data_18128 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18128 _Entry.PDB_ID 2LMO 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 18128 _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 10 10 TYR C C 10 175.000 175.000 175.661 -0.661 18128 2 1 1 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.468 -0.168 18128 3 1 1 . 1 1 10 10 TYR CB C 10 42.100 42.100 40.446 1.654 18128 4 1 1 . 1 1 12 12 VAL C C 12 174.600 174.600 174.963 -0.363 18128 5 1 1 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.718 -1.318 18128 6 1 1 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.426 1.874 18128 7 1 1 . 1 1 13 13 HIS C C 13 174.200 174.200 174.353 -0.153 18128 8 1 1 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.145 -0.945 18128 9 1 1 . 1 1 13 13 HIS CB C 13 34.800 34.800 31.373 3.427 18128 10 1 1 . 1 1 14 14 HIS C C 14 174.200 174.200 174.639 -0.439 18128 11 1 1 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.536 -0.136 18128 12 1 1 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.129 1.971 18128 13 1 1 . 1 1 15 15 GLN N N 15 123.800 123.800 118.427 5.373 18128 14 1 1 . 1 1 15 15 GLN C C 15 173.600 173.600 174.842 -1.242 18128 15 1 1 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.014 -0.014 18128 16 1 1 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.677 1.823 18128 17 1 1 . 1 1 16 16 LYS N N 16 126.400 126.400 121.839 4.561 18128 18 1 1 . 1 1 16 16 LYS C C 16 174.100 174.100 175.512 -1.412 18128 19 1 1 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.201 -1.501 18128 20 1 1 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.218 2.782 18128 21 1 1 . 1 1 17 17 LEU C C 17 174.600 174.600 175.745 -1.145 18128 22 1 1 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.250 0.250 18128 23 1 1 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.033 3.367 18128 24 1 1 . 1 1 18 18 VAL C C 18 172.800 172.800 174.501 -1.701 18128 25 1 1 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.666 -0.765 18128 26 1 1 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.879 1.722 18128 27 1 1 . 1 1 19 19 PHE C C 19 171.900 171.900 175.026 -3.126 18128 28 1 1 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.504 -1.004 18128 29 1 1 . 1 1 19 19 PHE CB C 19 42.600 42.600 41.142 1.458 18128 30 1 1 . 1 1 20 20 PHE C C 20 172.200 172.200 174.414 -2.214 18128 31 1 1 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.068 -1.068 18128 32 1 1 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.294 2.606 18128 33 1 1 . 1 1 21 21 ALA C C 21 175.000 175.000 176.569 -1.569 18128 34 1 1 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.675 -1.575 18128 35 1 1 . 1 1 21 21 ALA CB C 21 22.700 22.700 20.316 2.384 18128 36 1 1 . 1 1 22 22 GLU C C 22 174.900 174.900 174.899 0.001 18128 37 1 1 . 1 1 22 22 GLU CA C 22 53.900 53.900 55.754 -1.854 18128 38 1 1 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.758 2.342 18128 39 1 1 . 1 1 23 23 ASP N N 23 126.900 126.900 121.677 5.223 18128 40 1 1 . 1 1 23 23 ASP C C 23 174.200 174.200 176.255 -2.055 18128 41 1 1 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.336 3.464 18128 42 1 1 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.875 -2.675 18128 43 1 1 . 1 1 24 24 VAL N N 24 121.200 121.200 123.033 -1.833 18128 44 1 1 . 1 1 24 24 VAL C C 24 174.500 174.500 177.175 -2.675 18128 45 1 1 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.778 -1.478 18128 46 1 1 . 1 1 24 24 VAL CB C 24 32.900 32.900 31.917 0.983 18128 47 1 1 . 1 1 25 25 GLY N N 25 118.000 118.000 109.014 8.986 18128 48 1 1 . 1 1 25 25 GLY C C 25 171.300 171.300 174.609 -3.309 18128 49 1 1 . 1 1 25 25 GLY CA C 25 47.000 47.000 46.754 0.246 18128 50 1 1 . 1 1 26 26 SER N N 26 112.600 112.600 114.850 -2.250 18128 51 1 1 . 1 1 26 26 SER C C 26 174.100 174.100 173.503 0.597 18128 52 1 1 . 1 1 26 26 SER CA C 26 56.400 56.400 56.718 -0.317 18128 53 1 1 . 1 1 26 26 SER CB C 26 65.700 65.700 63.873 1.827 18128 54 1 1 . 1 1 27 27 ASN N N 27 124.000 124.000 118.672 5.328 18128 55 1 1 . 1 1 27 27 ASN C C 27 174.300 174.300 173.799 0.501 18128 56 1 1 . 1 1 27 27 ASN CA C 27 53.300 53.300 54.533 -1.233 18128 57 1 1 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.819 1.581 18128 58 1 1 . 1 1 28 28 LYS N N 28 124.000 124.000 120.221 3.779 18128 59 1 1 . 1 1 28 28 LYS C C 28 173.600 173.600 176.532 -2.932 18128 60 1 1 . 1 1 28 28 LYS CA C 28 55.500 55.500 55.958 -0.458 18128 61 1 1 . 1 1 28 28 LYS CB C 28 35.000 35.000 33.864 1.136 18128 62 1 1 . 1 1 29 29 GLY N N 29 107.500 107.500 112.674 -5.174 18128 63 1 1 . 1 1 29 29 GLY C C 29 171.400 171.400 173.901 -2.501 18128 64 1 1 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.779 -0.779 18128 65 1 1 . 1 1 30 30 ALA N N 30 127.800 127.800 124.904 2.896 18128 66 1 1 . 1 1 30 30 ALA C C 30 174.800 174.800 176.864 -2.064 18128 67 1 1 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.614 -1.714 18128 68 1 1 . 1 1 30 30 ALA CB C 30 22.700 22.700 19.896 2.804 18128 69 1 1 . 1 1 31 31 ILE N N 31 117.900 117.900 120.770 -2.870 18128 70 1 1 . 1 1 31 31 ILE C C 31 174.100 174.100 175.180 -1.080 18128 71 1 1 . 1 1 31 31 ILE CA C 31 60.800 60.800 61.000 -0.200 18128 72 1 1 . 1 1 31 31 ILE CB C 31 40.200 40.200 39.407 0.793 18128 73 1 1 . 1 1 32 32 ILE C C 32 174.800 174.800 175.855 -1.055 18128 74 1 1 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.176 -2.976 18128 75 1 1 . 1 1 32 32 ILE CB C 32 42.400 42.400 38.729 3.671 18128 76 1 1 . 1 1 33 33 GLY N N 33 110.800 110.800 115.119 -4.319 18128 77 1 1 . 1 1 33 33 GLY C C 33 171.600 171.600 173.612 -2.012 18128 78 1 1 . 1 1 33 33 GLY CA C 33 48.800 48.800 44.898 3.902 18128 79 1 1 . 1 1 34 34 LEU C C 34 173.500 173.500 176.124 -2.624 18128 80 1 1 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.363 -0.563 18128 81 1 1 . 1 1 34 34 LEU CB C 34 45.900 45.900 44.877 1.023 18128 82 1 1 . 1 1 35 35 MET N N 35 122.100 122.100 122.427 -0.327 18128 83 1 1 . 1 1 35 35 MET C C 35 173.300 173.300 175.543 -2.243 18128 84 1 1 . 1 1 35 35 MET CA C 35 54.400 54.400 55.217 -0.817 18128 85 1 1 . 1 1 35 35 MET CB C 35 37.100 37.100 33.161 3.939 18128 86 1 1 . 1 1 36 36 VAL N N 36 124.300 124.300 126.434 -2.134 18128 87 1 1 . 1 1 36 36 VAL C C 36 175.200 175.200 176.620 -1.420 18128 88 1 1 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.884 -2.184 18128 89 1 1 . 1 1 36 36 VAL CB C 36 34.900 34.900 30.852 4.048 18128 90 1 1 . 1 1 37 37 GLY N N 37 116.500 116.500 113.352 3.148 18128 91 1 1 . 1 1 37 37 GLY C C 37 171.000 171.000 174.788 -3.788 18128 92 1 1 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.103 -0.203 18128 93 1 1 . 1 1 38 38 GLY N N 38 104.200 104.200 107.132 -2.932 18128 94 1 1 . 1 1 38 38 GLY C C 38 170.400 170.400 173.094 -2.694 18128 95 1 1 . 1 1 38 38 GLY CA C 38 44.800 44.800 44.735 0.065 18128 96 1 1 . 1 1 39 39 VAL N N 39 114.700 114.700 120.551 -5.851 18128 97 1 1 . 1 1 39 39 VAL C C 39 173.200 173.200 176.406 -3.206 18128 98 1 1 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.303 -0.203 18128 99 1 1 . 1 1 39 39 VAL CB C 39 35.200 35.200 34.422 0.778 18128 100 1 2 . 1 1 10 10 TYR C C 10 175.000 175.000 175.695 -0.695 18128 101 1 2 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.599 -0.299 18128 102 1 2 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.794 2.306 18128 103 1 2 . 1 1 12 12 VAL C C 12 174.600 174.600 175.188 -0.588 18128 104 1 2 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.785 -1.385 18128 105 1 2 . 1 1 12 12 VAL CB C 12 35.300 35.300 32.860 2.440 18128 106 1 2 . 1 1 13 13 HIS C C 13 174.200 174.200 173.393 0.807 18128 107 1 2 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.132 -0.932 18128 108 1 2 . 1 1 13 13 HIS CB C 13 34.800 34.800 31.013 3.787 18128 109 1 2 . 1 1 14 14 HIS C C 14 174.200 174.200 174.822 -0.622 18128 110 1 2 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.199 0.201 18128 111 1 2 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.940 1.160 18128 112 1 2 . 1 1 15 15 GLN N N 15 123.800 123.800 120.141 3.659 18128 113 1 2 . 1 1 15 15 GLN C C 15 173.600 173.600 175.456 -1.856 18128 114 1 2 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.190 -0.190 18128 115 1 2 . 1 1 15 15 GLN CB C 15 33.500 33.500 29.994 3.506 18128 116 1 2 . 1 1 16 16 LYS N N 16 126.400 126.400 120.906 5.494 18128 117 1 2 . 1 1 16 16 LYS C C 16 174.100 174.100 175.728 -1.628 18128 118 1 2 . 1 1 16 16 LYS CA C 16 54.700 54.700 55.769 -1.069 18128 119 1 2 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.527 2.473 18128 120 1 2 . 1 1 17 17 LEU C C 17 174.600 174.600 175.919 -1.319 18128 121 1 2 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.669 -0.169 18128 122 1 2 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.047 3.353 18128 123 1 2 . 1 1 18 18 VAL C C 18 172.800 172.800 174.656 -1.856 18128 124 1 2 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.984 -1.084 18128 125 1 2 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.255 2.345 18128 126 1 2 . 1 1 19 19 PHE C C 19 171.900 171.900 174.217 -2.317 18128 127 1 2 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.964 -1.464 18128 128 1 2 . 1 1 19 19 PHE CB C 19 42.600 42.600 40.978 1.622 18128 129 1 2 . 1 1 20 20 PHE C C 20 172.200 172.200 173.285 -1.085 18128 130 1 2 . 1 1 20 20 PHE CA C 20 56.000 56.000 56.736 -0.736 18128 131 1 2 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.795 2.105 18128 132 1 2 . 1 1 21 21 ALA C C 21 175.000 175.000 175.891 -0.891 18128 133 1 2 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.735 -1.635 18128 134 1 2 . 1 1 21 21 ALA CB C 21 22.700 22.700 20.388 2.312 18128 135 1 2 . 1 1 22 22 GLU C C 22 174.900 174.900 174.740 0.160 18128 136 1 2 . 1 1 22 22 GLU CA C 22 53.900 53.900 55.546 -1.646 18128 137 1 2 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.053 3.047 18128 138 1 2 . 1 1 23 23 ASP N N 23 126.900 126.900 121.945 4.955 18128 139 1 2 . 