 14 14 GLY HA2 H 14 3.940 3.915 0.025 1
1 79 . 8 1 1 A 14 14 GLY HA3 H 14 3.940 3.935 0.005 1
1 80 . 8 1 1 A 15 15 ALA H H 15 8.130 8.029 0.101 1
1 81 . 8 1 1 A 15 15 ALA HA H 15 4.330 4.012 0.318 1
1 85 . 8 1 1 A 16 16 VAL H H 16 8.170 7.990 0.180 1
1 86 . 8 1 1 A 16 16 VAL HA H 16 4.070 3.474 0.596 1
1 94 . 8 1 1 A 17 17 LEU H H 17 8.330 8.380 -0.050 1
1 95 . 8 1 1 A 17 17 LEU HA H 17 4.310 3.542 0.768 1
1 103 . 8 1 1 A 18 18 LYS H H 18 8.390 8.033 0.357 1
1 104 . 8 1 1 A 18 18 LYS HA H 18 4.300 3.955 0.345 1
1 109 . 8 1 1 A 19 19 VAL H H 19 8.200 7.478 0.722 1
1 110 . 8 1 1 A 19 19 VAL HA H 19 4.090 3.770 0.320 1
1 118 . 8 1 1 A 20 20 LEU H H 20 8.470 8.457 0.013 1
1 119 . 8 1 1 A 20 20 LEU HA H 20 4.480 3.948 0.532 1
1 127 . 8 1 1 A 21 21 THR H H 21 8.200 7.787 0.413 1
1 128 . 8 1 1 A 21 21 THR HA H 21 4.430 4.165 0.265 1
1 133 . 8 1 1 A 22 22 THR H H 22 8.140 8.036 0.104 1
1 134 . 8 1 1 A 22 22 THR HA H 22 4.360 4.204 0.156 1
1 139 . 8 1 1 A 23 23 GLY H H 23 8.460 7.801 0.659 1
1 140 . 8 1 1 A 23 23 GLY HA2 H 23 3.940 3.997 -0.057 1
1 141 . 8 1 1 A 23 23 GLY HA3 H 23 3.940 4.006 -0.066 1
1 3 . 9 1 1 A 2 2 ILE H H 2 8.540 8.547 -0.007 1
1 4 . 9 1 1 A 2 2 ILE HA H 2 4.270 3.900 0.370 1
1 13 . 9 1 1 A 3 3 GLY H H 3 8.480 8.360 0.120 1
1 14 . 9 1 1 A 3 3 GLY HA2 H 3 3.950 3.953 -0.003 1
1 15 . 9 1 1 A 3 3 GLY HA3 H 3 3.880 3.955 -0.075 1
1 16 . 9 1 1 A 4 4 LYS H H 4 8.160 7.601 0.559 1
1 17 . 9 1 1 A 4 4 LYS HA H 4 4.330 4.225 0.105 1
1 22 . 9 1 1 A 5 5 PHE H H 5 8.260 8.122 0.138 1
1 23 . 9 1 1 A 5 5 PHE HA H 5 4.640 4.100 0.540 1
1 29 . 9 1 1 A 6 6 LEU H H 6 8.130 8.171 -0.041 1
1 30 . 9 1 1 A 6 6 LEU HA H 6 4.350 3.909 0.441 1
1 38 . 9 1 1 A 7 7 LYS H H 7 8.320 7.836 0.484 1
1 39 . 9 1 1 A 7 7 LYS HA H 7 4.330 4.018 0.312 1
1 43 . 9 1 1 A 8 8 LYS H H 8 8.270 8.453 -0.183 1
1 44 . 9 1 1 A 8 8 LYS HA H 8 4.250 4.092 0.158 1
1 49 . 9 1 1 A 9 9 ALA H H 9 8.360 8.162 0.198 1
1 50 . 9 1 1 A 9 9 ALA HA H 9 4.320 4.088 0.232 1
1 54 . 9 1 1 A 10 10 LYS H H 10 8.270 7.965 0.305 1
1 55 . 9 1 1 A 10 10 LYS HA H 10 4.260 3.975 0.285 1
1 59 . 9 1 1 A 11 11 LYS H H 11 8.330 7.678 0.652 1
1 60 . 9 1 1 A 11 11 LYS HA H 11 4.320 4.461 -0.141 1
1 64 . 9 1 1 A 12 12 GLY H H 12 8.490 8.324 0.166 1
1 65 . 9 1 1 A 12 12 GLY HA2 H 12 4.020 3.939 0.081 1
1 66 . 9 1 1 A 12 12 GLY HA3 H 12 4.020 3.939 0.081 1
1 67 . 9 1 1 A 13 13 ILE H H 13 8.110 8.581 -0.471 1
1 68 . 9 1 1 A 13 13 ILE HA H 13 4.220 4.286 -0.066 1
1 77 . 9 1 1 A 14 14 GLY H H 14 8.510 8.387 0.123 1
1 78 . 9 1 1 A 14 14 GLY HA2 H 14 3.940 3.983 -0.043 1
1 79 . 9 1 1 A 14 14 GLY HA3 H 14 3.940 4.001 -0.061 1
1 80 . 9 1 1 A 15 15 ALA H H 15 8.130 8.051 0.079 1
1 81 . 9 1 1 A 15 15 ALA HA H 15 4.330 4.074 0.256 1
1 85 . 9 1 1 A 16 16 VAL H H 16 8.170 7.893 0.277 1
1 86 . 9 1 1 A 16 16 VAL HA H 16 4.070 3.488 0.582 1
1 94 . 9 1 1 A 17 17 LEU H H 17 8.330 8.447 -0.117 1
1 95 . 9 1 1 A 17 17 LEU HA H 17 4.310 3.411 0.899 1
1 103 . 9 1 1 A 18 18 LYS H H 18 8.390 8.003 0.387 1
1 104 . 9 1 1 A 18 18 LYS HA H 18 4.300 3.948 0.352 1
1 109 . 9 1 1 A 19 19 VAL H H 19 8.200 7.429 0.771 1
1 110 . 9 1 1 A 19 19 VAL HA H 19 4.090 3.764 0.326 1
1 118 . 9 1 1 A 20 20 LEU H H 20 8.470 8.436 0.034 1
1 119 . 9 1 1 A 20 20 LEU HA H 20 4.480 3.872 0.608 1
1 127 . 9 1 1 A 21 21 THR H H 21 8.200 8.117 0.083 1
1 128 . 9 1 1 A 21 21 THR HA H 21 4.430 4.032 0.398 1
1 133 . 9 1 1 A 22 22 THR H H 22 8.140 8.239 -0.099 1
1 134 . 9 1 1 A 22 22 THR HA H 22 4.360 3.936 0.424 1
1 139 . 9 1 1 A 23 23 GLY H H 23 8.460 7.497 0.963 1
1 140 . 9 1 1 A 23 23 GLY HA2 H 23 3.940 4.002 -0.062 1
1 141 . 9 1 1 A 23 23 GLY HA3 H 23 3.940 4.008 -0.068 1
1 3 . 10 1 1 A 2 2 ILE H H 2 8.540 8.734 -0.194 1
1 4 . 10 1 1 A 2 2 ILE HA H 2 4.270 3.866 0.404 1
1 13 . 10 1 1 A 3 3 GLY H H 3 8.480 8.373 0.107 1
1 14 . 10 1 1 A 3 3 GLY HA2 H 3 3.950 3.955 -0.005 1
1 15 . 10 1 1 A 3 3 GLY HA3 H 3 3.880 3.955 -0.075 1
1 16 . 10 1 1 A 4 4 LYS H H 4 8.160 7.705 0.455 1
1 17 . 10 1 1 A 4 4 LYS HA H 4 4.330 4.204 0.126 1
1 22 . 10 1 1 A 5 5 PHE H H 5 8.260 8.250 0.010 1
1 23 . 10 1 1 A 5 5 PHE HA H 5 4.640 4.140 0.500 1
1 29 . 10 1 1 A 6 6 LEU H H 6 8.130 8.114 0.016 1
1 30 . 10 1 1 A 6 6 LEU HA H 6 4.350 3.941 0.409 1
1 38 . 10 1 1 A 7 7 LYS H H 7 8.320 7.723 0.597 1
1 39 . 10 1 1 A 7 7 LYS HA H 7 4.330 3.934 0.396 1
1 43 . 10 1 1 A 8 8 LYS H H 8 8.270 8.193 0.077 1
1 44 . 10 1 1 A 8 8 LYS HA H 8 4.250 4.120 0.130 1
1 49 . 10 1 1 A 9 9 ALA H H 9 8.360 8.221 0.139 1
1 50 . 10 1 1 A 9 9 ALA HA H 9 4.320 4.097 0.223 1
1 54 . 10 1 1 A 10 10 LYS H H 10 8.270 7.932 0.338 1
