data_19333 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19333 _Entry.PDB_ID 2MA9 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 19333 _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 7 7 SER N N 7 115.710 115.710 117.600 -1.890 19333 2 1 1 . 1 1 7 7 SER CA C 7 58.270 58.270 60.808 -2.538 19333 3 1 1 . 1 1 7 7 SER CB C 7 64.320 64.320 63.042 1.278 19333 4 1 1 . 1 1 7 7 SER H H 7 8.190 8.190 8.229 -0.039 19333 5 1 1 . 1 1 8 8 LEU N N 8 122.870 122.870 121.281 1.589 19333 6 1 1 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.347 -2.007 19333 7 1 1 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.245 1.405 19333 8 1 1 . 1 1 8 8 LEU H H 8 8.030 8.030 8.311 -0.281 19333 9 1 1 . 1 1 9 9 GLN N N 9 120.070 120.070 118.285 1.785 19333 10 1 1 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.930 -2.540 19333 11 1 1 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.288 1.112 19333 12 1 1 . 1 1 9 9 GLN H H 9 8.270 8.270 8.364 -0.094 19333 13 1 1 . 1 1 10 10 TYR CB C 10 33.060 33.060 39.680 -6.620 19333 14 1 1 . 1 1 11 11 LEU N N 11 123.240 123.240 119.145 4.095 19333 15 1 1 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.221 -1.671 19333 16 1 1 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.767 0.423 19333 17 1 1 . 1 1 11 11 LEU H H 11 8.290 8.290 8.287 0.003 19333 18 1 1 . 1 1 12 12 ALA N N 12 123.710 123.710 120.435 3.275 19333 19 1 1 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.753 -2.143 19333 20 1 1 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.832 0.168 19333 21 1 1 . 1 1 12 12 ALA H H 12 8.040 8.040 8.139 -0.099 19333 22 1 1 . 1 1 13 13 LEU N N 13 120.350 120.350 120.023 0.327 19333 23 1 1 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.791 -1.321 19333 24 1 1 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.817 0.623 19333 25 1 1 . 1 1 13 13 LEU H H 13 7.950 7.950 7.558 0.392 19333 26 1 1 . 1 1 14 14 ALA N N 14 123.150 123.150 119.246 3.904 19333 27 1 1 . 1 1 14 14 ALA CA C 14 52.730 52.730 52.385 0.346 19333 28 1 1 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.453 0.577 19333 29 1 1 . 1 1 14 14 ALA H H 14 8.080 8.080 7.559 0.521 19333 30 1 1 . 1 1 15 15 ALA N N 15 120.980 120.980 121.501 -0.521 19333 31 1 1 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.393 -0.083 19333 32 1 1 . 1 1 15 15 ALA CB C 15 19.290 19.290 21.200 -1.910 19333 33 1 1 . 1 1 15 15 ALA H H 15 7.910 7.910 7.675 0.235 19333 34 1 1 . 1 1 16 16 LEU N N 16 119.930 119.930 119.129 0.801 19333 35 1 1 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.348 -0.428 19333 36 1 1 . 1 1 16 16 LEU CB C 16 42.680 42.680 44.923 -2.243 19333 37 1 1 . 1 1 16 16 LEU H H 16 7.930 7.930 8.000 -0.070 19333 38 1 1 . 1 1 17 17 ILE N N 17 120.950 120.950 126.825 -5.875 19333 39 1 1 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.372 -0.912 19333 40 1 1 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.447 1.433 19333 41 1 1 . 1 1 17 17 ILE H H 17 7.890 7.890 8.521 -0.631 19333 42 1 1 . 1 1 18 18 LYS N N 18 126.800 126.800 129.977 -3.177 19333 43 1 1 . 1 1 18 18 LYS CA C 18 54.060 54.060 54.145 -0.085 19333 44 1 1 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.490 -0.470 19333 45 1 1 . 1 1 18 18 LYS H H 18 8.290 8.290 8.285 0.005 19333 46 1 1 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.685 -0.445 19333 47 1 1 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.519 0.771 19333 48 1 1 . 1 1 20 20 LYS N N 20 123.270 123.270 120.340 2.930 19333 49 1 1 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.177 -2.507 19333 50 1 1 . 1 1 20 20 LYS CB C 20 41.780 41.780 33.976 7.804 19333 51 1 1 . 1 1 20 20 LYS H H 20 8.280 8.280 7.502 0.778 19333 52 1 1 . 1 1 21 21 GLN CA C 21 61.790 61.790 55.054 6.736 19333 53 1 1 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.637 0.953 19333 54 1 1 . 1 1 22 22 ILE N N 22 122.790 122.790 122.003 0.787 19333 55 1 1 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.318 -3.148 19333 56 1 1 . 1 1 22 22 ILE H H 22 8.340 8.340 8.235 0.105 19333 57 1 1 . 1 1 23 23 LYS N N 23 124.810 124.810 123.757 1.053 19333 58 1 1 . 1 1 23 23 LYS H H 23 8.330 8.330 8.289 0.041 19333 59 1 1 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.885 -1.735 19333 60 1 1 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.963 0.257 19333 61 1 1 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.209 -4.099 19333 62 1 1 . 1 1 26 26 LEU N N 26 121.710 121.710 121.564 0.146 19333 63 1 1 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.418 3.542 19333 64 1 1 . 1 1 26 26 LEU CB C 26 32.940 32.940 41.110 -8.170 19333 65 1 1 . 1 1 26 26 LEU H H 26 8.400 8.400 8.224 0.176 19333 66 1 1 . 1 1 27 27 PRO CA C 27 62.730 62.730 64.543 -1.813 19333 67 1 1 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.239 1.171 19333 68 1 1 . 1 1 28 28 SER N N 28 115.780 115.780 114.082 1.698 19333 69 1 1 . 1 1 28 28 SER CA C 28 58.020 58.020 59.957 -1.937 19333 70 1 1 . 1 1 28 28 SER CB C 28 64.150 64.150 63.324 0.826 19333 71 1 1 . 1 1 28 28 SER H H 28 8.340 8.340 8.342 -0.002 19333 72 1 1 . 1 1 29 29 VAL N N 29 121.980 121.980 121.307 0.673 19333 73 1 1 . 1 1 29 29 VAL CA C 29 62.160 62.160 62.039 0.121 19333 74 1 1 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.712 -0.782 19333 75 1 1 . 1 1 29 29 VAL H H 29 8.120 8.120 7.467 0.653 19333 76 1 1 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.853 0.247 19333 77 1 1 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.511 0.619 19333 78 1 1 . 1 1 31 31 LYS N N 31 112.500 112.500 121.748 -9.248 19333 79 1 1 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.532 1.328 19333 80 1 1 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.160 -6.660 19333 81 1 1 . 1 1 31 31 LYS H H 31 7.820 7.820 8.084 -0.264 19333 82 1 1 . 1 1 32 32 LEU N N 32 119.340 119.340 119.971 -0.631 19333 83 1 1 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.664 -1.764 19333 84 1 1 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.121 -3.261 19333 85 1 1 . 1 1 32 32 LEU H H 32 8.090 8.090 8.444 -0.354 19333 86 1 1 . 1 1 33 33 THR N N 33 114.030 114.030 116.163 -2.133 19333 87 1 1 . 1 1 33 33 THR CA C 33 61.510 61.510 61.823 -0.313 19333 88 1 1 . 1 1 33 33 THR CB C 33 69.990 69.990 69.649 0.341 19333 89 1 1 . 1 1 33 33 THR H H 33 8.030 8.030 7.955 0.075 19333 90 1 1 . 1 1 34 34 GLU N N 34 123.520 123.520 121.603 1.917 19333 91 1 1 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.621 0.089 19333 92 1 1 . 1 1 34 34 GLU CB C 34 30.860 30.860 30.387 0.473 19333 93 1 1 . 1 1 34 34 GLU H H 34 8.360 8.360 8.457 -0.097 19333 94 1 1 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.144 3.276 19333 95 1 1 . 1 1 35 35 ASP CB C 35 38.800 38.800 42.006 -3.206 19333 96 1 1 . 1 1 36 36 ARG N N 36 120.190 120.190 117.476 2.714 19333 97 1 1 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.424 0.556 19333 98 1 1 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.540 -3.040 19333 99 1 1 . 1 1 36 36 ARG H H 36 8.030 8.030 8.255 -0.225 19333 100 1 2 . 1 1 7 7 SER N N 7 115.710 115.710 116.940 -1.230 19333 101 1 2 . 1 1 7 7 SER CA C 7 58.270 58.270 59.835 -1.565 19333 102 1 2 . 1 1 7 7 SER CB C 7 64.320 64.320 63.831 0.489 19333 103 1 2 . 1 1 7 7 SER H H 7 8.190 8.190 8.146 0.044 19333 104 1 2 . 1 1 8 8 LEU N N 8 122.870 122.870 123.530 -0.660 19333 105 1 2 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.174 -1.834 19333 106 1 2 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.257 1.393 19333 107 1 2 . 1 1 8 8 LEU H H 8 8.030 8.030 8.057 -0.027 19333 108 1 2 . 1 1 9 9 GLN N N 9 120.070 120.070 118.409 1.661 19333 109 1 2 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.851 -2.461 19333 110 1 2 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.337 1.063 19333 111 1 2 . 1 1 9 9 GLN H H 9 8.270 8.270 8.579 -0.309 19333 112 1 2 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.795 -7.735 19333 113 1 2 . 1 1 11 11 LEU N N 11 123.240 123.240 120.685 2.555 19333 114 1 2 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.858 -2.308 19333 115 1 2 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.775 0.415 19333 116 1 2 . 1 1 11 11 LEU H H 11 8.290 8.290 8.569 -0.279 19333 117 1 2 . 1 1 12 12 ALA N N 12 123.710 123.710 120.885 2.825 19333 118 1 2 . 1 1 12 12 ALA CA C 12 52.610 52.610 55.027 -2.417 19333 119 1 2 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.308 0.692 19333 120 1 2 . 1 1 12 12 ALA H H 12 8.040 8.040 7.936 0.104 19333 121 1 2 . 1 1 13 13 LEU N N 13 120.350 120.350 119.485 0.865 19333 122 1 2 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.942 -1.472 19333 123 1 2 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.680 0.760 19333 124 1 2 . 1 1 13 13 LEU H H 13 7.950 7.950 7.512 0.438 19333 125 1 2 . 1 1 14 14 ALA N N 14 123.150 123.150 120.083 3.067 19333 126 1 2 . 1 1 14 14 ALA CA C 14 52.730 52.730 53.023 -0.293 19333 127 1 2 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.503 0.527 19333 128 1 2 . 1 1 14 14 ALA H H 14 8.080 8.080 7.684 0.396 19333 129 1 2 . 1 1 15 15 ALA N N 15 120.980 120.980 121.116 -0.136 19333 130 1 2 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.726 -0.416 19333 131 1 2 . 1 1 15 15 ALA CB C 15 19.290 19.290 19.973 -0.682 19333 132 1 2 . 1 1 15 15 ALA H H 15 7.910 7.910 7.325 0.585 19333 133 1 2 . 1 1 16 16 LEU N N 16 119.930 119.930 118.613 1.317 19333 134 1 2 . 1 1 16 16 LEU CA C 16 54.920 54.920 54.984 -0.064 19333 135 1 2 . 1 1 16 16 LEU CB C 16 42.680 42.680 44.764 -2.084 19333 136 1 2 . 1 1 16 16 LEU H H 16 7.930 7.930 7.788 0.142 19333 137 1 2 . 1 1 17 17 ILE N N 17 120.950 120.950 127.128 -6.178 19333 138 1 2 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.639 -1.179 19333 139 1 2 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.511 1.369 19333 140 1 2 . 1 1 17 17 ILE H H 17 7.890 7.890 8.545 -0.655 19333 141 1 2 . 1 1 18 18 LYS N N 18 126.800 126.800 129.803 -3.003 19333 142 1 2 . 1 1 18 18 LYS CA C 18 54.060 54.060 54.357 -0.297 19333 143 1 2 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.499 -0.479 19333 144 1 2 . 1 1 18 18 LYS H H 18 8.290 8.290 8.244 0.046 19333 145 1 2 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.755 -0.515 19333 146 1 2 . 1 1 19 19 PRO CB C 19 32.290 32.290 32.209 0.081 19333 147 1 2 . 1 1 20 20 LYS N N 20 123.270 123.270 120.164 3.106 19333 148 1 2 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.317 -2.647 19333 149 1 2 . 1 1 20 20 LYS CB C 20 41.780 41.780 33.455 8.325 19333 150 1 2 . 1 1 20 20 LYS H H 20 8.280 8.280 7.793 0.487 19333 151 1 2 . 1 1 21 21 GLN CA C 21 61.790 61.790 55.562 6.228 19333 152 1 2 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.534 1.056 19333 153 1 2 . 1 1 22 22 ILE N N 22 122.790 122.790 121.412 1.378 19333 154 1 2 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.493 -3.323 19333 155 1 2 . 1 1 22 22 ILE H H 22 8.340 8.340 8.260 0.080 19333 156 1 2 . 1 1 23 23 LYS N N 23 124.810 124.810 125.139 -0.329 19333 157 1 2 . 1 1 23 23 LYS H H 23 8.330 8.330 8.212 0.118 19333 158 1 2 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.749 -1.599 19333 159 1 2 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.571 0.649 19333 160 1 2 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.074 -3.964 19333 161 1 2 . 1 1 26 26 LEU N N 26 121.710 121.710 119.330 2.380 19333 162 1 2 . 1 1 26 26 LEU CA C 26 55.960 55.960 51.921 4.039 19333 163 1 2 . 1 1 26 26 LEU CB C 26 32.940 32.940 40.864 -7.924 19333 164 1 2 . 1 1 26 26 LEU H H 26 8.400 8.400 8.216 0.184 19333 165 1 2 . 1 1 27 27 PRO CA C 27 62.730 62.730 65.171 -2.441 19333 166 1 2 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.486 0.924 19333 167 1 2 . 1 1 28 28 SER N N 28 115.780 115.780 112.877 2.903 19333 168 1 2 . 1 1 28 28 SER CA C 28 58.020 58.020 59.640 -1.620 19333 169 1 2 . 1 1 28 28 SER CB C 28 64.150 64.150 63.424 0.726 19333 170 1 2 . 1 1 28 28 SER H H 28 8.340 8.340 8.458 -0.118 19333 171 1 2 . 1 1 29 29 VAL N N 29 121.980 121.980 120.639 1.341 19333 172 1 2 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.555 0.605 19333 173 1 2 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.793 -0.863 19333 174 1 2 . 1 1 29 29 VAL H H 29 8.120 8.120 7.543 0.577 19333 175 1 2 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.828 0.272 19333 176 1 2 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.655 0.475 19333 177 1 2 . 1 1 31 31 LYS N N 31 112.500 112.500 121.619 -9.119 19333 178 1 2 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.458 1.402 19333 179 1 2 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.140 -6.640 19333 180 1 2 . 1 1 31 31 LYS H H 31 7.820 7.820 8.083 -0.263 19333 181 1 2 . 1 1 32 32 LEU N N 32 119.340 119.340 119.869 -0.529 19333 182 1 2 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.556 -1.656 19333 183 1 2 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.313 -3.453 19333 184 1 2 . 1 1 32 32 LEU H H 32 8.090 8.090 8.425 -0.335 19333 185 1 2 . 1 1 33 33 THR N N 33 114.030 114.030 115.342 -1.312 19333 186 1 2 . 1 1 33 33 THR CA C 33 61.510 61.510 60.943 0.567 19333 187 1 2 . 1 1 33 33 THR CB C 33 69.990 69.990 70.291 -0.301 19333 188 1 2 . 1 1 33 33 THR H H 33 8.030 8.030 8.191 -0.161 19333 189 1 2 . 1 1 34 34 GLU N N 34 123.520 123.520 121.561 1.959 19333 190 1 2 . 1 1 34 34 GLU CA C 34 55.710 55.710 56.224 -0.514 19333 191 1 2 . 1 1 34 34 GLU CB C 34 30.860 30.860 30.736 0.124 19333 192 1 2 . 1 1 34 34 GLU H H 34 8.360 8.360 8.640 -0.280 19333 193 1 2 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.091 3.329 19333 194 1 2 . 1 1 35 35 ASP CB C 35 38.800 38.800 41.909 -3.109 19333 195 1 2 . 1 1 36 36 ARG N N 36 120.190 120.190 117.401 2.789 19333 196 1 2 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.654 0.326 19333 197 1 2 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.106 -2.606 19333 198 1 2 . 1 1 36 36 ARG H H 36 8.030 8.030 8.236 -0.206 19333 199 1 3 . 1 1 7 7 SER N N 7 115.710 115.710 117.454 -1.744 19333 200 1 3 . 1 1 7 7 SER CA C 7 58.270 58.270 60.502 -2.232 19333 201 1 3 . 1 1 7 7 SER CB C 7 64.320 64.320 63.127 1.193 19333 202 1 3 . 1 1 7 7 SER H H 7 8.190 8.190 8.189 0.001 19333 203 1 3 . 1 1 8 8 LEU N N 8 122.870 122.870 122.317 0.553 19333 204 1 3 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.092 -1.752 19333 205 1 3 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.235 1.415 19333 206 1 3 . 1 1 8 8 LEU H H 8 8.030 8.030 8.065 -0.035 19333 207 1 3 . 1 1 9 9 GLN N N 9 120.070 120.070 118.743 1.327 19333 208 1 3 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.827 -2.437 19333 209 1 3 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.376 1.024 19333 210 1 3 . 1 1 9 9 GLN H H 9 8.270 8.270 8.583 -0.313 19333 211 1 3 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.400 -7.340 19333 212 1 3 . 1 1 11 11 LEU N N 11 123.240 123.240 120.845 2.395 19333 213 1 3 . 1 1 11 11 LEU CA C 11 55.550 55.550 58.095 -2.545 19333 214 1 3 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.862 0.328 19333 215 1 3 . 1 1 11 11 LEU H H 11 8.290 8.290 8.599 -0.309 19333 216 1 3 . 1 1 12 12 ALA N N 12 123.710 123.710 120.873 2.837 19333 217 1 3 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.729 -2.119 19333 218 1 3 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.317 0.683 19333 219 1 3 . 1 1 12 12 ALA H H 12 8.040 8.040 8.101 -0.061 19333 220 1 3 . 1 1 13 13 LEU N N 13 120.350 120.350 119.772 0.578 19333 221 1 3 . 1 1 13 13 LEU CA C 13 55.470 55.470 57.070 -1.600 19333 222 1 3 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.677 0.763 19333 223 1 3 . 1 1 13 13 LEU H H 13 7.950 7.950 7.738 0.212 19333 224 1 3 . 1 1 14 14 ALA N N 14 123.150 123.150 119.602 3.548 19333 225 1 3 . 1 1 14 14 ALA CA C 14 52.730 52.730 53.127 -0.397 19333 226 1 3 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.655 0.375 19333 227 1 3 . 1 1 14 14 ALA H H 14 8.080 8.080 7.702 0.378 19333 228 1 3 . 1 1 15 15 ALA N N 15 120.980 120.980 120.627 0.353 19333 229 1 3 . 1 1 15 15 ALA CA C 15 52.310 52.310 53.388 -1.078 19333 230 1 3 . 1 1 15 15 ALA CB C 15 19.290 19.290 19.859 -0.569 19333 231 1 3 . 1 1 15 15 ALA H H 15 7.910 7.910 7.477 0.433 19333 232 1 3 . 1 1 16 16 LEU N N 16 119.930 119.930 118.628 1.302 19333 233 1 3 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.218 -0.298 19333 234 1 3 . 1 1 16 16 LEU CB C 16 42.680 42.680 44.790 -2.110 19333 235 1 3 . 1 1 16 16 LEU H H 16 7.930 7.930 7.589 0.341 19333 236 1 3 . 1 1 17 17 ILE N N 17 120.950 120.950 121.098 -0.148 19333 237 1 3 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.368 -0.908 19333 238 1 3 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.118 1.762 19333 239 1 3 . 1 1 17 17 ILE H H 17 7.890 7.890 8.108 -0.218 19333 240 1 3 . 1 1 18 18 LYS N N 18 126.800 126.800 129.925 -3.125 19333 241 1 3 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.216 0.844 19333 242 1 3 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.460 -0.440 19333 243 1 3 . 1 1 18 18 LYS H H 18 8.290 8.290 8.422 -0.132 19333 244 1 3 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.633 -0.393 19333 245 1 3 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.240 1.050 19333 246 1 3 . 1 1 20 20 LYS N N 20 123.270 123.270 121.469 1.801 19333 247 1 3 . 1 1 20 20 LYS CA C 20 52.670 52.670 54.789 -2.119 19333 248 1 3 . 1 1 20 20 LYS CB C 20 41.780 41.780 34.919 6.861 19333 249 1 3 . 1 1 20 20 LYS H H 20 8.280 8.280 7.786 0.494 19333 250 1 3 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.545 7.245 19333 251 1 3 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.856 0.734 19333 252 1 3 . 1 1 22 22 ILE N N 22 122.790 122.790 120.636 2.154 19333 253 1 3 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.386 -3.216 19333 254 1 3 . 1 1 22 22 ILE H H 22 8.340 8.340 8.297 0.043 19333 255 1 3 . 1 1 23 23 LYS N N 23 124.810 124.810 120.457 4.353 19333 256 1 3 . 1 1 23 23 LYS H H 23 8.330 8.330 8.162 0.168 19333 257 1 3 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.795 -1.645 19333 258 1 3 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.997 0.223 19333 259 1 3 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.024 -3.914 19333 260 1 3 . 1 1 26 26 LEU N N 26 121.710 121.710 125.050 -3.340 19333 261 1 3 . 1 1 26 26 LEU CA C 26 55.960 55.960 53.624 2.336 19333 262 1 3 . 1 1 26 26 LEU CB C 26 32.940 32.940 41.023 -8.082 19333 263 1 3 . 1 1 26 26 LEU H H 26 8.400 8.400 8.283 0.117 19333 264 1 3 . 1 1 27 27 PRO CA C 27 62.730 62.730 65.094 -2.364 19333 265 1 3 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.474 0.936 19333 266 1 3 . 1 1 28 28 SER N N 28 115.780 115.780 113.358 2.422 19333 267 1 3 . 1 1 28 28 SER CA C 28 58.020 58.020 59.403 -1.383 19333 268 1 3 . 1 1 28 28 SER CB C 28 64.150 64.150 63.473 0.677 19333 269 1 3 . 1 1 28 28 SER H H 28 8.340 8.340 8.445 -0.105 19333 270 1 3 . 1 1 29 29 VAL N N 29 121.980 121.980 121.364 0.616 19333 271 1 3 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.440 0.721 19333 272 1 3 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.939 -1.009 19333 273 1 3 . 1 1 29 29 VAL H H 29 8.120 8.120 7.662 0.458 19333 274 1 3 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.869 0.231 19333 275 1 3 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.612 0.518 19333 276 1 3 . 