data_18131 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18131 _Entry.PDB_ID 2LMQ 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 18131 _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 10 173.700 173.700 175.101 -1.401 18131 2 1 1 . 1 1 10 10 TYR CA C 10 54.200 54.200 57.300 -3.100 18131 3 1 1 . 1 1 10 10 TYR CB C 10 37.700 37.700 39.580 -1.879 18131 4 1 1 . 1 1 11 11 GLU C C 11 173.200 173.200 175.053 -1.853 18131 5 1 1 . 1 1 11 11 GLU CA C 11 54.500 54.500 56.385 -1.885 18131 6 1 1 . 1 1 11 11 GLU CB C 11 31.400 31.400 31.780 -0.380 18131 7 1 1 . 1 1 12 12 VAL C C 12 174.100 174.100 175.594 -1.494 18131 8 1 1 . 1 1 12 12 VAL CA C 12 61.000 61.000 62.131 -1.131 18131 9 1 1 . 1 1 12 12 VAL CB C 12 35.400 35.400 32.836 2.564 18131 10 1 1 . 1 1 13 13 HIS C C 13 172.900 172.900 173.980 -1.080 18131 11 1 1 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.023 -0.823 18131 12 1 1 . 1 1 13 13 HIS CB C 13 31.200 31.200 30.956 0.244 18131 13 1 1 . 1 1 14 14 HIS C C 14 171.900 171.900 173.950 -2.050 18131 14 1 1 . 1 1 14 14 HIS CA C 14 53.700 53.700 55.255 -1.555 18131 15 1 1 . 1 1 14 14 HIS CB C 14 35.400 35.400 30.874 4.526 18131 16 1 1 . 1 1 15 15 GLN C C 15 173.400 173.400 175.338 -1.938 18131 17 1 1 . 1 1 15 15 GLN CA C 15 54.600 54.600 55.085 -0.485 18131 18 1 1 . 1 1 15 15 GLN CB C 15 33.700 33.700 31.601 2.099 18131 19 1 1 . 1 1 16 16 LYS C C 16 173.500 173.500 175.860 -2.360 18131 20 1 1 . 1 1 16 16 LYS CA C 16 54.300 54.300 56.144 -1.844 18131 21 1 1 . 1 1 16 16 LYS CB C 16 36.200 36.200 32.992 3.208 18131 22 1 1 . 1 1 17 17 LEU C C 17 174.700 174.700 176.441 -1.741 18131 23 1 1 . 1 1 17 17 LEU CA C 17 53.900 53.900 54.472 -0.572 18131 24 1 1 . 1 1 17 17 LEU CB C 17 44.900 44.900 43.136 1.764 18131 25 1 1 . 1 1 18 18 VAL C C 18 174.100 174.100 175.014 -0.914 18131 26 1 1 . 1 1 18 18 VAL CA C 18 60.600 60.600 62.036 -1.436 18131 27 1 1 . 1 1 18 18 VAL CB C 18 35.300 35.300 33.504 1.796 18131 28 1 1 . 1 1 19 19 PHE C C 19 172.700 172.700 174.490 -1.790 18131 29 1 1 . 1 1 19 19 PHE CA C 19 56.100 56.100 57.820 -1.720 18131 30 1 1 . 1 1 19 19 PHE CB C 19 42.200 42.200 40.955 1.245 18131 31 1 1 . 1 1 20 20 PHE C C 20 172.300 172.300 173.681 -1.381 18131 32 1 1 . 1 1 20 20 PHE CA C 20 56.000 56.000 56.812 -0.812 18131 33 1 1 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.615 2.285 18131 34 1 1 . 1 1 21 21 ALA C C 21 175.100 175.100 176.442 -1.342 18131 35 1 1 . 1 1 21 21 ALA CA C 21 49.700 49.700 51.988 -2.288 18131 36 1 1 . 1 1 21 21 ALA CB C 21 22.100 22.100 20.402 1.698 18131 37 1 1 . 1 1 22 22 GLU C C 22 176.000 176.000 175.244 0.756 18131 38 1 1 . 1 1 22 22 GLU CA C 22 54.400 54.400 56.021 -1.621 18131 39 1 1 . 1 1 22 22 GLU CB C 22 33.900 33.900 30.785 3.115 18131 40 1 1 . 1 1 23 23 ASP C C 23 174.400 174.400 174.693 -0.293 18131 41 1 1 . 1 1 23 23 ASP CA C 23 56.500 56.500 53.784 2.716 18131 42 1 1 . 1 1 23 23 ASP CB C 23 39.100 39.100 41.739 -2.639 18131 43 1 1 . 1 1 24 24 VAL C C 24 176.800 176.800 177.218 -0.418 18131 44 1 1 . 1 1 24 24 VAL CA C 24 60.100 60.100 63.214 -3.114 18131 45 1 1 . 1 1 24 24 VAL CB C 24 32.700 32.700 32.671 0.029 18131 46 1 1 . 1 1 25 25 GLY C C 25 171.500 171.500 173.679 -2.179 18131 47 1 1 . 1 1 25 25 GLY CA C 25 46.500 46.500 45.199 1.301 18131 48 1 1 . 1 1 26 26 SER C C 26 173.800 173.800 172.832 0.968 18131 49 1 1 . 1 1 26 26 SER CA C 26 55.700 55.700 56.892 -1.192 18131 50 1 1 . 1 1 26 26 SER CB C 26 65.300 65.300 65.687 -0.387 18131 51 1 1 . 1 1 27 27 ASN C C 27 174.300 174.300 176.021 -1.721 18131 52 1 1 . 1 1 27 27 ASN CA C 27 53.100 53.100 53.915 -0.815 18131 53 1 1 . 1 1 27 27 ASN CB C 27 40.800 40.800 39.201 1.599 18131 54 1 1 . 1 1 28 28 LYS C C 28 175.300 175.300 177.171 -1.871 18131 55 1 1 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.601 -2.101 18131 56 1 1 . 1 1 28 28 LYS CB C 28 35.500 35.500 32.873 2.627 18131 57 1 1 . 1 1 29 29 GLY C C 29 171.700 171.700 173.479 -1.779 18131 58 1 1 . 1 1 29 29 GLY CA C 29 43.500 43.500 44.671 -1.171 18131 59 1 1 . 1 1 30 30 ALA C C 30 175.200 175.200 177.086 -1.886 18131 60 1 1 . 1 1 30 30 ALA CA C 30 49.800 49.800 51.700 -1.900 18131 61 1 1 . 1 1 30 30 ALA CB C 30 21.300 21.300 18.634 2.666 18131 62 1 1 . 1 1 31 31 ILE C C 31 173.600 173.600 174.760 -1.160 18131 63 1 1 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.460 0.340 18131 64 1 1 . 1 1 31 31 ILE CB C 31 39.900 39.900 40.208 -0.308 18131 65 1 1 . 1 1 32 32 ILE C C 32 175.700 175.700 175.838 -0.138 18131 66 1 1 . 1 1 32 32 ILE CA C 32 57.200 57.200 61.040 -3.840 18131 67 1 1 . 1 1 32 32 ILE CB C 32 42.200 42.200 38.153 4.048 18131 68 1 1 . 1 1 33 33 GLY C C 33 171.700 171.700 173.562 -1.862 18131 69 1 1 . 1 1 33 33 GLY CA C 33 48.100 48.100 44.932 3.168 18131 70 1 1 . 1 1 34 34 LEU C C 34 173.200 173.200 176.133 -2.933 18131 71 1 1 . 1 1 34 34 LEU CA C 34 54.200 54.200 54.301 -0.101 18131 72 1 1 . 1 1 34 34 LEU CB C 34 45.800 45.800 44.982 0.818 18131 73 1 1 . 1 1 35 35 MET C C 35 172.900 172.900 174.883 -1.983 18131 74 1 1 . 1 1 35 35 MET CA C 35 54.100 54.100 55.038 -0.938 18131 75 1 1 . 1 1 35 35 MET CB C 35 36.400 36.400 33.803 2.597 18131 76 1 1 . 1 1 36 36 VAL C C 36 175.400 175.400 175.295 0.105 18131 77 1 1 . 1 1 36 36 VAL CA C 36 58.900 58.900 62.222 -3.322 18131 78 1 1 . 1 1 36 36 VAL CB C 36 35.100 35.100 31.497 3.603 18131 79 1 1 . 1 1 37 37 GLY C C 37 172.300 172.300 174.639 -2.339 18131 80 1 1 . 1 1 37 37 GLY CA C 37 48.300 48.300 45.233 3.067 18131 81 1 1 . 1 1 38 38 GLY C C 38 171.300 171.300 173.994 -2.694 18131 82 1 1 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.781 -1.681 18131 83 1 1 . 1 1 39 39 VAL C C 39 173.500 173.500 176.206 -2.706 18131 84 1 1 . 1 1 39 39 VAL CA C 39 60.600 60.600 61.258 -0.658 18131 85 1 1 . 1 1 39 39 VAL CB C 39 34.100 34.100 34.583 -0.483 18131 86 1 2 . 1 1 10 10 TYR C C 10 173.700 173.700 175.342 -1.642 18131 87 1 2 . 1 1 10 10 TYR CA C 10 54.200 54.200 57.630 -3.429 18131 88 1 2 . 1 1 10 10 TYR CB C 10 37.700 37.700 39.459 -1.759 18131 89 1 2 . 1 1 11 11 GLU C C 11 173.200 173.200 174.602 -1.402 18131 90 1 2 . 1 1 11 11 GLU CA C 11 54.500 54.500 55.535 -1.035 18131 91 1 2 . 1 1 11 11 GLU CB C 11 31.400 31.400 30.553 0.847 18131 92 1 2 . 1 1 12 12 VAL C C 12 174.100 174.100 175.024 -0.924 18131 93 1 2 . 1 1 12 12 VAL CA C 12 61.000 61.000 61.573 -0.573 18131 94 1 2 . 1 1 12 12 VAL CB C 12 35.400 35.400 32.788 2.612 18131 95 1 2 . 1 1 13 13 HIS C C 13 172.900 172.900 174.884 -1.984 18131 96 1 2 . 1 1 13 13 HIS CA C 13 54.200 54.200 54.924 -0.724 18131 97 1 2 . 1 1 13 13 HIS CB C 13 31.200 31.200 31.493 -0.293 18131 98 1 2 . 1 1 14 14 HIS C C 14 171.900 171.900 174.960 -3.060 18131 99 1 2 . 1 1 14 14 HIS CA C 14 53.700 53.700 55.986 -2.286 18131 100 1 2 . 1 1 14 14 HIS CB C 14 35.400 35.400 30.779 4.621 18131 101 1 2 . 1 1 15 15 GLN C C 15 173.400 173.400 175.340 -1.940 18131 102 1 2 . 1 1 15 15 GLN CA C 15 54.600 54.600 55.139 -0.539 18131 103 1 2 . 1 1 15 15 GLN CB C 15 33.700 33.700 31.219 2.481 18131 104 1 2 . 1 1 16 16 LYS C C 16 173.500 173.500 175.613 -2.113 18131 105 1 2 . 1 1 16 16 LYS CA C 16 54.300 54.300 55.843 -1.543 18131 106 1 2 . 1 1 16 16 LYS CB C 16 36.200 36.200 32.877 3.323 18131 107 1 2 . 1 1 17 17 LEU C C 17 174.700 174.700 175.574 -0.874 18131 108 1 2 . 1 1 17 17 LEU CA C 17 53.900 53.900 54.531 -0.631 18131 109 1 2 . 1 1 17 17 LEU CB C 17 44.900 44.900 43.069 1.831 18131 110 1 2 . 1 1 18 18 VAL C C 18 174.100 174.100 174.991 -0.891 18131 111 1 2 . 1 1 18 18 VAL CA C 18 60.600 60.600 61.894 -1.294 18131 112 1 2 . 1 1 18 18 VAL CB C 18 35.300 35.300 33.632 1.668 18131 113 1 2 . 1 1 19 19 PHE C C 19 172.700 172.700 175.074 -2.374 18131 114 1 2 . 1 1 19 19 PHE CA C 19 56.100 56.100 57.781 -1.681 18131 115 1 2 . 1 1 19 19 PHE CB C 19 42.200 42.200 41.801 0.399 18131 116 1 2 . 1 1 20 20 PHE C C 20 172.300 172.300 173.913 -1.613 18131 117 1 2 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.314 -1.314 18131 118 1 2 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.485 2.415 18131 119 1 2 . 1 1 21 21 ALA C C 21 175.100 175.100 176.662 -1.562 18131 120 1 2 . 1 1 21 21 ALA CA C 21 49.700 49.700 52.074 -2.374 18131 121 1 2 . 1 1 21 21 ALA CB C 21 22.100 22.100 20.092 2.008 18131 122 1 2 . 1 1 22 22 GLU C C 22 176.000 176.000 175.008 0.992 18131 123 1 2 . 