data_16254_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16254
_Entry.PDB_ID 2KHT
_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 10
_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 5 . 1 1 1 A 2 2 CYS C C 2 173.100 174.363 -1.263 1
1 6 . 1 1 1 A 2 2 CYS CA C 2 54.900 57.484 -2.584 1
1 7 . 1 1 1 A 2 2 CYS CB C 2 48.400 28.974 19.426 1
1 8 . 1 1 1 A 2 2 CYS N N 2 117.800 119.167 -1.367 1
1 9 . 1 1 1 A 3 3 TYR C C 3 174.300 175.697 -1.397 1
1 10 . 1 1 1 A 3 3 TYR CA C 3 56.350 57.766 -1.416 1
1 11 . 1 1 1 A 3 3 TYR CB C 3 43.400 40.096 3.304 1
1 12 . 1 1 1 A 3 3 TYR N N 3 117.600 122.707 -5.107 1
1 13 . 1 1 1 A 4 4 CYS C C 4 173.100 173.954 -0.854 1
1 14 . 1 1 1 A 4 4 CYS CA C 4 54.350 57.981 -3.631 1
1 15 . 1 1 1 A 4 4 CYS CB C 4 46.200 29.720 16.480 1
1 16 . 1 1 1 A 4 4 CYS N N 4 130.600 120.853 9.747 1
1 17 . 1 1 1 A 5 5 ARG C C 5 175.350 176.007 -0.657 1
1 18 . 1 1 1 A 5 5 ARG CA C 5 55.800 55.304 0.496 1
1 19 . 1 1 1 A 5 5 ARG CB C 5 35.600 31.133 4.467 1
1 23 . 1 1 1 A 5 5 ARG N N 5 123.100 123.753 -0.653 1
1 24 . 1 1 1 A 6 6 ILE C C 6 174.300 173.916 0.384 1
1 25 . 1 1 1 A 6 6 ILE CA C 6 58.150 57.155 0.995 1
1 26 . 1 1 1 A 6 6 ILE CB C 6 42.850 40.620 2.230 1
1 30 . 1 1 1 A 6 6 ILE N N 6 122.300 121.120 1.180 1
1 31 . 1 1 1 A 7 7 PRO C C 7 174.350 175.693 -1.343 1
1 32 . 1 1 1 A 7 7 PRO CA C 7 63.950 62.540 1.410 1
1 33 . 1 1 1 A 7 7 PRO CB C 7 34.600 29.966 4.634 1
1 36 . 1 1 1 A 7 7 PRO N N 7 134.400 140.756 -6.356 1
1 37 . 1 1 1 A 8 8 ALA C C 8 174.750 176.709 -1.959 1
1 38 . 1 1 1 A 8 8 ALA CA C 8 50.550 50.853 -0.303 1
1 39 . 1 1 1 A 8 8 ALA CB C 8 22.200 21.713 0.487 1
1 40 . 1 1 1 A 8 8 ALA N N 8 122.600 124.289 -1.689 1
1 41 . 1 1 1 A 9 9 CYS C C 9 174.700 174.259 0.441 1
1 42 . 1 1 1 A 9 9 CYS CA C 9 52.500 58.878 -6.378 1
1 43 . 1 1 1 A 9 9 CYS CB C 9 35.200 26.647 8.553 1
1 44 . 1 1 1 A 9 9 CYS N N 9 115.600 116.019 -0.419 1
1 45 . 1 1 1 A 10 10 ILE C C 10 175.100 176.512 -1.412 1
1 46 . 1 1 1 A 10 10 ILE CA C 10 59.600 63.289 -3.689 1
1 47 . 1 1 1 A 10 10 ILE CB C 10 39.200 37.955 1.245 1
1 51 . 1 1 1 A 10 10 ILE N N 10 115.400 124.756 -9.356 1
1 52 . 1 1 1 A 11 11 ALA C C 11 177.050 178.442 -1.392 1
1 53 . 1 1 1 A 11 11 ALA CA C 11 53.500 52.376 1.124 1
1 54 . 1 1 1 A 11 11 ALA CB C 11 18.250 20.322 -2.072 1
1 55 . 1 1 1 A 11 11 ALA N N 11 121.900 124.324 -2.424 1
1 56 . 1 1 1 A 12 12 GLY C C 12 174.500 173.549 0.951 1
1 57 . 1 1 1 A 12 12 GLY CA C 12 44.250 45.734 -1.484 1
1 58 . 1 1 1 A 12 12 GLY N N 12 109.600 106.988 2.612 1
1 59 . 1 1 1 A 13 13 GLU C C 13 175.300 174.586 0.714 1
1 60 . 1 1 1 A 13 13 GLU CA C 13 54.100 54.312 -0.212 1
1 61 . 1 1 1 A 13 13 GLU CB C 13 33.100 33.209 -0.109 1
1 64 . 1 1 1 A 13 13 GLU N N 13 121.300 120.062 1.238 1
1 65 . 1 1 1 A 14 14 ARG C C 14 173.100 174.419 -1.319 1
1 66 . 1 1 1 A 14 14 ARG CA C 14 54.400 54.102 0.298 1
1 67 . 1 1 1 A 14 14 ARG N N 14 130.600 122.032 8.568 1
1 68 . 1 1 1 A 15 15 ARG C C 15 177.000 175.674 1.326 1
1 69 . 1 1 1 A 15 15 ARG CA C 15 56.300 56.203 0.097 1
1 70 . 1 1 1 A 15 15 ARG CB C 15 30.000 30.859 -0.859 1
1 74 . 1 1 1 A 15 15 ARG N N 15 122.800 126.966 -4.166 1
1 75 . 1 1 1 A 16 16 TYR C C 16 175.200 176.961 -1.761 1
1 76 . 1 1 1 A 16 16 TYR CA C 16 58.000 60.517 -2.517 1
1 77 . 1 1 1 A 16 16 TYR CB C 16 40.200 39.364 0.836 1
1 79 . 1 1 1 A 16 16 TYR N N 16 128.100 123.643 4.457 1
1 80 . 1 1 1 A 17 17 GLY C C 17 173.750 172.969 0.781 1
1 81 . 1 1 1 A 17 17 GLY CA C 17 46.700 45.600 1.100 1
1 82 . 1 1 1 A 17 17 GLY N N 17 107.300 107.581 -0.281 1
1 83 . 1 1 1 A 18 18 THR C C 18 173.400 173.406 -0.006 1
1 84 . 1 1 1 A 18 18 THR CA C 18 61.100 59.847 1.253 1
1 85 . 1 1 1 A 18 18 THR CB C 18 71.300 71.841 -0.541 1
1 87 . 1 1 1 A 18 18 THR N N 18 124.200 111.163 13.037 1
1 88 . 1 1 1 A 19 19 CYS C C 19 173.400 173.379 0.021 1
1 89 . 1 1 1 A 19 19 CYS CA C 19 53.250 57.240 -3.990 1
1 90 . 1 1 1 A 19 19 CYS CB C 19 44.750 29.177 15.573 1
1 91 . 1 1 1 A 19 19 CYS N N 19 122.300 121.061 1.239 1
1 92 . 1 1 1 A 20 20 ILE C C 20 175.200 174.611 0.589 1
1 93 . 1 1 1 A 20 20 ILE CA C 20 61.350 60.466 0.884 1
1 94 . 1 1 1 A 20 20 ILE CB C 20 37.600 36.854 0.746 1
1 98 . 1 1 1 A 20 20 ILE N N 20 123.600 126.661 -3.061 1
1 99 . 1 1 1 A 21 21 TYR C C 21 174.300 174.890 -0.590 1
1 100 . 1 1 1 A 21 21 TYR CA C 21 56.700 57.765 -1.065 1
1 101 . 1 1 1 A 21 21 TYR CB C 21 39.450 41.325 -1.875 1
1 103 . 1 1 1 A 21 21 TYR N N 21 125.500 127.797 -2.297 1
1 104 . 1 1 1 A 22 22 GLN C C 22 175.450 175.133 0.317 1
1 105 . 1 1 1 A 22 22 GLN CA C 22 55.850 56.658 -0.808 1
1 106 . 1 1 1 A 22 22 GLN CB C 22 25.550 27.488 -1.938 1
1 109 . 1 1 1 A 22 22 GLN N N 22 129.000 126.836 2.164 1
1 110 . 1 1 1 A 23 23 GLY C C 23 172.000 174.019 -2.019 1
1 111 . 1 1 1 A 23 23 GLY CA C 23 45.700 45.920 -0.220 1
1 112 . 1 1 1 A 23 23 GLY N N 23 103.400 105.285 -1.885 1
1 113 . 1 1 1 A 24 24 ARG C C 24 173.700 175.127 -1.427 1
1 114 . 1 1 1 A 24 24 ARG CA C 24 53.400 54.486 -1.086 1
1 115 . 1 1 1 A 24 24 ARG CB C 24 34.100 32.841 1.259 1
1 118 . 1 1 1 A 24 24 ARG N N 24 118.400 119.401 -1.001 1
1 119 . 1 1 1 A 25 25 LEU C C 25 176.100 176.658 -0.558 1
1 120 . 1 1 1 A 25 25 LEU CA C 25 53.350 54.245 -0.895 1
1 121 . 1 1 1 A 25 25 LEU CB C 25 42.900 42.609 0.291 1
1 125 . 1 1 1 A 25 25 LEU N N 25 120.200 124.005 -3.805 1
1 126 . 1 1 1 A 26 26 TRP C C 26 177.000 175.540 1.460 1
1 127 . 1 1 1 A 26 26 TRP CA C 26 53.750 54.951 -1.201 1
1 128 . 1 1 1 A 26 26 TRP CB C 26 30.700 31.608 -0.908 1
1 129 . 1 1 1 A 26 26 TRP N N 26 120.700 119.361 1.339 1
1 130 . 1 1 1 A 27 27 ALA C C 27 174.700 176.654 -1.954 1
1 131 . 1 1 1 A 27 27 ALA CA C 27 52.850 50.778 2.072 1
1 132 . 1 1 1 A 27 27 ALA CB C 27 18.600 20.768 -2.168 1
1 133 . 1 1 1 A 27 27 ALA N N 27 127.100 127.820 -0.720 1
1 134 . 1 1 1 A 28 28 PHE CA C 28 58.350 56.938 1.412 1
1 135 . 1 1 1 A 28 28 PHE CB C 28 41.550 38.853 2.697 1
1 137 . 1 1 1 A 28 28 PHE N N 28 123.800 121.094 2.706 1
1 138 . 1 1 1 A 29 29 CYS C C 29 174.400 173.488 0.912 1
1 139 . 1 1 1 A 29 29 CYS CA C 29 54.650 57.127 -2.477 1
1 140 . 1 1 1 A 29 29 CYS CB C 29 40.450 30.530 9.920 1
1 141 . 1 1 1 A 29 29 CYS N N 29 121.900 127.107 -5.207 1
1 5 . 2 1 1 A 2 2 CYS C C 2 173.100 172.744 0.356 1
1 6 . 2 1 1 A 2 2 CYS CA C 2 54.900 57.122 -2.222 1
1 7 . 2 1 1 A 2 2 CYS CB C 2 48.400 30.581 17.819 1
1 8 . 2 1 1 A 2 2 CYS N N 2 117.800 113.194 4.606 1
1 9 . 2 1 1 A 3 3 TYR C C 3 174.300 173.575 0.725 1
1 10 . 2 1 1 A 3 3 TYR CA C 3 56.350 55.168 1.182 1
1 11 . 2 1 1 A 3 3 TYR CB C 3 43.400 36.957 6.443 1
1 12 . 2 1 1 A 3 3 TYR N N 3 117.600 117.575 0.025 1
1 13 . 2 1 1 A 4 4 CYS C C 4 173.100 172.262 0.838 1
1 14 . 2 1 1 A 4 4 CYS CA C 4 54.350 57.925 -3.575 1
1 15 . 2 1 1 A 4 4 CYS CB C 4 46.200 31.979 14.221 1
1 16 . 2 1 1 A 4 4 CYS N N 4 130.600 119.985 10.615 1
1 17 . 2 1 1 A 5 5 ARG C C 5 175.350 175.217 0.133 1
1 18 . 2 1 1 A 5 5 ARG CA C 5 55.800 55.168 0.632 1
1 19 . 2 1 1 A 5 5 ARG CB C 5 35.600 31.860 3.740 1
1 23 . 2 1 1 A 5 5 ARG N N 5 123.100 123.028 0.072 1
1 24 . 2 1 1 A 6 6 ILE C C 6 174.300 174.191 0.109 1
1 25 . 2 1 1 A 6 6 ILE CA C 6 58.150 57.379 0.771 1
1 26 . 2 1 1 A 6 6 ILE CB C 6 42.850 41.007 1.843 1
1 30 . 2 1 1 A 6 6 ILE N N 6 122.300 126.579 -4.279 1
1 31 . 2 1 1 A 7 7 PRO C C 7 174.350 175.945 -1.595 1
1 32 . 2 1 1 A 7 7 PRO CA C 7 63.950 62.692 1.258 1
1 33 . 2 1 1 A 7 7 PRO CB C 7 34.600 30.444 4.156 1
1 36 . 2 1 1 A 7 7 PRO N N 7 134.400 143.045 -8.645 1
1 37 . 2 1 1 A 8 8 ALA C C 8 174.750 176.765 -2.015 1
1 38 . 2 1 1 A 8 8 ALA CA C 8 50.550 50.696 -0.146 1
1 39 . 2 1 1 A 8 8 ALA CB C 8 22.200 21.315 0.885 1
1 40 . 2 1 1 A 8 8 ALA N N 8 122.600 123.842 -1.242 1
1 41 . 2 1 1 A 9 9 CYS C C 9 174.700 174.346 0.354 1
1 42 . 2 1 1 A 9 9 CYS CA C 9 52.500 58.994 -6.494 1
1 43 . 2 1 1 A 9 9 CYS CB C 9 35.200 26.688 8.512 1
1 44 . 2 1 1 A 9 9 CYS N N 9 115.600 115.809 -0.209 1
1 45 . 2 1 1 A 10 10 ILE C C 10 175.100 176.523 -1.423 1
1 46 . 2 1 1 A 10 10 ILE CA C 10 59.600 64.543 -4.943 1
1 47 . 2 1 1 A 10 10 ILE CB C 10 39.200 37.681 1.519 1
1 51 . 2 1 1 A 10 10 ILE N N 10 115.400 124.709 -9.309 1
1 52 . 2 1 1 A 11 11 ALA C C 11 177.050 178.552 -1.502 1
1 53 . 2 1 1 A 11 11 ALA CA C 11 53.500 52.877 0.623 1
1 54 . 2 1 1 A 11 11 ALA CB C 11 18.250 20.147 -1.897 1
1 55 . 2 1 1 A 11 11 ALA N N 11 121.900 124.041 -2.141 1
1 56 . 2 1 1 A 12 12 GLY C C 12 174.500 173.066 1.434 1
1 57 . 2 1 1 A 12 12 GLY CA C 12 44.250 45.249 -0.999 1
1 58 . 2 1 1 A 12 12 GLY N N 12 109.600 109.803 -0.203 1
1 59 . 2 1 1 A 13 13 GLU C C 13 175.300 174.312 0.988 1
