data_19399 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19399 _Entry.PDB_ID 2MBH 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 19399 _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 23 23 ILE N N 23 121.672 121.672 120.260 1.412 19399 2 1 1 . 1 1 23 23 ILE HA H 23 3.620 3.620 3.930 -0.310 19399 3 1 1 . 1 1 23 23 ILE CA C 23 62.149 62.149 61.967 0.182 19399 4 1 1 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.619 -4.230 19399 5 1 1 . 1 1 23 23 ILE H H 23 8.504 8.504 7.935 0.569 19399 6 1 1 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.206 -0.327 19399 7 1 1 . 1 1 24 24 GLU CA C 24 60.225 60.225 60.241 -0.016 19399 8 1 1 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.316 -0.988 19399 9 1 1 . 1 1 25 25 ASN N N 25 121.465 121.465 116.005 5.460 19399 10 1 1 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.501 0.004 19399 11 1 1 . 1 1 25 25 ASN CA C 25 56.035 56.035 56.299 -0.264 19399 12 1 1 . 1 1 25 25 ASN CB C 25 38.329 38.329 37.599 0.730 19399 13 1 1 . 1 1 25 25 ASN H H 25 7.903 7.903 8.499 -0.596 19399 14 1 1 . 1 1 26 26 VAL N N 26 122.565 122.565 118.072 4.493 19399 15 1 1 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.808 -0.441 19399 16 1 1 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.267 2.401 19399 17 1 1 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.651 -0.774 19399 18 1 1 . 1 1 26 26 VAL H H 26 8.103 8.103 8.086 0.017 19399 19 1 1 . 1 1 27 27 LYS N N 27 119.302 119.302 118.527 0.775 19399 20 1 1 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.210 0.348 19399 21 1 1 . 1 1 27 27 LYS CA C 27 59.265 59.265 58.121 1.144 19399 22 1 1 . 1 1 27 27 LYS CB C 27 33.713 33.713 31.915 1.798 19399 23 1 1 . 1 1 27 27 LYS H H 27 8.509 8.509 7.339 1.170 19399 24 1 1 . 1 1 28 28 ALA N N 28 123.716 123.716 122.608 1.108 19399 25 1 1 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.199 -0.063 19399 26 1 1 . 1 1 28 28 ALA CA C 28 55.340 55.340 54.823 0.517 19399 27 1 1 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.513 -0.725 19399 28 1 1 . 1 1 28 28 ALA H H 28 7.961 7.961 7.889 0.072 19399 29 1 1 . 1 1 29 29 LYS N N 29 120.704 120.704 119.138 1.566 19399 30 1 1 . 1 1 29 29 LYS HA H 29 4.178 4.178 3.962 0.216 19399 31 1 1 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.489 0.130 19399 32 1 1 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.035 1.258 19399 33 1 1 . 1 1 29 29 LYS H H 29 7.884 7.884 7.551 0.333 19399 34 1 1 . 1 1 30 30 ILE N N 30 121.823 121.823 120.825 0.998 19399 35 1 1 . 1 1 30 30 ILE HA H 30 3.480 3.480 4.014 -0.534 19399 36 1 1 . 1 1 30 30 ILE CA C 30 66.081 66.081 63.590 2.491 19399 37 1 1 . 1 1 30 30 ILE CB C 30 36.871 36.871 38.738 -1.867 19399 38 1 1 . 1 1 30 30 ILE H H 30 8.245 8.245 8.242 0.003 19399 39 1 1 . 1 1 31 31 GLN N N 31 123.747 123.747 119.166 4.581 19399 40 1 1 . 1 1 31 31 GLN HA H 31 3.793 3.793 4.026 -0.233 19399 41 1 1 . 1 1 31 31 GLN CA C 31 59.982 59.982 58.588 1.394 19399 42 1 1 . 1 1 31 31 GLN CB C 31 27.649 27.649 29.244 -1.595 19399 43 1 1 . 1 1 31 31 GLN H H 31 8.502 8.502 8.266 0.236 19399 44 1 1 . 1 1 32 32 ASP N N 32 120.236 120.236 119.851 0.385 19399 45 1 1 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.337 -0.025 19399 46 1 1 . 1 1 32 32 ASP CA C 32 57.220 57.220 57.645 -0.424 19399 47 1 1 . 1 1 32 32 ASP CB C 32 40.536 40.536 40.722 -0.186 19399 48 1 1 . 1 1 32 32 ASP H H 32 8.071 8.071 8.533 -0.462 19399 49 1 1 . 1 1 33 33 LYS N N 33 115.876 115.876 118.868 -2.992 19399 50 1 1 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.121 0.175 19399 51 1 1 . 1 1 33 33 LYS CA C 33 58.018 58.018 59.160 -1.142 19399 52 1 1 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.097 2.038 19399 53 1 1 . 1 1 33 33 LYS H H 33 7.445 7.445 7.639 -0.194 19399 54 1 1 . 1 1 34 34 GLU N N 34 114.203 114.203 121.580 -7.377 19399 55 1 1 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.778 0.825 19399 56 1 1 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.409 -3.300 19399 57 1 1 . 1 1 34 34 GLU CB C 34 32.709 32.709 28.781 3.928 19399 58 1 1 . 1 1 34 34 GLU H H 34 8.665 8.665 7.396 1.269 19399 59 1 1 . 1 1 35 35 GLY N N 35 109.243 109.243 105.940 3.303 19399 60 1 1 . 1 1 35 35 GLY CA C 35 45.970 45.970 45.946 0.025 19399 61 1 1 . 1 1 35 35 GLY H H 35 8.478 8.478 7.742 0.736 19399 62 1 1 . 1 1 36 36 ILE N N 36 120.726 120.726 120.337 0.389 19399 63 1 1 . 1 1 36 36 ILE HA H 36 4.348 4.348 3.889 0.459 19399 64 1 1 . 1 1 36 36 ILE CA C 36 57.631 57.631 63.329 -5.698 19399 65 1 1 . 1 1 36 36 ILE CB C 36 40.385 40.385 37.791 2.594 19399 66 1 1 . 1 1 36 36 ILE H H 36 6.114 6.114 7.630 -1.516 19399 67 1 1 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.232 0.374 19399 68 1 1 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.293 -1.735 19399 69 1 1 . 1 1 37 37 PRO CB C 37 31.759 31.759 30.785 0.974 19399 70 1 1 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.466 -0.369 19399 71 1 1 . 1 1 38 38 PRO CA C 38 66.022 66.022 62.989 3.033 19399 72 1 1 . 1 1 38 38 PRO CB C 38 32.892 32.892 32.049 0.843 19399 73 1 1 . 1 1 39 39 ASP N N 39 113.783 113.783 120.628 -6.845 19399 74 1 1 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.413 -0.019 19399 75 1 1 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.159 1.450 19399 76 1 1 . 1 1 39 39 ASP CB C 39 39.411 39.411 38.030 1.381 19399 77 1 1 . 1 1 39 39 ASP H H 39 8.512 8.512 8.436 0.076 19399 78 1 2 . 1 1 23 23 ILE N N 23 121.672 121.672 117.123 4.549 19399 79 1 2 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.532 -0.912 19399 80 1 2 . 1 1 23 23 ILE CA C 23 62.149 62.149 61.174 0.975 19399 81 1 2 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.916 -4.527 19399 82 1 2 . 1 1 23 23 ILE H H 23 8.504 8.504 8.232 0.272 19399 83 1 2 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.294 -0.415 19399 84 1 2 . 1 1 24 24 GLU CA C 24 60.225 60.225 59.529 0.696 19399 85 1 2 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.460 -1.132 19399 86 1 2 . 1 1 25 25 ASN N N 25 121.465 121.465 117.111 4.354 19399 87 1 2 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.221 0.284 19399 88 1 2 . 1 1 25 25 ASN CA C 25 56.035 56.035 56.273 -0.237 19399 89 1 2 . 1 1 25 25 ASN CB C 25 38.329 38.329 37.684 0.645 19399 90 1 2 . 1 1 25 25 ASN H H 25 7.903 7.903 8.505 -0.602 19399 91 1 2 . 1 1 26 26 VAL N N 26 122.565 122.565 118.915 3.650 19399 92 1 2 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.754 -0.387 19399 93 1 2 . 1 1 26 26 VAL CA C 26 67.668 67.668 66.090 1.578 19399 94 1 2 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.712 -0.835 19399 95 1 2 . 1 1 26 26 VAL H H 26 8.103 8.103 8.143 -0.040 19399 96 1 2 . 1 1 27 27 LYS N N 27 119.302 119.302 118.297 1.005 19399 97 1 2 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.250 0.308 19399 98 1 2 . 1 1 27 27 LYS CA C 27 59.265 59.265 57.666 1.599 19399 99 1 2 . 1 1 27 27 LYS CB C 27 33.713 33.713 31.565 2.148 19399 100 1 2 . 1 1 27 27 LYS H H 27 8.509 8.509 7.382 1.127 19399 101 1 2 . 1 1 28 28 ALA N N 28 123.716 123.716 123.381 0.335 19399 102 1 2 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.328 -0.192 19399 103 1 2 . 1 1 28 28 ALA CA C 28 55.340 55.340 54.420 0.920 19399 104 1 2 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.347 -0.559 19399 105 1 2 . 