data_19062 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19062 _Entry.PDB_ID 2M5N save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 19062 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 THR N N 2 117.000 117.000 117.539 -0.539 19062 2 1 1 . 1 1 2 2 THR C C 2 173.500 173.500 173.744 -0.244 19062 3 1 1 . 1 1 2 2 THR CA C 2 62.600 62.600 61.968 0.632 19062 4 1 1 . 1 1 2 2 THR CB C 2 72.500 72.500 70.082 2.418 19062 5 1 1 . 1 1 3 3 ILE N N 3 127.000 127.000 123.793 3.207 19062 6 1 1 . 1 1 3 3 ILE C C 3 174.100 174.100 175.011 -0.911 19062 7 1 1 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.736 -1.536 19062 8 1 1 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.907 1.893 19062 9 1 1 . 1 1 4 4 ALA N N 4 128.000 128.000 130.134 -2.134 19062 10 1 1 . 1 1 4 4 ALA C C 4 174.500 174.500 176.192 -1.692 19062 11 1 1 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.160 -2.260 19062 12 1 1 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.058 2.042 19062 13 1 1 . 1 1 5 5 ALA N N 5 125.100 125.100 126.625 -1.525 19062 14 1 1 . 1 1 5 5 ALA C C 5 173.300 173.300 176.158 -2.858 19062 15 1 1 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.032 -1.732 19062 16 1 1 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.224 2.676 19062 17 1 1 . 1 1 6 6 LEU N N 6 127.000 127.000 120.601 6.399 19062 18 1 1 . 1 1 6 6 LEU C C 6 174.200 174.200 175.879 -1.679 19062 19 1 1 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.132 -0.732 19062 20 1 1 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.436 2.064 19062 21 1 1 . 1 1 7 7 LEU N N 7 127.500 127.500 121.300 6.200 19062 22 1 1 . 1 1 7 7 LEU C C 7 173.900 173.900 177.119 -3.219 19062 23 1 1 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.921 -0.821 19062 24 1 1 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.979 1.321 19062 25 1 1 . 1 1 8 8 SER N N 8 117.200 117.200 119.163 -1.963 19062 26 1 1 . 1 1 8 8 SER C C 8 173.600 173.600 172.681 0.919 19062 27 1 1 . 1 1 8 8 SER CA C 8 55.400 55.400 57.131 -1.731 19062 28 1 1 . 1 1 8 8 SER CB C 8 63.200 63.200 63.614 -0.414 19062 29 1 1 . 1 1 9 9 PRO C C 9 174.800 174.800 175.855 -1.055 19062 30 1 1 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.228 -0.628 19062 31 1 1 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.201 0.399 19062 32 1 1 . 1 1 10 10 TYR N N 10 127.300 127.300 120.409 6.891 19062 33 1 1 . 1 1 10 10 TYR C C 10 173.600 173.600 176.013 -2.413 19062 34 1 1 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.924 -0.224 19062 35 1 1 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.329 3.471 19062 36 1 2 . 1 1 2 2 THR N N 2 117.000 117.000 117.024 -0.024 19062 37 1 2 . 1 1 2 2 THR C C 2 173.500 173.500 173.636 -0.136 19062 38 1 2 . 1 1 2 2 THR CA C 2 62.600 62.600 61.982 0.618 19062 39 1 2 . 1 1 2 2 THR CB C 2 72.500 72.500 70.037 2.463 19062 40 1 2 . 1 1 3 3 ILE N N 3 127.000 127.000 123.953 3.047 19062 41 1 2 . 1 1 3 3 ILE C C 3 174.100 174.100 175.003 -0.903 19062 42 1 2 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.655 -1.455 19062 43 1 2 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.899 1.901 19062 44 1 2 . 1 1 4 4 ALA N N 4 128.000 128.000 130.183 -2.183 19062 45 1 2 . 1 1 4 4 ALA C C 4 174.500 174.500 176.194 -1.694 19062 46 1 2 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.156 -2.256 19062 47 1 2 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.068 2.032 19062 48 1 2 . 1 1 5 5 ALA N N 5 125.100 125.100 126.617 -1.517 19062 49 1 2 . 1 1 5 5 ALA C C 5 173.300 173.300 176.166 -2.866 19062 50 1 2 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.031 -1.730 19062 51 1 2 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.218 2.683 19062 52 1 2 . 1 1 6 6 LEU N N 6 127.000 127.000 120.640 6.360 19062 53 1 2 . 1 1 6 6 LEU C C 6 174.200 174.200 175.875 -1.675 19062 54 1 2 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.132 -0.732 19062 55 1 2 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.444 2.056 19062 56 1 2 . 1 1 7 7 LEU N N 7 127.500 127.500 121.342 6.158 19062 57 1 2 . 1 1 7 7 LEU C C 7 173.900 173.900 177.133 -3.233 19062 58 1 2 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.929 -0.829 19062 59 1 2 . 1 1 7 7 LEU CB C 7 44.300 44.300 43.005 1.295 19062 60 1 2 . 1 1 8 8 SER N N 8 117.200 117.200 119.165 -1.965 19062 61 1 2 . 1 1 8 8 SER C C 8 173.600 173.600 172.687 0.913 19062 62 1 2 . 1 1 8 8 SER CA C 8 55.400 55.400 57.217 -1.817 19062 63 1 2 . 1 1 8 8 SER CB C 8 63.200 63.200 63.662 -0.462 19062 64 1 2 . 1 1 9 9 PRO C C 9 174.800 174.800 175.855 -1.055 19062 65 1 2 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.243 -0.643 19062 66 1 2 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.195 0.405 19062 67 1 2 . 1 1 10 10 TYR N N 10 127.300 127.300 120.373 6.927 19062 68 1 2 . 1 1 10 10 TYR C C 10 173.600 173.600 175.955 -2.355 19062 69 1 2 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.958 -0.258 19062 70 1 2 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.354 3.446 19062 71 1 3 . 1 1 2 2 THR N N 2 117.000 117.000 117.180 -0.180 19062 72 1 3 . 1 1 2 2 THR C C 2 173.500 173.500 173.778 -0.278 19062 73 1 3 . 1 1 2 2 THR CA C 2 62.600 62.600 61.983 0.617 19062 74 1 3 . 1 1 2 2 THR CB C 2 72.500 72.500 69.986 2.514 19062 75 1 3 . 1 1 3 3 ILE N N 3 127.000 127.000 124.078 2.922 19062 76 1 3 . 1 1 3 3 ILE C C 3 174.100 174.100 175.072 -0.972 19062 77 1 3 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.718 -1.518 19062 78 1 3 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.968 1.832 19062 79 1 3 . 1 1 4 4 ALA N N 4 128.000 128.000 130.204 -2.204 19062 80 1 3 . 1 1 4 4 ALA C C 4 174.500 174.500 176.191 -1.691 19062 81 1 3 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.160 -2.260 19062 82 1 3 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.059 2.041 19062 83 1 3 . 1 1 5 5 ALA N N 5 125.100 125.100 126.616 -1.516 19062 84 1 3 . 1 1 5 5 ALA C C 5 173.300 173.300 176.160 -2.860 19062 85 1 3 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.024 -1.724 19062 86 1 3 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.232 2.668 19062 87 1 3 . 1 1 6 6 LEU N N 6 127.000 127.000 120.621 6.379 19062 88 1 3 . 1 1 6 6 LEU C C 6 174.200 174.200 175.879 -1.679 19062 89 1 3 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.128 -0.728 19062 90 1 3 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.441 2.059 19062 91 1 3 . 1 1 7 7 LEU N N 7 127.500 127.500 122.268 5.232 19062 92 1 3 . 1 1 7 7 LEU C C 7 173.900 173.900 177.007 -3.107 19062 93 1 3 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.843 -0.743 19062 94 1 3 . 1 1 7 7 LEU CB C 7 44.300 44.300 43.146 1.154 19062 95 1 3 . 1 1 8 8 SER N N 8 117.200 117.200 118.517 -1.317 19062 96 1 3 . 1 1 8 8 SER C C 8 173.600 173.600 172.688 0.912 19062 97 1 3 . 1 1 8 8 SER CA C 8 55.400 55.400 56.741 -1.341 19062 98 1 3 . 1 1 8 8 SER CB C 8 63.200 63.200 63.278 -0.078 19062 99 1 3 . 1 1 9 9 PRO C C 9 174.800 174.800 175.869 -1.069 19062 100 1 3 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.118 -0.518 19062 101 1 3 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.221 0.379 19062 102 1 3 . 1 1 10 10 TYR N N 10 127.300 127.300 120.422 6.878 19062 103 1 3 . 1 1 10 10 TYR C C 10 173.600 173.600 175.894 -2.294 19062 104 1 3 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.964 -0.264 19062 105 1 3 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.332 3.468 19062 106 1 4 . 