1 55 . 10 1 1 A 10 10 LYS HA H 10 4.260 3.890 0.370 1
1 59 . 10 1 1 A 11 11 LYS H H 11 8.330 7.870 0.460 1
1 60 . 10 1 1 A 11 11 LYS HA H 11 4.320 4.445 -0.125 1
1 64 . 10 1 1 A 12 12 GLY H H 12 8.490 8.090 0.400 1
1 65 . 10 1 1 A 12 12 GLY HA2 H 12 4.020 4.089 -0.069 1
1 66 . 10 1 1 A 12 12 GLY HA3 H 12 4.020 4.090 -0.070 1
1 67 . 10 1 1 A 13 13 ILE H H 13 8.110 8.640 -0.530 1
1 68 . 10 1 1 A 13 13 ILE HA H 13 4.220 4.273 -0.053 1
1 77 . 10 1 1 A 14 14 GLY H H 14 8.510 8.355 0.155 1
1 78 . 10 1 1 A 14 14 GLY HA2 H 14 3.940 3.965 -0.025 1
1 79 . 10 1 1 A 14 14 GLY HA3 H 14 3.940 3.985 -0.045 1
1 80 . 10 1 1 A 15 15 ALA H H 15 8.130 8.036 0.094 1
1 81 . 10 1 1 A 15 15 ALA HA H 15 4.330 4.017 0.313 1
1 85 . 10 1 1 A 16 16 VAL H H 16 8.170 7.979 0.191 1
1 86 . 10 1 1 A 16 16 VAL HA H 16 4.070 3.479 0.591 1
1 94 . 10 1 1 A 17 17 LEU H H 17 8.330 8.378 -0.048 1
1 95 . 10 1 1 A 17 17 LEU HA H 17 4.310 3.535 0.775 1
1 103 . 10 1 1 A 18 18 LYS H H 18 8.390 8.011 0.379 1
1 104 . 10 1 1 A 18 18 LYS HA H 18 4.300 4.000 0.300 1
1 109 . 10 1 1 A 19 19 VAL H H 19 8.200 7.452 0.748 1
1 110 . 10 1 1 A 19 19 VAL HA H 19 4.090 3.768 0.322 1
1 118 . 10 1 1 A 20 20 LEU H H 20 8.470 8.494 -0.024 1
1 119 . 10 1 1 A 20 20 LEU HA H 20 4.480 3.920 0.560 1
1 127 . 10 1 1 A 21 21 THR H H 21 8.200 7.804 0.396 1
1 128 . 10 1 1 A 21 21 THR HA H 21 4.430 4.168 0.262 1
1 133 . 10 1 1 A 22 22 THR H H 22 8.140 8.152 -0.012 1
1 134 . 10 1 1 A 22 22 THR HA H 22 4.360 4.180 0.180 1
1 139 . 10 1 1 A 23 23 GLY H H 23 8.460 7.745 0.715 1
1 140 . 10 1 1 A 23 23 GLY HA2 H 23 3.940 3.995 -0.055 1
1 141 . 10 1 1 A 23 23 GLY HA3 H 23 3.940 4.003 -0.063 1
1 3 . 11 1 1 A 2 2 ILE H H 2 8.540 8.790 -0.250 1
1 4 . 11 1 1 A 2 2 ILE HA H 2 4.270 3.838 0.432 1
1 13 . 11 1 1 A 3 3 GLY H H 3 8.480 8.368 0.112 1
1 14 . 11 1 1 A 3 3 GLY HA2 H 3 3.950 3.947 0.003 1
1 15 . 11 1 1 A 3 3 GLY HA3 H 3 3.880 3.948 -0.068 1
1 16 . 11 1 1 A 4 4 LYS H H 4 8.160 8.231 -0.071 1
1 17 . 11 1 1 A 4 4 LYS HA H 4 4.330 4.138 0.192 1
1 22 . 11 1 1 A 5 5 PHE H H 5 8.260 8.186 0.074 1
1 23 . 11 1 1 A 5 5 PHE HA H 5 4.640 4.127 0.513 1
1 29 . 11 1 1 A 6 6 LEU H H 6 8.130 8.237 -0.107 1
1 30 . 11 1 1 A 6 6 LEU HA H 6 4.350 3.887 0.463 1
1 38 . 11 1 1 A 7 7 LYS H H 7 8.320 7.712 0.608 1
1 39 . 11 1 1 A 7 7 LYS HA H 7 4.330 3.926 0.404 1
1 43 . 11 1 1 A 8 8 LYS H H 8 8.270 8.237 0.033 1
1 44 . 11 1 1 A 8 8 LYS HA H 8 4.250 4.109 0.141 1
1 49 . 11 1 1 A 9 9 ALA H H 9 8.360 8.241 0.119 1
1 50 . 11 1 1 A 9 9 ALA HA H 9 4.320 4.090 0.230 1
1 54 . 11 1 1 A 10 10 LYS H H 10 8.270 8.272 -0.002 1
1 55 . 11 1 1 A 10 10 LYS HA H 10 4.260 3.874 0.386 1
1 59 . 11 1 1 A 11 11 LYS H H 11 8.330 8.159 0.171 1
1 60 . 11 1 1 A 11 11 LYS HA H 11 4.320 4.422 -0.102 1
1 64 . 11 1 1 A 12 12 GLY H H 12 8.490 8.386 0.104 1
1 65 . 11 1 1 A 12 12 GLY HA2 H 12 4.020 3.935 0.085 1
1 66 . 11 1 1 A 12 12 GLY HA3 H 12 4.020 3.935 0.085 1
1 67 . 11 1 1 A 13 13 ILE H H 13 8.110 8.613 -0.503 1
1 68 . 11 1 1 A 13 13 ILE HA H 13 4.220 4.290 -0.070 1
1 77 . 11 1 1 A 14 14 GLY H H 14 8.510 8.384 0.126 1
1 78 . 11 1 1 A 14 14 GLY HA2 H 14 3.940 3.985 -0.045 1
1 79 . 11 1 1 A 14 14 GLY HA3 H 14 3.940 4.003 -0.063 1
1 80 . 11 1 1 A 15 15 ALA H H 15 8.130 8.050 0.080 1
1 81 . 11 1 1 A 15 15 ALA HA H 15 4.330 4.073 0.257 1
1 85 . 11 1 1 A 16 16 VAL H H 16 8.170 7.890 0.280 1
1 86 . 11 1 1 A 16 16 VAL HA H 16 4.070 3.464 0.606 1
1 94 . 11 1 1 A 17 17 LEU H H 17 8.330 8.419 -0.089 1
1 95 . 11 1 1 A 17 17 LEU HA H 17 4.310 3.453 0.857 1
1 103 . 11 1 1 A 18 18 LYS H H 18 8.390 7.992 0.398 1
1 104 . 11 1 1 A 18 18 LYS HA H 18 4.300 4.009 0.291 1
1 109 . 11 1 1 A 19 19 VAL H H 19 8.200 7.447 0.753 1
1 110 . 11 1 1 A 19 19 VAL HA H 19 4.090 3.765 0.325 1
1 118 . 11 1 1 A 20 20 LEU H H 20 8.470 8.507 -0.037 1
1 119 . 11 1 1 A 20 20 LEU HA H 20 4.480 3.915 0.565 1
1 127 . 11 1 1 A 21 21 THR H H 21 8.200 7.704 0.496 1
1 128 . 11 1 1 A 21 21 THR HA H 21 4.430 4.167 0.263 1
1 133 . 11 1 1 A 22 22 THR H H 22 8.140 8.151 -0.011 1
1 134 . 11 1 1 A 22 22 THR HA H 22 4.360 4.190 0.170 1
1 139 . 11 1 1 A 23 23 GLY H H 23 8.460 7.799 0.661 1
1 140 . 11 1 1 A 23 23 GLY HA2 H 23 3.940 3.995 -0.055 1
1 141 . 11 1 1 A 23 23 GLY HA3 H 23 3.940 4.003 -0.063 1
1 3 . 12 1 1 A 2 2 ILE H H 2 8.540 8.553 -0.013 1
1 4 . 12 1 1 A 2 2 ILE HA H 2 4.270 3.905 0.365 1
1 13 . 12 1 1 A 3 3 GLY H H 3 8.480 8.362 0.118 1
1 14 . 12 1 1 A 3 3 GLY HA2 H 3 3.950 3.955 -0.005 1
1 15 . 12 1 1 A 3 3 GLY HA3 H 3 3.880 3.957 -0.077 1
1 16 . 12 1 1 A 4 4 LYS H H 4 8.160 7.652 0.508 1
1 17 . 12 1 1 A 4 4 LYS HA H 4 4.330 4.214 0.116 1