1 1 28 28 ALA H H 28 7.961 7.961 7.061 0.900 19399 106 1 2 . 1 1 29 29 LYS N N 29 120.704 120.704 119.544 1.160 19399 107 1 2 . 1 1 29 29 LYS HA H 29 4.178 4.178 3.972 0.206 19399 108 1 2 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.484 0.135 19399 109 1 2 . 1 1 29 29 LYS CB C 29 33.293 33.293 31.983 1.310 19399 110 1 2 . 1 1 29 29 LYS H H 29 7.884 7.884 7.774 0.110 19399 111 1 2 . 1 1 30 30 ILE N N 30 121.823 121.823 121.153 0.670 19399 112 1 2 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.903 -0.423 19399 113 1 2 . 1 1 30 30 ILE CA C 30 66.081 66.081 63.962 2.119 19399 114 1 2 . 1 1 30 30 ILE CB C 30 36.871 36.871 38.389 -1.518 19399 115 1 2 . 1 1 30 30 ILE H H 30 8.245 8.245 8.009 0.236 19399 116 1 2 . 1 1 31 31 GLN N N 31 123.747 123.747 116.749 6.998 19399 117 1 2 . 1 1 31 31 GLN HA H 31 3.793 3.793 4.133 -0.340 19399 118 1 2 . 1 1 31 31 GLN CA C 31 59.982 59.982 55.461 4.521 19399 119 1 2 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.469 -0.820 19399 120 1 2 . 1 1 31 31 GLN H H 31 8.502 8.502 8.229 0.273 19399 121 1 2 . 1 1 32 32 ASP N N 32 120.236 120.236 119.543 0.693 19399 122 1 2 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.748 -0.436 19399 123 1 2 . 1 1 32 32 ASP CA C 32 57.220 57.220 55.810 1.410 19399 124 1 2 . 1 1 32 32 ASP CB C 32 40.536 40.536 41.712 -1.176 19399 125 1 2 . 1 1 32 32 ASP H H 32 8.071 8.071 7.874 0.197 19399 126 1 2 . 1 1 33 33 LYS N N 33 115.876 115.876 116.872 -0.996 19399 127 1 2 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.357 -0.062 19399 128 1 2 . 1 1 33 33 LYS CA C 33 58.018 58.018 57.613 0.405 19399 129 1 2 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.625 1.510 19399 130 1 2 . 1 1 33 33 LYS H H 33 7.445 7.445 7.781 -0.336 19399 131 1 2 . 1 1 34 34 GLU N N 34 114.203 114.203 120.887 -6.684 19399 132 1 2 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.824 0.779 19399 133 1 2 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.996 -3.887 19399 134 1 2 . 1 1 34 34 GLU CB C 34 32.709 32.709 29.331 3.378 19399 135 1 2 . 1 1 34 34 GLU H H 34 8.665 8.665 7.956 0.709 19399 136 1 2 . 1 1 35 35 GLY N N 35 109.243 109.243 106.087 3.156 19399 137 1 2 . 1 1 35 35 GLY CA C 35 45.970 45.970 46.430 -0.460 19399 138 1 2 . 1 1 35 35 GLY H H 35 8.478 8.478 8.432 0.046 19399 139 1 2 . 1 1 36 36 ILE N N 36 120.726 120.726 121.262 -0.536 19399 140 1 2 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.216 0.132 19399 141 1 2 . 1 1 36 36 ILE CA C 36 57.631 57.631 61.508 -3.877 19399 142 1 2 . 1 1 36 36 ILE CB C 36 40.385 40.385 36.575 3.810 19399 143 1 2 . 1 1 36 36 ILE H H 36 6.114 6.114 7.263 -1.149 19399 144 1 2 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.633 -0.027 19399 145 1 2 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.288 -1.730 19399 146 1 2 . 1 1 37 37 PRO CB C 37 31.759 31.759 33.346 -1.587 19399 147 1 2 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.494 -0.397 19399 148 1 2 . 1 1 38 38 PRO CA C 38 66.022 66.022 63.243 2.779 19399 149 1 2 . 1 1 38 38 PRO CB C 38 32.892 32.892 32.992 -0.100 19399 150 1 2 . 1 1 39 39 ASP N N 39 113.783 113.783 118.514 -4.731 19399 151 1 2 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.446 -0.052 19399 152 1 2 . 1 1 39 39 ASP CA C 39 55.609 55.609 55.445 0.164 19399 153 1 2 . 1 1 39 39 ASP CB C 39 39.411 39.411 38.500 0.911 19399 154 1 2 . 1 1 39 39 ASP H H 39 8.512 8.512 8.480 0.032 19399 155 1 3 . 1 1 23 23 ILE N N 23 121.672 121.672 117.500 4.172 19399 156 1 3 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.263 -0.643 19399 157 1 3 . 1 1 23 23 ILE CA C 23 62.149 62.149 60.784 1.365 19399 158 1 3 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.273 -3.884 19399 159 1 3 . 1 1 23 23 ILE H H 23 8.504 8.504 8.013 0.491 19399 160 1 3 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.438 -0.559 19399 161 1 3 . 1 1 24 24 GLU CA C 24 60.225 60.225 58.853 1.372 19399 162 1 3 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.890 -1.562 19399 163 1 3 . 1 1 25 25 ASN N N 25 121.465 121.465 115.945 5.520 19399 164 1 3 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.408 0.097 19399 165 1 3 . 1 1 25 25 ASN CA C 25 56.035 56.035 55.084 0.951 19399 166 1 3 . 1 1 25 25 ASN CB C 25 38.329 38.329 38.414 -0.086 19399 167 1 3 . 1 1 25 25 ASN H H 25 7.903 7.903 8.131 -0.228 19399 168 1 3 . 1 1 26 26 VAL N N 26 122.565 122.565 119.596 2.969 19399 169 1 3 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.785 -0.418 19399 170 1 3 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.823 1.845 19399 171 1 3 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.977 -1.101 19399 172 1 3 . 1 1 26 26 VAL H H 26 8.103 8.103 7.831 0.272 19399 173 1 3 . 1 1 27 27 LYS N N 27 119.302 119.302 117.919 1.383 19399 174 1 3 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.244 0.314 19399 175 1 3 . 1 1 27 27 LYS CA C 27 59.265 59.265 57.899 1.366 19399 176 1 3 . 1 1 27 27 LYS CB C 27 33.713 33.713 31.506 2.207 19399 177 1 3 . 1 1 27 27 LYS H H 27 8.509 8.509 7.502 1.007 19399 178 1 3 . 1 1 28 28 ALA N N 28 123.716 123.716 123.124 0.592 19399 179 1 3 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.353 -0.217 19399 180 1 3 . 1 1 28 28 ALA CA C 28 55.340 55.340 54.446 0.894 19399 181 1 3 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.383 -0.595 19399 182 1 3 . 1 1 28 28 ALA H H 28 7.961 7.961 7.371 0.590 19399 183 1 3 . 1 1 29 29 LYS N N 29 120.704 120.704 119.393 1.311 19399 184 1 3 . 1 1 29 29 LYS HA H 29 4.178 4.178 3.958 0.220 19399 185 1 3 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.460 0.159 19399 186 1 3 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.031 1.262 19399 187 1 3 . 1 1 29 29 LYS H H 29 7.884 7.884 7.594 0.290 19399 188 1 3 . 1 1 30 30 ILE N N 30 121.823 121.823 121.487 0.336 19399 189 1 3 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.997 -0.517 19399 190 1 3 . 1 1 30 30 ILE CA C 30 66.081 66.081 63.501 2.580 19399 191 1 3 . 1 1 30 30 ILE CB C 30 36.871 36.871 38.340 -1.470 19399 192 1 3 . 1 1 30 30 ILE H H 30 8.245 8.245 8.012 0.233 19399 193 1 3 . 1 1 31 31 GLN N N 31 123.747 123.747 119.123 4.624 19399 194 1 3 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.697 0.096 19399 195 1 3 . 1 1 31 31 GLN CA C 31 59.982 59.982 59.874 0.108 19399 196 1 3 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.724 -1.075 19399 197 1 3 . 1 1 31 31 GLN H H 31 8.502 8.502 8.505 -0.003 19399 198 1 3 . 1 1 32 32 ASP N N 32 120.236 120.236 118.083 2.153 19399 199 1 3 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.411 -0.099 19399 200 1 3 . 1 1 32 32 ASP CA C 32 57.220 57.220 56.873 0.347 19399 201 1 3 . 1 1 32 32 ASP CB C 32 40.536 40.536 40.883 -0.347 19399 202 1 3 . 1 1 32 32 ASP H H 32 8.071 8.071 7.651 0.420 19399 203 1 3 . 1 1 33 33 LYS N N 33 115.876 115.876 119.779 -3.903 19399 204 1 3 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.117 0.179 19399 205 1 3 . 1 1 33 33 LYS CA C 33 58.018 58.018 59.245 -1.227 19399 206 1 3 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.986 1.149 19399 207 1 3 . 1 1 33 33 LYS H H 33 7.445 7.445 7.430 0.015 19399 208 1 3 . 