1 1 23 23 ASP C C 23 174.200 174.200 175.334 -1.134 18128 140 1 2 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.739 3.061 18128 141 1 2 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.502 -2.301 18128 142 1 2 . 1 1 24 24 VAL N N 24 121.200 121.200 120.445 0.755 18128 143 1 2 . 1 1 24 24 VAL C C 24 174.500 174.500 176.522 -2.022 18128 144 1 2 . 1 1 24 24 VAL CA C 24 60.300 60.300 62.160 -1.860 18128 145 1 2 . 1 1 24 24 VAL CB C 24 32.900 32.900 32.018 0.882 18128 146 1 2 . 1 1 25 25 GLY N N 25 118.000 118.000 116.950 1.050 18128 147 1 2 . 1 1 25 25 GLY C C 25 171.300 171.300 174.360 -3.060 18128 148 1 2 . 1 1 25 25 GLY CA C 25 47.000 47.000 46.444 0.556 18128 149 1 2 . 1 1 26 26 SER N N 26 112.600 112.600 117.020 -4.420 18128 150 1 2 . 1 1 26 26 SER C C 26 174.100 174.100 174.270 -0.170 18128 151 1 2 . 1 1 26 26 SER CA C 26 56.400 56.400 57.446 -1.046 18128 152 1 2 . 1 1 26 26 SER CB C 26 65.700 65.700 63.765 1.935 18128 153 1 2 . 1 1 27 27 ASN N N 27 124.000 124.000 119.737 4.263 18128 154 1 2 . 1 1 27 27 ASN C C 27 174.300 174.300 173.889 0.411 18128 155 1 2 . 1 1 27 27 ASN CA C 27 53.300 53.300 54.837 -1.537 18128 156 1 2 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.980 1.420 18128 157 1 2 . 1 1 28 28 LYS N N 28 124.000 124.000 115.628 8.372 18128 158 1 2 . 1 1 28 28 LYS C C 28 173.600 173.600 175.661 -2.061 18128 159 1 2 . 1 1 28 28 LYS CA C 28 55.500 55.500 56.341 -0.841 18128 160 1 2 . 1 1 28 28 LYS CB C 28 35.000 35.000 31.001 3.999 18128 161 1 2 . 1 1 29 29 GLY N N 29 107.500 107.500 111.224 -3.724 18128 162 1 2 . 1 1 29 29 GLY C C 29 171.400 171.400 174.346 -2.946 18128 163 1 2 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.393 -1.393 18128 164 1 2 . 1 1 30 30 ALA N N 30 127.800 127.800 124.783 3.017 18128 165 1 2 . 1 1 30 30 ALA C C 30 174.800 174.800 176.785 -1.985 18128 166 1 2 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.788 -1.888 18128 167 1 2 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.114 2.586 18128 168 1 2 . 1 1 31 31 ILE N N 31 117.900 117.900 122.106 -4.206 18128 169 1 2 . 1 1 31 31 ILE C C 31 174.100 174.100 174.806 -0.706 18128 170 1 2 . 1 1 31 31 ILE CA C 31 60.800 60.800 61.268 -0.468 18128 171 1 2 . 1 1 31 31 ILE CB C 31 40.200 40.200 39.965 0.235 18128 172 1 2 . 1 1 32 32 ILE C C 32 174.800 174.800 175.137 -0.337 18128 173 1 2 . 1 1 32 32 ILE CA C 32 58.200 58.200 60.848 -2.648 18128 174 1 2 . 1 1 32 32 ILE CB C 32 42.400 42.400 39.188 3.212 18128 175 1 2 . 1 1 33 33 GLY N N 33 110.800 110.800 115.578 -4.778 18128 176 1 2 . 1 1 33 33 GLY C C 33 171.600 171.600 173.518 -1.918 18128 177 1 2 . 1 1 33 33 GLY CA C 33 48.800 48.800 44.832 3.968 18128 178 1 2 . 1 1 34 34 LEU C C 34 173.500 173.500 176.218 -2.718 18128 179 1 2 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.379 -0.579 18128 180 1 2 . 1 1 34 34 LEU CB C 34 45.900 45.900 44.510 1.391 18128 181 1 2 . 1 1 35 35 MET N N 35 122.100 122.100 122.997 -0.897 18128 182 1 2 . 1 1 35 35 MET C C 35 173.300 173.300 175.517 -2.217 18128 183 1 2 . 1 1 35 35 MET CA C 35 54.400 54.400 55.234 -0.834 18128 184 1 2 . 1 1 35 35 MET CB C 35 37.100 37.100 33.266 3.834 18128 185 1 2 . 1 1 36 36 VAL N N 36 124.300 124.300 123.691 0.609 18128 186 1 2 . 1 1 36 36 VAL C C 36 175.200 175.200 176.695 -1.495 18128 187 1 2 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.865 -2.165 18128 188 1 2 . 1 1 36 36 VAL CB C 36 34.900 34.900 31.122 3.778 18128 189 1 2 . 1 1 37 37 GLY N N 37 116.500 116.500 113.838 2.662 18128 190 1 2 . 1 1 37 37 GLY C C 37 171.000 171.000 174.902 -3.902 18128 191 1 2 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.207 -0.307 18128 192 1 2 . 1 1 38 38 GLY N N 38 104.200 104.200 106.872 -2.672 18128 193 1 2 . 1 1 38 38 GLY C C 38 170.400 170.400 173.137 -2.737 18128 194 1 2 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.070 -0.270 18128 195 1 2 . 1 1 39 39 VAL N N 39 114.700 114.700 118.156 -3.456 18128 196 1 2 . 1 1 39 39 VAL C C 39 173.200 173.200 175.772 -2.572 18128 197 1 2 . 1 1 39 39 VAL CA C 39 61.100 61.100 60.925 0.175 18128 198 1 2 . 1 1 39 39 VAL CB C 39 35.200 35.200 33.874 1.326 18128 199 1 3 . 1 1 10 10 TYR C C 10 175.000 175.000 175.523 -0.523 18128 200 1 3 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.703 -0.403 18128 201 1 3 . 1 1 10 10 TYR CB C 10 42.100 42.100 40.325 1.775 18128 202 1 3 . 1 1 12 12 VAL C C 12 174.600 174.600 174.896 -0.296 18128 203 1 3 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.986 -1.586 18128 204 1 3 . 1 1 12 12 VAL CB C 12 35.300 35.300 32.768 2.532 18128 205 1 3 . 1 1 13 13 HIS C C 13 174.200 174.200 174.524 -0.324 18128 206 1 3 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.154 -0.954 18128 207 1 3 . 1 1 13 13 HIS CB C 13 34.800 34.800 31.598 3.202 18128 208 1 3 . 1 1 14 14 HIS C C 14 174.200 174.200 174.416 -0.216 18128 209 1 3 . 1 1 14 14 HIS CA C 14 55.400 55.400 56.243 -0.843 18128 210 1 3 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.064 2.036 18128 211 1 3 . 1 1 15 15 GLN N N 15 123.800 123.800 119.497 4.303 18128 212 1 3 . 1 1 15 15 GLN C C 15 173.600 173.600 174.548 -0.948 18128 213 1 3 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.018 -0.018 18128 214 1 3 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.394 2.106 18128 215 1 3 . 1 1 16 16 LYS N N 16 126.400 126.400 121.266 5.134 18128 216 1 3 . 1 1 16 16 LYS C C 16 174.100 174.100 175.259 -1.159 18128 217 1 3 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.432 -1.732 18128 218 1 3 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.825 2.175 18128 219 1 3 . 1 1 17 17 LEU C C 17 174.600 174.600 175.719 -1.119 18128 220 1 3 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.584 -0.083 18128 221 1 3 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.213 3.187 18128 222 1 3 . 1 1 18 18 VAL C C 18 172.800 172.800 174.575 -1.775 18128 223 1 3 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.917 -1.017 18128 224 1 3 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.644 1.956 18128 225 1 3 . 1 1 19 19 PHE C C 19 171.900 171.900 175.036 -3.136 18128 226 1 3 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.978 -1.478 18128 227 1 3 . 1 1 19 19 PHE CB C 19 42.600 42.600 41.557 1.043 18128 228 1 3 . 1 1 20 20 PHE C C 20 172.200 172.200 174.047 -1.847 18128 229 1 3 . 1 1 20 20 PHE CA C 20 56.000 56.000 56.308 -0.308 18128 230 1 3 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.420 2.480 18128 231 1 3 . 1 1 21 21 ALA C C 21 175.000 175.000 176.171 -1.171 18128 232 1 3 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.864 -1.764 18128 233 1 3 . 1 1 21 21 ALA CB C 21 22.700 22.700 20.460 2.240 18128 234 1 3 . 1 1 22 22 GLU C C 22 174.900 174.900 175.220 -0.320 18128 235 1 3 . 1 1 22 22 GLU CA C 22 53.900 53.900 55.641 -1.741 18128 236 1 3 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.007 3.093 18128 237 1 3 . 1 1 23 23 ASP N N 23 126.900 126.900 119.902 6.998 18128 238 1 3 . 1 1 23 23 ASP C C 23 174.200 174.200 175.904 -1.704 18128 239 1 3 . 1 1 23 23 ASP CA C 23 56.800 56.800 54.578 2.222 18128 240 1 3 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.300 -2.100 18128 241 1 3 . 1 1 24 24 VAL N N 24 121.200 121.200 118.785 2.415 18128 242 1 3 . 1 1 24 24 VAL C C 24 174.500 174.500 175.770 -1.270 18128 243 1 3 . 1 1 24 24 VAL CA C 24 60.300 60.300 62.374 -2.074 18128 244 1 3 . 1 1 24 24 VAL CB C 24 32.900 32.900 31.755 1.145 18128 245 1 3 . 1 1 25 25 GLY N N 25 118.000 118.000 115.410 2.590 18128 246 1 3 . 1 1 25 25 GLY C C 25 171.300 171.300 174.564 -3.264 18128 247 1 3 . 1 1 25 25 GLY CA C 25 47.000 47.000 45.958 1.042 18128 248 1 3 . 1 1 26 26 SER N N 26 112.600 112.600 115.612 -3.012 18128 249 1 3 . 1 1 26 26 SER C C 26 174.100 174.100 174.208 -0.108 18128 250 1 3 . 1 1 26 26 SER CA C 26 56.400 56.400 58.173 -1.773 18128 251 1 3 . 1 1 26 26 SER CB C 26 65.700 65.700 64.282 1.418 18128 252 1 3 . 1 1 27 27 ASN N N 27 124.000 124.000 118.107 5.893 18128 253 1 3 . 1 1 27 27 ASN C C 27 174.300 174.300 174.577 -0.277 18128 254 1 3 . 1 1 27 27 ASN CA C 27 53.300 53.300 53.185 0.114 18128 255 1 3 . 1 1 27 27 ASN CB C 27 40.400 40.400 39.058 1.342 18128 256 1 3 . 1 1 28 28 LYS N N 28 124.000 124.000 120.886 3.114 18128 257 1 3 . 1 1 28 28 LYS C C 28 173.600 173.600 177.205 -3.605 18128 258 1 3 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.660 -2.160 18128 259 1 3 . 1 1 28 28 LYS CB C 28 35.000 35.000 31.072 3.929 18128 260 1 3 . 1 1 29 29 GLY N N 29 107.500 107.500 110.263 -2.763 18128 261 1 3 . 1 1 29 29 GLY C C 29 171.400 171.400 173.717 -2.317 18128 262 1 3 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.340 -0.340 18128 263 1 3 . 1 1 30 30 ALA N N 30 127.800 127.800 127.539 0.261 18128 264 1 3 . 1 1 30 30 ALA C C 30 174.800 174.800 177.203 -2.403 18128 265 1 3 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.979 -2.079 18128 266 1 3 . 1 1 30 30 ALA CB C 30 22.700 22.700 19.791 2.909 18128 267 1 3 . 1 1 31 31 ILE N N 31 117.900 117.900 118.571 -0.671 18128 268 1 3 . 1 1 31 31 ILE C C 31 174.100 174.100 174.915 -0.815 18128 269 1 3 . 1 1 31 31 ILE CA C 31 60.800 60.800 61.340 -0.540 18128 270 1 3 . 1 1 31 31 ILE CB C 31 40.200 40.200 38.774 1.426 18128 271 1 3 . 1 1 32 32 ILE C C 32 174.800 174.800 176.142 -1.342 18128 272 1 3 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.168 -2.968 18128 273 1 3 . 1 1 32 32 ILE CB C 32 42.400 42.400 38.741 3.659 18128 274 1 3 . 1 1 33 33 GLY N N 33 110.800 110.800 115.527 -4.727 18128 275 1 3 . 1 1 33 33 GLY C C 33 171.600 171.600 173.474 -1.874 18128 276 1 3 . 1 1 33 33 GLY CA C 33 48.800 48.800 44.821 3.979 18128 277 1 3 . 1 1 34 34 LEU C C 34 173.500 173.500 175.975 -2.475 18128 278 1 3 . 1 1 34 34 LEU CA C 34 53.800 53.800 55.185 -1.385 18128 279 1 3 . 1 1 34 34 LEU CB C 34 45.900 45.900 45.213 0.687 18128 280 1 3 . 1 1 35 35 MET N N 35 122.100 122.100 123.865 -1.765 18128 281 1 3 . 1 1 35 35 MET C C 35 173.300 173.300 175.650 -2.350 18128 282 1 3 . 1 1 35 35 MET CA C 35 54.400 54.400 55.117 -0.717 18128 283 1 3 . 