1 1 22 22 GLU CA C 22 54.400 54.400 56.456 -2.056 18131 124 1 2 . 1 1 22 22 GLU CB C 22 33.900 33.900 31.949 1.951 18131 125 1 2 . 1 1 23 23 ASP C C 23 174.400 174.400 175.077 -0.677 18131 126 1 2 . 1 1 23 23 ASP CA C 23 56.500 56.500 54.730 1.770 18131 127 1 2 . 1 1 23 23 ASP CB C 23 39.100 39.100 40.321 -1.221 18131 128 1 2 . 1 1 24 24 VAL C C 24 176.800 176.800 176.997 -0.197 18131 129 1 2 . 1 1 24 24 VAL CA C 24 60.100 60.100 61.304 -1.204 18131 130 1 2 . 1 1 24 24 VAL CB C 24 32.700 32.700 32.782 -0.083 18131 131 1 2 . 1 1 25 25 GLY C C 25 171.500 171.500 174.808 -3.308 18131 132 1 2 . 1 1 25 25 GLY CA C 25 46.500 46.500 46.251 0.249 18131 133 1 2 . 1 1 26 26 SER C C 26 173.800 173.800 173.643 0.157 18131 134 1 2 . 1 1 26 26 SER CA C 26 55.700 55.700 57.910 -2.210 18131 135 1 2 . 1 1 26 26 SER CB C 26 65.300 65.300 65.058 0.242 18131 136 1 2 . 1 1 27 27 ASN C C 27 174.300 174.300 176.330 -2.030 18131 137 1 2 . 1 1 27 27 ASN CA C 27 53.100 53.100 53.490 -0.390 18131 138 1 2 . 1 1 27 27 ASN CB C 27 40.800 40.800 39.096 1.704 18131 139 1 2 . 1 1 28 28 LYS C C 28 175.300 175.300 177.943 -2.643 18131 140 1 2 . 1 1 28 28 LYS CA C 28 55.500 55.500 58.208 -2.708 18131 141 1 2 . 1 1 28 28 LYS CB C 28 35.500 35.500 32.711 2.789 18131 142 1 2 . 1 1 29 29 GLY C C 29 171.700 171.700 173.869 -2.169 18131 143 1 2 . 1 1 29 29 GLY CA C 29 43.500 43.500 45.632 -2.132 18131 144 1 2 . 1 1 30 30 ALA C C 30 175.200 175.200 176.308 -1.108 18131 145 1 2 . 1 1 30 30 ALA CA C 30 49.800 49.800 52.144 -2.344 18131 146 1 2 . 1 1 30 30 ALA CB C 30 21.300 21.300 19.895 1.405 18131 147 1 2 . 1 1 31 31 ILE C C 31 173.600 173.600 174.782 -1.182 18131 148 1 2 . 1 1 31 31 ILE CA C 31 60.800 60.800 61.504 -0.704 18131 149 1 2 . 1 1 31 31 ILE CB C 31 39.900 39.900 39.082 0.818 18131 150 1 2 . 1 1 32 32 ILE C C 32 175.700 175.700 176.088 -0.388 18131 151 1 2 . 1 1 32 32 ILE CA C 32 57.200 57.200 60.998 -3.798 18131 152 1 2 . 1 1 32 32 ILE CB C 32 42.200 42.200 38.556 3.644 18131 153 1 2 . 1 1 33 33 GLY C C 33 171.700 171.700 173.564 -1.864 18131 154 1 2 . 1 1 33 33 GLY CA C 33 48.100 48.100 44.998 3.102 18131 155 1 2 . 1 1 34 34 LEU C C 34 173.200 173.200 176.628 -3.428 18131 156 1 2 . 1 1 34 34 LEU CA C 34 54.200 54.200 54.234 -0.034 18131 157 1 2 . 1 1 34 34 LEU CB C 34 45.800 45.800 44.880 0.920 18131 158 1 2 . 1 1 35 35 MET C C 35 172.900 172.900 175.100 -2.200 18131 159 1 2 . 1 1 35 35 MET CA C 35 54.100 54.100 54.922 -0.822 18131 160 1 2 . 1 1 35 35 MET CB C 35 36.400 36.400 32.798 3.602 18131 161 1 2 . 1 1 36 36 VAL C C 36 175.400 175.400 176.262 -0.862 18131 162 1 2 . 1 1 36 36 VAL CA C 36 58.900 58.900 61.798 -2.898 18131 163 1 2 . 1 1 36 36 VAL CB C 36 35.100 35.100 32.059 3.041 18131 164 1 2 . 1 1 37 37 GLY C C 37 172.300 172.300 174.883 -2.583 18131 165 1 2 . 1 1 37 37 GLY CA C 37 48.300 48.300 44.596 3.704 18131 166 1 2 . 1 1 38 38 GLY C C 38 171.300 171.300 174.583 -3.283 18131 167 1 2 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.281 -1.181 18131 168 1 2 . 1 1 39 39 VAL C C 39 173.500 173.500 176.401 -2.901 18131 169 1 2 . 1 1 39 39 VAL CA C 39 60.600 60.600 61.314 -0.714 18131 170 1 2 . 1 1 39 39 VAL CB C 39 34.100 34.100 33.367 0.733 18131 171 1 3 . 1 1 10 10 TYR C C 10 173.700 173.700 176.096 -2.396 18131 172 1 3 . 1 1 10 10 TYR CA C 10 54.200 54.200 57.353 -3.153 18131 173 1 3 . 1 1 10 10 TYR CB C 10 37.700 37.700 39.667 -1.967 18131 174 1 3 . 1 1 11 11 GLU C C 11 173.200 173.200 175.579 -2.379 18131 175 1 3 . 1 1 11 11 GLU CA C 11 54.500 54.500 56.367 -1.867 18131 176 1 3 . 1 1 11 11 GLU CB C 11 31.400 31.400 29.472 1.928 18131 177 1 3 . 1 1 12 12 VAL C C 12 174.100 174.100 174.346 -0.246 18131 178 1 3 . 1 1 12 12 VAL CA C 12 61.000 61.000 60.391 0.609 18131 179 1 3 . 1 1 12 12 VAL CB C 12 35.400 35.400 34.142 1.258 18131 180 1 3 . 1 1 13 13 HIS C C 13 172.900 172.900 173.416 -0.516 18131 181 1 3 . 1 1 13 13 HIS CA C 13 54.200 54.200 56.062 -1.862 18131 182 1 3 . 1 1 13 13 HIS CB C 13 31.200 31.200 30.455 0.745 18131 183 1 3 . 1 1 14 14 HIS C C 14 171.900 171.900 173.772 -1.872 18131 184 1 3 . 1 1 14 14 HIS CA C 14 53.700 53.700 55.556 -1.856 18131 185 1 3 . 1 1 14 14 HIS CB C 14 35.400 35.400 32.348 3.052 18131 186 1 3 . 1 1 15 15 GLN C C 15 173.400 173.400 174.187 -0.787 18131 187 1 3 . 1 1 15 15 GLN CA C 15 54.600 54.600 55.170 -0.571 18131 188 1 3 . 1 1 15 15 GLN CB C 15 33.700 33.700 31.394 2.306 18131 189 1 3 . 1 1 16 16 LYS C C 16 173.500 173.500 176.269 -2.769 18131 190 1 3 . 1 1 16 16 LYS CA C 16 54.300 54.300 56.086 -1.786 18131 191 1 3 . 1 1 16 16 LYS CB C 16 36.200 36.200 32.733 3.467 18131 192 1 3 . 1 1 17 17 LEU C C 17 174.700 174.700 175.899 -1.199 18131 193 1 3 . 1 1 17 17 LEU CA C 17 53.900 53.900 54.351 -0.451 18131 194 1 3 . 1 1 17 17 LEU CB C 17 44.900 44.900 43.212 1.688 18131 195 1 3 . 1 1 18 18 VAL C C 18 174.100 174.100 175.019 -0.919 18131 196 1 3 . 1 1 18 18 VAL CA C 18 60.600 60.600 61.931 -1.331 18131 197 1 3 . 1 1 18 18 VAL CB C 18 35.300 35.300 33.797 1.504 18131 198 1 3 . 1 1 19 19 PHE C C 19 172.700 172.700 175.211 -2.511 18131 199 1 3 . 1 1 19 19 PHE CA C 19 56.100 56.100 57.630 -1.530 18131 200 1 3 . 1 1 19 19 PHE CB C 19 42.200 42.200 40.563 1.637 18131 201 1 3 . 1 1 20 20 PHE C C 20 172.300 172.300 174.257 -1.957 18131 202 1 3 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.170 -1.170 18131 203 1 3 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.535 2.365 18131 204 1 3 . 1 1 21 21 ALA C C 21 175.100 175.100 176.791 -1.691 18131 205 1 3 . 1 1 21 21 ALA CA C 21 49.700 49.700 51.595 -1.895 18131 206 1 3 . 1 1 21 21 ALA CB C 21 22.100 22.100 20.631 1.469 18131 207 1 3 . 1 1 22 22 GLU C C 22 176.000 176.000 176.651 -0.651 18131 208 1 3 . 1 1 22 22 GLU CA C 22 54.400 54.400 55.293 -0.893 18131 209 1 3 . 1 1 22 22 GLU CB C 22 33.900 33.900 30.238 3.662 18131 210 1 3 . 1 1 23 23 ASP C C 23 174.400 174.400 177.457 -3.057 18131 211 1 3 . 1 1 23 23 ASP CA C 23 56.500 56.500 56.329 0.171 18131 212 1 3 . 1 1 23 23 ASP CB C 23 39.100 39.100 40.466 -1.366 18131 213 1 3 . 1 1 24 24 VAL C C 24 176.800 176.800 177.182 -0.382 18131 214 1 3 . 1 1 24 24 VAL CA C 24 60.100 60.100 63.502 -3.402 18131 215 1 3 . 1 1 24 24 VAL CB C 24 32.700 32.700 32.767 -0.067 18131 216 1 3 . 1 1 25 25 GLY C C 25 171.500 171.500 173.832 -2.332 18131 217 1 3 . 1 1 25 25 GLY CA C 25 46.500 46.500 44.972 1.528 18131 218 1 3 . 1 1 26 26 SER C C 26 173.800 173.800 174.740 -0.940 18131 219 1 3 . 1 1 26 26 SER CA C 26 55.700 55.700 57.899 -2.199 18131 220 1 3 . 1 1 26 26 SER CB C 26 65.300 65.300 63.116 2.184 18131 221 1 3 . 1 1 27 27 ASN C C 27 174.300 174.300 176.180 -1.880 18131 222 1 3 . 1 1 27 27 ASN CA C 27 53.100 53.100 52.727 0.373 18131 223 1 3 . 1 1 27 27 ASN CB C 27 40.800 40.800 39.886 0.914 18131 224 1 3 . 1 1 28 28 LYS C C 28 175.300 175.300 177.369 -2.069 18131 225 1 3 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.808 -2.308 18131 226 1 3 . 1 1 28 28 LYS CB C 28 35.500 35.500 32.552 2.948 18131 227 1 3 . 1 1 29 29 GLY C C 29 171.700 171.700 172.960 -1.260 18131 228 1 3 . 1 1 29 29 GLY CA C 29 43.500 43.500 44.333 -0.833 18131 229 1 3 . 1 1 30 30 ALA C C 30 175.200 175.200 176.824 -1.624 18131 230 1 3 . 1 1 30 30 ALA CA C 30 49.800 49.800 51.459 -1.659 18131 231 1 3 . 1 1 30 30 ALA CB C 30 21.300 21.300 18.534 2.766 18131 232 1 3 . 1 1 31 31 ILE C C 31 173.600 173.600 175.039 -1.439 18131 233 1 3 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.162 0.638 18131 234 1 3 . 1 1 31 31 ILE CB C 31 39.900 39.900 40.441 -0.541 18131 235 1 3 . 1 1 32 32 ILE C C 32 175.700 175.700 176.046 -0.346 18131 236 1 3 . 1 1 32 32 ILE CA C 32 57.200 57.200 61.018 -3.818 18131 237 1 3 . 1 1 32 32 ILE CB C 32 42.200 42.200 38.312 3.888 18131 238 1 3 . 1 1 33 33 GLY C C 33 171.700 171.700 173.513 -1.813 18131 239 1 3 . 1 1 33 33 GLY CA C 33 48.100 48.100 45.045 3.054 18131 240 1 3 . 1 1 34 34 LEU C C 34 173.200 173.200 176.394 -3.194 18131 241 1 3 . 1 1 34 34 LEU CA C 34 54.200 54.200 53.804 0.396 18131 242 1 3 . 1 1 34 34 LEU CB C 34 45.800 45.800 45.150 0.650 18131 243 1 3 . 1 1 35 35 MET C C 35 172.900 172.900 175.195 -2.295 18131 244 1 3 . 1 1 35 35 MET CA C 35 54.100 54.100 54.842 -0.742 18131 245 1 3 . 1 1 35 35 MET CB C 35 36.400 36.400 33.254 3.146 18131 246 1 3 . 