1 60 . 2 1 1 A 13 13 GLU CA C 13 54.100 55.315 -1.215 1
1 61 . 2 1 1 A 13 13 GLU CB C 13 33.100 33.096 0.004 1
1 64 . 2 1 1 A 13 13 GLU N N 13 121.300 120.163 1.137 1
1 65 . 2 1 1 A 14 14 ARG C C 14 173.100 175.944 -2.844 1
1 66 . 2 1 1 A 14 14 ARG CA C 14 54.400 54.306 0.094 1
1 67 . 2 1 1 A 14 14 ARG N N 14 130.600 123.008 7.592 1
1 68 . 2 1 1 A 15 15 ARG C C 15 177.000 174.905 2.095 1
1 69 . 2 1 1 A 15 15 ARG CA C 15 56.300 56.008 0.292 1
1 70 . 2 1 1 A 15 15 ARG CB C 15 30.000 31.038 -1.038 1
1 74 . 2 1 1 A 15 15 ARG N N 15 122.800 120.592 2.208 1
1 75 . 2 1 1 A 16 16 TYR C C 16 175.200 175.279 -0.079 1
1 76 . 2 1 1 A 16 16 TYR CA C 16 58.000 58.710 -0.710 1
1 77 . 2 1 1 A 16 16 TYR CB C 16 40.200 38.977 1.223 1
1 79 . 2 1 1 A 16 16 TYR N N 16 128.100 121.555 6.545 1
1 80 . 2 1 1 A 17 17 GLY C C 17 173.750 173.854 -0.104 1
1 81 . 2 1 1 A 17 17 GLY CA C 17 46.700 46.774 -0.074 1
1 82 . 2 1 1 A 17 17 GLY N N 17 107.300 107.803 -0.503 1
1 83 . 2 1 1 A 18 18 THR C C 18 173.400 174.269 -0.869 1
1 84 . 2 1 1 A 18 18 THR CA C 18 61.100 62.018 -0.918 1
1 85 . 2 1 1 A 18 18 THR CB C 18 71.300 70.516 0.784 1
1 87 . 2 1 1 A 18 18 THR N N 18 124.200 113.887 10.313 1
1 88 . 2 1 1 A 19 19 CYS C C 19 173.400 173.618 -0.218 1
1 89 . 2 1 1 A 19 19 CYS CA C 19 53.250 57.311 -4.061 1
1 90 . 2 1 1 A 19 19 CYS CB C 19 44.750 30.541 14.209 1
1 91 . 2 1 1 A 19 19 CYS N N 19 122.300 119.362 2.938 1
1 92 . 2 1 1 A 20 20 ILE C C 20 175.200 174.709 0.491 1
1 93 . 2 1 1 A 20 20 ILE CA C 20 61.350 60.808 0.542 1
1 94 . 2 1 1 A 20 20 ILE CB C 20 37.600 36.904 0.696 1
1 98 . 2 1 1 A 20 20 ILE N N 20 123.600 126.558 -2.958 1
1 99 . 2 1 1 A 21 21 TYR C C 21 174.300 175.260 -0.960 1
1 100 . 2 1 1 A 21 21 TYR CA C 21 56.700 56.071 0.629 1
1 101 . 2 1 1 A 21 21 TYR CB C 21 39.450 41.934 -2.484 1
1 103 . 2 1 1 A 21 21 TYR N N 21 125.500 125.383 0.117 1
1 104 . 2 1 1 A 22 22 GLN C C 22 175.450 176.118 -0.668 1
1 105 . 2 1 1 A 22 22 GLN CA C 22 55.850 57.035 -1.185 1
1 106 . 2 1 1 A 22 22 GLN CB C 22 25.550 26.871 -1.321 1
1 109 . 2 1 1 A 22 22 GLN N N 22 129.000 124.080 4.920 1
1 110 . 2 1 1 A 23 23 GLY C C 23 172.000 173.782 -1.782 1
1 111 . 2 1 1 A 23 23 GLY CA C 23 45.700 45.803 -0.103 1
1 112 . 2 1 1 A 23 23 GLY N N 23 103.400 105.182 -1.782 1
1 113 . 2 1 1 A 24 24 ARG C C 24 173.700 174.790 -1.090 1
1 114 . 2 1 1 A 24 24 ARG CA C 24 53.400 54.286 -0.886 1
1 115 . 2 1 1 A 24 24 ARG CB C 24 34.100 33.170 0.930 1
1 118 . 2 1 1 A 24 24 ARG N N 24 118.400 119.657 -1.257 1
1 119 . 2 1 1 A 25 25 LEU C C 25 176.100 176.365 -0.265 1
1 120 . 2 1 1 A 25 25 LEU CA C 25 53.350 54.093 -0.743 1
1 121 . 2 1 1 A 25 25 LEU CB C 25 42.900 43.125 -0.225 1
1 125 . 2 1 1 A 25 25 LEU N N 25 120.200 122.069 -1.869 1
1 126 . 2 1 1 A 26 26 TRP C C 26 177.000 174.882 2.118 1
1 127 . 2 1 1 A 26 26 TRP CA C 26 53.750 55.504 -1.754 1
1 128 . 2 1 1 A 26 26 TRP CB C 26 30.700 31.355 -0.655 1
1 129 . 2 1 1 A 26 26 TRP N N 26 120.700 125.650 -4.950 1
1 130 . 2 1 1 A 27 27 ALA C C 27 174.700 176.811 -2.111 1
1 131 . 2 1 1 A 27 27 ALA CA C 27 52.850 51.204 1.646 1
1 132 . 2 1 1 A 27 27 ALA CB C 27 18.600 20.066 -1.466 1
1 133 . 2 1 1 A 27 27 ALA N N 27 127.100 130.811 -3.711 1
1 134 . 2 1 1 A 28 28 PHE CA C 28 58.350 56.908 1.442 1
1 135 . 2 1 1 A 28 28 PHE CB C 28 41.550 39.163 2.387 1
1 137 . 2 1 1 A 28 28 PHE N N 28 123.800 122.018 1.782 1
1 138 . 2 1 1 A 29 29 CYS C C 29 174.400 174.938 -0.538 1
1 139 . 2 1 1 A 29 29 CYS CA C 29 54.650 57.548 -2.898 1
1 140 . 2 1 1 A 29 29 CYS CB C 29 40.450 30.322 10.128 1
1 141 . 2 1 1 A 29 29 CYS N N 29 121.900 126.597 -4.697 1
1 5 . 3 1 1 A 2 2 CYS C C 2 173.100 173.137 -0.037 1
1 6 . 3 1 1 A 2 2 CYS CA C 2 54.900 57.096 -2.196 1
1 7 . 3 1 1 A 2 2 CYS CB C 2 48.400 29.777 18.623 1
1 8 . 3 1 1 A 2 2 CYS N N 2 117.800 118.801 -1.001 1
1 9 . 3 1 1 A 3 3 TYR C C 3 174.300 174.530 -0.230 1
1 10 . 3 1 1 A 3 3 TYR CA C 3 56.350 56.893 -0.543 1
1 11 . 3 1 1 A 3 3 TYR CB C 3 43.400 41.533 1.867 1
1 12 . 3 1 1 A 3 3 TYR N N 3 117.600 128.376 -10.776 1
1 13 . 3 1 1 A 4 4 CYS C C 4 173.100 174.368 -1.268 1
1 14 . 3 1 1 A 4 4 CYS CA C 4 54.350 57.711 -3.361 1
1 15 . 3 1 1 A 4 4 CYS CB C 4 46.200 29.170 17.030 1
1 16 . 3 1 1 A 4 4 CYS N N 4 130.600 123.209 7.391 1
1 17 . 3 1 1 A 5 5 ARG C C 5 175.350 174.702 0.648 1
1 18 . 3 1 1 A 5 5 ARG CA C 5 55.800 53.969 1.831 1
1 19 . 3 1 1 A 5 5 ARG CB C 5 35.600 33.651 1.949 1
1 23 . 3 1 1 A 5 5 ARG N N 5 123.100 123.140 -0.040 1
1 24 . 3 1 1 A 6 6 ILE C C 6 174.300 174.548 -0.248 1
1 25 . 3 1 1 A 6 6 ILE CA C 6 58.150 57.702 0.448 1
1 26 . 3 1 1 A 6 6 ILE CB C 6 42.850 38.159 4.691 1
1 30 . 3 1 1 A 6 6 ILE N N 6 122.300 118.867 3.433 1
1 31 . 3 1 1 A 7 7 PRO C C 7 174.350 175.579 -1.229 1
1 32 . 3 1 1 A 7 7 PRO CA C 7 63.950 62.985 0.965 1
1 33 . 3 1 1 A 7 7 PRO CB C 7 34.600 31.471 3.129 1
1 36 . 3 1 1 A 7 7 PRO N N 7 134.400 138.222 -3.822 1
1 37 . 3 1 1 A 8 8 ALA C C 8 174.750 176.047 -1.297 1
1 38 . 3 1 1 A 8 8 ALA CA C 8 50.550 52.043 -1.493 1
1 39 . 3 1 1 A 8 8 ALA CB C 8 22.200 20.808 1.392 1
1 40 . 3 1 1 A 8 8 ALA N N 8 122.600 125.072 -2.472 1
1 41 . 3 1 1 A 9 9 CYS C C 9 174.700 174.579 0.121 1
1 42 . 3 1 1 A 9 9 CYS CA C 9 52.500 58.206 -5.706 1
1 43 . 3 1 1 A 9 9 CYS CB C 9 35.200 25.688 9.512 1
1 44 . 3 1 1 A 9 9 CYS N N 9 115.600 123.695 -8.095 1
1 45 . 3 1 1 A 10 10 ILE C C 10 175.100 178.147 -3.047 1
1 46 . 3 1 1 A 10 10 ILE CA C 10 59.600 65.486 -5.886 1
1 47 . 3 1 1 A 10 10 ILE CB C 10 39.200 37.922 1.278 1
1 51 . 3 1 1 A 10 10 ILE N N 10 115.400 124.655 -9.255 1
1 52 . 3 1 1 A 11 11 ALA C C 11 177.050 177.854 -0.804 1
1 53 . 3 1 1 A 11 11 ALA CA C 11 53.500 52.747 0.753 1
1 54 . 3 1 1 A 11 11 ALA CB C 11 18.250 19.676 -1.426 1
1 55 . 3 1 1 A 11 11 ALA N N 11 121.900 121.034 0.866 1
1 56 . 3 1 1 A 12 12 GLY C C 12 174.500 173.745 0.755 1
1 57 . 3 1 1 A 12 12 GLY CA C 12 44.250 46.168 -1.918 1
1 58 . 3 1 1 A 12 12 GLY N N 12 109.600 105.513 4.087 1
1 59 . 3 1 1 A 13 13 GLU C C 13 175.300 174.820 0.480 1
1 60 . 3 1 1 A 13 13 GLU CA C 13 54.100 54.741 -0.641 1
1 61 . 3 1 1 A 13 13 GLU CB C 13 33.100 33.725 -0.625 1
1 64 . 3 1 1 A 13 13 GLU N N 13 121.300 118.752 2.548 1
1 65 . 3 1 1 A 14 14 ARG C C 14 173.100 175.929 -2.829 1
1 66 . 3 1 1 A 14 14 ARG CA C 14 54.400 54.508 -0.108 1
1 67 . 3 1 1 A 14 14 ARG N N 14 130.600 121.356 9.244 1
1 68 . 3 1 1 A 15 15 ARG C C 15 177.000 174.762 2.238 1
1 69 . 3 1 1 A 15 15 ARG CA C 15 56.300 56.095 0.205 1
1 70 . 3 1 1 A 15 15 ARG CB C 15 30.000 30.636 -0.636 1
1 74 . 3 1 1 A 15 15 ARG N N 15 122.800 123.470 -0.670 1
1 75 . 3 1 1 A 16 16 TYR C C 16 175.200 175.195 0.005 1
1 76 . 3 1 1 A 16 16 TYR CA C 16 58.000 58.309 -0.309 1
1 77 . 3 1 1 A 16 16 TYR CB C 16 40.200 39.771 0.429 1
1 79 . 3 1 1 A 16 16 TYR N N 16 128.100 119.596 8.504 1
1 80 . 3 1 1 A 17 17 GLY C C 17 173.750 173.341 0.409 1
1 81 . 3 1 1 A 17 17 GLY CA C 17 46.700 47.064 -0.364 1
1 82 . 3 1 1 A 17 17 GLY N N 17 107.300 108.076 -0.776 1
1 83 . 3 1 1 A 18 18 THR C C 18 173.400 174.018 -0.618 1
1 84 . 3 1 1 A 18 18 THR CA C 18 61.100 62.286 -1.186 1
1 85 . 3 1 1 A 18 18 THR CB C 18 71.300 69.965 1.335 1
1 87 . 3 1 1 A 18 18 THR N N 18 124.200 116.785 7.415 1
1 88 . 3 1 1 A 19 19 CYS C C 19 173.400 173.457 -0.057 1
1 89 . 3 1 1 A 19 19 CYS CA C 19 53.250 57.238 -3.988 1
1 90 . 3 1 1 A 19 19 CYS CB C 19 44.750 29.175 15.575 1
1 91 . 3 1 1 A 19 19 CYS N N 19 122.300 123.368 -1.068 1
1 92 . 3 1 1 A 20 20 ILE C C 20 175.200 174.064 1.136 1
1 93 . 3 1 1 A 20 20 ILE CA C 20 61.350 60.204 1.146 1
1 94 . 3 1 1 A 20 20 ILE CB C 20 37.600 38.196 -0.596 1
1 98 . 3 1 1 A 20 20 ILE N N 20 123.600 122.820 0.780 1
1 99 . 3 1 1 A 21 21 TYR C C 21 174.300 175.488 -1.188 1
1 100 . 3 1 1 A 21 21 TYR CA C 21 56.700 56.343 0.357 1
1 101 . 3 1 1 A 21 21 TYR CB C 21 39.450 41.031 -1.581 1
1 103 . 3 1 1 A 21 21 TYR N N 21 125.500 125.831 -0.331 1
1 104 . 3 1 1 A 22 22 GLN C C 22 175.450 175.986 -0.536 1
1 105 . 3 1 1 A 22 22 GLN CA C 22 55.850 57.067 -1.217 1
1 106 . 3 1 1 A 22 22 GLN CB C 22 25.550 26.960 -1.410 1
1 109 . 3 1 1 A 22 22 GLN N N 22 129.000 125.148 3.852 1
1 110 . 3 1 1 A 23 23 GLY C C 23 172.000 173.451 -1.451 1
1 111 . 3 1 1 A 23 23 GLY CA C 23 45.700 45.368 0.332 1
1 112 . 3 1 1 A 23 23 GLY N N 23 103.400 105.586 -2.186 1
1 113 . 3 1 1 A 24 24 ARG C C 24 173.700 175.668 -1.968 1
1 114 . 3 1 1 A 24 24 ARG CA C 24 53.400 54.829 -1.429 1
1 115 . 3 1 1 A 24 24 ARG CB C 24 34.100 31.989 2.111 1
1 118 . 3 1 1 A 24 24 ARG N N 24 118.400 122.207 -3.807 1
1 119 . 3 1 1 A 25 25 LEU C C 25 176.100 176.833 -0.733 1