1 1 31 31 LYS N N 31 112.500 112.500 121.674 -9.174 19333 277 1 3 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.437 1.423 19333 278 1 3 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.107 -6.607 19333 279 1 3 . 1 1 31 31 LYS H H 31 7.820 7.820 8.000 -0.180 19333 280 1 3 . 1 1 32 32 LEU N N 32 119.340 119.340 120.383 -1.043 19333 281 1 3 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.506 -1.606 19333 282 1 3 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.292 -3.432 19333 283 1 3 . 1 1 32 32 LEU H H 32 8.090 8.090 8.409 -0.319 19333 284 1 3 . 1 1 33 33 THR N N 33 114.030 114.030 114.566 -0.536 19333 285 1 3 . 1 1 33 33 THR CA C 33 61.510 61.510 61.024 0.486 19333 286 1 3 . 1 1 33 33 THR CB C 33 69.990 69.990 70.172 -0.182 19333 287 1 3 . 1 1 33 33 THR H H 33 8.030 8.030 7.918 0.112 19333 288 1 3 . 1 1 34 34 GLU N N 34 123.520 123.520 120.640 2.880 19333 289 1 3 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.372 0.338 19333 290 1 3 . 1 1 34 34 GLU CB C 34 30.860 30.860 30.983 -0.123 19333 291 1 3 . 1 1 34 34 GLU H H 34 8.360 8.360 8.365 -0.005 19333 292 1 3 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.090 3.330 19333 293 1 3 . 1 1 35 35 ASP CB C 35 38.800 38.800 42.778 -3.978 19333 294 1 3 . 1 1 36 36 ARG N N 36 120.190 120.190 117.453 2.737 19333 295 1 3 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.820 0.160 19333 296 1 3 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.871 -3.371 19333 297 1 3 . 1 1 36 36 ARG H H 36 8.030 8.030 7.871 0.159 19333 298 1 4 . 1 1 7 7 SER N N 7 115.710 115.710 117.733 -2.023 19333 299 1 4 . 1 1 7 7 SER CA C 7 58.270 58.270 60.771 -2.501 19333 300 1 4 . 1 1 7 7 SER CB C 7 64.320 64.320 63.058 1.262 19333 301 1 4 . 1 1 7 7 SER H H 7 8.190 8.190 8.204 -0.014 19333 302 1 4 . 1 1 8 8 LEU N N 8 122.870 122.870 121.990 0.880 19333 303 1 4 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.170 -1.830 19333 304 1 4 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.279 1.371 19333 305 1 4 . 1 1 8 8 LEU H H 8 8.030 8.030 8.062 -0.032 19333 306 1 4 . 1 1 9 9 GLN N N 9 120.070 120.070 117.699 2.371 19333 307 1 4 . 1 1 9 9 GLN CA C 9 56.390 56.390 59.051 -2.661 19333 308 1 4 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.360 1.040 19333 309 1 4 . 1 1 9 9 GLN H H 9 8.270 8.270 8.668 -0.398 19333 310 1 4 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.026 -6.966 19333 311 1 4 . 1 1 11 11 LEU N N 11 123.240 123.240 120.289 2.951 19333 312 1 4 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.755 -2.205 19333 313 1 4 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.848 0.342 19333 314 1 4 . 1 1 11 11 LEU H H 11 8.290 8.290 8.476 -0.186 19333 315 1 4 . 1 1 12 12 ALA N N 12 123.710 123.710 121.046 2.664 19333 316 1 4 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.966 -2.356 19333 317 1 4 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.250 0.750 19333 318 1 4 . 1 1 12 12 ALA H H 12 8.040 8.040 8.180 -0.140 19333 319 1 4 . 1 1 13 13 LEU N N 13 120.350 120.350 119.113 1.237 19333 320 1 4 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.949 -1.479 19333 321 1 4 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.688 0.752 19333 322 1 4 . 1 1 13 13 LEU H H 13 7.950 7.950 7.638 0.312 19333 323 1 4 . 1 1 14 14 ALA N N 14 123.150 123.150 119.702 3.448 19333 324 1 4 . 1 1 14 14 ALA CA C 14 52.730 52.730 52.843 -0.113 19333 325 1 4 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.653 0.377 19333 326 1 4 . 1 1 14 14 ALA H H 14 8.080 8.080 7.538 0.542 19333 327 1 4 . 1 1 15 15 ALA N N 15 120.980 120.980 121.404 -0.424 19333 328 1 4 . 1 1 15 15 ALA CA C 15 52.310 52.310 53.047 -0.737 19333 329 1 4 . 1 1 15 15 ALA CB C 15 19.290 19.290 19.885 -0.595 19333 330 1 4 . 1 1 15 15 ALA H H 15 7.910 7.910 7.684 0.226 19333 331 1 4 . 1 1 16 16 LEU N N 16 119.930 119.930 117.997 1.933 19333 332 1 4 . 1 1 16 16 LEU CA C 16 54.920 54.920 54.957 -0.037 19333 333 1 4 . 1 1 16 16 LEU CB C 16 42.680 42.680 45.071 -2.391 19333 334 1 4 . 1 1 16 16 LEU H H 16 7.930 7.930 7.776 0.154 19333 335 1 4 . 1 1 17 17 ILE N N 17 120.950 120.950 127.404 -6.454 19333 336 1 4 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.421 -0.961 19333 337 1 4 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.594 1.286 19333 338 1 4 . 1 1 17 17 ILE H H 17 7.890 7.890 8.534 -0.644 19333 339 1 4 . 1 1 18 18 LYS N N 18 126.800 126.800 129.904 -3.104 19333 340 1 4 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.701 0.359 19333 341 1 4 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.352 -0.332 19333 342 1 4 . 1 1 18 18 LYS H H 18 8.290 8.290 8.326 -0.036 19333 343 1 4 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.577 -0.336 19333 344 1 4 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.559 0.731 19333 345 1 4 . 1 1 20 20 LYS N N 20 123.270 123.270 121.847 1.423 19333 346 1 4 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.344 -2.674 19333 347 1 4 . 1 1 20 20 LYS CB C 20 41.780 41.780 35.016 6.764 19333 348 1 4 . 1 1 20 20 LYS H H 20 8.280 8.280 7.999 0.281 19333 349 1 4 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.500 7.290 19333 350 1 4 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.641 0.949 19333 351 1 4 . 1 1 22 22 ILE N N 22 122.790 122.790 122.517 0.273 19333 352 1 4 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.750 -3.580 19333 353 1 4 . 1 1 22 22 ILE H H 22 8.340 8.340 8.325 0.015 19333 354 1 4 . 1 1 23 23 LYS N N 23 124.810 124.810 127.901 -3.091 19333 355 1 4 . 1 1 23 23 LYS H H 23 8.330 8.330 8.750 -0.420 19333 356 1 4 . 1 1 24 24 PRO CA C 24 61.150 61.150 63.031 -1.881 19333 357 1 4 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.814 0.406 19333 358 1 4 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.120 -4.010 19333 359 1 4 . 1 1 26 26 LEU N N 26 121.710 121.710 121.649 0.061 19333 360 1 4 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.814 3.146 19333 361 1 4 . 1 1 26 26 LEU CB C 26 32.940 32.940 40.781 -7.841 19333 362 1 4 . 1 1 26 26 LEU H H 26 8.400 8.400 8.238 0.162 19333 363 1 4 . 1 1 27 27 PRO CA C 27 62.730 62.730 64.572 -1.842 19333 364 1 4 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.275 1.135 19333 365 1 4 . 1 1 28 28 SER N N 28 115.780 115.780 114.241 1.539 19333 366 1 4 . 1 1 28 28 SER CA C 28 58.020 58.020 60.277 -2.257 19333 367 1 4 . 1 1 28 28 SER CB C 28 64.150 64.150 63.253 0.897 19333 368 1 4 . 1 1 28 28 SER H H 28 8.340 8.340 8.426 -0.086 19333 369 1 4 . 1 1 29 29 VAL N N 29 121.980 121.980 121.208 0.772 19333 370 1 4 . 1 1 29 29 VAL CA C 29 62.160 62.160 62.338 -0.178 19333 371 1 4 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.713 -0.783 19333 372 1 4 . 1 1 29 29 VAL H H 29 8.120 8.120 7.498 0.622 19333 373 1 4 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.892 0.208 19333 374 1 4 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.333 0.797 19333 375 1 4 . 1 1 31 31 LYS N N 31 112.500 112.500 121.871 -9.371 19333 376 1 4 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.529 1.331 19333 377 1 4 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.295 -6.795 19333 378 1 4 . 1 1 31 31 LYS H H 31 7.820 7.820 8.082 -0.262 19333 379 1 4 . 1 1 32 32 LEU N N 32 119.340 119.340 120.556 -1.216 19333 380 1 4 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.635 -1.735 19333 381 1 4 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.305 -3.445 19333 382 1 4 . 1 1 32 32 LEU H H 32 8.090 8.090 8.415 -0.325 19333 383 1 4 . 1 1 33 33 THR N N 33 114.030 114.030 116.932 -2.902 19333 384 1 4 . 1 1 33 33 THR CA C 33 61.510 61.510 62.287 -0.777 19333 385 1 4 . 1 1 33 33 THR CB C 33 69.990 69.990 69.449 0.541 19333 386 1 4 . 1 1 33 33 THR H H 33 8.030 8.030 8.306 -0.276 19333 387 1 4 . 1 1 34 34 GLU N N 34 123.520 123.520 126.509 -2.989 19333 388 1 4 . 1 1 34 34 GLU CA C 34 55.710 55.710 56.397 -0.687 19333 389 1 4 . 1 1 34 34 GLU CB C 34 30.860 30.860 29.417 1.443 19333 390 1 4 . 1 1 34 34 GLU H H 34 8.360 8.360 8.708 -0.348 19333 391 1 4 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.109 3.311 19333 392 1 4 . 1 1 35 35 ASP CB C 35 38.800 38.800 42.306 -3.506 19333 393 1 4 . 1 1 36 36 ARG N N 36 120.190 120.190 117.337 2.853 19333 394 1 4 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.347 0.633 19333 395 1 4 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.309 -2.809 19333 396 1 4 . 1 1 36 36 ARG H H 36 8.030 8.030 8.170 -0.140 19333 397 1 5 . 1 1 7 7 SER N N 7 115.710 115.710 118.015 -2.305 19333 398 1 5 . 1 1 7 7 SER CA C 7 58.270 58.270 60.609 -2.339 19333 399 1 5 . 1 1 7 7 SER CB C 7 64.320 64.320 63.085 1.235 19333 400 1 5 . 1 1 7 7 SER H H 7 8.190 8.190 8.150 0.040 19333 401 1 5 . 1 1 8 8 LEU N N 8 122.870 122.870 122.021 0.849 19333 402 1 5 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.112 -1.772 19333 403 1 5 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.254 1.396 19333 404 1 5 . 1 1 8 8 LEU H H 8 8.030 8.030 8.048 -0.018 19333 405 1 5 . 1 1 9 9 GLN N N 9 120.070 120.070 118.466 1.604 19333 406 1 5 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.951 -2.561 19333 407 1 5 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.332 1.068 19333 408 1 5 . 1 1 9 9 GLN H H 9 8.270 8.270 8.629 -0.359 19333 409 1 5 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.431 -7.371 19333 410 1 5 . 1 1 11 11 LEU N N 11 123.240 123.240 119.782 3.458 19333 411 1 5 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.726 -2.176 19333 412 1 5 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.792 0.398 19333 413 1 5 . 1 1 11 11 LEU H H 11 8.290 8.290 8.393 -0.103 19333 414 1 5 . 1 1 12 12 ALA N N 12 123.710 123.710 119.986 3.724 19333 415 1 5 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.522 -1.912 19333 416 1 5 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.953 0.047 19333 417 1 5 . 1 1 12 12 ALA H H 12 8.040 8.040 7.871 0.169 19333 418 1 5 . 1 1 13 13 LEU N N 13 120.350 120.350 119.921 0.429 19333 419 1 5 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.811 -1.341 19333 420 1 5 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.954 0.486 19333 421 1 5 . 1 1 13 13 LEU H H 13 7.950 7.950 7.967 -0.017 19333 422 1 5 . 1 1 14 14 ALA N N 14 123.150 123.150 119.137 4.013 19333 423 1 5 . 1 1 14 14 ALA CA C 14 52.730 52.730 52.630 0.100 19333 424 1 5 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.428 0.602 19333 425 1 5 . 1 1 14 14 ALA H H 14 8.080 8.080 7.909 0.171 19333 426 1 5 . 1 1 15 15 ALA N N 15 120.980 120.980 121.239 -0.259 19333 427 1 5 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.557 -0.247 19333 428 1 5 . 1 1 15 15 ALA CB C 15 19.290 19.290 20.904 -1.614 19333 429 1 5 . 1 1 15 15 ALA H H 15 7.910 7.910 7.375 0.535 19333 430 1 5 . 1 1 16 16 LEU N N 16 119.930 119.930 120.897 -0.967 19333 431 1 5 . 1 1 16 16 LEU CA C 16 54.920 54.920 54.215 0.705 19333 432 1 5 . 1 1 16 16 LEU CB C 16 42.680 42.680 43.057 -0.377 19333 433 1 5 . 1 1 16 16 LEU H H 16 7.930 7.930 8.118 -0.188 19333 434 1 5 . 1 1 17 17 ILE N N 17 120.950 120.950 124.267 -3.317 19333 435 1 5 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.957 -1.497 19333 436 1 5 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.662 1.218 19333 437 1 5 . 1 1 17 17 ILE H H 17 7.890 7.890 8.382 -0.492 19333 438 1 5 . 1 1 18 18 LYS N N 18 126.800 126.800 130.849 -4.049 19333 439 1 5 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.756 0.304 19333 440 1 5 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.597 -0.577 19333 441 1 5 . 1 1 18 18 LYS H H 18 8.290 8.290 8.564 -0.274 19333 442 1 5 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.581 -0.341 19333 443 1 5 . 1 1 19 19 PRO CB C 19 32.290 32.290 30.984 1.306 19333 444 1 5 . 1 1 20 20 LYS N N 20 123.270 123.270 120.492 2.778 19333 445 1 5 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.154 -2.484 19333 446 1 5 . 1 1 20 20 LYS CB C 20 41.780 41.780 34.189 7.591 19333 447 1 5 . 1 1 20 20 LYS H H 20 8.280 8.280 7.650 0.630 19333 448 1 5 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.977 6.813 19333 449 1 5 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.668 0.922 19333 450 1 5 . 1 1 22 22 ILE N N 22 122.790 122.790 121.017 1.773 19333 451 1 5 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.552 -3.382 19333 452 1 5 . 1 1 22 22 ILE H H 22 8.340 8.340 8.336 0.004 19333 453 1 5 . 1 1 23 23 LYS N N 23 124.810 124.810 123.046 1.764 19333 454 1 5 . 1 1 23 23 LYS H H 23 8.330 8.330 8.282 0.048 19333 455 1 5 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.605 -1.455 19333 456 1 5 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.878 0.342 19333 457 1 5 . 1 1 25 25 PRO CA C 25 59.110 59.110 62.968 -3.858 19333 458 1 5 . 1 1 26 26 LEU N N 26 121.710 121.710 121.268 0.442 19333 459 1 5 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.242 3.719 19333 460 1 5 . 1 1 26 26 LEU CB C 26 32.940 32.940 41.133 -8.193 19333 461 1 5 . 1 1 26 26 LEU H H 26 8.400 8.400 8.024 0.376 19333 462 1 5 . 1 1 27 27 PRO CA C 27 62.730 62.730 64.941 -2.211 19333 463 1 5 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.307 1.103 19333 464 1 5 . 1 1 28 28 SER N N 28 115.780 115.780 113.527 2.253 19333 465 1 5 . 1 1 28 28 SER CA C 28 58.020 58.020 60.368 -2.348 19333 466 1 5 . 1 1 28 28 SER CB C 28 64.150 64.150 63.300 0.850 19333 467 1 5 . 1 1 28 28 SER H H 28 8.340 8.340 8.441 -0.101 19333 468 1 5 . 1 1 29 29 VAL N N 29 121.980 121.980 121.582 0.398 19333 469 1 5 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.765 0.395 19333 470 1 5 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.962 -1.032 19333 471 1 5 . 1 1 29 29 VAL H H 29 8.120 8.120 7.592 0.528 19333 472 1 5 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.847 0.253 19333 473 1 5 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.530 0.600 19333 474 1 5 . 1 1 31 31 LYS N N 31 112.500 112.500 121.759 -9.259 19333 475 1 5 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.543 1.317 19333 476 1 5 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.088 -6.588 19333 477 1 5 . 1 1 31 31 LYS H H 31 7.820 7.820 8.091 -0.271 19333 478 1 5 . 1 1 32 32 LEU N N 32 119.340 119.340 120.415 -1.075 19333 479 1 5 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.617 -1.717 19333 480 1 5 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.199 -3.339 19333 481 1 5 . 1 1 32 32 LEU H H 32 8.090 8.090 8.427 -0.337 19333 482 1 5 . 1 1 33 33 THR N N 33 114.030 114.030 115.845 -1.815 19333 483 1 5 . 1 1 33 33 THR CA C 33 61.510 61.510 61.376 0.134 19333 484 1 5 . 1 1 33 33 THR CB C 33 69.990 69.990 69.804 0.186 19333 485 1 5 . 1 1 33 33 THR H H 33 8.030 8.030 7.937 0.093 19333 486 1 5 . 1 1 34 34 GLU N N 34 123.520 123.520 120.750 2.770 19333 487 1 5 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.489 0.221 19333 488 1 5 . 1 1 34 34 GLU CB C 34 30.860 30.860 31.148 -0.287 19333 489 1 5 . 1 1 34 34 GLU H H 34 8.360 8.360 8.484 -0.124 19333 490 1 5 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.032 3.388 19333 491 1 5 . 1 1 35 35 ASP CB C 35 38.800 38.800 42.200 -3.400 19333 492 1 5 . 1 1 36 36 ARG N N 36 120.190 120.190 118.172 2.018 19333 493 1 5 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.779 0.201 19333 494 1 5 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.889 -3.389 19333 495 1 5 . 1 1 36 36 ARG H H 36 8.030 8.030 8.072 -0.042 19333 496 1 6 . 1 1 7 7 SER N N 7 115.710 115.710 118.074 -2.364 19333 497 1 6 . 1 1 7 7 SER CA C 7 58.270 58.270 60.277 -2.007 19333 498 1 6 . 1 1 7 7 SER CB C 7 64.320 64.320 63.297 1.023 19333 499 1 6 . 1 1 7 7 SER H H 7 8.190 8.190 8.206 -0.016 19333 500 1 6 . 1 1 8 8 LEU N N 8 122.870 122.870 122.877 -0.007 19333 501 1 6 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.041 -1.701 19333 502 1 6 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.158 1.492 19333 503 1 6 . 1 1 8 8 LEU H H 8 8.030 8.030 8.135 -0.105 19333 504 1 6 . 1 1 9 9 GLN N N 9 120.070 120.070 117.899 2.171 19333 505 1 6 . 1 1 9 9 GLN CA C 9 56.390 56.390 59.465 -3.075 19333 506 1 6 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.269 1.131 19333 507 1 6 . 1 1 9 9 GLN H H 9 8.270 8.270 8.570 -0.300 19333 508 1 6 . 1 1 10 10 TYR CB C 10 33.060 33.060 39.021 -5.961 19333 509 1 6 . 1 1 11 11 LEU N N 11 123.240 123.240 120.024 3.216 19333 510 1 6 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.784 -2.234 19333 511 1 6 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.779 0.411 19333 512 1 6 . 1 1 11 11 LEU H H 11 8.290 8.290 8.207 0.083 19333 513 1 6 . 1 1 12 12 ALA N N 12 123.710 123.710 119.713 3.997 19333 514 1 6 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.742 -2.132 19333 515 1 6 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.703 0.297 19333 516 1 6 . 1 1 12 12 ALA H H 12 8.040 8.040 8.122 -0.082 19333 517 1 6 . 1 1 13 13 LEU N N 13 120.350 120.350 119.930 0.420 19333 518 1 6 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.845 -1.375 19333 519 1 6 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.807 0.633 19333 520 1 6 . 1 1 13 13 LEU H H 13 7.950 7.950 7.585 0.365 19333 521 1 6 . 1 1 14 14 ALA N N 14 123.150 123.150 119.615 3.535 19333 522 1 6 . 1 1 14 14 ALA CA C 14 52.730 52.730 52.713 0.017 19333 523 1 6 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.515 0.515 19333 524 1 6 . 1 1 14 14 ALA H H 14 8.080 8.080 7.857 0.223 19333 525 1 6 . 1 1 15 15 ALA N N 15 120.980 120.980 121.196 -0.216 19333 526 1 6 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.502 -0.192 19333 527 1 6 . 1 1 15 15 ALA CB C 15 19.290 19.290 20.533 -1.243 19333 528 1 6 . 1 1 15 15 ALA H H 15 7.910 7.910 7.503 0.407 19333 529 1 6 . 1 1 16 16 LEU N N 16 119.930 119.930 118.570 1.360 19333 530 1 6 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.125 -0.205 19333 531 1 6 . 1 1 16 16 LEU CB C 16 42.680 42.680 45.135 -2.455 19333 532 1 6 . 1 1 16 16 LEU H H 16 7.930 7.930 7.788 0.142 19333 533 1 6 . 1 1 17 17 ILE N N 17 120.950 120.950 127.812 -6.862 19333 534 1 6 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.602 -1.142 19333 535 1 6 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.689 1.191 19333 536 1 6 . 1 1 17 17 ILE H H 17 7.890 7.890 8.459 -0.569 19333 537 1 6 . 1 1 18 18 LYS N N 18 126.800 126.800 130.109 -3.309 19333 538 1 6 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.903 0.157 19333 539 1 6 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.595 -0.575 19333 540 1 6 . 1 1 18 18 LYS H H 18 8.290 8.290 8.381 -0.091 19333 541 1 6 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.477 -0.237 19333 542 1 6 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.117 1.173 19333 543 1 6 . 1 1 20 20 LYS N N 20 123.270 123.270 120.879 2.391 19333 544 1 6 . 1 1 20 20 LYS CA C 20 52.670 52.670 54.722 -2.052 19333 545 1 6 . 1 1 20 20 LYS CB C 20 41.780 41.780 34.845 6.935 19333 546 1 6 . 1 1 20 20 LYS H H 20 8.280 8.280 7.702 0.578 19333 547 1 6 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.647 7.144 19333 548 1 6 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.988 0.602 19333 549 1 6 . 