1 22 . 12 1 1 A 5 5 PHE H H 5 8.260 8.182 0.078 1
1 23 . 12 1 1 A 5 5 PHE HA H 5 4.640 4.128 0.512 1
1 29 . 12 1 1 A 6 6 LEU H H 6 8.130 8.163 -0.033 1
1 30 . 12 1 1 A 6 6 LEU HA H 6 4.350 3.887 0.463 1
1 38 . 12 1 1 A 7 7 LYS H H 7 8.320 7.667 0.653 1
1 39 . 12 1 1 A 7 7 LYS HA H 7 4.330 3.934 0.396 1
1 43 . 12 1 1 A 8 8 LYS H H 8 8.270 8.242 0.028 1
1 44 . 12 1 1 A 8 8 LYS HA H 8 4.250 4.083 0.167 1
1 49 . 12 1 1 A 9 9 ALA H H 9 8.360 8.003 0.357 1
1 50 . 12 1 1 A 9 9 ALA HA H 9 4.320 4.103 0.217 1
1 54 . 12 1 1 A 10 10 LYS H H 10 8.270 8.158 0.112 1
1 55 . 12 1 1 A 10 10 LYS HA H 10 4.260 4.064 0.196 1
1 59 . 12 1 1 A 11 11 LYS H H 11 8.330 7.952 0.378 1
1 60 . 12 1 1 A 11 11 LYS HA H 11 4.320 4.542 -0.222 1
1 64 . 12 1 1 A 12 12 GLY H H 12 8.490 8.352 0.138 1
1 65 . 12 1 1 A 12 12 GLY HA2 H 12 4.020 3.941 0.079 1
1 66 . 12 1 1 A 12 12 GLY HA3 H 12 4.020 3.941 0.079 1
1 67 . 12 1 1 A 13 13 ILE H H 13 8.110 8.580 -0.470 1
1 68 . 12 1 1 A 13 13 ILE HA H 13 4.220 4.316 -0.096 1
1 77 . 12 1 1 A 14 14 GLY H H 14 8.510 8.360 0.150 1
1 78 . 12 1 1 A 14 14 GLY HA2 H 14 3.940 3.950 -0.010 1
1 79 . 12 1 1 A 14 14 GLY HA3 H 14 3.940 3.970 -0.030 1
1 80 . 12 1 1 A 15 15 ALA H H 15 8.130 8.051 0.079 1
1 81 . 12 1 1 A 15 15 ALA HA H 15 4.330 4.122 0.208 1
1 85 . 12 1 1 A 16 16 VAL H H 16 8.170 7.963 0.207 1
1 86 . 12 1 1 A 16 16 VAL HA H 16 4.070 3.466 0.604 1
1 94 . 12 1 1 A 17 17 LEU H H 17 8.330 8.169 0.161 1
1 95 . 12 1 1 A 17 17 LEU HA H 17 4.310 3.247 1.063 1
1 103 . 12 1 1 A 18 18 LYS H H 18 8.390 8.035 0.355 1
1 104 . 12 1 1 A 18 18 LYS HA H 18 4.300 3.940 0.360 1
1 109 . 12 1 1 A 19 19 VAL H H 19 8.200 7.408 0.792 1
1 110 . 12 1 1 A 19 19 VAL HA H 19 4.090 3.802 0.288 1
1 118 . 12 1 1 A 20 20 LEU H H 20 8.470 8.259 0.211 1
1 119 . 12 1 1 A 20 20 LEU HA H 20 4.480 3.829 0.651 1
1 127 . 12 1 1 A 21 21 THR H H 21 8.200 7.916 0.284 1
1 128 . 12 1 1 A 21 21 THR HA H 21 4.430 3.966 0.464 1
1 133 . 12 1 1 A 22 22 THR H H 22 8.140 8.260 -0.120 1
1 134 . 12 1 1 A 22 22 THR HA H 22 4.360 4.089 0.271 1
1 139 . 12 1 1 A 23 23 GLY H H 23 8.460 7.865 0.595 1
1 140 . 12 1 1 A 23 23 GLY HA2 H 23 3.940 3.981 -0.041 1
1 141 . 12 1 1 A 23 23 GLY HA3 H 23 3.940 3.989 -0.049 1
1 3 . 13 1 1 A 2 2 ILE H H 2 8.540 8.752 -0.212 1
1 4 . 13 1 1 A 2 2 ILE HA H 2 4.270 3.937 0.333 1
1 13 . 13 1 1 A 3 3 GLY H H 3 8.480 8.338 0.142 1
1 14 . 13 1 1 A 3 3 GLY HA2 H 3 3.950 3.934 0.016 1
1 15 . 13 1 1 A 3 3 GLY HA3 H 3 3.880 3.940 -0.060 1
1 16 . 13 1 1 A 4 4 LYS H H 4 8.160 8.005 0.155 1
1 17 . 13 1 1 A 4 4 LYS HA H 4 4.330 4.161 0.169 1
1 22 . 13 1 1 A 5 5 PHE H H 5 8.260 8.103 0.157 1
1 23 . 13 1 1 A 5 5 PHE HA H 5 4.640 4.207 0.433 1
1 29 . 13 1 1 A 6 6 LEU H H 6 8.130 8.198 -0.068 1
1 30 . 13 1 1 A 6 6 LEU HA H 6 4.350 4.084 0.266 1
1 38 . 13 1 1 A 7 7 LYS H H 7 8.320 8.109 0.211 1
1 39 . 13 1 1 A 7 7 LYS HA H 7 4.330 3.935 0.395 1
1 43 . 13 1 1 A 8 8 LYS H H 8 8.270 8.070 0.200 1
1 44 . 13 1 1 A 8 8 LYS HA H 8 4.250 4.081 0.169 1
1 49 . 13 1 1 A 9 9 ALA H H 9 8.360 8.773 -0.413 1
1 50 . 13 1 1 A 9 9 ALA HA H 9 4.320 4.156 0.164 1
1 54 . 13 1 1 A 10 10 LYS H H 10 8.270 7.941 0.329 1
1 55 . 13 1 1 A 10 10 LYS HA H 10 4.260 4.103 0.157 1
1 59 . 13 1 1 A 11 11 LYS H H 11 8.330 7.851 0.479 1
1 60 . 13 1 1 A 11 11 LYS HA H 11 4.320 4.532 -0.212 1
1 64 . 13 1 1 A 12 12 GLY H H 12 8.490 8.036 0.454 1
1 65 . 13 1 1 A 12 12 GLY HA2 H 12 4.020 4.072 -0.052 1
1 66 . 13 1 1 A 12 12 GLY HA3 H 12 4.020 4.076 -0.056 1
1 67 . 13 1 1 A 13 13 ILE H H 13 8.110 8.408 -0.298 1
1 68 . 13 1 1 A 13 13 ILE HA H 13 4.220 4.247 -0.027 1
1 77 . 13 1 1 A 14 14 GLY H H 14 8.510 8.456 0.054 1
1 78 . 13 1 1 A 14 14 GLY HA2 H 14 3.940 3.993 -0.053 1
1 79 . 13 1 1 A 14 14 GLY HA3 H 14 3.940 4.009 -0.069 1
1 80 . 13 1 1 A 15 15 ALA H H 15 8.130 7.419 0.711 1
1 81 . 13 1 1 A 15 15 ALA HA H 15 4.330 4.362 -0.032 1
1 85 . 13 1 1 A 16 16 VAL H H 16 8.170 7.823 0.347 1
1 86 . 13 1 1 A 16 16 VAL HA H 16 4.070 3.408 0.662 1
1 94 . 13 1 1 A 17 17 LEU H H 17 8.330 8.079 0.251 1
1 95 . 13 1 1 A 17 17 LEU HA H 17 4.310 3.952 0.358 1
1 103 . 13 1 1 A 18 18 LYS H H 18 8.390 7.876 0.514 1
1 104 . 13 1 1 A 18 18 LYS HA H 18 4.300 4.034 0.266 1
1 109 . 13 1 1 A 19 19 VAL H H 19 8.200 7.454 0.746 1
1 110 . 13 1 1 A 19 19 VAL HA H 19 4.090 3.779 0.311 1
1 118 . 13 1 1 A 20 20 LEU H H 20 8.470 8.516 -0.046 1
1 119 . 13 1 1 A 20 20 LEU HA H 20 4.480 3.934 0.546 1
1 127 . 13 1 1 A 21 21 THR H H 21 8.200 7.736 0.464 1
1 128 . 13 1 1 A 21 21 THR HA H 21 4.430 4.233 0.197 1
1 133 . 13 1 1 A 22 22 THR H H 22 8.140 8.255 -0.115 1