1 1 36 36 VAL C C 36 175.400 175.400 176.487 -1.087 18131 247 1 3 . 1 1 36 36 VAL CA C 36 58.900 58.900 62.045 -3.145 18131 248 1 3 . 1 1 36 36 VAL CB C 36 35.100 35.100 31.892 3.208 18131 249 1 3 . 1 1 37 37 GLY C C 37 172.300 172.300 174.807 -2.507 18131 250 1 3 . 1 1 37 37 GLY CA C 37 48.300 48.300 44.604 3.696 18131 251 1 3 . 1 1 38 38 GLY C C 38 171.300 171.300 174.535 -3.235 18131 252 1 3 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.325 -1.225 18131 253 1 3 . 1 1 39 39 VAL C C 39 173.500 173.500 176.687 -3.187 18131 254 1 3 . 1 1 39 39 VAL CA C 39 60.600 60.600 61.157 -0.557 18131 255 1 3 . 1 1 39 39 VAL CB C 39 34.100 34.100 33.986 0.114 18131 256 1 4 . 1 1 10 10 TYR C C 10 173.700 173.700 175.453 -1.753 18131 257 1 4 . 1 1 10 10 TYR CA C 10 54.200 54.200 57.749 -3.549 18131 258 1 4 . 1 1 10 10 TYR CB C 10 37.700 37.700 39.357 -1.657 18131 259 1 4 . 1 1 11 11 GLU C C 11 173.200 173.200 174.997 -1.797 18131 260 1 4 . 1 1 11 11 GLU CA C 11 54.500 54.500 55.839 -1.339 18131 261 1 4 . 1 1 11 11 GLU CB C 11 31.400 31.400 31.731 -0.331 18131 262 1 4 . 1 1 12 12 VAL C C 12 174.100 174.100 174.913 -0.813 18131 263 1 4 . 1 1 12 12 VAL CA C 12 61.000 61.000 61.777 -0.777 18131 264 1 4 . 1 1 12 12 VAL CB C 12 35.400 35.400 32.712 2.688 18131 265 1 4 . 1 1 13 13 HIS C C 13 172.900 172.900 174.678 -1.778 18131 266 1 4 . 1 1 13 13 HIS CA C 13 54.200 54.200 54.737 -0.537 18131 267 1 4 . 1 1 13 13 HIS CB C 13 31.200 31.200 32.436 -1.236 18131 268 1 4 . 1 1 14 14 HIS C C 14 171.900 171.900 174.019 -2.119 18131 269 1 4 . 1 1 14 14 HIS CA C 14 53.700 53.700 55.572 -1.872 18131 270 1 4 . 1 1 14 14 HIS CB C 14 35.400 35.400 31.535 3.865 18131 271 1 4 . 1 1 15 15 GLN C C 15 173.400 173.400 174.395 -0.995 18131 272 1 4 . 1 1 15 15 GLN CA C 15 54.600 54.600 55.152 -0.552 18131 273 1 4 . 1 1 15 15 GLN CB C 15 33.700 33.700 31.891 1.809 18131 274 1 4 . 1 1 16 16 LYS C C 16 173.500 173.500 176.056 -2.556 18131 275 1 4 . 1 1 16 16 LYS CA C 16 54.300 54.300 56.148 -1.848 18131 276 1 4 . 1 1 16 16 LYS CB C 16 36.200 36.200 32.963 3.237 18131 277 1 4 . 1 1 17 17 LEU C C 17 174.700 174.700 175.919 -1.219 18131 278 1 4 . 1 1 17 17 LEU CA C 17 53.900 53.900 54.257 -0.356 18131 279 1 4 . 1 1 17 17 LEU CB C 17 44.900 44.900 42.853 2.047 18131 280 1 4 . 1 1 18 18 VAL C C 18 174.100 174.100 174.626 -0.526 18131 281 1 4 . 1 1 18 18 VAL CA C 18 60.600 60.600 61.684 -1.085 18131 282 1 4 . 1 1 18 18 VAL CB C 18 35.300 35.300 33.483 1.817 18131 283 1 4 . 1 1 19 19 PHE C C 19 172.700 172.700 175.102 -2.402 18131 284 1 4 . 1 1 19 19 PHE CA C 19 56.100 56.100 57.680 -1.580 18131 285 1 4 . 1 1 19 19 PHE CB C 19 42.200 42.200 41.188 1.012 18131 286 1 4 . 1 1 20 20 PHE C C 20 172.300 172.300 175.268 -2.968 18131 287 1 4 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.715 -1.715 18131 288 1 4 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.498 2.402 18131 289 1 4 . 1 1 21 21 ALA C C 21 175.100 175.100 176.905 -1.805 18131 290 1 4 . 1 1 21 21 ALA CA C 21 49.700 49.700 51.685 -1.985 18131 291 1 4 . 1 1 21 21 ALA CB C 21 22.100 22.100 20.408 1.692 18131 292 1 4 . 1 1 22 22 GLU C C 22 176.000 176.000 176.161 -0.161 18131 293 1 4 . 1 1 22 22 GLU CA C 22 54.400 54.400 55.868 -1.468 18131 294 1 4 . 1 1 22 22 GLU CB C 22 33.900 33.900 30.462 3.438 18131 295 1 4 . 1 1 23 23 ASP C C 23 174.400 174.400 176.288 -1.888 18131 296 1 4 . 1 1 23 23 ASP CA C 23 56.500 56.500 55.892 0.608 18131 297 1 4 . 1 1 23 23 ASP CB C 23 39.100 39.100 40.978 -1.878 18131 298 1 4 . 1 1 24 24 VAL C C 24 176.800 176.800 176.282 0.518 18131 299 1 4 . 1 1 24 24 VAL CA C 24 60.100 60.100 63.365 -3.265 18131 300 1 4 . 1 1 24 24 VAL CB C 24 32.700 32.700 31.155 1.544 18131 301 1 4 . 1 1 25 25 GLY C C 25 171.500 171.500 174.337 -2.837 18131 302 1 4 . 1 1 25 25 GLY CA C 25 46.500 46.500 44.922 1.578 18131 303 1 4 . 1 1 26 26 SER C C 26 173.800 173.800 174.378 -0.578 18131 304 1 4 . 1 1 26 26 SER CA C 26 55.700 55.700 58.358 -2.658 18131 305 1 4 . 1 1 26 26 SER CB C 26 65.300 65.300 64.053 1.247 18131 306 1 4 . 1 1 27 27 ASN C C 27 174.300 174.300 175.618 -1.318 18131 307 1 4 . 1 1 27 27 ASN CA C 27 53.100 53.100 52.567 0.533 18131 308 1 4 . 1 1 27 27 ASN CB C 27 40.800 40.800 40.026 0.774 18131 309 1 4 . 1 1 28 28 LYS C C 28 175.300 175.300 177.219 -1.919 18131 310 1 4 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.805 -2.305 18131 311 1 4 . 1 1 28 28 LYS CB C 28 35.500 35.500 32.498 3.002 18131 312 1 4 . 1 1 29 29 GLY C C 29 171.700 171.700 172.927 -1.227 18131 313 1 4 . 1 1 29 29 GLY CA C 29 43.500 43.500 44.155 -0.655 18131 314 1 4 . 1 1 30 30 ALA C C 30 175.200 175.200 176.764 -1.564 18131 315 1 4 . 1 1 30 30 ALA CA C 30 49.800 49.800 51.445 -1.645 18131 316 1 4 . 1 1 30 30 ALA CB C 30 21.300 21.300 19.580 1.720 18131 317 1 4 . 1 1 31 31 ILE C C 31 173.600 173.600 174.920 -1.320 18131 318 1 4 . 1 1 31 31 ILE CA C 31 60.800 60.800 59.958 0.842 18131 319 1 4 . 1 1 31 31 ILE CB C 31 39.900 39.900 40.333 -0.433 18131 320 1 4 . 1 1 32 32 ILE C C 32 175.700 175.700 175.933 -0.233 18131 321 1 4 . 1 1 32 32 ILE CA C 32 57.200 57.200 61.086 -3.885 18131 322 1 4 . 1 1 32 32 ILE CB C 32 42.200 42.200 38.073 4.127 18131 323 1 4 . 1 1 33 33 GLY C C 33 171.700 171.700 173.583 -1.883 18131 324 1 4 . 1 1 33 33 GLY CA C 33 48.100 48.100 44.917 3.183 18131 325 1 4 . 1 1 34 34 LEU C C 34 173.200 173.200 176.157 -2.957 18131 326 1 4 . 1 1 34 34 LEU CA C 34 54.200 54.200 54.335 -0.135 18131 327 1 4 . 1 1 34 34 LEU CB C 34 45.800 45.800 44.960 0.840 18131 328 1 4 . 1 1 35 35 MET C C 35 172.900 172.900 175.043 -2.143 18131 329 1 4 . 1 1 35 35 MET CA C 35 54.100 54.100 55.014 -0.914 18131 330 1 4 . 1 1 35 35 MET CB C 35 36.400 36.400 32.959 3.441 18131 331 1 4 . 1 1 36 36 VAL C C 36 175.400 175.400 175.730 -0.330 18131 332 1 4 . 1 1 36 36 VAL CA C 36 58.900 58.900 62.281 -3.381 18131 333 1 4 . 1 1 36 36 VAL CB C 36 35.100 35.100 31.009 4.090 18131 334 1 4 . 1 1 37 37 GLY C C 37 172.300 172.300 174.401 -2.101 18131 335 1 4 . 1 1 37 37 GLY CA C 37 48.300 48.300 45.531 2.769 18131 336 1 4 . 1 1 38 38 GLY C C 38 171.300 171.300 174.069 -2.769 18131 337 1 4 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.060 -0.960 18131 338 1 4 . 1 1 39 39 VAL C C 39 173.500 173.500 176.016 -2.516 18131 339 1 4 . 1 1 39 39 VAL CA C 39 60.600 60.600 60.408 0.191 18131 340 1 4 . 1 1 39 39 VAL CB C 39 34.100 34.100 33.253 0.847 18131 341 1 5 . 1 1 10 10 TYR C C 10 173.700 173.700 175.816 -2.116 18131 342 1 5 . 1 1 10 10 TYR CA C 10 54.200 54.200 57.633 -3.433 18131 343 1 5 . 1 1 10 10 TYR CB C 10 37.700 37.700 39.529 -1.829 18131 344 1 5 . 1 1 11 11 GLU C C 11 173.200 173.200 175.223 -2.023 18131 345 1 5 . 1 1 11 11 GLU CA C 11 54.500 54.500 55.782 -1.282 18131 346 1 5 . 1 1 11 11 GLU CB C 11 31.400 31.400 32.313 -0.913 18131 347 1 5 . 1 1 12 12 VAL C C 12 174.100 174.100 175.266 -1.166 18131 348 1 5 . 1 1 12 12 VAL CA C 12 61.000 61.000 62.109 -1.109 18131 349 1 5 . 1 1 12 12 VAL CB C 12 35.400 35.400 33.001 2.399 18131 350 1 5 . 1 1 13 13 HIS C C 13 172.900 172.900 174.359 -1.459 18131 351 1 5 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.231 -1.031 18131 352 1 5 . 1 1 13 13 HIS CB C 13 31.200 31.200 31.281 -0.081 18131 353 1 5 . 1 1 14 14 HIS C C 14 171.900 171.900 174.507 -2.607 18131 354 1 5 . 1 1 14 14 HIS CA C 14 53.700 53.700 55.700 -2.000 18131 355 1 5 . 1 1 14 14 HIS CB C 14 35.400 35.400 30.779 4.620 18131 356 1 5 . 1 1 15 15 GLN C C 15 173.400 173.400 174.384 -0.984 18131 357 1 5 . 1 1 15 15 GLN CA C 15 54.600 54.600 55.161 -0.561 18131 358 1 5 . 1 1 15 15 GLN CB C 15 33.700 33.700 30.986 2.713 18131 359 1 5 . 1 1 16 16 LYS C C 16 173.500 173.500 176.293 -2.793 18131 360 1 5 . 1 1 16 16 LYS CA C 16 54.300 54.300 56.067 -1.767 18131 361 1 5 . 1 1 16 16 LYS CB C 16 36.200 36.200 32.821 3.380 18131 362 1 5 . 1 1 17 17 LEU C C 17 174.700 174.700 175.945 -1.245 18131 363 1 5 . 1 1 17 17 LEU CA C 17 53.900 53.900 54.328 -0.428 18131 364 1 5 . 1 1 17 17 LEU CB C 17 44.900 44.900 43.012 1.888 18131 365 1 5 . 1 1 18 18 VAL C C 18 174.100 174.100 174.720 -0.620 18131 366 1 5 . 1 1 18 18 VAL CA C 18 60.600 60.600 61.828 -1.228 18131 367 1 5 . 1 1 18 18 VAL CB C 18 35.300 35.300 33.624 1.676 18131 368 1 5 . 1 1 19 19 PHE C C 19 172.700 172.700 175.028 -2.328 18131 369 1 5 . 1 1 19 19 PHE CA C 19 56.100 56.100 57.549 -1.449 18131 370 1 5 . 