1 1 22 22 ILE N N 22 122.790 122.790 122.408 0.382 19333 550 1 6 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.492 -3.321 19333 551 1 6 . 1 1 22 22 ILE H H 22 8.340 8.340 8.248 0.092 19333 552 1 6 . 1 1 23 23 LYS N N 23 124.810 124.810 125.793 -0.983 19333 553 1 6 . 1 1 23 23 LYS H H 23 8.330 8.330 8.180 0.150 19333 554 1 6 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.947 -1.798 19333 555 1 6 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.953 0.267 19333 556 1 6 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.287 -4.177 19333 557 1 6 . 1 1 26 26 LEU N N 26 121.710 121.710 122.377 -0.667 19333 558 1 6 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.700 3.260 19333 559 1 6 . 1 1 26 26 LEU CB C 26 32.940 32.940 40.769 -7.829 19333 560 1 6 . 1 1 26 26 LEU H H 26 8.400 8.400 8.107 0.293 19333 561 1 6 . 1 1 27 27 PRO CA C 27 62.730 62.730 65.027 -2.297 19333 562 1 6 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.148 1.262 19333 563 1 6 . 1 1 28 28 SER N N 28 115.780 115.780 112.534 3.246 19333 564 1 6 . 1 1 28 28 SER CA C 28 58.020 58.020 60.242 -2.222 19333 565 1 6 . 1 1 28 28 SER CB C 28 64.150 64.150 63.452 0.698 19333 566 1 6 . 1 1 28 28 SER H H 28 8.340 8.340 8.252 0.088 19333 567 1 6 . 1 1 29 29 VAL N N 29 121.980 121.980 120.988 0.992 19333 568 1 6 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.913 0.247 19333 569 1 6 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.614 -0.684 19333 570 1 6 . 1 1 29 29 VAL H H 29 8.120 8.120 7.465 0.655 19333 571 1 6 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.858 0.242 19333 572 1 6 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.505 0.625 19333 573 1 6 . 1 1 31 31 LYS N N 31 112.500 112.500 121.552 -9.052 19333 574 1 6 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.356 1.504 19333 575 1 6 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.334 -6.834 19333 576 1 6 . 1 1 31 31 LYS H H 31 7.820 7.820 8.009 -0.189 19333 577 1 6 . 1 1 32 32 LEU N N 32 119.340 119.340 120.162 -0.822 19333 578 1 6 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.620 -1.720 19333 579 1 6 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.134 -3.274 19333 580 1 6 . 1 1 32 32 LEU H H 32 8.090 8.090 8.422 -0.332 19333 581 1 6 . 1 1 33 33 THR N N 33 114.030 114.030 117.278 -3.248 19333 582 1 6 . 1 1 33 33 THR CA C 33 61.510 61.510 61.171 0.339 19333 583 1 6 . 1 1 33 33 THR CB C 33 69.990 69.990 70.431 -0.441 19333 584 1 6 . 1 1 33 33 THR H H 33 8.030 8.030 8.242 -0.212 19333 585 1 6 . 1 1 34 34 GLU N N 34 123.520 123.520 120.592 2.928 19333 586 1 6 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.791 -0.081 19333 587 1 6 . 1 1 34 34 GLU CB C 34 30.860 30.860 31.768 -0.908 19333 588 1 6 . 1 1 34 34 GLU H H 34 8.360 8.360 8.510 -0.150 19333 589 1 6 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.370 3.050 19333 590 1 6 . 1 1 35 35 ASP CB C 35 38.800 38.800 41.959 -3.159 19333 591 1 6 . 1 1 36 36 ARG N N 36 120.190 120.190 117.724 2.466 19333 592 1 6 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.639 0.341 19333 593 1 6 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.320 -2.820 19333 594 1 6 . 1 1 36 36 ARG H H 36 8.030 8.030 8.359 -0.329 19333 595 1 7 . 1 1 7 7 SER N N 7 115.710 115.710 117.856 -2.146 19333 596 1 7 . 1 1 7 7 SER CA C 7 58.270 58.270 60.421 -2.151 19333 597 1 7 . 1 1 7 7 SER CB C 7 64.320 64.320 63.114 1.206 19333 598 1 7 . 1 1 7 7 SER H H 7 8.190 8.190 8.151 0.039 19333 599 1 7 . 1 1 8 8 LEU N N 8 122.870 122.870 121.570 1.300 19333 600 1 7 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.317 -1.977 19333 601 1 7 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.337 1.313 19333 602 1 7 . 1 1 8 8 LEU H H 8 8.030 8.030 8.290 -0.260 19333 603 1 7 . 1 1 9 9 GLN N N 9 120.070 120.070 118.038 2.032 19333 604 1 7 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.585 -2.195 19333 605 1 7 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.389 1.011 19333 606 1 7 . 1 1 9 9 GLN H H 9 8.270 8.270 8.163 0.107 19333 607 1 7 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.361 -7.301 19333 608 1 7 . 1 1 11 11 LEU N N 11 123.240 123.240 120.098 3.142 19333 609 1 7 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.859 -2.309 19333 610 1 7 . 1 1 11 11 LEU CB C 11 42.190 42.190 42.029 0.161 19333 611 1 7 . 1 1 11 11 LEU H H 11 8.290 8.290 8.337 -0.047 19333 612 1 7 . 1 1 12 12 ALA N N 12 123.710 123.710 119.835 3.875 19333 613 1 7 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.542 -1.932 19333 614 1 7 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.799 0.202 19333 615 1 7 . 1 1 12 12 ALA H H 12 8.040 8.040 8.003 0.037 19333 616 1 7 . 1 1 13 13 LEU N N 13 120.350 120.350 119.088 1.262 19333 617 1 7 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.992 -1.522 19333 618 1 7 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.694 0.745 19333 619 1 7 . 1 1 13 13 LEU H H 13 7.950 7.950 7.776 0.174 19333 620 1 7 . 1 1 14 14 ALA N N 14 123.150 123.150 119.609 3.541 19333 621 1 7 . 1 1 14 14 ALA CA C 14 52.730 52.730 53.231 -0.501 19333 622 1 7 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.655 0.375 19333 623 1 7 . 1 1 14 14 ALA H H 14 8.080 8.080 7.646 0.434 19333 624 1 7 . 1 1 15 15 ALA N N 15 120.980 120.980 120.968 0.012 19333 625 1 7 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.428 -0.117 19333 626 1 7 . 1 1 15 15 ALA CB C 15 19.290 19.290 20.391 -1.101 19333 627 1 7 . 1 1 15 15 ALA H H 15 7.910 7.910 7.505 0.406 19333 628 1 7 . 1 1 16 16 LEU N N 16 119.930 119.930 118.647 1.283 19333 629 1 7 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.386 -0.466 19333 630 1 7 . 1 1 16 16 LEU CB C 16 42.680 42.680 44.341 -1.661 19333 631 1 7 . 1 1 16 16 LEU H H 16 7.930 7.930 7.630 0.300 19333 632 1 7 . 1 1 17 17 ILE N N 17 120.950 120.950 127.601 -6.651 19333 633 1 7 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.507 -1.047 19333 634 1 7 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.344 1.536 19333 635 1 7 . 1 1 17 17 ILE H H 17 7.890 7.890 8.550 -0.660 19333 636 1 7 . 1 1 18 18 LYS N N 18 126.800 126.800 129.481 -2.681 19333 637 1 7 . 1 1 18 18 LYS CA C 18 54.060 54.060 54.291 -0.231 19333 638 1 7 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.305 -0.285 19333 639 1 7 . 1 1 18 18 LYS H H 18 8.290 8.290 8.047 0.243 19333 640 1 7 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.813 -0.573 19333 641 1 7 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.562 0.728 19333 642 1 7 . 1 1 20 20 LYS N N 20 123.270 123.270 120.545 2.725 19333 643 1 7 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.495 -2.825 19333 644 1 7 . 1 1 20 20 LYS CB C 20 41.780 41.780 33.759 8.021 19333 645 1 7 . 1 1 20 20 LYS H H 20 8.280 8.280 7.478 0.802 19333 646 1 7 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.826 6.964 19333 647 1 7 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.606 0.984 19333 648 1 7 . 1 1 22 22 ILE N N 22 122.790 122.790 121.694 1.096 19333 649 1 7 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.348 -3.178 19333 650 1 7 . 1 1 22 22 ILE H H 22 8.340 8.340 8.207 0.133 19333 651 1 7 . 1 1 23 23 LYS N N 23 124.810 124.810 123.414 1.396 19333 652 1 7 . 1 1 23 23 LYS H H 23 8.330 8.330 8.234 0.096 19333 653 1 7 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.990 -1.840 19333 654 1 7 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.957 0.262 19333 655 1 7 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.296 -4.186 19333 656 1 7 . 1 1 26 26 LEU N N 26 121.710 121.710 124.120 -2.410 19333 657 1 7 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.950 3.010 19333 658 1 7 . 1 1 26 26 LEU CB C 26 32.940 32.940 41.172 -8.232 19333 659 1 7 . 1 1 26 26 LEU H H 26 8.400 8.400 8.332 0.068 19333 660 1 7 . 1 1 27 27 PRO CA C 27 62.730 62.730 65.119 -2.389 19333 661 1 7 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.478 0.932 19333 662 1 7 . 1 1 28 28 SER N N 28 115.780 115.780 113.376 2.404 19333 663 1 7 . 1 1 28 28 SER CA C 28 58.020 58.020 60.108 -2.088 19333 664 1 7 . 1 1 28 28 SER CB C 28 64.150 64.150 63.353 0.797 19333 665 1 7 . 1 1 28 28 SER H H 28 8.340 8.340 8.525 -0.185 19333 666 1 7 . 1 1 29 29 VAL N N 29 121.980 121.980 117.673 4.307 19333 667 1 7 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.031 1.129 19333 668 1 7 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.790 -0.860 19333 669 1 7 . 1 1 29 29 VAL H H 29 8.120 8.120 7.545 0.575 19333 670 1 7 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.798 0.302 19333 671 1 7 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.578 0.552 19333 672 1 7 . 1 1 31 31 LYS N N 31 112.500 112.500 121.811 -9.311 19333 673 1 7 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.520 1.340 19333 674 1 7 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.123 -6.623 19333 675 1 7 . 1 1 31 31 LYS H H 31 7.820 7.820 8.089 -0.269 19333 676 1 7 . 1 1 32 32 LEU N N 32 119.340 119.340 120.328 -0.988 19333 677 1 7 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.677 -1.777 19333 678 1 7 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.123 -3.263 19333 679 1 7 . 1 1 32 32 LEU H H 32 8.090 8.090 8.442 -0.352 19333 680 1 7 . 1 1 33 33 THR N N 33 114.030 114.030 115.646 -1.616 19333 681 1 7 . 1 1 33 33 THR CA C 33 61.510 61.510 61.288 0.222 19333 682 1 7 . 1 1 33 33 THR CB C 33 69.990 69.990 69.871 0.119 19333 683 1 7 . 1 1 33 33 THR H H 33 8.030 8.030 8.093 -0.063 19333 684 1 7 . 1 1 34 34 GLU N N 34 123.520 123.520 121.303 2.217 19333 685 1 7 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.461 0.249 19333 686 1 7 . 1 1 34 34 GLU CB C 34 30.860 30.860 30.425 0.434 19333 687 1 7 . 1 1 34 34 GLU H H 34 8.360 8.360 8.469 -0.109 19333 688 1 7 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.195 3.225 19333 689 1 7 . 1 1 35 35 ASP CB C 35 38.800 38.800 41.972 -3.172 19333 690 1 7 . 1 1 36 36 ARG N N 36 120.190 120.190 117.539 2.651 19333 691 1 7 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.452 0.528 19333 692 1 7 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.246 -2.746 19333 693 1 7 . 1 1 36 36 ARG H H 36 8.030 8.030 8.256 -0.226 19333 694 1 8 . 1 1 7 7 SER N N 7 115.710 115.710 118.142 -2.432 19333 695 1 8 . 1 1 7 7 SER CA C 7 58.270 58.270 60.621 -2.351 19333 696 1 8 . 1 1 7 7 SER CB C 7 64.320 64.320 63.082 1.238 19333 697 1 8 . 1 1 7 7 SER H H 7 8.190 8.190 8.152 0.038 19333 698 1 8 . 1 1 8 8 LEU N N 8 122.870 122.870 121.561 1.309 19333 699 1 8 . 1 1 8 8 LEU CA C 8 55.340 55.340 56.911 -1.571 19333 700 1 8 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.362 1.288 19333 701 1 8 . 1 1 8 8 LEU H H 8 8.030 8.030 8.082 -0.052 19333 702 1 8 . 1 1 9 9 GLN N N 9 120.070 120.070 119.084 0.986 19333 703 1 8 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.762 -2.372 19333 704 1 8 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.494 0.906 19333 705 1 8 . 1 1 9 9 GLN H H 9 8.270 8.270 8.591 -0.322 19333 706 1 8 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.510 -7.450 19333 707 1 8 . 1 1 11 11 LEU N N 11 123.240 123.240 120.542 2.698 19333 708 1 8 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.693 -2.143 19333 709 1 8 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.789 0.401 19333 710 1 8 . 1 1 11 11 LEU H H 11 8.290 8.290 8.337 -0.047 19333 711 1 8 . 1 1 12 12 ALA N N 12 123.710 123.710 121.399 2.311 19333 712 1 8 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.751 -2.141 19333 713 1 8 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.336 0.664 19333 714 1 8 . 1 1 12 12 ALA H H 12 8.040 8.040 7.886 0.154 19333 715 1 8 . 1 1 13 13 LEU N N 13 120.350 120.350 118.921 1.429 19333 716 1 8 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.782 -1.312 19333 717 1 8 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.755 0.685 19333 718 1 8 . 1 1 13 13 LEU H H 13 7.950 7.950 7.814 0.136 19333 719 1 8 . 1 1 14 14 ALA N N 14 123.150 123.150 121.271 1.879 19333 720 1 8 . 1 1 14 14 ALA CA C 14 52.730 52.730 53.388 -0.658 19333 721 1 8 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.555 0.475 19333 722 1 8 . 1 1 14 14 ALA H H 14 8.080 8.080 7.496 0.584 19333 723 1 8 . 1 1 15 15 ALA N N 15 120.980 120.980 119.723 1.257 19333 724 1 8 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.275 0.035 19333 725 1 8 . 1 1 15 15 ALA CB C 15 19.290 19.290 19.637 -0.347 19333 726 1 8 . 1 1 15 15 ALA H H 15 7.910 7.910 7.448 0.462 19333 727 1 8 . 1 1 16 16 LEU N N 16 119.930 119.930 118.524 1.406 19333 728 1 8 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.224 -0.304 19333 729 1 8 . 1 1 16 16 LEU CB C 16 42.680 42.680 44.699 -2.019 19333 730 1 8 . 1 1 16 16 LEU H H 16 7.930 7.930 7.416 0.514 19333 731 1 8 . 1 1 17 17 ILE N N 17 120.950 120.950 127.850 -6.900 19333 732 1 8 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.427 -0.967 19333 733 1 8 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.278 1.602 19333 734 1 8 . 1 1 17 17 ILE H H 17 7.890 7.890 8.563 -0.673 19333 735 1 8 . 1 1 18 18 LYS N N 18 126.800 126.800 128.889 -2.089 19333 736 1 8 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.692 0.368 19333 737 1 8 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.655 -0.635 19333 738 1 8 . 1 1 18 18 LYS H H 18 8.290 8.290 8.047 0.243 19333 739 1 8 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.446 -0.206 19333 740 1 8 . 1 1 19 19 PRO CB C 19 32.290 32.290 30.941 1.349 19333 741 1 8 . 1 1 20 20 LYS N N 20 123.270 123.270 120.461 2.809 19333 742 1 8 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.054 -2.384 19333 743 1 8 . 1 1 20 20 LYS CB C 20 41.780 41.780 34.047 7.734 19333 744 1 8 . 1 1 20 20 LYS H H 20 8.280 8.280 7.610 0.670 19333 745 1 8 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.602 7.188 19333 746 1 8 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.685 0.905 19333 747 1 8 . 1 1 22 22 ILE N N 22 122.790 122.790 123.010 -0.220 19333 748 1 8 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.976 -3.806 19333 749 1 8 . 1 1 22 22 ILE H H 22 8.340 8.340 8.450 -0.110 19333 750 1 8 . 1 1 23 23 LYS N N 23 124.810 124.810 127.053 -2.243 19333 751 1 8 . 1 1 23 23 LYS H H 23 8.330 8.330 8.123 0.207 19333 752 1 8 . 1 1 24 24 PRO CA C 24 61.150 61.150 63.046 -1.896 19333 753 1 8 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.773 0.447 19333 754 1 8 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.127 -4.017 19333 755 1 8 . 1 1 26 26 LEU N N 26 121.710 121.710 118.894 2.816 19333 756 1 8 . 1 1 26 26 LEU CA C 26 55.960 55.960 51.903 4.057 19333 757 1 8 . 1 1 26 26 LEU CB C 26 32.940 32.940 40.948 -8.008 19333 758 1 8 . 1 1 26 26 LEU H H 26 8.400 8.400 8.368 0.032 19333 759 1 8 . 1 1 27 27 PRO CA C 27 62.730 62.730 64.677 -1.947 19333 760 1 8 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.292 1.118 19333 761 1 8 . 1 1 28 28 SER N N 28 115.780 115.780 113.878 1.902 19333 762 1 8 . 1 1 28 28 SER CA C 28 58.020 58.020 59.449 -1.429 19333 763 1 8 . 1 1 28 28 SER CB C 28 64.150 64.150 63.294 0.856 19333 764 1 8 . 1 1 28 28 SER H H 28 8.340 8.340 8.349 -0.009 19333 765 1 8 . 1 1 29 29 VAL N N 29 121.980 121.980 119.859 2.121 19333 766 1 8 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.973 0.187 19333 767 1 8 . 1 1 29 29 VAL CB C 29 32.930 32.930 32.978 -0.048 19333 768 1 8 . 1 1 29 29 VAL H H 29 8.120 8.120 7.560 0.560 19333 769 1 8 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.872 0.228 19333 770 1 8 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.375 0.755 19333 771 1 8 . 1 1 31 31 LYS N N 31 112.500 112.500 121.565 -9.065 19333 772 1 8 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.397 1.463 19333 773 1 8 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.238 -6.738 19333 774 1 8 . 1 1 31 31 LYS H H 31 7.820 7.820 8.008 -0.188 19333 775 1 8 . 1 1 32 32 LEU N N 32 119.340 119.340 119.923 -0.583 19333 776 1 8 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.781 -1.881 19333 777 1 8 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.228 -3.368 19333 778 1 8 . 1 1 32 32 LEU H H 32 8.090 8.090 8.460 -0.370 19333 779 1 8 . 1 1 33 33 THR N N 33 114.030 114.030 115.741 -1.711 19333 780 1 8 . 1 1 33 33 THR CA C 33 61.510 61.510 61.381 0.129 19333 781 1 8 . 1 1 33 33 THR CB C 33 69.990 69.990 70.556 -0.567 19333 782 1 8 . 1 1 33 33 THR H H 33 8.030 8.030 8.257 -0.227 19333 783 1 8 . 1 1 34 34 GLU N N 34 123.520 123.520 121.033 2.487 19333 784 1 8 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.940 -0.230 19333 785 1 8 . 1 1 34 34 GLU CB C 34 30.860 30.860 30.868 -0.008 19333 786 1 8 . 1 1 34 34 GLU H H 34 8.360 8.360 8.327 0.033 19333 787 1 8 . 1 1 35 35 ASP CA C 35 58.420 58.420 54.767 3.653 19333 788 1 8 . 1 1 35 35 ASP CB C 35 38.800 38.800 41.321 -2.521 19333 789 1 8 . 1 1 36 36 ARG N N 36 120.190 120.190 117.530 2.660 19333 790 1 8 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.485 0.495 19333 791 1 8 . 1 1 36 36 ARG CB C 36 29.500 29.500 31.902 -2.402 19333 792 1 8 . 1 1 36 36 ARG H H 36 8.030 8.030 8.080 -0.050 19333 793 1 9 . 1 1 7 7 SER N N 7 115.710 115.710 117.607 -1.897 19333 794 1 9 . 1 1 7 7 SER CA C 7 58.270 58.270 60.550 -2.280 19333 795 1 9 . 1 1 7 7 SER CB C 7 64.320 64.320 63.115 1.205 19333 796 1 9 . 1 1 7 7 SER H H 7 8.190 8.190 8.174 0.016 19333 797 1 9 . 1 1 8 8 LEU N N 8 122.870 122.870 122.319 0.551 19333 798 1 9 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.152 -1.812 19333 799 1 9 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.299 1.351 19333 800 1 9 . 1 1 8 8 LEU H H 8 8.030 8.030 8.042 -0.012 19333 801 1 9 . 1 1 9 9 GLN N N 9 120.070 120.070 117.839 2.231 19333 802 1 9 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.846 -2.456 19333 803 1 9 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.405 0.995 19333 804 1 9 . 1 1 9 9 GLN H H 9 8.270 8.270 8.666 -0.396 19333 805 1 9 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.737 -7.677 19333 806 1 9 . 1 1 11 11 LEU N N 11 123.240 123.240 119.908 3.332 19333 807 1 9 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.941 -2.391 19333 808 1 9 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.932 0.258 19333 809 1 9 . 1 1 11 11 LEU H H 11 8.290 8.290 8.391 -0.101 19333 810 1 9 . 1 1 12 12 ALA N N 12 123.710 123.710 119.986 3.724 19333 811 1 9 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.833 -2.223 19333 812 1 9 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.974 0.026 19333 813 1 9 . 1 1 12 12 ALA H H 12 8.040 8.040 7.912 0.128 19333 814 1 9 . 1 1 13 13 LEU N N 13 120.350 120.350 119.730 0.620 19333 815 1 9 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.719 -1.249 19333 816 1 9 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.640 0.800 19333 817 1 9 . 1 1 13 13 LEU H H 13 7.950 7.950 7.585 0.365 19333 818 1 9 . 1 1 14 14 ALA N N 14 123.150 123.150 119.282 3.868 19333 819 1 9 . 1 1 14 14 ALA CA C 14 52.730 52.730 52.639 0.091 19333 820 1 9 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.553 0.477 19333 821 1 9 . 1 1 14 14 ALA H H 14 8.080 8.080 7.922 0.158 19333 822 1 9 . 1 1 15 15 ALA N N 15 120.980 120.980 121.228 -0.248 19333 823 1 9 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.510 -0.200 19333 824 1 9 . 