1 1 2 2 THR N N 2 117.000 117.000 117.591 -0.591 19062 107 1 4 . 1 1 2 2 THR C C 2 173.500 173.500 173.673 -0.173 19062 108 1 4 . 1 1 2 2 THR CA C 2 62.600 62.600 62.074 0.526 19062 109 1 4 . 1 1 2 2 THR CB C 2 72.500 72.500 70.133 2.367 19062 110 1 4 . 1 1 3 3 ILE N N 3 127.000 127.000 123.766 3.234 19062 111 1 4 . 1 1 3 3 ILE C C 3 174.100 174.100 174.974 -0.874 19062 112 1 4 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.696 -1.496 19062 113 1 4 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.834 1.966 19062 114 1 4 . 1 1 4 4 ALA N N 4 128.000 128.000 130.181 -2.181 19062 115 1 4 . 1 1 4 4 ALA C C 4 174.500 174.500 176.189 -1.689 19062 116 1 4 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.167 -2.267 19062 117 1 4 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.059 2.041 19062 118 1 4 . 1 1 5 5 ALA N N 5 125.100 125.100 126.672 -1.572 19062 119 1 4 . 1 1 5 5 ALA C C 5 173.300 173.300 176.170 -2.870 19062 120 1 4 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.048 -1.748 19062 121 1 4 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.202 2.698 19062 122 1 4 . 1 1 6 6 LEU N N 6 127.000 127.000 120.767 6.233 19062 123 1 4 . 1 1 6 6 LEU C C 6 174.200 174.200 175.884 -1.684 19062 124 1 4 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.130 -0.730 19062 125 1 4 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.415 2.085 19062 126 1 4 . 1 1 7 7 LEU N N 7 127.500 127.500 122.474 5.026 19062 127 1 4 . 1 1 7 7 LEU C C 7 173.900 173.900 177.026 -3.126 19062 128 1 4 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.852 -0.752 19062 129 1 4 . 1 1 7 7 LEU CB C 7 44.300 44.300 43.175 1.125 19062 130 1 4 . 1 1 8 8 SER N N 8 117.200 117.200 118.680 -1.480 19062 131 1 4 . 1 1 8 8 SER C C 8 173.600 173.600 172.711 0.889 19062 132 1 4 . 1 1 8 8 SER CA C 8 55.400 55.400 56.766 -1.366 19062 133 1 4 . 1 1 8 8 SER CB C 8 63.200 63.200 63.333 -0.133 19062 134 1 4 . 1 1 9 9 PRO C C 9 174.800 174.800 175.863 -1.063 19062 135 1 4 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.127 -0.527 19062 136 1 4 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.221 0.378 19062 137 1 4 . 1 1 10 10 TYR N N 10 127.300 127.300 120.264 7.036 19062 138 1 4 . 1 1 10 10 TYR C C 10 173.600 173.600 176.009 -2.409 19062 139 1 4 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.948 -0.248 19062 140 1 4 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.368 3.432 19062 141 1 5 . 1 1 2 2 THR N N 2 117.000 117.000 117.557 -0.557 19062 142 1 5 . 1 1 2 2 THR C C 2 173.500 173.500 173.749 -0.249 19062 143 1 5 . 1 1 2 2 THR CA C 2 62.600 62.600 61.940 0.660 19062 144 1 5 . 1 1 2 2 THR CB C 2 72.500 72.500 70.060 2.440 19062 145 1 5 . 1 1 3 3 ILE N N 3 127.000 127.000 123.835 3.165 19062 146 1 5 . 1 1 3 3 ILE C C 3 174.100 174.100 175.022 -0.922 19062 147 1 5 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.718 -1.518 19062 148 1 5 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.931 1.869 19062 149 1 5 . 1 1 4 4 ALA N N 4 128.000 128.000 130.115 -2.115 19062 150 1 5 . 1 1 4 4 ALA C C 4 174.500 174.500 176.196 -1.696 19062 151 1 5 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.163 -2.263 19062 152 1 5 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.055 2.045 19062 153 1 5 . 1 1 5 5 ALA N N 5 125.100 125.100 126.672 -1.572 19062 154 1 5 . 1 1 5 5 ALA C C 5 173.300 173.300 176.177 -2.877 19062 155 1 5 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.050 -1.750 19062 156 1 5 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.199 2.701 19062 157 1 5 . 1 1 6 6 LEU N N 6 127.000 127.000 120.875 6.125 19062 158 1 5 . 1 1 6 6 LEU C C 6 174.200 174.200 175.889 -1.689 19062 159 1 5 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.120 -0.720 19062 160 1 5 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.413 2.087 19062 161 1 5 . 1 1 7 7 LEU N N 7 127.500 127.500 121.626 5.874 19062 162 1 5 . 1 1 7 7 LEU C C 7 173.900 173.900 177.038 -3.138 19062 163 1 5 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.898 -0.798 19062 164 1 5 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.893 1.407 19062 165 1 5 . 1 1 8 8 SER N N 8 117.200 117.200 117.584 -0.384 19062 166 1 5 . 1 1 8 8 SER C C 8 173.600 173.600 172.783 0.817 19062 167 1 5 . 1 1 8 8 SER CA C 8 55.400 55.400 56.879 -1.479 19062 168 1 5 . 1 1 8 8 SER CB C 8 63.200 63.200 63.267 -0.067 19062 169 1 5 . 1 1 9 9 PRO C C 9 174.800 174.800 175.783 -0.983 19062 170 1 5 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.192 -0.592 19062 171 1 5 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.150 0.450 19062 172 1 5 . 1 1 10 10 TYR N N 10 127.300 127.300 120.400 6.900 19062 173 1 5 . 1 1 10 10 TYR C C 10 173.600 173.600 175.895 -2.295 19062 174 1 5 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.914 -0.214 19062 175 1 5 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.339 3.461 19062 176 1 6 . 1 1 2 2 THR N N 2 117.000 117.000 117.171 -0.171 19062 177 1 6 . 1 1 2 2 THR C C 2 173.500 173.500 173.624 -0.124 19062 178 1 6 . 1 1 2 2 THR CA C 2 62.600 62.600 61.996 0.604 19062 179 1 6 . 1 1 2 2 THR CB C 2 72.500 72.500 70.051 2.449 19062 180 1 6 . 1 1 3 3 ILE N N 3 127.000 127.000 123.843 3.157 19062 181 1 6 . 1 1 3 3 ILE C C 3 174.100 174.100 175.003 -0.903 19062 182 1 6 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.637 -1.437 19062 183 1 6 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.929 1.871 19062 184 1 6 . 1 1 4 4 ALA N N 4 128.000 128.000 130.019 -2.019 19062 185 1 6 . 1 1 4 4 ALA C C 4 174.500 174.500 176.198 -1.698 19062 186 1 6 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.161 -2.261 19062 187 1 6 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.044 2.056 19062 188 1 6 . 1 1 5 5 ALA N N 5 125.100 125.100 126.635 -1.535 19062 189 1 6 . 1 1 5 5 ALA C C 5 173.300 173.300 176.152 -2.852 19062 190 1 6 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.023 -1.723 19062 191 1 6 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.237 2.663 19062 192 1 6 . 1 1 6 6 LEU N N 6 127.000 127.000 120.556 6.444 19062 193 1 6 . 1 1 6 6 LEU C C 6 174.200 174.200 175.902 -1.702 19062 194 1 6 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.118 -0.718 19062 195 1 6 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.417 2.083 19062 196 1 6 . 1 1 7 7 LEU N N 7 127.500 127.500 121.327 6.173 19062 197 1 6 . 1 1 7 7 LEU C C 7 173.900 173.900 177.169 -3.269 19062 198 1 6 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.910 -0.810 19062 199 1 6 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.942 1.358 19062 200 1 6 . 1 1 8 8 SER N N 8 117.200 117.200 119.009 -1.809 19062 201 1 6 . 1 1 8 8 SER C C 8 173.600 173.600 172.710 0.890 19062 202 1 6 . 1 1 8 8 SER CA C 8 55.400 55.400 56.815 -1.415 19062 203 1 6 . 1 1 8 8 SER CB C 8 63.200 63.200 63.764 -0.564 19062 204 1 6 . 1 1 9 9 PRO C C 9 174.800 174.800 175.851 -1.051 19062 205 1 6 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.290 -0.690 19062 206 1 6 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.254 0.346 19062 207 1 6 . 1 1 10 10 TYR N N 10 127.300 127.300 120.109 7.191 19062 208 1 6 . 