1 120 . 3 1 1 A 25 25 LEU CA C 25 53.350 55.029 -1.679 1
1 121 . 3 1 1 A 25 25 LEU CB C 25 42.900 42.325 0.575 1
1 125 . 3 1 1 A 25 25 LEU N N 25 120.200 124.784 -4.584 1
1 126 . 3 1 1 A 26 26 TRP C C 26 177.000 176.100 0.900 1
1 127 . 3 1 1 A 26 26 TRP CA C 26 53.750 55.867 -2.117 1
1 128 . 3 1 1 A 26 26 TRP CB C 26 30.700 32.335 -1.635 1
1 129 . 3 1 1 A 26 26 TRP N N 26 120.700 124.702 -4.002 1
1 130 . 3 1 1 A 27 27 ALA C C 27 174.700 176.414 -1.714 1
1 131 . 3 1 1 A 27 27 ALA CA C 27 52.850 50.744 2.106 1
1 132 . 3 1 1 A 27 27 ALA CB C 27 18.600 20.145 -1.545 1
1 133 . 3 1 1 A 27 27 ALA N N 27 127.100 125.534 1.566 1
1 134 . 3 1 1 A 28 28 PHE CA C 28 58.350 57.017 1.333 1
1 135 . 3 1 1 A 28 28 PHE CB C 28 41.550 39.095 2.455 1
1 137 . 3 1 1 A 28 28 PHE N N 28 123.800 125.786 -1.986 1
1 138 . 3 1 1 A 29 29 CYS C C 29 174.400 174.419 -0.019 1
1 139 . 3 1 1 A 29 29 CYS CA C 29 54.650 57.667 -3.017 1
1 140 . 3 1 1 A 29 29 CYS CB C 29 40.450 30.898 9.552 1
1 141 . 3 1 1 A 29 29 CYS N N 29 121.900 125.957 -4.057 1
1 5 . 4 1 1 A 2 2 CYS C C 2 173.100 173.146 -0.046 1
1 6 . 4 1 1 A 2 2 CYS CA C 2 54.900 56.678 -1.778 1
1 7 . 4 1 1 A 2 2 CYS CB C 2 48.400 31.072 17.328 1
1 8 . 4 1 1 A 2 2 CYS N N 2 117.800 115.433 2.367 1
1 9 . 4 1 1 A 3 3 TYR C C 3 174.300 173.730 0.570 1
1 10 . 4 1 1 A 3 3 TYR CA C 3 56.350 55.372 0.978 1
1 11 . 4 1 1 A 3 3 TYR CB C 3 43.400 37.778 5.622 1
1 12 . 4 1 1 A 3 3 TYR N N 3 117.600 117.470 0.130 1
1 13 . 4 1 1 A 4 4 CYS C C 4 173.100 172.043 1.057 1
1 14 . 4 1 1 A 4 4 CYS CA C 4 54.350 57.112 -2.762 1
1 15 . 4 1 1 A 4 4 CYS CB C 4 46.200 31.736 14.464 1
1 16 . 4 1 1 A 4 4 CYS N N 4 130.600 120.301 10.299 1
1 17 . 4 1 1 A 5 5 ARG C C 5 175.350 176.116 -0.766 1
1 18 . 4 1 1 A 5 5 ARG CA C 5 55.800 55.345 0.455 1
1 19 . 4 1 1 A 5 5 ARG CB C 5 35.600 31.806 3.794 1
1 23 . 4 1 1 A 5 5 ARG N N 5 123.100 122.639 0.461 1
1 24 . 4 1 1 A 6 6 ILE C C 6 174.300 175.949 -1.649 1
1 25 . 4 1 1 A 6 6 ILE CA C 6 58.150 57.742 0.408 1
1 26 . 4 1 1 A 6 6 ILE CB C 6 42.850 38.939 3.911 1
1 30 . 4 1 1 A 6 6 ILE N N 6 122.300 123.479 -1.179 1
1 31 . 4 1 1 A 7 7 PRO C C 7 174.350 175.303 -0.953 1
1 32 . 4 1 1 A 7 7 PRO CA C 7 63.950 63.717 0.233 1
1 33 . 4 1 1 A 7 7 PRO CB C 7 34.600 31.058 3.542 1
1 36 . 4 1 1 A 7 7 PRO N N 7 134.400 135.673 -1.273 1
1 37 . 4 1 1 A 8 8 ALA C C 8 174.750 175.996 -1.246 1
1 38 . 4 1 1 A 8 8 ALA CA C 8 50.550 51.528 -0.978 1
1 39 . 4 1 1 A 8 8 ALA CB C 8 22.200 20.617 1.583 1
1 40 . 4 1 1 A 8 8 ALA N N 8 122.600 120.598 2.002 1
1 41 . 4 1 1 A 9 9 CYS C C 9 174.700 175.686 -0.986 1
1 42 . 4 1 1 A 9 9 CYS CA C 9 52.500 59.576 -7.076 1
1 43 . 4 1 1 A 9 9 CYS CB C 9 35.200 28.167 7.033 1
1 44 . 4 1 1 A 9 9 CYS N N 9 115.600 123.297 -7.697 1
1 45 . 4 1 1 A 10 10 ILE C C 10 175.100 177.800 -2.700 1
1 46 . 4 1 1 A 10 10 ILE CA C 10 59.600 65.525 -5.925 1
1 47 . 4 1 1 A 10 10 ILE CB C 10 39.200 38.075 1.125 1
1 51 . 4 1 1 A 10 10 ILE N N 10 115.400 127.269 -11.869 1
1 52 . 4 1 1 A 11 11 ALA C C 11 177.050 178.158 -1.108 1
1 53 . 4 1 1 A 11 11 ALA CA C 11 53.500 52.297 1.203 1
1 54 . 4 1 1 A 11 11 ALA CB C 11 18.250 19.772 -1.522 1
1 55 . 4 1 1 A 11 11 ALA N N 11 121.900 119.338 2.562 1
1 56 . 4 1 1 A 12 12 GLY C C 12 174.500 174.156 0.344 1
1 57 . 4 1 1 A 12 12 GLY CA C 12 44.250 46.211 -1.961 1
1 58 . 4 1 1 A 12 12 GLY N N 12 109.600 108.144 1.456 1
1 59 . 4 1 1 A 13 13 GLU C C 13 175.300 175.739 -0.439 1
1 60 . 4 1 1 A 13 13 GLU CA C 13 54.100 55.305 -1.205 1
1 61 . 4 1 1 A 13 13 GLU CB C 13 33.100 31.758 1.342 1
1 64 . 4 1 1 A 13 13 GLU N N 13 121.300 119.254 2.046 1
1 65 . 4 1 1 A 14 14 ARG C C 14 173.100 176.462 -3.362 1
1 66 . 4 1 1 A 14 14 ARG CA C 14 54.400 54.323 0.077 1
1 67 . 4 1 1 A 14 14 ARG N N 14 130.600 120.202 10.398 1
1 68 . 4 1 1 A 15 15 ARG C C 15 177.000 175.601 1.399 1
1 69 . 4 1 1 A 15 15 ARG CA C 15 56.300 56.405 -0.105 1
1 70 . 4 1 1 A 15 15 ARG CB C 15 30.000 30.838 -0.838 1
1 74 . 4 1 1 A 15 15 ARG N N 15 122.800 122.665 0.135 1
1 75 . 4 1 1 A 16 16 TYR C C 16 175.200 175.271 -0.071 1
1 76 . 4 1 1 A 16 16 TYR CA C 16 58.000 58.606 -0.606 1
1 77 . 4 1 1 A 16 16 TYR CB C 16 40.200 38.913 1.287 1
1 79 . 4 1 1 A 16 16 TYR N N 16 128.100 122.922 5.178 1
1 80 . 4 1 1 A 17 17 GLY C C 17 173.750 174.174 -0.424 1
1 81 . 4 1 1 A 17 17 GLY CA C 17 46.700 47.097 -0.397 1
1 82 . 4 1 1 A 17 17 GLY N N 17 107.300 107.868 -0.568 1
1 83 . 4 1 1 A 18 18 THR C C 18 173.400 174.562 -1.162 1
1 84 . 4 1 1 A 18 18 THR CA C 18 61.100 61.764 -0.664 1
1 85 . 4 1 1 A 18 18 THR CB C 18 71.300 70.741 0.559 1
1 87 . 4 1 1 A 18 18 THR N N 18 124.200 113.484 10.716 1
1 88 . 4 1 1 A 19 19 CYS C C 19 173.400 174.765 -1.365 1
1 89 . 4 1 1 A 19 19 CYS CA C 19 53.250 57.391 -4.141 1
1 90 . 4 1 1 A 19 19 CYS CB C 19 44.750 29.881 14.869 1
1 91 . 4 1 1 A 19 19 CYS N N 19 122.300 119.383 2.917 1
1 92 . 4 1 1 A 20 20 ILE C C 20 175.200 175.231 -0.031 1
1 93 . 4 1 1 A 20 20 ILE CA C 20 61.350 61.420 -0.070 1
1 94 . 4 1 1 A 20 20 ILE CB C 20 37.600 37.963 -0.363 1
1 98 . 4 1 1 A 20 20 ILE N N 20 123.600 125.258 -1.658 1
1 99 . 4 1 1 A 21 21 TYR C C 21 174.300 174.868 -0.568 1
1 100 . 4 1 1 A 21 21 TYR CA C 21 56.700 57.811 -1.111 1
1 101 . 4 1 1 A 21 21 TYR CB C 21 39.450 42.101 -2.651 1
1 103 . 4 1 1 A 21 21 TYR N N 21 125.500 126.840 -1.340 1
1 104 . 4 1 1 A 22 22 GLN C C 22 175.450 175.004 0.446 1
1 105 . 4 1 1 A 22 22 GLN CA C 22 55.850 56.589 -0.739 1
1 106 . 4 1 1 A 22 22 GLN CB C 22 25.550 27.540 -1.990 1
1 109 . 4 1 1 A 22 22 GLN N N 22 129.000 126.915 2.085 1
1 110 . 4 1 1 A 23 23 GLY C C 23 172.000 173.824 -1.824 1
1 111 . 4 1 1 A 23 23 GLY CA C 23 45.700 45.360 0.340 1
1 112 . 4 1 1 A 23 23 GLY N N 23 103.400 105.332 -1.932 1
1 113 . 4 1 1 A 24 24 ARG C C 24 173.700 175.734 -2.034 1
1 114 . 4 1 1 A 24 24 ARG CA C 24 53.400 55.301 -1.901 1
1 115 . 4 1 1 A 24 24 ARG CB C 24 34.100 31.983 2.117 1
1 118 . 4 1 1 A 24 24 ARG N N 24 118.400 120.549 -2.149 1
1 119 . 4 1 1 A 25 25 LEU C C 25 176.100 176.356 -0.256 1
1 120 . 4 1 1 A 25 25 LEU CA C 25 53.350 54.498 -1.148 1
1 121 . 4 1 1 A 25 25 LEU CB C 25 42.900 42.426 0.474 1
1 125 . 4 1 1 A 25 25 LEU N N 25 120.200 123.331 -3.131 1
1 126 . 4 1 1 A 26 26 TRP C C 26 177.000 175.956 1.044 1
1 127 . 4 1 1 A 26 26 TRP CA C 26 53.750 56.149 -2.399 1
1 128 . 4 1 1 A 26 26 TRP CB C 26 30.700 29.596 1.104 1
1 129 . 4 1 1 A 26 26 TRP N N 26 120.700 126.629 -5.929 1
1 130 . 4 1 1 A 27 27 ALA C C 27 174.700 176.779 -2.079 1
1 131 . 4 1 1 A 27 27 ALA CA C 27 52.850 52.668 0.182 1
1 132 . 4 1 1 A 27 27 ALA CB C 27 18.600 19.170 -0.570 1
1 133 . 4 1 1 A 27 27 ALA N N 27 127.100 129.567 -2.467 1
1 134 . 4 1 1 A 28 28 PHE CA C 28 58.350 57.196 1.154 1
1 135 . 4 1 1 A 28 28 PHE CB C 28 41.550 38.940 2.610 1
1 137 . 4 1 1 A 28 28 PHE N N 28 123.800 122.683 1.117 1
1 138 . 4 1 1 A 29 29 CYS C C 29 174.400 174.328 0.072 1
1 139 . 4 1 1 A 29 29 CYS CA C 29 54.650 58.028 -3.378 1
1 140 . 4 1 1 A 29 29 CYS CB C 29 40.450 31.343 9.107 1
1 141 . 4 1 1 A 29 29 CYS N N 29 121.900 125.125 -3.225 1
1 5 . 5 1 1 A 2 2 CYS C C 2 173.100 172.757 0.343 1
1 6 . 5 1 1 A 2 2 CYS CA C 2 54.900 57.365 -2.465 1
1 7 . 5 1 1 A 2 2 CYS CB C 2 48.400 30.396 18.004 1
1 8 . 5 1 1 A 2 2 CYS N N 2 117.800 118.670 -0.870 1
1 9 . 5 1 1 A 3 3 TYR C C 3 174.300 175.325 -1.025 1
1 10 . 5 1 1 A 3 3 TYR CA C 3 56.350 56.968 -0.618 1
1 11 . 5 1 1 A 3 3 TYR CB C 3 43.400 42.494 0.906 1
1 12 . 5 1 1 A 3 3 TYR N N 3 117.600 120.068 -2.468 1
1 13 . 5 1 1 A 4 4 CYS C C 4 173.100 174.179 -1.079 1
1 14 . 5 1 1 A 4 4 CYS CA C 4 54.350 58.290 -3.940 1
1 15 . 5 1 1 A 4 4 CYS CB C 4 46.200 29.596 16.604 1
1 16 . 5 1 1 A 4 4 CYS N N 4 130.600 122.250 8.350 1
1 17 . 5 1 1 A 5 5 ARG C C 5 175.350 176.021 -0.671 1
1 18 . 5 1 1 A 5 5 ARG CA C 5 55.800 55.458 0.342 1
1 19 . 5 1 1 A 5 5 ARG CB C 5 35.600 30.981 4.619 1
1 23 . 5 1 1 A 5 5 ARG N N 5 123.100 122.722 0.378 1
1 24 . 5 1 1 A 6 6 ILE C C 6 174.300 173.884 0.416 1
1 25 . 5 1 1 A 6 6 ILE CA C 6 58.150 57.206 0.944 1
1 26 . 5 1 1 A 6 6 ILE CB C 6 42.850 40.900 1.950 1
1 30 . 5 1 1 A 6 6 ILE N N 6 122.300 121.091 1.209 1
1 31 . 5 1 1 A 7 7 PRO C C 7 174.350 176.036 -1.686 1
1 32 . 5 1 1 A 7 7 PRO CA C 7 63.950 62.894 1.056 1
1 33 . 5 1 1 A 7 7 PRO CB C 7 34.600 30.599 4.001 1
1 36 . 5 1 1 A 7 7 PRO N N 7 134.400 141.747 -7.347 1
1 37 . 5 1 1 A 8 8 ALA C C 8 174.750 176.232 -1.482 1
1 38 . 5 1 1 A 8 8 ALA CA C 8 50.550 50.845 -0.295 1
1 39 . 5 1 1 A 8 8 ALA CB C 8 22.200 21.137 1.063 1
1 40 . 5 1 1 A 8 8 ALA N N 8 122.600 124.481 -1.881 1