1 1 15 15 ALA CB C 15 19.290 19.290 20.785 -1.495 19333 825 1 9 . 1 1 15 15 ALA H H 15 7.910 7.910 7.309 0.601 19333 826 1 9 . 1 1 16 16 LEU N N 16 119.930 119.930 120.908 -0.978 19333 827 1 9 . 1 1 16 16 LEU CA C 16 54.920 54.920 54.696 0.224 19333 828 1 9 . 1 1 16 16 LEU CB C 16 42.680 42.680 44.825 -2.145 19333 829 1 9 . 1 1 16 16 LEU H H 16 7.930 7.930 8.064 -0.134 19333 830 1 9 . 1 1 17 17 ILE N N 17 120.950 120.950 125.130 -4.180 19333 831 1 9 . 1 1 17 17 ILE CA C 17 60.460 60.460 62.115 -1.655 19333 832 1 9 . 1 1 17 17 ILE CB C 17 38.880 38.880 38.131 0.749 19333 833 1 9 . 1 1 17 17 ILE H H 17 7.890 7.890 8.293 -0.403 19333 834 1 9 . 1 1 18 18 LYS N N 18 126.800 126.800 130.717 -3.917 19333 835 1 9 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.873 0.187 19333 836 1 9 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.932 -0.912 19333 837 1 9 . 1 1 18 18 LYS H H 18 8.290 8.290 8.645 -0.355 19333 838 1 9 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.612 -0.372 19333 839 1 9 . 1 1 19 19 PRO CB C 19 32.290 32.290 30.928 1.362 19333 840 1 9 . 1 1 20 20 LYS N N 20 123.270 123.270 120.400 2.870 19333 841 1 9 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.457 -2.787 19333 842 1 9 . 1 1 20 20 LYS CB C 20 41.780 41.780 33.572 8.208 19333 843 1 9 . 1 1 20 20 LYS H H 20 8.280 8.280 7.707 0.573 19333 844 1 9 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.597 7.193 19333 845 1 9 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.901 0.689 19333 846 1 9 . 1 1 22 22 ILE N N 22 122.790 122.790 120.647 2.143 19333 847 1 9 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.332 -3.162 19333 848 1 9 . 1 1 22 22 ILE H H 22 8.340 8.340 8.178 0.162 19333 849 1 9 . 1 1 23 23 LYS N N 23 124.810 124.810 122.095 2.715 19333 850 1 9 . 1 1 23 23 LYS H H 23 8.330 8.330 8.235 0.095 19333 851 1 9 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.798 -1.648 19333 852 1 9 . 1 1 24 24 PRO CB C 24 31.220 31.220 31.030 0.190 19333 853 1 9 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.213 -4.103 19333 854 1 9 . 1 1 26 26 LEU N N 26 121.710 121.710 121.990 -0.280 19333 855 1 9 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.630 3.330 19333 856 1 9 . 1 1 26 26 LEU CB C 26 32.940 32.940 40.837 -7.897 19333 857 1 9 . 1 1 26 26 LEU H H 26 8.400 8.400 8.441 -0.041 19333 858 1 9 . 1 1 27 27 PRO CA C 27 62.730 62.730 65.021 -2.291 19333 859 1 9 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.146 1.264 19333 860 1 9 . 1 1 28 28 SER N N 28 115.780 115.780 112.445 3.335 19333 861 1 9 . 1 1 28 28 SER CA C 28 58.020 58.020 60.151 -2.131 19333 862 1 9 . 1 1 28 28 SER CB C 28 64.150 64.150 63.473 0.677 19333 863 1 9 . 1 1 28 28 SER H H 28 8.340 8.340 8.317 0.023 19333 864 1 9 . 1 1 29 29 VAL N N 29 121.980 121.980 121.019 0.961 19333 865 1 9 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.886 0.273 19333 866 1 9 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.716 -0.786 19333 867 1 9 . 1 1 29 29 VAL H H 29 8.120 8.120 7.512 0.608 19333 868 1 9 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.878 0.222 19333 869 1 9 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.600 0.530 19333 870 1 9 . 1 1 31 31 LYS N N 31 112.500 112.500 121.577 -9.077 19333 871 1 9 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.417 1.443 19333 872 1 9 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.423 -6.923 19333 873 1 9 . 1 1 31 31 LYS H H 31 7.820 7.820 8.055 -0.235 19333 874 1 9 . 1 1 32 32 LEU N N 32 119.340 119.340 119.282 0.058 19333 875 1 9 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.344 -1.444 19333 876 1 9 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.786 -3.926 19333 877 1 9 . 1 1 32 32 LEU H H 32 8.090 8.090 8.388 -0.298 19333 878 1 9 . 1 1 33 33 THR N N 33 114.030 114.030 115.744 -1.714 19333 879 1 9 . 1 1 33 33 THR CA C 33 61.510 61.510 61.395 0.115 19333 880 1 9 . 1 1 33 33 THR CB C 33 69.990 69.990 69.668 0.322 19333 881 1 9 . 1 1 33 33 THR H H 33 8.030 8.030 7.926 0.104 19333 882 1 9 . 1 1 34 34 GLU N N 34 123.520 123.520 120.294 3.226 19333 883 1 9 . 1 1 34 34 GLU CA C 34 55.710 55.710 56.119 -0.409 19333 884 1 9 . 1 1 34 34 GLU CB C 34 30.860 30.860 31.767 -0.907 19333 885 1 9 . 1 1 34 34 GLU H H 34 8.360 8.360 8.497 -0.137 19333 886 1 9 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.172 3.248 19333 887 1 9 . 1 1 35 35 ASP CB C 35 38.800 38.800 42.720 -3.920 19333 888 1 9 . 1 1 36 36 ARG N N 36 120.190 120.190 117.678 2.512 19333 889 1 9 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.577 0.403 19333 890 1 9 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.658 -3.158 19333 891 1 9 . 1 1 36 36 ARG H H 36 8.030 8.030 7.942 0.088 19333 892 1 10 . 1 1 7 7 SER N N 7 115.710 115.710 117.875 -2.165 19333 893 1 10 . 1 1 7 7 SER CA C 7 58.270 58.270 60.491 -2.221 19333 894 1 10 . 1 1 7 7 SER CB C 7 64.320 64.320 63.117 1.203 19333 895 1 10 . 1 1 7 7 SER H H 7 8.190 8.190 8.159 0.031 19333 896 1 10 . 1 1 8 8 LEU N N 8 122.870 122.870 122.212 0.658 19333 897 1 10 . 1 1 8 8 LEU CA C 8 55.340 55.340 56.986 -1.646 19333 898 1 10 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.286 1.364 19333 899 1 10 . 1 1 8 8 LEU H H 8 8.030 8.030 8.043 -0.013 19333 900 1 10 . 1 1 9 9 GLN N N 9 120.070 120.070 118.308 1.762 19333 901 1 10 . 1 1 9 9 GLN CA C 9 56.390 56.390 59.001 -2.611 19333 902 1 10 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.350 1.050 19333 903 1 10 . 1 1 9 9 GLN H H 9 8.270 8.270 8.638 -0.368 19333 904 1 10 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.328 -7.268 19333 905 1 10 . 1 1 11 11 LEU N N 11 123.240 123.240 120.718 2.522 19333 906 1 10 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.731 -2.181 19333 907 1 10 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.641 0.549 19333 908 1 10 . 1 1 11 11 LEU H H 11 8.290 8.290 8.444 -0.154 19333 909 1 10 . 1 1 12 12 ALA N N 12 123.710 123.710 121.323 2.387 19333 910 1 10 . 1 1 12 12 ALA CA C 12 52.610 52.610 55.226 -2.616 19333 911 1 10 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.198 0.802 19333 912 1 10 . 1 1 12 12 ALA H H 12 8.040 8.040 8.191 -0.151 19333 913 1 10 . 1 1 13 13 LEU N N 13 120.350 120.350 119.497 0.853 19333 914 1 10 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.637 -1.167 19333 915 1 10 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.622 0.818 19333 916 1 10 . 1 1 13 13 LEU H H 13 7.950 7.950 7.733 0.217 19333 917 1 10 . 1 1 14 14 ALA N N 14 123.150 123.150 120.224 2.926 19333 918 1 10 . 1 1 14 14 ALA CA C 14 52.730 52.730 53.242 -0.512 19333 919 1 10 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.436 0.594 19333 920 1 10 . 1 1 14 14 ALA H H 14 8.080 8.080 7.794 0.286 19333 921 1 10 . 1 1 15 15 ALA N N 15 120.980 120.980 120.869 0.111 19333 922 1 10 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.639 -0.328 19333 923 1 10 . 1 1 15 15 ALA CB C 15 19.290 19.290 20.083 -0.793 19333 924 1 10 . 1 1 15 15 ALA H H 15 7.910 7.910 7.357 0.553 19333 925 1 10 . 1 1 16 16 LEU N N 16 119.930 119.930 119.375 0.555 19333 926 1 10 . 1 1 16 16 LEU CA C 16 54.920 54.920 54.852 0.068 19333 927 1 10 . 1 1 16 16 LEU CB C 16 42.680 42.680 45.255 -2.575 19333 928 1 10 . 1 1 16 16 LEU H H 16 7.930 7.930 7.865 0.065 19333 929 1 10 . 1 1 17 17 ILE N N 17 120.950 120.950 124.560 -3.610 19333 930 1 10 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.647 -1.187 19333 931 1 10 . 1 1 17 17 ILE CB C 17 38.880 38.880 38.294 0.586 19333 932 1 10 . 1 1 17 17 ILE H H 17 7.890 7.890 8.257 -0.367 19333 933 1 10 . 1 1 18 18 LYS N N 18 126.800 126.800 130.377 -3.577 19333 934 1 10 . 1 1 18 18 LYS CA C 18 54.060 54.060 54.219 -0.159 19333 935 1 10 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.660 -0.640 19333 936 1 10 . 1 1 18 18 LYS H H 18 8.290 8.290 8.574 -0.284 19333 937 1 10 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.812 -0.572 19333 938 1 10 . 1 1 19 19 PRO CB C 19 32.290 32.290 32.103 0.187 19333 939 1 10 . 1 1 20 20 LYS N N 20 123.270 123.270 120.182 3.088 19333 940 1 10 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.275 -2.604 19333 941 1 10 . 1 1 20 20 LYS CB C 20 41.780 41.780 33.565 8.215 19333 942 1 10 . 1 1 20 20 LYS H H 20 8.280 8.280 7.865 0.415 19333 943 1 10 . 1 1 21 21 GLN CA C 21 61.790 61.790 55.053 6.737 19333 944 1 10 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.501 1.089 19333 945 1 10 . 1 1 22 22 ILE N N 22 122.790 122.790 121.053 1.737 19333 946 1 10 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.183 -3.013 19333 947 1 10 . 1 1 22 22 ILE H H 22 8.340 8.340 8.348 -0.008 19333 948 1 10 . 1 1 23 23 LYS N N 23 124.810 124.810 122.026 2.784 19333 949 1 10 . 1 1 23 23 LYS H H 23 8.330 8.330 8.283 0.047 19333 950 1 10 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.820 -1.670 19333 951 1 10 . 1 1 24 24 PRO CB C 24 31.220 31.220 31.071 0.149 19333 952 1 10 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.251 -4.141 19333 953 1 10 . 1 1 26 26 LEU N N 26 121.710 121.710 122.131 -0.421 19333 954 1 10 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.553 3.406 19333 955 1 10 . 1 1 26 26 LEU CB C 26 32.940 32.940 41.160 -8.220 19333 956 1 10 . 1 1 26 26 LEU H H 26 8.400 8.400 8.061 0.339 19333 957 1 10 . 1 1 27 27 PRO CA C 27 62.730 62.730 65.044 -2.314 19333 958 1 10 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.306 1.104 19333 959 1 10 . 1 1 28 28 SER N N 28 115.780 115.780 113.825 1.955 19333 960 1 10 . 1 1 28 28 SER CA C 28 58.020 58.020 59.790 -1.770 19333 961 1 10 . 1 1 28 28 SER CB C 28 64.150 64.150 63.449 0.702 19333 962 1 10 . 1 1 28 28 SER H H 28 8.340 8.340 8.319 0.021 19333 963 1 10 . 1 1 29 29 VAL N N 29 121.980 121.980 117.229 4.751 19333 964 1 10 . 1 1 29 29 VAL CA C 29 62.160 62.160 60.503 1.657 19333 965 1 10 . 1 1 29 29 VAL CB C 29 32.930 32.930 34.490 -1.560 19333 966 1 10 . 1 1 29 29 VAL H H 29 8.120 8.120 7.661 0.459 19333 967 1 10 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.729 0.371 19333 968 1 10 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.478 0.652 19333 969 1 10 . 1 1 31 31 LYS N N 31 112.500 112.500 121.690 -9.190 19333 970 1 10 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.427 1.433 19333 971 1 10 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.152 -6.652 19333 972 1 10 . 1 1 31 31 LYS H H 31 7.820 7.820 7.991 -0.171 19333 973 1 10 . 1 1 32 32 LEU N N 32 119.340 119.340 120.627 -1.287 19333 974 1 10 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.570 -1.670 19333 975 1 10 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.151 -3.292 19333 976 1 10 . 1 1 32 32 LEU H H 32 8.090 8.090 8.426 -0.336 19333 977 1 10 . 1 1 33 33 THR N N 33 114.030 114.030 115.637 -1.607 19333 978 1 10 . 1 1 33 33 THR CA C 33 61.510 61.510 61.323 0.187 19333 979 1 10 . 1 1 33 33 THR CB C 33 69.990 69.990 69.941 0.049 19333 980 1 10 . 1 1 33 33 THR H H 33 8.030 8.030 8.252 -0.222 19333 981 1 10 . 1 1 34 34 GLU N N 34 123.520 123.520 121.516 2.004 19333 982 1 10 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.417 0.293 19333 983 1 10 . 1 1 34 34 GLU CB C 34 30.860 30.860 30.756 0.104 19333 984 1 10 . 1 1 34 34 GLU H H 34 8.360 8.360 8.485 -0.125 19333 985 1 10 . 1 1 35 35 ASP CA C 35 58.420 58.420 54.983 3.437 19333 986 1 10 . 1 1 35 35 ASP CB C 35 38.800 38.800 42.450 -3.650 19333 987 1 10 . 1 1 36 36 ARG N N 36 120.190 120.190 117.314 2.876 19333 988 1 10 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.578 0.402 19333 989 1 10 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.573 -3.073 19333 990 1 10 . 1 1 36 36 ARG H H 36 8.030 8.030 7.915 0.115 19333 991 1 11 . 1 1 7 7 SER N N 7 115.710 115.710 117.474 -1.764 19333 992 1 11 . 1 1 7 7 SER CA C 7 58.270 58.270 60.535 -2.265 19333 993 1 11 . 1 1 7 7 SER CB C 7 64.320 64.320 63.094 1.226 19333 994 1 11 . 1 1 7 7 SER H H 7 8.190 8.190 8.210 -0.020 19333 995 1 11 . 1 1 8 8 LEU N N 8 122.870 122.870 122.521 0.349 19333 996 1 11 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.081 -1.741 19333 997 1 11 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.233 1.417 19333 998 1 11 . 1 1 8 8 LEU H H 8 8.030 8.030 8.071 -0.041 19333 999 1 11 . 1 1 9 9 GLN N N 9 120.070 120.070 118.365 1.705 19333 1000 1 11 . 1 1 9 9 GLN CA C 9 56.390 56.390 59.175 -2.785 19333 1001 1 11 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.302 1.098 19333 1002 1 11 . 1 1 9 9 GLN H H 9 8.270 8.270 8.638 -0.368 19333 1003 1 11 . 1 1 10 10 TYR CB C 10 33.060 33.060 39.983 -6.923 19333 1004 1 11 . 1 1 11 11 LEU N N 11 123.240 123.240 120.269 2.971 19333 1005 1 11 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.646 -2.096 19333 1006 1 11 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.820 0.370 19333 1007 1 11 . 1 1 11 11 LEU H H 11 8.290 8.290 8.353 -0.063 19333 1008 1 11 . 1 1 12 12 ALA N N 12 123.710 123.710 121.171 2.539 19333 1009 1 11 . 1 1 12 12 ALA CA C 12 52.610 52.610 55.113 -2.503 19333 1010 1 11 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.290 0.710 19333 1011 1 11 . 1 1 12 12 ALA H H 12 8.040 8.040 8.375 -0.335 19333 1012 1 11 . 1 1 13 13 LEU N N 13 120.350 120.350 119.366 0.984 19333 1013 1 11 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.751 -1.281 19333 1014 1 11 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.665 0.775 19333 1015 1 11 . 1 1 13 13 LEU H H 13 7.950 7.950 7.791 0.159 19333 1016 1 11 . 1 1 14 14 ALA N N 14 123.150 123.150 120.035 3.115 19333 1017 1 11 . 1 1 14 14 ALA CA C 14 52.730 52.730 52.924 -0.194 19333 1018 1 11 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.738 0.292 19333 1019 1 11 . 1 1 14 14 ALA H H 14 8.080 8.080 7.728 0.352 19333 1020 1 11 . 1 1 15 15 ALA N N 15 120.980 120.980 121.224 -0.244 19333 1021 1 11 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.701 -0.391 19333 1022 1 11 . 1 1 15 15 ALA CB C 15 19.290 19.290 20.282 -0.992 19333 1023 1 11 . 1 1 15 15 ALA H H 15 7.910 7.910 7.479 0.431 19333 1024 1 11 . 1 1 16 16 LEU N N 16 119.930 119.930 118.177 1.753 19333 1025 1 11 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.083 -0.163 19333 1026 1 11 . 1 1 16 16 LEU CB C 16 42.680 42.680 45.155 -2.475 19333 1027 1 11 . 1 1 16 16 LEU H H 16 7.930 7.930 7.788 0.142 19333 1028 1 11 . 1 1 17 17 ILE N N 17 120.950 120.950 127.382 -6.432 19333 1029 1 11 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.768 -1.308 19333 1030 1 11 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.665 1.215 19333 1031 1 11 . 1 1 17 17 ILE H H 17 7.890 7.890 8.498 -0.608 19333 1032 1 11 . 1 1 18 18 LYS N N 18 126.800 126.800 129.728 -2.928 19333 1033 1 11 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.824 0.236 19333 1034 1 11 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.766 -0.746 19333 1035 1 11 . 1 1 18 18 LYS H H 18 8.290 8.290 8.361 -0.071 19333 1036 1 11 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.510 -0.270 19333 1037 1 11 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.014 1.276 19333 1038 1 11 . 1 1 20 20 LYS N N 20 123.270 123.270 120.539 2.731 19333 1039 1 11 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.068 -2.398 19333 1040 1 11 . 1 1 20 20 LYS CB C 20 41.780 41.780 34.238 7.542 19333 1041 1 11 . 1 1 20 20 LYS H H 20 8.280 8.280 7.568 0.712 19333 1042 1 11 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.943 6.847 19333 1043 1 11 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.327 1.263 19333 1044 1 11 . 1 1 22 22 ILE N N 22 122.790 122.790 124.038 -1.248 19333 1045 1 11 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.888 -3.718 19333 1046 1 11 . 1 1 22 22 ILE H H 22 8.340 8.340 8.364 -0.024 19333 1047 1 11 . 1 1 23 23 LYS N N 23 124.810 124.810 128.053 -3.243 19333 1048 1 11 . 1 1 23 23 LYS H H 23 8.330 8.330 8.036 0.294 19333 1049 1 11 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.975 -1.825 19333 1050 1 11 . 1 1 24 24 PRO CB C 24 31.220 31.220 31.020 0.200 19333 1051 1 11 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.112 -4.002 19333 1052 1 11 . 1 1 26 26 LEU N N 26 121.710 121.710 122.602 -0.892 19333 1053 1 11 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.766 3.194 19333 1054 1 11 . 1 1 26 26 LEU CB C 26 32.940 32.940 40.611 -7.671 19333 1055 1 11 . 1 1 26 26 LEU H H 26 8.400 8.400 8.015 0.385 19333 1056 1 11 . 1 1 27 27 PRO CA C 27 62.730 62.730 65.062 -2.332 19333 1057 1 11 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.618 0.792 19333 1058 1 11 . 1 1 28 28 SER N N 28 115.780 115.780 113.677 2.103 19333 1059 1 11 . 1 1 28 28 SER CA C 28 58.020 58.020 59.516 -1.496 19333 1060 1 11 . 1 1 28 28 SER CB C 28 64.150 64.150 63.322 0.828 19333 1061 1 11 . 1 1 28 28 SER H H 28 8.340 8.340 7.942 0.398 19333 1062 1 11 . 1 1 29 29 VAL N N 29 121.980 121.980 119.461 2.519 19333 1063 1 11 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.438 0.722 19333 1064 1 11 . 1 1 29 29 VAL CB C 29 32.930 32.930 32.987 -0.057 19333 1065 1 11 . 1 1 29 29 VAL H H 29 8.120 8.120 7.505 0.615 19333 1066 1 11 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.831 0.268 19333 1067 1 11 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.558 0.572 19333 1068 1 11 . 1 1 31 31 LYS N N 31 112.500 112.500 121.661 -9.161 19333 1069 1 11 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.391 1.469 19333 1070 1 11 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.283 -6.784 19333 1071 1 11 . 1 1 31 31 LYS H H 31 7.820 7.820 8.044 -0.224 19333 1072 1 11 . 1 1 32 32 LEU N N 32 119.340 119.340 120.802 -1.462 19333 1073 1 11 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.761 -1.861 19333 1074 1 11 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.197 -3.337 19333 1075 1 11 . 1 1 32 32 LEU H H 32 8.090 8.090 8.453 -0.363 19333 1076 1 11 . 1 1 33 33 THR N N 33 114.030 114.030 117.044 -3.014 19333 1077 1 11 . 1 1 33 33 THR CA C 33 61.510 61.510 61.168 0.342 19333 1078 1 11 . 1 1 33 33 THR CB C 33 69.990 69.990 70.318 -0.328 19333 1079 1 11 . 1 1 33 33 THR H H 33 8.030 8.030 8.285 -0.255 19333 1080 1 11 . 1 1 34 34 GLU N N 34 123.520 123.520 120.730 2.790 19333 1081 1 11 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.982 -0.272 19333 1082 1 11 . 1 1 34 34 GLU CB C 34 30.860 30.860 31.315 -0.455 19333 1083 1 11 . 1 1 34 34 GLU H H 34 8.360 8.360 8.544 -0.184 19333 1084 1 11 . 1 1 35 35 ASP CA C 35 58.420 58.420 54.973 3.447 19333 1085 1 11 . 1 1 35 35 ASP CB C 35 38.800 38.800 41.859 -3.059 19333 1086 1 11 . 1 1 36 36 ARG N N 36 120.190 120.190 117.125 3.065 19333 1087 1 11 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.411 0.569 19333 1088 1 11 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.462 -2.962 19333 1089 1 11 . 1 1 36 36 ARG H H 36 8.030 8.030 8.034 -0.004 19333 1090 1 12 . 1 1 7 7 SER N N 7 115.710 115.710 117.663 -1.953 19333 1091 1 12 . 1 1 7 7 SER CA C 7 58.270 58.270 60.577 -2.307 19333 1092 1 12 . 1 1 7 7 SER CB C 7 64.320 64.320 63.131 1.189 19333 1093 1 12 . 1 1 7 7 SER H H 7 8.190 8.190 8.191 -0.001 19333 1094 1 12 . 1 1 8 8 LEU N N 8 122.870 122.870 122.384 0.486 19333 1095 1 12 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.211 -1.871 19333 1096 1 12 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.267 1.383 19333 1097 1 12 . 