1 1 10 10 TYR C C 10 173.600 173.600 175.989 -2.389 19062 209 1 6 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.809 -0.109 19062 210 1 6 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.151 3.648 19062 211 1 7 . 1 1 2 2 THR N N 2 117.000 117.000 117.049 -0.049 19062 212 1 7 . 1 1 2 2 THR C C 2 173.500 173.500 173.750 -0.250 19062 213 1 7 . 1 1 2 2 THR CA C 2 62.600 62.600 62.098 0.502 19062 214 1 7 . 1 1 2 2 THR CB C 2 72.500 72.500 69.989 2.511 19062 215 1 7 . 1 1 3 3 ILE N N 3 127.000 127.000 123.966 3.034 19062 216 1 7 . 1 1 3 3 ILE C C 3 174.100 174.100 175.080 -0.980 19062 217 1 7 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.678 -1.478 19062 218 1 7 . 1 1 3 3 ILE CB C 3 41.800 41.800 40.061 1.739 19062 219 1 7 . 1 1 4 4 ALA N N 4 128.000 128.000 130.029 -2.029 19062 220 1 7 . 1 1 4 4 ALA C C 4 174.500 174.500 176.195 -1.695 19062 221 1 7 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.153 -2.253 19062 222 1 7 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.048 2.052 19062 223 1 7 . 1 1 5 5 ALA N N 5 125.100 125.100 126.616 -1.516 19062 224 1 7 . 1 1 5 5 ALA C C 5 173.300 173.300 176.154 -2.854 19062 225 1 7 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.024 -1.724 19062 226 1 7 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.236 2.664 19062 227 1 7 . 1 1 6 6 LEU N N 6 127.000 127.000 120.603 6.397 19062 228 1 7 . 1 1 6 6 LEU C C 6 174.200 174.200 175.881 -1.681 19062 229 1 7 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.126 -0.726 19062 230 1 7 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.436 2.064 19062 231 1 7 . 1 1 7 7 LEU N N 7 127.500 127.500 121.367 6.133 19062 232 1 7 . 1 1 7 7 LEU C C 7 173.900 173.900 177.132 -3.232 19062 233 1 7 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.915 -0.815 19062 234 1 7 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.943 1.357 19062 235 1 7 . 1 1 8 8 SER N N 8 117.200 117.200 119.134 -1.934 19062 236 1 7 . 1 1 8 8 SER C C 8 173.600 173.600 172.671 0.929 19062 237 1 7 . 1 1 8 8 SER CA C 8 55.400 55.400 57.123 -1.724 19062 238 1 7 . 1 1 8 8 SER CB C 8 63.200 63.200 63.725 -0.525 19062 239 1 7 . 1 1 9 9 PRO C C 9 174.800 174.800 175.850 -1.050 19062 240 1 7 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.281 -0.681 19062 241 1 7 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.230 0.370 19062 242 1 7 . 1 1 10 10 TYR N N 10 127.300 127.300 120.278 7.022 19062 243 1 7 . 1 1 10 10 TYR C C 10 173.600 173.600 176.228 -2.628 19062 244 1 7 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.724 -0.023 19062 245 1 7 . 1 1 10 10 TYR CB C 10 43.800 43.800 39.896 3.904 19062 246 1 8 . 1 1 2 2 THR N N 2 117.000 117.000 117.098 -0.098 19062 247 1 8 . 1 1 2 2 THR C C 2 173.500 173.500 173.627 -0.127 19062 248 1 8 . 1 1 2 2 THR CA C 2 62.600 62.600 61.985 0.615 19062 249 1 8 . 1 1 2 2 THR CB C 2 72.500 72.500 70.047 2.453 19062 250 1 8 . 1 1 3 3 ILE N N 3 127.000 127.000 123.868 3.132 19062 251 1 8 . 1 1 3 3 ILE C C 3 174.100 174.100 175.014 -0.914 19062 252 1 8 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.626 -1.426 19062 253 1 8 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.944 1.856 19062 254 1 8 . 1 1 4 4 ALA N N 4 128.000 128.000 130.001 -2.001 19062 255 1 8 . 1 1 4 4 ALA C C 4 174.500 174.500 176.201 -1.701 19062 256 1 8 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.160 -2.260 19062 257 1 8 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.039 2.061 19062 258 1 8 . 1 1 5 5 ALA N N 5 125.100 125.100 126.664 -1.564 19062 259 1 8 . 1 1 5 5 ALA C C 5 173.300 173.300 176.160 -2.860 19062 260 1 8 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.038 -1.738 19062 261 1 8 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.224 2.676 19062 262 1 8 . 1 1 6 6 LEU N N 6 127.000 127.000 120.699 6.301 19062 263 1 8 . 1 1 6 6 LEU C C 6 174.200 174.200 175.880 -1.680 19062 264 1 8 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.114 -0.714 19062 265 1 8 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.436 2.064 19062 266 1 8 . 1 1 7 7 LEU N N 7 127.500 127.500 121.351 6.149 19062 267 1 8 . 1 1 7 7 LEU C C 7 173.900 173.900 177.077 -3.177 19062 268 1 8 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.916 -0.816 19062 269 1 8 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.946 1.355 19062 270 1 8 . 1 1 8 8 SER N N 8 117.200 117.200 118.917 -1.717 19062 271 1 8 . 1 1 8 8 SER C C 8 173.600 173.600 172.665 0.935 19062 272 1 8 . 1 1 8 8 SER CA C 8 55.400 55.400 57.085 -1.685 19062 273 1 8 . 1 1 8 8 SER CB C 8 63.200 63.200 63.504 -0.304 19062 274 1 8 . 1 1 9 9 PRO C C 9 174.800 174.800 175.826 -1.026 19062 275 1 8 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.240 -0.640 19062 276 1 8 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.222 0.378 19062 277 1 8 . 1 1 10 10 TYR N N 10 127.300 127.300 120.267 7.033 19062 278 1 8 . 1 1 10 10 TYR C C 10 173.600 173.600 175.797 -2.197 19062 279 1 8 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.753 -0.053 19062 280 1 8 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.103 3.697 19062 281 1 9 . 1 1 2 2 THR N N 2 117.000 117.000 117.046 -0.046 19062 282 1 9 . 1 1 2 2 THR C C 2 173.500 173.500 173.759 -0.259 19062 283 1 9 . 1 1 2 2 THR CA C 2 62.600 62.600 62.075 0.525 19062 284 1 9 . 1 1 2 2 THR CB C 2 72.500 72.500 69.964 2.536 19062 285 1 9 . 1 1 3 3 ILE N N 3 127.000 127.000 124.011 2.989 19062 286 1 9 . 1 1 3 3 ILE C C 3 174.100 174.100 175.087 -0.987 19062 287 1 9 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.687 -1.487 19062 288 1 9 . 1 1 3 3 ILE CB C 3 41.800 41.800 40.059 1.741 19062 289 1 9 . 1 1 4 4 ALA N N 4 128.000 128.000 130.036 -2.036 19062 290 1 9 . 1 1 4 4 ALA C C 4 174.500 174.500 176.199 -1.699 19062 291 1 9 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.156 -2.256 19062 292 1 9 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.049 2.051 19062 293 1 9 . 1 1 5 5 ALA N N 5 125.100 125.100 126.614 -1.514 19062 294 1 9 . 1 1 5 5 ALA C C 5 173.300 173.300 176.154 -2.854 19062 295 1 9 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.020 -1.720 19062 296 1 9 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.237 2.663 19062 297 1 9 . 1 1 6 6 LEU N N 6 127.000 127.000 120.526 6.474 19062 298 1 9 . 1 1 6 6 LEU C C 6 174.200 174.200 175.889 -1.689 19062 299 1 9 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.118 -0.718 19062 300 1 9 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.431 2.069 19062 301 1 9 . 1 1 7 7 LEU N N 7 127.500 127.500 122.334 5.166 19062 302 1 9 . 1 1 7 7 LEU C C 7 173.900 173.900 177.019 -3.119 19062 303 1 9 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.861 -0.761 19062 304 1 9 . 1 1 7 7 LEU CB C 7 44.300 44.300 43.141 1.159 19062 305 1 9 . 1 1 8 8 SER N N 8 117.200 117.200 118.497 -1.297 19062 306 1 9 . 1 1 8 8 SER C C 8 173.600 173.600 172.693 0.907 19062 307 1 9 . 1 1 8 8 SER CA C 8 55.400 55.400 56.803 -1.403 19062 308 1 9 . 1 1 8 8 SER CB C 8 63.200 63.200 63.305 -0.105 19062 309 1 9 . 1 1 9 9 PRO C C 9 174.800 174.800 175.895 -1.095 19062 310 1 9 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.184 -0.585 19062 311 1 9 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.245 0.355 19062 312 1 9 . 1 1 10 10 TYR N N 10 127.300 127.300 120.252 7.048 19062 313 1 9 . 1 1 10 10 TYR C C 10 173.600 173.600 176.098 -2.498 19062 314 1 9 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.784 -0.084 19062 315 1 9 . 