1 41 . 5 1 1 A 9 9 CYS C C 9 174.700 174.521 0.179 1
1 42 . 5 1 1 A 9 9 CYS CA C 9 52.500 58.761 -6.261 1
1 43 . 5 1 1 A 9 9 CYS CB C 9 35.200 26.606 8.594 1
1 44 . 5 1 1 A 9 9 CYS N N 9 115.600 116.283 -0.683 1
1 45 . 5 1 1 A 10 10 ILE C C 10 175.100 176.103 -1.003 1
1 46 . 5 1 1 A 10 10 ILE CA C 10 59.600 63.948 -4.348 1
1 47 . 5 1 1 A 10 10 ILE CB C 10 39.200 37.695 1.505 1
1 51 . 5 1 1 A 10 10 ILE N N 10 115.400 127.425 -12.025 1
1 52 . 5 1 1 A 11 11 ALA C C 11 177.050 177.612 -0.562 1
1 53 . 5 1 1 A 11 11 ALA CA C 11 53.500 51.435 2.065 1
1 54 . 5 1 1 A 11 11 ALA CB C 11 18.250 20.028 -1.778 1
1 55 . 5 1 1 A 11 11 ALA N N 11 121.900 123.649 -1.749 1
1 56 . 5 1 1 A 12 12 GLY C C 12 174.500 173.807 0.693 1
1 57 . 5 1 1 A 12 12 GLY CA C 12 44.250 47.193 -2.943 1
1 58 . 5 1 1 A 12 12 GLY N N 12 109.600 106.249 3.351 1
1 59 . 5 1 1 A 13 13 GLU C C 13 175.300 175.561 -0.261 1
1 60 . 5 1 1 A 13 13 GLU CA C 13 54.100 55.235 -1.135 1
1 61 . 5 1 1 A 13 13 GLU CB C 13 33.100 31.731 1.369 1
1 64 . 5 1 1 A 13 13 GLU N N 13 121.300 125.053 -3.753 1
1 65 . 5 1 1 A 14 14 ARG C C 14 173.100 176.187 -3.087 1
1 66 . 5 1 1 A 14 14 ARG CA C 14 54.400 54.687 -0.287 1
1 67 . 5 1 1 A 14 14 ARG N N 14 130.600 123.077 7.523 1
1 68 . 5 1 1 A 15 15 ARG C C 15 177.000 176.463 0.537 1
1 69 . 5 1 1 A 15 15 ARG CA C 15 56.300 56.539 -0.239 1
1 70 . 5 1 1 A 15 15 ARG CB C 15 30.000 30.740 -0.740 1
1 74 . 5 1 1 A 15 15 ARG N N 15 122.800 121.103 1.697 1
1 75 . 5 1 1 A 16 16 TYR C C 16 175.200 175.705 -0.505 1
1 76 . 5 1 1 A 16 16 TYR CA C 16 58.000 60.094 -2.094 1
1 77 . 5 1 1 A 16 16 TYR CB C 16 40.200 39.782 0.418 1
1 79 . 5 1 1 A 16 16 TYR N N 16 128.100 122.588 5.512 1
1 80 . 5 1 1 A 17 17 GLY C C 17 173.750 172.204 1.546 1
1 81 . 5 1 1 A 17 17 GLY CA C 17 46.700 45.849 0.851 1
1 82 . 5 1 1 A 17 17 GLY N N 17 107.300 107.068 0.232 1
1 83 . 5 1 1 A 18 18 THR C C 18 173.400 173.377 0.023 1
1 84 . 5 1 1 A 18 18 THR CA C 18 61.100 62.065 -0.965 1
1 85 . 5 1 1 A 18 18 THR CB C 18 71.300 69.467 1.833 1
1 87 . 5 1 1 A 18 18 THR N N 18 124.200 118.972 5.228 1
1 88 . 5 1 1 A 19 19 CYS C C 19 173.400 172.963 0.437 1
1 89 . 5 1 1 A 19 19 CYS CA C 19 53.250 57.656 -4.406 1
1 90 . 5 1 1 A 19 19 CYS CB C 19 44.750 30.522 14.228 1
1 91 . 5 1 1 A 19 19 CYS N N 19 122.300 126.243 -3.943 1
1 92 . 5 1 1 A 20 20 ILE C C 20 175.200 175.092 0.108 1
1 93 . 5 1 1 A 20 20 ILE CA C 20 61.350 60.680 0.670 1
1 94 . 5 1 1 A 20 20 ILE CB C 20 37.600 38.624 -1.024 1
1 98 . 5 1 1 A 20 20 ILE N N 20 123.600 126.463 -2.863 1
1 99 . 5 1 1 A 21 21 TYR C C 21 174.300 174.917 -0.617 1
1 100 . 5 1 1 A 21 21 TYR CA C 21 56.700 57.724 -1.024 1
1 101 . 5 1 1 A 21 21 TYR CB C 21 39.450 41.514 -2.064 1
1 103 . 5 1 1 A 21 21 TYR N N 21 125.500 126.436 -0.936 1
1 104 . 5 1 1 A 22 22 GLN C C 22 175.450 176.137 -0.687 1
1 105 . 5 1 1 A 22 22 GLN CA C 22 55.850 56.677 -0.827 1
1 106 . 5 1 1 A 22 22 GLN CB C 22 25.550 26.805 -1.255 1
1 109 . 5 1 1 A 22 22 GLN N N 22 129.000 127.401 1.599 1
1 110 . 5 1 1 A 23 23 GLY C C 23 172.000 174.242 -2.242 1
1 111 . 5 1 1 A 23 23 GLY CA C 23 45.700 45.947 -0.247 1
1 112 . 5 1 1 A 23 23 GLY N N 23 103.400 104.799 -1.399 1
1 113 . 5 1 1 A 24 24 ARG C C 24 173.700 175.498 -1.798 1
1 114 . 5 1 1 A 24 24 ARG CA C 24 53.400 54.933 -1.533 1
1 115 . 5 1 1 A 24 24 ARG CB C 24 34.100 31.757 2.343 1
1 118 . 5 1 1 A 24 24 ARG N N 24 118.400 121.588 -3.188 1
1 119 . 5 1 1 A 25 25 LEU C C 25 176.100 176.641 -0.541 1
1 120 . 5 1 1 A 25 25 LEU CA C 25 53.350 53.525 -0.175 1
1 121 . 5 1 1 A 25 25 LEU CB C 25 42.900 43.732 -0.832 1
1 125 . 5 1 1 A 25 25 LEU N N 25 120.200 126.069 -5.869 1
1 126 . 5 1 1 A 26 26 TRP C C 26 177.000 174.399 2.601 1
1 127 . 5 1 1 A 26 26 TRP CA C 26 53.750 54.278 -0.528 1
1 128 . 5 1 1 A 26 26 TRP CB C 26 30.700 32.832 -2.132 1
1 129 . 5 1 1 A 26 26 TRP N N 26 120.700 119.341 1.359 1
1 130 . 5 1 1 A 27 27 ALA C C 27 174.700 176.760 -2.060 1
1 131 . 5 1 1 A 27 27 ALA CA C 27 52.850 49.903 2.947 1
1 132 . 5 1 1 A 27 27 ALA CB C 27 18.600 22.789 -4.189 1
1 133 . 5 1 1 A 27 27 ALA N N 27 127.100 123.070 4.030 1
1 134 . 5 1 1 A 28 28 PHE CA C 28 58.350 58.257 0.093 1
1 135 . 5 1 1 A 28 28 PHE CB C 28 41.550 38.833 2.717 1
1 137 . 5 1 1 A 28 28 PHE N N 28 123.800 119.090 4.710 1
1 138 . 5 1 1 A 29 29 CYS C C 29 174.400 173.392 1.008 1
1 139 . 5 1 1 A 29 29 CYS CA C 29 54.650 57.883 -3.233 1
1 140 . 5 1 1 A 29 29 CYS CB C 29 40.450 31.254 9.196 1
1 141 . 5 1 1 A 29 29 CYS N N 29 121.900 123.526 -1.626 1
1 5 . 6 1 1 A 2 2 CYS C C 2 173.100 172.341 0.759 1
1 6 . 6 1 1 A 2 2 CYS CA C 2 54.900 57.158 -2.258 1
1 7 . 6 1 1 A 2 2 CYS CB C 2 48.400 31.209 17.191 1
1 8 . 6 1 1 A 2 2 CYS N N 2 117.800 116.454 1.346 1
1 9 . 6 1 1 A 3 3 TYR C C 3 174.300 174.268 0.032 1
1 10 . 6 1 1 A 3 3 TYR CA C 3 56.350 55.864 0.486 1
1 11 . 6 1 1 A 3 3 TYR CB C 3 43.400 37.618 5.782 1
1 12 . 6 1 1 A 3 3 TYR N N 3 117.600 121.878 -4.278 1
1 13 . 6 1 1 A 4 4 CYS C C 4 173.100 172.419 0.681 1
1 14 . 6 1 1 A 4 4 CYS CA C 4 54.350 58.148 -3.798 1
1 15 . 6 1 1 A 4 4 CYS CB C 4 46.200 32.409 13.791 1
1 16 . 6 1 1 A 4 4 CYS N N 4 130.600 121.553 9.047 1
1 17 . 6 1 1 A 5 5 ARG C C 5 175.350 175.583 -0.233 1
1 18 . 6 1 1 A 5 5 ARG CA C 5 55.800 55.173 0.627 1
1 19 . 6 1 1 A 5 5 ARG CB C 5 35.600 31.789 3.811 1
1 23 . 6 1 1 A 5 5 ARG N N 5 123.100 123.055 0.045 1
1 24 . 6 1 1 A 6 6 ILE C C 6 174.300 175.925 -1.625 1
1 25 . 6 1 1 A 6 6 ILE CA C 6 58.150 57.517 0.633 1
1 26 . 6 1 1 A 6 6 ILE CB C 6 42.850 39.182 3.668 1
1 30 . 6 1 1 A 6 6 ILE N N 6 122.300 124.528 -2.228 1
1 31 . 6 1 1 A 7 7 PRO C C 7 174.350 176.170 -1.820 1
1 32 . 6 1 1 A 7 7 PRO CA C 7 63.950 64.359 -0.409 1
1 33 . 6 1 1 A 7 7 PRO CB C 7 34.600 32.001 2.599 1
1 36 . 6 1 1 A 7 7 PRO N N 7 134.400 137.432 -3.032 1
1 37 . 6 1 1 A 8 8 ALA C C 8 174.750 176.605 -1.855 1
1 38 . 6 1 1 A 8 8 ALA CA C 8 50.550 51.194 -0.644 1
1 39 . 6 1 1 A 8 8 ALA CB C 8 22.200 20.408 1.792 1
1 40 . 6 1 1 A 8 8 ALA N N 8 122.600 119.639 2.961 1
1 41 . 6 1 1 A 9 9 CYS C C 9 174.700 175.960 -1.260 1
1 42 . 6 1 1 A 9 9 CYS CA C 9 52.500 58.946 -6.446 1
1 43 . 6 1 1 A 9 9 CYS CB C 9 35.200 28.888 6.312 1
1 44 . 6 1 1 A 9 9 CYS N N 9 115.600 119.390 -3.790 1
1 45 . 6 1 1 A 10 10 ILE C C 10 175.100 176.017 -0.917 1
1 46 . 6 1 1 A 10 10 ILE CA C 10 59.600 65.341 -5.741 1
1 47 . 6 1 1 A 10 10 ILE CB C 10 39.200 38.211 0.989 1
1 51 . 6 1 1 A 10 10 ILE N N 10 115.400 121.253 -5.853 1
1 52 . 6 1 1 A 11 11 ALA C C 11 177.050 178.253 -1.203 1
1 53 . 6 1 1 A 11 11 ALA CA C 11 53.500 51.564 1.936 1
1 54 . 6 1 1 A 11 11 ALA CB C 11 18.250 20.805 -2.555 1
1 55 . 6 1 1 A 11 11 ALA N N 11 121.900 123.374 -1.474 1
1 56 . 6 1 1 A 12 12 GLY C C 12 174.500 173.460 1.040 1
1 57 . 6 1 1 A 12 12 GLY CA C 12 44.250 45.629 -1.379 1
1 58 . 6 1 1 A 12 12 GLY N N 12 109.600 110.354 -0.754 1
1 59 . 6 1 1 A 13 13 GLU C C 13 175.300 173.718 1.582 1
1 60 . 6 1 1 A 13 13 GLU CA C 13 54.100 55.225 -1.125 1
1 61 . 6 1 1 A 13 13 GLU CB C 13 33.100 31.888 1.212 1
1 64 . 6 1 1 A 13 13 GLU N N 13 121.300 115.574 5.726 1
1 65 . 6 1 1 A 14 14 ARG C C 14 173.100 174.276 -1.176 1
1 66 . 6 1 1 A 14 14 ARG CA C 14 54.400 54.048 0.352 1
1 67 . 6 1 1 A 14 14 ARG N N 14 130.600 119.120 11.480 1
1 68 . 6 1 1 A 15 15 ARG C C 15 177.000 174.576 2.424 1
1 69 . 6 1 1 A 15 15 ARG CA C 15 56.300 55.469 0.831 1
1 70 . 6 1 1 A 15 15 ARG CB C 15 30.000 30.590 -0.590 1
1 74 . 6 1 1 A 15 15 ARG N N 15 122.800 122.188 0.612 1
1 75 . 6 1 1 A 16 16 TYR C C 16 175.200 175.833 -0.633 1
1 76 . 6 1 1 A 16 16 TYR CA C 16 58.000 59.475 -1.475 1
1 77 . 6 1 1 A 16 16 TYR CB C 16 40.200 39.352 0.848 1
1 79 . 6 1 1 A 16 16 TYR N N 16 128.100 125.854 2.246 1
1 80 . 6 1 1 A 17 17 GLY C C 17 173.750 172.358 1.392 1
1 81 . 6 1 1 A 17 17 GLY CA C 17 46.700 45.747 0.953 1
1 82 . 6 1 1 A 17 17 GLY N N 17 107.300 107.318 -0.018 1
1 83 . 6 1 1 A 18 18 THR C C 18 173.400 173.556 -0.156 1
1 84 . 6 1 1 A 18 18 THR CA C 18 61.100 60.643 0.457 1
1 85 . 6 1 1 A 18 18 THR CB C 18 71.300 70.832 0.468 1
1 87 . 6 1 1 A 18 18 THR N N 18 124.200 119.178 5.022 1
1 88 . 6 1 1 A 19 19 CYS C C 19 173.400 173.794 -0.394 1
1 89 . 6 1 1 A 19 19 CYS CA C 19 53.250 57.206 -3.956 1
1 90 . 6 1 1 A 19 19 CYS CB C 19 44.750 29.585 15.165 1
1 91 . 6 1 1 A 19 19 CYS N N 19 122.300 128.345 -6.045 1
1 92 . 6 1 1 A 20 20 ILE C C 20 175.200 174.886 0.314 1
1 93 . 6 1 1 A 20 20 ILE CA C 20 61.350 60.798 0.552 1
1 94 . 6 1 1 A 20 20 ILE CB C 20 37.600 37.128 0.472 1
1 98 . 6 1 1 A 20 20 ILE N N 20 123.600 125.983 -2.383 1
1 99 . 6 1 1 A 21 21 TYR C C 21 174.300 174.953 -0.653 1