1 1 35 35 MET CB C 35 37.100 37.100 33.217 3.883 18128 284 1 3 . 1 1 36 36 VAL N N 36 124.300 124.300 125.159 -0.859 18128 285 1 3 . 1 1 36 36 VAL C C 36 175.200 175.200 176.290 -1.090 18128 286 1 3 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.797 -2.097 18128 287 1 3 . 1 1 36 36 VAL CB C 36 34.900 34.900 30.089 4.811 18128 288 1 3 . 1 1 37 37 GLY N N 37 116.500 116.500 113.667 2.833 18128 289 1 3 . 1 1 37 37 GLY C C 37 171.000 171.000 174.803 -3.803 18128 290 1 3 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.285 -0.385 18128 291 1 3 . 1 1 38 38 GLY N N 38 104.200 104.200 106.681 -2.481 18128 292 1 3 . 1 1 38 38 GLY C C 38 170.400 170.400 172.806 -2.406 18128 293 1 3 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.229 -0.429 18128 294 1 3 . 1 1 39 39 VAL N N 39 114.700 114.700 118.388 -3.688 18128 295 1 3 . 1 1 39 39 VAL C C 39 173.200 173.200 176.301 -3.101 18128 296 1 3 . 1 1 39 39 VAL CA C 39 61.100 61.100 60.909 0.191 18128 297 1 3 . 1 1 39 39 VAL CB C 39 35.200 35.200 33.675 1.525 18128 298 1 4 . 1 1 10 10 TYR C C 10 175.000 175.000 173.930 1.070 18128 299 1 4 . 1 1 10 10 TYR CA C 10 57.300 57.300 56.472 0.827 18128 300 1 4 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.761 2.339 18128 301 1 4 . 1 1 12 12 VAL C C 12 174.600 174.600 175.296 -0.696 18128 302 1 4 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.081 -0.681 18128 303 1 4 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.656 1.644 18128 304 1 4 . 1 1 13 13 HIS C C 13 174.200 174.200 174.298 -0.098 18128 305 1 4 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.313 -1.113 18128 306 1 4 . 1 1 13 13 HIS CB C 13 34.800 34.800 31.253 3.547 18128 307 1 4 . 1 1 14 14 HIS C C 14 174.200 174.200 175.065 -0.865 18128 308 1 4 . 1 1 14 14 HIS CA C 14 55.400 55.400 56.022 -0.622 18128 309 1 4 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.215 1.885 18128 310 1 4 . 1 1 15 15 GLN N N 15 123.800 123.800 119.476 4.324 18128 311 1 4 . 1 1 15 15 GLN C C 15 173.600 173.600 174.691 -1.091 18128 312 1 4 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.089 -0.089 18128 313 1 4 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.332 2.168 18128 314 1 4 . 1 1 16 16 LYS N N 16 126.400 126.400 121.126 5.274 18128 315 1 4 . 1 1 16 16 LYS C C 16 174.100 174.100 175.371 -1.271 18128 316 1 4 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.449 -1.749 18128 317 1 4 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.813 2.187 18128 318 1 4 . 1 1 17 17 LEU C C 17 174.600 174.600 175.795 -1.195 18128 319 1 4 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.942 -0.442 18128 320 1 4 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.662 2.738 18128 321 1 4 . 1 1 18 18 VAL C C 18 172.800 172.800 174.756 -1.956 18128 322 1 4 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.976 -1.076 18128 323 1 4 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.928 1.672 18128 324 1 4 . 1 1 19 19 PHE C C 19 171.900 171.900 175.046 -3.146 18128 325 1 4 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.648 -1.148 18128 326 1 4 . 1 1 19 19 PHE CB C 19 42.600 42.600 41.671 0.929 18128 327 1 4 . 1 1 20 20 PHE C C 20 172.200 172.200 174.264 -2.064 18128 328 1 4 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.315 -1.315 18128 329 1 4 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.552 2.348 18128 330 1 4 . 1 1 21 21 ALA C C 21 175.000 175.000 176.651 -1.651 18128 331 1 4 . 1 1 21 21 ALA CA C 21 50.100 50.100 52.133 -2.034 18128 332 1 4 . 1 1 21 21 ALA CB C 21 22.700 22.700 20.380 2.320 18128 333 1 4 . 1 1 22 22 GLU C C 22 174.900 174.900 175.190 -0.290 18128 334 1 4 . 1 1 22 22 GLU CA C 22 53.900 53.900 56.432 -2.532 18128 335 1 4 . 1 1 22 22 GLU CB C 22 34.100 34.100 30.866 3.234 18128 336 1 4 . 1 1 23 23 ASP N N 23 126.900 126.900 125.732 1.168 18128 337 1 4 . 1 1 23 23 ASP C C 23 174.200 174.200 175.764 -1.564 18128 338 1 4 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.618 3.182 18128 339 1 4 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.384 -2.184 18128 340 1 4 . 1 1 24 24 VAL N N 24 121.200 121.200 126.852 -5.652 18128 341 1 4 . 1 1 24 24 VAL C C 24 174.500 174.500 177.617 -3.117 18128 342 1 4 . 1 1 24 24 VAL CA C 24 60.300 60.300 61.806 -1.506 18128 343 1 4 . 1 1 24 24 VAL CB C 24 32.900 32.900 32.308 0.592 18128 344 1 4 . 1 1 25 25 GLY N N 25 118.000 118.000 109.292 8.708 18128 345 1 4 . 1 1 25 25 GLY C C 25 171.300 171.300 174.237 -2.937 18128 346 1 4 . 1 1 25 25 GLY CA C 25 47.000 47.000 46.824 0.176 18128 347 1 4 . 1 1 26 26 SER N N 26 112.600 112.600 115.771 -3.171 18128 348 1 4 . 1 1 26 26 SER C C 26 174.100 174.100 172.907 1.193 18128 349 1 4 . 1 1 26 26 SER CA C 26 56.400 56.400 57.276 -0.876 18128 350 1 4 . 1 1 26 26 SER CB C 26 65.700 65.700 65.031 0.669 18128 351 1 4 . 1 1 27 27 ASN N N 27 124.000 124.000 120.600 3.400 18128 352 1 4 . 1 1 27 27 ASN C C 27 174.300 174.300 173.733 0.567 18128 353 1 4 . 1 1 27 27 ASN CA C 27 53.300 53.300 54.267 -0.967 18128 354 1 4 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.806 1.594 18128 355 1 4 . 1 1 28 28 LYS N N 28 124.000 124.000 118.190 5.810 18128 356 1 4 . 1 1 28 28 LYS C C 28 173.600 173.600 176.125 -2.525 18128 357 1 4 . 1 1 28 28 LYS CA C 28 55.500 55.500 55.971 -0.471 18128 358 1 4 . 1 1 28 28 LYS CB C 28 35.000 35.000 33.375 1.625 18128 359 1 4 . 1 1 29 29 GLY N N 29 107.500 107.500 111.885 -4.385 18128 360 1 4 . 1 1 29 29 GLY C C 29 171.400 171.400 174.212 -2.812 18128 361 1 4 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.951 -0.951 18128 362 1 4 . 1 1 30 30 ALA N N 30 127.800 127.800 124.858 2.942 18128 363 1 4 . 1 1 30 30 ALA C C 30 174.800 174.800 176.452 -1.652 18128 364 1 4 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.256 -1.356 18128 365 1 4 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.631 2.069 18128 366 1 4 . 1 1 31 31 ILE N N 31 117.900 117.900 118.984 -1.084 18128 367 1 4 . 1 1 31 31 ILE C C 31 174.100 174.100 175.018 -0.918 18128 368 1 4 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.735 0.065 18128 369 1 4 . 1 1 31 31 ILE CB C 31 40.200 40.200 39.587 0.613 18128 370 1 4 . 1 1 32 32 ILE C C 32 174.800 174.800 175.763 -0.963 18128 371 1 4 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.138 -2.938 18128 372 1 4 . 1 1 32 32 ILE CB C 32 42.400 42.400 38.605 3.795 18128 373 1 4 . 1 1 33 33 GLY N N 33 110.800 110.800 115.471 -4.671 18128 374 1 4 . 1 1 33 33 GLY C C 33 171.600 171.600 173.339 -1.739 18128 375 1 4 . 1 1 33 33 GLY CA C 33 48.800 48.800 45.274 3.526 18128 376 1 4 . 1 1 34 34 LEU C C 34 173.500 173.500 175.153 -1.653 18128 377 1 4 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.030 -0.230 18128 378 1 4 . 1 1 34 34 LEU CB C 34 45.900 45.900 42.990 2.910 18128 379 1 4 . 1 1 35 35 MET N N 35 122.100 122.100 121.399 0.701 18128 380 1 4 . 1 1 35 35 MET C C 35 173.300 173.300 175.636 -2.336 18128 381 1 4 . 1 1 35 35 MET CA C 35 54.400 54.400 54.907 -0.506 18128 382 1 4 . 1 1 35 35 MET CB C 35 37.100 37.100 34.349 2.751 18128 383 1 4 . 1 1 36 36 VAL N N 36 124.300 124.300 125.557 -1.257 18128 384 1 4 . 1 1 36 36 VAL C C 36 175.200 175.200 175.585 -0.385 18128 385 1 4 . 1 1 36 36 VAL CA C 36 59.700 59.700 62.344 -2.644 18128 386 1 4 . 1 1 36 36 VAL CB C 36 34.900 34.900 29.445 5.455 18128 387 1 4 . 1 1 37 37 GLY N N 37 116.500 116.500 112.841 3.659 18128 388 1 4 . 1 1 37 37 GLY C C 37 171.000 171.000 174.287 -3.287 18128 389 1 4 . 1 1 37 37 GLY CA C 37 44.900 44.900 44.875 0.025 18128 390 1 4 . 1 1 38 38 GLY N N 38 104.200 104.200 107.850 -3.650 18128 391 1 4 . 1 1 38 38 GLY C C 38 170.400 170.400 173.520 -3.120 18128 392 1 4 . 1 1 38 38 GLY CA C 38 44.800 44.800 44.309 0.491 18128 393 1 4 . 1 1 39 39 VAL N N 39 114.700 114.700 119.342 -4.642 18128 394 1 4 . 1 1 39 39 VAL C C 39 173.200 173.200 174.496 -1.296 18128 395 1 4 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.796 -0.696 18128 396 1 4 . 1 1 39 39 VAL CB C 39 35.200 35.200 34.360 0.840 18128 397 1 5 . 1 1 10 10 TYR C C 10 175.000 175.000 175.435 -0.435 18128 398 1 5 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.053 0.247 18128 399 1 5 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.121 2.979 18128 400 1 5 . 1 1 12 12 VAL C C 12 174.600 174.600 175.259 -0.659 18128 401 1 5 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.811 -1.411 18128 402 1 5 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.100 2.200 18128 403 1 5 . 1 1 13 13 HIS C C 13 174.200 174.200 174.501 -0.301 18128 404 1 5 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.286 -1.087 18128 405 1 5 . 1 1 13 13 HIS CB C 13 34.800 34.800 30.573 4.228 18128 406 1 5 . 1 1 14 14 HIS C C 14 174.200 174.200 174.657 -0.457 18128 407 1 5 . 1 1 14 14 HIS CA C 14 55.400 55.400 56.421 -1.021 18128 408 1 5 . 1 1 14 14 HIS CB C 14 33.100 33.100 30.861 2.239 18128 409 1 5 . 1 1 15 15 GLN N N 15 123.800 123.800 119.334 4.466 18128 410 1 5 . 1 1 15 15 GLN C C 15 173.600 173.600 174.293 -0.693 18128 411 1 5 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.055 -0.055 18128 412 1 5 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.004 2.496 18128 413 1 5 . 1 1 16 16 LYS N N 16 126.400 126.400 121.410 4.990 18128 414 1 5 . 1 1 16 16 LYS C C 16 174.100 174.100 175.365 -1.265 18128 415 1 5 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.442 -1.742 18128 416 1 5 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.618 2.381 18128 417 1 5 . 1 1 17 17 LEU C C 17 174.600 174.600 175.711 -1.111 18128 418 1 5 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.405 0.095 18128 419 1 5 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.032 3.368 18128 420 1 5 . 1 1 18 18 VAL C C 18 172.800 172.800 174.340 -1.540 18128 421 1 5 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.659 -0.759 18128 422 1 5 . 1 1 18 18 VAL CB C 18 35.600 35.600 34.005 1.595 18128 423 1 5 . 1 1 19 19 PHE C C 19 171.900 171.900 174.932 -3.032 18128 424 1 5 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.636 -1.136 18128 425 1 5 . 