1 1 34 34 GLU N N 34 114.203 114.203 120.171 -5.968 19399 209 1 3 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.747 0.856 19399 210 1 3 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.467 -3.358 19399 211 1 3 . 1 1 34 34 GLU CB C 34 32.709 32.709 28.013 4.696 19399 212 1 3 . 1 1 34 34 GLU H H 34 8.665 8.665 8.108 0.557 19399 213 1 3 . 1 1 35 35 GLY N N 35 109.243 109.243 106.303 2.940 19399 214 1 3 . 1 1 35 35 GLY CA C 35 45.970 45.970 45.999 -0.029 19399 215 1 3 . 1 1 35 35 GLY H H 35 8.478 8.478 7.411 1.067 19399 216 1 3 . 1 1 36 36 ILE N N 36 120.726 120.726 120.181 0.545 19399 217 1 3 . 1 1 36 36 ILE HA H 36 4.348 4.348 3.894 0.454 19399 218 1 3 . 1 1 36 36 ILE CA C 36 57.631 57.631 63.110 -5.479 19399 219 1 3 . 1 1 36 36 ILE CB C 36 40.385 40.385 37.999 2.386 19399 220 1 3 . 1 1 36 36 ILE H H 36 6.114 6.114 7.556 -1.442 19399 221 1 3 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.275 0.331 19399 222 1 3 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.832 -2.274 19399 223 1 3 . 1 1 37 37 PRO CB C 37 31.759 31.759 32.313 -0.554 19399 224 1 3 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.302 -0.205 19399 225 1 3 . 1 1 38 38 PRO CA C 38 66.022 66.022 63.896 2.126 19399 226 1 3 . 1 1 38 38 PRO CB C 38 32.892 32.892 32.485 0.407 19399 227 1 3 . 1 1 39 39 ASP N N 39 113.783 113.783 120.764 -6.981 19399 228 1 3 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.596 -0.202 19399 229 1 3 . 1 1 39 39 ASP CA C 39 55.609 55.609 55.519 0.090 19399 230 1 3 . 1 1 39 39 ASP CB C 39 39.411 39.411 41.223 -1.812 19399 231 1 3 . 1 1 39 39 ASP H H 39 8.512 8.512 8.623 -0.111 19399 232 1 4 . 1 1 23 23 ILE N N 23 121.672 121.672 121.005 0.667 19399 233 1 4 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.224 -0.605 19399 234 1 4 . 1 1 23 23 ILE CA C 23 62.149 62.149 62.154 -0.005 19399 235 1 4 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.026 -3.636 19399 236 1 4 . 1 1 23 23 ILE H H 23 8.504 8.504 7.818 0.686 19399 237 1 4 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.091 -0.212 19399 238 1 4 . 1 1 24 24 GLU CA C 24 60.225 60.225 60.589 -0.364 19399 239 1 4 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.473 -1.145 19399 240 1 4 . 1 1 25 25 ASN N N 25 121.465 121.465 117.774 3.691 19399 241 1 4 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.525 -0.020 19399 242 1 4 . 1 1 25 25 ASN CA C 25 56.035 56.035 56.848 -0.813 19399 243 1 4 . 1 1 25 25 ASN CB C 25 38.329 38.329 37.425 0.904 19399 244 1 4 . 1 1 25 25 ASN H H 25 7.903 7.903 8.748 -0.845 19399 245 1 4 . 1 1 26 26 VAL N N 26 122.565 122.565 119.614 2.951 19399 246 1 4 . 1 1 26 26 VAL HA H 26 3.367 3.367 4.002 -0.635 19399 247 1 4 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.664 2.004 19399 248 1 4 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.490 -0.613 19399 249 1 4 . 1 1 26 26 VAL H H 26 8.103 8.103 8.355 -0.252 19399 250 1 4 . 1 1 27 27 LYS N N 27 119.302 119.302 119.280 0.022 19399 251 1 4 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.297 0.261 19399 252 1 4 . 1 1 27 27 LYS CA C 27 59.265 59.265 58.723 0.542 19399 253 1 4 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.786 0.927 19399 254 1 4 . 1 1 27 27 LYS H H 27 8.509 8.509 7.740 0.769 19399 255 1 4 . 1 1 28 28 ALA N N 28 123.716 123.716 123.199 0.517 19399 256 1 4 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.087 0.049 19399 257 1 4 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.684 -0.345 19399 258 1 4 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.812 -1.024 19399 259 1 4 . 1 1 28 28 ALA H H 28 7.961 7.961 8.838 -0.877 19399 260 1 4 . 1 1 29 29 LYS N N 29 120.704 120.704 118.943 1.761 19399 261 1 4 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.021 0.157 19399 262 1 4 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.426 0.193 19399 263 1 4 . 1 1 29 29 LYS CB C 29 33.293 33.293 31.773 1.520 19399 264 1 4 . 1 1 29 29 LYS H H 29 7.884 7.884 8.050 -0.166 19399 265 1 4 . 1 1 30 30 ILE N N 30 121.823 121.823 120.124 1.699 19399 266 1 4 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.990 -0.510 19399 267 1 4 . 1 1 30 30 ILE CA C 30 66.081 66.081 62.827 3.254 19399 268 1 4 . 1 1 30 30 ILE CB C 30 36.871 36.871 38.056 -1.185 19399 269 1 4 . 1 1 30 30 ILE H H 30 8.245 8.245 7.479 0.766 19399 270 1 4 . 1 1 31 31 GLN N N 31 123.747 123.747 119.462 4.285 19399 271 1 4 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.391 0.402 19399 272 1 4 . 1 1 31 31 GLN CA C 31 59.982 59.982 57.891 2.091 19399 273 1 4 . 1 1 31 31 GLN CB C 31 27.649 27.649 29.029 -1.379 19399 274 1 4 . 1 1 31 31 GLN H H 31 8.502 8.502 8.064 0.438 19399 275 1 4 . 1 1 32 32 ASP N N 32 120.236 120.236 119.907 0.329 19399 276 1 4 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.560 -0.248 19399 277 1 4 . 1 1 32 32 ASP CA C 32 57.220 57.220 56.820 0.400 19399 278 1 4 . 1 1 32 32 ASP CB C 32 40.536 40.536 40.822 -0.286 19399 279 1 4 . 1 1 32 32 ASP H H 32 8.071 8.071 8.036 0.035 19399 280 1 4 . 1 1 33 33 LYS N N 33 115.876 115.876 119.782 -3.906 19399 281 1 4 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.056 0.240 19399 282 1 4 . 1 1 33 33 LYS CA C 33 58.018 58.018 59.685 -1.667 19399 283 1 4 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.635 1.500 19399 284 1 4 . 1 1 33 33 LYS H H 33 7.445 7.445 7.604 -0.159 19399 285 1 4 . 1 1 34 34 GLU N N 34 114.203 114.203 121.892 -7.689 19399 286 1 4 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.842 0.761 19399 287 1 4 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.669 -3.560 19399 288 1 4 . 1 1 34 34 GLU CB C 34 32.709 32.709 28.794 3.915 19399 289 1 4 . 1 1 34 34 GLU H H 34 8.665 8.665 7.565 1.100 19399 290 1 4 . 1 1 35 35 GLY N N 35 109.243 109.243 105.350 3.893 19399 291 1 4 . 1 1 35 35 GLY CA C 35 45.970 45.970 44.062 1.908 19399 292 1 4 . 1 1 35 35 GLY H H 35 8.478 8.478 7.549 0.929 19399 293 1 4 . 1 1 36 36 ILE N N 36 120.726 120.726 121.686 -0.960 19399 294 1 4 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.242 0.106 19399 295 1 4 . 1 1 36 36 ILE CA C 36 57.631 57.631 62.062 -4.431 19399 296 1 4 . 1 1 36 36 ILE CB C 36 40.385 40.385 38.849 1.536 19399 297 1 4 . 1 1 36 36 ILE H H 36 6.114 6.114 7.937 -1.823 19399 298 1 4 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.047 0.559 19399 299 1 4 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.773 -2.215 19399 300 1 4 . 1 1 37 37 PRO CB C 37 31.759 31.759 30.098 1.661 19399 301 1 4 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.410 -0.313 19399 302 1 4 . 1 1 38 38 PRO CA C 38 66.022 66.022 62.847 3.175 19399 303 1 4 . 1 1 38 38 PRO CB C 38 32.892 32.892 31.654 1.238 19399 304 1 4 . 1 1 39 39 ASP N N 39 113.783 113.783 119.633 -5.850 19399 305 1 4 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.485 -0.091 19399 306 1 4 . 1 1 39 39 ASP CA C 39 55.609 55.609 53.898 1.711 19399 307 1 4 . 1 1 39 39 ASP CB C 39 39.411 39.411 40.671 -1.260 19399 308 1 4 . 1 1 39 39 ASP H H 39 8.512 8.512 7.818 0.694 19399 309 1 5 . 1 1 23 23 ILE N N 23 121.672 121.672 121.980 -0.308 19399 310 1 5 . 1 1 23 23 ILE HA H 23 3.620 3.620 3.965 -0.345 19399 311 1 5 . 1 1 23 23 ILE CA C 23 62.149 62.149 63.939 -1.790 19399 312 1 5 . 1 1 23 23 ILE CB C 23 34.389 34.389 37.779 -3.390 19399 313 1 5 . 