1 100 . 6 1 1 A 21 21 TYR CA C 21 56.700 57.781 -1.081 1
1 101 . 6 1 1 A 21 21 TYR CB C 21 39.450 41.525 -2.075 1
1 103 . 6 1 1 A 21 21 TYR N N 21 125.500 127.439 -1.939 1
1 104 . 6 1 1 A 22 22 GLN C C 22 175.450 175.967 -0.517 1
1 105 . 6 1 1 A 22 22 GLN CA C 22 55.850 56.701 -0.851 1
1 106 . 6 1 1 A 22 22 GLN CB C 22 25.550 26.616 -1.066 1
1 109 . 6 1 1 A 22 22 GLN N N 22 129.000 127.571 1.429 1
1 110 . 6 1 1 A 23 23 GLY C C 23 172.000 173.911 -1.911 1
1 111 . 6 1 1 A 23 23 GLY CA C 23 45.700 45.856 -0.156 1
1 112 . 6 1 1 A 23 23 GLY N N 23 103.400 105.088 -1.688 1
1 113 . 6 1 1 A 24 24 ARG C C 24 173.700 175.059 -1.359 1
1 114 . 6 1 1 A 24 24 ARG CA C 24 53.400 54.606 -1.206 1
1 115 . 6 1 1 A 24 24 ARG CB C 24 34.100 32.602 1.498 1
1 118 . 6 1 1 A 24 24 ARG N N 24 118.400 119.739 -1.339 1
1 119 . 6 1 1 A 25 25 LEU C C 25 176.100 176.849 -0.749 1
1 120 . 6 1 1 A 25 25 LEU CA C 25 53.350 54.648 -1.298 1
1 121 . 6 1 1 A 25 25 LEU CB C 25 42.900 42.572 0.328 1
1 125 . 6 1 1 A 25 25 LEU N N 25 120.200 124.266 -4.066 1
1 126 . 6 1 1 A 26 26 TRP C C 26 177.000 175.048 1.952 1
1 127 . 6 1 1 A 26 26 TRP CA C 26 53.750 55.517 -1.767 1
1 128 . 6 1 1 A 26 26 TRP CB C 26 30.700 30.947 -0.247 1
1 129 . 6 1 1 A 26 26 TRP N N 26 120.700 124.990 -4.290 1
1 130 . 6 1 1 A 27 27 ALA C C 27 174.700 176.821 -2.121 1
1 131 . 6 1 1 A 27 27 ALA CA C 27 52.850 50.828 2.022 1
1 132 . 6 1 1 A 27 27 ALA CB C 27 18.600 20.891 -2.291 1
1 133 . 6 1 1 A 27 27 ALA N N 27 127.100 130.976 -3.876 1
1 134 . 6 1 1 A 28 28 PHE CA C 28 58.350 56.959 1.391 1
1 135 . 6 1 1 A 28 28 PHE CB C 28 41.550 39.139 2.411 1
1 137 . 6 1 1 A 28 28 PHE N N 28 123.800 122.031 1.769 1
1 138 . 6 1 1 A 29 29 CYS C C 29 174.400 174.911 -0.511 1
1 139 . 6 1 1 A 29 29 CYS CA C 29 54.650 57.826 -3.176 1
1 140 . 6 1 1 A 29 29 CYS CB C 29 40.450 29.134 11.316 1
1 141 . 6 1 1 A 29 29 CYS N N 29 121.900 124.924 -3.024 1
1 5 . 7 1 1 A 2 2 CYS C C 2 173.100 174.054 -0.954 1
1 6 . 7 1 1 A 2 2 CYS CA C 2 54.900 57.488 -2.588 1
1 7 . 7 1 1 A 2 2 CYS CB C 2 48.400 29.114 19.286 1
1 8 . 7 1 1 A 2 2 CYS N N 2 117.800 117.258 0.542 1
1 9 . 7 1 1 A 3 3 TYR C C 3 174.300 174.774 -0.474 1
1 10 . 7 1 1 A 3 3 TYR CA C 3 56.350 57.364 -1.014 1
1 11 . 7 1 1 A 3 3 TYR CB C 3 43.400 39.908 3.492 1
1 12 . 7 1 1 A 3 3 TYR N N 3 117.600 122.173 -4.573 1
1 13 . 7 1 1 A 4 4 CYS C C 4 173.100 173.668 -0.568 1
1 14 . 7 1 1 A 4 4 CYS CA C 4 54.350 57.160 -2.810 1
1 15 . 7 1 1 A 4 4 CYS CB C 4 46.200 29.623 16.577 1
1 16 . 7 1 1 A 4 4 CYS N N 4 130.600 120.118 10.482 1
1 17 . 7 1 1 A 5 5 ARG C C 5 175.350 175.659 -0.309 1
1 18 . 7 1 1 A 5 5 ARG CA C 5 55.800 55.183 0.617 1
1 19 . 7 1 1 A 5 5 ARG CB C 5 35.600 31.215 4.385 1
1 23 . 7 1 1 A 5 5 ARG N N 5 123.100 123.704 -0.604 1
1 24 . 7 1 1 A 6 6 ILE C C 6 174.300 174.151 0.149 1
1 25 . 7 1 1 A 6 6 ILE CA C 6 58.150 57.066 1.084 1
1 26 . 7 1 1 A 6 6 ILE CB C 6 42.850 40.664 2.186 1
1 30 . 7 1 1 A 6 6 ILE N N 6 122.300 121.326 0.974 1
1 31 . 7 1 1 A 7 7 PRO C C 7 174.350 176.043 -1.693 1
1 32 . 7 1 1 A 7 7 PRO CA C 7 63.950 63.002 0.948 1
1 33 . 7 1 1 A 7 7 PRO CB C 7 34.600 31.271 3.329 1
1 36 . 7 1 1 A 7 7 PRO N N 7 134.400 141.332 -6.932 1
1 37 . 7 1 1 A 8 8 ALA C C 8 174.750 176.191 -1.441 1
1 38 . 7 1 1 A 8 8 ALA CA C 8 50.550 50.796 -0.246 1
1 39 . 7 1 1 A 8 8 ALA CB C 8 22.200 21.098 1.102 1
1 40 . 7 1 1 A 8 8 ALA N N 8 122.600 124.812 -2.212 1
1 41 . 7 1 1 A 9 9 CYS C C 9 174.700 174.987 -0.287 1
1 42 . 7 1 1 A 9 9 CYS CA C 9 52.500 58.821 -6.321 1
1 43 . 7 1 1 A 9 9 CYS CB C 9 35.200 26.675 8.525 1
1 44 . 7 1 1 A 9 9 CYS N N 9 115.600 116.198 -0.598 1
1 45 . 7 1 1 A 10 10 ILE C C 10 175.100 177.145 -2.045 1
1 46 . 7 1 1 A 10 10 ILE CA C 10 59.600 64.040 -4.440 1
1 47 . 7 1 1 A 10 10 ILE CB C 10 39.200 37.792 1.408 1
1 51 . 7 1 1 A 10 10 ILE N N 10 115.400 124.225 -8.825 1
1 52 . 7 1 1 A 11 11 ALA C C 11 177.050 178.591 -1.541 1
1 53 . 7 1 1 A 11 11 ALA CA C 11 53.500 53.155 0.345 1
1 54 . 7 1 1 A 11 11 ALA CB C 11 18.250 20.102 -1.852 1
1 55 . 7 1 1 A 11 11 ALA N N 11 121.900 124.092 -2.192 1
1 56 . 7 1 1 A 12 12 GLY C C 12 174.500 173.139 1.361 1
1 57 . 7 1 1 A 12 12 GLY CA C 12 44.250 45.346 -1.096 1
1 58 . 7 1 1 A 12 12 GLY N N 12 109.600 110.042 -0.442 1
1 59 . 7 1 1 A 13 13 GLU C C 13 175.300 174.112 1.188 1
1 60 . 7 1 1 A 13 13 GLU CA C 13 54.100 55.464 -1.364 1
1 61 . 7 1 1 A 13 13 GLU CB C 13 33.100 33.358 -0.258 1
1 64 . 7 1 1 A 13 13 GLU N N 13 121.300 120.386 0.914 1
1 65 . 7 1 1 A 14 14 ARG C C 14 173.100 175.729 -2.629 1
1 66 . 7 1 1 A 14 14 ARG CA C 14 54.400 54.183 0.217 1
1 67 . 7 1 1 A 14 14 ARG N N 14 130.600 124.100 6.500 1
1 68 . 7 1 1 A 15 15 ARG C C 15 177.000 175.765 1.235 1
1 69 . 7 1 1 A 15 15 ARG CA C 15 56.300 55.559 0.741 1
1 70 . 7 1 1 A 15 15 ARG CB C 15 30.000 31.312 -1.312 1
1 74 . 7 1 1 A 15 15 ARG N N 15 122.800 120.980 1.820 1
1 75 . 7 1 1 A 16 16 TYR C C 16 175.200 176.532 -1.332 1
1 76 . 7 1 1 A 16 16 TYR CA C 16 58.000 60.150 -2.150 1
1 77 . 7 1 1 A 16 16 TYR CB C 16 40.200 39.815 0.385 1
1 79 . 7 1 1 A 16 16 TYR N N 16 128.100 121.028 7.072 1
1 80 . 7 1 1 A 17 17 GLY C C 17 173.750 172.276 1.474 1
1 81 . 7 1 1 A 17 17 GLY CA C 17 46.700 44.533 2.167 1
1 82 . 7 1 1 A 17 17 GLY N N 17 107.300 105.851 1.449 1
1 83 . 7 1 1 A 18 18 THR C C 18 173.400 172.556 0.844 1
1 84 . 7 1 1 A 18 18 THR CA C 18 61.100 60.159 0.941 1
1 85 . 7 1 1 A 18 18 THR CB C 18 71.300 71.363 -0.063 1
1 87 . 7 1 1 A 18 18 THR N N 18 124.200 115.102 9.098 1
1 88 . 7 1 1 A 19 19 CYS C C 19 173.400 173.565 -0.165 1
1 89 . 7 1 1 A 19 19 CYS CA C 19 53.250 57.146 -3.896 1
1 90 . 7 1 1 A 19 19 CYS CB C 19 44.750 29.451 15.299 1
1 91 . 7 1 1 A 19 19 CYS N N 19 122.300 127.674 -5.374 1
1 92 . 7 1 1 A 20 20 ILE C C 20 175.200 175.213 -0.013 1
1 93 . 7 1 1 A 20 20 ILE CA C 20 61.350 60.498 0.852 1
1 94 . 7 1 1 A 20 20 ILE CB C 20 37.600 37.949 -0.349 1
1 98 . 7 1 1 A 20 20 ILE N N 20 123.600 126.322 -2.722 1
1 99 . 7 1 1 A 21 21 TYR C C 21 174.300 174.752 -0.452 1
1 100 . 7 1 1 A 21 21 TYR CA C 21 56.700 58.091 -1.391 1
1 101 . 7 1 1 A 21 21 TYR CB C 21 39.450 41.895 -2.445 1
1 103 . 7 1 1 A 21 21 TYR N N 21 125.500 127.126 -1.626 1
1 104 . 7 1 1 A 22 22 GLN C C 22 175.450 175.105 0.345 1
1 105 . 7 1 1 A 22 22 GLN CA C 22 55.850 56.588 -0.738 1
1 106 . 7 1 1 A 22 22 GLN CB C 22 25.550 27.456 -1.906 1
1 109 . 7 1 1 A 22 22 GLN N N 22 129.000 126.799 2.201 1
1 110 . 7 1 1 A 23 23 GLY C C 23 172.000 173.842 -1.842 1
1 111 . 7 1 1 A 23 23 GLY CA C 23 45.700 45.691 0.009 1
1 112 . 7 1 1 A 23 23 GLY N N 23 103.400 105.320 -1.920 1
1 113 . 7 1 1 A 24 24 ARG C C 24 173.700 175.340 -1.640 1
1 114 . 7 1 1 A 24 24 ARG CA C 24 53.400 54.541 -1.141 1
1 115 . 7 1 1 A 24 24 ARG CB C 24 34.100 32.823 1.277 1
1 118 . 7 1 1 A 24 24 ARG N N 24 118.400 119.605 -1.205 1
1 119 . 7 1 1 A 25 25 LEU C C 25 176.100 175.867 0.233 1
1 120 . 7 1 1 A 25 25 LEU CA C 25 53.350 53.749 -0.399 1
1 121 . 7 1 1 A 25 25 LEU CB C 25 42.900 43.731 -0.831 1
1 125 . 7 1 1 A 25 25 LEU N N 25 120.200 122.767 -2.567 1
1 126 . 7 1 1 A 26 26 TRP C C 26 177.000 174.876 2.124 1
1 127 . 7 1 1 A 26 26 TRP CA C 26 53.750 55.370 -1.620 1
1 128 . 7 1 1 A 26 26 TRP CB C 26 30.700 31.448 -0.748 1
1 129 . 7 1 1 A 26 26 TRP N N 26 120.700 124.822 -4.122 1
1 130 . 7 1 1 A 27 27 ALA C C 27 174.700 176.337 -1.637 1
1 131 . 7 1 1 A 27 27 ALA CA C 27 52.850 49.947 2.903 1
1 132 . 7 1 1 A 27 27 ALA CB C 27 18.600 22.368 -3.768 1
1 133 . 7 1 1 A 27 27 ALA N N 27 127.100 130.485 -3.385 1
1 134 . 7 1 1 A 28 28 PHE CA C 28 58.350 57.531 0.819 1
1 135 . 7 1 1 A 28 28 PHE CB C 28 41.550 38.821 2.729 1
1 137 . 7 1 1 A 28 28 PHE N N 28 123.800 120.231 3.569 1
1 138 . 7 1 1 A 29 29 CYS C C 29 174.400 173.096 1.304 1
1 139 . 7 1 1 A 29 29 CYS CA C 29 54.650 56.970 -2.320 1
1 140 . 7 1 1 A 29 29 CYS CB C 29 40.450 30.411 10.039 1
1 141 . 7 1 1 A 29 29 CYS N N 29 121.900 124.168 -2.268 1
1 5 . 8 1 1 A 2 2 CYS C C 2 173.100 174.067 -0.967 1
1 6 . 8 1 1 A 2 2 CYS CA C 2 54.900 57.381 -2.481 1
1 7 . 8 1 1 A 2 2 CYS CB C 2 48.400 29.251 19.149 1
1 8 . 8 1 1 A 2 2 CYS N N 2 117.800 117.401 0.399 1
1 9 . 8 1 1 A 3 3 TYR C C 3 174.300 176.092 -1.792 1
1 10 . 8 1 1 A 3 3 TYR CA C 3 56.350 57.604 -1.254 1
1 11 . 8 1 1 A 3 3 TYR CB C 3 43.400 40.393 3.007 1
1 12 . 8 1 1 A 3 3 TYR N N 3 117.600 123.430 -5.830 1
1 13 . 8 1 1 A 4 4 CYS C C 4 173.100 174.677 -1.577 1
1 14 . 8 1 1 A 4 4 CYS CA C 4 54.350 58.223 -3.873 1
1 15 . 8 1 1 A 4 4 CYS CB C 4 46.200 29.398 16.802 1
1 16 . 8 1 1 A 4 4 CYS N N 4 130.600 121.661 8.939 1