1 1 8 8 LEU H H 8 8.030 8.030 8.087 -0.057 19333 1098 1 12 . 1 1 9 9 GLN N N 9 120.070 120.070 117.463 2.607 19333 1099 1 12 . 1 1 9 9 GLN CA C 9 56.390 56.390 59.124 -2.734 19333 1100 1 12 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.356 1.044 19333 1101 1 12 . 1 1 9 9 GLN H H 9 8.270 8.270 8.689 -0.419 19333 1102 1 12 . 1 1 10 10 TYR CB C 10 33.060 33.060 39.867 -6.807 19333 1103 1 12 . 1 1 11 11 LEU N N 11 123.240 123.240 120.400 2.840 19333 1104 1 12 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.813 -2.263 19333 1105 1 12 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.758 0.432 19333 1106 1 12 . 1 1 11 11 LEU H H 11 8.290 8.290 8.593 -0.303 19333 1107 1 12 . 1 1 12 12 ALA N N 12 123.710 123.710 120.662 3.048 19333 1108 1 12 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.896 -2.286 19333 1109 1 12 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.389 0.612 19333 1110 1 12 . 1 1 12 12 ALA H H 12 8.040 8.040 8.156 -0.116 19333 1111 1 12 . 1 1 13 13 LEU N N 13 120.350 120.350 119.850 0.500 19333 1112 1 12 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.958 -1.488 19333 1113 1 12 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.736 0.704 19333 1114 1 12 . 1 1 13 13 LEU H H 13 7.950 7.950 7.545 0.405 19333 1115 1 12 . 1 1 14 14 ALA N N 14 123.150 123.150 120.049 3.101 19333 1116 1 12 . 1 1 14 14 ALA CA C 14 52.730 52.730 53.389 -0.659 19333 1117 1 12 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.660 0.370 19333 1118 1 12 . 1 1 14 14 ALA H H 14 8.080 8.080 7.662 0.418 19333 1119 1 12 . 1 1 15 15 ALA N N 15 120.980 120.980 120.006 0.974 19333 1120 1 12 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.952 -0.642 19333 1121 1 12 . 1 1 15 15 ALA CB C 15 19.290 19.290 19.784 -0.494 19333 1122 1 12 . 1 1 15 15 ALA H H 15 7.910 7.910 7.191 0.719 19333 1123 1 12 . 1 1 16 16 LEU N N 16 119.930 119.930 118.310 1.620 19333 1124 1 12 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.648 -0.729 19333 1125 1 12 . 1 1 16 16 LEU CB C 16 42.680 42.680 44.487 -1.807 19333 1126 1 12 . 1 1 16 16 LEU H H 16 7.930 7.930 7.470 0.460 19333 1127 1 12 . 1 1 17 17 ILE N N 17 120.950 120.950 125.299 -4.349 19333 1128 1 12 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.692 -1.232 19333 1129 1 12 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.340 1.540 19333 1130 1 12 . 1 1 17 17 ILE H H 17 7.890 7.890 8.183 -0.293 19333 1131 1 12 . 1 1 18 18 LYS N N 18 126.800 126.800 129.781 -2.981 19333 1132 1 12 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.771 0.289 19333 1133 1 12 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.415 -0.395 19333 1134 1 12 . 1 1 18 18 LYS H H 18 8.290 8.290 8.202 0.088 19333 1135 1 12 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.533 -0.293 19333 1136 1 12 . 1 1 19 19 PRO CB C 19 32.290 32.290 30.936 1.354 19333 1137 1 12 . 1 1 20 20 LYS N N 20 123.270 123.270 120.485 2.785 19333 1138 1 12 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.064 -2.394 19333 1139 1 12 . 1 1 20 20 LYS CB C 20 41.780 41.780 34.858 6.922 19333 1140 1 12 . 1 1 20 20 LYS H H 20 8.280 8.280 7.571 0.709 19333 1141 1 12 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.962 6.828 19333 1142 1 12 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.451 1.139 19333 1143 1 12 . 1 1 22 22 ILE N N 22 122.790 122.790 122.796 -0.006 19333 1144 1 12 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.644 -3.474 19333 1145 1 12 . 1 1 22 22 ILE H H 22 8.340 8.340 8.290 0.050 19333 1146 1 12 . 1 1 23 23 LYS N N 23 124.810 124.810 128.012 -3.202 19333 1147 1 12 . 1 1 23 23 LYS H H 23 8.330 8.330 8.590 -0.260 19333 1148 1 12 . 1 1 24 24 PRO CA C 24 61.150 61.150 63.017 -1.867 19333 1149 1 12 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.718 0.502 19333 1150 1 12 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.410 -4.300 19333 1151 1 12 . 1 1 26 26 LEU N N 26 121.710 121.710 123.366 -1.656 19333 1152 1 12 . 1 1 26 26 LEU CA C 26 55.960 55.960 53.122 2.838 19333 1153 1 12 . 1 1 26 26 LEU CB C 26 32.940 32.940 41.166 -8.226 19333 1154 1 12 . 1 1 26 26 LEU H H 26 8.400 8.400 8.323 0.077 19333 1155 1 12 . 1 1 27 27 PRO CA C 27 62.730 62.730 65.090 -2.360 19333 1156 1 12 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.591 0.819 19333 1157 1 12 . 1 1 28 28 SER N N 28 115.780 115.780 112.127 3.653 19333 1158 1 12 . 1 1 28 28 SER CA C 28 58.020 58.020 59.517 -1.497 19333 1159 1 12 . 1 1 28 28 SER CB C 28 64.150 64.150 63.458 0.692 19333 1160 1 12 . 1 1 28 28 SER H H 28 8.340 8.340 8.181 0.159 19333 1161 1 12 . 1 1 29 29 VAL N N 29 121.980 121.980 116.347 5.633 19333 1162 1 12 . 1 1 29 29 VAL CA C 29 62.160 62.160 60.915 1.245 19333 1163 1 12 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.234 -0.304 19333 1164 1 12 . 1 1 29 29 VAL H H 29 8.120 8.120 7.424 0.696 19333 1165 1 12 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.749 0.351 19333 1166 1 12 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.517 0.613 19333 1167 1 12 . 1 1 31 31 LYS N N 31 112.500 112.500 121.690 -9.190 19333 1168 1 12 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.428 1.432 19333 1169 1 12 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.238 -6.738 19333 1170 1 12 . 1 1 31 31 LYS H H 31 7.820 7.820 8.049 -0.229 19333 1171 1 12 . 1 1 32 32 LEU N N 32 119.340 119.340 119.965 -0.625 19333 1172 1 12 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.504 -1.604 19333 1173 1 12 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.514 -3.654 19333 1174 1 12 . 1 1 32 32 LEU H H 32 8.090 8.090 8.404 -0.314 19333 1175 1 12 . 1 1 33 33 THR N N 33 114.030 114.030 115.693 -1.663 19333 1176 1 12 . 1 1 33 33 THR CA C 33 61.510 61.510 61.713 -0.203 19333 1177 1 12 . 1 1 33 33 THR CB C 33 69.990 69.990 69.880 0.110 19333 1178 1 12 . 1 1 33 33 THR H H 33 8.030 8.030 8.433 -0.403 19333 1179 1 12 . 1 1 34 34 GLU N N 34 123.520 123.520 124.041 -0.521 19333 1180 1 12 . 1 1 34 34 GLU CA C 34 55.710 55.710 56.345 -0.635 19333 1181 1 12 . 1 1 34 34 GLU CB C 34 30.860 30.860 30.661 0.199 19333 1182 1 12 . 1 1 34 34 GLU H H 34 8.360 8.360 8.608 -0.248 19333 1183 1 12 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.019 3.401 19333 1184 1 12 . 1 1 35 35 ASP CB C 35 38.800 38.800 41.762 -2.962 19333 1185 1 12 . 1 1 36 36 ARG N N 36 120.190 120.190 117.414 2.776 19333 1186 1 12 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.505 0.475 19333 1187 1 12 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.202 -2.702 19333 1188 1 12 . 1 1 36 36 ARG H H 36 8.030 8.030 8.002 0.028 19333 1189 1 13 . 1 1 7 7 SER N N 7 115.710 115.710 117.526 -1.816 19333 1190 1 13 . 1 1 7 7 SER CA C 7 58.270 58.270 60.665 -2.395 19333 1191 1 13 . 1 1 7 7 SER CB C 7 64.320 64.320 63.066 1.254 19333 1192 1 13 . 1 1 7 7 SER H H 7 8.190 8.190 8.216 -0.026 19333 1193 1 13 . 1 1 8 8 LEU N N 8 122.870 122.870 122.342 0.528 19333 1194 1 13 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.232 -1.892 19333 1195 1 13 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.229 1.421 19333 1196 1 13 . 1 1 8 8 LEU H H 8 8.030 8.030 8.072 -0.042 19333 1197 1 13 . 1 1 9 9 GLN N N 9 120.070 120.070 118.128 1.942 19333 1198 1 13 . 1 1 9 9 GLN CA C 9 56.390 56.390 59.077 -2.687 19333 1199 1 13 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.314 1.085 19333 1200 1 13 . 1 1 9 9 GLN H H 9 8.270 8.270 8.643 -0.373 19333 1201 1 13 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.027 -6.967 19333 1202 1 13 . 1 1 11 11 LEU N N 11 123.240 123.240 120.622 2.618 19333 1203 1 13 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.731 -2.181 19333 1204 1 13 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.620 0.570 19333 1205 1 13 . 1 1 11 11 LEU H H 11 8.290 8.290 8.568 -0.278 19333 1206 1 13 . 1 1 12 12 ALA N N 12 123.710 123.710 121.287 2.423 19333 1207 1 13 . 1 1 12 12 ALA CA C 12 52.610 52.610 55.144 -2.534 19333 1208 1 13 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.185 0.815 19333 1209 1 13 . 1 1 12 12 ALA H H 12 8.040 8.040 8.159 -0.119 19333 1210 1 13 . 1 1 13 13 LEU N N 13 120.350 120.350 119.678 0.672 19333 1211 1 13 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.787 -1.317 19333 1212 1 13 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.638 0.802 19333 1213 1 13 . 1 1 13 13 LEU H H 13 7.950 7.950 7.600 0.350 19333 1214 1 13 . 1 1 14 14 ALA N N 14 123.150 123.150 120.315 2.835 19333 1215 1 13 . 1 1 14 14 ALA CA C 14 52.730 52.730 53.644 -0.914 19333 1216 1 13 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.470 0.560 19333 1217 1 13 . 1 1 14 14 ALA H H 14 8.080 8.080 7.768 0.312 19333 1218 1 13 . 1 1 15 15 ALA N N 15 120.980 120.980 120.785 0.195 19333 1219 1 13 . 1 1 15 15 ALA CA C 15 52.310 52.310 53.279 -0.969 19333 1220 1 13 . 1 1 15 15 ALA CB C 15 19.290 19.290 20.010 -0.720 19333 1221 1 13 . 1 1 15 15 ALA H H 15 7.910 7.910 7.342 0.568 19333 1222 1 13 . 1 1 16 16 LEU N N 16 119.930 119.930 119.815 0.115 19333 1223 1 13 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.148 -0.228 19333 1224 1 13 . 1 1 16 16 LEU CB C 16 42.680 42.680 44.654 -1.974 19333 1225 1 13 . 1 1 16 16 LEU H H 16 7.930 7.930 7.906 0.024 19333 1226 1 13 . 1 1 17 17 ILE N N 17 120.950 120.950 126.209 -5.259 19333 1227 1 13 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.869 -1.409 19333 1228 1 13 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.509 1.371 19333 1229 1 13 . 1 1 17 17 ILE H H 17 7.890 7.890 8.293 -0.403 19333 1230 1 13 . 1 1 18 18 LYS N N 18 126.800 126.800 130.348 -3.548 19333 1231 1 13 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.410 0.650 19333 1232 1 13 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.407 -0.387 19333 1233 1 13 . 1 1 18 18 LYS H H 18 8.290 8.290 8.327 -0.037 19333 1234 1 13 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.605 -0.365 19333 1235 1 13 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.453 0.837 19333 1236 1 13 . 1 1 20 20 LYS N N 20 123.270 123.270 121.948 1.322 19333 1237 1 13 . 1 1 20 20 LYS CA C 20 52.670 52.670 54.959 -2.288 19333 1238 1 13 . 1 1 20 20 LYS CB C 20 41.780 41.780 35.202 6.578 19333 1239 1 13 . 1 1 20 20 LYS H H 20 8.280 8.280 8.031 0.249 19333 1240 1 13 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.875 6.915 19333 1241 1 13 . 1 1 21 21 GLN CB C 21 30.590 30.590 30.111 0.479 19333 1242 1 13 . 1 1 22 22 ILE N N 22 122.790 122.790 120.614 2.176 19333 1243 1 13 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.022 -2.852 19333 1244 1 13 . 1 1 22 22 ILE H H 22 8.340 8.340 7.860 0.480 19333 1245 1 13 . 1 1 23 23 LYS N N 23 124.810 124.810 120.735 4.075 19333 1246 1 13 . 1 1 23 23 LYS H H 23 8.330 8.330 8.241 0.089 19333 1247 1 13 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.642 -1.492 19333 1248 1 13 . 1 1 24 24 PRO CB C 24 31.220 31.220 31.078 0.142 19333 1249 1 13 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.153 -4.043 19333 1250 1 13 . 1 1 26 26 LEU N N 26 121.710 121.710 125.212 -3.502 19333 1251 1 13 . 1 1 26 26 LEU CA C 26 55.960 55.960 53.058 2.902 19333 1252 1 13 . 1 1 26 26 LEU CB C 26 32.940 32.940 41.578 -8.639 19333 1253 1 13 . 1 1 26 26 LEU H H 26 8.400 8.400 8.391 0.009 19333 1254 1 13 . 1 1 27 27 PRO CA C 27 62.730 62.730 64.987 -2.257 19333 1255 1 13 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.483 0.927 19333 1256 1 13 . 1 1 28 28 SER N N 28 115.780 115.780 113.306 2.474 19333 1257 1 13 . 1 1 28 28 SER CA C 28 58.020 58.020 59.434 -1.414 19333 1258 1 13 . 1 1 28 28 SER CB C 28 64.150 64.150 63.345 0.805 19333 1259 1 13 . 1 1 28 28 SER H H 28 8.340 8.340 8.459 -0.119 19333 1260 1 13 . 1 1 29 29 VAL N N 29 121.980 121.980 121.712 0.268 19333 1261 1 13 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.547 0.613 19333 1262 1 13 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.247 -0.317 19333 1263 1 13 . 1 1 29 29 VAL H H 29 8.120 8.120 7.449 0.671 19333 1264 1 13 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.799 0.301 19333 1265 1 13 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.501 0.629 19333 1266 1 13 . 1 1 31 31 LYS N N 31 112.500 112.500 121.539 -9.039 19333 1267 1 13 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.488 1.372 19333 1268 1 13 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.118 -6.618 19333 1269 1 13 . 1 1 31 31 LYS H H 31 7.820 7.820 8.026 -0.206 19333 1270 1 13 . 1 1 32 32 LEU N N 32 119.340 119.340 120.819 -1.479 19333 1271 1 13 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.656 -1.756 19333 1272 1 13 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.270 -3.410 19333 1273 1 13 . 1 1 32 32 LEU H H 32 8.090 8.090 8.437 -0.347 19333 1274 1 13 . 1 1 33 33 THR N N 33 114.030 114.030 114.160 -0.130 19333 1275 1 13 . 1 1 33 33 THR CA C 33 61.510 61.510 60.764 0.746 19333 1276 1 13 . 1 1 33 33 THR CB C 33 69.990 69.990 70.190 -0.200 19333 1277 1 13 . 1 1 33 33 THR H H 33 8.030 8.030 8.034 -0.004 19333 1278 1 13 . 1 1 34 34 GLU N N 34 123.520 123.520 120.025 3.495 19333 1279 1 13 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.389 0.321 19333 1280 1 13 . 1 1 34 34 GLU CB C 34 30.860 30.860 31.643 -0.783 19333 1281 1 13 . 1 1 34 34 GLU H H 34 8.360 8.360 8.283 0.077 19333 1282 1 13 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.096 3.324 19333 1283 1 13 . 1 1 35 35 ASP CB C 35 38.800 38.800 42.644 -3.844 19333 1284 1 13 . 1 1 36 36 ARG N N 36 120.190 120.190 117.566 2.624 19333 1285 1 13 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.849 0.131 19333 1286 1 13 . 1 1 36 36 ARG CB C 36 29.500 29.500 33.213 -3.713 19333 1287 1 13 . 1 1 36 36 ARG H H 36 8.030 8.030 7.879 0.151 19333 1288 1 14 . 1 1 7 7 SER N N 7 115.710 115.710 117.621 -1.911 19333 1289 1 14 . 1 1 7 7 SER CA C 7 58.270 58.270 60.735 -2.465 19333 1290 1 14 . 1 1 7 7 SER CB C 7 64.320 64.320 63.003 1.317 19333 1291 1 14 . 1 1 7 7 SER H H 7 8.190 8.190 8.203 -0.013 19333 1292 1 14 . 1 1 8 8 LEU N N 8 122.870 122.870 121.290 1.580 19333 1293 1 14 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.529 -2.189 19333 1294 1 14 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.375 1.275 19333 1295 1 14 . 1 1 8 8 LEU H H 8 8.030 8.030 8.284 -0.254 19333 1296 1 14 . 1 1 9 9 GLN N N 9 120.070 120.070 117.753 2.317 19333 1297 1 14 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.661 -2.271 19333 1298 1 14 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.430 0.970 19333 1299 1 14 . 1 1 9 9 GLN H H 9 8.270 8.270 8.365 -0.095 19333 1300 1 14 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.126 -7.066 19333 1301 1 14 . 1 1 11 11 LEU N N 11 123.240 123.240 120.079 3.161 19333 1302 1 14 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.637 -2.087 19333 1303 1 14 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.841 0.349 19333 1304 1 14 . 1 1 11 11 LEU H H 11 8.290 8.290 8.571 -0.281 19333 1305 1 14 . 1 1 12 12 ALA N N 12 123.710 123.710 121.018 2.692 19333 1306 1 14 . 1 1 12 12 ALA CA C 12 52.610 52.610 55.107 -2.497 19333 1307 1 14 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.414 0.586 19333 1308 1 14 . 1 1 12 12 ALA H H 12 8.040 8.040 8.119 -0.079 19333 1309 1 14 . 1 1 13 13 LEU N N 13 120.350 120.350 119.205 1.145 19333 1310 1 14 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.445 -0.975 19333 1311 1 14 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.596 0.844 19333 1312 1 14 . 1 1 13 13 LEU H H 13 7.950 7.950 7.841 0.109 19333 1313 1 14 . 1 1 14 14 ALA N N 14 123.150 123.150 120.133 3.017 19333 1314 1 14 . 1 1 14 14 ALA CA C 14 52.730 52.730 53.045 -0.315 19333 1315 1 14 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.649 0.381 19333 1316 1 14 . 1 1 14 14 ALA H H 14 8.080 8.080 7.690 0.390 19333 1317 1 14 . 1 1 15 15 ALA N N 15 120.980 120.980 120.703 0.277 19333 1318 1 14 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.620 -0.310 19333 1319 1 14 . 1 1 15 15 ALA CB C 15 19.290 19.290 20.595 -1.305 19333 1320 1 14 . 1 1 15 15 ALA H H 15 7.910 7.910 7.367 0.543 19333 1321 1 14 . 1 1 16 16 LEU N N 16 119.930 119.930 120.097 -0.167 19333 1322 1 14 . 1 1 16 16 LEU CA C 16 54.920 54.920 54.888 0.032 19333 1323 1 14 . 1 1 16 16 LEU CB C 16 42.680 42.680 45.679 -2.999 19333 1324 1 14 . 1 1 16 16 LEU H H 16 7.930 7.930 8.057 -0.127 19333 1325 1 14 . 1 1 17 17 ILE N N 17 120.950 120.950 124.467 -3.517 19333 1326 1 14 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.207 -0.747 19333 1327 1 14 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.805 1.075 19333 1328 1 14 . 1 1 17 17 ILE H H 17 7.890 7.890 8.321 -0.431 19333 1329 1 14 . 1 1 18 18 LYS N N 18 126.800 126.800 130.230 -3.430 19333 1330 1 14 . 1 1 18 18 LYS CA C 18 54.060 54.060 54.117 -0.057 19333 1331 1 14 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.724 -0.704 19333 1332 1 14 . 1 1 18 18 LYS H H 18 8.290 8.290 8.545 -0.255 19333 1333 1 14 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.654 -0.414 19333 1334 1 14 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.513 0.777 19333 1335 1 14 . 1 1 20 20 LYS N N 20 123.270 123.270 120.574 2.696 19333 1336 1 14 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.344 -2.674 19333 1337 1 14 . 1 1 20 20 LYS CB C 20 41.780 41.780 33.674 8.106 19333 1338 1 14 . 1 1 20 20 LYS H H 20 8.280 8.280 7.532 0.748 19333 1339 1 14 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.709 7.082 19333 1340 1 14 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.358 1.232 19333 1341 1 14 . 1 1 22 22 ILE N N 22 122.790 122.790 122.667 0.123 19333 1342 1 14 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.935 -3.765 19333 1343 1 14 . 1 1 22 22 ILE H H 22 8.340 8.340 8.314 0.026 19333 1344 1 14 . 1 1 23 23 LYS N N 23 124.810 124.810 129.214 -4.404 19333 1345 1 14 . 1 1 23 23 LYS H H 23 8.330 8.330 8.400 -0.070 19333 1346 1 14 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.987 -1.837 19333 1347 1 14 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.960 0.260 19333 1348 1 14 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.329 -4.219 19333 1349 1 14 . 1 1 26 26 LEU N N 26 121.710 121.710 121.734 -0.024 19333 1350 1 14 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.495 3.465 19333 1351 1 14 . 1 1 26 26 LEU CB C 26 32.940 32.940 40.703 -7.763 19333 1352 1 14 . 1 1 26 26 LEU H H 26 8.400 8.400 8.375 0.025 19333 1353 1 14 . 1 1 27 27 PRO CA C 27 62.730 62.730 65.025 -2.295 19333 1354 1 14 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.516 0.894 19333 1355 1 14 . 1 1 28 28 SER N N 28 115.780 115.780 114.068 1.712 19333 1356 1 14 . 1 1 28 28 SER CA C 28 58.020 58.020 60.157 -2.137 19333 1357 1 14 . 1 1 28 28 SER CB C 28 64.150 64.150 63.430 0.720 19333 1358 1 14 . 1 1 28 28 SER H H 28 8.340 8.340 8.452 -0.112 19333 1359 1 14 . 1 1 29 29 VAL N N 29 121.980 121.980 121.000 0.980 19333 1360 1 14 . 1 1 29 29 VAL CA C 29 62.160 62.160 62.226 -0.066 19333 1361 1 14 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.639 -0.709 19333 1362 1 14 . 1 1 29 29 VAL H H 29 8.120 8.120 7.571 0.549 19333 1363 1 14 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.865 0.235 19333 1364 1 14 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.382 0.748 19333 1365 1 14 . 