1 1 23 23 ILE H H 23 8.504 8.504 8.498 0.006 19399 314 1 5 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.073 -0.194 19399 315 1 5 . 1 1 24 24 GLU CA C 24 60.225 60.225 59.083 1.142 19399 316 1 5 . 1 1 24 24 GLU CB C 24 28.328 28.328 28.902 -0.574 19399 317 1 5 . 1 1 25 25 ASN N N 25 121.465 121.465 118.708 2.757 19399 318 1 5 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.473 0.032 19399 319 1 5 . 1 1 25 25 ASN CA C 25 56.035 56.035 55.354 0.681 19399 320 1 5 . 1 1 25 25 ASN CB C 25 38.329 38.329 37.437 0.892 19399 321 1 5 . 1 1 25 25 ASN H H 25 7.903 7.903 8.158 -0.255 19399 322 1 5 . 1 1 26 26 VAL N N 26 122.565 122.565 119.978 2.587 19399 323 1 5 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.914 -0.547 19399 324 1 5 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.026 2.642 19399 325 1 5 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.985 -1.109 19399 326 1 5 . 1 1 26 26 VAL H H 26 8.103 8.103 7.903 0.200 19399 327 1 5 . 1 1 27 27 LYS N N 27 119.302 119.302 120.473 -1.171 19399 328 1 5 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.079 0.479 19399 329 1 5 . 1 1 27 27 LYS CA C 27 59.265 59.265 59.010 0.256 19399 330 1 5 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.639 1.074 19399 331 1 5 . 1 1 27 27 LYS H H 27 8.509 8.509 7.958 0.551 19399 332 1 5 . 1 1 28 28 ALA N N 28 123.716 123.716 121.718 1.998 19399 333 1 5 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.082 0.054 19399 334 1 5 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.252 0.088 19399 335 1 5 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.798 -1.010 19399 336 1 5 . 1 1 28 28 ALA H H 28 7.961 7.961 7.959 0.002 19399 337 1 5 . 1 1 29 29 LYS N N 29 120.704 120.704 118.648 2.056 19399 338 1 5 . 1 1 29 29 LYS HA H 29 4.178 4.178 3.973 0.205 19399 339 1 5 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.438 0.181 19399 340 1 5 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.044 1.250 19399 341 1 5 . 1 1 29 29 LYS H H 29 7.884 7.884 7.755 0.129 19399 342 1 5 . 1 1 30 30 ILE N N 30 121.823 121.823 119.892 1.931 19399 343 1 5 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.813 -0.333 19399 344 1 5 . 1 1 30 30 ILE CA C 30 66.081 66.081 63.034 3.047 19399 345 1 5 . 1 1 30 30 ILE CB C 30 36.871 36.871 37.801 -0.930 19399 346 1 5 . 1 1 30 30 ILE H H 30 8.245 8.245 7.551 0.694 19399 347 1 5 . 1 1 31 31 GLN N N 31 123.747 123.747 118.408 5.339 19399 348 1 5 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.363 0.430 19399 349 1 5 . 1 1 31 31 GLN CA C 31 59.982 59.982 58.069 1.913 19399 350 1 5 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.826 -1.177 19399 351 1 5 . 1 1 31 31 GLN H H 31 8.502 8.502 7.881 0.621 19399 352 1 5 . 1 1 32 32 ASP N N 32 120.236 120.236 118.593 1.643 19399 353 1 5 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.495 -0.183 19399 354 1 5 . 1 1 32 32 ASP CA C 32 57.220 57.220 57.359 -0.139 19399 355 1 5 . 1 1 32 32 ASP CB C 32 40.536 40.536 40.681 -0.145 19399 356 1 5 . 1 1 32 32 ASP H H 32 8.071 8.071 7.784 0.287 19399 357 1 5 . 1 1 33 33 LYS N N 33 115.876 115.876 116.564 -0.688 19399 358 1 5 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.270 0.026 19399 359 1 5 . 1 1 33 33 LYS CA C 33 58.018 58.018 58.034 -0.016 19399 360 1 5 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.737 1.398 19399 361 1 5 . 1 1 33 33 LYS H H 33 7.445 7.445 7.324 0.121 19399 362 1 5 . 1 1 34 34 GLU N N 34 114.203 114.203 120.528 -6.325 19399 363 1 5 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.645 0.958 19399 364 1 5 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.171 -3.062 19399 365 1 5 . 1 1 34 34 GLU CB C 34 32.709 32.709 28.785 3.924 19399 366 1 5 . 1 1 34 34 GLU H H 34 8.665 8.665 7.125 1.540 19399 367 1 5 . 1 1 35 35 GLY N N 35 109.243 109.243 106.193 3.050 19399 368 1 5 . 1 1 35 35 GLY CA C 35 45.970 45.970 46.492 -0.522 19399 369 1 5 . 1 1 35 35 GLY H H 35 8.478 8.478 7.311 1.167 19399 370 1 5 . 1 1 36 36 ILE N N 36 120.726 120.726 120.060 0.666 19399 371 1 5 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.393 -0.045 19399 372 1 5 . 1 1 36 36 ILE CA C 36 57.631 57.631 60.154 -2.523 19399 373 1 5 . 1 1 36 36 ILE CB C 36 40.385 40.385 37.834 2.551 19399 374 1 5 . 1 1 36 36 ILE H H 36 6.114 6.114 7.480 -1.366 19399 375 1 5 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.381 0.225 19399 376 1 5 . 1 1 37 37 PRO CA C 37 61.558 61.558 62.896 -1.338 19399 377 1 5 . 1 1 37 37 PRO CB C 37 31.759 31.759 31.802 -0.042 19399 378 1 5 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.064 0.033 19399 379 1 5 . 1 1 38 38 PRO CA C 38 66.022 66.022 64.770 1.252 19399 380 1 5 . 1 1 38 38 PRO CB C 38 32.892 32.892 30.710 2.182 19399 381 1 5 . 1 1 39 39 ASP N N 39 113.783 113.783 118.479 -4.696 19399 382 1 5 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.740 -0.346 19399 383 1 5 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.723 0.886 19399 384 1 5 . 1 1 39 39 ASP CB C 39 39.411 39.411 41.922 -2.510 19399 385 1 5 . 1 1 39 39 ASP H H 39 8.512 8.512 7.852 0.660 19399 386 1 6 . 1 1 23 23 ILE N N 23 121.672 121.672 122.064 -0.392 19399 387 1 6 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.084 -0.464 19399 388 1 6 . 1 1 23 23 ILE CA C 23 62.149 62.149 61.419 0.730 19399 389 1 6 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.414 -4.025 19399 390 1 6 . 1 1 23 23 ILE H H 23 8.504 8.504 8.022 0.482 19399 391 1 6 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.047 -0.168 19399 392 1 6 . 1 1 24 24 GLU CA C 24 60.225 60.225 59.013 1.212 19399 393 1 6 . 1 1 24 24 GLU CB C 24 28.328 28.328 30.253 -1.925 19399 394 1 6 . 1 1 25 25 ASN N N 25 121.465 121.465 117.996 3.469 19399 395 1 6 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.488 0.017 19399 396 1 6 . 1 1 25 25 ASN CA C 25 56.035 56.035 56.095 -0.060 19399 397 1 6 . 1 1 25 25 ASN CB C 25 38.329 38.329 37.565 0.764 19399 398 1 6 . 1 1 25 25 ASN H H 25 7.903 7.903 8.479 -0.576 19399 399 1 6 . 1 1 26 26 VAL N N 26 122.565 122.565 119.560 3.005 19399 400 1 6 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.808 -0.441 19399 401 1 6 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.276 2.392 19399 402 1 6 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.593 -0.716 19399 403 1 6 . 1 1 26 26 VAL H H 26 8.103 8.103 8.155 -0.052 19399 404 1 6 . 1 1 27 27 LYS N N 27 119.302 119.302 118.107 1.195 19399 405 1 6 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.273 0.285 19399 406 1 6 . 1 1 27 27 LYS CA C 27 59.265 59.265 57.532 1.733 19399 407 1 6 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.002 1.712 19399 408 1 6 . 1 1 27 27 LYS H H 27 8.509 8.509 7.228 1.281 19399 409 1 6 . 1 1 28 28 ALA N N 28 123.716 123.716 123.101 0.615 19399 410 1 6 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.145 -0.009 19399 411 1 6 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.075 0.265 19399 412 1 6 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.750 -0.962 19399 413 1 6 . 1 1 28 28 ALA H H 28 7.961 7.961 7.617 0.344 19399 414 1 6 . 1 1 29 29 LYS N N 29 120.704 120.704 118.703 2.001 19399 415 1 6 . 1 1 29 29 LYS HA H 29 4.178 4.178 3.992 0.186 19399 416 1 6 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.742 -0.124 19399 417 1 6 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.194 1.099 19399 418 1 6 . 