1 1 10 10 TYR CB C 10 43.800 43.800 39.999 3.801 19062 316 1 10 . 1 1 2 2 THR N N 2 117.000 117.000 117.565 -0.565 19062 317 1 10 . 1 1 2 2 THR C C 2 173.500 173.500 173.739 -0.239 19062 318 1 10 . 1 1 2 2 THR CA C 2 62.600 62.600 61.974 0.626 19062 319 1 10 . 1 1 2 2 THR CB C 2 72.500 72.500 70.083 2.417 19062 320 1 10 . 1 1 3 3 ILE N N 3 127.000 127.000 123.755 3.245 19062 321 1 10 . 1 1 3 3 ILE C C 3 174.100 174.100 175.032 -0.932 19062 322 1 10 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.703 -1.503 19062 323 1 10 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.928 1.872 19062 324 1 10 . 1 1 4 4 ALA N N 4 128.000 128.000 130.047 -2.047 19062 325 1 10 . 1 1 4 4 ALA C C 4 174.500 174.500 176.198 -1.698 19062 326 1 10 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.159 -2.259 19062 327 1 10 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.049 2.051 19062 328 1 10 . 1 1 5 5 ALA N N 5 125.100 125.100 126.643 -1.543 19062 329 1 10 . 1 1 5 5 ALA C C 5 173.300 173.300 176.157 -2.857 19062 330 1 10 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.028 -1.728 19062 331 1 10 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.230 2.670 19062 332 1 10 . 1 1 6 6 LEU N N 6 127.000 127.000 120.620 6.380 19062 333 1 10 . 1 1 6 6 LEU C C 6 174.200 174.200 175.901 -1.701 19062 334 1 10 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.114 -0.714 19062 335 1 10 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.414 2.086 19062 336 1 10 . 1 1 7 7 LEU N N 7 127.500 127.500 121.412 6.088 19062 337 1 10 . 1 1 7 7 LEU C C 7 173.900 173.900 177.146 -3.246 19062 338 1 10 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.924 -0.824 19062 339 1 10 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.978 1.322 19062 340 1 10 . 1 1 8 8 SER N N 8 117.200 117.200 119.124 -1.924 19062 341 1 10 . 1 1 8 8 SER C C 8 173.600 173.600 172.691 0.909 19062 342 1 10 . 1 1 8 8 SER CA C 8 55.400 55.400 57.132 -1.732 19062 343 1 10 . 1 1 8 8 SER CB C 8 63.200 63.200 63.804 -0.604 19062 344 1 10 . 1 1 9 9 PRO C C 9 174.800 174.800 175.847 -1.047 19062 345 1 10 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.283 -0.683 19062 346 1 10 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.227 0.373 19062 347 1 10 . 1 1 10 10 TYR N N 10 127.300 127.300 120.065 7.235 19062 348 1 10 . 1 1 10 10 TYR C C 10 173.600 173.600 176.052 -2.452 19062 349 1 10 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.522 0.178 19062 350 1 10 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.185 3.615 19062 351 1 11 . 1 1 2 2 THR N N 2 117.000 117.000 117.904 -0.904 19062 352 1 11 . 1 1 2 2 THR C C 2 173.500 173.500 173.761 -0.261 19062 353 1 11 . 1 1 2 2 THR CA C 2 62.600 62.600 61.967 0.633 19062 354 1 11 . 1 1 2 2 THR CB C 2 72.500 72.500 70.039 2.461 19062 355 1 11 . 1 1 3 3 ILE N N 3 127.000 127.000 124.208 2.792 19062 356 1 11 . 1 1 3 3 ILE C C 3 174.100 174.100 174.901 -0.801 19062 357 1 11 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.851 -1.651 19062 358 1 11 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.894 1.907 19062 359 1 11 . 1 1 4 4 ALA N N 4 128.000 128.000 130.374 -2.374 19062 360 1 11 . 1 1 4 4 ALA C C 4 174.500 174.500 176.196 -1.696 19062 361 1 11 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.147 -2.247 19062 362 1 11 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.074 2.026 19062 363 1 11 . 1 1 5 5 ALA N N 5 125.100 125.100 126.938 -1.838 19062 364 1 11 . 1 1 5 5 ALA C C 5 173.300 173.300 176.222 -2.922 19062 365 1 11 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.149 -1.849 19062 366 1 11 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.015 2.885 19062 367 1 11 . 1 1 6 6 LEU N N 6 127.000 127.000 121.279 5.721 19062 368 1 11 . 1 1 6 6 LEU C C 6 174.200 174.200 175.968 -1.768 19062 369 1 11 . 1 1 6 6 LEU CA C 6 54.400 54.400 55.063 -0.663 19062 370 1 11 . 1 1 6 6 LEU CB C 6 45.500 45.500 43.454 2.046 19062 371 1 11 . 1 1 7 7 LEU N N 7 127.500 127.500 122.727 4.773 19062 372 1 11 . 1 1 7 7 LEU C C 7 173.900 173.900 177.179 -3.279 19062 373 1 11 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.628 -0.528 19062 374 1 11 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.843 1.457 19062 375 1 11 . 1 1 8 8 SER N N 8 117.200 117.200 119.413 -2.213 19062 376 1 11 . 1 1 8 8 SER C C 8 173.600 173.600 172.664 0.936 19062 377 1 11 . 1 1 8 8 SER CA C 8 55.400 55.400 56.780 -1.380 19062 378 1 11 . 1 1 8 8 SER CB C 8 63.200 63.200 63.209 -0.009 19062 379 1 11 . 1 1 9 9 PRO C C 9 174.800 174.800 175.991 -1.191 19062 380 1 11 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.160 -0.560 19062 381 1 11 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.223 0.377 19062 382 1 11 . 1 1 10 10 TYR N N 10 127.300 127.300 120.070 7.230 19062 383 1 11 . 1 1 10 10 TYR C C 10 173.600 173.600 175.752 -2.152 19062 384 1 11 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.874 -0.174 19062 385 1 11 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.797 3.003 19062 386 1 12 . 1 1 2 2 THR N N 2 117.000 117.000 116.984 0.016 19062 387 1 12 . 1 1 2 2 THR C C 2 173.500 173.500 173.735 -0.235 19062 388 1 12 . 1 1 2 2 THR CA C 2 62.600 62.600 62.115 0.485 19062 389 1 12 . 1 1 2 2 THR CB C 2 72.500 72.500 70.012 2.488 19062 390 1 12 . 1 1 3 3 ILE N N 3 127.000 127.000 123.990 3.010 19062 391 1 12 . 1 1 3 3 ILE C C 3 174.100 174.100 175.056 -0.956 19062 392 1 12 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.579 -1.379 19062 393 1 12 . 1 1 3 3 ILE CB C 3 41.800 41.800 40.030 1.770 19062 394 1 12 . 1 1 4 4 ALA N N 4 128.000 128.000 129.744 -1.744 19062 395 1 12 . 1 1 4 4 ALA C C 4 174.500 174.500 176.135 -1.635 19062 396 1 12 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.045 -2.146 19062 397 1 12 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.227 1.873 19062 398 1 12 . 1 1 5 5 ALA N N 5 125.100 125.100 125.738 -0.638 19062 399 1 12 . 1 1 5 5 ALA C C 5 173.300 173.300 176.227 -2.927 19062 400 1 12 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.028 -1.728 19062 401 1 12 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.270 2.630 19062 402 1 12 . 1 1 6 6 LEU N N 6 127.000 127.000 123.983 3.017 19062 403 1 12 . 1 1 6 6 LEU C C 6 174.200 174.200 175.729 -1.529 19062 404 1 12 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.786 -0.386 19062 405 1 12 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.452 3.048 19062 406 1 12 . 1 1 7 7 LEU N N 7 127.500 127.500 122.936 4.564 19062 407 1 12 . 1 1 7 7 LEU C C 7 173.900 173.900 176.989 -3.089 19062 408 1 12 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.782 -0.682 19062 409 1 12 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.531 1.769 19062 410 1 12 . 1 1 8 8 SER N N 8 117.200 117.200 119.647 -2.447 19062 411 1 12 . 1 1 8 8 SER C C 8 173.600 173.600 172.593 1.007 19062 412 1 12 . 1 1 8 8 SER CA C 8 55.400 55.400 57.125 -1.725 19062 413 1 12 . 1 1 8 8 SER CB C 8 63.200 63.200 63.754 -0.554 19062 414 1 12 . 1 1 9 9 PRO C C 9 174.800 174.800 175.809 -1.009 19062 415 1 12 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.210 -0.610 19062 416 1 12 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.183 0.417 19062 417 1 12 . 1 1 10 10 TYR N N 10 127.300 127.300 119.936 7.364 19062 418 1 12 . 