1 17 . 8 1 1 A 5 5 ARG C C 5 175.350 175.009 0.341 1
1 18 . 8 1 1 A 5 5 ARG CA C 5 55.800 54.008 1.792 1
1 19 . 8 1 1 A 5 5 ARG CB C 5 35.600 33.625 1.975 1
1 23 . 8 1 1 A 5 5 ARG N N 5 123.100 123.538 -0.438 1
1 24 . 8 1 1 A 6 6 ILE C C 6 174.300 174.482 -0.182 1
1 25 . 8 1 1 A 6 6 ILE CA C 6 58.150 57.605 0.545 1
1 26 . 8 1 1 A 6 6 ILE CB C 6 42.850 38.371 4.479 1
1 30 . 8 1 1 A 6 6 ILE N N 6 122.300 119.076 3.224 1
1 31 . 8 1 1 A 7 7 PRO C C 7 174.350 175.591 -1.241 1
1 32 . 8 1 1 A 7 7 PRO CA C 7 63.950 62.999 0.951 1
1 33 . 8 1 1 A 7 7 PRO CB C 7 34.600 31.454 3.146 1
1 36 . 8 1 1 A 7 7 PRO N N 7 134.400 137.902 -3.502 1
1 37 . 8 1 1 A 8 8 ALA C C 8 174.750 176.196 -1.446 1
1 38 . 8 1 1 A 8 8 ALA CA C 8 50.550 52.016 -1.466 1
1 39 . 8 1 1 A 8 8 ALA CB C 8 22.200 20.796 1.404 1
1 40 . 8 1 1 A 8 8 ALA N N 8 122.600 125.078 -2.478 1
1 41 . 8 1 1 A 9 9 CYS C C 9 174.700 174.596 0.104 1
1 42 . 8 1 1 A 9 9 CYS CA C 9 52.500 58.172 -5.672 1
1 43 . 8 1 1 A 9 9 CYS CB C 9 35.200 25.830 9.370 1
1 44 . 8 1 1 A 9 9 CYS N N 9 115.600 123.828 -8.228 1
1 45 . 8 1 1 A 10 10 ILE C C 10 175.100 178.287 -3.187 1
1 46 . 8 1 1 A 10 10 ILE CA C 10 59.600 64.294 -4.694 1
1 47 . 8 1 1 A 10 10 ILE CB C 10 39.200 37.420 1.780 1
1 51 . 8 1 1 A 10 10 ILE N N 10 115.400 124.521 -9.121 1
1 52 . 8 1 1 A 11 11 ALA C C 11 177.050 177.706 -0.656 1
1 53 . 8 1 1 A 11 11 ALA CA C 11 53.500 52.764 0.736 1
1 54 . 8 1 1 A 11 11 ALA CB C 11 18.250 19.755 -1.505 1
1 55 . 8 1 1 A 11 11 ALA N N 11 121.900 121.625 0.275 1
1 56 . 8 1 1 A 12 12 GLY C C 12 174.500 173.634 0.866 1
1 57 . 8 1 1 A 12 12 GLY CA C 12 44.250 45.526 -1.276 1
1 58 . 8 1 1 A 12 12 GLY N N 12 109.600 106.057 3.543 1
1 59 . 8 1 1 A 13 13 GLU C C 13 175.300 174.473 0.827 1
1 60 . 8 1 1 A 13 13 GLU CA C 13 54.100 54.838 -0.738 1
1 61 . 8 1 1 A 13 13 GLU CB C 13 33.100 32.247 0.853 1
1 64 . 8 1 1 A 13 13 GLU N N 13 121.300 115.607 5.693 1
1 65 . 8 1 1 A 14 14 ARG C C 14 173.100 176.220 -3.120 1
1 66 . 8 1 1 A 14 14 ARG CA C 14 54.400 54.707 -0.307 1
1 67 . 8 1 1 A 14 14 ARG N N 14 130.600 120.712 9.888 1
1 68 . 8 1 1 A 15 15 ARG C C 15 177.000 174.901 2.099 1
1 69 . 8 1 1 A 15 15 ARG CA C 15 56.300 55.771 0.529 1
1 70 . 8 1 1 A 15 15 ARG CB C 15 30.000 31.095 -1.095 1
1 74 . 8 1 1 A 15 15 ARG N N 15 122.800 121.425 1.375 1
1 75 . 8 1 1 A 16 16 TYR C C 16 175.200 175.242 -0.042 1
1 76 . 8 1 1 A 16 16 TYR CA C 16 58.000 59.275 -1.275 1
1 77 . 8 1 1 A 16 16 TYR CB C 16 40.200 39.934 0.266 1
1 79 . 8 1 1 A 16 16 TYR N N 16 128.100 123.303 4.797 1
1 80 . 8 1 1 A 17 17 GLY C C 17 173.750 172.850 0.900 1
1 81 . 8 1 1 A 17 17 GLY CA C 17 46.700 46.330 0.370 1
1 82 . 8 1 1 A 17 17 GLY N N 17 107.300 106.837 0.463 1
1 83 . 8 1 1 A 18 18 THR C C 18 173.400 173.336 0.064 1
1 84 . 8 1 1 A 18 18 THR CA C 18 61.100 59.422 1.678 1
1 85 . 8 1 1 A 18 18 THR CB C 18 71.300 72.000 -0.700 1
1 87 . 8 1 1 A 18 18 THR N N 18 124.200 119.077 5.123 1
1 88 . 8 1 1 A 19 19 CYS C C 19 173.400 173.732 -0.332 1
1 89 . 8 1 1 A 19 19 CYS CA C 19 53.250 56.754 -3.504 1
1 90 . 8 1 1 A 19 19 CYS CB C 19 44.750 30.234 14.516 1
1 91 . 8 1 1 A 19 19 CYS N N 19 122.300 124.177 -1.877 1
1 92 . 8 1 1 A 20 20 ILE C C 20 175.200 174.372 0.828 1
1 93 . 8 1 1 A 20 20 ILE CA C 20 61.350 60.183 1.167 1
1 94 . 8 1 1 A 20 20 ILE CB C 20 37.600 38.307 -0.707 1
1 98 . 8 1 1 A 20 20 ILE N N 20 123.600 122.850 0.750 1
1 99 . 8 1 1 A 21 21 TYR C C 21 174.300 175.509 -1.209 1
1 100 . 8 1 1 A 21 21 TYR CA C 21 56.700 56.229 0.471 1
1 101 . 8 1 1 A 21 21 TYR CB C 21 39.450 41.641 -2.191 1
1 103 . 8 1 1 A 21 21 TYR N N 21 125.500 125.636 -0.136 1
1 104 . 8 1 1 A 22 22 GLN C C 22 175.450 176.077 -0.627 1
1 105 . 8 1 1 A 22 22 GLN CA C 22 55.850 57.116 -1.266 1
1 106 . 8 1 1 A 22 22 GLN CB C 22 25.550 27.019 -1.469 1
1 109 . 8 1 1 A 22 22 GLN N N 22 129.000 124.665 4.335 1
1 110 . 8 1 1 A 23 23 GLY C C 23 172.000 173.942 -1.942 1
1 111 . 8 1 1 A 23 23 GLY CA C 23 45.700 45.399 0.301 1
1 112 . 8 1 1 A 23 23 GLY N N 23 103.400 105.544 -2.144 1
1 113 . 8 1 1 A 24 24 ARG C C 24 173.700 175.931 -2.231 1
1 114 . 8 1 1 A 24 24 ARG CA C 24 53.400 55.175 -1.775 1
1 115 . 8 1 1 A 24 24 ARG CB C 24 34.100 31.793 2.307 1
1 118 . 8 1 1 A 24 24 ARG N N 24 118.400 120.381 -1.981 1
1 119 . 8 1 1 A 25 25 LEU C C 25 176.100 176.782 -0.682 1
1 120 . 8 1 1 A 25 25 LEU CA C 25 53.350 54.809 -1.459 1
1 121 . 8 1 1 A 25 25 LEU CB C 25 42.900 42.331 0.569 1
1 125 . 8 1 1 A 25 25 LEU N N 25 120.200 121.315 -1.115 1
1 126 . 8 1 1 A 26 26 TRP C C 26 177.000 176.139 0.861 1
1 127 . 8 1 1 A 26 26 TRP CA C 26 53.750 56.025 -2.275 1
1 128 . 8 1 1 A 26 26 TRP CB C 26 30.700 32.179 -1.479 1
1 129 . 8 1 1 A 26 26 TRP N N 26 120.700 124.436 -3.736 1
1 130 . 8 1 1 A 27 27 ALA C C 27 174.700 176.545 -1.845 1
1 131 . 8 1 1 A 27 27 ALA CA C 27 52.850 51.117 1.733 1
1 132 . 8 1 1 A 27 27 ALA CB C 27 18.600 19.868 -1.268 1
1 133 . 8 1 1 A 27 27 ALA N N 27 127.100 125.661 1.439 1
1 134 . 8 1 1 A 28 28 PHE CA C 28 58.350 57.138 1.212 1
1 135 . 8 1 1 A 28 28 PHE CB C 28 41.550 38.902 2.648 1
1 137 . 8 1 1 A 28 28 PHE N N 28 123.800 125.911 -2.111 1
1 138 . 8 1 1 A 29 29 CYS C C 29 174.400 174.072 0.328 1
1 139 . 8 1 1 A 29 29 CYS CA C 29 54.650 58.049 -3.399 1
1 140 . 8 1 1 A 29 29 CYS CB C 29 40.450 31.208 9.242 1
1 141 . 8 1 1 A 29 29 CYS N N 29 121.900 125.660 -3.760 1
1 5 . 9 1 1 A 2 2 CYS C C 2 173.100 173.299 -0.199 1
1 6 . 9 1 1 A 2 2 CYS CA C 2 54.900 57.612 -2.712 1
1 7 . 9 1 1 A 2 2 CYS CB C 2 48.400 29.209 19.191 1
1 8 . 9 1 1 A 2 2 CYS N N 2 117.800 121.571 -3.771 1
1 9 . 9 1 1 A 3 3 TYR C C 3 174.300 175.012 -0.712 1
1 10 . 9 1 1 A 3 3 TYR CA C 3 56.350 58.335 -1.985 1
1 11 . 9 1 1 A 3 3 TYR CB C 3 43.400 40.244 3.156 1
1 12 . 9 1 1 A 3 3 TYR N N 3 117.600 126.635 -9.035 1
1 13 . 9 1 1 A 4 4 CYS C C 4 173.100 174.263 -1.163 1
1 14 . 9 1 1 A 4 4 CYS CA C 4 54.350 57.618 -3.268 1
1 15 . 9 1 1 A 4 4 CYS CB C 4 46.200 29.060 17.140 1
1 16 . 9 1 1 A 4 4 CYS N N 4 130.600 123.147 7.453 1
1 17 . 9 1 1 A 5 5 ARG C C 5 175.350 174.201 1.149 1
1 18 . 9 1 1 A 5 5 ARG CA C 5 55.800 55.067 0.733 1
1 19 . 9 1 1 A 5 5 ARG CB C 5 35.600 33.289 2.311 1
1 23 . 9 1 1 A 5 5 ARG N N 5 123.100 123.991 -0.891 1
1 24 . 9 1 1 A 6 6 ILE C C 6 174.300 175.053 -0.753 1
1 25 . 9 1 1 A 6 6 ILE CA C 6 58.150 57.902 0.248 1
1 26 . 9 1 1 A 6 6 ILE CB C 6 42.850 37.807 5.043 1
1 30 . 9 1 1 A 6 6 ILE N N 6 122.300 118.668 3.632 1
1 31 . 9 1 1 A 7 7 PRO C C 7 174.350 175.230 -0.880 1
1 32 . 9 1 1 A 7 7 PRO CA C 7 63.950 63.101 0.849 1
1 33 . 9 1 1 A 7 7 PRO CB C 7 34.600 30.093 4.507 1
1 36 . 9 1 1 A 7 7 PRO N N 7 134.400 137.045 -2.645 1
1 37 . 9 1 1 A 8 8 ALA C C 8 174.750 176.222 -1.472 1
1 38 . 9 1 1 A 8 8 ALA CA C 8 50.550 52.245 -1.695 1
1 39 . 9 1 1 A 8 8 ALA CB C 8 22.200 20.581 1.619 1
1 40 . 9 1 1 A 8 8 ALA N N 8 122.600 122.221 0.379 1
1 41 . 9 1 1 A 9 9 CYS C C 9 174.700 174.740 -0.040 1
1 42 . 9 1 1 A 9 9 CYS CA C 9 52.500 59.211 -6.711 1
1 43 . 9 1 1 A 9 9 CYS CB C 9 35.200 29.635 5.565 1
1 44 . 9 1 1 A 9 9 CYS N N 9 115.600 122.209 -6.609 1
1 45 . 9 1 1 A 10 10 ILE C C 10 175.100 176.943 -1.843 1
1 46 . 9 1 1 A 10 10 ILE CA C 10 59.600 62.014 -2.414 1
1 47 . 9 1 1 A 10 10 ILE CB C 10 39.200 37.981 1.219 1
1 51 . 9 1 1 A 10 10 ILE N N 10 115.400 123.131 -7.731 1
1 52 . 9 1 1 A 11 11 ALA C C 11 177.050 177.262 -0.212 1
1 53 . 9 1 1 A 11 11 ALA CA C 11 53.500 51.914 1.586 1
1 54 . 9 1 1 A 11 11 ALA CB C 11 18.250 18.806 -0.556 1
1 55 . 9 1 1 A 11 11 ALA N N 11 121.900 129.804 -7.904 1
1 56 . 9 1 1 A 12 12 GLY C C 12 174.500 173.538 0.962 1
1 57 . 9 1 1 A 12 12 GLY CA C 12 44.250 45.992 -1.742 1
1 58 . 9 1 1 A 12 12 GLY N N 12 109.600 107.951 1.649 1
1 59 . 9 1 1 A 13 13 GLU C C 13 175.300 174.380 0.920 1
1 60 . 9 1 1 A 13 13 GLU CA C 13 54.100 55.313 -1.213 1
1 61 . 9 1 1 A 13 13 GLU CB C 13 33.100 33.663 -0.563 1
1 64 . 9 1 1 A 13 13 GLU N N 13 121.300 119.906 1.394 1
1 65 . 9 1 1 A 14 14 ARG C C 14 173.100 176.137 -3.037 1
1 66 . 9 1 1 A 14 14 ARG CA C 14 54.400 54.384 0.016 1
1 67 . 9 1 1 A 14 14 ARG N N 14 130.600 121.641 8.959 1
1 68 . 9 1 1 A 15 15 ARG C C 15 177.000 175.122 1.878 1
1 69 . 9 1 1 A 15 15 ARG CA C 15 56.300 56.319 -0.019 1
1 70 . 9 1 1 A 15 15 ARG CB C 15 30.000 30.741 -0.741 1
1 74 . 9 1 1 A 15 15 ARG N N 15 122.800 120.802 1.998 1
1 75 . 9 1 1 A 16 16 TYR C C 16 175.200 175.036 0.164 1
1 76 . 9 1 1 A 16 16 TYR CA C 16 58.000 58.886 -0.886 1
1 77 . 9 1 1 A 16 16 TYR CB C 16 40.200 38.982 1.218 1
1 79 . 9 1 1 A 16 16 TYR N N 16 128.100 123.493 4.607 1
1 80 . 9 1 1 A 17 17 GLY C C 17 173.750 172.901 0.849 1