1 1 29 29 LYS H H 29 7.884 7.884 8.189 -0.305 19399 419 1 6 . 1 1 30 30 ILE N N 30 121.823 121.823 120.705 1.118 19399 420 1 6 . 1 1 30 30 ILE HA H 30 3.480 3.480 4.078 -0.598 19399 421 1 6 . 1 1 30 30 ILE CA C 30 66.081 66.081 62.862 3.219 19399 422 1 6 . 1 1 30 30 ILE CB C 30 36.871 36.871 38.353 -1.482 19399 423 1 6 . 1 1 30 30 ILE H H 30 8.245 8.245 7.674 0.571 19399 424 1 6 . 1 1 31 31 GLN N N 31 123.747 123.747 120.581 3.166 19399 425 1 6 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.576 0.217 19399 426 1 6 . 1 1 31 31 GLN CA C 31 59.982 59.982 59.982 -0.000 19399 427 1 6 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.802 -1.153 19399 428 1 6 . 1 1 31 31 GLN H H 31 8.502 8.502 8.451 0.051 19399 429 1 6 . 1 1 32 32 ASP N N 32 120.236 120.236 118.885 1.351 19399 430 1 6 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.277 0.035 19399 431 1 6 . 1 1 32 32 ASP CA C 32 57.220 57.220 57.412 -0.192 19399 432 1 6 . 1 1 32 32 ASP CB C 32 40.536 40.536 40.734 -0.198 19399 433 1 6 . 1 1 32 32 ASP H H 32 8.071 8.071 7.912 0.159 19399 434 1 6 . 1 1 33 33 LYS N N 33 115.876 115.876 118.269 -2.393 19399 435 1 6 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.058 0.238 19399 436 1 6 . 1 1 33 33 LYS CA C 33 58.018 58.018 58.655 -0.637 19399 437 1 6 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.819 1.316 19399 438 1 6 . 1 1 33 33 LYS H H 33 7.445 7.445 7.356 0.089 19399 439 1 6 . 1 1 34 34 GLU N N 34 114.203 114.203 121.684 -7.481 19399 440 1 6 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.646 0.957 19399 441 1 6 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.861 -3.752 19399 442 1 6 . 1 1 34 34 GLU CB C 34 32.709 32.709 28.672 4.037 19399 443 1 6 . 1 1 34 34 GLU H H 34 8.665 8.665 7.862 0.803 19399 444 1 6 . 1 1 35 35 GLY N N 35 109.243 109.243 106.885 2.358 19399 445 1 6 . 1 1 35 35 GLY CA C 35 45.970 45.970 46.230 -0.260 19399 446 1 6 . 1 1 35 35 GLY H H 35 8.478 8.478 8.004 0.474 19399 447 1 6 . 1 1 36 36 ILE N N 36 120.726 120.726 118.558 2.168 19399 448 1 6 . 1 1 36 36 ILE HA H 36 4.348 4.348 3.957 0.391 19399 449 1 6 . 1 1 36 36 ILE CA C 36 57.631 57.631 62.600 -4.969 19399 450 1 6 . 1 1 36 36 ILE CB C 36 40.385 40.385 37.620 2.765 19399 451 1 6 . 1 1 36 36 ILE H H 36 6.114 6.114 7.501 -1.387 19399 452 1 6 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.244 0.362 19399 453 1 6 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.706 -2.148 19399 454 1 6 . 1 1 37 37 PRO CB C 37 31.759 31.759 32.090 -0.331 19399 455 1 6 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.202 -0.105 19399 456 1 6 . 1 1 38 38 PRO CA C 38 66.022 66.022 64.325 1.698 19399 457 1 6 . 1 1 38 38 PRO CB C 38 32.892 32.892 30.843 2.050 19399 458 1 6 . 1 1 39 39 ASP N N 39 113.783 113.783 118.597 -4.814 19399 459 1 6 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.497 -0.103 19399 460 1 6 . 1 1 39 39 ASP CA C 39 55.609 55.609 55.715 -0.106 19399 461 1 6 . 1 1 39 39 ASP CB C 39 39.411 39.411 41.059 -1.648 19399 462 1 6 . 1 1 39 39 ASP H H 39 8.512 8.512 8.154 0.358 19399 463 1 7 . 1 1 23 23 ILE N N 23 121.672 121.672 123.622 -1.950 19399 464 1 7 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.288 -0.668 19399 465 1 7 . 1 1 23 23 ILE CA C 23 62.149 62.149 61.092 1.057 19399 466 1 7 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.143 -3.754 19399 467 1 7 . 1 1 23 23 ILE H H 23 8.504 8.504 8.431 0.073 19399 468 1 7 . 1 1 24 24 GLU HA H 24 3.879 3.879 3.995 -0.116 19399 469 1 7 . 1 1 24 24 GLU CA C 24 60.225 60.225 59.270 0.955 19399 470 1 7 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.791 -1.463 19399 471 1 7 . 1 1 25 25 ASN N N 25 121.465 121.465 117.054 4.411 19399 472 1 7 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.634 -0.129 19399 473 1 7 . 1 1 25 25 ASN CA C 25 56.035 56.035 56.195 -0.160 19399 474 1 7 . 1 1 25 25 ASN CB C 25 38.329 38.329 38.410 -0.082 19399 475 1 7 . 1 1 25 25 ASN H H 25 7.903 7.903 8.477 -0.574 19399 476 1 7 . 1 1 26 26 VAL N N 26 122.565 122.565 120.326 2.239 19399 477 1 7 . 1 1 26 26 VAL HA H 26 3.367 3.367 4.008 -0.641 19399 478 1 7 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.543 2.125 19399 479 1 7 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.838 -0.961 19399 480 1 7 . 1 1 26 26 VAL H H 26 8.103 8.103 8.351 -0.248 19399 481 1 7 . 1 1 27 27 LYS N N 27 119.302 119.302 121.901 -2.599 19399 482 1 7 . 1 1 27 27 LYS HA H 27 4.558 4.558 3.777 0.781 19399 483 1 7 . 1 1 27 27 LYS CA C 27 59.265 59.265 58.789 0.476 19399 484 1 7 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.424 1.289 19399 485 1 7 . 1 1 27 27 LYS H H 27 8.509 8.509 8.352 0.157 19399 486 1 7 . 1 1 28 28 ALA N N 28 123.716 123.716 121.498 2.218 19399 487 1 7 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.205 -0.069 19399 488 1 7 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.922 -0.582 19399 489 1 7 . 1 1 28 28 ALA CB C 28 17.788 17.788 17.969 -0.181 19399 490 1 7 . 1 1 28 28 ALA H H 28 7.961 7.961 8.293 -0.332 19399 491 1 7 . 1 1 29 29 LYS N N 29 120.704 120.704 119.331 1.373 19399 492 1 7 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.052 0.126 19399 493 1 7 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.028 0.591 19399 494 1 7 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.008 1.285 19399 495 1 7 . 1 1 29 29 LYS H H 29 7.884 7.884 7.912 -0.028 19399 496 1 7 . 1 1 30 30 ILE N N 30 121.823 121.823 118.563 3.260 19399 497 1 7 . 1 1 30 30 ILE HA H 30 3.480 3.480 4.045 -0.565 19399 498 1 7 . 1 1 30 30 ILE CA C 30 66.081 66.081 60.496 5.585 19399 499 1 7 . 1 1 30 30 ILE CB C 30 36.871 36.871 37.313 -0.442 19399 500 1 7 . 1 1 30 30 ILE H H 30 8.245 8.245 8.562 -0.317 19399 501 1 7 . 1 1 31 31 GLN N N 31 123.747 123.747 121.022 2.725 19399 502 1 7 . 1 1 31 31 GLN HA H 31 3.793 3.793 4.273 -0.480 19399 503 1 7 . 1 1 31 31 GLN CA C 31 59.982 59.982 59.112 0.870 19399 504 1 7 . 1 1 31 31 GLN CB C 31 27.649 27.649 29.557 -1.908 19399 505 1 7 . 1 1 31 31 GLN H H 31 8.502 8.502 8.159 0.343 19399 506 1 7 . 1 1 32 32 ASP N N 32 120.236 120.236 118.554 1.682 19399 507 1 7 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.380 -0.068 19399 508 1 7 . 1 1 32 32 ASP CA C 32 57.220 57.220 57.223 -0.003 19399 509 1 7 . 1 1 32 32 ASP CB C 32 40.536 40.536 40.118 0.418 19399 510 1 7 . 1 1 32 32 ASP H H 32 8.071 8.071 7.945 0.126 19399 511 1 7 . 1 1 33 33 LYS N N 33 115.876 115.876 119.736 -3.860 19399 512 1 7 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.123 0.173 19399 513 1 7 . 1 1 33 33 LYS CA C 33 58.018 58.018 58.665 -0.647 19399 514 1 7 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.335 1.800 19399 515 1 7 . 1 1 33 33 LYS H H 33 7.445 7.445 8.074 -0.629 19399 516 1 7 . 1 1 34 34 GLU N N 34 114.203 114.203 122.264 -8.061 19399 517 1 7 . 1 1 34 34 GLU HA H 34 4.603 4.603 4.055 0.548 19399 518 1 7 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.901 -3.792 19399 519 1 7 . 1 1 34 34 GLU CB C 34 32.709 32.709 29.459 3.250 19399 520 1 7 . 1 1 34 34 GLU H H 34 8.665 8.665 7.732 0.933 19399 521 1 7 . 1 1 35 35 GLY N N 35 109.243 109.243 104.911 4.332 19399 522 1 7 . 1 1 35 35 GLY CA C 35 45.970 45.970 45.817 0.153 19399 523 1 7 . 