1 1 19 19 PHE CB C 19 42.200 42.200 41.026 1.174 18131 371 1 5 . 1 1 20 20 PHE C C 20 172.300 172.300 174.307 -2.007 18131 372 1 5 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.230 -1.230 18131 373 1 5 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.550 2.350 18131 374 1 5 . 1 1 21 21 ALA C C 21 175.100 175.100 176.432 -1.332 18131 375 1 5 . 1 1 21 21 ALA CA C 21 49.700 49.700 51.738 -2.038 18131 376 1 5 . 1 1 21 21 ALA CB C 21 22.100 22.100 19.733 2.367 18131 377 1 5 . 1 1 22 22 GLU C C 22 176.000 176.000 175.745 0.255 18131 378 1 5 . 1 1 22 22 GLU CA C 22 54.400 54.400 56.758 -2.358 18131 379 1 5 . 1 1 22 22 GLU CB C 22 33.900 33.900 31.927 1.974 18131 380 1 5 . 1 1 23 23 ASP C C 23 174.400 174.400 175.688 -1.288 18131 381 1 5 . 1 1 23 23 ASP CA C 23 56.500 56.500 54.581 1.919 18131 382 1 5 . 1 1 23 23 ASP CB C 23 39.100 39.100 40.543 -1.443 18131 383 1 5 . 1 1 24 24 VAL C C 24 176.800 176.800 176.545 0.255 18131 384 1 5 . 1 1 24 24 VAL CA C 24 60.100 60.100 61.174 -1.074 18131 385 1 5 . 1 1 24 24 VAL CB C 24 32.700 32.700 32.813 -0.113 18131 386 1 5 . 1 1 25 25 GLY C C 25 171.500 171.500 175.000 -3.500 18131 387 1 5 . 1 1 25 25 GLY CA C 25 46.500 46.500 46.214 0.286 18131 388 1 5 . 1 1 26 26 SER C C 26 173.800 173.800 173.773 0.027 18131 389 1 5 . 1 1 26 26 SER CA C 26 55.700 55.700 57.821 -2.121 18131 390 1 5 . 1 1 26 26 SER CB C 26 65.300 65.300 64.458 0.842 18131 391 1 5 . 1 1 27 27 ASN C C 27 174.300 174.300 176.057 -1.757 18131 392 1 5 . 1 1 27 27 ASN CA C 27 53.100 53.100 54.150 -1.050 18131 393 1 5 . 1 1 27 27 ASN CB C 27 40.800 40.800 39.202 1.598 18131 394 1 5 . 1 1 28 28 LYS C C 28 175.300 175.300 176.267 -0.967 18131 395 1 5 . 1 1 28 28 LYS CA C 28 55.500 55.500 56.388 -0.888 18131 396 1 5 . 1 1 28 28 LYS CB C 28 35.500 35.500 31.267 4.233 18131 397 1 5 . 1 1 29 29 GLY C C 29 171.700 171.700 174.454 -2.754 18131 398 1 5 . 1 1 29 29 GLY CA C 29 43.500 43.500 44.762 -1.262 18131 399 1 5 . 1 1 30 30 ALA C C 30 175.200 175.200 176.533 -1.333 18131 400 1 5 . 1 1 30 30 ALA CA C 30 49.800 49.800 51.876 -2.076 18131 401 1 5 . 1 1 30 30 ALA CB C 30 21.300 21.300 18.052 3.248 18131 402 1 5 . 1 1 31 31 ILE C C 31 173.600 173.600 175.421 -1.821 18131 403 1 5 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.973 -0.173 18131 404 1 5 . 1 1 31 31 ILE CB C 31 39.900 39.900 40.970 -1.070 18131 405 1 5 . 1 1 32 32 ILE C C 32 175.700 175.700 175.792 -0.092 18131 406 1 5 . 1 1 32 32 ILE CA C 32 57.200 57.200 60.944 -3.744 18131 407 1 5 . 1 1 32 32 ILE CB C 32 42.200 42.200 38.914 3.286 18131 408 1 5 . 1 1 33 33 GLY C C 33 171.700 171.700 173.429 -1.729 18131 409 1 5 . 1 1 33 33 GLY CA C 33 48.100 48.100 44.992 3.108 18131 410 1 5 . 1 1 34 34 LEU C C 34 173.200 173.200 176.053 -2.853 18131 411 1 5 . 1 1 34 34 LEU CA C 34 54.200 54.200 55.083 -0.883 18131 412 1 5 . 1 1 34 34 LEU CB C 34 45.800 45.800 44.708 1.092 18131 413 1 5 . 1 1 35 35 MET C C 35 172.900 172.900 175.746 -2.846 18131 414 1 5 . 1 1 35 35 MET CA C 35 54.100 54.100 54.524 -0.424 18131 415 1 5 . 1 1 35 35 MET CB C 35 36.400 36.400 32.122 4.278 18131 416 1 5 . 1 1 36 36 VAL C C 36 175.400 175.400 176.778 -1.378 18131 417 1 5 . 1 1 36 36 VAL CA C 36 58.900 58.900 61.999 -3.099 18131 418 1 5 . 1 1 36 36 VAL CB C 36 35.100 35.100 32.438 2.662 18131 419 1 5 . 1 1 37 37 GLY C C 37 172.300 172.300 175.377 -3.077 18131 420 1 5 . 1 1 37 37 GLY CA C 37 48.300 48.300 45.351 2.949 18131 421 1 5 . 1 1 38 38 GLY C C 38 171.300 171.300 175.015 -3.715 18131 422 1 5 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.913 -0.813 18131 423 1 5 . 1 1 39 39 VAL C C 39 173.500 173.500 177.319 -3.819 18131 424 1 5 . 1 1 39 39 VAL CA C 39 60.600 60.600 61.414 -0.814 18131 425 1 5 . 1 1 39 39 VAL CB C 39 34.100 34.100 31.825 2.275 18131 426 1 6 . 1 1 10 10 TYR C C 10 173.700 173.700 174.958 -1.258 18131 427 1 6 . 1 1 10 10 TYR CA C 10 54.200 54.200 57.784 -3.584 18131 428 1 6 . 1 1 10 10 TYR CB C 10 37.700 37.700 39.138 -1.438 18131 429 1 6 . 1 1 11 11 GLU C C 11 173.200 173.200 174.490 -1.290 18131 430 1 6 . 1 1 11 11 GLU CA C 11 54.500 54.500 55.349 -0.849 18131 431 1 6 . 1 1 11 11 GLU CB C 11 31.400 31.400 32.395 -0.995 18131 432 1 6 . 1 1 12 12 VAL C C 12 174.100 174.100 175.517 -1.417 18131 433 1 6 . 1 1 12 12 VAL CA C 12 61.000 61.000 61.877 -0.877 18131 434 1 6 . 1 1 12 12 VAL CB C 12 35.400 35.400 33.000 2.400 18131 435 1 6 . 1 1 13 13 HIS C C 13 172.900 172.900 174.839 -1.939 18131 436 1 6 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.650 -1.450 18131 437 1 6 . 1 1 13 13 HIS CB C 13 31.200 31.200 30.877 0.323 18131 438 1 6 . 1 1 14 14 HIS C C 14 171.900 171.900 174.596 -2.696 18131 439 1 6 . 1 1 14 14 HIS CA C 14 53.700 53.700 55.463 -1.763 18131 440 1 6 . 1 1 14 14 HIS CB C 14 35.400 35.400 30.636 4.764 18131 441 1 6 . 1 1 15 15 GLN C C 15 173.400 173.400 174.298 -0.898 18131 442 1 6 . 1 1 15 15 GLN CA C 15 54.600 54.600 54.849 -0.249 18131 443 1 6 . 1 1 15 15 GLN CB C 15 33.700 33.700 31.359 2.341 18131 444 1 6 . 1 1 16 16 LYS C C 16 173.500 173.500 175.807 -2.307 18131 445 1 6 . 1 1 16 16 LYS CA C 16 54.300 54.300 56.175 -1.875 18131 446 1 6 . 1 1 16 16 LYS CB C 16 36.200 36.200 32.947 3.252 18131 447 1 6 . 1 1 17 17 LEU C C 17 174.700 174.700 176.063 -1.363 18131 448 1 6 . 1 1 17 17 LEU CA C 17 53.900 53.900 54.550 -0.650 18131 449 1 6 . 1 1 17 17 LEU CB C 17 44.900 44.900 42.792 2.108 18131 450 1 6 . 1 1 18 18 VAL C C 18 174.100 174.100 175.152 -1.052 18131 451 1 6 . 1 1 18 18 VAL CA C 18 60.600 60.600 62.074 -1.474 18131 452 1 6 . 1 1 18 18 VAL CB C 18 35.300 35.300 33.458 1.842 18131 453 1 6 . 1 1 19 19 PHE C C 19 172.700 172.700 174.505 -1.805 18131 454 1 6 . 1 1 19 19 PHE CA C 19 56.100 56.100 57.953 -1.853 18131 455 1 6 . 1 1 19 19 PHE CB C 19 42.200 42.200 41.261 0.939 18131 456 1 6 . 1 1 20 20 PHE C C 20 172.300 172.300 173.362 -1.062 18131 457 1 6 . 1 1 20 20 PHE CA C 20 56.000 56.000 56.660 -0.660 18131 458 1 6 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.284 2.616 18131 459 1 6 . 1 1 21 21 ALA C C 21 175.100 175.100 176.307 -1.207 18131 460 1 6 . 1 1 21 21 ALA CA C 21 49.700 49.700 51.727 -2.027 18131 461 1 6 . 1 1 21 21 ALA CB C 21 22.100 22.100 19.712 2.388 18131 462 1 6 . 1 1 22 22 GLU C C 22 176.000 176.000 174.791 1.209 18131 463 1 6 . 1 1 22 22 GLU CA C 22 54.400 54.400 55.824 -1.424 18131 464 1 6 . 1 1 22 22 GLU CB C 22 33.900 33.900 32.703 1.198 18131 465 1 6 . 1 1 23 23 ASP C C 23 174.400 174.400 175.280 -0.880 18131 466 1 6 . 1 1 23 23 ASP CA C 23 56.500 56.500 54.733 1.767 18131 467 1 6 . 1 1 23 23 ASP CB C 23 39.100 39.100 39.648 -0.548 18131 468 1 6 . 1 1 24 24 VAL C C 24 176.800 176.800 176.842 -0.042 18131 469 1 6 . 1 1 24 24 VAL CA C 24 60.100 60.100 61.933 -1.833 18131 470 1 6 . 1 1 24 24 VAL CB C 24 32.700 32.700 32.551 0.149 18131 471 1 6 . 1 1 25 25 GLY C C 25 171.500 171.500 174.335 -2.835 18131 472 1 6 . 1 1 25 25 GLY CA C 25 46.500 46.500 45.675 0.825 18131 473 1 6 . 1 1 26 26 SER C C 26 173.800 173.800 173.399 0.401 18131 474 1 6 . 1 1 26 26 SER CA C 26 55.700 55.700 57.247 -1.547 18131 475 1 6 . 1 1 26 26 SER CB C 26 65.300 65.300 63.999 1.301 18131 476 1 6 . 1 1 27 27 ASN C C 27 174.300 174.300 174.831 -0.531 18131 477 1 6 . 1 1 27 27 ASN CA C 27 53.100 53.100 54.167 -1.067 18131 478 1 6 . 1 1 27 27 ASN CB C 27 40.800 40.800 39.015 1.785 18131 479 1 6 . 1 1 28 28 LYS C C 28 175.300 175.300 176.345 -1.045 18131 480 1 6 . 1 1 28 28 LYS CA C 28 55.500 55.500 56.246 -0.746 18131 481 1 6 . 1 1 28 28 LYS CB C 28 35.500 35.500 34.181 1.319 18131 482 1 6 . 1 1 29 29 GLY C C 29 171.700 171.700 173.440 -1.740 18131 483 1 6 . 1 1 29 29 GLY CA C 29 43.500 43.500 45.985 -2.485 18131 484 1 6 . 1 1 30 30 ALA C C 30 175.200 175.200 176.268 -1.068 18131 485 1 6 . 1 1 30 30 ALA CA C 30 49.800 49.800 52.629 -2.829 18131 486 1 6 . 1 1 30 30 ALA CB C 30 21.300 21.300 19.934 1.366 18131 487 1 6 . 1 1 31 31 ILE C C 31 173.600 173.600 175.109 -1.509 18131 488 1 6 . 1 1 31 31 ILE CA C 31 60.800 60.800 61.498 -0.698 18131 489 1 6 . 1 1 31 31 ILE CB C 31 39.900 39.900 39.883 0.017 18131 490 1 6 . 1 1 32 32 ILE C C 32 175.700 175.700 176.129 -0.429 18131 491 1 6 . 1 1 32 32 ILE CA C 32 57.200 57.200 61.028 -3.828 18131 492 1 6 . 1 1 32 32 ILE CB C 32 42.200 42.200 38.479 3.721 18131 493 1 6 . 