1 1 10 10 TYR C C 10 173.600 173.600 175.802 -2.202 19062 419 1 12 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.849 -0.149 19062 420 1 12 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.402 3.398 19062 421 1 13 . 1 1 2 2 THR N N 2 117.000 117.000 117.603 -0.603 19062 422 1 13 . 1 1 2 2 THR C C 2 173.500 173.500 173.662 -0.162 19062 423 1 13 . 1 1 2 2 THR CA C 2 62.600 62.600 62.077 0.523 19062 424 1 13 . 1 1 2 2 THR CB C 2 72.500 72.500 70.162 2.338 19062 425 1 13 . 1 1 3 3 ILE N N 3 127.000 127.000 123.719 3.281 19062 426 1 13 . 1 1 3 3 ILE C C 3 174.100 174.100 174.947 -0.847 19062 427 1 13 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.595 -1.395 19062 428 1 13 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.873 1.927 19062 429 1 13 . 1 1 4 4 ALA N N 4 128.000 128.000 129.754 -1.754 19062 430 1 13 . 1 1 4 4 ALA C C 4 174.500 174.500 176.132 -1.632 19062 431 1 13 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.041 -2.140 19062 432 1 13 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.227 1.873 19062 433 1 13 . 1 1 5 5 ALA N N 5 125.100 125.100 125.742 -0.642 19062 434 1 13 . 1 1 5 5 ALA C C 5 173.300 173.300 176.225 -2.925 19062 435 1 13 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.029 -1.729 19062 436 1 13 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.275 2.625 19062 437 1 13 . 1 1 6 6 LEU N N 6 127.000 127.000 123.651 3.349 19062 438 1 13 . 1 1 6 6 LEU C C 6 174.200 174.200 175.903 -1.703 19062 439 1 13 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.656 -0.256 19062 440 1 13 . 1 1 6 6 LEU CB C 6 45.500 45.500 41.843 3.657 19062 441 1 13 . 1 1 7 7 LEU N N 7 127.500 127.500 124.012 3.488 19062 442 1 13 . 1 1 7 7 LEU C C 7 173.900 173.900 177.119 -3.219 19062 443 1 13 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.769 -0.669 19062 444 1 13 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.602 1.698 19062 445 1 13 . 1 1 8 8 SER N N 8 117.200 117.200 119.101 -1.901 19062 446 1 13 . 1 1 8 8 SER C C 8 173.600 173.600 172.601 0.999 19062 447 1 13 . 1 1 8 8 SER CA C 8 55.400 55.400 56.831 -1.431 19062 448 1 13 . 1 1 8 8 SER CB C 8 63.200 63.200 63.563 -0.363 19062 449 1 13 . 1 1 9 9 PRO C C 9 174.800 174.800 175.841 -1.041 19062 450 1 13 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.101 -0.501 19062 451 1 13 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.227 0.373 19062 452 1 13 . 1 1 10 10 TYR N N 10 127.300 127.300 120.367 6.933 19062 453 1 13 . 1 1 10 10 TYR C C 10 173.600 173.600 176.035 -2.435 19062 454 1 13 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.955 -0.255 19062 455 1 13 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.232 3.568 19062 456 1 14 . 1 1 2 2 THR N N 2 117.000 117.000 117.006 -0.006 19062 457 1 14 . 1 1 2 2 THR C C 2 173.500 173.500 173.661 -0.161 19062 458 1 14 . 1 1 2 2 THR CA C 2 62.600 62.600 61.985 0.615 19062 459 1 14 . 1 1 2 2 THR CB C 2 72.500 72.500 70.065 2.435 19062 460 1 14 . 1 1 3 3 ILE N N 3 127.000 127.000 123.957 3.043 19062 461 1 14 . 1 1 3 3 ILE C C 3 174.100 174.100 175.024 -0.924 19062 462 1 14 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.511 -1.311 19062 463 1 14 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.931 1.869 19062 464 1 14 . 1 1 4 4 ALA N N 4 128.000 128.000 129.765 -1.765 19062 465 1 14 . 1 1 4 4 ALA C C 4 174.500 174.500 176.119 -1.619 19062 466 1 14 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.046 -2.146 19062 467 1 14 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.232 1.868 19062 468 1 14 . 1 1 5 5 ALA N N 5 125.100 125.100 125.779 -0.679 19062 469 1 14 . 1 1 5 5 ALA C C 5 173.300 173.300 176.222 -2.922 19062 470 1 14 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.032 -1.732 19062 471 1 14 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.271 2.629 19062 472 1 14 . 1 1 6 6 LEU N N 6 127.000 127.000 123.991 3.009 19062 473 1 14 . 1 1 6 6 LEU C C 6 174.200 174.200 175.724 -1.524 19062 474 1 14 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.752 -0.352 19062 475 1 14 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.467 3.033 19062 476 1 14 . 1 1 7 7 LEU N N 7 127.500 127.500 123.198 4.302 19062 477 1 14 . 1 1 7 7 LEU C C 7 173.900 173.900 176.804 -2.904 19062 478 1 14 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.767 -0.667 19062 479 1 14 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.315 1.985 19062 480 1 14 . 1 1 8 8 SER N N 8 117.200 117.200 118.583 -1.383 19062 481 1 14 . 1 1 8 8 SER C C 8 173.600 173.600 172.637 0.963 19062 482 1 14 . 1 1 8 8 SER CA C 8 55.400 55.400 56.886 -1.486 19062 483 1 14 . 1 1 8 8 SER CB C 8 63.200 63.200 63.315 -0.115 19062 484 1 14 . 1 1 9 9 PRO C C 9 174.800 174.800 175.733 -0.933 19062 485 1 14 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.175 -0.575 19062 486 1 14 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.139 0.460 19062 487 1 14 . 1 1 10 10 TYR N N 10 127.300 127.300 120.395 6.905 19062 488 1 14 . 1 1 10 10 TYR C C 10 173.600 173.600 175.893 -2.293 19062 489 1 14 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.975 -0.275 19062 490 1 14 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.266 3.534 19062 491 1 15 . 1 1 2 2 THR N N 2 117.000 117.000 117.006 -0.006 19062 492 1 15 . 1 1 2 2 THR C C 2 173.500 173.500 173.746 -0.246 19062 493 1 15 . 1 1 2 2 THR CA C 2 62.600 62.600 62.109 0.491 19062 494 1 15 . 1 1 2 2 THR CB C 2 72.500 72.500 70.020 2.480 19062 495 1 15 . 1 1 3 3 ILE N N 3 127.000 127.000 123.983 3.017 19062 496 1 15 . 1 1 3 3 ILE C C 3 174.100 174.100 175.041 -0.941 19062 497 1 15 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.585 -1.385 19062 498 1 15 . 1 1 3 3 ILE CB C 3 41.800 41.800 40.030 1.770 19062 499 1 15 . 1 1 4 4 ALA N N 4 128.000 128.000 129.679 -1.679 19062 500 1 15 . 1 1 4 4 ALA C C 4 174.500 174.500 176.126 -1.626 19062 501 1 15 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.033 -2.134 19062 502 1 15 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.268 1.832 19062 503 1 15 . 1 1 5 5 ALA N N 5 125.100 125.100 125.655 -0.555 19062 504 1 15 . 1 1 5 5 ALA C C 5 173.300 173.300 176.230 -2.930 19062 505 1 15 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.026 -1.726 19062 506 1 15 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.264 2.636 19062 507 1 15 . 1 1 6 6 LEU N N 6 127.000 127.000 123.977 3.023 19062 508 1 15 . 1 1 6 6 LEU C C 6 174.200 174.200 175.721 -1.521 19062 509 1 15 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.780 -0.380 19062 510 1 15 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.465 3.035 19062 511 1 15 . 1 1 7 7 LEU N N 7 127.500 127.500 122.860 4.640 19062 512 1 15 . 1 1 7 7 LEU C C 7 173.900 173.900 176.938 -3.038 19062 513 1 15 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.782 -0.682 19062 514 1 15 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.495 1.806 19062 515 1 15 . 1 1 8 8 SER N N 8 117.200 117.200 119.607 -2.407 19062 516 1 15 . 1 1 8 8 SER C C 8 173.600 173.600 172.604 0.996 19062 517 1 15 . 1 1 8 8 SER CA C 8 55.400 55.400 57.040 -1.640 19062 518 1 15 . 1 1 8 8 SER CB C 8 63.200 63.200 63.630 -0.430 19062 519 1 15 . 1 1 9 9 PRO C C 9 174.800 174.800 175.808 -1.008 19062 520 1 15 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.212 -0.612 19062 521 1 15 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.195 0.405 19062 522 1 15 . 