1 134 . 13 1 1 A 22 22 THR HA H 22 4.360 4.258 0.102 1
1 139 . 13 1 1 A 23 23 GLY H H 23 8.460 7.314 1.146 1
1 140 . 13 1 1 A 23 23 GLY HA2 H 23 3.940 4.002 -0.062 1
1 141 . 13 1 1 A 23 23 GLY HA3 H 23 3.940 4.007 -0.067 1
1 3 . 14 1 1 A 2 2 ILE H H 2 8.540 8.672 -0.132 1
1 4 . 14 1 1 A 2 2 ILE HA H 2 4.270 3.892 0.378 1
1 13 . 14 1 1 A 3 3 GLY H H 3 8.480 8.368 0.112 1
1 14 . 14 1 1 A 3 3 GLY HA2 H 3 3.950 3.934 0.016 1
1 15 . 14 1 1 A 3 3 GLY HA3 H 3 3.880 3.935 -0.055 1
1 16 . 14 1 1 A 4 4 LYS H H 4 8.160 8.142 0.018 1
1 17 . 14 1 1 A 4 4 LYS HA H 4 4.330 4.172 0.158 1
1 22 . 14 1 1 A 5 5 PHE H H 5 8.260 8.243 0.017 1
1 23 . 14 1 1 A 5 5 PHE HA H 5 4.640 4.139 0.501 1
1 29 . 14 1 1 A 6 6 LEU H H 6 8.130 8.171 -0.041 1
1 30 . 14 1 1 A 6 6 LEU HA H 6 4.350 4.004 0.346 1
1 38 . 14 1 1 A 7 7 LYS H H 7 8.320 7.679 0.641 1
1 39 . 14 1 1 A 7 7 LYS HA H 7 4.330 3.937 0.393 1
1 43 . 14 1 1 A 8 8 LYS H H 8 8.270 8.272 -0.002 1
1 44 . 14 1 1 A 8 8 LYS HA H 8 4.250 4.105 0.145 1
1 49 . 14 1 1 A 9 9 ALA H H 9 8.360 8.293 0.067 1
1 50 . 14 1 1 A 9 9 ALA HA H 9 4.320 4.131 0.189 1
1 54 . 14 1 1 A 10 10 LYS H H 10 8.270 7.703 0.567 1
1 55 . 14 1 1 A 10 10 LYS HA H 10 4.260 4.179 0.081 1
1 59 . 14 1 1 A 11 11 LYS H H 11 8.330 7.609 0.721 1
1 60 . 14 1 1 A 11 11 LYS HA H 11 4.320 4.324 -0.004 1
1 64 . 14 1 1 A 12 12 GLY H H 12 8.490 8.080 0.410 1
1 65 . 14 1 1 A 12 12 GLY HA2 H 12 4.020 4.108 -0.088 1
1 66 . 14 1 1 A 12 12 GLY HA3 H 12 4.020 4.110 -0.090 1
1 67 . 14 1 1 A 13 13 ILE H H 13 8.110 8.451 -0.341 1
1 68 . 14 1 1 A 13 13 ILE HA H 13 4.220 4.227 -0.007 1
1 77 . 14 1 1 A 14 14 GLY H H 14 8.510 8.418 0.092 1
1 78 . 14 1 1 A 14 14 GLY HA2 H 14 3.940 4.002 -0.062 1
1 79 . 14 1 1 A 14 14 GLY HA3 H 14 3.940 4.016 -0.076 1
1 80 . 14 1 1 A 15 15 ALA H H 15 8.130 7.469 0.661 1
1 81 . 14 1 1 A 15 15 ALA HA H 15 4.330 4.373 -0.043 1
1 85 . 14 1 1 A 16 16 VAL H H 16 8.170 7.865 0.305 1
1 86 . 14 1 1 A 16 16 VAL HA H 16 4.070 3.478 0.592 1
1 94 . 14 1 1 A 17 17 LEU H H 17 8.330 8.431 -0.101 1
1 95 . 14 1 1 A 17 17 LEU HA H 17 4.310 3.662 0.648 1
1 103 . 14 1 1 A 18 18 LYS H H 18 8.390 7.921 0.469 1
1 104 . 14 1 1 A 18 18 LYS HA H 18 4.300 4.000 0.300 1
1 109 . 14 1 1 A 19 19 VAL H H 19 8.200 7.445 0.755 1
1 110 . 14 1 1 A 19 19 VAL HA H 19 4.090 3.769 0.321 1
1 118 . 14 1 1 A 20 20 LEU H H 20 8.470 8.339 0.131 1
1 119 . 14 1 1 A 20 20 LEU HA H 20 4.480 3.916 0.564 1
1 127 . 14 1 1 A 21 21 THR H H 21 8.200 7.813 0.387 1
1 128 . 14 1 1 A 21 21 THR HA H 21 4.430 4.179 0.251 1
1 133 . 14 1 1 A 22 22 THR H H 22 8.140 8.176 -0.036 1
1 134 . 14 1 1 A 22 22 THR HA H 22 4.360 4.180 0.180 1
1 139 . 14 1 1 A 23 23 GLY H H 23 8.460 7.829 0.631 1
1 140 . 14 1 1 A 23 23 GLY HA2 H 23 3.940 4.010 -0.070 1
1 141 . 14 1 1 A 23 23 GLY HA3 H 23 3.940 4.017 -0.077 1
1 3 . 15 1 1 A 2 2 ILE H H 2 8.540 8.011 0.529 1
1 4 . 15 1 1 A 2 2 ILE HA H 2 4.270 3.988 0.282 1
1 13 . 15 1 1 A 3 3 GLY H H 3 8.480 8.337 0.143 1
1 14 . 15 1 1 A 3 3 GLY HA2 H 3 3.950 3.934 0.016 1
1 15 . 15 1 1 A 3 3 GLY HA3 H 3 3.880 3.939 -0.059 1
1 16 . 15 1 1 A 4 4 LYS H H 4 8.160 8.011 0.149 1
1 17 . 15 1 1 A 4 4 LYS HA H 4 4.330 4.152 0.178 1
1 22 . 15 1 1 A 5 5 PHE H H 5 8.260 7.980 0.280 1
1 23 . 15 1 1 A 5 5 PHE HA H 5 4.640 4.168 0.472 1
1 29 . 15 1 1 A 6 6 LEU H H 6 8.130 8.090 0.040 1
1 30 . 15 1 1 A 6 6 LEU HA H 6 4.350 4.023 0.327 1
1 38 . 15 1 1 A 7 7 LYS H H 7 8.320 8.138 0.182 1
1 39 . 15 1 1 A 7 7 LYS HA H 7 4.330 3.931 0.399 1
1 43 . 15 1 1 A 8 8 LYS H H 8 8.270 8.124 0.146 1
1 44 . 15 1 1 A 8 8 LYS HA H 8 4.250 4.141 0.109 1
1 49 . 15 1 1 A 9 9 ALA H H 9 8.360 8.552 -0.192 1
1 50 . 15 1 1 A 9 9 ALA HA H 9 4.320 4.158 0.162 1
1 54 . 15 1 1 A 10 10 LYS H H 10 8.270 7.916 0.354 1
1 55 . 15 1 1 A 10 10 LYS HA H 10 4.260 4.195 0.065 1
1 59 . 15 1 1 A 11 11 LYS H H 11 8.330 7.747 0.583 1
1 60 . 15 1 1 A 11 11 LYS HA H 11 4.320 4.393 -0.073 1
1 64 . 15 1 1 A 12 12 GLY H H 12 8.490 8.022 0.468 1
1 65 . 15 1 1 A 12 12 GLY HA2 H 12 4.020 4.063 -0.043 1
1 66 . 15 1 1 A 12 12 GLY HA3 H 12 4.020 4.066 -0.046 1
1 67 . 15 1 1 A 13 13 ILE H H 13 8.110 8.598 -0.488 1
1 68 . 15 1 1 A 13 13 ILE HA H 13 4.220 4.196 0.024 1
1 77 . 15 1 1 A 14 14 GLY H H 14 8.510 8.399 0.111 1
1 78 . 15 1 1 A 14 14 GLY HA2 H 14 3.940 4.000 -0.060 1
1 79 . 15 1 1 A 14 14 GLY HA3 H 14 3.940 4.016 -0.076 1
1 80 . 15 1 1 A 15 15 ALA H H 15 8.130 7.920 0.210 1
1 81 . 15 1 1 A 15 15 ALA HA H 15 4.330 4.282 0.048 1
1 85 . 15 1 1 A 16 16 VAL H H 16 8.170 7.885 0.285 1
1 86 . 15 1 1 A 16 16 VAL HA H 16 4.070 3.398 0.672 1
1 94 . 15 1 1 A 17 17 LEU H H 17 8.330 8.140 0.190 1