1 1 33 33 GLY C C 33 171.700 171.700 173.606 -1.906 18131 494 1 6 . 1 1 33 33 GLY CA C 33 48.100 48.100 44.932 3.168 18131 495 1 6 . 1 1 34 34 LEU C C 34 173.200 173.200 176.224 -3.024 18131 496 1 6 . 1 1 34 34 LEU CA C 34 54.200 54.200 54.213 -0.013 18131 497 1 6 . 1 1 34 34 LEU CB C 34 45.800 45.800 44.793 1.007 18131 498 1 6 . 1 1 35 35 MET C C 35 172.900 172.900 174.742 -1.842 18131 499 1 6 . 1 1 35 35 MET CA C 35 54.100 54.100 54.923 -0.823 18131 500 1 6 . 1 1 35 35 MET CB C 35 36.400 36.400 32.616 3.784 18131 501 1 6 . 1 1 36 36 VAL C C 36 175.400 175.400 176.738 -1.338 18131 502 1 6 . 1 1 36 36 VAL CA C 36 58.900 58.900 61.826 -2.926 18131 503 1 6 . 1 1 36 36 VAL CB C 36 35.100 35.100 32.425 2.675 18131 504 1 6 . 1 1 37 37 GLY C C 37 172.300 172.300 174.762 -2.462 18131 505 1 6 . 1 1 37 37 GLY CA C 37 48.300 48.300 44.604 3.696 18131 506 1 6 . 1 1 38 38 GLY C C 38 171.300 171.300 175.024 -3.724 18131 507 1 6 . 1 1 38 38 GLY CA C 38 44.100 44.100 46.075 -1.975 18131 508 1 6 . 1 1 39 39 VAL C C 39 173.500 173.500 176.696 -3.196 18131 509 1 6 . 1 1 39 39 VAL CA C 39 60.600 60.600 61.192 -0.592 18131 510 1 6 . 1 1 39 39 VAL CB C 39 34.100 34.100 33.528 0.572 18131 511 1 7 . 1 1 10 10 TYR C C 10 173.700 173.700 175.122 -1.422 18131 512 1 7 . 1 1 10 10 TYR CA C 10 54.200 54.200 57.323 -3.123 18131 513 1 7 . 1 1 10 10 TYR CB C 10 37.700 37.700 39.803 -2.103 18131 514 1 7 . 1 1 11 11 GLU C C 11 173.200 173.200 175.891 -2.691 18131 515 1 7 . 1 1 11 11 GLU CA C 11 54.500 54.500 56.125 -1.625 18131 516 1 7 . 1 1 11 11 GLU CB C 11 31.400 31.400 30.466 0.934 18131 517 1 7 . 1 1 12 12 VAL C C 12 174.100 174.100 175.273 -1.173 18131 518 1 7 . 1 1 12 12 VAL CA C 12 61.000 61.000 61.785 -0.785 18131 519 1 7 . 1 1 12 12 VAL CB C 12 35.400 35.400 32.858 2.542 18131 520 1 7 . 1 1 13 13 HIS C C 13 172.900 172.900 174.217 -1.317 18131 521 1 7 . 1 1 13 13 HIS CA C 13 54.200 54.200 56.229 -2.029 18131 522 1 7 . 1 1 13 13 HIS CB C 13 31.200 31.200 32.035 -0.835 18131 523 1 7 . 1 1 14 14 HIS C C 14 171.900 171.900 173.721 -1.821 18131 524 1 7 . 1 1 14 14 HIS CA C 14 53.700 53.700 55.773 -2.074 18131 525 1 7 . 1 1 14 14 HIS CB C 14 35.400 35.400 30.358 5.042 18131 526 1 7 . 1 1 15 15 GLN C C 15 173.400 173.400 173.601 -0.201 18131 527 1 7 . 1 1 15 15 GLN CA C 15 54.600 54.600 54.541 0.059 18131 528 1 7 . 1 1 15 15 GLN CB C 15 33.700 33.700 32.367 1.333 18131 529 1 7 . 1 1 16 16 LYS C C 16 173.500 173.500 175.882 -2.382 18131 530 1 7 . 1 1 16 16 LYS CA C 16 54.300 54.300 56.361 -2.061 18131 531 1 7 . 1 1 16 16 LYS CB C 16 36.200 36.200 32.938 3.262 18131 532 1 7 . 1 1 17 17 LEU C C 17 174.700 174.700 176.260 -1.560 18131 533 1 7 . 1 1 17 17 LEU CA C 17 53.900 53.900 54.355 -0.455 18131 534 1 7 . 1 1 17 17 LEU CB C 17 44.900 44.900 42.994 1.906 18131 535 1 7 . 1 1 18 18 VAL C C 18 174.100 174.100 175.127 -1.027 18131 536 1 7 . 1 1 18 18 VAL CA C 18 60.600 60.600 62.045 -1.445 18131 537 1 7 . 1 1 18 18 VAL CB C 18 35.300 35.300 33.442 1.858 18131 538 1 7 . 1 1 19 19 PHE C C 19 172.700 172.700 174.445 -1.745 18131 539 1 7 . 1 1 19 19 PHE CA C 19 56.100 56.100 57.959 -1.859 18131 540 1 7 . 1 1 19 19 PHE CB C 19 42.200 42.200 41.763 0.437 18131 541 1 7 . 1 1 20 20 PHE C C 20 172.300 172.300 173.699 -1.399 18131 542 1 7 . 1 1 20 20 PHE CA C 20 56.000 56.000 56.660 -0.660 18131 543 1 7 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.690 2.211 18131 544 1 7 . 1 1 21 21 ALA C C 21 175.100 175.100 176.586 -1.486 18131 545 1 7 . 1 1 21 21 ALA CA C 21 49.700 49.700 51.607 -1.907 18131 546 1 7 . 1 1 21 21 ALA CB C 21 22.100 22.100 19.842 2.258 18131 547 1 7 . 1 1 22 22 GLU C C 22 176.000 176.000 175.275 0.725 18131 548 1 7 . 1 1 22 22 GLU CA C 22 54.400 54.400 56.190 -1.790 18131 549 1 7 . 1 1 22 22 GLU CB C 22 33.900 33.900 31.607 2.293 18131 550 1 7 . 1 1 23 23 ASP C C 23 174.400 174.400 175.665 -1.265 18131 551 1 7 . 1 1 23 23 ASP CA C 23 56.500 56.500 55.010 1.490 18131 552 1 7 . 1 1 23 23 ASP CB C 23 39.100 39.100 40.029 -0.929 18131 553 1 7 . 1 1 24 24 VAL C C 24 176.800 176.800 176.902 -0.102 18131 554 1 7 . 1 1 24 24 VAL CA C 24 60.100 60.100 62.499 -2.399 18131 555 1 7 . 1 1 24 24 VAL CB C 24 32.700 32.700 32.369 0.331 18131 556 1 7 . 1 1 25 25 GLY C C 25 171.500 171.500 173.499 -1.999 18131 557 1 7 . 1 1 25 25 GLY CA C 25 46.500 46.500 45.480 1.020 18131 558 1 7 . 1 1 26 26 SER C C 26 173.800 173.800 173.296 0.504 18131 559 1 7 . 1 1 26 26 SER CA C 26 55.700 55.700 57.493 -1.793 18131 560 1 7 . 1 1 26 26 SER CB C 26 65.300 65.300 63.603 1.697 18131 561 1 7 . 1 1 27 27 ASN C C 27 174.300 174.300 174.951 -0.651 18131 562 1 7 . 1 1 27 27 ASN CA C 27 53.100 53.100 54.310 -1.210 18131 563 1 7 . 1 1 27 27 ASN CB C 27 40.800 40.800 38.757 2.043 18131 564 1 7 . 1 1 28 28 LYS C C 28 175.300 175.300 177.788 -2.488 18131 565 1 7 . 1 1 28 28 LYS CA C 28 55.500 55.500 56.850 -1.350 18131 566 1 7 . 1 1 28 28 LYS CB C 28 35.500 35.500 33.045 2.455 18131 567 1 7 . 1 1 29 29 GLY C C 29 171.700 171.700 174.118 -2.418 18131 568 1 7 . 1 1 29 29 GLY CA C 29 43.500 43.500 45.011 -1.511 18131 569 1 7 . 1 1 30 30 ALA C C 30 175.200 175.200 175.563 -0.363 18131 570 1 7 . 1 1 30 30 ALA CA C 30 49.800 49.800 51.955 -2.155 18131 571 1 7 . 1 1 30 30 ALA CB C 30 21.300 21.300 19.715 1.585 18131 572 1 7 . 1 1 31 31 ILE C C 31 173.600 173.600 174.807 -1.207 18131 573 1 7 . 1 1 31 31 ILE CA C 31 60.800 60.800 61.478 -0.678 18131 574 1 7 . 1 1 31 31 ILE CB C 31 39.900 39.900 39.284 0.616 18131 575 1 7 . 1 1 32 32 ILE C C 32 175.700 175.700 175.958 -0.258 18131 576 1 7 . 1 1 32 32 ILE CA C 32 57.200 57.200 60.976 -3.776 18131 577 1 7 . 1 1 32 32 ILE CB C 32 42.200 42.200 38.652 3.548 18131 578 1 7 . 1 1 33 33 GLY C C 33 171.700 171.700 173.472 -1.772 18131 579 1 7 . 1 1 33 33 GLY CA C 33 48.100 48.100 45.163 2.937 18131 580 1 7 . 1 1 34 34 LEU C C 34 173.200 173.200 176.036 -2.836 18131 581 1 7 . 1 1 34 34 LEU CA C 34 54.200 54.200 53.974 0.226 18131 582 1 7 . 1 1 34 34 LEU CB C 34 45.800 45.800 44.915 0.885 18131 583 1 7 . 1 1 35 35 MET C C 35 172.900 172.900 175.064 -2.164 18131 584 1 7 . 1 1 35 35 MET CA C 35 54.100 54.100 55.043 -0.943 18131 585 1 7 . 1 1 35 35 MET CB C 35 36.400 36.400 33.383 3.017 18131 586 1 7 . 1 1 36 36 VAL C C 36 175.400 175.400 175.776 -0.376 18131 587 1 7 . 1 1 36 36 VAL CA C 36 58.900 58.900 62.090 -3.190 18131 588 1 7 . 1 1 36 36 VAL CB C 36 35.100 35.100 32.069 3.031 18131 589 1 7 . 1 1 37 37 GLY C C 37 172.300 172.300 174.780 -2.480 18131 590 1 7 . 1 1 37 37 GLY CA C 37 48.300 48.300 44.956 3.344 18131 591 1 7 . 1 1 38 38 GLY C C 38 171.300 171.300 174.306 -3.006 18131 592 1 7 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.653 -1.553 18131 593 1 7 . 1 1 39 39 VAL C C 39 173.500 173.500 176.346 -2.846 18131 594 1 7 . 1 1 39 39 VAL CA C 39 60.600 60.600 60.497 0.103 18131 595 1 7 . 1 1 39 39 VAL CB C 39 34.100 34.100 33.778 0.322 18131 596 1 8 . 1 1 10 10 TYR C C 10 173.700 173.700 175.160 -1.460 18131 597 1 8 . 1 1 10 10 TYR CA C 10 54.200 54.200 57.566 -3.366 18131 598 1 8 . 1 1 10 10 TYR CB C 10 37.700 37.700 39.663 -1.963 18131 599 1 8 . 1 1 11 11 GLU C C 11 173.200 173.200 175.112 -1.912 18131 600 1 8 . 1 1 11 11 GLU CA C 11 54.500 54.500 55.998 -1.498 18131 601 1 8 . 1 1 11 11 GLU CB C 11 31.400 31.400 31.339 0.061 18131 602 1 8 . 1 1 12 12 VAL C C 12 174.100 174.100 174.644 -0.544 18131 603 1 8 . 1 1 12 12 VAL CA C 12 61.000 61.000 60.535 0.465 18131 604 1 8 . 1 1 12 12 VAL CB C 12 35.400 35.400 33.460 1.940 18131 605 1 8 . 1 1 13 13 HIS C C 13 172.900 172.900 173.843 -0.943 18131 606 1 8 . 1 1 13 13 HIS CA C 13 54.200 54.200 56.397 -2.197 18131 607 1 8 . 1 1 13 13 HIS CB C 13 31.200 31.200 31.395 -0.195 18131 608 1 8 . 1 1 14 14 HIS C C 14 171.900 171.900 173.714 -1.814 18131 609 1 8 . 1 1 14 14 HIS CA C 14 53.700 53.700 56.008 -2.308 18131 610 1 8 . 1 1 14 14 HIS CB C 14 35.400 35.400 31.223 4.177 18131 611 1 8 . 1 1 15 15 GLN C C 15 173.400 173.400 173.752 -0.352 18131 612 1 8 . 1 1 15 15 GLN CA C 15 54.600 54.600 55.131 -0.531 18131 613 1 8 . 1 1 15 15 GLN CB C 15 33.700 33.700 31.502 2.198 18131 614 1 8 . 1 1 16 16 LYS C C 16 173.500 173.500 176.260 -2.760 18131 615 1 8 . 1 1 16 16 LYS CA C 16 54.300 54.300 56.039 -1.739 18131 616 1 8 . 1 1 16 16 LYS CB C 16 36.200 36.200 32.746 3.454 18131 617 1 8 . 