1 1 10 10 TYR N N 10 127.300 127.300 120.367 6.933 19062 523 1 15 . 1 1 10 10 TYR C C 10 173.600 173.600 175.902 -2.302 19062 524 1 15 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.972 -0.272 19062 525 1 15 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.287 3.513 19062 526 1 16 . 1 1 2 2 THR N N 2 117.000 117.000 117.611 -0.611 19062 527 1 16 . 1 1 2 2 THR C C 2 173.500 173.500 173.744 -0.244 19062 528 1 16 . 1 1 2 2 THR CA C 2 62.600 62.600 61.956 0.644 19062 529 1 16 . 1 1 2 2 THR CB C 2 72.500 72.500 70.097 2.403 19062 530 1 16 . 1 1 3 3 ILE N N 3 127.000 127.000 123.774 3.226 19062 531 1 16 . 1 1 3 3 ILE C C 3 174.100 174.100 174.975 -0.875 19062 532 1 16 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.648 -1.448 19062 533 1 16 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.947 1.853 19062 534 1 16 . 1 1 4 4 ALA N N 4 128.000 128.000 129.727 -1.727 19062 535 1 16 . 1 1 4 4 ALA C C 4 174.500 174.500 176.137 -1.637 19062 536 1 16 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.051 -2.151 19062 537 1 16 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.233 1.867 19062 538 1 16 . 1 1 5 5 ALA N N 5 125.100 125.100 125.715 -0.615 19062 539 1 16 . 1 1 5 5 ALA C C 5 173.300 173.300 176.222 -2.922 19062 540 1 16 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.026 -1.726 19062 541 1 16 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.272 2.628 19062 542 1 16 . 1 1 6 6 LEU N N 6 127.000 127.000 123.966 3.034 19062 543 1 16 . 1 1 6 6 LEU C C 6 174.200 174.200 175.721 -1.521 19062 544 1 16 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.791 -0.391 19062 545 1 16 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.462 3.038 19062 546 1 16 . 1 1 7 7 LEU N N 7 127.500 127.500 124.090 3.410 19062 547 1 16 . 1 1 7 7 LEU C C 7 173.900 173.900 176.992 -3.092 19062 548 1 16 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.798 -0.698 19062 549 1 16 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.592 1.708 19062 550 1 16 . 1 1 8 8 SER N N 8 117.200 117.200 118.935 -1.735 19062 551 1 16 . 1 1 8 8 SER C C 8 173.600 173.600 172.619 0.981 19062 552 1 16 . 1 1 8 8 SER CA C 8 55.400 55.400 56.863 -1.463 19062 553 1 16 . 1 1 8 8 SER CB C 8 63.200 63.200 63.189 0.011 19062 554 1 16 . 1 1 9 9 PRO C C 9 174.800 174.800 175.846 -1.046 19062 555 1 16 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.118 -0.518 19062 556 1 16 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.201 0.399 19062 557 1 16 . 1 1 10 10 TYR N N 10 127.300 127.300 120.487 6.813 19062 558 1 16 . 1 1 10 10 TYR C C 10 173.600 173.600 175.850 -2.250 19062 559 1 16 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.964 -0.264 19062 560 1 16 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.256 3.544 19062 561 1 17 . 1 1 2 2 THR N N 2 117.000 117.000 117.608 -0.608 19062 562 1 17 . 1 1 2 2 THR C C 2 173.500 173.500 173.706 -0.206 19062 563 1 17 . 1 1 2 2 THR CA C 2 62.600 62.600 61.995 0.605 19062 564 1 17 . 1 1 2 2 THR CB C 2 72.500 72.500 70.127 2.373 19062 565 1 17 . 1 1 3 3 ILE N N 3 127.000 127.000 123.705 3.295 19062 566 1 17 . 1 1 3 3 ILE C C 3 174.100 174.100 174.943 -0.843 19062 567 1 17 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.654 -1.454 19062 568 1 17 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.931 1.869 19062 569 1 17 . 1 1 4 4 ALA N N 4 128.000 128.000 129.748 -1.748 19062 570 1 17 . 1 1 4 4 ALA C C 4 174.500 174.500 176.128 -1.628 19062 571 1 17 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.045 -2.145 19062 572 1 17 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.231 1.869 19062 573 1 17 . 1 1 5 5 ALA N N 5 125.100 125.100 125.760 -0.660 19062 574 1 17 . 1 1 5 5 ALA C C 5 173.300 173.300 176.231 -2.931 19062 575 1 17 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.039 -1.739 19062 576 1 17 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.265 2.635 19062 577 1 17 . 1 1 6 6 LEU N N 6 127.000 127.000 123.675 3.325 19062 578 1 17 . 1 1 6 6 LEU C C 6 174.200 174.200 175.902 -1.702 19062 579 1 17 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.653 -0.253 19062 580 1 17 . 1 1 6 6 LEU CB C 6 45.500 45.500 41.883 3.616 19062 581 1 17 . 1 1 7 7 LEU N N 7 127.500 127.500 123.882 3.618 19062 582 1 17 . 1 1 7 7 LEU C C 7 173.900 173.900 177.099 -3.199 19062 583 1 17 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.772 -0.672 19062 584 1 17 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.650 1.650 19062 585 1 17 . 1 1 8 8 SER N N 8 117.200 117.200 119.098 -1.898 19062 586 1 17 . 1 1 8 8 SER C C 8 173.600 173.600 172.589 1.011 19062 587 1 17 . 1 1 8 8 SER CA C 8 55.400 55.400 56.735 -1.335 19062 588 1 17 . 1 1 8 8 SER CB C 8 63.200 63.200 63.518 -0.318 19062 589 1 17 . 1 1 9 9 PRO C C 9 174.800 174.800 175.839 -1.039 19062 590 1 17 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.088 -0.488 19062 591 1 17 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.231 0.369 19062 592 1 17 . 1 1 10 10 TYR N N 10 127.300 127.300 120.369 6.931 19062 593 1 17 . 1 1 10 10 TYR C C 10 173.600 173.600 175.993 -2.393 19062 594 1 17 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.973 -0.273 19062 595 1 17 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.209 3.591 19062 596 1 18 . 1 1 2 2 THR N N 2 117.000 117.000 117.624 -0.624 19062 597 1 18 . 1 1 2 2 THR C C 2 173.500 173.500 173.727 -0.227 19062 598 1 18 . 1 1 2 2 THR CA C 2 62.600 62.600 61.958 0.642 19062 599 1 18 . 1 1 2 2 THR CB C 2 72.500 72.500 70.112 2.388 19062 600 1 18 . 1 1 3 3 ILE N N 3 127.000 127.000 123.745 3.255 19062 601 1 18 . 1 1 3 3 ILE C C 3 174.100 174.100 174.963 -0.863 19062 602 1 18 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.634 -1.434 19062 603 1 18 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.945 1.855 19062 604 1 18 . 1 1 4 4 ALA N N 4 128.000 128.000 129.668 -1.668 19062 605 1 18 . 1 1 4 4 ALA C C 4 174.500 174.500 176.130 -1.630 19062 606 1 18 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.021 -2.121 19062 607 1 18 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.268 1.832 19062 608 1 18 . 1 1 5 5 ALA N N 5 125.100 125.100 125.661 -0.561 19062 609 1 18 . 1 1 5 5 ALA C C 5 173.300 173.300 176.228 -2.928 19062 610 1 18 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.040 -1.740 19062 611 1 18 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.258 2.642 19062 612 1 18 . 1 1 6 6 LEU N N 6 127.000 127.000 124.003 2.997 19062 613 1 18 . 1 1 6 6 LEU C C 6 174.200 174.200 175.732 -1.532 19062 614 1 18 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.782 -0.382 19062 615 1 18 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.480 3.020 19062 616 1 18 . 1 1 7 7 LEU N N 7 127.500 127.500 123.360 4.140 19062 617 1 18 . 1 1 7 7 LEU C C 7 173.900 173.900 177.049 -3.149 19062 618 1 18 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.786 -0.686 19062 619 1 18 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.593 1.706 19062 620 1 18 . 1 1 8 8 SER N N 8 117.200 117.200 119.465 -2.265 19062 621 1 18 . 1 1 8 8 SER C C 8 173.600 173.600 172.610 0.990 19062 622 1 18 . 1 1 8 8 SER CA C 8 55.400 55.400 57.391 -1.991 19062 623 1 18 . 1 1 8 8 SER CB C 8 63.200 63.200 63.726 -0.526 19062 624 1 18 . 