1 1 19 19 PHE CB C 19 42.600 42.600 41.358 1.242 18128 426 1 5 . 1 1 20 20 PHE C C 20 172.200 172.200 174.343 -2.143 18128 427 1 5 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.252 -1.252 18128 428 1 5 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.597 2.303 18128 429 1 5 . 1 1 21 21 ALA C C 21 175.000 175.000 176.875 -1.875 18128 430 1 5 . 1 1 21 21 ALA CA C 21 50.100 50.100 52.140 -2.040 18128 431 1 5 . 1 1 21 21 ALA CB C 21 22.700 22.700 19.780 2.920 18128 432 1 5 . 1 1 22 22 GLU C C 22 174.900 174.900 174.460 0.440 18128 433 1 5 . 1 1 22 22 GLU CA C 22 53.900 53.900 57.181 -3.281 18128 434 1 5 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.254 2.846 18128 435 1 5 . 1 1 23 23 ASP N N 23 126.900 126.900 125.227 1.673 18128 436 1 5 . 1 1 23 23 ASP C C 23 174.200 174.200 175.915 -1.715 18128 437 1 5 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.705 3.095 18128 438 1 5 . 1 1 23 23 ASP CB C 23 39.200 39.200 42.331 -3.131 18128 439 1 5 . 1 1 24 24 VAL N N 24 121.200 121.200 123.988 -2.788 18128 440 1 5 . 1 1 24 24 VAL C C 24 174.500 174.500 176.422 -1.922 18128 441 1 5 . 1 1 24 24 VAL CA C 24 60.300 60.300 63.612 -3.312 18128 442 1 5 . 1 1 24 24 VAL CB C 24 32.900 32.900 32.245 0.655 18128 443 1 5 . 1 1 25 25 GLY N N 25 118.000 118.000 115.132 2.868 18128 444 1 5 . 1 1 25 25 GLY C C 25 171.300 171.300 173.169 -1.869 18128 445 1 5 . 1 1 25 25 GLY CA C 25 47.000 47.000 45.361 1.639 18128 446 1 5 . 1 1 26 26 SER N N 26 112.600 112.600 115.447 -2.847 18128 447 1 5 . 1 1 26 26 SER C C 26 174.100 174.100 173.253 0.847 18128 448 1 5 . 1 1 26 26 SER CA C 26 56.400 56.400 57.480 -1.080 18128 449 1 5 . 1 1 26 26 SER CB C 26 65.700 65.700 63.615 2.085 18128 450 1 5 . 1 1 27 27 ASN N N 27 124.000 124.000 120.946 3.054 18128 451 1 5 . 1 1 27 27 ASN C C 27 174.300 174.300 174.477 -0.177 18128 452 1 5 . 1 1 27 27 ASN CA C 27 53.300 53.300 54.014 -0.714 18128 453 1 5 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.893 1.507 18128 454 1 5 . 1 1 28 28 LYS N N 28 124.000 124.000 118.671 5.329 18128 455 1 5 . 1 1 28 28 LYS C C 28 173.600 173.600 175.934 -2.334 18128 456 1 5 . 1 1 28 28 LYS CA C 28 55.500 55.500 56.246 -0.746 18128 457 1 5 . 1 1 28 28 LYS CB C 28 35.000 35.000 33.183 1.817 18128 458 1 5 . 1 1 29 29 GLY N N 29 107.500 107.500 112.325 -4.825 18128 459 1 5 . 1 1 29 29 GLY C C 29 171.400 171.400 174.239 -2.839 18128 460 1 5 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.100 -1.100 18128 461 1 5 . 1 1 30 30 ALA N N 30 127.800 127.800 127.639 0.161 18128 462 1 5 . 1 1 30 30 ALA C C 30 174.800 174.800 176.905 -2.105 18128 463 1 5 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.824 -1.924 18128 464 1 5 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.164 2.536 18128 465 1 5 . 1 1 31 31 ILE N N 31 117.900 117.900 118.856 -0.956 18128 466 1 5 . 1 1 31 31 ILE C C 31 174.100 174.100 175.174 -1.074 18128 467 1 5 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.907 -0.107 18128 468 1 5 . 1 1 31 31 ILE CB C 31 40.200 40.200 38.908 1.292 18128 469 1 5 . 1 1 32 32 ILE C C 32 174.800 174.800 176.082 -1.282 18128 470 1 5 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.133 -2.933 18128 471 1 5 . 1 1 32 32 ILE CB C 32 42.400 42.400 38.547 3.853 18128 472 1 5 . 1 1 33 33 GLY N N 33 110.800 110.800 115.604 -4.804 18128 473 1 5 . 1 1 33 33 GLY C C 33 171.600 171.600 173.544 -1.944 18128 474 1 5 . 1 1 33 33 GLY CA C 33 48.800 48.800 45.019 3.781 18128 475 1 5 . 1 1 34 34 LEU C C 34 173.500 173.500 176.788 -3.288 18128 476 1 5 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.130 -0.330 18128 477 1 5 . 1 1 34 34 LEU CB C 34 45.900 45.900 44.458 1.442 18128 478 1 5 . 1 1 35 35 MET N N 35 122.100 122.100 122.126 -0.026 18128 479 1 5 . 1 1 35 35 MET C C 35 173.300 173.300 175.769 -2.469 18128 480 1 5 . 1 1 35 35 MET CA C 35 54.400 54.400 54.635 -0.235 18128 481 1 5 . 1 1 35 35 MET CB C 35 37.100 37.100 31.849 5.251 18128 482 1 5 . 1 1 36 36 VAL N N 36 124.300 124.300 126.231 -1.931 18128 483 1 5 . 1 1 36 36 VAL C C 36 175.200 175.200 175.851 -0.651 18128 484 1 5 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.882 -2.182 18128 485 1 5 . 1 1 36 36 VAL CB C 36 34.900 34.900 30.246 4.654 18128 486 1 5 . 1 1 37 37 GLY N N 37 116.500 116.500 112.630 3.870 18128 487 1 5 . 1 1 37 37 GLY C C 37 171.000 171.000 174.084 -3.084 18128 488 1 5 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.117 -0.217 18128 489 1 5 . 1 1 38 38 GLY N N 38 104.200 104.200 110.372 -6.172 18128 490 1 5 . 1 1 38 38 GLY C C 38 170.400 170.400 172.763 -2.363 18128 491 1 5 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.584 -0.784 18128 492 1 5 . 1 1 39 39 VAL N N 39 114.700 114.700 121.723 -7.023 18128 493 1 5 . 1 1 39 39 VAL C C 39 173.200 173.200 174.451 -1.251 18128 494 1 5 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.469 -0.369 18128 495 1 5 . 1 1 39 39 VAL CB C 39 35.200 35.200 34.227 0.973 18128 496 1 6 . 1 1 10 10 TYR C C 10 175.000 175.000 174.710 0.290 18128 497 1 6 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.288 0.012 18128 498 1 6 . 1 1 10 10 TYR CB C 10 42.100 42.100 40.518 1.582 18128 499 1 6 . 1 1 12 12 VAL C C 12 174.600 174.600 174.645 -0.045 18128 500 1 6 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.448 -1.048 18128 501 1 6 . 1 1 12 12 VAL CB C 12 35.300 35.300 34.666 0.634 18128 502 1 6 . 1 1 13 13 HIS C C 13 174.200 174.200 174.061 0.139 18128 503 1 6 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.567 -1.367 18128 504 1 6 . 1 1 13 13 HIS CB C 13 34.800 34.800 31.738 3.062 18128 505 1 6 . 1 1 14 14 HIS C C 14 174.200 174.200 173.668 0.532 18128 506 1 6 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.103 0.297 18128 507 1 6 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.744 1.356 18128 508 1 6 . 1 1 15 15 GLN N N 15 123.800 123.800 118.822 4.978 18128 509 1 6 . 1 1 15 15 GLN C C 15 173.600 173.600 174.337 -0.737 18128 510 1 6 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.163 -0.163 18128 511 1 6 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.435 2.065 18128 512 1 6 . 1 1 16 16 LYS N N 16 126.400 126.400 121.106 5.294 18128 513 1 6 . 1 1 16 16 LYS C C 16 174.100 174.100 175.341 -1.241 18128 514 1 6 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.210 -1.510 18128 515 1 6 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.951 2.049 18128 516 1 6 . 1 1 17 17 LEU C C 17 174.600 174.600 175.912 -1.312 18128 517 1 6 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.666 -0.166 18128 518 1 6 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.287 3.113 18128 519 1 6 . 1 1 18 18 VAL C C 18 172.800 172.800 174.838 -2.038 18128 520 1 6 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.774 -0.874 18128 521 1 6 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.527 2.073 18128 522 1 6 . 1 1 19 19 PHE C C 19 171.900 171.900 175.172 -3.272 18128 523 1 6 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.472 -0.972 18128 524 1 6 . 1 1 19 19 PHE CB C 19 42.600 42.600 41.431 1.169 18128 525 1 6 . 1 1 20 20 PHE C C 20 172.200 172.200 174.322 -2.122 18128 526 1 6 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.242 -1.242 18128 527 1 6 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.504 2.396 18128 528 1 6 . 1 1 21 21 ALA C C 21 175.000 175.000 176.609 -1.609 18128 529 1 6 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.927 -1.827 18128 530 1 6 . 1 1 21 21 ALA CB C 21 22.700 22.700 20.608 2.092 18128 531 1 6 . 1 1 22 22 GLU C C 22 174.900 174.900 175.105 -0.205 18128 532 1 6 . 1 1 22 22 GLU CA C 22 53.900 53.900 55.412 -1.512 18128 533 1 6 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.112 2.988 18128 534 1 6 . 1 1 23 23 ASP N N 23 126.900 126.900 121.770 5.130 18128 535 1 6 . 1 1 23 23 ASP C C 23 174.200 174.200 176.547 -2.347 18128 536 1 6 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.746 3.054 18128 537 1 6 . 1 1 23 23 ASP CB C 23 39.200 39.200 40.898 -1.698 18128 538 1 6 . 1 1 24 24 VAL N N 24 121.200 121.200 126.123 -4.923 18128 539 1 6 . 1 1 24 24 VAL C C 24 174.500 174.500 176.945 -2.445 18128 540 1 6 . 1 1 24 24 VAL CA C 24 60.300 60.300 62.958 -2.658 18128 541 1 6 . 1 1 24 24 VAL CB C 24 32.900 32.900 31.654 1.246 18128 542 1 6 . 1 1 25 25 GLY N N 25 118.000 118.000 108.020 9.980 18128 543 1 6 . 1 1 25 25 GLY C C 25 171.300 171.300 175.017 -3.717 18128 544 1 6 . 1 1 25 25 GLY CA C 25 47.000 47.000 45.474 1.526 18128 545 1 6 . 1 1 26 26 SER N N 26 112.600 112.600 117.024 -4.424 18128 546 1 6 . 1 1 26 26 SER C C 26 174.100 174.100 174.146 -0.046 18128 547 1 6 . 1 1 26 26 SER CA C 26 56.400 56.400 57.970 -1.570 18128 548 1 6 . 1 1 26 26 SER CB C 26 65.700 65.700 63.536 2.164 18128 549 1 6 . 1 1 27 27 ASN N N 27 124.000 124.000 118.870 5.130 18128 550 1 6 . 1 1 27 27 ASN C C 27 174.300 174.300 175.286 -0.986 18128 551 1 6 . 1 1 27 27 ASN CA C 27 53.300 53.300 53.696 -0.396 18128 552 1 6 . 1 1 27 27 ASN CB C 27 40.400 40.400 39.084 1.316 18128 553 1 6 . 1 1 28 28 LYS N N 28 124.000 124.000 120.656 3.344 18128 554 1 6 . 1 1 28 28 LYS C C 28 173.600 173.600 176.932 -3.332 18128 555 1 6 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.080 -1.580 18128 556 1 6 . 1 1 28 28 LYS CB C 28 35.000 35.000 32.734 2.266 18128 557 1 6 . 1 1 29 29 GLY N N 29 107.500 107.500 112.284 -4.784 18128 558 1 6 . 1 1 29 29 GLY C C 29 171.400 171.400 173.151 -1.751 18128 559 1 6 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.836 -0.836 18128 560 1 6 . 1 1 30 30 ALA N N 30 127.800 127.800 126.404 1.396 18128 561 1 6 . 1 1 30 30 ALA C C 30 174.800 174.800 176.018 -1.218 18128 562 1 6 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.784 -1.884 18128 563 1 6 . 1 1 30 30 ALA CB C 30 22.700 22.700 21.179 1.521 18128 564 1 6 . 1 1 31 31 ILE N N 31 117.900 117.900 120.148 -2.248 18128 565 1 6 . 1 1 31 31 ILE C C 31 174.100 174.100 174.930 -0.830 18128 566 1 6 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.930 -0.130 18128 567 1 6 . 