1 1 17 17 LEU C C 17 174.700 174.700 175.720 -1.020 18131 618 1 8 . 1 1 17 17 LEU CA C 17 53.900 53.900 54.184 -0.284 18131 619 1 8 . 1 1 17 17 LEU CB C 17 44.900 44.900 43.166 1.734 18131 620 1 8 . 1 1 18 18 VAL C C 18 174.100 174.100 174.195 -0.095 18131 621 1 8 . 1 1 18 18 VAL CA C 18 60.600 60.600 61.532 -0.932 18131 622 1 8 . 1 1 18 18 VAL CB C 18 35.300 35.300 33.757 1.543 18131 623 1 8 . 1 1 19 19 PHE C C 19 172.700 172.700 174.822 -2.122 18131 624 1 8 . 1 1 19 19 PHE CA C 19 56.100 56.100 57.613 -1.513 18131 625 1 8 . 1 1 19 19 PHE CB C 19 42.200 42.200 41.479 0.721 18131 626 1 8 . 1 1 20 20 PHE C C 20 172.300 172.300 174.485 -2.185 18131 627 1 8 . 1 1 20 20 PHE CA C 20 56.000 56.000 56.940 -0.939 18131 628 1 8 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.303 2.596 18131 629 1 8 . 1 1 21 21 ALA C C 21 175.100 175.100 176.335 -1.235 18131 630 1 8 . 1 1 21 21 ALA CA C 21 49.700 49.700 51.731 -2.031 18131 631 1 8 . 1 1 21 21 ALA CB C 21 22.100 22.100 20.169 1.931 18131 632 1 8 . 1 1 22 22 GLU C C 22 176.000 176.000 175.506 0.494 18131 633 1 8 . 1 1 22 22 GLU CA C 22 54.400 54.400 55.587 -1.187 18131 634 1 8 . 1 1 22 22 GLU CB C 22 33.900 33.900 30.996 2.904 18131 635 1 8 . 1 1 23 23 ASP C C 23 174.400 174.400 175.640 -1.240 18131 636 1 8 . 1 1 23 23 ASP CA C 23 56.500 56.500 54.511 1.989 18131 637 1 8 . 1 1 23 23 ASP CB C 23 39.100 39.100 38.758 0.342 18131 638 1 8 . 1 1 24 24 VAL C C 24 176.800 176.800 176.441 0.359 18131 639 1 8 . 1 1 24 24 VAL CA C 24 60.100 60.100 61.888 -1.788 18131 640 1 8 . 1 1 24 24 VAL CB C 24 32.700 32.700 32.894 -0.194 18131 641 1 8 . 1 1 25 25 GLY C C 25 171.500 171.500 174.109 -2.609 18131 642 1 8 . 1 1 25 25 GLY CA C 25 46.500 46.500 45.363 1.137 18131 643 1 8 . 1 1 26 26 SER C C 26 173.800 173.800 174.084 -0.284 18131 644 1 8 . 1 1 26 26 SER CA C 26 55.700 55.700 57.514 -1.814 18131 645 1 8 . 1 1 26 26 SER CB C 26 65.300 65.300 63.556 1.744 18131 646 1 8 . 1 1 27 27 ASN C C 27 174.300 174.300 175.947 -1.647 18131 647 1 8 . 1 1 27 27 ASN CA C 27 53.100 53.100 52.400 0.700 18131 648 1 8 . 1 1 27 27 ASN CB C 27 40.800 40.800 38.954 1.846 18131 649 1 8 . 1 1 28 28 LYS C C 28 175.300 175.300 177.329 -2.029 18131 650 1 8 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.704 -2.204 18131 651 1 8 . 1 1 28 28 LYS CB C 28 35.500 35.500 32.349 3.151 18131 652 1 8 . 1 1 29 29 GLY C C 29 171.700 171.700 172.879 -1.179 18131 653 1 8 . 1 1 29 29 GLY CA C 29 43.500 43.500 44.171 -0.671 18131 654 1 8 . 1 1 30 30 ALA C C 30 175.200 175.200 176.653 -1.453 18131 655 1 8 . 1 1 30 30 ALA CA C 30 49.800 49.800 51.430 -1.630 18131 656 1 8 . 1 1 30 30 ALA CB C 30 21.300 21.300 20.730 0.570 18131 657 1 8 . 1 1 31 31 ILE C C 31 173.600 173.600 175.482 -1.882 18131 658 1 8 . 1 1 31 31 ILE CA C 31 60.800 60.800 61.061 -0.261 18131 659 1 8 . 1 1 31 31 ILE CB C 31 39.900 39.900 39.856 0.044 18131 660 1 8 . 1 1 32 32 ILE C C 32 175.700 175.700 176.220 -0.520 18131 661 1 8 . 1 1 32 32 ILE CA C 32 57.200 57.200 61.054 -3.854 18131 662 1 8 . 1 1 32 32 ILE CB C 32 42.200 42.200 38.198 4.002 18131 663 1 8 . 1 1 33 33 GLY C C 33 171.700 171.700 173.455 -1.755 18131 664 1 8 . 1 1 33 33 GLY CA C 33 48.100 48.100 44.831 3.269 18131 665 1 8 . 1 1 34 34 LEU C C 34 173.200 173.200 175.939 -2.739 18131 666 1 8 . 1 1 34 34 LEU CA C 34 54.200 54.200 54.767 -0.567 18131 667 1 8 . 1 1 34 34 LEU CB C 34 45.800 45.800 45.108 0.692 18131 668 1 8 . 1 1 35 35 MET C C 35 172.900 172.900 175.159 -2.259 18131 669 1 8 . 1 1 35 35 MET CA C 35 54.100 54.100 54.867 -0.768 18131 670 1 8 . 1 1 35 35 MET CB C 35 36.400 36.400 33.139 3.261 18131 671 1 8 . 1 1 36 36 VAL C C 36 175.400 175.400 175.887 -0.487 18131 672 1 8 . 1 1 36 36 VAL CA C 36 58.900 58.900 61.820 -2.920 18131 673 1 8 . 1 1 36 36 VAL CB C 36 35.100 35.100 31.895 3.205 18131 674 1 8 . 1 1 37 37 GLY C C 37 172.300 172.300 174.683 -2.383 18131 675 1 8 . 1 1 37 37 GLY CA C 37 48.300 48.300 44.603 3.697 18131 676 1 8 . 1 1 38 38 GLY C C 38 171.300 171.300 174.890 -3.590 18131 677 1 8 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.756 -1.656 18131 678 1 8 . 1 1 39 39 VAL C C 39 173.500 173.500 177.053 -3.553 18131 679 1 8 . 1 1 39 39 VAL CA C 39 60.600 60.600 60.994 -0.394 18131 680 1 8 . 1 1 39 39 VAL CB C 39 34.100 34.100 33.211 0.889 18131 681 1 9 . 1 1 10 10 TYR C C 10 173.700 173.700 175.327 -1.627 18131 682 1 9 . 1 1 10 10 TYR CA C 10 54.200 54.200 57.489 -3.289 18131 683 1 9 . 1 1 10 10 TYR CB C 10 37.700 37.700 40.001 -2.301 18131 684 1 9 . 1 1 11 11 GLU C C 11 173.200 173.200 175.334 -2.134 18131 685 1 9 . 1 1 11 11 GLU CA C 11 54.500 54.500 56.119 -1.619 18131 686 1 9 . 1 1 11 11 GLU CB C 11 31.400 31.400 31.584 -0.183 18131 687 1 9 . 1 1 12 12 VAL C C 12 174.100 174.100 175.193 -1.093 18131 688 1 9 . 1 1 12 12 VAL CA C 12 61.000 61.000 61.551 -0.551 18131 689 1 9 . 1 1 12 12 VAL CB C 12 35.400 35.400 33.884 1.516 18131 690 1 9 . 1 1 13 13 HIS C C 13 172.900 172.900 174.201 -1.301 18131 691 1 9 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.261 -1.061 18131 692 1 9 . 1 1 13 13 HIS CB C 13 31.200 31.200 30.634 0.566 18131 693 1 9 . 1 1 14 14 HIS C C 14 171.900 171.900 174.519 -2.619 18131 694 1 9 . 1 1 14 14 HIS CA C 14 53.700 53.700 55.094 -1.394 18131 695 1 9 . 1 1 14 14 HIS CB C 14 35.400 35.400 31.663 3.737 18131 696 1 9 . 1 1 15 15 GLN C C 15 173.400 173.400 174.738 -1.338 18131 697 1 9 . 1 1 15 15 GLN CA C 15 54.600 54.600 54.959 -0.359 18131 698 1 9 . 1 1 15 15 GLN CB C 15 33.700 33.700 30.899 2.801 18131 699 1 9 . 1 1 16 16 LYS C C 16 173.500 173.500 175.832 -2.332 18131 700 1 9 . 1 1 16 16 LYS CA C 16 54.300 54.300 55.825 -1.525 18131 701 1 9 . 1 1 16 16 LYS CB C 16 36.200 36.200 32.979 3.221 18131 702 1 9 . 1 1 17 17 LEU C C 17 174.700 174.700 175.763 -1.063 18131 703 1 9 . 1 1 17 17 LEU CA C 17 53.900 53.900 54.228 -0.328 18131 704 1 9 . 1 1 17 17 LEU CB C 17 44.900 44.900 42.936 1.964 18131 705 1 9 . 1 1 18 18 VAL C C 18 174.100 174.100 174.698 -0.598 18131 706 1 9 . 1 1 18 18 VAL CA C 18 60.600 60.600 61.958 -1.357 18131 707 1 9 . 1 1 18 18 VAL CB C 18 35.300 35.300 34.063 1.237 18131 708 1 9 . 1 1 19 19 PHE C C 19 172.700 172.700 175.051 -2.351 18131 709 1 9 . 1 1 19 19 PHE CA C 19 56.100 56.100 57.690 -1.590 18131 710 1 9 . 1 1 19 19 PHE CB C 19 42.200 42.200 40.778 1.422 18131 711 1 9 . 1 1 20 20 PHE C C 20 172.300 172.300 174.255 -1.955 18131 712 1 9 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.907 -1.907 18131 713 1 9 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.940 1.960 18131 714 1 9 . 1 1 21 21 ALA C C 21 175.100 175.100 175.328 -0.228 18131 715 1 9 . 1 1 21 21 ALA CA C 21 49.700 49.700 51.442 -1.742 18131 716 1 9 . 1 1 21 21 ALA CB C 21 22.100 22.100 20.225 1.875 18131 717 1 9 . 1 1 22 22 GLU C C 22 176.000 176.000 175.737 0.263 18131 718 1 9 . 1 1 22 22 GLU CA C 22 54.400 54.400 56.518 -2.118 18131 719 1 9 . 1 1 22 22 GLU CB C 22 33.900 33.900 31.954 1.946 18131 720 1 9 . 1 1 23 23 ASP C C 23 174.400 174.400 175.851 -1.451 18131 721 1 9 . 1 1 23 23 ASP CA C 23 56.500 56.500 54.679 1.821 18131 722 1 9 . 1 1 23 23 ASP CB C 23 39.100 39.100 40.368 -1.268 18131 723 1 9 . 1 1 24 24 VAL C C 24 176.800 176.800 176.636 0.164 18131 724 1 9 . 1 1 24 24 VAL CA C 24 60.100 60.100 61.135 -1.035 18131 725 1 9 . 1 1 24 24 VAL CB C 24 32.700 32.700 33.002 -0.302 18131 726 1 9 . 1 1 25 25 GLY C C 25 171.500 171.500 174.769 -3.269 18131 727 1 9 . 1 1 25 25 GLY CA C 25 46.500 46.500 46.342 0.158 18131 728 1 9 . 1 1 26 26 SER C C 26 173.800 173.800 173.543 0.257 18131 729 1 9 . 1 1 26 26 SER CA C 26 55.700 55.700 57.666 -1.966 18131 730 1 9 . 1 1 26 26 SER CB C 26 65.300 65.300 64.495 0.805 18131 731 1 9 . 1 1 27 27 ASN C C 27 174.300 174.300 175.951 -1.651 18131 732 1 9 . 1 1 27 27 ASN CA C 27 53.100 53.100 54.007 -0.907 18131 733 1 9 . 1 1 27 27 ASN CB C 27 40.800 40.800 39.101 1.699 18131 734 1 9 . 1 1 28 28 LYS C C 28 175.300 175.300 175.860 -0.560 18131 735 1 9 . 1 1 28 28 LYS CA C 28 55.500 55.500 56.759 -1.259 18131 736 1 9 . 1 1 28 28 LYS CB C 28 35.500 35.500 31.110 4.390 18131 737 1 9 . 1 1 29 29 GLY C C 29 171.700 171.700 174.391 -2.691 18131 738 1 9 . 1 1 29 29 GLY CA C 29 43.500 43.500 44.555 -1.055 18131 739 1 9 . 1 1 30 30 ALA C C 30 175.200 175.200 176.620 -1.420 18131 740 1 9 . 1 1 30 30 ALA CA C 30 49.800 49.800 51.939 -2.139 18131 741 1 9 . 