1 95 . 15 1 1 A 17 17 LEU HA H 17 4.310 3.906 0.404 1
1 103 . 15 1 1 A 18 18 LYS H H 18 8.390 7.839 0.551 1
1 104 . 15 1 1 A 18 18 LYS HA H 18 4.300 4.048 0.252 1
1 109 . 15 1 1 A 19 19 VAL H H 19 8.200 7.471 0.729 1
1 110 . 15 1 1 A 19 19 VAL HA H 19 4.090 3.764 0.326 1
1 118 . 15 1 1 A 20 20 LEU H H 20 8.470 8.531 -0.061 1
1 119 . 15 1 1 A 20 20 LEU HA H 20 4.480 3.924 0.556 1
1 127 . 15 1 1 A 21 21 THR H H 21 8.200 7.729 0.471 1
1 128 . 15 1 1 A 21 21 THR HA H 21 4.430 4.229 0.201 1
1 133 . 15 1 1 A 22 22 THR H H 22 8.140 8.243 -0.103 1
1 134 . 15 1 1 A 22 22 THR HA H 22 4.360 4.254 0.106 1
1 139 . 15 1 1 A 23 23 GLY H H 23 8.460 7.308 1.152 1
1 140 . 15 1 1 A 23 23 GLY HA2 H 23 3.940 4.001 -0.061 1
1 141 . 15 1 1 A 23 23 GLY HA3 H 23 3.940 4.007 -0.067 1
1 3 . 16 1 1 A 2 2 ILE H H 2 8.540 8.561 -0.021 1
1 4 . 16 1 1 A 2 2 ILE HA H 2 4.270 3.956 0.314 1
1 13 . 16 1 1 A 3 3 GLY H H 3 8.480 8.369 0.111 1
1 14 . 16 1 1 A 3 3 GLY HA2 H 3 3.950 3.933 0.017 1
1 15 . 16 1 1 A 3 3 GLY HA3 H 3 3.880 3.934 -0.054 1
1 16 . 16 1 1 A 4 4 LYS H H 4 8.160 8.147 0.013 1
1 17 . 16 1 1 A 4 4 LYS HA H 4 4.330 4.173 0.157 1
1 22 . 16 1 1 A 5 5 PHE H H 5 8.260 8.234 0.026 1
1 23 . 16 1 1 A 5 5 PHE HA H 5 4.640 4.138 0.502 1
1 29 . 16 1 1 A 6 6 LEU H H 6 8.130 8.177 -0.047 1
1 30 . 16 1 1 A 6 6 LEU HA H 6 4.350 3.994 0.356 1
1 38 . 16 1 1 A 7 7 LYS H H 7 8.320 7.853 0.467 1
1 39 . 16 1 1 A 7 7 LYS HA H 7 4.330 4.012 0.318 1
1 43 . 16 1 1 A 8 8 LYS H H 8 8.270 8.277 -0.007 1
1 44 . 16 1 1 A 8 8 LYS HA H 8 4.250 4.094 0.156 1
1 49 . 16 1 1 A 9 9 ALA H H 9 8.360 8.287 0.073 1
1 50 . 16 1 1 A 9 9 ALA HA H 9 4.320 4.125 0.195 1
1 54 . 16 1 1 A 10 10 LYS H H 10 8.270 7.725 0.545 1
1 55 . 16 1 1 A 10 10 LYS HA H 10 4.260 4.141 0.119 1
1 59 . 16 1 1 A 11 11 LYS H H 11 8.330 7.683 0.647 1
1 60 . 16 1 1 A 11 11 LYS HA H 11 4.320 4.343 -0.023 1
1 64 . 16 1 1 A 12 12 GLY H H 12 8.490 8.079 0.411 1
1 65 . 16 1 1 A 12 12 GLY HA2 H 12 4.020 4.093 -0.073 1
1 66 . 16 1 1 A 12 12 GLY HA3 H 12 4.020 4.094 -0.074 1
1 67 . 16 1 1 A 13 13 ILE H H 13 8.110 8.476 -0.366 1
1 68 . 16 1 1 A 13 13 ILE HA H 13 4.220 4.208 0.012 1
1 77 . 16 1 1 A 14 14 GLY H H 14 8.510 8.363 0.147 1
1 78 . 16 1 1 A 14 14 GLY HA2 H 14 3.940 3.995 -0.055 1
1 79 . 16 1 1 A 14 14 GLY HA3 H 14 3.940 4.012 -0.072 1
1 80 . 16 1 1 A 15 15 ALA H H 15 8.130 7.866 0.264 1
1 81 . 16 1 1 A 15 15 ALA HA H 15 4.330 4.289 0.041 1
1 85 . 16 1 1 A 16 16 VAL H H 16 8.170 7.904 0.266 1
1 86 . 16 1 1 A 16 16 VAL HA H 16 4.070 3.473 0.597 1
1 94 . 16 1 1 A 17 17 LEU H H 17 8.330 8.473 -0.143 1
1 95 . 16 1 1 A 17 17 LEU HA H 17 4.310 3.609 0.701 1
1 103 . 16 1 1 A 18 18 LYS H H 18 8.390 7.956 0.434 1
1 104 . 16 1 1 A 18 18 LYS HA H 18 4.300 3.993 0.307 1
1 109 . 16 1 1 A 19 19 VAL H H 19 8.200 7.436 0.764 1
1 110 . 16 1 1 A 19 19 VAL HA H 19 4.090 3.767 0.323 1
1 118 . 16 1 1 A 20 20 LEU H H 20 8.470 8.489 -0.019 1
1 119 . 16 1 1 A 20 20 LEU HA H 20 4.480 3.838 0.642 1
1 127 . 16 1 1 A 21 21 THR H H 21 8.200 7.909 0.291 1
1 128 . 16 1 1 A 21 21 THR HA H 21 4.430 3.980 0.450 1
1 133 . 16 1 1 A 22 22 THR H H 22 8.140 8.322 -0.182 1
1 134 . 16 1 1 A 22 22 THR HA H 22 4.360 4.122 0.238 1
1 139 . 16 1 1 A 23 23 GLY H H 23 8.460 7.878 0.582 1
1 140 . 16 1 1 A 23 23 GLY HA2 H 23 3.940 3.997 -0.057 1
1 141 . 16 1 1 A 23 23 GLY HA3 H 23 3.940 4.005 -0.065 1
1 3 . 17 1 1 A 2 2 ILE H H 2 8.540 8.771 -0.231 1
1 4 . 17 1 1 A 2 2 ILE HA H 2 4.270 3.942 0.328 1
1 13 . 17 1 1 A 3 3 GLY H H 3 8.480 8.337 0.143 1
1 14 . 17 1 1 A 3 3 GLY HA2 H 3 3.950 3.934 0.016 1
1 15 . 17 1 1 A 3 3 GLY HA3 H 3 3.880 3.939 -0.059 1
1 16 . 17 1 1 A 4 4 LYS H H 4 8.160 8.012 0.148 1
1 17 . 17 1 1 A 4 4 LYS HA H 4 4.330 4.128 0.202 1
1 22 . 17 1 1 A 5 5 PHE H H 5 8.260 8.005 0.255 1
1 23 . 17 1 1 A 5 5 PHE HA H 5 4.640 4.154 0.486 1
1 29 . 17 1 1 A 6 6 LEU H H 6 8.130 8.099 0.031 1
1 30 . 17 1 1 A 6 6 LEU HA H 6 4.350 4.028 0.322 1
1 38 . 17 1 1 A 7 7 LYS H H 7 8.320 8.053 0.267 1
1 39 . 17 1 1 A 7 7 LYS HA H 7 4.330 3.973 0.357 1
1 43 . 17 1 1 A 8 8 LYS H H 8 8.270 8.076 0.194 1
1 44 . 17 1 1 A 8 8 LYS HA H 8 4.250 4.160 0.090 1
1 49 . 17 1 1 A 9 9 ALA H H 9 8.360 8.653 -0.293 1
1 50 . 17 1 1 A 9 9 ALA HA H 9 4.320 4.146 0.174 1
1 54 . 17 1 1 A 10 10 LYS H H 10 8.270 7.864 0.406 1
1 55 . 17 1 1 A 10 10 LYS HA H 10 4.260 4.212 0.048 1
1 59 . 17 1 1 A 11 11 LYS H H 11 8.330 7.589 0.741 1
1 60 . 17 1 1 A 11 11 LYS HA H 11 4.320 4.532 -0.212 1
1 64 . 17 1 1 A 12 12 GLY H H 12 8.490 8.154 0.336 1
1 65 . 17 1 1 A 12 12 GLY HA2 H 12 4.020 4.008 0.012 1