1 1 35 35 GLY H H 35 8.478 8.478 7.665 0.813 19399 524 1 7 . 1 1 36 36 ILE N N 36 120.726 120.726 120.349 0.377 19399 525 1 7 . 1 1 36 36 ILE HA H 36 4.348 4.348 3.993 0.355 19399 526 1 7 . 1 1 36 36 ILE CA C 36 57.631 57.631 62.252 -4.621 19399 527 1 7 . 1 1 36 36 ILE CB C 36 40.385 40.385 38.585 1.800 19399 528 1 7 . 1 1 36 36 ILE H H 36 6.114 6.114 7.600 -1.486 19399 529 1 7 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.013 0.593 19399 530 1 7 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.622 -2.064 19399 531 1 7 . 1 1 37 37 PRO CB C 37 31.759 31.759 30.511 1.248 19399 532 1 7 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.396 -0.299 19399 533 1 7 . 1 1 38 38 PRO CA C 38 66.022 66.022 63.596 2.426 19399 534 1 7 . 1 1 38 38 PRO CB C 38 32.892 32.892 32.240 0.651 19399 535 1 7 . 1 1 39 39 ASP N N 39 113.783 113.783 119.619 -5.836 19399 536 1 7 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.431 -0.037 19399 537 1 7 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.512 1.097 19399 538 1 7 . 1 1 39 39 ASP CB C 39 39.411 39.411 40.668 -1.257 19399 539 1 7 . 1 1 39 39 ASP H H 39 8.512 8.512 8.404 0.108 19399 540 1 8 . 1 1 23 23 ILE N N 23 121.672 121.672 122.666 -0.994 19399 541 1 8 . 1 1 23 23 ILE HA H 23 3.620 3.620 3.825 -0.205 19399 542 1 8 . 1 1 23 23 ILE CA C 23 62.149 62.149 63.921 -1.772 19399 543 1 8 . 1 1 23 23 ILE CB C 23 34.389 34.389 37.979 -3.590 19399 544 1 8 . 1 1 23 23 ILE H H 23 8.504 8.504 8.054 0.450 19399 545 1 8 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.005 -0.126 19399 546 1 8 . 1 1 24 24 GLU CA C 24 60.225 60.225 59.678 0.547 19399 547 1 8 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.500 -1.172 19399 548 1 8 . 1 1 25 25 ASN N N 25 121.465 121.465 115.789 5.676 19399 549 1 8 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.207 0.298 19399 550 1 8 . 1 1 25 25 ASN CA C 25 56.035 56.035 55.476 0.559 19399 551 1 8 . 1 1 25 25 ASN CB C 25 38.329 38.329 37.731 0.598 19399 552 1 8 . 1 1 25 25 ASN H H 25 7.903 7.903 7.695 0.208 19399 553 1 8 . 1 1 26 26 VAL N N 26 122.565 122.565 119.452 3.113 19399 554 1 8 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.774 -0.407 19399 555 1 8 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.652 2.016 19399 556 1 8 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.876 -0.999 19399 557 1 8 . 1 1 26 26 VAL H H 26 8.103 8.103 7.465 0.638 19399 558 1 8 . 1 1 27 27 LYS N N 27 119.302 119.302 118.468 0.834 19399 559 1 8 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.223 0.335 19399 560 1 8 . 1 1 27 27 LYS CA C 27 59.265 59.265 57.775 1.490 19399 561 1 8 . 1 1 27 27 LYS CB C 27 33.713 33.713 31.414 2.299 19399 562 1 8 . 1 1 27 27 LYS H H 27 8.509 8.509 7.277 1.232 19399 563 1 8 . 1 1 28 28 ALA N N 28 123.716 123.716 123.513 0.203 19399 564 1 8 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.338 -0.202 19399 565 1 8 . 1 1 28 28 ALA CA C 28 55.340 55.340 54.540 0.800 19399 566 1 8 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.390 -0.602 19399 567 1 8 . 1 1 28 28 ALA H H 28 7.961 7.961 7.098 0.863 19399 568 1 8 . 1 1 29 29 LYS N N 29 120.704 120.704 119.474 1.230 19399 569 1 8 . 1 1 29 29 LYS HA H 29 4.178 4.178 3.973 0.205 19399 570 1 8 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.410 0.209 19399 571 1 8 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.007 1.286 19399 572 1 8 . 1 1 29 29 LYS H H 29 7.884 7.884 7.813 0.071 19399 573 1 8 . 1 1 30 30 ILE N N 30 121.823 121.823 121.589 0.234 19399 574 1 8 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.926 -0.446 19399 575 1 8 . 1 1 30 30 ILE CA C 30 66.081 66.081 63.993 2.088 19399 576 1 8 . 1 1 30 30 ILE CB C 30 36.871 36.871 38.399 -1.528 19399 577 1 8 . 1 1 30 30 ILE H H 30 8.245 8.245 8.249 -0.004 19399 578 1 8 . 1 1 31 31 GLN N N 31 123.747 123.747 116.808 6.939 19399 579 1 8 . 1 1 31 31 GLN HA H 31 3.793 3.793 4.160 -0.367 19399 580 1 8 . 1 1 31 31 GLN CA C 31 59.982 59.982 56.020 3.962 19399 581 1 8 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.350 -0.701 19399 582 1 8 . 1 1 31 31 GLN H H 31 8.502 8.502 8.330 0.172 19399 583 1 8 . 1 1 32 32 ASP N N 32 120.236 120.236 120.336 -0.100 19399 584 1 8 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.602 -0.290 19399 585 1 8 . 1 1 32 32 ASP CA C 32 57.220 57.220 56.525 0.695 19399 586 1 8 . 1 1 32 32 ASP CB C 32 40.536 40.536 41.631 -1.095 19399 587 1 8 . 1 1 32 32 ASP H H 32 8.071 8.071 7.908 0.163 19399 588 1 8 . 1 1 33 33 LYS N N 33 115.876 115.876 119.383 -3.507 19399 589 1 8 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.062 0.234 19399 590 1 8 . 1 1 33 33 LYS CA C 33 58.018 58.018 59.265 -1.247 19399 591 1 8 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.193 1.942 19399 592 1 8 . 1 1 33 33 LYS H H 33 7.445 7.445 7.822 -0.377 19399 593 1 8 . 1 1 34 34 GLU N N 34 114.203 114.203 120.001 -5.798 19399 594 1 8 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.916 0.687 19399 595 1 8 . 1 1 34 34 GLU CA C 34 55.109 55.109 59.124 -4.015 19399 596 1 8 . 1 1 34 34 GLU CB C 34 32.709 32.709 29.376 3.333 19399 597 1 8 . 1 1 34 34 GLU H H 34 8.665 8.665 7.951 0.714 19399 598 1 8 . 1 1 35 35 GLY N N 35 109.243 109.243 106.911 2.332 19399 599 1 8 . 1 1 35 35 GLY CA C 35 45.970 45.970 46.649 -0.679 19399 600 1 8 . 1 1 35 35 GLY H H 35 8.478 8.478 7.680 0.798 19399 601 1 8 . 1 1 36 36 ILE N N 36 120.726 120.726 119.625 1.101 19399 602 1 8 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.386 -0.038 19399 603 1 8 . 1 1 36 36 ILE CA C 36 57.631 57.631 60.085 -2.454 19399 604 1 8 . 1 1 36 36 ILE CB C 36 40.385 40.385 37.857 2.528 19399 605 1 8 . 1 1 36 36 ILE H H 36 6.114 6.114 7.521 -1.407 19399 606 1 8 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.178 0.428 19399 607 1 8 . 1 1 37 37 PRO CA C 37 61.558 61.558 64.542 -2.984 19399 608 1 8 . 1 1 37 37 PRO CB C 37 31.759 31.759 30.735 1.024 19399 609 1 8 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.485 -0.388 19399 610 1 8 . 1 1 38 38 PRO CA C 38 66.022 66.022 63.916 2.106 19399 611 1 8 . 1 1 38 38 PRO CB C 38 32.892 32.892 33.212 -0.320 19399 612 1 8 . 1 1 39 39 ASP N N 39 113.783 113.783 122.132 -8.349 19399 613 1 8 . 1 1 39 39 ASP HA H 39 4.394 4.394 5.074 -0.680 19399 614 1 8 . 1 1 39 39 ASP CA C 39 55.609 55.609 53.794 1.815 19399 615 1 8 . 1 1 39 39 ASP CB C 39 39.411 39.411 40.082 -0.671 19399 616 1 8 . 1 1 39 39 ASP H H 39 8.512 8.512 8.157 0.355 19399 617 1 9 . 1 1 23 23 ILE N N 23 121.672 121.672 117.080 4.592 19399 618 1 9 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.349 -0.729 19399 619 1 9 . 1 1 23 23 ILE CA C 23 62.149 62.149 61.133 1.016 19399 620 1 9 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.387 -3.998 19399 621 1 9 . 1 1 23 23 ILE H H 23 8.504 8.504 8.354 0.150 19399 622 1 9 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.306 -0.427 19399 623 1 9 . 1 1 24 24 GLU CA C 24 60.225 60.225 59.090 1.135 19399 624 1 9 . 1 1 24 24 GLU CB C 24 28.328 28.328 30.116 -1.788 19399 625 1 9 . 1 1 25 25 ASN N N 25 121.465 121.465 118.643 2.822 19399 626 1 9 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.515 -0.010 19399 627 1 9 . 1 1 25 25 ASN CA C 25 56.035 56.035 56.713 -0.678 19399 628 1 9 . 