1 1 30 30 ALA CB C 30 21.300 21.300 17.650 3.650 18131 742 1 9 . 1 1 31 31 ILE C C 31 173.600 173.600 175.153 -1.553 18131 743 1 9 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.673 0.126 18131 744 1 9 . 1 1 31 31 ILE CB C 31 39.900 39.900 41.406 -1.506 18131 745 1 9 . 1 1 32 32 ILE C C 32 175.700 175.700 175.779 -0.079 18131 746 1 9 . 1 1 32 32 ILE CA C 32 57.200 57.200 60.947 -3.747 18131 747 1 9 . 1 1 32 32 ILE CB C 32 42.200 42.200 38.174 4.026 18131 748 1 9 . 1 1 33 33 GLY C C 33 171.700 171.700 173.559 -1.859 18131 749 1 9 . 1 1 33 33 GLY CA C 33 48.100 48.100 44.971 3.129 18131 750 1 9 . 1 1 34 34 LEU C C 34 173.200 173.200 176.466 -3.266 18131 751 1 9 . 1 1 34 34 LEU CA C 34 54.200 54.200 54.114 0.086 18131 752 1 9 . 1 1 34 34 LEU CB C 34 45.800 45.800 44.871 0.929 18131 753 1 9 . 1 1 35 35 MET C C 35 172.900 172.900 175.223 -2.323 18131 754 1 9 . 1 1 35 35 MET CA C 35 54.100 54.100 54.411 -0.312 18131 755 1 9 . 1 1 35 35 MET CB C 35 36.400 36.400 32.304 4.096 18131 756 1 9 . 1 1 36 36 VAL C C 36 175.400 175.400 176.330 -0.930 18131 757 1 9 . 1 1 36 36 VAL CA C 36 58.900 58.900 62.711 -3.811 18131 758 1 9 . 1 1 36 36 VAL CB C 36 35.100 35.100 31.765 3.335 18131 759 1 9 . 1 1 37 37 GLY C C 37 172.300 172.300 174.715 -2.415 18131 760 1 9 . 1 1 37 37 GLY CA C 37 48.300 48.300 45.202 3.098 18131 761 1 9 . 1 1 38 38 GLY C C 38 171.300 171.300 174.006 -2.706 18131 762 1 9 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.139 -1.039 18131 763 1 9 . 1 1 39 39 VAL C C 39 173.500 173.500 176.298 -2.798 18131 764 1 9 . 1 1 39 39 VAL CA C 39 60.600 60.600 61.045 -0.445 18131 765 1 9 . 1 1 39 39 VAL CB C 39 34.100 34.100 33.875 0.225 18131 766 1 10 . 1 1 10 10 TYR C C 10 173.700 173.700 175.912 -2.212 18131 767 1 10 . 1 1 10 10 TYR CA C 10 54.200 54.200 57.698 -3.498 18131 768 1 10 . 1 1 10 10 TYR CB C 10 37.700 37.700 39.458 -1.758 18131 769 1 10 . 1 1 11 11 GLU C C 11 173.200 173.200 175.104 -1.904 18131 770 1 10 . 1 1 11 11 GLU CA C 11 54.500 54.500 56.200 -1.700 18131 771 1 10 . 1 1 11 11 GLU CB C 11 31.400 31.400 31.652 -0.252 18131 772 1 10 . 1 1 12 12 VAL C C 12 174.100 174.100 174.356 -0.256 18131 773 1 10 . 1 1 12 12 VAL CA C 12 61.000 61.000 62.350 -1.350 18131 774 1 10 . 1 1 12 12 VAL CB C 12 35.400 35.400 32.505 2.895 18131 775 1 10 . 1 1 13 13 HIS C C 13 172.900 172.900 174.163 -1.263 18131 776 1 10 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.797 -1.597 18131 777 1 10 . 1 1 13 13 HIS CB C 13 31.200 31.200 32.140 -0.940 18131 778 1 10 . 1 1 14 14 HIS C C 14 171.900 171.900 174.714 -2.814 18131 779 1 10 . 1 1 14 14 HIS CA C 14 53.700 53.700 55.254 -1.554 18131 780 1 10 . 1 1 14 14 HIS CB C 14 35.400 35.400 31.185 4.215 18131 781 1 10 . 1 1 15 15 GLN C C 15 173.400 173.400 175.724 -2.324 18131 782 1 10 . 1 1 15 15 GLN CA C 15 54.600 54.600 55.335 -0.735 18131 783 1 10 . 1 1 15 15 GLN CB C 15 33.700 33.700 29.893 3.807 18131 784 1 10 . 1 1 16 16 LYS C C 16 173.500 173.500 175.128 -1.628 18131 785 1 10 . 1 1 16 16 LYS CA C 16 54.300 54.300 56.322 -2.022 18131 786 1 10 . 1 1 16 16 LYS CB C 16 36.200 36.200 33.078 3.122 18131 787 1 10 . 1 1 17 17 LEU C C 17 174.700 174.700 175.572 -0.872 18131 788 1 10 . 1 1 17 17 LEU CA C 17 53.900 53.900 54.490 -0.591 18131 789 1 10 . 1 1 17 17 LEU CB C 17 44.900 44.900 43.297 1.603 18131 790 1 10 . 1 1 18 18 VAL C C 18 174.100 174.100 174.510 -0.410 18131 791 1 10 . 1 1 18 18 VAL CA C 18 60.600 60.600 61.755 -1.155 18131 792 1 10 . 1 1 18 18 VAL CB C 18 35.300 35.300 34.046 1.254 18131 793 1 10 . 1 1 19 19 PHE C C 19 172.700 172.700 175.190 -2.490 18131 794 1 10 . 1 1 19 19 PHE CA C 19 56.100 56.100 57.452 -1.351 18131 795 1 10 . 1 1 19 19 PHE CB C 19 42.200 42.200 40.404 1.796 18131 796 1 10 . 1 1 20 20 PHE C C 20 172.300 172.300 175.336 -3.036 18131 797 1 10 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.619 -1.619 18131 798 1 10 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.156 2.744 18131 799 1 10 . 1 1 21 21 ALA C C 21 175.100 175.100 176.890 -1.790 18131 800 1 10 . 1 1 21 21 ALA CA C 21 49.700 49.700 51.613 -1.913 18131 801 1 10 . 1 1 21 21 ALA CB C 21 22.100 22.100 19.996 2.104 18131 802 1 10 . 1 1 22 22 GLU C C 22 176.000 176.000 176.840 -0.840 18131 803 1 10 . 1 1 22 22 GLU CA C 22 54.400 54.400 55.882 -1.482 18131 804 1 10 . 1 1 22 22 GLU CB C 22 33.900 33.900 30.221 3.679 18131 805 1 10 . 1 1 23 23 ASP C C 23 174.400 174.400 177.031 -2.631 18131 806 1 10 . 1 1 23 23 ASP CA C 23 56.500 56.500 56.387 0.113 18131 807 1 10 . 1 1 23 23 ASP CB C 23 39.100 39.100 40.885 -1.784 18131 808 1 10 . 1 1 24 24 VAL C C 24 176.800 176.800 176.630 0.170 18131 809 1 10 . 1 1 24 24 VAL CA C 24 60.100 60.100 63.738 -3.638 18131 810 1 10 . 1 1 24 24 VAL CB C 24 32.700 32.700 32.480 0.220 18131 811 1 10 . 1 1 25 25 GLY C C 25 171.500 171.500 174.144 -2.644 18131 812 1 10 . 1 1 25 25 GLY CA C 25 46.500 46.500 44.987 1.512 18131 813 1 10 . 1 1 26 26 SER C C 26 173.800 173.800 174.500 -0.700 18131 814 1 10 . 1 1 26 26 SER CA C 26 55.700 55.700 58.698 -2.998 18131 815 1 10 . 1 1 26 26 SER CB C 26 65.300 65.300 63.497 1.803 18131 816 1 10 . 1 1 27 27 ASN C C 27 174.300 174.300 176.235 -1.935 18131 817 1 10 . 1 1 27 27 ASN CA C 27 53.100 53.100 52.710 0.390 18131 818 1 10 . 1 1 27 27 ASN CB C 27 40.800 40.800 39.735 1.065 18131 819 1 10 . 1 1 28 28 LYS C C 28 175.300 175.300 177.460 -2.160 18131 820 1 10 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.964 -2.464 18131 821 1 10 . 1 1 28 28 LYS CB C 28 35.500 35.500 32.544 2.956 18131 822 1 10 . 1 1 29 29 GLY C C 29 171.700 171.700 172.792 -1.092 18131 823 1 10 . 1 1 29 29 GLY CA C 29 43.500 43.500 44.164 -0.664 18131 824 1 10 . 1 1 30 30 ALA C C 30 175.200 175.200 176.771 -1.571 18131 825 1 10 . 1 1 30 30 ALA CA C 30 49.800 49.800 51.568 -1.768 18131 826 1 10 . 1 1 30 30 ALA CB C 30 21.300 21.300 19.126 2.174 18131 827 1 10 . 1 1 31 31 ILE C C 31 173.600 173.600 174.998 -1.398 18131 828 1 10 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.139 0.661 18131 829 1 10 . 1 1 31 31 ILE CB C 31 39.900 39.900 40.372 -0.472 18131 830 1 10 . 1 1 32 32 ILE C C 32 175.700 175.700 176.143 -0.443 18131 831 1 10 . 1 1 32 32 ILE CA C 32 57.200 57.200 61.084 -3.884 18131 832 1 10 . 1 1 32 32 ILE CB C 32 42.200 42.200 38.418 3.782 18131 833 1 10 . 1 1 33 33 GLY C C 33 171.700 171.700 173.569 -1.869 18131 834 1 10 . 1 1 33 33 GLY CA C 33 48.100 48.100 44.904 3.196 18131 835 1 10 . 1 1 34 34 LEU C C 34 173.200 173.200 176.660 -3.460 18131 836 1 10 . 1 1 34 34 LEU CA C 34 54.200 54.200 54.182 0.018 18131 837 1 10 . 1 1 34 34 LEU CB C 34 45.800 45.800 44.901 0.899 18131 838 1 10 . 1 1 35 35 MET C C 35 172.900 172.900 175.066 -2.166 18131 839 1 10 . 1 1 35 35 MET CA C 35 54.100 54.100 54.329 -0.229 18131 840 1 10 . 1 1 35 35 MET CB C 35 36.400 36.400 31.753 4.647 18131 841 1 10 . 1 1 36 36 VAL C C 36 175.400 175.400 176.395 -0.995 18131 842 1 10 . 1 1 36 36 VAL CA C 36 58.900 58.900 62.142 -3.242 18131 843 1 10 . 1 1 36 36 VAL CB C 36 35.100 35.100 32.285 2.815 18131 844 1 10 . 1 1 37 37 GLY C C 37 172.300 172.300 174.917 -2.617 18131 845 1 10 . 1 1 37 37 GLY CA C 37 48.300 48.300 44.523 3.777 18131 846 1 10 . 1 1 38 38 GLY C C 38 171.300 171.300 175.008 -3.708 18131 847 1 10 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.172 -1.072 18131 848 1 10 . 1 1 39 39 VAL C C 39 173.500 173.500 176.525 -3.025 18131 849 1 10 . 1 1 39 39 VAL CA C 39 60.600 60.600 61.292 -0.692 18131 850 1 10 . 