1 66 . 17 1 1 A 12 12 GLY HA3 H 12 4.020 4.010 0.010 1
1 67 . 17 1 1 A 13 13 ILE H H 13 8.110 8.637 -0.527 1
1 68 . 17 1 1 A 13 13 ILE HA H 13 4.220 4.285 -0.065 1
1 77 . 17 1 1 A 14 14 GLY H H 14 8.510 8.349 0.161 1
1 78 . 17 1 1 A 14 14 GLY HA2 H 14 3.940 4.002 -0.062 1
1 79 . 17 1 1 A 14 14 GLY HA3 H 14 3.940 4.020 -0.080 1
1 80 . 17 1 1 A 15 15 ALA H H 15 8.130 7.920 0.210 1
1 81 . 17 1 1 A 15 15 ALA HA H 15 4.330 4.285 0.045 1
1 85 . 17 1 1 A 16 16 VAL H H 16 8.170 7.891 0.279 1
1 86 . 17 1 1 A 16 16 VAL HA H 16 4.070 3.399 0.671 1
1 94 . 17 1 1 A 17 17 LEU H H 17 8.330 8.114 0.216 1
1 95 . 17 1 1 A 17 17 LEU HA H 17 4.310 3.846 0.464 1
1 103 . 17 1 1 A 18 18 LYS H H 18 8.390 7.928 0.462 1
1 104 . 17 1 1 A 18 18 LYS HA H 18 4.300 4.000 0.300 1
1 109 . 17 1 1 A 19 19 VAL H H 19 8.200 7.474 0.726 1
1 110 . 17 1 1 A 19 19 VAL HA H 19 4.090 3.773 0.317 1
1 118 . 17 1 1 A 20 20 LEU H H 20 8.470 8.580 -0.110 1
1 119 . 17 1 1 A 20 20 LEU HA H 20 4.480 3.917 0.563 1
1 127 . 17 1 1 A 21 21 THR H H 21 8.200 7.741 0.459 1
1 128 . 17 1 1 A 21 21 THR HA H 21 4.430 4.196 0.234 1
1 133 . 17 1 1 A 22 22 THR H H 22 8.140 8.102 0.038 1
1 134 . 17 1 1 A 22 22 THR HA H 22 4.360 4.191 0.169 1
1 139 . 17 1 1 A 23 23 GLY H H 23 8.460 7.329 1.131 1
1 140 . 17 1 1 A 23 23 GLY HA2 H 23 3.940 4.003 -0.063 1
1 141 . 17 1 1 A 23 23 GLY HA3 H 23 3.940 4.009 -0.069 1
1 3 . 18 1 1 A 2 2 ILE H H 2 8.540 8.843 -0.303 1
1 4 . 18 1 1 A 2 2 ILE HA H 2 4.270 3.847 0.423 1
1 13 . 18 1 1 A 3 3 GLY H H 3 8.480 8.368 0.112 1
1 14 . 18 1 1 A 3 3 GLY HA2 H 3 3.950 3.934 0.016 1
1 15 . 18 1 1 A 3 3 GLY HA3 H 3 3.880 3.935 -0.055 1
1 16 . 18 1 1 A 4 4 LYS H H 4 8.160 8.141 0.019 1
1 17 . 18 1 1 A 4 4 LYS HA H 4 4.330 4.157 0.173 1
1 22 . 18 1 1 A 5 5 PHE H H 5 8.260 8.259 0.001 1
1 23 . 18 1 1 A 5 5 PHE HA H 5 4.640 4.139 0.501 1
1 29 . 18 1 1 A 6 6 LEU H H 6 8.130 8.170 -0.040 1
1 30 . 18 1 1 A 6 6 LEU HA H 6 4.350 4.003 0.347 1
1 38 . 18 1 1 A 7 7 LYS H H 7 8.320 7.680 0.640 1
1 39 . 18 1 1 A 7 7 LYS HA H 7 4.330 3.937 0.393 1
1 43 . 18 1 1 A 8 8 LYS H H 8 8.270 8.267 0.003 1
1 44 . 18 1 1 A 8 8 LYS HA H 8 4.250 4.105 0.145 1
1 49 . 18 1 1 A 9 9 ALA H H 9 8.360 8.283 0.077 1
1 50 . 18 1 1 A 9 9 ALA HA H 9 4.320 4.121 0.199 1
1 54 . 18 1 1 A 10 10 LYS H H 10 8.270 7.704 0.566 1
1 55 . 18 1 1 A 10 10 LYS HA H 10 4.260 4.181 0.079 1
1 59 . 18 1 1 A 11 11 LYS H H 11 8.330 7.791 0.539 1
1 60 . 18 1 1 A 11 11 LYS HA H 11 4.320 4.264 0.056 1
1 64 . 18 1 1 A 12 12 GLY H H 12 8.490 8.081 0.409 1
1 65 . 18 1 1 A 12 12 GLY HA2 H 12 4.020 4.109 -0.089 1
1 66 . 18 1 1 A 12 12 GLY HA3 H 12 4.020 4.110 -0.090 1
1 67 . 18 1 1 A 13 13 ILE H H 13 8.110 8.473 -0.363 1
1 68 . 18 1 1 A 13 13 ILE HA H 13 4.220 4.222 -0.002 1
1 77 . 18 1 1 A 14 14 GLY H H 14 8.510 8.416 0.094 1
1 78 . 18 1 1 A 14 14 GLY HA2 H 14 3.940 4.003 -0.063 1
1 79 . 18 1 1 A 14 14 GLY HA3 H 14 3.940 4.018 -0.078 1
1 80 . 18 1 1 A 15 15 ALA H H 15 8.130 7.825 0.305 1
1 81 . 18 1 1 A 15 15 ALA HA H 15 4.330 4.395 -0.065 1
1 85 . 18 1 1 A 16 16 VAL H H 16 8.170 7.865 0.305 1
1 86 . 18 1 1 A 16 16 VAL HA H 16 4.070 3.481 0.589 1
1 94 . 18 1 1 A 17 17 LEU H H 17 8.330 8.389 -0.059 1
1 95 . 18 1 1 A 17 17 LEU HA H 17 4.310 3.654 0.656 1
1 103 . 18 1 1 A 18 18 LYS H H 18 8.390 7.935 0.455 1
1 104 . 18 1 1 A 18 18 LYS HA H 18 4.300 3.993 0.307 1
1 109 . 18 1 1 A 19 19 VAL H H 19 8.200 7.423 0.777 1
1 110 . 18 1 1 A 19 19 VAL HA H 19 4.090 3.769 0.321 1
1 118 . 18 1 1 A 20 20 LEU H H 20 8.470 8.336 0.134 1
1 119 . 18 1 1 A 20 20 LEU HA H 20 4.480 3.917 0.563 1
1 127 . 18 1 1 A 21 21 THR H H 21 8.200 7.738 0.462 1
1 128 . 18 1 1 A 21 21 THR HA H 21 4.430 4.180 0.250 1
1 133 . 18 1 1 A 22 22 THR H H 22 8.140 8.162 -0.022 1
1 134 . 18 1 1 A 22 22 THR HA H 22 4.360 4.159 0.201 1
1 139 . 18 1 1 A 23 23 GLY H H 23 8.460 7.263 1.197 1
1 140 . 18 1 1 A 23 23 GLY HA2 H 23 3.940 3.991 -0.051 1
1 141 . 18 1 1 A 23 23 GLY HA3 H 23 3.940 3.999 -0.059 1
1 3 . 19 1 1 A 2 2 ILE H H 2 8.540 8.571 -0.031 1
1 4 . 19 1 1 A 2 2 ILE HA H 2 4.270 3.983 0.287 1
1 13 . 19 1 1 A 3 3 GLY H H 3 8.480 8.338 0.142 1
1 14 . 19 1 1 A 3 3 GLY HA2 H 3 3.950 3.934 0.016 1
1 15 . 19 1 1 A 3 3 GLY HA3 H 3 3.880 3.940 -0.060 1
1 16 . 19 1 1 A 4 4 LYS H H 4 8.160 8.013 0.147 1
1 17 . 19 1 1 A 4 4 LYS HA H 4 4.330 4.150 0.180 1
1 22 . 19 1 1 A 5 5 PHE H H 5 8.260 8.042 0.218 1
1 23 . 19 1 1 A 5 5 PHE HA H 5 4.640 4.200 0.440 1
1 29 . 19 1 1 A 6 6 LEU H H 6 8.130 8.144 -0.014 1
1 30 . 19 1 1 A 6 6 LEU HA H 6 4.350 4.027 0.323 1
1 38 . 19 1 1 A 7 7 LYS H H 7 8.320 8.091 0.229 1