1 1 31 31 LYS N N 31 112.500 112.500 121.412 -8.912 19333 1366 1 14 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.485 1.375 19333 1367 1 14 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.094 -6.594 19333 1368 1 14 . 1 1 31 31 LYS H H 31 7.820 7.820 8.045 -0.225 19333 1369 1 14 . 1 1 32 32 LEU N N 32 119.340 119.340 119.951 -0.611 19333 1370 1 14 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.858 -1.958 19333 1371 1 14 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.199 -3.339 19333 1372 1 14 . 1 1 32 32 LEU H H 32 8.090 8.090 8.432 -0.342 19333 1373 1 14 . 1 1 33 33 THR N N 33 114.030 114.030 116.188 -2.158 19333 1374 1 14 . 1 1 33 33 THR CA C 33 61.510 61.510 60.892 0.618 19333 1375 1 14 . 1 1 33 33 THR CB C 33 69.990 69.990 70.882 -0.892 19333 1376 1 14 . 1 1 33 33 THR H H 33 8.030 8.030 8.541 -0.511 19333 1377 1 14 . 1 1 34 34 GLU N N 34 123.520 123.520 120.839 2.681 19333 1378 1 14 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.831 -0.121 19333 1379 1 14 . 1 1 34 34 GLU CB C 34 30.860 30.860 31.290 -0.430 19333 1380 1 14 . 1 1 34 34 GLU H H 34 8.360 8.360 8.599 -0.239 19333 1381 1 14 . 1 1 35 35 ASP CA C 35 58.420 58.420 54.976 3.444 19333 1382 1 14 . 1 1 35 35 ASP CB C 35 38.800 38.800 42.098 -3.298 19333 1383 1 14 . 1 1 36 36 ARG N N 36 120.190 120.190 116.926 3.264 19333 1384 1 14 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.527 0.453 19333 1385 1 14 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.241 -2.741 19333 1386 1 14 . 1 1 36 36 ARG H H 36 8.030 8.030 7.979 0.051 19333 1387 1 15 . 1 1 7 7 SER N N 7 115.710 115.710 118.303 -2.593 19333 1388 1 15 . 1 1 7 7 SER CA C 7 58.270 58.270 60.836 -2.566 19333 1389 1 15 . 1 1 7 7 SER CB C 7 64.320 64.320 62.981 1.339 19333 1390 1 15 . 1 1 7 7 SER H H 7 8.190 8.190 8.229 -0.039 19333 1391 1 15 . 1 1 8 8 LEU N N 8 122.870 122.870 121.024 1.846 19333 1392 1 15 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.419 -2.079 19333 1393 1 15 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.412 1.238 19333 1394 1 15 . 1 1 8 8 LEU H H 8 8.030 8.030 8.268 -0.238 19333 1395 1 15 . 1 1 9 9 GLN N N 9 120.070 120.070 118.445 1.625 19333 1396 1 15 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.980 -2.590 19333 1397 1 15 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.388 1.012 19333 1398 1 15 . 1 1 9 9 GLN H H 9 8.270 8.270 8.008 0.262 19333 1399 1 15 . 1 1 10 10 TYR CB C 10 33.060 33.060 38.783 -5.723 19333 1400 1 15 . 1 1 11 11 LEU N N 11 123.240 123.240 118.723 4.517 19333 1401 1 15 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.329 -1.779 19333 1402 1 15 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.655 0.535 19333 1403 1 15 . 1 1 11 11 LEU H H 11 8.290 8.290 8.204 0.086 19333 1404 1 15 . 1 1 12 12 ALA N N 12 123.710 123.710 121.004 2.706 19333 1405 1 15 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.909 -2.299 19333 1406 1 15 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.786 0.214 19333 1407 1 15 . 1 1 12 12 ALA H H 12 8.040 8.040 7.990 0.050 19333 1408 1 15 . 1 1 13 13 LEU N N 13 120.350 120.350 119.225 1.125 19333 1409 1 15 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.573 -1.103 19333 1410 1 15 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.713 0.727 19333 1411 1 15 . 1 1 13 13 LEU H H 13 7.950 7.950 7.574 0.376 19333 1412 1 15 . 1 1 14 14 ALA N N 14 123.150 123.150 119.463 3.687 19333 1413 1 15 . 1 1 14 14 ALA CA C 14 52.730 52.730 52.559 0.170 19333 1414 1 15 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.605 0.425 19333 1415 1 15 . 1 1 14 14 ALA H H 14 8.080 8.080 7.609 0.471 19333 1416 1 15 . 1 1 15 15 ALA N N 15 120.980 120.980 121.490 -0.510 19333 1417 1 15 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.459 -0.149 19333 1418 1 15 . 1 1 15 15 ALA CB C 15 19.290 19.290 20.991 -1.701 19333 1419 1 15 . 1 1 15 15 ALA H H 15 7.910 7.910 7.623 0.287 19333 1420 1 15 . 1 1 16 16 LEU N N 16 119.930 119.930 119.220 0.710 19333 1421 1 15 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.166 -0.247 19333 1422 1 15 . 1 1 16 16 LEU CB C 16 42.680 42.680 45.007 -2.327 19333 1423 1 15 . 1 1 16 16 LEU H H 16 7.930 7.930 8.116 -0.186 19333 1424 1 15 . 1 1 17 17 ILE N N 17 120.950 120.950 127.467 -6.517 19333 1425 1 15 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.423 -0.963 19333 1426 1 15 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.430 1.450 19333 1427 1 15 . 1 1 17 17 ILE H H 17 7.890 7.890 8.546 -0.656 19333 1428 1 15 . 1 1 18 18 LYS N N 18 126.800 126.800 129.622 -2.822 19333 1429 1 15 . 1 1 18 18 LYS CA C 18 54.060 54.060 54.512 -0.452 19333 1430 1 15 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.379 -0.359 19333 1431 1 15 . 1 1 18 18 LYS H H 18 8.290 8.290 8.114 0.176 19333 1432 1 15 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.654 -0.414 19333 1433 1 15 . 1 1 19 19 PRO CB C 19 32.290 32.290 32.285 0.005 19333 1434 1 15 . 1 1 20 20 LYS N N 20 123.270 123.270 120.131 3.139 19333 1435 1 15 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.534 -2.864 19333 1436 1 15 . 1 1 20 20 LYS CB C 20 41.780 41.780 33.314 8.466 19333 1437 1 15 . 1 1 20 20 LYS H H 20 8.280 8.280 7.807 0.473 19333 1438 1 15 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.701 7.089 19333 1439 1 15 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.801 0.789 19333 1440 1 15 . 1 1 22 22 ILE N N 22 122.790 122.790 121.234 1.556 19333 1441 1 15 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.213 -3.043 19333 1442 1 15 . 1 1 22 22 ILE H H 22 8.340 8.340 8.301 0.039 19333 1443 1 15 . 1 1 23 23 LYS N N 23 124.810 124.810 123.020 1.790 19333 1444 1 15 . 1 1 23 23 LYS H H 23 8.330 8.330 8.236 0.094 19333 1445 1 15 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.635 -1.485 19333 1446 1 15 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.960 0.260 19333 1447 1 15 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.102 -3.992 19333 1448 1 15 . 1 1 26 26 LEU N N 26 121.710 121.710 122.000 -0.290 19333 1449 1 15 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.535 3.425 19333 1450 1 15 . 1 1 26 26 LEU CB C 26 32.940 32.940 40.762 -7.822 19333 1451 1 15 . 1 1 26 26 LEU H H 26 8.400 8.400 8.149 0.251 19333 1452 1 15 . 1 1 27 27 PRO CA C 27 62.730 62.730 64.973 -2.243 19333 1453 1 15 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.055 1.355 19333 1454 1 15 . 1 1 28 28 SER N N 28 115.780 115.780 112.322 3.458 19333 1455 1 15 . 1 1 28 28 SER CA C 28 58.020 58.020 59.819 -1.799 19333 1456 1 15 . 1 1 28 28 SER CB C 28 64.150 64.150 63.497 0.653 19333 1457 1 15 . 1 1 28 28 SER H H 28 8.340 8.340 8.192 0.148 19333 1458 1 15 . 1 1 29 29 VAL N N 29 121.980 121.980 121.671 0.309 19333 1459 1 15 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.650 0.510 19333 1460 1 15 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.319 -0.389 19333 1461 1 15 . 1 1 29 29 VAL H H 29 8.120 8.120 7.508 0.612 19333 1462 1 15 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.805 0.295 19333 1463 1 15 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.558 0.572 19333 1464 1 15 . 1 1 31 31 LYS N N 31 112.500 112.500 121.497 -8.997 19333 1465 1 15 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.389 1.471 19333 1466 1 15 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.231 -6.731 19333 1467 1 15 . 1 1 31 31 LYS H H 31 7.820 7.820 8.035 -0.215 19333 1468 1 15 . 1 1 32 32 LEU N N 32 119.340 119.340 118.733 0.607 19333 1469 1 15 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.653 -1.753 19333 1470 1 15 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.409 -3.549 19333 1471 1 15 . 1 1 32 32 LEU H H 32 8.090 8.090 8.242 -0.152 19333 1472 1 15 . 1 1 33 33 THR N N 33 114.030 114.030 114.369 -0.339 19333 1473 1 15 . 1 1 33 33 THR CA C 33 61.510 61.510 61.190 0.320 19333 1474 1 15 . 1 1 33 33 THR CB C 33 69.990 69.990 69.777 0.213 19333 1475 1 15 . 1 1 33 33 THR H H 33 8.030 8.030 8.204 -0.174 19333 1476 1 15 . 1 1 34 34 GLU N N 34 123.520 123.520 120.699 2.821 19333 1477 1 15 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.260 0.451 19333 1478 1 15 . 1 1 34 34 GLU CB C 34 30.860 30.860 31.140 -0.280 19333 1479 1 15 . 1 1 34 34 GLU H H 34 8.360 8.360 8.474 -0.114 19333 1480 1 15 . 1 1 35 35 ASP CA C 35 58.420 58.420 54.917 3.502 19333 1481 1 15 . 1 1 35 35 ASP CB C 35 38.800 38.800 42.568 -3.768 19333 1482 1 15 . 1 1 36 36 ARG N N 36 120.190 120.190 117.636 2.554 19333 1483 1 15 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.828 0.152 19333 1484 1 15 . 1 1 36 36 ARG CB C 36 29.500 29.500 33.073 -3.573 19333 1485 1 15 . 1 1 36 36 ARG H H 36 8.030 8.030 7.910 0.120 19333 1486 1 16 . 1 1 7 7 SER N N 7 115.710 115.710 118.059 -2.349 19333 1487 1 16 . 1 1 7 7 SER CA C 7 58.270 58.270 60.791 -2.522 19333 1488 1 16 . 1 1 7 7 SER CB C 7 64.320 64.320 63.070 1.250 19333 1489 1 16 . 1 1 7 7 SER H H 7 8.190 8.190 8.222 -0.032 19333 1490 1 16 . 1 1 8 8 LEU N N 8 122.870 122.870 122.194 0.676 19333 1491 1 16 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.419 -2.079 19333 1492 1 16 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.139 1.511 19333 1493 1 16 . 1 1 8 8 LEU H H 8 8.030 8.030 8.183 -0.153 19333 1494 1 16 . 1 1 9 9 GLN N N 9 120.070 120.070 117.191 2.879 19333 1495 1 16 . 1 1 9 9 GLN CA C 9 56.390 56.390 59.119 -2.729 19333 1496 1 16 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.286 1.114 19333 1497 1 16 . 1 1 9 9 GLN H H 9 8.270 8.270 8.723 -0.453 19333 1498 1 16 . 1 1 10 10 TYR CB C 10 33.060 33.060 38.783 -5.723 19333 1499 1 16 . 1 1 11 11 LEU N N 11 123.240 123.240 119.620 3.620 19333 1500 1 16 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.443 -1.893 19333 1501 1 16 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.633 0.557 19333 1502 1 16 . 1 1 11 11 LEU H H 11 8.290 8.290 8.420 -0.130 19333 1503 1 16 . 1 1 12 12 ALA N N 12 123.710 123.710 120.368 3.342 19333 1504 1 16 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.916 -2.306 19333 1505 1 16 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.544 0.456 19333 1506 1 16 . 1 1 12 12 ALA H H 12 8.040 8.040 8.094 -0.054 19333 1507 1 16 . 1 1 13 13 LEU N N 13 120.350 120.350 119.831 0.519 19333 1508 1 16 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.895 -1.425 19333 1509 1 16 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.851 0.589 19333 1510 1 16 . 1 1 13 13 LEU H H 13 7.950 7.950 7.661 0.289 19333 1511 1 16 . 1 1 14 14 ALA N N 14 123.150 123.150 119.638 3.512 19333 1512 1 16 . 1 1 14 14 ALA CA C 14 52.730 52.730 52.827 -0.097 19333 1513 1 16 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.568 0.462 19333 1514 1 16 . 1 1 14 14 ALA H H 14 8.080 8.080 7.722 0.358 19333 1515 1 16 . 1 1 15 15 ALA N N 15 120.980 120.980 121.333 -0.353 19333 1516 1 16 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.474 -0.164 19333 1517 1 16 . 1 1 15 15 ALA CB C 15 19.290 19.290 20.682 -1.392 19333 1518 1 16 . 1 1 15 15 ALA H H 15 7.910 7.910 7.591 0.319 19333 1519 1 16 . 1 1 16 16 LEU N N 16 119.930 119.930 118.154 1.776 19333 1520 1 16 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.041 -0.121 19333 1521 1 16 . 1 1 16 16 LEU CB C 16 42.680 42.680 45.337 -2.657 19333 1522 1 16 . 1 1 16 16 LEU H H 16 7.930 7.930 8.075 -0.145 19333 1523 1 16 . 1 1 17 17 ILE N N 17 120.950 120.950 126.158 -5.208 19333 1524 1 16 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.238 -0.778 19333 1525 1 16 . 1 1 17 17 ILE CB C 17 38.880 38.880 38.208 0.672 19333 1526 1 16 . 1 1 17 17 ILE H H 17 7.890 7.890 8.479 -0.589 19333 1527 1 16 . 1 1 18 18 LYS N N 18 126.800 126.800 130.452 -3.652 19333 1528 1 16 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.502 0.558 19333 1529 1 16 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.596 -0.576 19333 1530 1 16 . 1 1 18 18 LYS H H 18 8.290 8.290 8.634 -0.344 19333 1531 1 16 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.610 -0.370 19333 1532 1 16 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.099 1.191 19333 1533 1 16 . 1 1 20 20 LYS N N 20 123.270 123.270 121.082 2.188 19333 1534 1 16 . 1 1 20 20 LYS CA C 20 52.670 52.670 54.856 -2.186 19333 1535 1 16 . 1 1 20 20 LYS CB C 20 41.780 41.780 35.035 6.745 19333 1536 1 16 . 1 1 20 20 LYS H H 20 8.280 8.280 7.606 0.674 19333 1537 1 16 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.679 7.111 19333 1538 1 16 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.359 1.231 19333 1539 1 16 . 1 1 22 22 ILE N N 22 122.790 122.790 122.692 0.098 19333 1540 1 16 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.760 -3.590 19333 1541 1 16 . 1 1 22 22 ILE H H 22 8.340 8.340 8.305 0.035 19333 1542 1 16 . 1 1 23 23 LYS N N 23 124.810 124.810 128.905 -4.095 19333 1543 1 16 . 1 1 23 23 LYS H H 23 8.330 8.330 8.650 -0.320 19333 1544 1 16 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.781 -1.631 19333 1545 1 16 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.979 0.241 19333 1546 1 16 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.256 -4.146 19333 1547 1 16 . 1 1 26 26 LEU N N 26 121.710 121.710 121.454 0.256 19333 1548 1 16 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.286 3.674 19333 1549 1 16 . 1 1 26 26 LEU CB C 26 32.940 32.940 40.782 -7.841 19333 1550 1 16 . 1 1 26 26 LEU H H 26 8.400 8.400 7.976 0.424 19333 1551 1 16 . 1 1 27 27 PRO CA C 27 62.730 62.730 64.831 -2.101 19333 1552 1 16 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.151 1.259 19333 1553 1 16 . 1 1 28 28 SER N N 28 115.780 115.780 112.977 2.803 19333 1554 1 16 . 1 1 28 28 SER CA C 28 58.020 58.020 60.109 -2.089 19333 1555 1 16 . 1 1 28 28 SER CB C 28 64.150 64.150 63.339 0.811 19333 1556 1 16 . 1 1 28 28 SER H H 28 8.340 8.340 8.323 0.017 19333 1557 1 16 . 1 1 29 29 VAL N N 29 121.980 121.980 121.785 0.195 19333 1558 1 16 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.980 0.180 19333 1559 1 16 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.349 -0.419 19333 1560 1 16 . 1 1 29 29 VAL H H 29 8.120 8.120 7.486 0.634 19333 1561 1 16 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.843 0.257 19333 1562 1 16 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.498 0.632 19333 1563 1 16 . 1 1 31 31 LYS N N 31 112.500 112.500 121.634 -9.134 19333 1564 1 16 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.419 1.441 19333 1565 1 16 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.314 -6.814 19333 1566 1 16 . 1 1 31 31 LYS H H 31 7.820 7.820 8.039 -0.219 19333 1567 1 16 . 1 1 32 32 LEU N N 32 119.340 119.340 119.164 0.176 19333 1568 1 16 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.806 -1.906 19333 1569 1 16 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.499 -3.639 19333 1570 1 16 . 1 1 32 32 LEU H H 32 8.090 8.090 8.252 -0.162 19333 1571 1 16 . 1 1 33 33 THR N N 33 114.030 114.030 114.754 -0.724 19333 1572 1 16 . 1 1 33 33 THR CA C 33 61.510 61.510 61.147 0.363 19333 1573 1 16 . 1 1 33 33 THR CB C 33 69.990 69.990 70.240 -0.250 19333 1574 1 16 . 1 1 33 33 THR H H 33 8.030 8.030 8.662 -0.632 19333 1575 1 16 . 1 1 34 34 GLU N N 34 123.520 123.520 120.510 3.010 19333 1576 1 16 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.162 0.548 19333 1577 1 16 . 1 1 34 34 GLU CB C 34 30.860 30.860 31.493 -0.633 19333 1578 1 16 . 1 1 34 34 GLU H H 34 8.360 8.360 8.407 -0.047 19333 1579 1 16 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.037 3.383 19333 1580 1 16 . 1 1 35 35 ASP CB C 35 38.800 38.800 41.751 -2.951 19333 1581 1 16 . 1 1 36 36 ARG N N 36 120.190 120.190 117.467 2.723 19333 1582 1 16 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.561 0.419 19333 1583 1 16 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.104 -2.604 19333 1584 1 16 . 1 1 36 36 ARG H H 36 8.030 8.030 8.015 0.015 19333 1585 1 17 . 1 1 7 7 SER N N 7 115.710 115.710 117.391 -1.681 19333 1586 1 17 . 1 1 7 7 SER CA C 7 58.270 58.270 60.800 -2.530 19333 1587 1 17 . 1 1 7 7 SER CB C 7 64.320 64.320 63.007 1.313 19333 1588 1 17 . 1 1 7 7 SER H H 7 8.190 8.190 8.218 -0.028 19333 1589 1 17 . 1 1 8 8 LEU N N 8 122.870 122.870 121.384 1.486 19333 1590 1 17 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.566 -2.226 19333 1591 1 17 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.389 1.261 19333 1592 1 17 . 1 1 8 8 LEU H H 8 8.030 8.030 8.270 -0.240 19333 1593 1 17 . 1 1 9 9 GLN N N 9 120.070 120.070 117.594 2.476 19333 1594 1 17 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.522 -2.131 19333 1595 1 17 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.423 0.977 19333 1596 1 17 . 1 1 9 9 GLN H H 9 8.270 8.270 8.484 -0.214 19333 1597 1 17 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.501 -7.441 19333 1598 1 17 . 1 1 11 11 LEU N N 11 123.240 123.240 119.938 3.302 19333 1599 1 17 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.580 -2.030 19333 1600 1 17 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.926 0.264 19333 1601 1 17 . 1 1 11 11 LEU H H 11 8.290 8.290 8.600 -0.310 19333 1602 1 17 . 1 1 12 12 ALA N N 12 123.710 123.710 121.719 1.991 19333 1603 1 17 . 1 1 12 12 ALA CA C 12 52.610 52.610 55.216 -2.606 19333 1604 1 17 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.291 0.709 19333 1605 1 17 . 1 1 12 12 ALA H H 12 8.040 8.040 8.257 -0.217 19333 1606 1 17 . 1 1 13 13 LEU N N 13 120.350 120.350 119.357 0.993 19333 1607 1 17 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.640 -1.170 19333 1608 1 17 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.518 0.922 19333 1609 1 17 . 1 1 13 13 LEU H H 13 7.950 7.950 7.599 0.351 19333 1610 1 17 . 1 1 14 14 ALA N N 14 123.150 123.150 120.102 3.048 19333 1611 1 17 . 1 1 14 14 ALA CA C 14 52.730 52.730 53.053 -0.323 19333 1612 1 17 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.758 0.272 19333 1613 1 17 . 1 1 14 14 ALA H H 14 8.080 8.080 7.743 0.337 19333 1614 1 17 . 1 1 15 15 ALA N N 15 120.980 120.980 120.815 0.165 19333 1615 1 17 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.475 -0.165 19333 1616 1 17 . 1 1 15 15 ALA CB C 15 19.290 19.290 20.286 -0.996 19333 1617 1 17 . 1 1 15 15 ALA H H 15 7.910 7.910 7.497 0.413 19333 1618 1 17 . 1 1 16 16 LEU N N 16 119.930 119.930 119.840 0.090 19333 1619 1 17 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.514 -0.594 19333 1620 1 17 . 1 1 16 16 LEU CB C 16 42.680 42.680 45.352 -2.672 19333 1621 1 17 . 1 1 16 16 LEU H H 16 7.930 7.930 7.781 0.149 19333 1622 1 17 . 1 1 17 17 ILE N N 17 120.950 120.950 126.087 -5.137 19333 1623 1 17 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.462 -1.002 19333 1624 1 17 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.624 1.256 19333 1625 1 17 . 1 1 17 17 ILE H H 17 7.890 7.890 8.246 -0.356 19333 1626 1 17 . 1 1 18 18 LYS N N 18 126.800 126.800 129.635 -2.835 19333 1627 1 17 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.812 0.249 19333 1628 1 17 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.820 -0.800 19333 1629 1 17 . 1 1 18 18 LYS H H 18 8.290 8.290 8.382 -0.092 19333 1630 1 17 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.468 -0.228 19333 1631 1 17 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.063 1.227 19333 1632 1 17 . 