1 1 31 31 ILE CB C 31 40.200 40.200 39.520 0.680 18128 568 1 6 . 1 1 32 32 ILE C C 32 174.800 174.800 175.856 -1.056 18128 569 1 6 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.257 -3.057 18128 570 1 6 . 1 1 32 32 ILE CB C 32 42.400 42.400 39.201 3.199 18128 571 1 6 . 1 1 33 33 GLY N N 33 110.800 110.800 115.828 -5.028 18128 572 1 6 . 1 1 33 33 GLY C C 33 171.600 171.600 173.665 -2.065 18128 573 1 6 . 1 1 33 33 GLY CA C 33 48.800 48.800 44.979 3.821 18128 574 1 6 . 1 1 34 34 LEU C C 34 173.500 173.500 176.286 -2.786 18128 575 1 6 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.698 -0.898 18128 576 1 6 . 1 1 34 34 LEU CB C 34 45.900 45.900 44.959 0.941 18128 577 1 6 . 1 1 35 35 MET N N 35 122.100 122.100 122.766 -0.666 18128 578 1 6 . 1 1 35 35 MET C C 35 173.300 173.300 175.959 -2.659 18128 579 1 6 . 1 1 35 35 MET CA C 35 54.400 54.400 54.995 -0.595 18128 580 1 6 . 1 1 35 35 MET CB C 35 37.100 37.100 33.691 3.409 18128 581 1 6 . 1 1 36 36 VAL N N 36 124.300 124.300 126.736 -2.436 18128 582 1 6 . 1 1 36 36 VAL C C 36 175.200 175.200 175.535 -0.335 18128 583 1 6 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.633 -1.933 18128 584 1 6 . 1 1 36 36 VAL CB C 36 34.900 34.900 29.955 4.945 18128 585 1 6 . 1 1 37 37 GLY N N 37 116.500 116.500 111.469 5.031 18128 586 1 6 . 1 1 37 37 GLY C C 37 171.000 171.000 174.581 -3.581 18128 587 1 6 . 1 1 37 37 GLY CA C 37 44.900 44.900 44.935 -0.035 18128 588 1 6 . 1 1 38 38 GLY N N 38 104.200 104.200 110.330 -6.130 18128 589 1 6 . 1 1 38 38 GLY C C 38 170.400 170.400 173.615 -3.215 18128 590 1 6 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.014 -0.214 18128 591 1 6 . 1 1 39 39 VAL N N 39 114.700 114.700 120.312 -5.612 18128 592 1 6 . 1 1 39 39 VAL C C 39 173.200 173.200 175.569 -2.369 18128 593 1 6 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.109 -0.009 18128 594 1 6 . 1 1 39 39 VAL CB C 39 35.200 35.200 34.446 0.754 18128 595 1 7 . 1 1 10 10 TYR C C 10 175.000 175.000 175.226 -0.226 18128 596 1 7 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.691 -0.391 18128 597 1 7 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.242 2.858 18128 598 1 7 . 1 1 12 12 VAL C C 12 174.600 174.600 174.677 -0.077 18128 599 1 7 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.266 -0.866 18128 600 1 7 . 1 1 12 12 VAL CB C 12 35.300 35.300 34.105 1.195 18128 601 1 7 . 1 1 13 13 HIS C C 13 174.200 174.200 173.972 0.228 18128 602 1 7 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.801 -1.601 18128 603 1 7 . 1 1 13 13 HIS CB C 13 34.800 34.800 30.896 3.904 18128 604 1 7 . 1 1 14 14 HIS C C 14 174.200 174.200 173.854 0.346 18128 605 1 7 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.409 -0.009 18128 606 1 7 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.255 1.845 18128 607 1 7 . 1 1 15 15 GLN N N 15 123.800 123.800 119.235 4.565 18128 608 1 7 . 1 1 15 15 GLN C C 15 173.600 173.600 174.327 -0.727 18128 609 1 7 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.131 -0.131 18128 610 1 7 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.637 1.863 18128 611 1 7 . 1 1 16 16 LYS N N 16 126.400 126.400 121.503 4.897 18128 612 1 7 . 1 1 16 16 LYS C C 16 174.100 174.100 175.162 -1.062 18128 613 1 7 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.763 -2.063 18128 614 1 7 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.590 2.410 18128 615 1 7 . 1 1 17 17 LEU C C 17 174.600 174.600 176.235 -1.635 18128 616 1 7 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.659 -0.159 18128 617 1 7 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.301 3.099 18128 618 1 7 . 1 1 18 18 VAL C C 18 172.800 172.800 175.192 -2.392 18128 619 1 7 . 1 1 18 18 VAL CA C 18 60.900 60.900 62.227 -1.327 18128 620 1 7 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.436 2.164 18128 621 1 7 . 1 1 19 19 PHE C C 19 171.900 171.900 174.596 -2.696 18128 622 1 7 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.915 -1.415 18128 623 1 7 . 1 1 19 19 PHE CB C 19 42.600 42.600 40.876 1.724 18128 624 1 7 . 1 1 20 20 PHE C C 20 172.200 172.200 173.594 -1.394 18128 625 1 7 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.675 -1.675 18128 626 1 7 . 1 1 20 20 PHE CB C 20 42.900 42.900 41.147 1.753 18128 627 1 7 . 1 1 21 21 ALA C C 21 175.000 175.000 175.289 -0.289 18128 628 1 7 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.469 -1.369 18128 629 1 7 . 1 1 21 21 ALA CB C 21 22.700 22.700 20.352 2.348 18128 630 1 7 . 1 1 22 22 GLU C C 22 174.900 174.900 174.847 0.053 18128 631 1 7 . 1 1 22 22 GLU CA C 22 53.900 53.900 56.526 -2.626 18128 632 1 7 . 1 1 22 22 GLU CB C 22 34.100 34.100 30.994 3.106 18128 633 1 7 . 1 1 23 23 ASP N N 23 126.900 126.900 126.063 0.837 18128 634 1 7 . 1 1 23 23 ASP C C 23 174.200 174.200 176.751 -2.551 18128 635 1 7 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.471 3.329 18128 636 1 7 . 1 1 23 23 ASP CB C 23 39.200 39.200 42.535 -3.335 18128 637 1 7 . 1 1 24 24 VAL N N 24 121.200 121.200 121.087 0.113 18128 638 1 7 . 1 1 24 24 VAL C C 24 174.500 174.500 177.736 -3.236 18128 639 1 7 . 1 1 24 24 VAL CA C 24 60.300 60.300 63.230 -2.930 18128 640 1 7 . 1 1 24 24 VAL CB C 24 32.900 32.900 31.640 1.260 18128 641 1 7 . 1 1 25 25 GLY N N 25 118.000 118.000 109.539 8.461 18128 642 1 7 . 1 1 25 25 GLY C C 25 171.300 171.300 174.561 -3.261 18128 643 1 7 . 1 1 25 25 GLY CA C 25 47.000 47.000 46.227 0.773 18128 644 1 7 . 1 1 26 26 SER N N 26 112.600 112.600 115.220 -2.620 18128 645 1 7 . 1 1 26 26 SER C C 26 174.100 174.100 172.963 1.137 18128 646 1 7 . 1 1 26 26 SER CA C 26 56.400 56.400 57.529 -1.129 18128 647 1 7 . 1 1 26 26 SER CB C 26 65.700 65.700 63.969 1.731 18128 648 1 7 . 1 1 27 27 ASN N N 27 124.000 124.000 120.489 3.511 18128 649 1 7 . 1 1 27 27 ASN C C 27 174.300 174.300 173.579 0.721 18128 650 1 7 . 1 1 27 27 ASN CA C 27 53.300 53.300 54.562 -1.262 18128 651 1 7 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.757 1.643 18128 652 1 7 . 1 1 28 28 LYS N N 28 124.000 124.000 116.429 7.571 18128 653 1 7 . 1 1 28 28 LYS C C 28 173.600 173.600 175.783 -2.183 18128 654 1 7 . 1 1 28 28 LYS CA C 28 55.500 55.500 56.066 -0.566 18128 655 1 7 . 1 1 28 28 LYS CB C 28 35.000 35.000 32.917 2.083 18128 656 1 7 . 1 1 29 29 GLY N N 29 107.500 107.500 111.860 -4.360 18128 657 1 7 . 1 1 29 29 GLY C C 29 171.400 171.400 174.267 -2.867 18128 658 1 7 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.187 -1.187 18128 659 1 7 . 1 1 30 30 ALA N N 30 127.800 127.800 127.774 0.026 18128 660 1 7 . 1 1 30 30 ALA C C 30 174.800 174.800 176.847 -2.047 18128 661 1 7 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.818 -1.918 18128 662 1 7 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.167 2.533 18128 663 1 7 . 1 1 31 31 ILE N N 31 117.900 117.900 118.676 -0.776 18128 664 1 7 . 1 1 31 31 ILE C C 31 174.100 174.100 174.910 -0.810 18128 665 1 7 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.915 -0.115 18128 666 1 7 . 1 1 31 31 ILE CB C 31 40.200 40.200 38.886 1.313 18128 667 1 7 . 1 1 32 32 ILE C C 32 174.800 174.800 175.467 -0.667 18128 668 1 7 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.311 -3.111 18128 669 1 7 . 1 1 32 32 ILE CB C 32 42.400 42.400 38.733 3.667 18128 670 1 7 . 1 1 33 33 GLY N N 33 110.800 110.800 115.666 -4.866 18128 671 1 7 . 1 1 33 33 GLY C C 33 171.600 171.600 173.374 -1.774 18128 672 1 7 . 1 1 33 33 GLY CA C 33 48.800 48.800 45.050 3.751 18128 673 1 7 . 1 1 34 34 LEU C C 34 173.500 173.500 175.187 -1.687 18128 674 1 7 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.261 -0.461 18128 675 1 7 . 1 1 34 34 LEU CB C 34 45.900 45.900 42.904 2.997 18128 676 1 7 . 1 1 35 35 MET N N 35 122.100 122.100 119.776 2.324 18128 677 1 7 . 1 1 35 35 MET C C 35 173.300 173.300 174.214 -0.914 18128 678 1 7 . 1 1 35 35 MET CA C 35 54.400 54.400 54.788 -0.388 18128 679 1 7 . 1 1 35 35 MET CB C 35 37.100 37.100 35.189 1.911 18128 680 1 7 . 1 1 36 36 VAL N N 36 124.300 124.300 122.709 1.591 18128 681 1 7 . 1 1 36 36 VAL C C 36 175.200 175.200 175.540 -0.340 18128 682 1 7 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.953 -2.253 18128 683 1 7 . 1 1 36 36 VAL CB C 36 34.900 34.900 30.122 4.778 18128 684 1 7 . 1 1 37 37 GLY N N 37 116.500 116.500 112.586 3.914 18128 685 1 7 . 1 1 37 37 GLY C C 37 171.000 171.000 174.757 -3.757 18128 686 1 7 . 1 1 37 37 GLY CA C 37 44.900 44.900 44.882 0.018 18128 687 1 7 . 1 1 38 38 GLY N N 38 104.200 104.200 110.547 -6.347 18128 688 1 7 . 1 1 38 38 GLY C C 38 170.400 170.400 173.262 -2.862 18128 689 1 7 . 1 1 38 38 GLY CA C 38 44.800 44.800 44.345 0.455 18128 690 1 7 . 1 1 39 39 VAL N N 39 114.700 114.700 116.940 -2.240 18128 691 1 7 . 1 1 39 39 VAL C C 39 173.200 173.200 175.593 -2.393 18128 692 1 7 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.184 -0.084 18128 693 1 7 . 1 1 39 39 VAL CB C 39 35.200 35.200 33.512 1.688 18128 694 1 8 . 1 1 10 10 TYR C C 10 175.000 175.000 175.080 -0.080 18128 695 1 8 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.481 -0.181 18128 696 1 8 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.785 2.315 18128 697 1 8 . 1 1 12 12 VAL C C 12 174.600 174.600 174.108 0.492 18128 698 1 8 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.591 -1.191 18128 699 1 8 . 1 1 12 12 VAL CB C 12 35.300 35.300 34.093 1.208 18128 700 1 8 . 1 1 13 13 HIS C C 13 174.200 174.200 173.198 1.002 18128 701 1 8 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.353 -1.153 18128 702 1 8 . 1 1 13 13 HIS CB C 13 34.800 34.800 31.575 3.225 18128 703 1 8 . 1 1 14 14 HIS C C 14 174.200 174.200 174.357 -0.157 18128 704 1 8 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.227 0.173 18128 705 1 8 . 1 1 14 14 HIS CB C 14 33.100 33.100 32.989 0.111 18128 706 1 8 . 1 1 15 15 GLN N N 15 123.800 123.800 119.926 3.874 18128 707 1 8 . 1 1 15 15 GLN C C 15 173.600 173.600 175.187 -1.587 18128 708 1 8 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.157 -0.157 18128 709 1 8 . 