1 39 . 19 1 1 A 7 7 LYS HA H 7 4.330 3.955 0.375 1
1 43 . 19 1 1 A 8 8 LYS H H 8 8.270 8.138 0.132 1
1 44 . 19 1 1 A 8 8 LYS HA H 8 4.250 4.126 0.124 1
1 49 . 19 1 1 A 9 9 ALA H H 9 8.360 8.740 -0.380 1
1 50 . 19 1 1 A 9 9 ALA HA H 9 4.320 4.147 0.173 1
1 54 . 19 1 1 A 10 10 LYS H H 10 8.270 7.880 0.390 1
1 55 . 19 1 1 A 10 10 LYS HA H 10 4.260 4.208 0.052 1
1 59 . 19 1 1 A 11 11 LYS H H 11 8.330 7.881 0.449 1
1 60 . 19 1 1 A 11 11 LYS HA H 11 4.320 4.432 -0.112 1
1 64 . 19 1 1 A 12 12 GLY H H 12 8.490 7.996 0.494 1
1 65 . 19 1 1 A 12 12 GLY HA2 H 12 4.020 4.012 0.008 1
1 66 . 19 1 1 A 12 12 GLY HA3 H 12 4.020 4.015 0.005 1
1 67 . 19 1 1 A 13 13 ILE H H 13 8.110 8.602 -0.492 1
1 68 . 19 1 1 A 13 13 ILE HA H 13 4.220 4.242 -0.022 1
1 77 . 19 1 1 A 14 14 GLY H H 14 8.510 8.399 0.111 1
1 78 . 19 1 1 A 14 14 GLY HA2 H 14 3.940 4.002 -0.062 1
1 79 . 19 1 1 A 14 14 GLY HA3 H 14 3.940 4.020 -0.080 1
1 80 . 19 1 1 A 15 15 ALA H H 15 8.130 7.918 0.212 1
1 81 . 19 1 1 A 15 15 ALA HA H 15 4.330 4.283 0.047 1
1 85 . 19 1 1 A 16 16 VAL H H 16 8.170 7.858 0.312 1
1 86 . 19 1 1 A 16 16 VAL HA H 16 4.070 3.395 0.675 1
1 94 . 19 1 1 A 17 17 LEU H H 17 8.330 7.787 0.543 1
1 95 . 19 1 1 A 17 17 LEU HA H 17 4.310 3.875 0.435 1
1 103 . 19 1 1 A 18 18 LYS H H 18 8.390 7.904 0.486 1
1 104 . 19 1 1 A 18 18 LYS HA H 18 4.300 3.991 0.309 1
1 109 . 19 1 1 A 19 19 VAL H H 19 8.200 7.456 0.744 1
1 110 . 19 1 1 A 19 19 VAL HA H 19 4.090 3.775 0.315 1
1 118 . 19 1 1 A 20 20 LEU H H 20 8.470 8.588 -0.118 1
1 119 . 19 1 1 A 20 20 LEU HA H 20 4.480 3.926 0.554 1
1 127 . 19 1 1 A 21 21 THR H H 21 8.200 7.748 0.452 1
1 128 . 19 1 1 A 21 21 THR HA H 21 4.430 4.200 0.230 1
1 133 . 19 1 1 A 22 22 THR H H 22 8.140 8.221 -0.081 1
1 134 . 19 1 1 A 22 22 THR HA H 22 4.360 4.189 0.171 1
1 139 . 19 1 1 A 23 23 GLY H H 23 8.460 7.348 1.112 1
1 140 . 19 1 1 A 23 23 GLY HA2 H 23 3.940 4.011 -0.071 1
1 141 . 19 1 1 A 23 23 GLY HA3 H 23 3.940 4.016 -0.076 1
1 3 . 20 1 1 A 2 2 ILE H H 2 8.540 8.362 0.178 1
1 4 . 20 1 1 A 2 2 ILE HA H 2 4.270 4.008 0.262 1
1 13 . 20 1 1 A 3 3 GLY H H 3 8.480 8.336 0.144 1
1 14 . 20 1 1 A 3 3 GLY HA2 H 3 3.950 3.934 0.016 1
1 15 . 20 1 1 A 3 3 GLY HA3 H 3 3.880 3.941 -0.061 1
1 16 . 20 1 1 A 4 4 LYS H H 4 8.160 8.009 0.151 1
1 17 . 20 1 1 A 4 4 LYS HA H 4 4.330 4.145 0.185 1
1 22 . 20 1 1 A 5 5 PHE H H 5 8.260 8.008 0.252 1
1 23 . 20 1 1 A 5 5 PHE HA H 5 4.640 4.202 0.438 1
1 29 . 20 1 1 A 6 6 LEU H H 6 8.130 8.179 -0.049 1
1 30 . 20 1 1 A 6 6 LEU HA H 6 4.350 4.073 0.277 1
1 38 . 20 1 1 A 7 7 LYS H H 7 8.320 8.090 0.230 1
1 39 . 20 1 1 A 7 7 LYS HA H 7 4.330 3.964 0.366 1
1 43 . 20 1 1 A 8 8 LYS H H 8 8.270 8.020 0.250 1
1 44 . 20 1 1 A 8 8 LYS HA H 8 4.250 4.190 0.060 1
1 49 . 20 1 1 A 9 9 ALA H H 9 8.360 8.791 -0.431 1
1 50 . 20 1 1 A 9 9 ALA HA H 9 4.320 4.154 0.166 1
1 54 . 20 1 1 A 10 10 LYS H H 10 8.270 7.936 0.334 1
1 55 . 20 1 1 A 10 10 LYS HA H 10 4.260 4.208 0.052 1
1 59 . 20 1 1 A 11 11 LYS H H 11 8.330 7.769 0.561 1
1 60 . 20 1 1 A 11 11 LYS HA H 11 4.320 4.433 -0.113 1
1 64 . 20 1 1 A 12 12 GLY H H 12 8.490 8.043 0.447 1
1 65 . 20 1 1 A 12 12 GLY HA2 H 12 4.020 4.009 0.011 1
1 66 . 20 1 1 A 12 12 GLY HA3 H 12 4.020 4.012 0.008 1
1 67 . 20 1 1 A 13 13 ILE H H 13 8.110 8.605 -0.495 1
1 68 . 20 1 1 A 13 13 ILE HA H 13 4.220 4.246 -0.026 1
1 77 . 20 1 1 A 14 14 GLY H H 14 8.510 8.393 0.117 1
1 78 . 20 1 1 A 14 14 GLY HA2 H 14 3.940 3.990 -0.050 1
1 79 . 20 1 1 A 14 14 GLY HA3 H 14 3.940 4.008 -0.068 1
1 80 . 20 1 1 A 15 15 ALA H H 15 8.130 8.034 0.096 1
1 81 . 20 1 1 A 15 15 ALA HA H 15 4.330 4.167 0.163 1
1 85 . 20 1 1 A 16 16 VAL H H 16 8.170 7.879 0.291 1
1 86 . 20 1 1 A 16 16 VAL HA H 16 4.070 3.377 0.693 1
1 94 . 20 1 1 A 17 17 LEU H H 17 8.330 8.039 0.291 1
1 95 . 20 1 1 A 17 17 LEU HA H 17 4.310 3.936 0.374 1
1 103 . 20 1 1 A 18 18 LYS H H 18 8.390 7.911 0.479 1
1 104 . 20 1 1 A 18 18 LYS HA H 18 4.300 4.002 0.298 1
1 109 . 20 1 1 A 19 19 VAL H H 19 8.200 7.516 0.684 1
1 110 . 20 1 1 A 19 19 VAL HA H 19 4.090 3.765 0.325 1
1 118 . 20 1 1 A 20 20 LEU H H 20 8.470 8.595 -0.125 1
1 119 . 20 1 1 A 20 20 LEU HA H 20 4.480 3.928 0.552 1
1 127 . 20 1 1 A 21 21 THR H H 21 8.200 7.744 0.456 1
1 128 . 20 1 1 A 21 21 THR HA H 21 4.430 4.204 0.226 1
1 133 . 20 1 1 A 22 22 THR H H 22 8.140 8.237 -0.097 1
1 134 . 20 1 1 A 22 22 THR HA H 22 4.360 4.207 0.153 1
1 139 . 20 1 1 A 23 23 GLY H H 23 8.460 7.814 0.646 1
1 140 . 20 1 1 A 23 23 GLY HA2 H 23 3.940 4.004 -0.064 1
1 141 . 20 1 1 A 23 23 GLY HA3 H 23 3.940 4.009 -0.069 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 22 0.324 1