1 1 20 20 LYS N N 20 123.270 123.270 120.705 2.565 19333 1633 1 17 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.033 -2.363 19333 1634 1 17 . 1 1 20 20 LYS CB C 20 41.780 41.780 34.824 6.956 19333 1635 1 17 . 1 1 20 20 LYS H H 20 8.280 8.280 7.613 0.667 19333 1636 1 17 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.997 6.793 19333 1637 1 17 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.315 1.275 19333 1638 1 17 . 1 1 22 22 ILE N N 22 122.790 122.790 122.349 0.441 19333 1639 1 17 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.785 -3.615 19333 1640 1 17 . 1 1 22 22 ILE H H 22 8.340 8.340 8.272 0.068 19333 1641 1 17 . 1 1 23 23 LYS N N 23 124.810 124.810 129.216 -4.406 19333 1642 1 17 . 1 1 23 23 LYS H H 23 8.330 8.330 8.870 -0.540 19333 1643 1 17 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.898 -1.748 19333 1644 1 17 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.798 0.422 19333 1645 1 17 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.446 -4.336 19333 1646 1 17 . 1 1 26 26 LEU N N 26 121.710 121.710 120.865 0.845 19333 1647 1 17 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.225 3.735 19333 1648 1 17 . 1 1 26 26 LEU CB C 26 32.940 32.940 41.245 -8.306 19333 1649 1 17 . 1 1 26 26 LEU H H 26 8.400 8.400 8.053 0.346 19333 1650 1 17 . 1 1 27 27 PRO CA C 27 62.730 62.730 65.058 -2.328 19333 1651 1 17 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.060 1.350 19333 1652 1 17 . 1 1 28 28 SER N N 28 115.780 115.780 112.514 3.266 19333 1653 1 17 . 1 1 28 28 SER CA C 28 58.020 58.020 60.093 -2.073 19333 1654 1 17 . 1 1 28 28 SER CB C 28 64.150 64.150 63.404 0.746 19333 1655 1 17 . 1 1 28 28 SER H H 28 8.340 8.340 8.280 0.060 19333 1656 1 17 . 1 1 29 29 VAL N N 29 121.980 121.980 121.396 0.584 19333 1657 1 17 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.757 0.403 19333 1658 1 17 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.723 -0.793 19333 1659 1 17 . 1 1 29 29 VAL H H 29 8.120 8.120 7.528 0.592 19333 1660 1 17 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.859 0.241 19333 1661 1 17 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.642 0.488 19333 1662 1 17 . 1 1 31 31 LYS N N 31 112.500 112.500 121.715 -9.215 19333 1663 1 17 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.400 1.460 19333 1664 1 17 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.299 -6.799 19333 1665 1 17 . 1 1 31 31 LYS H H 31 7.820 7.820 8.073 -0.253 19333 1666 1 17 . 1 1 32 32 LEU N N 32 119.340 119.340 120.076 -0.736 19333 1667 1 17 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.611 -1.712 19333 1668 1 17 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.339 -3.479 19333 1669 1 17 . 1 1 32 32 LEU H H 32 8.090 8.090 8.411 -0.321 19333 1670 1 17 . 1 1 33 33 THR N N 33 114.030 114.030 115.971 -1.941 19333 1671 1 17 . 1 1 33 33 THR CA C 33 61.510 61.510 61.745 -0.235 19333 1672 1 17 . 1 1 33 33 THR CB C 33 69.990 69.990 69.876 0.114 19333 1673 1 17 . 1 1 33 33 THR H H 33 8.030 8.030 8.160 -0.130 19333 1674 1 17 . 1 1 34 34 GLU N N 34 123.520 123.520 123.392 0.128 19333 1675 1 17 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.450 0.260 19333 1676 1 17 . 1 1 34 34 GLU CB C 34 30.860 30.860 30.639 0.221 19333 1677 1 17 . 1 1 34 34 GLU H H 34 8.360 8.360 8.516 -0.156 19333 1678 1 17 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.152 3.268 19333 1679 1 17 . 1 1 35 35 ASP CB C 35 38.800 38.800 41.722 -2.922 19333 1680 1 17 . 1 1 36 36 ARG N N 36 120.190 120.190 117.241 2.949 19333 1681 1 17 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.471 0.509 19333 1682 1 17 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.320 -2.820 19333 1683 1 17 . 1 1 36 36 ARG H H 36 8.030 8.030 8.099 -0.069 19333 1684 1 18 . 1 1 7 7 SER N N 7 115.710 115.710 118.987 -3.277 19333 1685 1 18 . 1 1 7 7 SER CA C 7 58.270 58.270 60.760 -2.490 19333 1686 1 18 . 1 1 7 7 SER CB C 7 64.320 64.320 62.894 1.426 19333 1687 1 18 . 1 1 7 7 SER H H 7 8.190 8.190 8.149 0.041 19333 1688 1 18 . 1 1 8 8 LEU N N 8 122.870 122.870 121.168 1.702 19333 1689 1 18 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.838 -2.498 19333 1690 1 18 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.307 1.343 19333 1691 1 18 . 1 1 8 8 LEU H H 8 8.030 8.030 8.354 -0.324 19333 1692 1 18 . 1 1 9 9 GLN N N 9 120.070 120.070 118.615 1.455 19333 1693 1 18 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.699 -2.309 19333 1694 1 18 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.340 1.060 19333 1695 1 18 . 1 1 9 9 GLN H H 9 8.270 8.270 8.425 -0.155 19333 1696 1 18 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.641 -7.581 19333 1697 1 18 . 1 1 11 11 LEU N N 11 123.240 123.240 120.129 3.111 19333 1698 1 18 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.700 -2.150 19333 1699 1 18 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.984 0.206 19333 1700 1 18 . 1 1 11 11 LEU H H 11 8.290 8.290 8.628 -0.338 19333 1701 1 18 . 1 1 12 12 ALA N N 12 123.710 123.710 121.094 2.616 19333 1702 1 18 . 1 1 12 12 ALA CA C 12 52.610 52.610 55.026 -2.416 19333 1703 1 18 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.314 0.686 19333 1704 1 18 . 1 1 12 12 ALA H H 12 8.040 8.040 8.097 -0.057 19333 1705 1 18 . 1 1 13 13 LEU N N 13 120.350 120.350 118.504 1.846 19333 1706 1 18 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.822 -1.352 19333 1707 1 18 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.440 1.000 19333 1708 1 18 . 1 1 13 13 LEU H H 13 7.950 7.950 7.787 0.164 19333 1709 1 18 . 1 1 14 14 ALA N N 14 123.150 123.150 120.362 2.788 19333 1710 1 18 . 1 1 14 14 ALA CA C 14 52.730 52.730 52.848 -0.118 19333 1711 1 18 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.477 0.553 19333 1712 1 18 . 1 1 14 14 ALA H H 14 8.080 8.080 7.669 0.411 19333 1713 1 18 . 1 1 15 15 ALA N N 15 120.980 120.980 121.178 -0.198 19333 1714 1 18 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.528 -0.218 19333 1715 1 18 . 1 1 15 15 ALA CB C 15 19.290 19.290 19.956 -0.665 19333 1716 1 18 . 1 1 15 15 ALA H H 15 7.910 7.910 7.388 0.522 19333 1717 1 18 . 1 1 16 16 LEU N N 16 119.930 119.930 118.435 1.495 19333 1718 1 18 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.189 -0.269 19333 1719 1 18 . 1 1 16 16 LEU CB C 16 42.680 42.680 44.880 -2.200 19333 1720 1 18 . 1 1 16 16 LEU H H 16 7.930 7.930 7.744 0.186 19333 1721 1 18 . 1 1 17 17 ILE N N 17 120.950 120.950 127.253 -6.303 19333 1722 1 18 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.679 -1.219 19333 1723 1 18 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.789 1.091 19333 1724 1 18 . 1 1 17 17 ILE H H 17 7.890 7.890 8.526 -0.636 19333 1725 1 18 . 1 1 18 18 LYS N N 18 126.800 126.800 130.463 -3.663 19333 1726 1 18 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.606 0.454 19333 1727 1 18 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.769 -0.749 19333 1728 1 18 . 1 1 18 18 LYS H H 18 8.290 8.290 8.544 -0.254 19333 1729 1 18 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.585 -0.345 19333 1730 1 18 . 1 1 19 19 PRO CB C 19 32.290 32.290 30.861 1.429 19333 1731 1 18 . 1 1 20 20 LYS N N 20 123.270 123.270 120.601 2.669 19333 1732 1 18 . 1 1 20 20 LYS CA C 20 52.670 52.670 54.716 -2.046 19333 1733 1 18 . 1 1 20 20 LYS CB C 20 41.780 41.780 34.473 7.307 19333 1734 1 18 . 1 1 20 20 LYS H H 20 8.280 8.280 7.604 0.676 19333 1735 1 18 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.988 6.802 19333 1736 1 18 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.532 1.058 19333 1737 1 18 . 1 1 22 22 ILE N N 22 122.790 122.790 123.170 -0.380 19333 1738 1 18 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.744 -3.574 19333 1739 1 18 . 1 1 22 22 ILE H H 22 8.340 8.340 8.372 -0.032 19333 1740 1 18 . 1 1 23 23 LYS N N 23 124.810 124.810 127.104 -2.294 19333 1741 1 18 . 1 1 23 23 LYS H H 23 8.330 8.330 8.535 -0.205 19333 1742 1 18 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.990 -1.841 19333 1743 1 18 . 1 1 24 24 PRO CB C 24 31.220 31.220 31.038 0.182 19333 1744 1 18 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.226 -4.116 19333 1745 1 18 . 1 1 26 26 LEU N N 26 121.710 121.710 122.683 -0.973 19333 1746 1 18 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.835 3.125 19333 1747 1 18 . 1 1 26 26 LEU CB C 26 32.940 32.940 40.732 -7.792 19333 1748 1 18 . 1 1 26 26 LEU H H 26 8.400 8.400 8.404 -0.004 19333 1749 1 18 . 1 1 27 27 PRO CA C 27 62.730 62.730 64.780 -2.050 19333 1750 1 18 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.293 1.117 19333 1751 1 18 . 1 1 28 28 SER N N 28 115.780 115.780 114.394 1.386 19333 1752 1 18 . 1 1 28 28 SER CA C 28 58.020 58.020 60.120 -2.100 19333 1753 1 18 . 1 1 28 28 SER CB C 28 64.150 64.150 63.339 0.811 19333 1754 1 18 . 1 1 28 28 SER H H 28 8.340 8.340 8.309 0.031 19333 1755 1 18 . 1 1 29 29 VAL N N 29 121.980 121.980 120.327 1.653 19333 1756 1 18 . 1 1 29 29 VAL CA C 29 62.160 62.160 62.328 -0.168 19333 1757 1 18 . 1 1 29 29 VAL CB C 29 32.930 32.930 34.147 -1.217 19333 1758 1 18 . 1 1 29 29 VAL H H 29 8.120 8.120 7.632 0.488 19333 1759 1 18 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.924 0.176 19333 1760 1 18 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.211 0.919 19333 1761 1 18 . 1 1 31 31 LYS N N 31 112.500 112.500 121.513 -9.013 19333 1762 1 18 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.293 1.567 19333 1763 1 18 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.388 -6.888 19333 1764 1 18 . 1 1 31 31 LYS H H 31 7.820 7.820 7.941 -0.121 19333 1765 1 18 . 1 1 32 32 LEU N N 32 119.340 119.340 120.396 -1.056 19333 1766 1 18 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.763 -1.863 19333 1767 1 18 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.358 -3.498 19333 1768 1 18 . 1 1 32 32 LEU H H 32 8.090 8.090 8.413 -0.323 19333 1769 1 18 . 1 1 33 33 THR N N 33 114.030 114.030 115.132 -1.102 19333 1770 1 18 . 1 1 33 33 THR CA C 33 61.510 61.510 60.711 0.799 19333 1771 1 18 . 1 1 33 33 THR CB C 33 69.990 69.990 71.025 -1.035 19333 1772 1 18 . 1 1 33 33 THR H H 33 8.030 8.030 8.641 -0.611 19333 1773 1 18 . 1 1 34 34 GLU N N 34 123.520 123.520 120.123 3.397 19333 1774 1 18 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.852 -0.143 19333 1775 1 18 . 1 1 34 34 GLU CB C 34 30.860 30.860 32.052 -1.192 19333 1776 1 18 . 1 1 34 34 GLU H H 34 8.360 8.360 8.551 -0.191 19333 1777 1 18 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.065 3.355 19333 1778 1 18 . 1 1 35 35 ASP CB C 35 38.800 38.800 41.678 -2.878 19333 1779 1 18 . 1 1 36 36 ARG N N 36 120.190 120.190 117.092 3.098 19333 1780 1 18 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.457 0.523 19333 1781 1 18 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.281 -2.780 19333 1782 1 18 . 1 1 36 36 ARG H H 36 8.030 8.030 8.032 -0.002 19333 1783 1 19 . 1 1 7 7 SER N N 7 115.710 115.710 118.252 -2.542 19333 1784 1 19 . 1 1 7 7 SER CA C 7 58.270 58.270 60.721 -2.451 19333 1785 1 19 . 1 1 7 7 SER CB C 7 64.320 64.320 63.015 1.305 19333 1786 1 19 . 1 1 7 7 SER H H 7 8.190 8.190 8.129 0.061 19333 1787 1 19 . 1 1 8 8 LEU N N 8 122.870 122.870 122.021 0.849 19333 1788 1 19 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.097 -1.757 19333 1789 1 19 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.205 1.445 19333 1790 1 19 . 1 1 8 8 LEU H H 8 8.030 8.030 8.077 -0.047 19333 1791 1 19 . 1 1 9 9 GLN N N 9 120.070 120.070 117.486 2.584 19333 1792 1 19 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.910 -2.520 19333 1793 1 19 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.428 0.972 19333 1794 1 19 . 1 1 9 9 GLN H H 9 8.270 8.270 8.687 -0.417 19333 1795 1 19 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.640 -7.580 19333 1796 1 19 . 1 1 11 11 LEU N N 11 123.240 123.240 120.485 2.755 19333 1797 1 19 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.760 -2.210 19333 1798 1 19 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.814 0.376 19333 1799 1 19 . 1 1 11 11 LEU H H 11 8.290 8.290 8.616 -0.326 19333 1800 1 19 . 1 1 12 12 ALA N N 12 123.710 123.710 121.475 2.235 19333 1801 1 19 . 1 1 12 12 ALA CA C 12 52.610 52.610 55.235 -2.625 19333 1802 1 19 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.221 0.779 19333 1803 1 19 . 1 1 12 12 ALA H H 12 8.040 8.040 8.131 -0.091 19333 1804 1 19 . 1 1 13 13 LEU N N 13 120.350 120.350 119.207 1.143 19333 1805 1 19 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.735 -1.265 19333 1806 1 19 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.567 0.873 19333 1807 1 19 . 1 1 13 13 LEU H H 13 7.950 7.950 7.775 0.175 19333 1808 1 19 . 1 1 14 14 ALA N N 14 123.150 123.150 120.421 2.729 19333 1809 1 19 . 1 1 14 14 ALA CA C 14 52.730 52.730 53.149 -0.419 19333 1810 1 19 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.555 0.475 19333 1811 1 19 . 1 1 14 14 ALA H H 14 8.080 8.080 7.649 0.431 19333 1812 1 19 . 1 1 15 15 ALA N N 15 120.980 120.980 121.068 -0.088 19333 1813 1 19 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.775 -0.465 19333 1814 1 19 . 1 1 15 15 ALA CB C 15 19.290 19.290 19.946 -0.656 19333 1815 1 19 . 1 1 15 15 ALA H H 15 7.910 7.910 7.270 0.640 19333 1816 1 19 . 1 1 16 16 LEU N N 16 119.930 119.930 119.570 0.360 19333 1817 1 19 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.529 -0.609 19333 1818 1 19 . 1 1 16 16 LEU CB C 16 42.680 42.680 45.269 -2.589 19333 1819 1 19 . 1 1 16 16 LEU H H 16 7.930 7.930 8.039 -0.109 19333 1820 1 19 . 1 1 17 17 ILE N N 17 120.950 120.950 125.754 -4.804 19333 1821 1 19 . 1 1 17 17 ILE CA C 17 60.460 60.460 60.971 -0.511 19333 1822 1 19 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.744 1.136 19333 1823 1 19 . 1 1 17 17 ILE H H 17 7.890 7.890 8.258 -0.368 19333 1824 1 19 . 1 1 18 18 LYS N N 18 126.800 126.800 129.806 -3.006 19333 1825 1 19 . 1 1 18 18 LYS CA C 18 54.060 54.060 54.258 -0.198 19333 1826 1 19 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.500 -0.480 19333 1827 1 19 . 1 1 18 18 LYS H H 18 8.290 8.290 8.458 -0.168 19333 1828 1 19 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.899 -0.659 19333 1829 1 19 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.660 0.630 19333 1830 1 19 . 1 1 20 20 LYS N N 20 123.270 123.270 120.344 2.926 19333 1831 1 19 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.088 -2.418 19333 1832 1 19 . 1 1 20 20 LYS CB C 20 41.780 41.780 33.700 8.079 19333 1833 1 19 . 1 1 20 20 LYS H H 20 8.280 8.280 7.320 0.960 19333 1834 1 19 . 1 1 21 21 GLN CA C 21 61.790 61.790 55.267 6.523 19333 1835 1 19 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.538 1.052 19333 1836 1 19 . 1 1 22 22 ILE N N 22 122.790 122.790 123.014 -0.224 19333 1837 1 19 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.757 -3.587 19333 1838 1 19 . 1 1 22 22 ILE H H 22 8.340 8.340 8.341 -0.001 19333 1839 1 19 . 1 1 23 23 LYS N N 23 124.810 124.810 127.229 -2.419 19333 1840 1 19 . 1 1 23 23 LYS H H 23 8.330 8.330 8.608 -0.278 19333 1841 1 19 . 1 1 24 24 PRO CA C 24 61.150 61.150 63.018 -1.868 19333 1842 1 19 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.757 0.463 19333 1843 1 19 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.279 -4.169 19333 1844 1 19 . 1 1 26 26 LEU N N 26 121.710 121.710 122.266 -0.556 19333 1845 1 19 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.675 3.285 19333 1846 1 19 . 1 1 26 26 LEU CB C 26 32.940 32.940 40.861 -7.921 19333 1847 1 19 . 1 1 26 26 LEU H H 26 8.400 8.400 8.169 0.231 19333 1848 1 19 . 1 1 27 27 PRO CA C 27 62.730 62.730 65.024 -2.294 19333 1849 1 19 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.133 1.277 19333 1850 1 19 . 1 1 28 28 SER N N 28 115.780 115.780 112.251 3.529 19333 1851 1 19 . 1 1 28 28 SER CA C 28 58.020 58.020 59.955 -1.935 19333 1852 1 19 . 1 1 28 28 SER CB C 28 64.150 64.150 63.490 0.659 19333 1853 1 19 . 1 1 28 28 SER H H 28 8.340 8.340 8.248 0.092 19333 1854 1 19 . 1 1 29 29 VAL N N 29 121.980 121.980 121.176 0.804 19333 1855 1 19 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.687 0.473 19333 1856 1 19 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.699 -0.769 19333 1857 1 19 . 1 1 29 29 VAL H H 29 8.120 8.120 7.452 0.668 19333 1858 1 19 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.854 0.246 19333 1859 1 19 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.625 0.505 19333 1860 1 19 . 1 1 31 31 LYS N N 31 112.500 112.500 121.607 -9.107 19333 1861 1 19 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.393 1.467 19333 1862 1 19 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.289 -6.789 19333 1863 1 19 . 1 1 31 31 LYS H H 31 7.820 7.820 8.075 -0.255 19333 1864 1 19 . 1 1 32 32 LEU N N 32 119.340 119.340 119.434 -0.094 19333 1865 1 19 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.425 -1.525 19333 1866 1 19 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.453 -3.593 19333 1867 1 19 . 1 1 32 32 LEU H H 32 8.090 8.090 8.369 -0.279 19333 1868 1 19 . 1 1 33 33 THR N N 33 114.030 114.030 116.120 -2.090 19333 1869 1 19 . 1 1 33 33 THR CA C 33 61.510 61.510 61.859 -0.349 19333 1870 1 19 . 1 1 33 33 THR CB C 33 69.990 69.990 69.844 0.146 19333 1871 1 19 . 1 1 33 33 THR H H 33 8.030 8.030 8.330 -0.300 19333 1872 1 19 . 1 1 34 34 GLU N N 34 123.520 123.520 124.383 -0.863 19333 1873 1 19 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.423 0.287 19333 1874 1 19 . 1 1 34 34 GLU CB C 34 30.860 30.860 30.083 0.777 19333 1875 1 19 . 1 1 34 34 GLU H H 34 8.360 8.360 8.557 -0.197 19333 1876 1 19 . 1 1 35 35 ASP CA C 35 58.420 58.420 54.896 3.524 19333 1877 1 19 . 1 1 35 35 ASP CB C 35 38.800 38.800 42.131 -3.331 19333 1878 1 19 . 1 1 36 36 ARG N N 36 120.190 120.190 116.935 3.255 19333 1879 1 19 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.435 0.545 19333 1880 1 19 . 1 1 36 36 ARG CB C 36 29.500 29.500 31.854 -2.354 19333 1881 1 19 . 1 1 36 36 ARG H H 36 8.030 8.030 7.996 0.034 19333 1882 1 20 . 1 1 7 7 SER N N 7 115.710 115.710 117.459 -1.749 19333 1883 1 20 . 1 1 7 7 SER CA C 7 58.270 58.270 60.628 -2.358 19333 1884 1 20 . 1 1 7 7 SER CB C 7 64.320 64.320 63.118 1.202 19333 1885 1 20 . 1 1 7 7 SER H H 7 8.190 8.190 8.192 -0.002 19333 1886 1 20 . 1 1 8 8 LEU N N 8 122.870 122.870 122.180 0.690 19333 1887 1 20 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.123 -1.783 19333 1888 1 20 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.319 1.331 19333 1889 1 20 . 1 1 8 8 LEU H H 8 8.030 8.030 8.033 -0.003 19333 1890 1 20 . 1 1 9 9 GLN N N 9 120.070 120.070 118.599 1.471 19333 1891 1 20 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.761 -2.371 19333 1892 1 20 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.373 1.027 19333 1893 1 20 . 1 1 9 9 GLN H H 9 8.270 8.270 8.593 -0.323 19333 1894 1 20 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.213 -7.153 19333 1895 1 20 . 1 1 11 11 LEU N N 11 123.240 123.240 120.573 2.667 19333 1896 1 20 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.706 -2.156 19333 1897 1 20 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.872 0.318 19333 1898 1 20 . 1 1 11 11 LEU H H 11 8.290 8.290 8.334 -0.044 19333 1899 1 20 . 