1 1 15 15 GLN CB C 15 33.500 33.500 30.308 3.192 18128 710 1 8 . 1 1 16 16 LYS N N 16 126.400 126.400 120.982 5.418 18128 711 1 8 . 1 1 16 16 LYS C C 16 174.100 174.100 175.736 -1.636 18128 712 1 8 . 1 1 16 16 LYS CA C 16 54.700 54.700 55.812 -1.111 18128 713 1 8 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.541 2.459 18128 714 1 8 . 1 1 17 17 LEU C C 17 174.600 174.600 176.205 -1.605 18128 715 1 8 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.448 0.052 18128 716 1 8 . 1 1 17 17 LEU CB C 17 46.400 46.400 42.963 3.437 18128 717 1 8 . 1 1 18 18 VAL C C 18 172.800 172.800 174.895 -2.095 18128 718 1 8 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.946 -1.046 18128 719 1 8 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.419 2.181 18128 720 1 8 . 1 1 19 19 PHE C C 19 171.900 171.900 175.077 -3.177 18128 721 1 8 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.689 -1.189 18128 722 1 8 . 1 1 19 19 PHE CB C 19 42.600 42.600 41.208 1.392 18128 723 1 8 . 1 1 20 20 PHE C C 20 172.200 172.200 174.186 -1.986 18128 724 1 8 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.194 -1.194 18128 725 1 8 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.917 1.983 18128 726 1 8 . 1 1 21 21 ALA C C 21 175.000 175.000 176.406 -1.406 18128 727 1 8 . 1 1 21 21 ALA CA C 21 50.100 50.100 52.241 -2.141 18128 728 1 8 . 1 1 21 21 ALA CB C 21 22.700 22.700 20.194 2.506 18128 729 1 8 . 1 1 22 22 GLU C C 22 174.900 174.900 174.972 -0.072 18128 730 1 8 . 1 1 22 22 GLU CA C 22 53.900 53.900 57.006 -3.106 18128 731 1 8 . 1 1 22 22 GLU CB C 22 34.100 34.100 30.566 3.534 18128 732 1 8 . 1 1 23 23 ASP N N 23 126.900 126.900 125.382 1.518 18128 733 1 8 . 1 1 23 23 ASP C C 23 174.200 174.200 175.304 -1.104 18128 734 1 8 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.713 3.087 18128 735 1 8 . 1 1 23 23 ASP CB C 23 39.200 39.200 42.617 -3.417 18128 736 1 8 . 1 1 24 24 VAL N N 24 121.200 121.200 122.893 -1.693 18128 737 1 8 . 1 1 24 24 VAL C C 24 174.500 174.500 176.848 -2.348 18128 738 1 8 . 1 1 24 24 VAL CA C 24 60.300 60.300 62.604 -2.304 18128 739 1 8 . 1 1 24 24 VAL CB C 24 32.900 32.900 32.373 0.527 18128 740 1 8 . 1 1 25 25 GLY N N 25 118.000 118.000 115.144 2.856 18128 741 1 8 . 1 1 25 25 GLY C C 25 171.300 171.300 173.584 -2.284 18128 742 1 8 . 1 1 25 25 GLY CA C 25 47.000 47.000 45.408 1.592 18128 743 1 8 . 1 1 26 26 SER N N 26 112.600 112.600 115.949 -3.349 18128 744 1 8 . 1 1 26 26 SER C C 26 174.100 174.100 174.244 -0.144 18128 745 1 8 . 1 1 26 26 SER CA C 26 56.400 56.400 56.770 -0.370 18128 746 1 8 . 1 1 26 26 SER CB C 26 65.700 65.700 65.360 0.340 18128 747 1 8 . 1 1 27 27 ASN N N 27 124.000 124.000 120.448 3.552 18128 748 1 8 . 1 1 27 27 ASN C C 27 174.300 174.300 174.801 -0.501 18128 749 1 8 . 1 1 27 27 ASN CA C 27 53.300 53.300 54.414 -1.114 18128 750 1 8 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.833 1.567 18128 751 1 8 . 1 1 28 28 LYS N N 28 124.000 124.000 120.840 3.160 18128 752 1 8 . 1 1 28 28 LYS C C 28 173.600 173.600 176.742 -3.142 18128 753 1 8 . 1 1 28 28 LYS CA C 28 55.500 55.500 55.861 -0.361 18128 754 1 8 . 1 1 28 28 LYS CB C 28 35.000 35.000 33.743 1.257 18128 755 1 8 . 1 1 29 29 GLY N N 29 107.500 107.500 112.978 -5.478 18128 756 1 8 . 1 1 29 29 GLY C C 29 171.400 171.400 174.578 -3.178 18128 757 1 8 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.988 -1.988 18128 758 1 8 . 1 1 30 30 ALA N N 30 127.800 127.800 123.006 4.794 18128 759 1 8 . 1 1 30 30 ALA C C 30 174.800 174.800 176.453 -1.653 18128 760 1 8 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.683 -1.783 18128 761 1 8 . 1 1 30 30 ALA CB C 30 22.700 22.700 18.615 4.085 18128 762 1 8 . 1 1 31 31 ILE N N 31 117.900 117.900 123.117 -5.217 18128 763 1 8 . 1 1 31 31 ILE C C 31 174.100 174.100 175.611 -1.511 18128 764 1 8 . 1 1 31 31 ILE CA C 31 60.800 60.800 62.351 -1.551 18128 765 1 8 . 1 1 31 31 ILE CB C 31 40.200 40.200 37.791 2.409 18128 766 1 8 . 1 1 32 32 ILE C C 32 174.800 174.800 175.211 -0.411 18128 767 1 8 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.271 -3.071 18128 768 1 8 . 1 1 32 32 ILE CB C 32 42.400 42.400 39.303 3.097 18128 769 1 8 . 1 1 33 33 GLY N N 33 110.800 110.800 116.188 -5.388 18128 770 1 8 . 1 1 33 33 GLY C C 33 171.600 171.600 173.418 -1.818 18128 771 1 8 . 1 1 33 33 GLY CA C 33 48.800 48.800 44.689 4.111 18128 772 1 8 . 1 1 34 34 LEU C C 34 173.500 173.500 176.107 -2.607 18128 773 1 8 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.845 -1.045 18128 774 1 8 . 1 1 34 34 LEU CB C 34 45.900 45.900 44.807 1.093 18128 775 1 8 . 1 1 35 35 MET N N 35 122.100 122.100 124.535 -2.435 18128 776 1 8 . 1 1 35 35 MET C C 35 173.300 173.300 175.670 -2.370 18128 777 1 8 . 1 1 35 35 MET CA C 35 54.400 54.400 55.121 -0.721 18128 778 1 8 . 1 1 35 35 MET CB C 35 37.100 37.100 33.303 3.797 18128 779 1 8 . 1 1 36 36 VAL N N 36 124.300 124.300 123.541 0.759 18128 780 1 8 . 1 1 36 36 VAL C C 36 175.200 175.200 175.491 -0.291 18128 781 1 8 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.493 -1.793 18128 782 1 8 . 1 1 36 36 VAL CB C 36 34.900 34.900 30.541 4.359 18128 783 1 8 . 1 1 37 37 GLY N N 37 116.500 116.500 111.667 4.833 18128 784 1 8 . 1 1 37 37 GLY C C 37 171.000 171.000 174.045 -3.045 18128 785 1 8 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.238 -0.338 18128 786 1 8 . 1 1 38 38 GLY N N 38 104.200 104.200 110.801 -6.601 18128 787 1 8 . 1 1 38 38 GLY C C 38 170.400 170.400 173.012 -2.612 18128 788 1 8 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.462 -0.662 18128 789 1 8 . 1 1 39 39 VAL N N 39 114.700 114.700 121.068 -6.368 18128 790 1 8 . 1 1 39 39 VAL C C 39 173.200 173.200 176.061 -2.861 18128 791 1 8 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.544 -0.444 18128 792 1 8 . 1 1 39 39 VAL CB C 39 35.200 35.200 34.199 1.001 18128 793 1 9 . 1 1 10 10 TYR C C 10 175.000 175.000 175.923 -0.923 18128 794 1 9 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.296 0.004 18128 795 1 9 . 1 1 10 10 TYR CB C 10 42.100 42.100 40.279 1.821 18128 796 1 9 . 1 1 12 12 VAL C C 12 174.600 174.600 175.210 -0.610 18128 797 1 9 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.215 -0.814 18128 798 1 9 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.924 1.376 18128 799 1 9 . 1 1 13 13 HIS C C 13 174.200 174.200 175.228 -1.028 18128 800 1 9 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.171 -0.971 18128 801 1 9 . 1 1 13 13 HIS CB C 13 34.800 34.800 30.366 4.434 18128 802 1 9 . 1 1 14 14 HIS C C 14 174.200 174.200 174.866 -0.666 18128 803 1 9 . 1 1 14 14 HIS CA C 14 55.400 55.400 56.650 -1.250 18128 804 1 9 . 1 1 14 14 HIS CB C 14 33.100 33.100 30.575 2.525 18128 805 1 9 . 1 1 15 15 GLN N N 15 123.800 123.800 119.637 4.163 18128 806 1 9 . 1 1 15 15 GLN C C 15 173.600 173.600 174.218 -0.618 18128 807 1 9 . 1 1 15 15 GLN CA C 15 55.000 55.000 54.756 0.244 18128 808 1 9 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.087 2.413 18128 809 1 9 . 1 1 16 16 LYS N N 16 126.400 126.400 120.935 5.465 18128 810 1 9 . 1 1 16 16 LYS C C 16 174.100 174.100 174.999 -0.899 18128 811 1 9 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.775 -2.075 18128 812 1 9 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.887 2.113 18128 813 1 9 . 1 1 17 17 LEU C C 17 174.600 174.600 176.077 -1.477 18128 814 1 9 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.654 -0.154 18128 815 1 9 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.329 3.071 18128 816 1 9 . 1 1 18 18 VAL C C 18 172.800 172.800 174.967 -2.167 18128 817 1 9 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.917 -1.017 18128 818 1 9 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.545 2.055 18128 819 1 9 . 1 1 19 19 PHE C C 19 171.900 171.900 175.072 -3.172 18128 820 1 9 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.676 -1.176 18128 821 1 9 . 1 1 19 19 PHE CB C 19 42.600 42.600 40.881 1.719 18128 822 1 9 . 1 1 20 20 PHE C C 20 172.200 172.200 174.170 -1.970 18128 823 1 9 . 1 1 20 20 PHE CA C 20 56.000 56.000 58.074 -2.074 18128 824 1 9 . 1 1 20 20 PHE CB C 20 42.900 42.900 41.251 1.649 18128 825 1 9 . 1 1 21 21 ALA C C 21 175.000 175.000 175.416 -0.416 18128 826 1 9 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.408 -1.308 18128 827 1 9 . 1 1 21 21 ALA CB C 21 22.700 22.700 20.440 2.260 18128 828 1 9 . 1 1 22 22 GLU C C 22 174.900 174.900 175.430 -0.530 18128 829 1 9 . 1 1 22 22 GLU CA C 22 53.900 53.900 56.169 -2.269 18128 830 1 9 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.476 2.624 18128 831 1 9 . 1 1 23 23 ASP N N 23 126.900 126.900 126.827 0.073 18128 832 1 9 . 1 1 23 23 ASP C C 23 174.200 174.200 176.333 -2.133 18128 833 1 9 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.394 3.406 18128 834 1 9 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.253 -2.053 18128 835 1 9 . 1 1 24 24 VAL N N 24 121.200 121.200 125.099 -3.899 18128 836 1 9 . 1 1 24 24 VAL C C 24 174.500 174.500 175.786 -1.286 18128 837 1 9 . 1 1 24 24 VAL CA C 24 60.300 60.300 63.387 -3.087 18128 838 1 9 . 1 1 24 24 VAL CB C 24 32.900 32.900 32.766 0.134 18128 839 1 9 . 1 1 25 25 GLY N N 25 118.000 118.000 115.044 2.956 18128 840 1 9 . 1 1 25 25 GLY C C 25 171.300 171.300 173.668 -2.368 18128 841 1 9 . 1 1 25 25 GLY CA C 25 47.000 47.000 44.994 2.006 18128 842 1 9 . 1 1 26 26 SER N N 26 112.600 112.600 117.135 -4.535 18128 843 1 9 . 1 1 26 26 SER C C 26 174.100 174.100 173.741 0.359 18128 844 1 9 . 1 1 26 26 SER CA C 26 56.400 56.400 57.381 -0.981 18128 845 1 9 . 1 1 26 26 SER CB C 26 65.700 65.700 65.803 -0.103 18128 846 1 9 . 1 1 27 27 ASN N N 27 124.000 124.000 120.004 3.996 18128 847 1 9 . 1 1 27 27 ASN C C 27 174.300 174.300 173.812 0.488 18128 848 1 9 . 1 1 27 27 ASN CA C 27 53.300 53.300 54.601 -1.301 18128 849 1 9 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.816 1.584 18128 850 1 9 . 1 1 28 28 LYS N N 28 124.000 124.000 119.824 4.176 18128 851 1 9 . 