1 81 . 9 1 1 A 17 17 GLY CA C 17 46.700 46.009 0.691 1
1 82 . 9 1 1 A 17 17 GLY N N 17 107.300 106.705 0.595 1
1 83 . 9 1 1 A 18 18 THR C C 18 173.400 172.574 0.826 1
1 84 . 9 1 1 A 18 18 THR CA C 18 61.100 61.022 0.078 1
1 85 . 9 1 1 A 18 18 THR CB C 18 71.300 73.246 -1.946 1
1 87 . 9 1 1 A 18 18 THR N N 18 124.200 121.074 3.126 1
1 88 . 9 1 1 A 19 19 CYS C C 19 173.400 173.351 0.049 1
1 89 . 9 1 1 A 19 19 CYS CA C 19 53.250 57.235 -3.985 1
1 90 . 9 1 1 A 19 19 CYS CB C 19 44.750 28.877 15.873 1
1 91 . 9 1 1 A 19 19 CYS N N 19 122.300 121.468 0.832 1
1 92 . 9 1 1 A 20 20 ILE C C 20 175.200 174.101 1.099 1
1 93 . 9 1 1 A 20 20 ILE CA C 20 61.350 60.169 1.181 1
1 94 . 9 1 1 A 20 20 ILE CB C 20 37.600 38.404 -0.804 1
1 98 . 9 1 1 A 20 20 ILE N N 20 123.600 123.605 -0.005 1
1 99 . 9 1 1 A 21 21 TYR C C 21 174.300 176.354 -2.054 1
1 100 . 9 1 1 A 21 21 TYR CA C 21 56.700 56.185 0.515 1
1 101 . 9 1 1 A 21 21 TYR CB C 21 39.450 40.950 -1.500 1
1 103 . 9 1 1 A 21 21 TYR N N 21 125.500 125.794 -0.294 1
1 104 . 9 1 1 A 22 22 GLN C C 22 175.450 175.266 0.184 1
1 105 . 9 1 1 A 22 22 GLN CA C 22 55.850 56.916 -1.066 1
1 106 . 9 1 1 A 22 22 GLN CB C 22 25.550 27.956 -2.406 1
1 109 . 9 1 1 A 22 22 GLN N N 22 129.000 124.117 4.883 1
1 110 . 9 1 1 A 23 23 GLY C C 23 172.000 173.962 -1.962 1
1 111 . 9 1 1 A 23 23 GLY CA C 23 45.700 45.577 0.123 1
1 112 . 9 1 1 A 23 23 GLY N N 23 103.400 105.375 -1.975 1
1 113 . 9 1 1 A 24 24 ARG C C 24 173.700 175.875 -2.175 1
1 114 . 9 1 1 A 24 24 ARG CA C 24 53.400 55.072 -1.672 1
1 115 . 9 1 1 A 24 24 ARG CB C 24 34.100 31.901 2.199 1
1 118 . 9 1 1 A 24 24 ARG N N 24 118.400 119.721 -1.321 1
1 119 . 9 1 1 A 25 25 LEU C C 25 176.100 176.639 -0.539 1
1 120 . 9 1 1 A 25 25 LEU CA C 25 53.350 54.732 -1.382 1
1 121 . 9 1 1 A 25 25 LEU CB C 25 42.900 42.237 0.663 1
1 125 . 9 1 1 A 25 25 LEU N N 25 120.200 121.540 -1.340 1
1 126 . 9 1 1 A 26 26 TRP C C 26 177.000 176.583 0.417 1
1 127 . 9 1 1 A 26 26 TRP CA C 26 53.750 55.868 -2.118 1
1 128 . 9 1 1 A 26 26 TRP CB C 26 30.700 32.485 -1.785 1
1 129 . 9 1 1 A 26 26 TRP N N 26 120.700 125.703 -5.003 1
1 130 . 9 1 1 A 27 27 ALA C C 27 174.700 176.793 -2.093 1
1 131 . 9 1 1 A 27 27 ALA CA C 27 52.850 51.180 1.670 1
1 132 . 9 1 1 A 27 27 ALA CB C 27 18.600 20.463 -1.863 1
1 133 . 9 1 1 A 27 27 ALA N N 27 127.100 125.198 1.902 1
1 134 . 9 1 1 A 28 28 PHE CA C 28 58.350 56.899 1.451 1
1 135 . 9 1 1 A 28 28 PHE CB C 28 41.550 39.407 2.143 1
1 137 . 9 1 1 A 28 28 PHE N N 28 123.800 122.242 1.558 1
1 138 . 9 1 1 A 29 29 CYS C C 29 174.400 173.718 0.682 1
1 139 . 9 1 1 A 29 29 CYS CA C 29 54.650 57.324 -2.674 1
1 140 . 9 1 1 A 29 29 CYS CB C 29 40.450 29.887 10.563 1
1 141 . 9 1 1 A 29 29 CYS N N 29 121.900 127.102 -5.202 1
1 5 . 10 1 1 A 2 2 CYS C C 2 173.100 172.741 0.359 1
1 6 . 10 1 1 A 2 2 CYS CA C 2 54.900 56.752 -1.852 1
1 7 . 10 1 1 A 2 2 CYS CB C 2 48.400 30.846 17.554 1
1 8 . 10 1 1 A 2 2 CYS N N 2 117.800 112.654 5.146 1
1 9 . 10 1 1 A 3 3 TYR C C 3 174.300 174.333 -0.033 1
1 10 . 10 1 1 A 3 3 TYR CA C 3 56.350 55.268 1.082 1
1 11 . 10 1 1 A 3 3 TYR CB C 3 43.400 37.742 5.658 1
1 12 . 10 1 1 A 3 3 TYR N N 3 117.600 117.337 0.263 1
1 13 . 10 1 1 A 4 4 CYS C C 4 173.100 172.849 0.251 1
1 14 . 10 1 1 A 4 4 CYS CA C 4 54.350 58.122 -3.772 1
1 15 . 10 1 1 A 4 4 CYS CB C 4 46.200 32.572 13.628 1
1 16 . 10 1 1 A 4 4 CYS N N 4 130.600 120.908 9.692 1
1 17 . 10 1 1 A 5 5 ARG C C 5 175.350 175.249 0.101 1
1 18 . 10 1 1 A 5 5 ARG CA C 5 55.800 55.017 0.783 1
1 19 . 10 1 1 A 5 5 ARG CB C 5 35.600 31.665 3.935 1
1 23 . 10 1 1 A 5 5 ARG N N 5 123.100 119.286 3.814 1
1 24 . 10 1 1 A 6 6 ILE C C 6 174.300 174.000 0.300 1
1 25 . 10 1 1 A 6 6 ILE CA C 6 58.150 57.703 0.447 1
1 26 . 10 1 1 A 6 6 ILE CB C 6 42.850 41.497 1.353 1
1 30 . 10 1 1 A 6 6 ILE N N 6 122.300 123.360 -1.060 1
1 31 . 10 1 1 A 7 7 PRO C C 7 174.350 175.810 -1.460 1
1 32 . 10 1 1 A 7 7 PRO CA C 7 63.950 62.593 1.357 1
1 33 . 10 1 1 A 7 7 PRO CB C 7 34.600 30.491 4.109 1
1 36 . 10 1 1 A 7 7 PRO N N 7 134.400 142.168 -7.768 1
1 37 . 10 1 1 A 8 8 ALA C C 8 174.750 176.579 -1.829 1
1 38 . 10 1 1 A 8 8 ALA CA C 8 50.550 50.980 -0.430 1
1 39 . 10 1 1 A 8 8 ALA CB C 8 22.200 20.730 1.470 1
1 40 . 10 1 1 A 8 8 ALA N N 8 122.600 123.902 -1.302 1
1 41 . 10 1 1 A 9 9 CYS C C 9 174.700 174.268 0.432 1
1 42 . 10 1 1 A 9 9 CYS CA C 9 52.500 58.890 -6.390 1
1 43 . 10 1 1 A 9 9 CYS CB C 9 35.200 26.668 8.532 1
1 44 . 10 1 1 A 9 9 CYS N N 9 115.600 115.866 -0.266 1
1 45 . 10 1 1 A 10 10 ILE C C 10 175.100 177.084 -1.984 1
1 46 . 10 1 1 A 10 10 ILE CA C 10 59.600 65.560 -5.960 1
1 47 . 10 1 1 A 10 10 ILE CB C 10 39.200 37.988 1.212 1
1 51 . 10 1 1 A 10 10 ILE N N 10 115.400 125.361 -9.961 1
1 52 . 10 1 1 A 11 11 ALA C C 11 177.050 178.598 -1.548 1
1 53 . 10 1 1 A 11 11 ALA CA C 11 53.500 53.146 0.354 1
1 54 . 10 1 1 A 11 11 ALA CB C 11 18.250 20.144 -1.894 1
1 55 . 10 1 1 A 11 11 ALA N N 11 121.900 123.813 -1.913 1
1 56 . 10 1 1 A 12 12 GLY C C 12 174.500 173.311 1.189 1
1 57 . 10 1 1 A 12 12 GLY CA C 12 44.250 45.267 -1.017 1
1 58 . 10 1 1 A 12 12 GLY N N 12 109.600 109.722 -0.122 1
1 59 . 10 1 1 A 13 13 GLU C C 13 175.300 174.275 1.025 1
1 60 . 10 1 1 A 13 13 GLU CA C 13 54.100 55.474 -1.374 1
1 61 . 10 1 1 A 13 13 GLU CB C 13 33.100 33.545 -0.445 1
1 64 . 10 1 1 A 13 13 GLU N N 13 121.300 120.302 0.998 1
1 65 . 10 1 1 A 14 14 ARG C C 14 173.100 175.529 -2.429 1
1 66 . 10 1 1 A 14 14 ARG CA C 14 54.400 54.027 0.373 1
1 67 . 10 1 1 A 14 14 ARG N N 14 130.600 125.181 5.419 1
1 68 . 10 1 1 A 15 15 ARG C C 15 177.000 174.897 2.103 1
1 69 . 10 1 1 A 15 15 ARG CA C 15 56.300 56.122 0.178 1
1 70 . 10 1 1 A 15 15 ARG CB C 15 30.000 30.644 -0.644 1
1 74 . 10 1 1 A 15 15 ARG N N 15 122.800 120.781 2.019 1
1 75 . 10 1 1 A 16 16 TYR C C 16 175.200 175.306 -0.106 1
1 76 . 10 1 1 A 16 16 TYR CA C 16 58.000 58.181 -0.181 1
1 77 . 10 1 1 A 16 16 TYR CB C 16 40.200 39.697 0.503 1
1 79 . 10 1 1 A 16 16 TYR N N 16 128.100 119.568 8.532 1
1 80 . 10 1 1 A 17 17 GLY C C 17 173.750 174.537 -0.787 1
1 81 . 10 1 1 A 17 17 GLY CA C 17 46.700 46.701 -0.001 1
1 82 . 10 1 1 A 17 17 GLY N N 17 107.300 108.295 -0.995 1
1 83 . 10 1 1 A 18 18 THR C C 18 173.400 174.535 -1.135 1
1 84 . 10 1 1 A 18 18 THR CA C 18 61.100 62.139 -1.039 1
1 85 . 10 1 1 A 18 18 THR CB C 18 71.300 70.743 0.557 1
1 87 . 10 1 1 A 18 18 THR N N 18 124.200 112.084 12.116 1
1 88 . 10 1 1 A 19 19 CYS C C 19 173.400 174.427 -1.027 1
1 89 . 10 1 1 A 19 19 CYS CA C 19 53.250 56.850 -3.600 1
1 90 . 10 1 1 A 19 19 CYS CB C 19 44.750 30.302 14.448 1
1 91 . 10 1 1 A 19 19 CYS N N 19 122.300 118.979 3.321 1
1 92 . 10 1 1 A 20 20 ILE C C 20 175.200 174.910 0.290 1
1 93 . 10 1 1 A 20 20 ILE CA C 20 61.350 60.968 0.382 1
1 94 . 10 1 1 A 20 20 ILE CB C 20 37.600 37.518 0.082 1
1 98 . 10 1 1 A 20 20 ILE N N 20 123.600 124.009 -0.409 1
1 99 . 10 1 1 A 21 21 TYR C C 21 174.300 175.211 -0.911 1
1 100 . 10 1 1 A 21 21 TYR CA C 21 56.700 55.946 0.754 1
1 101 . 10 1 1 A 21 21 TYR CB C 21 39.450 41.413 -1.963 1
1 103 . 10 1 1 A 21 21 TYR N N 21 125.500 124.587 0.913 1
1 104 . 10 1 1 A 22 22 GLN C C 22 175.450 176.213 -0.763 1
1 105 . 10 1 1 A 22 22 GLN CA C 22 55.850 57.130 -1.280 1
1 106 . 10 1 1 A 22 22 GLN CB C 22 25.550 27.050 -1.500 1
1 109 . 10 1 1 A 22 22 GLN N N 22 129.000 124.049 4.951 1
1 110 . 10 1 1 A 23 23 GLY C C 23 172.000 174.184 -2.184 1
1 111 . 10 1 1 A 23 23 GLY CA C 23 45.700 45.658 0.042 1
1 112 . 10 1 1 A 23 23 GLY N N 23 103.400 105.207 -1.807 1
1 113 . 10 1 1 A 24 24 ARG C C 24 173.700 174.810 -1.110 1
1 114 . 10 1 1 A 24 24 ARG CA C 24 53.400 54.027 -0.627 1
1 115 . 10 1 1 A 24 24 ARG CB C 24 34.100 34.102 -0.002 1
1 118 . 10 1 1 A 24 24 ARG N N 24 118.400 120.064 -1.664 1
1 119 . 10 1 1 A 25 25 LEU C C 25 176.100 177.032 -0.932 1
1 120 . 10 1 1 A 25 25 LEU CA C 25 53.350 54.438 -1.088 1
1 121 . 10 1 1 A 25 25 LEU CB C 25 42.900 42.544 0.356 1
1 125 . 10 1 1 A 25 25 LEU N N 25 120.200 121.834 -1.634 1
1 126 . 10 1 1 A 26 26 TRP C C 26 177.000 176.585 0.415 1
1 127 . 10 1 1 A 26 26 TRP CA C 26 53.750 57.174 -3.424 1
1 128 . 10 1 1 A 26 26 TRP CB C 26 30.700 30.708 -0.008 1
1 129 . 10 1 1 A 26 26 TRP N N 26 120.700 125.978 -5.278 1
1 130 . 10 1 1 A 27 27 ALA C C 27 174.700 177.080 -2.380 1
1 131 . 10 1 1 A 27 27 ALA CA C 27 52.850 53.285 -0.435 1
1 132 . 10 1 1 A 27 27 ALA CB C 27 18.600 19.336 -0.736 1
1 133 . 10 1 1 A 27 27 ALA N N 27 127.100 127.138 -0.038 1
1 134 . 10 1 1 A 28 28 PHE CA C 28 58.350 56.955 1.395 1
1 135 . 10 1 1 A 28 28 PHE CB C 28 41.550 39.308 2.242 1