1 1 12 12 ALA N N 12 123.710 123.710 121.458 2.252 19333 1900 1 20 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.875 -2.265 19333 1901 1 20 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.151 0.849 19333 1902 1 20 . 1 1 12 12 ALA H H 12 8.040 8.040 8.257 -0.217 19333 1903 1 20 . 1 1 13 13 LEU N N 13 120.350 120.350 118.867 1.483 19333 1904 1 20 . 1 1 13 13 LEU CA C 13 55.470 55.470 57.105 -1.635 19333 1905 1 20 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.579 0.861 19333 1906 1 20 . 1 1 13 13 LEU H H 13 7.950 7.950 8.053 -0.103 19333 1907 1 20 . 1 1 14 14 ALA N N 14 123.150 123.150 120.960 2.190 19333 1908 1 20 . 1 1 14 14 ALA CA C 14 52.730 52.730 53.170 -0.440 19333 1909 1 20 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.330 0.700 19333 1910 1 20 . 1 1 14 14 ALA H H 14 8.080 8.080 7.626 0.454 19333 1911 1 20 . 1 1 15 15 ALA N N 15 120.980 120.980 121.334 -0.354 19333 1912 1 20 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.918 -0.608 19333 1913 1 20 . 1 1 15 15 ALA CB C 15 19.290 19.290 19.731 -0.441 19333 1914 1 20 . 1 1 15 15 ALA H H 15 7.910 7.910 7.362 0.548 19333 1915 1 20 . 1 1 16 16 LEU N N 16 119.930 119.930 118.047 1.883 19333 1916 1 20 . 1 1 16 16 LEU CA C 16 54.920 54.920 54.963 -0.043 19333 1917 1 20 . 1 1 16 16 LEU CB C 16 42.680 42.680 44.858 -2.179 19333 1918 1 20 . 1 1 16 16 LEU H H 16 7.930 7.930 7.955 -0.025 19333 1919 1 20 . 1 1 17 17 ILE N N 17 120.950 120.950 127.386 -6.436 19333 1920 1 20 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.530 -1.070 19333 1921 1 20 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.541 1.339 19333 1922 1 20 . 1 1 17 17 ILE H H 17 7.890 7.890 8.548 -0.658 19333 1923 1 20 . 1 1 18 18 LYS N N 18 126.800 126.800 129.847 -3.047 19333 1924 1 20 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.739 0.321 19333 1925 1 20 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.464 -0.444 19333 1926 1 20 . 1 1 18 18 LYS H H 18 8.290 8.290 8.307 -0.017 19333 1927 1 20 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.566 -0.325 19333 1928 1 20 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.043 1.247 19333 1929 1 20 . 1 1 20 20 LYS N N 20 123.270 123.270 121.123 2.147 19333 1930 1 20 . 1 1 20 20 LYS CA C 20 52.670 52.670 54.964 -2.294 19333 1931 1 20 . 1 1 20 20 LYS CB C 20 41.780 41.780 35.190 6.590 19333 1932 1 20 . 1 1 20 20 LYS H H 20 8.280 8.280 7.753 0.527 19333 1933 1 20 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.988 6.802 19333 1934 1 20 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.715 0.875 19333 1935 1 20 . 1 1 22 22 ILE N N 22 122.790 122.790 123.077 -0.287 19333 1936 1 20 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.989 -3.820 19333 1937 1 20 . 1 1 22 22 ILE H H 22 8.340 8.340 8.653 -0.313 19333 1938 1 20 . 1 1 23 23 LYS N N 23 124.810 124.810 125.923 -1.113 19333 1939 1 20 . 1 1 23 23 LYS H H 23 8.330 8.330 8.061 0.269 19333 1940 1 20 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.814 -1.664 19333 1941 1 20 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.739 0.480 19333 1942 1 20 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.202 -4.092 19333 1943 1 20 . 1 1 26 26 LEU N N 26 121.710 121.710 122.445 -0.735 19333 1944 1 20 . 1 1 26 26 LEU CA C 26 55.960 55.960 53.017 2.943 19333 1945 1 20 . 1 1 26 26 LEU CB C 26 32.940 32.940 41.047 -8.107 19333 1946 1 20 . 1 1 26 26 LEU H H 26 8.400 8.400 8.596 -0.196 19333 1947 1 20 . 1 1 27 27 PRO CA C 27 62.730 62.730 64.844 -2.114 19333 1948 1 20 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.635 0.775 19333 1949 1 20 . 1 1 28 28 SER N N 28 115.780 115.780 115.099 0.681 19333 1950 1 20 . 1 1 28 28 SER CA C 28 58.020 58.020 59.283 -1.263 19333 1951 1 20 . 1 1 28 28 SER CB C 28 64.150 64.150 63.528 0.623 19333 1952 1 20 . 1 1 28 28 SER H H 28 8.340 8.340 8.011 0.329 19333 1953 1 20 . 1 1 29 29 VAL N N 29 121.980 121.980 119.932 2.048 19333 1954 1 20 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.455 0.705 19333 1955 1 20 . 1 1 29 29 VAL CB C 29 32.930 32.930 32.926 0.004 19333 1956 1 20 . 1 1 29 29 VAL H H 29 8.120 8.120 7.891 0.229 19333 1957 1 20 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.784 0.316 19333 1958 1 20 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.444 0.686 19333 1959 1 20 . 1 1 31 31 LYS N N 31 112.500 112.500 121.653 -9.153 19333 1960 1 20 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.385 1.475 19333 1961 1 20 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.097 -6.597 19333 1962 1 20 . 1 1 31 31 LYS H H 31 7.820 7.820 8.011 -0.191 19333 1963 1 20 . 1 1 32 32 LEU N N 32 119.340 119.340 120.619 -1.279 19333 1964 1 20 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.697 -1.797 19333 1965 1 20 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.280 -3.420 19333 1966 1 20 . 1 1 32 32 LEU H H 32 8.090 8.090 8.454 -0.364 19333 1967 1 20 . 1 1 33 33 THR N N 33 114.030 114.030 116.790 -2.760 19333 1968 1 20 . 1 1 33 33 THR CA C 33 61.510 61.510 61.259 0.251 19333 1969 1 20 . 1 1 33 33 THR CB C 33 69.990 69.990 70.355 -0.365 19333 1970 1 20 . 1 1 33 33 THR H H 33 8.030 8.030 8.135 -0.105 19333 1971 1 20 . 1 1 34 34 GLU N N 34 123.520 123.520 120.772 2.748 19333 1972 1 20 . 1 1 34 34 GLU CA C 34 55.710 55.710 56.002 -0.292 19333 1973 1 20 . 1 1 34 34 GLU CB C 34 30.860 30.860 31.619 -0.759 19333 1974 1 20 . 1 1 34 34 GLU H H 34 8.360 8.360 8.513 -0.153 19333 1975 1 20 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.053 3.366 19333 1976 1 20 . 1 1 35 35 ASP CB C 35 38.800 38.800 41.520 -2.720 19333 1977 1 20 . 1 1 36 36 ARG N N 36 120.190 120.190 118.792 1.398 19333 1978 1 20 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.337 0.643 19333 1979 1 20 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.390 -2.890 19333 1980 1 20 . 1 1 36 36 ARG H H 36 8.030 8.030 8.197 -0.167 19333 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 22 3.110 -0.192 3.177 19333 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19333 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19333 4 1 1 "Average Difference" CA 28 2.271 0.545 2.246 19333 5 1 1 "Average Difference" CB 27 3.149 0.597 3.150 19333 6 1 1 "Average Difference" HN 22 0.325 -0.038 0.330 19333 7 1 2 "Average Difference" N 22 3.035 -0.257 3.095 19333 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19333 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19333 10 1 2 "Average Difference" CA 28 2.269 0.565 2.238 19333 11 1 2 "Average Difference" CB 27 3.221 0.623 3.221 19333 12 1 2 "Average Difference" HN 22 0.323 -0.026 0.330 19333 13 1 3 "Average Difference" N 22 2.931 -0.488 2.958 19333 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19333 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19333 16 1 3 "Average Difference" CA 28 2.280 0.532 2.258 19333 17 1 3 "Average Difference" CB 27 3.145 0.693 3.126 19333 18 1 3 "Average Difference" HN 22 0.255 -0.056 0.255 19333 19 1 4 "Average Difference" N 22 3.193 0.417 3.240 19333 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19333 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19333 22 1 4 "Average Difference" CA 28 2.386 0.663 2.334 19333 23 1 4 "Average Difference" CB 27 3.074 0.542 3.083 19333 24 1 4 "Average Difference" HN 22 0.314 0.045 0.318 19333 25 1 5 "Average Difference" N 22 3.018 -0.238 3.080 19333 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19333 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19333 28 1 5 "Average Difference" CA 28 2.315 0.503 2.302 19333 29 1 5 "Average Difference" CB 27 3.178 0.623 3.176 19333 30 1 5 "Average Difference" HN 22 0.292 -0.012 0.299 19333 31 1 6 "Average Difference" N 22 3.274 0.019 3.351 19333 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19333 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19333 34 1 6 "Average Difference" CA 28 2.329 0.560 2.303 19333 35 1 6 "Average Difference" CB 27 2.987 0.664 2.967 19333 36 1 6 "Average Difference" HN 22 0.303 -0.032 0.309 19333 37 1 7 "Average Difference" N 22 3.340 -0.338 3.401 19333 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19333 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19333 40 1 7 "Average Difference" CA 28 2.318 0.583 2.284 19333 41 1 7 "Average Difference" CB 27 3.181 0.588 3.186 19333 42 1 7 "Average Difference" HN 22 0.327 -0.056 0.330 19333 43 1 8 "Average Difference" N 22 3.090 -0.128 3.160 19333 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19333 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19333 46 1 8 "Average Difference" CA 28 2.386 0.493 2.378 19333 47 1 8 "Average Difference" CB 27 3.142 0.507 3.160 19333 48 1 8 "Average Difference" HN 22 0.339 -0.072 0.339 19333 49 1 9 "Average Difference" N 22 3.144 -0.448 3.185 19333 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19333 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19333 52 1 9 "Average Difference" CA 28 2.352 0.567 2.324 19333 53 1 9 "Average Difference" CB 27 3.317 0.765 3.289 19333 54 1 9 "Average Difference" HN 22 0.296 -0.037 0.301 19333 55 1 10 "Average Difference" N 22 3.042 -0.414 3.085 19333 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19333 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19333 58 1 10 "Average Difference" CA 28 2.320 0.514 2.303 19333 59 1 10 "Average Difference" CB 27 3.254 0.685 3.242 19333 60 1 10 "Average Difference" HN 22 0.266 -0.016 0.272 19333 61 1 11 "Average Difference" N 22 3.223 0.171 3.295 19333 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 19333 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19333 64 1 11 "Average Difference" CA 28 2.334 0.565 2.307 19333 65 1 11 "Average Difference" CB 27 3.099 0.600 3.098 19333 66 1 11 "Average Difference" HN 22 0.340 -0.042 0.345 19333 67 1 12 "Average Difference" N 22 3.239 -0.176 3.311 19333 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 19333 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19333 70 1 12 "Average Difference" CA 28 2.335 0.642 2.287 19333 71 1 12 "Average Difference" CB 27 3.064 0.536 3.074 19333 72 1 12 "Average Difference" HN 22 0.364 -0.053 0.368 19333 73 1 13 "Average Difference" N 22 3.115 -0.136 3.185 19333 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 19333 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19333 76 1 13 "Average Difference" CA 28 2.285 0.561 2.256 19333 77 1 13 "Average Difference" CB 27 3.146 0.715 3.122 19333 78 1 13 "Average Difference" HN 22 0.294 -0.047 0.297 19333 79 1 14 "Average Difference" N 22 2.987 -0.023 3.057 19333 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 19333 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19333 82 1 14 "Average Difference" CA 28 2.400 0.596 2.367 19333 83 1 14 "Average Difference" CB 27 3.176 0.678 3.162 19333 84 1 14 "Average Difference" HN 22 0.320 0.027 0.326 19333 85 1 15 "Average Difference" N 22 3.234 -0.472 3.275 19333 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 19333 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19333 88 1 15 "Average Difference" CA 28 2.336 0.515 2.320 19333 89 1 15 "Average Difference" CB 27 3.162 0.628 3.158 19333 90 1 15 "Average Difference" HN 22 0.294 -0.076 0.291 19333 91 1 16 "Average Difference" N 22 3.197 -0.103 3.271 19333 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 19333 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19333 94 1 16 "Average Difference" CA 28 2.378 0.507 2.366 19333 95 1 16 "Average Difference" CB 27 2.963 0.621 2.953 19333 96 1 16 "Average Difference" HN 22 0.348 0.023 0.355 19333 97 1 17 "Average Difference" N 22 3.065 0.074 3.136 19333 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 19333 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19333 100 1 17 "Average Difference" CA 28 2.364 0.589 2.331 19333 101 1 17 "Average Difference" CB 27 3.164 0.639 3.158 19333 102 1 17 "Average Difference" HN 22 0.319 -0.003 0.327 19333 103 1 18 "Average Difference" N 22 3.175 0.047 3.249 19333 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 19333 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19333 106 1 18 "Average Difference" CA 28 2.331 0.589 2.297 19333 107 1 18 "Average Difference" CB 27 3.168 0.677 3.154 19333 108 1 18 "Average Difference" HN 22 0.336 0.033 0.342 19333 109 1 19 "Average Difference" N 22 2.969 0.119 3.037 19333 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 19333 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19333 112 1 19 "Average Difference" CA 28 2.314 0.624 2.269 19333 113 1 19 "Average Difference" CB 27 3.229 0.560 3.241 19333 114 1 19 "Average Difference" HN 22 0.362 -0.021 0.369 19333 115 1 20 "Average Difference" N 22 2.961 0.239 3.021 19333 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 19333 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19333 118 1 20 "Average Difference" CA 28 2.291 0.556 2.263 19333 119 1 20 "Average Difference" CB 27 3.038 0.599 3.036 19333 120 1 20 "Average Difference" HN 22 0.300 0.024 0.306 19333 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 19333 _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 7 7 SER N N 7 115.710 115.710 117.802 -2.092 19333 2 1 . 1 1 7 7 SER CA C 7 58.270 58.270 60.597 -2.327 19333 3 1 . 1 1 7 7 SER CB C 7 64.320 64.320 63.112 1.208 19333 4 1 . 1 1 7 7 SER H H 7 8.190 8.190 8.186 0.004 19333 5 1 . 1 1 8 8 LEU N N 8 122.870 122.870 122.009 0.861 19333 6 1 . 1 1 8 8 LEU CA C 8 55.340 55.340 57.241 -1.901 19333 7 1 . 1 1 8 8 LEU CB C 8 42.650 42.650 41.279 1.371 19333 8 1 . 1 1 8 8 LEU H H 8 8.030 8.030 8.142 -0.112 19333 9 1 . 1 1 9 9 GLN N N 9 120.070 120.070 118.120 1.950 19333 10 1 . 1 1 9 9 GLN CA C 9 56.390 56.390 58.915 -2.525 19333 11 1 . 1 1 9 9 GLN CB C 9 29.400 29.400 28.362 1.038 19333 12 1 . 1 1 9 9 GLN H H 9 8.270 8.270 8.535 -0.265 19333 13 1 . 1 1 10 10 TYR CB C 10 33.060 33.060 40.093 -7.033 19333 14 1 . 1 1 11 11 LEU N N 11 123.240 123.240 120.144 3.096 19333 15 1 . 1 1 11 11 LEU CA C 11 55.550 55.550 57.700 -2.150 19333 16 1 . 1 1 11 11 LEU CB C 11 42.190 42.190 41.807 0.383 19333 17 1 . 1 1 11 11 LEU H H 11 8.290 8.290 8.446 -0.156 19333 18 1 . 1 1 12 12 ALA N N 12 123.710 123.710 120.837 2.873 19333 19 1 . 1 1 12 12 ALA CA C 12 52.610 52.610 54.926 -2.316 19333 20 1 . 1 1 12 12 ALA CB C 12 19.000 19.000 18.463 0.537 19333 21 1 . 1 1 12 12 ALA H H 12 8.040 8.040 8.099 -0.059 19333 22 1 . 1 1 13 13 LEU N N 13 120.350 120.350 119.428 0.922 19333 23 1 . 1 1 13 13 LEU CA C 13 55.470 55.470 56.812 -1.342 19333 24 1 . 1 1 13 13 LEU CB C 13 42.440 42.440 41.682 0.758 19333 25 1 . 1 1 13 13 LEU H H 13 7.950 7.950 7.707 0.243 19333 26 1 . 1 1 14 14 ALA N N 14 123.150 123.150 119.962 3.188 19333 27 1 . 1 1 14 14 ALA CA C 14 52.730 52.730 52.991 -0.261 19333 28 1 . 1 1 14 14 ALA CB C 14 19.030 19.030 18.561 0.469 19333 29 1 . 1 1 14 14 ALA H H 14 8.080 8.080 7.699 0.381 19333 30 1 . 1 1 15 15 ALA N N 15 120.980 120.980 120.990 -0.010 19333 31 1 . 1 1 15 15 ALA CA C 15 52.310 52.310 52.682 -0.372 19333 32 1 . 1 1 15 15 ALA CB C 15 19.290 19.290 20.276 -0.986 19333 33 1 . 1 1 15 15 ALA H H 15 7.910 7.910 7.438 0.472 19333 34 1 . 1 1 16 16 LEU N N 16 119.930 119.930 119.048 0.882 19333 35 1 . 1 1 16 16 LEU CA C 16 54.920 54.920 55.109 -0.189 19333 36 1 . 1 1 16 16 LEU CB C 16 42.680 42.680 44.877 -2.197 19333 37 1 . 1 1 16 16 LEU H H 16 7.930 7.930 7.848 0.082 19333 38 1 . 1 1 17 17 ILE N N 17 120.950 120.950 126.157 -5.207 19333 39 1 . 1 1 17 17 ILE CA C 17 60.460 60.460 61.545 -1.085 19333 40 1 . 1 1 17 17 ILE CB C 17 38.880 38.880 37.636 1.244 19333 41 1 . 1 1 17 17 ILE H H 17 7.890 7.890 8.406 -0.515 19333 42 1 . 1 1 18 18 LYS N N 18 126.800 126.800 129.997 -3.197 19333 43 1 . 1 1 18 18 LYS CA C 18 54.060 54.060 53.885 0.175 19333 44 1 . 1 1 18 18 LYS CB C 18 33.020 33.020 33.569 -0.549 19333 45 1 . 1 1 18 18 LYS H H 18 8.290 8.290 8.370 -0.080 19333 46 1 . 1 1 19 19 PRO CA C 19 62.240 62.240 62.624 -0.384 19333 47 1 . 1 1 19 19 PRO CB C 19 32.290 32.290 31.354 0.936 19333 48 1 . 1 1 20 20 LYS N N 20 123.270 123.270 120.716 2.554 19333 49 1 . 1 1 20 20 LYS CA C 20 52.670 52.670 55.121 -2.450 19333 50 1 . 1 1 20 20 LYS CB C 20 41.780 41.780 34.293 7.487 19333 51 1 . 1 1 20 20 LYS H H 20 8.280 8.280 7.675 0.605 19333 52 1 . 1 1 21 21 GLN CA C 21 61.790 61.790 54.874 6.916 19333 53 1 . 1 1 21 21 GLN CB C 21 30.590 30.590 29.626 0.964 19333 54 1 . 1 1 22 22 ILE N N 22 122.790 122.790 122.102 0.688 19333 55 1 . 1 1 22 22 ILE CA C 22 56.170 56.170 59.578 -3.408 19333 56 1 . 1 1 22 22 ILE H H 22 8.340 8.340 8.298 0.042 19333 57 1 . 1 1 23 23 LYS N N 23 124.810 124.810 125.405 -0.595 19333 58 1 . 1 1 23 23 LYS H H 23 8.330 8.330 8.349 -0.019 19333 59 1 . 1 1 24 24 PRO CA C 24 61.150 61.150 62.871 -1.721 19333 60 1 . 1 1 24 24 PRO CB C 24 31.220 31.220 30.903 0.317 19333 61 1 . 1 1 25 25 PRO CA C 25 59.110 59.110 63.204 -4.094 19333 62 1 . 1 1 26 26 LEU N N 26 121.710 121.710 122.150 -0.440 19333 63 1 . 1 1 26 26 LEU CA C 26 55.960 55.960 52.638 3.322 19333 64 1 . 1 1 26 26 LEU CB C 26 32.940 32.940 40.964 -8.024 19333 65 1 . 1 1 26 26 LEU H H 26 8.400 8.400 8.237 0.163 19333 66 1 . 1 1 27 27 PRO CA C 27 62.730 62.730 64.944 -2.214 19333 67 1 . 1 1 27 27 PRO CB C 27 32.410 32.410 31.334 1.076 19333 68 1 . 1 1 28 28 SER N N 28 115.780 115.780 113.344 2.436 19333 69 1 . 1 1 28 28 SER CA C 28 58.020 58.020 59.869 -1.849 19333 70 1 . 1 1 28 28 SER CB C 28 64.150 64.150 63.397 0.753 19333 71 1 . 1 1 28 28 SER H H 28 8.340 8.340 8.314 0.026 19333 72 1 . 1 1 29 29 VAL N N 29 121.980 121.980 120.384 1.596 19333 73 1 . 1 1 29 29 VAL CA C 29 62.160 62.160 61.671 0.489 19333 74 1 . 1 1 29 29 VAL CB C 29 32.930 32.930 33.599 -0.669 19333 75 1 . 1 1 29 29 VAL H H 29 8.120 8.120 7.548 0.572 19333 76 1 . 1 1 30 30 ARG CA C 30 56.100 56.100 55.837 0.263 19333 77 1 . 1 1 30 30 ARG CB C 30 31.130 31.130 30.506 0.624 19333 78 1 . 1 1 31 31 LYS N N 31 112.500 112.500 121.639 -9.139 19333 79 1 . 1 1 31 31 LYS CA C 31 56.860 56.860 55.434 1.426 19333 80 1 . 1 1 31 31 LYS CB C 31 29.500 29.500 36.221 -6.721 19333 81 1 . 1 1 31 31 LYS H H 31 7.820 7.820 8.041 -0.222 19333 82 1 . 1 1 32 32 LEU N N 32 119.340 119.340 120.074 -0.734 19333 83 1 . 1 1 32 32 LEU CA C 32 52.900 52.900 54.635 -1.735 19333 84 1 . 1 1 32 32 LEU CB C 32 38.860 38.860 42.308 -3.449 19333 85 1 . 1 1 32 32 LEU H H 32 8.090 8.090 8.406 -0.316 19333 86 1 . 1 1 33 33 THR N N 33 114.030 114.030 115.756 -1.726 19333 87 1 . 1 1 33 33 THR CA C 33 61.510 61.510 61.323 0.187 19333 88 1 . 1 1 33 33 THR CB C 33 69.990 69.990 70.111 -0.121 19333 89 1 . 1 1 33 33 THR H H 33 8.030 8.030 8.225 -0.195 19333 90 1 . 1 1 34 34 GLU N N 34 123.520 123.520 121.566 1.954 19333 91 1 . 1 1 34 34 GLU CA C 34 55.710 55.710 55.726 -0.016 19333 92 1 . 1 1 34 34 GLU CB C 34 30.860 30.860 31.010 -0.149 19333 93 1 . 1 1 34 34 GLU H H 34 8.360 8.360 8.500 -0.140 19333 94 1 . 1 1 35 35 ASP CA C 35 58.420 58.420 55.057 3.363 19333 95 1 . 1 1 35 35 ASP CB C 35 38.800 38.800 42.068 -3.268 19333 96 1 . 1 1 36 36 ARG N N 36 120.190 120.190 117.491 2.699 19333 97 1 . 1 1 36 36 ARG CA C 36 56.980 56.980 56.557 0.423 19333 98 1 . 1 1 36 36 ARG CB C 36 29.500 29.500 32.428 -2.928 19333 99 1 . 1 1 36 36 ARG H H 36 8.030 8.030 8.065 -0.035 19333 stop_ save_