5 1 1 1 "RMS(OBS, PRED)" HA 26 0.350 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 22 0.310 1
11 1 2 1 "RMS(OBS, PRED)" HA 26 0.358 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 22 0.346 1
17 1 3 1 "RMS(OBS, PRED)" HA 26 0.360 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 22 0.356 1
23 1 4 1 "RMS(OBS, PRED)" HA 26 0.360 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 22 0.345 1
29 1 5 1 "RMS(OBS, PRED)" HA 26 0.350 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 22 0.367 1
35 1 6 1 "RMS(OBS, PRED)" HA 26 0.335 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 22 0.346 1
41 1 7 1 "RMS(OBS, PRED)" HA 26 0.375 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 22 0.351 1
47 1 8 1 "RMS(OBS, PRED)" HA 26 0.330 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 22 0.392 1
53 1 9 1 "RMS(OBS, PRED)" HA 26 0.352 1
54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 22 0.368 1
59 1 10 1 "RMS(OBS, PRED)" HA 26 0.326 1
60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 22 0.330 1
65 1 11 1 "RMS(OBS, PRED)" HA 26 0.341 1
66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 22 0.350 1
71 1 12 1 "RMS(OBS, PRED)" HA 26 0.371 1
72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 22 0.440 1
77 1 13 1 "RMS(OBS, PRED)" HA 26 0.267 1
78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 22 0.407 1
83 1 14 1 "RMS(OBS, PRED)" HA 26 0.295 1
84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 22 0.436 1
89 1 15 1 "RMS(OBS, PRED)" HA 26 0.270 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 22 0.356 1
95 1 16 1 "RMS(OBS, PRED)" HA 26 0.312 1
96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 22 0.431 1
101 1 17 1 "RMS(OBS, PRED)" HA 26 0.282 1
102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 22 0.442 1
107 1 18 1 "RMS(OBS, PRED)" HA 26 0.299 1
108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 22 0.428 1
113 1 19 1 "RMS(OBS, PRED)" HA 26 0.273 1
114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 22 0.369 1
119 1 20 1 "RMS(OBS, PRED)" HA 26 0.268 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 3 . 1 1 A 2 2 ILE H H 2 8.540 8.613 -0.073 2
1 4 . 1 1 A 2 2 ILE HA H 2 4.270 3.916 0.354 2
1 13 . 1 1 A 3 3 GLY H H 3 8.480 8.360 0.120 2
1 14 . 1 1 A 3 3 GLY HA2 H 3 3.950 3.943 0.007 2
1 15 . 1 1 A 3 3 GLY HA3 H 3 3.880 3.945 -0.065 2
1 16 . 1 1 A 4 4 LYS H H 4 8.160 8.058 0.102 2
1 17 . 1 1 A 4 4 LYS HA H 4 4.330 4.155 0.175 2
1 22 . 1 1 A 5 5 PHE H H 5 8.260 8.150 0.110 2
1 23 . 1 1 A 5 5 PHE HA H 5 4.640 4.145 0.495 2
1 29 . 1 1 A 6 6 LEU H H 6 8.130 8.175 -0.045 2
1 30 . 1 1 A 6 6 LEU HA H 6 4.350 3.957 0.393 2
1 38 . 1 1 A 7 7 LYS H H 7 8.320 7.823 0.497 2
1 39 . 1 1 A 7 7 LYS HA H 7 4.330 3.953 0.377 2
1 43 . 1 1 A 8 8 LYS H H 8 8.270 8.222 0.048 2
1 44 . 1 1 A 8 8 LYS HA H 8 4.250 4.107 0.143 2
1 49 . 1 1 A 9 9 ALA H H 9 8.360 8.322 0.039 2
1 50 . 1 1 A 9 9 ALA HA H 9 4.320 4.107 0.213 2
1 54 . 1 1 A 10 10 LYS H H 10 8.270 8.037 0.233 2
1 55 . 1 1 A 10 10 LYS HA H 10 4.260 4.029 0.231 2
1 59 . 1 1 A 11 11 LYS H H 11 8.330 7.851 0.480 2
1 60 . 1 1 A 11 11 LYS HA H 11 4.320 4.403 -0.083 2
1 64 . 1 1 A 12 12 GLY H H 12 8.490 8.177 0.313 2
1 65 . 1 1 A 12 12 GLY HA2 H 12 4.020 4.029 -0.009 2
1 66 . 1 1 A 12 12 GLY HA3 H 12 4.020 4.030 -0.010 2
1 67 . 1 1 A 13 13 ILE H H 13 8.110 8.590 -0.480 2
1 68 . 1 1 A 13 13 ILE HA H 13 4.220 4.257 -0.037 2
1 77 . 1 1 A 14 14 GLY H H 14 8.510 8.396 0.114 2
1 78 . 1 1 A 14 14 GLY HA2 H 14 3.940 3.977 -0.037 2
1 79 . 1 1 A 14 14 GLY HA3 H 14 3.940 3.995 -0.055 2
1 80 . 1 1 A 15 15 ALA H H 15 8.130 7.944 0.186 2
1 81 . 1 1 A 15 15 ALA HA H 15 4.330 4.170 0.160 2
1 85 . 1 1 A 16 16 VAL H H 16 8.170 7.910 0.260 2
1 86 . 1 1 A 16 16 VAL HA H 16 4.070 3.459 0.611 2
1 94 . 1 1 A 17 17 LEU H H 17 8.330 8.251 0.079 2
1 95 . 1 1 A 17 17 LEU HA H 17 4.310 3.562 0.748 2
1 103 . 1 1 A 18 18 LYS H H 18 8.390 7.975 0.415 2
1 104 . 1 1 A 18 18 LYS HA H 18 4.300 3.978 0.322 2
1 109 . 1 1 A 19 19 VAL H H 19 8.200 7.444 0.757 2
1 110 . 1 1 A 19 19 VAL HA H 19 4.090 3.773 0.316 2
1 118 . 1 1 A 20 20 LEU H H 20 8.470 8.433 0.037 2
1 119 . 1 1 A 20 20 LEU HA H 20 4.480 3.893 0.588 2
1 127 . 1 1 A 21 21 THR H H 21 8.200 7.852 0.348 2
1 128 . 1 1 A 21 21 THR HA H 21 4.430 4.112 0.318 2
1 133 . 1 1 A 22 22 THR H H 22 8.140 8.202 -0.062 2
1 134 . 1 1 A 22 22 THR HA H 22 4.360 4.126 0.234 2
1 139 . 1 1 A 23 23 GLY H H 23 8.460 7.655 0.804 2
1 140 . 1 1 A 23 23 GLY HA2 H 23 3.940 3.989 -0.049 2
1 141 . 1 1 A 23 23 GLY HA3 H 23 3.940 3.996 -0.056 2
stop_
save_