1 1 9 9 PRO C C 9 174.800 174.800 175.845 -1.045 19062 625 1 18 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.217 -0.617 19062 626 1 18 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.167 0.433 19062 627 1 18 . 1 1 10 10 TYR N N 10 127.300 127.300 120.514 6.786 19062 628 1 18 . 1 1 10 10 TYR C C 10 173.600 173.600 175.900 -2.300 19062 629 1 18 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.985 -0.285 19062 630 1 18 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.264 3.536 19062 631 1 19 . 1 1 2 2 THR N N 2 117.000 117.000 116.959 0.041 19062 632 1 19 . 1 1 2 2 THR C C 2 173.500 173.500 173.732 -0.232 19062 633 1 19 . 1 1 2 2 THR CA C 2 62.600 62.600 62.122 0.478 19062 634 1 19 . 1 1 2 2 THR CB C 2 72.500 72.500 70.018 2.482 19062 635 1 19 . 1 1 3 3 ILE N N 3 127.000 127.000 123.926 3.074 19062 636 1 19 . 1 1 3 3 ILE C C 3 174.100 174.100 175.054 -0.954 19062 637 1 19 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.587 -1.387 19062 638 1 19 . 1 1 3 3 ILE CB C 3 41.800 41.800 40.052 1.748 19062 639 1 19 . 1 1 4 4 ALA N N 4 128.000 128.000 129.717 -1.717 19062 640 1 19 . 1 1 4 4 ALA C C 4 174.500 174.500 176.140 -1.640 19062 641 1 19 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.043 -2.143 19062 642 1 19 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.225 1.875 19062 643 1 19 . 1 1 5 5 ALA N N 5 125.100 125.100 125.746 -0.646 19062 644 1 19 . 1 1 5 5 ALA C C 5 173.300 173.300 176.224 -2.924 19062 645 1 19 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.025 -1.725 19062 646 1 19 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.276 2.624 19062 647 1 19 . 1 1 6 6 LEU N N 6 127.000 127.000 123.647 3.353 19062 648 1 19 . 1 1 6 6 LEU C C 6 174.200 174.200 175.898 -1.698 19062 649 1 19 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.636 -0.236 19062 650 1 19 . 1 1 6 6 LEU CB C 6 45.500 45.500 41.886 3.614 19062 651 1 19 . 1 1 7 7 LEU N N 7 127.500 127.500 123.985 3.515 19062 652 1 19 . 1 1 7 7 LEU C C 7 173.900 173.900 177.078 -3.178 19062 653 1 19 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.771 -0.671 19062 654 1 19 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.628 1.672 19062 655 1 19 . 1 1 8 8 SER N N 8 117.200 117.200 119.136 -1.936 19062 656 1 19 . 1 1 8 8 SER C C 8 173.600 173.600 172.600 1.000 19062 657 1 19 . 1 1 8 8 SER CA C 8 55.400 55.400 56.798 -1.398 19062 658 1 19 . 1 1 8 8 SER CB C 8 63.200 63.200 63.477 -0.277 19062 659 1 19 . 1 1 9 9 PRO C C 9 174.800 174.800 175.811 -1.011 19062 660 1 19 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.092 -0.492 19062 661 1 19 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.227 0.373 19062 662 1 19 . 1 1 10 10 TYR N N 10 127.300 127.300 120.216 7.084 19062 663 1 19 . 1 1 10 10 TYR C C 10 173.600 173.600 175.943 -2.343 19062 664 1 19 . 1 1 10 10 TYR CA C 10 57.700 57.700 58.005 -0.305 19062 665 1 19 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.270 3.530 19062 666 1 20 . 1 1 2 2 THR N N 2 117.000 117.000 117.025 -0.025 19062 667 1 20 . 1 1 2 2 THR C C 2 173.500 173.500 173.748 -0.248 19062 668 1 20 . 1 1 2 2 THR CA C 2 62.600 62.600 62.089 0.511 19062 669 1 20 . 1 1 2 2 THR CB C 2 72.500 72.500 70.008 2.492 19062 670 1 20 . 1 1 3 3 ILE N N 3 127.000 127.000 123.952 3.048 19062 671 1 20 . 1 1 3 3 ILE C C 3 174.100 174.100 175.039 -0.939 19062 672 1 20 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.603 -1.403 19062 673 1 20 . 1 1 3 3 ILE CB C 3 41.800 41.800 40.057 1.743 19062 674 1 20 . 1 1 4 4 ALA N N 4 128.000 128.000 129.693 -1.693 19062 675 1 20 . 1 1 4 4 ALA C C 4 174.500 174.500 176.137 -1.637 19062 676 1 20 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.031 -2.131 19062 677 1 20 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.242 1.858 19062 678 1 20 . 1 1 5 5 ALA N N 5 125.100 125.100 125.710 -0.610 19062 679 1 20 . 1 1 5 5 ALA C C 5 173.300 173.300 176.226 -2.926 19062 680 1 20 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.038 -1.738 19062 681 1 20 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.267 2.633 19062 682 1 20 . 1 1 6 6 LEU N N 6 127.000 127.000 123.994 3.006 19062 683 1 20 . 1 1 6 6 LEU C C 6 174.200 174.200 175.729 -1.529 19062 684 1 20 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.767 -0.367 19062 685 1 20 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.467 3.033 19062 686 1 20 . 1 1 7 7 LEU N N 7 127.500 127.500 123.088 4.412 19062 687 1 20 . 1 1 7 7 LEU C C 7 173.900 173.900 176.775 -2.875 19062 688 1 20 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.762 -0.662 19062 689 1 20 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.301 1.999 19062 690 1 20 . 1 1 8 8 SER N N 8 117.200 117.200 118.386 -1.186 19062 691 1 20 . 1 1 8 8 SER C C 8 173.600 173.600 172.663 0.937 19062 692 1 20 . 1 1 8 8 SER CA C 8 55.400 55.400 56.820 -1.420 19062 693 1 20 . 1 1 8 8 SER CB C 8 63.200 63.200 63.346 -0.146 19062 694 1 20 . 1 1 9 9 PRO C C 9 174.800 174.800 175.778 -0.978 19062 695 1 20 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.170 -0.570 19062 696 1 20 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.155 0.445 19062 697 1 20 . 1 1 10 10 TYR N N 10 127.300 127.300 120.567 6.733 19062 698 1 20 . 1 1 10 10 TYR C C 10 173.600 173.600 175.812 -2.212 19062 699 1 20 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.945 -0.245 19062 700 1 20 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.239 3.561 19062 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 8 4.304 -2.067 4.036 19062 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19062 3 1 1 "Average Difference" C 9 1.911 1.461 1.307 19062 4 1 1 "Average Difference" CA 9 1.313 1.004 0.898 19062 5 1 1 "Average Difference" CB 9 2.085 -1.763 1.181 19062 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19062 7 1 2 "Average Difference" N 8 4.280 -2.100 3.987 19062 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19062 9 1 2 "Average Difference" C 9 1.905 1.445 1.317 19062 10 1 2 "Average Difference" CA 9 1.316 1.011 0.893 19062 11 1 2 "Average Difference" CB 9 2.086 -1.758 1.192 19062 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19062 13 1 3 "Average Difference" N 8 4.075 -2.024 3.781 19062 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19062 15 1 3 "Average Difference" C 9 1.879 1.449 1.269 19062 16 1 3 "Average Difference" CA 9 1.247 0.942 0.866 19062 17 1 3 "Average Difference" CB 9 2.074 -1.782 1.125 19062 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19062 19 1 4 "Average Difference" N 8 4.090 -1.963 3.836 19062 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19062 21 1 4 "Average Difference" C 9 1.892 1.444 1.296 19062 22 1 4 "Average Difference" CA 9 1.248 0.957 0.850 19062 23 1 4 "Average Difference" CB 9 2.067 -1.773 1.127 19062 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19062 25 1 5 "Average Difference" N 8 4.139 -2.179 3.762 19062 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19062 27 1 5 "Average Difference" C 9 1.876 1.448 1.265 19062 28 1 5 "Average Difference" CA 9 1.277 0.964 0.888 19062 29 1 5 "Average Difference" CB 9 2.094 -1.822 1.095 19062 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19062 31 1 6 "Average Difference" N 8 4.345 -2.179 4.019 19062 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19062 33 1 6 "Average Difference" C 9 1.916 1.455 1.322 19062 34 1 6 "Average