1 137 . 10 1 1 A 28 28 PHE N N 28 123.800 123.623 0.177 1
1 138 . 10 1 1 A 29 29 CYS C C 29 174.400 173.979 0.421 1
1 139 . 10 1 1 A 29 29 CYS CA C 29 54.650 57.688 -3.038 1
1 140 . 10 1 1 A 29 29 CYS CB C 29 40.450 29.660 10.790 1
1 141 . 10 1 1 A 29 29 CYS N N 29 121.900 126.953 -5.053 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 27 1.197 1
2 1 1 1 "RMS(OBS, PRED)" CA 28 2.165 1
3 1 1 1 "RMS(OBS, PRED)" CB 24 7.073 1
4 1 1 1 "RMS(OBS, PRED)" H 0 0.000 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 28 4.820 1
7 1 2 1 "RMS(OBS, PRED)" C 27 1.301 1
8 1 2 1 "RMS(OBS, PRED)" CA 28 2.184 1
9 1 2 1 "RMS(OBS, PRED)" CB 24 6.595 1
10 1 2 1 "RMS(OBS, PRED)" H 0 0.000 1
11 1 2 1 "RMS(OBS, PRED)" HA 0 0.000 1
12 1 2 1 "RMS(OBS, PRED)" N 28 4.893 1
13 1 3 1 "RMS(OBS, PRED)" C 27 1.285 1
14 1 3 1 "RMS(OBS, PRED)" CA 28 2.279 1
15 1 3 1 "RMS(OBS, PRED)" CB 24 7.007 1
16 1 3 1 "RMS(OBS, PRED)" H 0 0.000 1
17 1 3 1 "RMS(OBS, PRED)" HA 0 0.000 1
18 1 3 1 "RMS(OBS, PRED)" N 28 5.052 1
19 1 4 1 "RMS(OBS, PRED)" C 27 1.347 1
20 1 4 1 "RMS(OBS, PRED)" CA 28 2.346 1
21 1 4 1 "RMS(OBS, PRED)" CB 24 6.499 1
22 1 4 1 "RMS(OBS, PRED)" H 0 0.000 1
23 1 4 1 "RMS(OBS, PRED)" HA 0 0.000 1
24 1 4 1 "RMS(OBS, PRED)" N 28 4.983 1
25 1 5 1 "RMS(OBS, PRED)" C 27 1.301 1
26 1 5 1 "RMS(OBS, PRED)" CA 28 2.327 1
27 1 5 1 "RMS(OBS, PRED)" CB 24 6.781 1
28 1 5 1 "RMS(OBS, PRED)" H 0 0.000 1
29 1 5 1 "RMS(OBS, PRED)" HA 0 0.000 1
30 1 5 1 "RMS(OBS, PRED)" N 28 4.485 1
31 1 6 1 "RMS(OBS, PRED)" C 27 1.288 1
32 1 6 1 "RMS(OBS, PRED)" CA 28 2.333 1
33 1 6 1 "RMS(OBS, PRED)" CB 24 6.542 1
34 1 6 1 "RMS(OBS, PRED)" H 0 0.000 1
35 1 6 1 "RMS(OBS, PRED)" HA 0 0.000 1
36 1 6 1 "RMS(OBS, PRED)" N 28 4.244 1
37 1 7 1 "RMS(OBS, PRED)" C 27 1.314 1
38 1 7 1 "RMS(OBS, PRED)" CA 28 2.184 1
39 1 7 1 "RMS(OBS, PRED)" CB 24 7.054 1
40 1 7 1 "RMS(OBS, PRED)" H 0 0.000 1
41 1 7 1 "RMS(OBS, PRED)" HA 0 0.000 1
42 1 7 1 "RMS(OBS, PRED)" N 28 4.520 1
43 1 8 1 "RMS(OBS, PRED)" C 27 1.435 1
44 1 8 1 "RMS(OBS, PRED)" CA 28 2.221 1
45 1 8 1 "RMS(OBS, PRED)" CB 24 6.946 1
46 1 8 1 "RMS(OBS, PRED)" H 0 0.000 1
47 1 8 1 "RMS(OBS, PRED)" HA 0 0.000 1
48 1 8 1 "RMS(OBS, PRED)" N 28 4.535 1
49 1 9 1 "RMS(OBS, PRED)" C 27 1.323 1
50 1 9 1 "RMS(OBS, PRED)" CA 28 2.154 1
51 1 9 1 "RMS(OBS, PRED)" CB 24 7.082 1
52 1 9 1 "RMS(OBS, PRED)" H 0 0.000 1
53 1 9 1 "RMS(OBS, PRED)" HA 0 0.000 1
54 1 9 1 "RMS(OBS, PRED)" N 28 4.509 1
55 1 10 1 "RMS(OBS, PRED)" C 27 1.277 1
56 1 10 1 "RMS(OBS, PRED)" CA 28 2.296 1
57 1 10 1 "RMS(OBS, PRED)" CB 24 6.522 1
58 1 10 1 "RMS(OBS, PRED)" H 0 0.000 1
59 1 10 1 "RMS(OBS, PRED)" HA 0 0.000 1
60 1 10 1 "RMS(OBS, PRED)" N 28 4.925 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 5 . 1 1 A 2 2 CYS C C 2 173.100 173.265 -0.165 2
1 6 . 1 1 A 2 2 CYS CA C 2 54.900 57.214 -2.314 2
1 7 . 1 1 A 2 2 CYS CB C 2 48.400 30.043 18.357 2
1 8 . 1 1 A 2 2 CYS N N 2 117.800 117.060 0.740 2
1 9 . 1 1 A 3 3 TYR C C 3 174.300 174.734 -0.434 2
1 10 . 1 1 A 3 3 TYR CA C 3 56.350 56.660 -0.310 2
1 11 . 1 1 A 3 3 TYR CB C 3 43.400 39.476 3.924 2
1 12 . 1 1 A 3 3 TYR N N 3 117.600 121.765 -4.165 2
1 13 . 1 1 A 4 4 CYS C C 4 173.100 173.468 -0.368 2
1 14 . 1 1 A 4 4 CYS CA C 4 54.350 57.829 -3.479 2
1 15 . 1 1 A 4 4 CYS CB C 4 46.200 30.526 15.674 2
1 16 . 1 1 A 4 4 CYS N N 4 130.600 121.398 9.202 2
1 17 . 1 1 A 5 5 ARG C C 5 175.350 175.376 -0.026 2
1 18 . 1 1 A 5 5 ARG CA C 5 55.800 54.969 0.831 2
1 19 . 1 1 A 5 5 ARG CB C 5 35.600 32.101 3.499 2
1 23 . 1 1 A 5 5 ARG N N 5 123.100 122.886 0.214 2
1 24 . 1 1 A 6 6 ILE C C 6 174.300 174.610 -0.310 2
1 25 . 1 1 A 6 6 ILE CA C 6 58.150 57.498 0.652 2
1 26 . 1 1 A 6 6 ILE CB C 6 42.850 39.715 3.135 2
1 30 . 1 1 A 6 6 ILE N N 6 122.300 121.809 0.491 2
1 31 . 1 1 A 7 7 PRO C C 7 174.350 175.740 -1.390 2
1 32 . 1 1 A 7 7 PRO CA C 7 63.950 63.088 0.862 2
1 33 . 1 1 A 7 7 PRO CB C 7 34.600 30.885 3.715 2
1 36 . 1 1 A 7 7 PRO N N 7 134.400 139.532 -5.132 2
1 37 . 1 1 A 8 8 ALA C C 8 174.750 176.354 -1.604 2
1 38 . 1 1 A 8 8 ALA CA C 8 50.550 51.320 -0.770 2
1 39 . 1 1 A 8 8 ALA CB C 8 22.200 20.920 1.280 2
1 40 . 1 1 A 8 8 ALA N N 8 122.600 123.393 -0.793 2
1 41 . 1 1 A 9 9 CYS C C 9 174.700 174.794 -0.094 2
1 42 . 1 1 A 9 9 CYS CA C 9 52.500 58.846 -6.346 2
1 43 . 1 1 A 9 9 CYS CB C 9 35.200 27.149 8.051 2
1 44 . 1 1 A 9 9 CYS N N 9 115.600 119.259 -3.659 2
1 45 . 1 1 A 10 10 ILE C C 10 175.100 177.056 -1.956 2
1 46 . 1 1 A 10 10 ILE CA C 10 59.600 64.404 -4.804 2
1 47 . 1 1 A 10 10 ILE CB C 10 39.200 37.872 1.328 2
1 51 . 1 1 A 10 10 ILE N N 10 115.400 124.731 -9.331 2
1 52 . 1 1 A 11 11 ALA C C 11 177.050 178.103 -1.053 2
1 53 . 1 1 A 11 11 ALA CA C 11 53.500 52.428 1.073 2
1 54 . 1 1 A 11 11 ALA CB C 11 18.250 19.956 -1.706 2
1 55 . 1 1 A 11 11 ALA N N 11 121.900 123.509 -1.609 2
1 56 . 1 1 A 12 12 GLY C C 12 174.500 173.541 0.959 2
1 57 . 1 1 A 12 12 GLY CA C 12 44.250 45.831 -1.582 2
1 58 . 1 1 A 12 12 GLY N N 12 109.600 108.082 1.518 2
1 59 . 1 1 A 13 13 GLU C C 13 175.300 174.598 0.702 2
1 60 . 1 1 A 13 13 GLU CA C 13 54.100 55.122 -1.022 2
1 61 . 1 1 A 13 13 GLU CB C 13 33.100 32.822 0.278 2
1 64 . 1 1 A 13 13 GLU N N 13 121.300 119.506 1.794 2
1 65 . 1 1 A 14 14 ARG C C 14 173.100 175.683 -2.583 2
1 66 . 1 1 A 14 14 ARG CA C 14 54.400 54.328 0.072 2
1 67 . 1 1 A 14 14 ARG N N 14 130.600 122.043 8.557 2
1 68 . 1 1 A 15 15 ARG C C 15 177.000 175.267 1.733 2
1 69 . 1 1 A 15 15 ARG CA C 15 56.300 56.049 0.251 2
1 70 . 1 1 A 15 15 ARG CB C 15 30.000 30.849 -0.849 2
1 74 . 1 1 A 15 15 ARG N N 15 122.800 122.097 0.703 2
1 75 . 1 1 A 16 16 TYR C C 16 175.200 175.636 -0.436 2
1 76 . 1 1 A 16 16 TYR CA C 16 58.000 59.220 -1.220 2
1 77 . 1 1 A 16 16 TYR CB C 16 40.200 39.459 0.741 2
1 79 . 1 1 A 16 16 TYR N N 16 128.100 122.355 5.745 2
1 80 . 1 1 A 17 17 GLY C C 17 173.750 173.146 0.604 2
1 81 . 1 1 A 17 17 GLY CA C 17 46.700 46.170 0.530 2
1 82 . 1 1 A 17 17 GLY N N 17 107.300 107.340 -0.040 2
1 83 . 1 1 A 18 18 THR C C 18 173.400 173.619 -0.219 2
1 84 . 1 1 A 18 18 THR CA C 18 61.100 61.136 -0.037 2
1 85 . 1 1 A 18 18 THR CB C 18 71.300 71.071 0.229 2
1 87 . 1 1 A 18 18 THR N N 18 124.200 116.081 8.119 2
1 88 . 1 1 A 19 19 CYS C C 19 173.400 173.705 -0.305 2
1 89 . 1 1 A 19 19 CYS CA C 19 53.250 57.203 -3.953 2
1 90 . 1 1 A 19 19 CYS CB C 19 44.750 29.774 14.976 2
1 91 . 1 1 A 19 19 CYS N N 19 122.300 123.006 -0.706 2
1 92 . 1 1 A 20 20 ILE C C 20 175.200 174.719 0.481 2
1 93 . 1 1 A 20 20 ILE CA C 20 61.350 60.619 0.731 2
1 94 . 1 1 A 20 20 ILE CB C 20 37.600 37.785 -0.185 2
1 98 . 1 1 A 20 20 ILE N N 20 123.600 125.053 -1.453 2
1 99 . 1 1 A 21 21 TYR C C 21 174.300 175.220 -0.920 2
1 100 . 1 1 A 21 21 TYR CA C 21 56.700 56.995 -0.295 2
1 101 . 1 1 A 21 21 TYR CB C 21 39.450 41.533 -2.083 2
1 103 . 1 1 A 21 21 TYR N N 21 125.500 126.287 -0.787 2
1 104 . 1 1 A 22 22 GLN C C 22 175.450 175.701 -0.251 2
1 105 . 1 1 A 22 22 GLN CA C 22 55.850 56.848 -0.998 2
1 106 . 1 1 A 22 22 GLN CB C 22 25.550 27.176 -1.626 2
1 109 . 1 1 A 22 22 GLN N N 22 129.000 125.758 3.242 2
1 110 . 1 1 A 23 23 GLY C C 23 172.000 173.916 -1.916 2
1 111 . 1 1 A 23 23 GLY CA C 23 45.700 45.658 0.042 2
1 112 . 1 1 A 23 23 GLY N N 23 103.400 105.272 -1.872 2
1 113 . 1 1 A 24 24 ARG C C 24 173.700 175.383 -1.683 2
1 114 . 1 1 A 24 24 ARG CA C 24 53.400 54.726 -1.326 2
1 115 . 1 1 A 24 24 ARG CB C 24 34.100 32.496 1.604 2
1 118 . 1 1 A 24 24 ARG N N 24 118.400 120.291 -1.891 2
1 119 . 1 1 A 25 25 LEU C C 25 176.100 176.602 -0.502 2
1 120 . 1 1 A 25 25 LEU CA C 25 53.350 54.377 -1.027 2
1 121 . 1 1 A 25 25 LEU CB C 25 42.900 42.763 0.137 2
1 125 . 1 1 A 25 25 LEU N N 25 120.200 123.198 -2.998 2
1 126 . 1 1 A 26 26 TRP C C 26 177.000 175.611 1.389 2
1 127 . 1 1 A 26 26 TRP CA C 26 53.750 55.670 -1.920 2
1 128 . 1 1 A 26 26 TRP CB C 26 30.700 31.549 -0.849 2
1 129 . 1 1 A 26 26 TRP N N 26 120.700 124.161 -3.461 2
1 130 . 1 1 A 27 27 ALA C C 27 174.700 176.699 -1.999 2
1 131 . 1 1 A 27 27 ALA CA C 27 52.850 51.165 1.685 2
1 132 . 1 1 A 27 27 ALA CB C 27 18.600 20.586 -1.986 2
1 133 . 1 1 A 27 27 ALA N N 27 127.100 127.626 -0.526 2
1 134 . 1 1 A 28 28 PHE CA C 28 58.350 57.180 1.170 2
1 135 . 1 1 A 28 28 PHE CB C 28 41.550 39.046 2.504 2
1 137 . 1 1 A 28 28 PHE N N 28 123.800 122.471 1.329 2
1 138 . 1 1 A 29 29 CYS C C 29 174.400 174.034 0.366 2
1 139 . 1 1 A 29 29 CYS CA C 29 54.650 57.611 -2.961 2
1 140 . 1 1 A 29 29 CYS CB C 29 40.450 30.465 9.985 2
1 141 . 1 1 A 29 29 CYS N N 29 121.900 125.712 -3.812 2
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