1 1 25 25 ASN CB C 25 38.329 38.329 38.435 -0.106 19399 629 1 9 . 1 1 25 25 ASN H H 25 7.903 7.903 8.495 -0.592 19399 630 1 9 . 1 1 26 26 VAL N N 26 122.565 122.565 118.295 4.270 19399 631 1 9 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.924 -0.557 19399 632 1 9 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.561 2.107 19399 633 1 9 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.690 -0.813 19399 634 1 9 . 1 1 26 26 VAL H H 26 8.103 8.103 8.548 -0.445 19399 635 1 9 . 1 1 27 27 LYS N N 27 119.302 119.302 120.157 -0.855 19399 636 1 9 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.362 0.196 19399 637 1 9 . 1 1 27 27 LYS CA C 27 59.265 59.265 58.181 1.084 19399 638 1 9 . 1 1 27 27 LYS CB C 27 33.713 33.713 33.541 0.173 19399 639 1 9 . 1 1 27 27 LYS H H 27 8.509 8.509 7.601 0.908 19399 640 1 9 . 1 1 28 28 ALA N N 28 123.716 123.716 122.868 0.848 19399 641 1 9 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.206 -0.070 19399 642 1 9 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.083 0.257 19399 643 1 9 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.857 -1.069 19399 644 1 9 . 1 1 28 28 ALA H H 28 7.961 7.961 7.894 0.067 19399 645 1 9 . 1 1 29 29 LYS N N 29 120.704 120.704 119.509 1.195 19399 646 1 9 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.106 0.072 19399 647 1 9 . 1 1 29 29 LYS CA C 29 59.619 59.619 58.766 0.853 19399 648 1 9 . 1 1 29 29 LYS CB C 29 33.293 33.293 31.448 1.845 19399 649 1 9 . 1 1 29 29 LYS H H 29 7.884 7.884 8.213 -0.329 19399 650 1 9 . 1 1 30 30 ILE N N 30 121.823 121.823 121.273 0.550 19399 651 1 9 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.847 -0.367 19399 652 1 9 . 1 1 30 30 ILE CA C 30 66.081 66.081 62.874 3.207 19399 653 1 9 . 1 1 30 30 ILE CB C 30 36.871 36.871 37.541 -0.671 19399 654 1 9 . 1 1 30 30 ILE H H 30 8.245 8.245 7.655 0.590 19399 655 1 9 . 1 1 31 31 GLN N N 31 123.747 123.747 119.440 4.307 19399 656 1 9 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.223 0.570 19399 657 1 9 . 1 1 31 31 GLN CA C 31 59.982 59.982 58.473 1.509 19399 658 1 9 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.926 -1.277 19399 659 1 9 . 1 1 31 31 GLN H H 31 8.502 8.502 7.666 0.836 19399 660 1 9 . 1 1 32 32 ASP N N 32 120.236 120.236 117.179 3.057 19399 661 1 9 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.648 -0.336 19399 662 1 9 . 1 1 32 32 ASP CA C 32 57.220 57.220 56.197 1.023 19399 663 1 9 . 1 1 32 32 ASP CB C 32 40.536 40.536 39.879 0.657 19399 664 1 9 . 1 1 32 32 ASP H H 32 8.071 8.071 7.850 0.221 19399 665 1 9 . 1 1 33 33 LYS N N 33 115.876 115.876 118.960 -3.084 19399 666 1 9 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.096 0.200 19399 667 1 9 . 1 1 33 33 LYS CA C 33 58.018 58.018 57.956 0.062 19399 668 1 9 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.329 1.806 19399 669 1 9 . 1 1 33 33 LYS H H 33 7.445 7.445 7.491 -0.046 19399 670 1 9 . 1 1 34 34 GLU N N 34 114.203 114.203 122.465 -8.262 19399 671 1 9 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.678 0.925 19399 672 1 9 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.202 -3.092 19399 673 1 9 . 1 1 34 34 GLU CB C 34 32.709 32.709 28.227 4.482 19399 674 1 9 . 1 1 34 34 GLU H H 34 8.665 8.665 6.988 1.677 19399 675 1 9 . 1 1 35 35 GLY N N 35 109.243 109.243 106.653 2.590 19399 676 1 9 . 1 1 35 35 GLY CA C 35 45.970 45.970 46.150 -0.180 19399 677 1 9 . 1 1 35 35 GLY H H 35 8.478 8.478 7.543 0.935 19399 678 1 9 . 1 1 36 36 ILE N N 36 120.726 120.726 120.246 0.480 19399 679 1 9 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.045 0.303 19399 680 1 9 . 1 1 36 36 ILE CA C 36 57.631 57.631 61.814 -4.183 19399 681 1 9 . 1 1 36 36 ILE CB C 36 40.385 40.385 36.687 3.698 19399 682 1 9 . 1 1 36 36 ILE H H 36 6.114 6.114 7.356 -1.242 19399 683 1 9 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.814 -0.208 19399 684 1 9 . 1 1 37 37 PRO CA C 37 61.558 61.558 62.343 -0.785 19399 685 1 9 . 1 1 37 37 PRO CB C 37 31.759 31.759 32.218 -0.459 19399 686 1 9 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.173 -0.076 19399 687 1 9 . 1 1 38 38 PRO CA C 38 66.022 66.022 65.660 0.362 19399 688 1 9 . 1 1 38 38 PRO CB C 38 32.892 32.892 31.998 0.894 19399 689 1 9 . 1 1 39 39 ASP N N 39 113.783 113.783 115.367 -1.584 19399 690 1 9 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.780 -0.386 19399 691 1 9 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.447 1.162 19399 692 1 9 . 1 1 39 39 ASP CB C 39 39.411 39.411 42.645 -3.234 19399 693 1 9 . 1 1 39 39 ASP H H 39 8.512 8.512 7.703 0.809 19399 694 1 10 . 1 1 23 23 ILE N N 23 121.672 121.672 120.315 1.357 19399 695 1 10 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.275 -0.655 19399 696 1 10 . 1 1 23 23 ILE CA C 23 62.149 62.149 62.429 -0.280 19399 697 1 10 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.634 -4.245 19399 698 1 10 . 1 1 23 23 ILE H H 23 8.504 8.504 7.898 0.606 19399 699 1 10 . 1 1 24 24 GLU HA H 24 3.879 3.879 3.941 -0.062 19399 700 1 10 . 1 1 24 24 GLU CA C 24 60.225 60.225 59.194 1.031 19399 701 1 10 . 1 1 24 24 GLU CB C 24 28.328 28.328 28.793 -0.465 19399 702 1 10 . 1 1 25 25 ASN N N 25 121.465 121.465 114.486 6.979 19399 703 1 10 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.651 -0.146 19399 704 1 10 . 1 1 25 25 ASN CA C 25 56.035 56.035 55.265 0.770 19399 705 1 10 . 1 1 25 25 ASN CB C 25 38.329 38.329 37.935 0.394 19399 706 1 10 . 1 1 25 25 ASN H H 25 7.903 7.903 8.343 -0.440 19399 707 1 10 . 1 1 26 26 VAL N N 26 122.565 122.565 120.499 2.066 19399 708 1 10 . 1 1 26 26 VAL HA H 26 3.367 3.367 4.012 -0.645 19399 709 1 10 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.337 2.331 19399 710 1 10 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.610 -0.733 19399 711 1 10 . 1 1 26 26 VAL H H 26 8.103 8.103 8.144 -0.041 19399 712 1 10 . 1 1 27 27 LYS N N 27 119.302 119.302 121.144 -1.842 19399 713 1 10 . 1 1 27 27 LYS HA H 27 4.558 4.558 3.667 0.891 19399 714 1 10 . 1 1 27 27 LYS CA C 27 59.265 59.265 59.226 0.039 19399 715 1 10 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.285 1.428 19399 716 1 10 . 1 1 27 27 LYS H H 27 8.509 8.509 7.814 0.695 19399 717 1 10 . 1 1 28 28 ALA N N 28 123.716 123.716 121.140 2.576 19399 718 1 10 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.183 -0.047 19399 719 1 10 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.624 -0.284 19399 720 1 10 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.201 -0.413 19399 721 1 10 . 1 1 28 28 ALA H H 28 7.961 7.961 8.001 -0.040 19399 722 1 10 . 1 1 29 29 LYS N N 29 120.704 120.704 120.073 0.631 19399 723 1 10 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.170 0.008 19399 724 1 10 . 1 1 29 29 LYS CA C 29 59.619 59.619 58.580 1.039 19399 725 1 10 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.192 1.101 19399 726 1 10 . 1 1 29 29 LYS H H 29 7.884 7.884 8.505 -0.621 19399 727 1 10 . 1 1 30 30 ILE N N 30 121.823 121.823 118.518 3.305 19399 728 1 10 . 1 1 30 30 ILE HA H 30 3.480 3.480 4.079 -0.599 19399 729 1 10 . 1 1 30 30 ILE CA C 30 66.081 66.081 61.051 5.030 19399 730 1 10 . 1 1 30 30 ILE CB C 30 36.871 36.871 37.803 -0.932 19399 731 1 10 . 1 1 30 30 ILE H H 30 8.245 8.245 8.528 -0.283 19399 732 1 10 . 