Difference" CA 9 1.255 0.951 0.868 19062 35 1 6 "Average Difference" CB 9 2.128 -1.768 1.256 19062 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19062 37 1 7 "Average Difference" N 8 4.290 -2.132 3.979 19062 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19062 39 1 7 "Average Difference" C 9 1.949 1.493 1.328 19062 40 1 7 "Average Difference" CA 9 1.296 0.991 0.885 19062 41 1 7 "Average Difference" CB 9 2.170 -1.793 1.297 19062 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19062 43 1 8 "Average Difference" N 8 4.275 -2.154 3.947 19062 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19062 45 1 8 "Average Difference" C 9 1.874 1.416 1.301 19062 46 1 8 "Average Difference" CA 9 1.290 0.969 0.903 19062 47 1 8 "Average Difference" CB 9 2.131 -1.804 1.203 19062 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19062 49 1 9 "Average Difference" N 8 4.113 -2.098 3.782 19062 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19062 51 1 9 "Average Difference" C 9 1.912 1.477 1.289 19062 52 1 9 "Average Difference" CA 9 1.245 0.943 0.862 19062 53 1 9 "Average Difference" CB 9 2.134 -1.808 1.202 19062 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19062 55 1 10 "Average Difference" N 8 4.348 -2.109 4.065 19062 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19062 57 1 10 "Average Difference" C 9 1.925 1.474 1.313 19062 58 1 10 "Average Difference" CA 9 1.309 0.960 0.944 19062 59 1 10 "Average Difference" CB 9 2.118 -1.756 1.256 19062 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19062 61 1 11 "Average Difference" N 8 4.036 -1.648 3.938 19062 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 19062 63 1 11 "Average Difference" C 9 1.913 1.459 1.312 19062 64 1 11 "Average Difference" CA 9 1.272 0.935 0.914 19062 65 1 11 "Average Difference" CB 9 2.044 -1.795 1.037 19062 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 19062 67 1 12 "Average Difference" N 8 3.582 -1.643 3.403 19062 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 19062 69 1 12 "Average Difference" C 9 1.855 1.397 1.294 19062 70 1 12 "Average Difference" CA 9 1.234 0.924 0.867 19062 71 1 12 "Average Difference" CB 9 2.216 -1.871 1.259 19062 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 19062 73 1 13 "Average Difference" N 8 3.348 -1.519 3.190 19062 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 19062 75 1 13 "Average Difference" C 9 1.922 1.441 1.349 19062 76 1 13 "Average Difference" CA 9 1.186 0.873 0.852 19062 77 1 13 "Average Difference" CB 9 2.329 -1.966 1.325 19062 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 19062 79 1 14 "Average Difference" N 8 3.354 -1.678 3.104 19062 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 19062 81 1 14 "Average Difference" C 9 1.821 1.369 1.274 19062 82 1 14 "Average Difference" CA 9 1.197 0.881 0.859 19062 83 1 14 "Average Difference" CB 9 2.253 -1.967 1.166 19062 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 19062 85 1 15 "Average Difference" N 8 3.478 -1.621 3.289 19062 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 19062 87 1 15 "Average Difference" C 9 1.857 1.402 1.291 19062 88 1 15 "Average Difference" CA 9 1.222 0.927 0.845 19062 89 1 15 "Average Difference" CB 9 2.230 -1.894 1.248 19062 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 19062 91 1 16 "Average Difference" N 8 3.248 -1.474 3.094 19062 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 19062 93 1 16 "Average Difference" C 9 1.857 1.401 1.293 19062 94 1 16 "Average Difference" CA 9 1.213 0.890 0.873 19062 95 1 16 "Average Difference" CB 9 2.223 -1.939 1.153 19062 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 19062 97 1 17 "Average Difference" N 8 3.363 -1.532 3.201 19062 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 19062 99 1 17 "Average Difference" C 9 1.913 1.437 1.341 19062 100 1 17 "Average Difference" CA 9 1.189 0.862 0.868 19062 101 1 17 "Average Difference" CB 9 2.321 -1.962 1.316 19062 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 19062 103 1 18 "Average Difference" N 8 3.380 -1.507 3.234 19062 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 19062 105 1 18 "Average Difference" C 9 1.875 1.409 1.312 19062 106 1 18 "Average Difference" CA 9 1.293 0.957 0.921 19062 107 1 18 "Average Difference" CB 9 2.223 -1.876 1.265 19062 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 19062 109 1 19 "Average Difference" N 8 3.361 -1.596 3.162 19062 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 19062 111 1 19 "Average Difference" C 9 1.906 1.442 1.322 19062 112 1 19 "Average Difference" CA 9 1.179 0.875 0.838 19062 113 1 19 "Average Difference" CB 9 2.313 -1.960 1.303 19062 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 19062 115 1 20 "Average Difference" N 8 3.312 -1.711 3.032 19062 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 19062 117 1 20 "Average Difference" C 9 1.811 1.379 1.246 19062 118 1 20 "Average Difference" CA 9 1.191 0.892 0.837 19062 119 1 20 "Average Difference" CB 9 2.254 -1.957 1.185 19062 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 19062 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 19062 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 THR N N 2 117.000 117.000 117.308 -0.307 19062 2 1 . 1 1 2 2 THR C C 2 173.500 173.500 173.715 -0.215 19062 3 1 . 1 1 2 2 THR CA C 2 62.600 62.600 62.022 0.578 19062 4 1 . 1 1 2 2 THR CB C 2 72.500 72.500 70.055 2.445 19062 5 1 . 1 1 3 3 ILE N N 3 127.000 127.000 123.891 3.109 19062 6 1 . 1 1 3 3 ILE C C 3 174.100 174.100 175.012 -0.912 19062 7 1 . 1 1 3 3 ILE CA C 3 60.200 60.200 61.655 -1.455 19062 8 1 . 1 1 3 3 ILE CB C 3 41.800 41.800 39.958 1.843 19062 9 1 . 1 1 4 4 ALA N N 4 128.000 128.000 129.941 -1.941 19062 10 1 . 1 1 4 4 ALA C C 4 174.500 174.500 176.167 -1.667 19062 11 1 . 1 1 4 4 ALA CA C 4 49.900 49.900 52.105 -2.205 19062 12 1 . 1 1 4 4 ALA CB C 4 22.100 22.100 20.138 1.962 19062 13 1 . 1 1 5 5 ALA N N 5 125.100 125.100 126.241 -1.141 19062 14 1 . 1 1 5 5 ALA C C 5 173.300 173.300 176.193 -2.893 19062 15 1 . 1 1 5 5 ALA CA C 5 50.300 50.300 52.037 -1.737 19062 16 1 . 1 1 5 5 ALA CB C 5 22.900 22.900 20.234 2.666 19062 17 1 . 1 1 6 6 LEU N N 6 127.000 127.000 122.134 4.866 19062 18 1 . 1 1 6 6 LEU C C 6 174.200 174.200 175.844 -1.644 19062 19 1 . 1 1 6 6 LEU CA C 6 54.400 54.400 54.945 -0.545 19062 20 1 . 1 1 6 6 LEU CB C 6 45.500 45.500 42.907 2.593 19062 21 1 . 1 1 7 7 LEU N N 7 127.500 127.500 122.547 4.953 19062 22 1 . 1 1 7 7 LEU C C 7 173.900 173.900 177.044 -3.144 19062 23 1 . 1 1 7 7 LEU CA C 7 54.100 54.100 54.829 -0.729 19062 24 1 . 1 1 7 7 LEU CB C 7 44.300 44.300 42.785 1.515 19062 25 1 . 1 1 8 8 SER N N 8 117.200 117.200 118.958 -1.758 19062 26 1 . 1 1 8 8 SER C C 8 173.600 173.600 172.658 0.942 19062 27 1 . 1 1 8 8 SER CA C 8 55.400 55.400 56.948 -1.548 19062 28 1 . 1 1 8 8 SER CB C 8 63.200 63.200 63.499 -0.299 19062 29 1 . 1 1 9 9 PRO C C 9 174.800 174.800 175.840 -1.040 19062 30 1 . 1 1 9 9 PRO CA C 9 62.600 62.600 63.186 -0.587 19062 31 1 . 1 1 9 9 PRO CB C 9 32.600 32.600 32.206 0.394 19062 32 1 . 1 1 10 10 TYR N N 10 127.300 127.300 120.306 6.994 19062 33 1 . 1 1 10 10 TYR C C 10 173.600 173.600 175.941 -2.341 19062 34 1 . 1 1 10 10 TYR CA C 10 57.700 57.700 57.890 -0.190 19062 35 1 . 1 1 10 10 TYR CB C 10 43.800 43.800 40.264 3.536 19062 stop_ save_