1 1 28 28 LYS C C 28 173.600 173.600 175.321 -1.721 18128 852 1 9 . 1 1 28 28 LYS CA C 28 55.500 55.500 56.272 -0.772 18128 853 1 9 . 1 1 28 28 LYS CB C 28 35.000 35.000 33.187 1.813 18128 854 1 9 . 1 1 29 29 GLY N N 29 107.500 107.500 111.658 -4.158 18128 855 1 9 . 1 1 29 29 GLY C C 29 171.400 171.400 173.705 -2.305 18128 856 1 9 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.997 -0.997 18128 857 1 9 . 1 1 30 30 ALA N N 30 127.800 127.800 125.306 2.494 18128 858 1 9 . 1 1 30 30 ALA C C 30 174.800 174.800 176.672 -1.872 18128 859 1 9 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.380 -1.480 18128 860 1 9 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.189 2.511 18128 861 1 9 . 1 1 31 31 ILE N N 31 117.900 117.900 120.697 -2.797 18128 862 1 9 . 1 1 31 31 ILE C C 31 174.100 174.100 175.043 -0.943 18128 863 1 9 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.945 -0.145 18128 864 1 9 . 1 1 31 31 ILE CB C 31 40.200 40.200 39.005 1.195 18128 865 1 9 . 1 1 32 32 ILE C C 32 174.800 174.800 175.685 -0.885 18128 866 1 9 . 1 1 32 32 ILE CA C 32 58.200 58.200 60.895 -2.695 18128 867 1 9 . 1 1 32 32 ILE CB C 32 42.400 42.400 38.759 3.641 18128 868 1 9 . 1 1 33 33 GLY N N 33 110.800 110.800 115.976 -5.176 18128 869 1 9 . 1 1 33 33 GLY C C 33 171.600 171.600 173.308 -1.708 18128 870 1 9 . 1 1 33 33 GLY CA C 33 48.800 48.800 44.791 4.009 18128 871 1 9 . 1 1 34 34 LEU C C 34 173.500 173.500 175.968 -2.468 18128 872 1 9 . 1 1 34 34 LEU CA C 34 53.800 53.800 55.164 -1.364 18128 873 1 9 . 1 1 34 34 LEU CB C 34 45.900 45.900 45.103 0.797 18128 874 1 9 . 1 1 35 35 MET N N 35 122.100 122.100 124.046 -1.946 18128 875 1 9 . 1 1 35 35 MET C C 35 173.300 173.300 175.710 -2.410 18128 876 1 9 . 1 1 35 35 MET CA C 35 54.400 54.400 55.208 -0.808 18128 877 1 9 . 1 1 35 35 MET CB C 35 37.100 37.100 33.198 3.902 18128 878 1 9 . 1 1 36 36 VAL N N 36 124.300 124.300 126.116 -1.816 18128 879 1 9 . 1 1 36 36 VAL C C 36 175.200 175.200 175.510 -0.310 18128 880 1 9 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.812 -2.112 18128 881 1 9 . 1 1 36 36 VAL CB C 36 34.900 34.900 30.544 4.356 18128 882 1 9 . 1 1 37 37 GLY N N 37 116.500 116.500 111.677 4.823 18128 883 1 9 . 1 1 37 37 GLY C C 37 171.000 171.000 173.978 -2.978 18128 884 1 9 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.348 -0.448 18128 885 1 9 . 1 1 38 38 GLY N N 38 104.200 104.200 110.448 -6.248 18128 886 1 9 . 1 1 38 38 GLY C C 38 170.400 170.400 172.672 -2.272 18128 887 1 9 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.274 -0.474 18128 888 1 9 . 1 1 39 39 VAL N N 39 114.700 114.700 118.681 -3.981 18128 889 1 9 . 1 1 39 39 VAL C C 39 173.200 173.200 175.288 -2.088 18128 890 1 9 . 1 1 39 39 VAL CA C 39 61.100 61.100 60.916 0.184 18128 891 1 9 . 1 1 39 39 VAL CB C 39 35.200 35.200 34.359 0.841 18128 892 1 10 . 1 1 10 10 TYR C C 10 175.000 175.000 175.095 -0.095 18128 893 1 10 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.330 -0.029 18128 894 1 10 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.398 2.702 18128 895 1 10 . 1 1 12 12 VAL C C 12 174.600 174.600 174.976 -0.376 18128 896 1 10 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.761 -1.361 18128 897 1 10 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.519 1.781 18128 898 1 10 . 1 1 13 13 HIS C C 13 174.200 174.200 174.431 -0.231 18128 899 1 10 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.829 -1.629 18128 900 1 10 . 1 1 13 13 HIS CB C 13 34.800 34.800 29.968 4.832 18128 901 1 10 . 1 1 14 14 HIS C C 14 174.200 174.200 174.158 0.042 18128 902 1 10 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.523 -0.123 18128 903 1 10 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.416 1.684 18128 904 1 10 . 1 1 15 15 GLN N N 15 123.800 123.800 120.578 3.222 18128 905 1 10 . 1 1 15 15 GLN C C 15 173.600 173.600 173.522 0.078 18128 906 1 10 . 1 1 15 15 GLN CA C 15 55.000 55.000 54.491 0.509 18128 907 1 10 . 1 1 15 15 GLN CB C 15 33.500 33.500 32.568 0.932 18128 908 1 10 . 1 1 16 16 LYS N N 16 126.400 126.400 120.558 5.842 18128 909 1 10 . 1 1 16 16 LYS C C 16 174.100 174.100 174.763 -0.663 18128 910 1 10 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.044 -1.344 18128 911 1 10 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.883 2.117 18128 912 1 10 . 1 1 17 17 LEU C C 17 174.600 174.600 175.896 -1.296 18128 913 1 10 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.542 -0.042 18128 914 1 10 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.102 3.298 18128 915 1 10 . 1 1 18 18 VAL C C 18 172.800 172.800 174.991 -2.191 18128 916 1 10 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.888 -0.988 18128 917 1 10 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.526 2.075 18128 918 1 10 . 1 1 19 19 PHE C C 19 171.900 171.900 175.247 -3.347 18128 919 1 10 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.565 -1.065 18128 920 1 10 . 1 1 19 19 PHE CB C 19 42.600 42.600 41.040 1.560 18128 921 1 10 . 1 1 20 20 PHE C C 20 172.200 172.200 174.208 -2.008 18128 922 1 10 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.357 -1.357 18128 923 1 10 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.447 2.454 18128 924 1 10 . 1 1 21 21 ALA C C 21 175.000 175.000 176.586 -1.586 18128 925 1 10 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.994 -1.894 18128 926 1 10 . 1 1 21 21 ALA CB C 21 22.700 22.700 19.845 2.855 18128 927 1 10 . 1 1 22 22 GLU C C 22 174.900 174.900 174.998 -0.098 18128 928 1 10 . 1 1 22 22 GLU CA C 22 53.900 53.900 56.268 -2.368 18128 929 1 10 . 1 1 22 22 GLU CB C 22 34.100 34.100 32.166 1.934 18128 930 1 10 . 1 1 23 23 ASP N N 23 126.900 126.900 121.591 5.309 18128 931 1 10 . 1 1 23 23 ASP C C 23 174.200 174.200 174.649 -0.449 18128 932 1 10 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.581 3.219 18128 933 1 10 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.672 -2.472 18128 934 1 10 . 1 1 24 24 VAL N N 24 121.200 121.200 122.792 -1.592 18128 935 1 10 . 1 1 24 24 VAL C C 24 174.500 174.500 176.561 -2.061 18128 936 1 10 . 1 1 24 24 VAL CA C 24 60.300 60.300 62.352 -2.052 18128 937 1 10 . 1 1 24 24 VAL CB C 24 32.900 32.900 32.004 0.896 18128 938 1 10 . 1 1 25 25 GLY N N 25 118.000 118.000 116.988 1.012 18128 939 1 10 . 1 1 25 25 GLY C C 25 171.300 171.300 173.861 -2.561 18128 940 1 10 . 1 1 25 25 GLY CA C 25 47.000 47.000 45.881 1.119 18128 941 1 10 . 1 1 26 26 SER N N 26 112.600 112.600 118.901 -6.301 18128 942 1 10 . 1 1 26 26 SER C C 26 174.100 174.100 173.830 0.270 18128 943 1 10 . 1 1 26 26 SER CA C 26 56.400 56.400 56.825 -0.425 18128 944 1 10 . 1 1 26 26 SER CB C 26 65.700 65.700 65.339 0.361 18128 945 1 10 . 1 1 27 27 ASN N N 27 124.000 124.000 119.458 4.542 18128 946 1 10 . 1 1 27 27 ASN C C 27 174.300 174.300 174.367 -0.067 18128 947 1 10 . 1 1 27 27 ASN CA C 27 53.300 53.300 54.148 -0.848 18128 948 1 10 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.703 1.698 18128 949 1 10 . 1 1 28 28 LYS N N 28 124.000 124.000 117.408 6.592 18128 950 1 10 . 1 1 28 28 LYS C C 28 173.600 173.600 175.835 -2.235 18128 951 1 10 . 1 1 28 28 LYS CA C 28 55.500 55.500 55.963 -0.463 18128 952 1 10 . 1 1 28 28 LYS CB C 28 35.000 35.000 33.128 1.872 18128 953 1 10 . 1 1 29 29 GLY N N 29 107.500 107.500 111.699 -4.199 18128 954 1 10 . 1 1 29 29 GLY C C 29 171.400 171.400 174.079 -2.679 18128 955 1 10 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.190 -1.190 18128 956 1 10 . 1 1 30 30 ALA N N 30 127.800 127.800 124.996 2.804 18128 957 1 10 . 1 1 30 30 ALA C C 30 174.800 174.800 176.731 -1.931 18128 958 1 10 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.322 -1.423 18128 959 1 10 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.431 2.269 18128 960 1 10 . 1 1 31 31 ILE N N 31 117.900 117.900 120.257 -2.357 18128 961 1 10 . 1 1 31 31 ILE C C 31 174.100 174.100 175.248 -1.148 18128 962 1 10 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.719 0.080 18128 963 1 10 . 1 1 31 31 ILE CB C 31 40.200 40.200 39.181 1.019 18128 964 1 10 . 1 1 32 32 ILE C C 32 174.800 174.800 176.298 -1.498 18128 965 1 10 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.078 -2.878 18128 966 1 10 . 1 1 32 32 ILE CB C 32 42.400 42.400 38.609 3.791 18128 967 1 10 . 1 1 33 33 GLY N N 33 110.800 110.800 116.555 -5.755 18128 968 1 10 . 1 1 33 33 GLY C C 33 171.600 171.600 173.413 -1.813 18128 969 1 10 . 1 1 33 33 GLY CA C 33 48.800 48.800 44.862 3.938 18128 970 1 10 . 1 1 34 34 LEU C C 34 173.500 173.500 175.951 -2.451 18128 971 1 10 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.987 -1.187 18128 972 1 10 . 1 1 34 34 LEU CB C 34 45.900 45.900 44.783 1.117 18128 973 1 10 . 1 1 35 35 MET N N 35 122.100 122.100 122.971 -0.871 18128 974 1 10 . 1 1 35 35 MET C C 35 173.300 173.300 176.029 -2.729 18128 975 1 10 . 1 1 35 35 MET CA C 35 54.400 54.400 54.964 -0.564 18128 976 1 10 . 1 1 35 35 MET CB C 35 37.100 37.100 33.148 3.953 18128 977 1 10 . 1 1 36 36 VAL N N 36 124.300 124.300 124.808 -0.508 18128 978 1 10 . 1 1 36 36 VAL C C 36 175.200 175.200 176.172 -0.972 18128 979 1 10 . 1 1 36 36 VAL CA C 36 59.700 59.700 62.388 -2.688 18128 980 1 10 . 1 1 36 36 VAL CB C 36 34.900 34.900 30.125 4.775 18128 981 1 10 . 1 1 37 37 GLY N N 37 116.500 116.500 113.454 3.046 18128 982 1 10 . 1 1 37 37 GLY C C 37 171.000 171.000 174.745 -3.745 18128 983 1 10 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.071 -0.171 18128 984 1 10 . 1 1 38 38 GLY N N 38 104.200 104.200 107.074 -2.874 18128 985 1 10 . 1 1 38 38 GLY C C 38 170.400 170.400 172.924 -2.524 18128 986 1 10 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.218 -0.418 18128 987 1 10 . 1 1 39 39 VAL N N 39 114.700 114.700 118.267 -3.567 18128 988 1 10 . 1 1 39 39 VAL C C 39 173.200 173.200 175.987 -2.787 18128 989 1 10 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.081 0.019 18128 990 1 10 . 