1 1 39 39 VAL CB C 39 34.100 34.100 33.424 0.676 18131 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 0 0.000 0.000 0.000 18131 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18131 3 1 1 "Average Difference" C 30 1.734 1.449 0.969 18131 4 1 1 "Average Difference" CA 30 1.956 0.984 1.720 18131 5 1 1 "Average Difference" CB 25 2.298 -1.458 1.812 18131 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18131 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18131 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18131 9 1 2 "Average Difference" C 30 1.975 1.668 1.074 18131 10 1 2 "Average Difference" CA 30 1.953 1.060 1.668 18131 11 1 2 "Average Difference" CB 25 2.200 -1.588 1.554 18131 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18131 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18131 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18131 15 1 3 "Average Difference" C 30 1.967 1.751 0.911 18131 16 1 3 "Average Difference" CA 30 1.935 0.926 1.728 18131 17 1 3 "Average Difference" CB 25 2.238 -1.638 1.556 18131 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18131 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18131 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18131 21 1 4 "Average Difference" C 30 1.831 1.599 0.908 18131 22 1 4 "Average Difference" CA 30 1.928 0.959 1.701 18131 23 1 4 "Average Difference" CB 25 2.337 -1.604 1.734 18131 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18131 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18131 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18131 27 1 5 "Average Difference" C 30 2.086 1.769 1.124 18131 28 1 5 "Average Difference" CA 30 1.823 1.002 1.548 18131 29 1 5 "Average Difference" CB 25 2.453 -1.704 1.800 18131 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18131 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18131 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18131 33 1 6 "Average Difference" C 30 1.805 1.475 1.058 18131 34 1 6 "Average Difference" CA 30 1.945 1.021 1.683 18131 35 1 6 "Average Difference" CB 25 2.153 -1.555 1.519 18131 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18131 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18131 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18131 39 1 7 "Average Difference" C 30 1.750 1.441 1.011 18131 40 1 7 "Average Difference" CA 30 1.908 1.040 1.627 18131 41 1 7 "Average Difference" CB 25 2.205 -1.589 1.559 18131 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18131 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18131 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18131 45 1 8 "Average Difference" C 30 1.825 1.507 1.047 18131 46 1 8 "Average Difference" CA 30 1.904 0.860 1.727 18131 47 1 8 "Average Difference" CB 25 2.207 -1.626 1.522 18131 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18131 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18131 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18131 51 1 9 "Average Difference" C 30 1.863 1.564 1.029 18131 52 1 9 "Average Difference" CA 30 1.831 0.938 1.600 18131 53 1 9 "Average Difference" CB 25 2.398 -1.594 1.829 18131 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18131 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18131 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18131 57 1 10 "Average Difference" C 30 2.049 1.803 0.991 18131 58 1 10 "Average Difference" CA 30 2.042 1.052 1.780 18131 59 1 10 "Average Difference" CB 25 2.479 -1.722 1.821 18131 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18131 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 18131 _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 10 173.700 173.700 175.429 -1.729 18131 2 1 . 1 1 10 10 TYR CA C 10 54.200 54.200 57.552 -3.352 18131 3 1 . 1 1 10 10 TYR CB C 10 37.700 37.700 39.566 -1.865 18131 4 1 . 1 1 11 11 GLU C C 11 173.200 173.200 175.139 -1.938 18131 5 1 . 1 1 11 11 GLU CA C 11 54.500 54.500 55.970 -1.470 18131 6 1 . 1 1 11 11 GLU CB C 11 31.400 31.400 31.328 0.072 18131 7 1 . 1 1 12 12 VAL C C 12 174.100 174.100 175.013 -0.913 18131 8 1 . 1 1 12 12 VAL CA C 12 61.000 61.000 61.608 -0.608 18131 9 1 . 1 1 12 12 VAL CB C 12 35.400 35.400 33.119 2.281 18131 10 1 . 1 1 13 13 HIS C C 13 172.900 172.900 174.258 -1.358 18131 11 1 . 1 1 13 13 HIS CA C 13 54.200 54.200 55.531 -1.331 18131 12 1 . 1 1 13 13 HIS CB C 13 31.200 31.200 31.370 -0.170 18131 13 1 . 1 1 14 14 HIS C C 14 171.900 171.900 174.247 -2.347 18131 14 1 . 1 1 14 14 HIS CA C 14 53.700 53.700 55.566 -1.866 18131 15 1 . 1 1 14 14 HIS CB C 14 35.400 35.400 31.138 4.262 18131 16 1 . 1 1 15 15 GLN C C 15 173.400 173.400 174.576 -1.176 18131 17 1 . 1 1 15 15 GLN CA C 15 54.600 54.600 55.052 -0.452 18131 18 1 . 1 1 15 15 GLN CB C 15 33.700 33.700 31.311 2.389 18131 19 1 . 1 1 16 16 LYS C C 16 173.500 173.500 175.900 -2.400 18131 20 1 . 1 1 16 16 LYS CA C 16 54.300 54.300 56.101 -1.801 18131 21 1 . 1 1 16 16 LYS CB C 16 36.200 36.200 32.907 3.293 18131 22 1 . 1 1 17 17 LEU C C 17 174.700 174.700 175.916 -1.216 18131 23 1 . 1 1 17 17 LEU CA C 17 53.900 53.900 54.375 -0.475 18131 24 1 . 1 1 17 17 LEU CB C 17 44.900 44.900 43.047 1.853 18131 25 1 . 1 1 18 18 VAL C C 18 174.100 174.100 174.805 -0.705 18131 26 1 . 1 1 18 18 VAL CA C 18 60.600 60.600 61.874 -1.274 18131 27 1 . 1 1 18 18 VAL CB C 18 35.300 35.300 33.681 1.619 18131 28 1 . 1 1 19 19 PHE C C 19 172.700 172.700 174.892 -2.192 18131 29 1 . 1 1 19 19 PHE CA C 19 56.100 56.100 57.713 -1.613 18131 30 1 . 1 1 19 19 PHE CB C 19 42.200 42.200 41.122 1.078 18131 31 1 . 1 1 20 20 PHE C C 20 172.300 172.300 174.256 -1.956 18131 32 1 . 1 1 20 20 PHE CA C 20 56.000 56.000 57.203 -1.203 18131 33 1 . 1 1 20 20 PHE CB C 20 42.900 42.900 40.506 2.394 18131 34 1 . 1 1 21 21 ALA C C 21 175.100 175.100 176.468 -1.368 18131 35 1 . 1 1 21 21 ALA CA C 21 49.700 49.700 51.720 -2.020 18131 36 1 . 1 1 21 21 ALA CB C 21 22.100 22.100 20.121 1.979 18131 37 1 . 1 1 22 22 GLU C C 22 176.000 176.000 175.696 0.304 18131 38 1 . 1 1 22 22 GLU CA C 22 54.400 54.400 56.040 -1.640 18131 39 1 . 1 1 22 22 GLU CB C 22 33.900 33.900 31.284 2.616 18131 40 1 . 1 1 23 23 ASP C C 23 174.400 174.400 175.867 -1.467 18131 41 1 . 1 1 23 23 ASP CA C 23 56.500 56.500 55.064 1.436 18131 42 1 . 1 1 23 23 ASP CB C 23 39.100 39.100 40.373 -1.273 18131 43 1 . 1 1 24 24 VAL C C 24 176.800 176.800 176.768 0.033 18131 44 1 . 1 1 24 24 VAL CA C 24 60.100 60.100 62.375 -2.275 18131 45 1 . 1 1 24 24 VAL CB C 24 32.700 32.700 32.548 0.151 18131 46 1 . 1 1 25 25 GLY C C 25 171.500 171.500 174.251 -2.751 18131 47 1 . 1 1 25 25 GLY CA C 25 46.500 46.500 45.541 0.959 18131 48 1 . 1 1 26 26 SER C C 26 173.800 173.800 173.819 -0.019 18131 49 1 . 1 1 26 26 SER CA C 26 55.700 55.700 57.750 -2.050 18131 50 1 . 1 1 26 26 SER CB C 26 65.300 65.300 64.152 1.148 18131 51 1 . 1 1 27 27 ASN C C 27 174.300 174.300 175.812 -1.512 18131 52 1 . 1 1 27 27 ASN CA C 27 53.100 53.100 53.444 -0.344 18131 53 1 . 1 1 27 27 ASN CB C 27 40.800 40.800 39.297 1.503 18131 54 1 . 1 1 28 28 LYS C C 28 175.300 175.300 177.075 -1.775 18131 55 1 . 1 1 28 28 LYS CA C 28 55.500 55.500 57.333 -1.833 18131 56 1 . 1 1 28 28 LYS CB C 28 35.500 35.500 32.513 2.987 18131 57 1 . 1 1 29 29 GLY C C 29 171.700 171.700 173.531 -1.831 18131 58 1 . 1 1 29 29 GLY CA C 29 43.500 43.500 44.744 -1.244 18131 59 1 . 1 1 30 30 ALA C C 30 175.200 175.200 176.539 -1.339 18131 60 1 . 1 1 30 30 ALA CA C 30 49.800 49.800 51.814 -2.014 18131 61 1 . 1 1 30 30 ALA CB C 30 21.300 21.300 19.185 2.115 18131 62 1 . 1 1 31 31 ILE C C 31 173.600 173.600 175.047 -1.447 18131 63 1 . 1 1 31 31 ILE CA C 31 60.800 60.800 60.791 0.009 18131 64 1 . 1 1 31 31 ILE CB C 31 39.900 39.900 40.184 -0.283 18131 65 1 . 1 1 32 32 ILE C C 32 175.700 175.700 175.993 -0.293 18131 66 1 . 1 1 32 32 ILE CA C 32 57.200 57.200 61.017 -3.817 18131 67 1 . 1 1 32 32 ILE CB C 32 42.200 42.200 38.393 3.807 18131 68 1 . 1 1 33 33 GLY C C 33 171.700 171.700 173.531 -1.831 18131 69 1 . 1 1 33 33 GLY CA C 33 48.100 48.100 44.969 3.131 18131 70 1 . 1 1 34 34 LEU C C 34 173.200 173.200 176.269 -3.069 18131 71 1 . 1 1 34 34 LEU CA C 34 54.200 54.200 54.301 -0.101 18131 72 1 . 1 1 34 34 LEU CB C 34 45.800 45.800 44.927 0.873 18131 73 1 . 1 1 35 35 MET C C 35 172.900 172.900 175.122 -2.222 18131 74 1 . 1 1 35 35 MET CA C 35 54.100 54.100 54.791 -0.692 18131 75 1 . 1 1 35 35 MET CB C 35 36.400 36.400 32.813 3.587 18131 76 1 . 1 1 36 36 VAL C C 36 175.400 175.400 176.168 -0.768 18131 77 1 . 1 1 36 36 VAL CA C 36 58.900 58.900 62.093 -3.193 18131 78 1 . 1 1 36 36 VAL CB C 36 35.100 35.100 31.933 3.167 18131 79 1 . 1 1 37 37 GLY C C 37 172.300 172.300 174.796 -2.496 18131 80 1 . 1 1 37 37 GLY CA C 37 48.300 48.300 44.920 3.380 18131 81 1 . 1 1 38 38 GLY C C 38 171.300 171.300 174.543 -3.243 18131 82 1 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.416 -1.315 18131 83 1 . 1 1 39 39 VAL C C 39 173.500 173.500 176.555 -3.055 18131 84 1 . 1 1 39 39 VAL CA C 39 60.600 60.600 61.057 -0.457 18131 85 1 . 1 1 39 39 VAL CB C 39 34.100 34.100 33.483 0.617 18131 stop_ save_