1 1 39 39 VAL CB C 39 35.200 35.200 33.710 1.490 18128 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 17 4.394 -0.683 4.474 18128 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18128 3 1 1 "Average Difference" C 29 2.033 1.675 1.172 18128 4 1 1 "Average Difference" CA 29 1.477 0.536 1.400 18128 5 1 1 "Average Difference" CB 24 2.399 -1.972 1.396 18128 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18128 7 1 2 "Average Difference" N 17 3.974 -0.628 4.044 18128 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18128 9 1 2 "Average Difference" C 29 1.861 1.499 1.124 18128 10 1 2 "Average Difference" CA 29 1.498 0.637 1.379 18128 11 1 2 "Average Difference" CB 24 2.593 -2.198 1.405 18128 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18128 13 1 3 "Average Difference" N 17 3.614 -0.799 3.633 18128 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18128 15 1 3 "Average Difference" C 29 1.947 1.622 1.096 18128 16 1 3 "Average Difference" CA 29 1.570 0.735 1.412 18128 17 1 3 "Average Difference" CB 24 2.572 -2.186 1.385 18128 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18128 19 1 4 "Average Difference" N 17 4.286 -0.440 4.394 18128 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18128 21 1 4 "Average Difference" C 29 1.878 1.441 1.226 18128 22 1 4 "Average Difference" CA 29 1.520 0.609 1.417 18128 23 1 4 "Average Difference" CB 24 2.438 -1.989 1.439 18128 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18128 25 1 5 "Average Difference" N 17 3.932 0.292 4.042 18128 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18128 27 1 5 "Average Difference" C 29 1.795 1.469 1.051 18128 28 1 5 "Average Difference" CA 29 1.709 0.723 1.576 18128 29 1 5 "Average Difference" CB 24 2.748 -2.239 1.627 18128 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18128 31 1 6 "Average Difference" N 17 4.947 -0.237 5.093 18128 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18128 33 1 6 "Average Difference" C 29 2.016 1.599 1.251 18128 34 1 6 "Average Difference" CA 29 1.568 0.613 1.468 18128 35 1 6 "Average Difference" CB 24 2.268 -1.888 1.284 18128 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18128 37 1 7 "Average Difference" N 17 4.239 -0.977 4.252 18128 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18128 39 1 7 "Average Difference" C 29 1.878 1.357 1.321 18128 40 1 7 "Average Difference" CA 29 1.672 0.714 1.538 18128 41 1 7 "Average Difference" CB 24 2.547 -2.106 1.463 18128 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18128 43 1 8 "Average Difference" N 17 4.303 0.339 4.421 18128 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18128 45 1 8 "Average Difference" C 29 1.920 1.524 1.189 18128 46 1 8 "Average Difference" CA 29 1.687 0.724 1.551 18128 47 1 8 "Average Difference" CB 24 2.570 -1.986 1.666 18128 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18128 49 1 9 "Average Difference" N 17 3.974 0.377 4.078 18128 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18128 51 1 9 "Average Difference" C 29 1.703 1.427 0.947 18128 52 1 9 "Average Difference" CA 29 1.697 0.687 1.579 18128 53 1 9 "Average Difference" CB 24 2.410 -1.945 1.454 18128 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18128 55 1 10 "Average Difference" N 17 4.026 -0.256 4.141 18128 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18128 57 1 10 "Average Difference" C 29 1.869 1.488 1.151 18128 58 1 10 "Average Difference" CA 29 1.587 0.608 1.492 18128 59 1 10 "Average Difference" CB 24 2.528 -2.041 1.524 18128 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18128 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 18128 _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 10 10 TYR C C 10 175.000 175.000 175.228 -0.228 18128 2 1 . 1 1 10 10 TYR CA C 10 57.300 57.300 57.338 -0.038 18128 3 1 . 1 1 10 10 TYR CB C 10 42.100 42.100 39.867 2.233 18128 4 1 . 1 1 12 12 VAL C C 12 174.600 174.600 174.922 -0.322 18128 5 1 . 1 1 12 12 VAL CA C 12 60.400 60.400 61.566 -1.166 18128 6 1 . 1 1 12 12 VAL CB C 12 35.300 35.300 33.612 1.688 18128 7 1 . 1 1 13 13 HIS C C 13 174.200 174.200 174.196 0.004 18128 8 1 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.375 -1.175 18128 9 1 . 1 1 13 13 HIS CB C 13 34.800 34.800 31.035 3.765 18128 10 1 . 1 1 14 14 HIS C C 14 174.200 174.200 174.450 -0.250 18128 11 1 . 1 1 14 14 HIS CA C 14 55.400 55.400 55.733 -0.333 18128 12 1 . 1 1 14 14 HIS CB C 14 33.100 33.100 31.419 1.681 18128 13 1 . 1 1 15 15 GLN N N 15 123.800 123.800 119.507 4.293 18128 14 1 . 1 1 15 15 GLN C C 15 173.600 173.600 174.542 -0.942 18128 15 1 . 1 1 15 15 GLN CA C 15 55.000 55.000 55.006 -0.006 18128 16 1 . 1 1 15 15 GLN CB C 15 33.500 33.500 31.244 2.256 18128 17 1 . 1 1 16 16 LYS N N 16 126.400 126.400 121.163 5.237 18128 18 1 . 1 1 16 16 LYS C C 16 174.100 174.100 175.324 -1.224 18128 19 1 . 1 1 16 16 LYS CA C 16 54.700 54.700 56.290 -1.590 18128 20 1 . 1 1 16 16 LYS CB C 16 36.000 36.000 33.685 2.315 18128 21 1 . 1 1 17 17 LEU C C 17 174.600 174.600 175.921 -1.321 18128 22 1 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.582 -0.082 18128 23 1 . 1 1 17 17 LEU CB C 17 46.400 46.400 43.197 3.203 18128 24 1 . 1 1 18 18 VAL C C 18 172.800 172.800 174.771 -1.971 18128 25 1 . 1 1 18 18 VAL CA C 18 60.900 60.900 61.895 -0.995 18128 26 1 . 1 1 18 18 VAL CB C 18 35.600 35.600 33.616 1.984 18128 27 1 . 1 1 19 19 PHE C C 19 171.900 171.900 174.942 -3.042 18128 28 1 . 1 1 19 19 PHE CA C 19 56.500 56.500 57.705 -1.205 18128 29 1 . 1 1 19 19 PHE CB C 19 42.600 42.600 41.214 1.386 18128 30 1 . 1 1 20 20 PHE C C 20 172.200 172.200 174.083 -1.883 18128 31 1 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.222 -1.222 18128 32 1 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.692 2.208 18128 33 1 . 1 1 21 21 ALA C C 21 175.000 175.000 176.246 -1.246 18128 34 1 . 1 1 21 21 ALA CA C 21 50.100 50.100 51.859 -1.759 18128 35 1 . 1 1 21 21 ALA CB C 21 22.700 22.700 20.276 2.424 18128 36 1 . 1 1 22 22 GLU C C 22 174.900 174.900 174.986 -0.086 18128 37 1 . 1 1 22 22 GLU CA C 22 53.900 53.900 56.193 -2.293 18128 38 1 . 1 1 22 22 GLU CB C 22 34.100 34.100 31.225 2.875 18128 39 1 . 1 1 23 23 ASP N N 23 126.900 126.900 123.612 3.288 18128 40 1 . 1 1 23 23 ASP C C 23 174.200 174.200 175.876 -1.676 18128 41 1 . 1 1 23 23 ASP CA C 23 56.800 56.800 53.688 3.112 18128 42 1 . 1 1 23 23 ASP CB C 23 39.200 39.200 41.737 -2.537 18128 43 1 . 1 1 24 24 VAL N N 24 121.200 121.200 123.110 -1.910 18128 44 1 . 1 1 24 24 VAL C C 24 174.500 174.500 176.738 -2.238 18128 45 1 . 1 1 24 24 VAL CA C 24 60.300 60.300 62.626 -2.326 18128 46 1 . 1 1 24 24 VAL CB C 24 32.900 32.900 32.068 0.832 18128 47 1 . 1 1 25 25 GLY N N 25 118.000 118.000 113.053 4.947 18128 48 1 . 1 1 25 25 GLY C C 25 171.300 171.300 174.163 -2.863 18128 49 1 . 1 1 25 25 GLY CA C 25 47.000 47.000 45.932 1.067 18128 50 1 . 1 1 26 26 SER N N 26 112.600 112.600 116.293 -3.693 18128 51 1 . 1 1 26 26 SER C C 26 174.100 174.100 173.706 0.394 18128 52 1 . 1 1 26 26 SER CA C 26 56.400 56.400 57.357 -0.957 18128 53 1 . 1 1 26 26 SER CB C 26 65.700 65.700 64.457 1.243 18128 54 1 . 1 1 27 27 ASN N N 27 124.000 124.000 119.733 4.267 18128 55 1 . 1 1 27 27 ASN C C 27 174.300 174.300 174.232 0.068 18128 56 1 . 1 1 27 27 ASN CA C 27 53.300 53.300 54.226 -0.926 18128 57 1 . 1 1 27 27 ASN CB C 27 40.400 40.400 38.875 1.525 18128 58 1 . 1 1 28 28 LYS N N 28 124.000 124.000 118.875 5.125 18128 59 1 . 1 1 28 28 LYS C C 28 173.600 173.600 176.207 -2.607 18128 60 1 . 1 1 28 28 LYS CA C 28 55.500 55.500 56.342 -0.842 18128 61 1 . 1 1 28 28 LYS CB C 28 35.000 35.000 32.820 2.180 18128 62 1 . 1 1 29 29 GLY N N 29 107.500 107.500 111.885 -4.385 18128 63 1 . 1 1 29 29 GLY C C 29 171.400 171.400 174.019 -2.619 18128 64 1 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.076 -1.076 18128 65 1 . 1 1 30 30 ALA N N 30 127.800 127.800 125.721 2.079 18128 66 1 . 1 1 30 30 ALA C C 30 174.800 174.800 176.693 -1.893 18128 67 1 . 1 1 30 30 ALA CA C 30 49.900 49.900 51.645 -1.745 18128 68 1 . 1 1 30 30 ALA CB C 30 22.700 22.700 20.118 2.582 18128 69 1 . 1 1 31 31 ILE N N 31 117.900 117.900 120.218 -2.318 18128 70 1 . 1 1 31 31 ILE C C 31 174.100 174.100 175.084 -0.984 18128 71 1 . 1 1 31 31 ILE CA C 31 60.800 60.800 61.111 -0.311 18128 72 1 . 1 1 31 31 ILE CB C 31 40.200 40.200 39.102 1.097 18128 73 1 . 1 1 32 32 ILE C C 32 174.800 174.800 175.750 -0.950 18128 74 1 . 1 1 32 32 ILE CA C 32 58.200 58.200 61.127 -2.928 18128 75 1 . 1 1 32 32 ILE CB C 32 42.400 42.400 38.841 3.558 18128 76 1 . 1 1 33 33 GLY N N 33 110.800 110.800 115.751 -4.951 18128 77 1 . 1 1 33 33 GLY C C 33 171.600 171.600 173.466 -1.866 18128 78 1 . 1 1 33 33 GLY CA C 33 48.800 48.800 44.922 3.879 18128 79 1 . 1 1 34 34 LEU C C 34 173.500 173.500 175.976 -2.476 18128 80 1 . 1 1 34 34 LEU CA C 34 53.800 53.800 54.604 -0.804 18128 81 1 . 1 1 34 34 LEU CB C 34 45.900 45.900 44.460 1.440 18128 82 1 . 1 1 35 35 MET N N 35 122.100 122.100 122.691 -0.591 18128 83 1 . 1 1 35 35 MET C C 35 173.300 173.300 175.570 -2.270 18128 84 1 . 1 1 35 35 MET CA C 35 54.400 54.400 55.019 -0.618 18128 85 1 . 1 1 35 35 MET CB C 35 37.100 37.100 33.437 3.663 18128 86 1 . 1 1 36 36 VAL N N 36 124.300 124.300 125.098 -0.798 18128 87 1 . 1 1 36 36 VAL C C 36 175.200 175.200 175.929 -0.729 18128 88 1 . 1 1 36 36 VAL CA C 36 59.700 59.700 61.905 -2.205 18128 89 1 . 1 1 36 36 VAL CB C 36 34.900 34.900 30.304 4.596 18128 90 1 . 1 1 37 37 GLY N N 37 116.500 116.500 112.718 3.782 18128 91 1 . 1 1 37 37 GLY C C 37 171.000 171.000 174.497 -3.497 18128 92 1 . 1 1 37 37 GLY CA C 37 44.900 44.900 45.106 -0.206 18128 93 1 . 1 1 38 38 GLY N N 38 104.200 104.200 108.811 -4.611 18128 94 1 . 1 1 38 38 GLY C C 38 170.400 170.400 173.080 -2.680 18128 95 1 . 1 1 38 38 GLY CA C 38 44.800 44.800 45.024 -0.224 18128 96 1 . 1 1 39 39 VAL N N 39 114.700 114.700 119.343 -4.643 18128 97 1 . 1 1 39 39 VAL C C 39 173.200 173.200 175.592 -2.392 18128 98 1 . 1 1 39 39 VAL CA C 39 61.100 61.100 61.224 -0.124 18128 99 1 . 1 1 39 39 VAL CB C 39 35.200 35.200 34.078 1.122 18128 stop_ save_