1 1 31 31 GLN N N 31 123.747 123.747 117.963 5.784 19399 733 1 10 . 1 1 31 31 GLN HA H 31 3.793 3.793 4.554 -0.761 19399 734 1 10 . 1 1 31 31 GLN CA C 31 59.982 59.982 55.726 4.256 19399 735 1 10 . 1 1 31 31 GLN CB C 31 27.649 27.649 29.910 -2.261 19399 736 1 10 . 1 1 31 31 GLN H H 31 8.502 8.502 7.758 0.744 19399 737 1 10 . 1 1 32 32 ASP N N 32 120.236 120.236 121.313 -1.077 19399 738 1 10 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.602 -0.290 19399 739 1 10 . 1 1 32 32 ASP CA C 32 57.220 57.220 55.893 1.327 19399 740 1 10 . 1 1 32 32 ASP CB C 32 40.536 40.536 41.378 -0.842 19399 741 1 10 . 1 1 32 32 ASP H H 32 8.071 8.071 7.710 0.361 19399 742 1 10 . 1 1 33 33 LYS N N 33 115.876 115.876 118.342 -2.466 19399 743 1 10 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.265 0.031 19399 744 1 10 . 1 1 33 33 LYS CA C 33 58.018 58.018 57.848 0.170 19399 745 1 10 . 1 1 33 33 LYS CB C 33 34.135 34.135 33.115 1.020 19399 746 1 10 . 1 1 33 33 LYS H H 33 7.445 7.445 8.281 -0.836 19399 747 1 10 . 1 1 34 34 GLU N N 34 114.203 114.203 121.131 -6.928 19399 748 1 10 . 1 1 34 34 GLU HA H 34 4.603 4.603 4.025 0.578 19399 749 1 10 . 1 1 34 34 GLU CA C 34 55.109 55.109 59.011 -3.902 19399 750 1 10 . 1 1 34 34 GLU CB C 34 32.709 32.709 29.682 3.027 19399 751 1 10 . 1 1 34 34 GLU H H 34 8.665 8.665 8.713 -0.048 19399 752 1 10 . 1 1 35 35 GLY N N 35 109.243 109.243 107.224 2.019 19399 753 1 10 . 1 1 35 35 GLY CA C 35 45.970 45.970 46.486 -0.516 19399 754 1 10 . 1 1 35 35 GLY H H 35 8.478 8.478 8.256 0.222 19399 755 1 10 . 1 1 36 36 ILE N N 36 120.726 120.726 118.482 2.244 19399 756 1 10 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.407 -0.059 19399 757 1 10 . 1 1 36 36 ILE CA C 36 57.631 57.631 61.230 -3.599 19399 758 1 10 . 1 1 36 36 ILE CB C 36 40.385 40.385 36.904 3.481 19399 759 1 10 . 1 1 36 36 ILE H H 36 6.114 6.114 7.092 -0.978 19399 760 1 10 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.194 0.412 19399 761 1 10 . 1 1 37 37 PRO CA C 37 61.558 61.558 65.651 -4.093 19399 762 1 10 . 1 1 37 37 PRO CB C 37 31.759 31.759 32.150 -0.391 19399 763 1 10 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.168 -0.071 19399 764 1 10 . 1 1 38 38 PRO CA C 38 66.022 66.022 65.460 0.562 19399 765 1 10 . 1 1 38 38 PRO CB C 38 32.892 32.892 30.687 2.205 19399 766 1 10 . 1 1 39 39 ASP N N 39 113.783 113.783 119.897 -6.114 19399 767 1 10 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.454 -0.060 19399 768 1 10 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.695 0.914 19399 769 1 10 . 1 1 39 39 ASP CB C 39 39.411 39.411 41.004 -1.593 19399 770 1 10 . 1 1 39 39 ASP H H 39 8.512 8.512 7.929 0.583 19399 771 1 11 . 1 1 23 23 ILE N N 23 121.672 121.672 117.743 3.929 19399 772 1 11 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.464 -0.844 19399 773 1 11 . 1 1 23 23 ILE CA C 23 62.149 62.149 61.646 0.503 19399 774 1 11 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.223 -3.834 19399 775 1 11 . 1 1 23 23 ILE H H 23 8.504 8.504 8.246 0.258 19399 776 1 11 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.141 -0.262 19399 777 1 11 . 1 1 24 24 GLU CA C 24 60.225 60.225 58.745 1.480 19399 778 1 11 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.879 -1.551 19399 779 1 11 . 1 1 25 25 ASN N N 25 121.465 121.465 114.561 6.904 19399 780 1 11 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.744 -0.239 19399 781 1 11 . 1 1 25 25 ASN CA C 25 56.035 56.035 54.587 1.448 19399 782 1 11 . 1 1 25 25 ASN CB C 25 38.329 38.329 37.919 0.410 19399 783 1 11 . 1 1 25 25 ASN H H 25 7.903 7.903 8.317 -0.414 19399 784 1 11 . 1 1 26 26 VAL N N 26 122.565 122.565 120.388 2.177 19399 785 1 11 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.935 -0.568 19399 786 1 11 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.214 2.454 19399 787 1 11 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.995 -1.119 19399 788 1 11 . 1 1 26 26 VAL H H 26 8.103 8.103 7.803 0.300 19399 789 1 11 . 1 1 27 27 LYS N N 27 119.302 119.302 117.297 2.005 19399 790 1 11 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.205 0.353 19399 791 1 11 . 1 1 27 27 LYS CA C 27 59.265 59.265 58.578 0.687 19399 792 1 11 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.321 1.392 19399 793 1 11 . 1 1 27 27 LYS H H 27 8.509 8.509 8.370 0.139 19399 794 1 11 . 1 1 28 28 ALA N N 28 123.716 123.716 121.591 2.125 19399 795 1 11 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.264 -0.128 19399 796 1 11 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.209 0.131 19399 797 1 11 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.735 -0.947 19399 798 1 11 . 1 1 28 28 ALA H H 28 7.961 7.961 7.856 0.105 19399 799 1 11 . 1 1 29 29 LYS N N 29 120.704 120.704 119.655 1.049 19399 800 1 11 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.031 0.147 19399 801 1 11 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.739 -0.120 19399 802 1 11 . 1 1 29 29 LYS CB C 29 33.293 33.293 31.904 1.389 19399 803 1 11 . 1 1 29 29 LYS H H 29 7.884 7.884 7.600 0.284 19399 804 1 11 . 1 1 30 30 ILE N N 30 121.823 121.823 119.931 1.892 19399 805 1 11 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.900 -0.420 19399 806 1 11 . 1 1 30 30 ILE CA C 30 66.081 66.081 64.470 1.611 19399 807 1 11 . 1 1 30 30 ILE CB C 30 36.871 36.871 37.962 -1.091 19399 808 1 11 . 1 1 30 30 ILE H H 30 8.245 8.245 7.744 0.501 19399 809 1 11 . 1 1 31 31 GLN N N 31 123.747 123.747 119.064 4.683 19399 810 1 11 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.631 0.162 19399 811 1 11 . 1 1 31 31 GLN CA C 31 59.982 59.982 57.954 2.028 19399 812 1 11 . 1 1 31 31 GLN CB C 31 27.649 27.649 29.229 -1.580 19399 813 1 11 . 1 1 31 31 GLN H H 31 8.502 8.502 7.952 0.550 19399 814 1 11 . 1 1 32 32 ASP N N 32 120.236 120.236 120.472 -0.236 19399 815 1 11 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.264 0.048 19399 816 1 11 . 1 1 32 32 ASP CA C 32 57.220 57.220 57.363 -0.143 19399 817 1 11 . 1 1 32 32 ASP CB C 32 40.536 40.536 40.508 0.028 19399 818 1 11 . 1 1 32 32 ASP H H 32 8.071 8.071 8.146 -0.075 19399 819 1 11 . 1 1 33 33 LYS N N 33 115.876 115.876 117.892 -2.016 19399 820 1 11 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.072 0.224 19399 821 1 11 . 1 1 33 33 LYS CA C 33 58.018 58.018 59.423 -1.405 19399 822 1 11 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.357 1.778 19399 823 1 11 . 1 1 33 33 LYS H H 33 7.445 7.445 8.037 -0.592 19399 824 1 11 . 1 1 34 34 GLU N N 34 114.203 114.203 121.336 -7.133 19399 825 1 11 . 1 1 34 34 GLU HA H 34 4.603 4.603 4.060 0.543 19399 826 1 11 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.836 -3.727 19399 827 1 11 . 1 1 34 34 GLU CB C 34 32.709 32.709 29.602 3.107 19399 828 1 11 . 1 1 34 34 GLU H H 34 8.665 8.665 7.563 1.102 19399 829 1 11 . 1 1 35 35 GLY N N 35 109.243 109.243 106.555 2.688 19399 830 1 11 . 1 1 35 35 GLY CA C 35 45.970 45.970 43.614 2.356 19399 831 1 11 . 1 1 35 35 GLY H H 35 8.478 8.478 8.097 0.381 19399 832 1 11 . 1 1 36 36 ILE N N 36 120.726 120.726 119.134 1.592 19399 833 1 11 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.062 0.286 19399 834 1 11 . 1 1 36 36 ILE CA C 36 57.631 57.631 62.647 -5.016 19399 835 1 11 . 1 1 36 36 ILE CB C 36 40.385 40.385 37.989 2.396 19399 836 1 11 . 1 1 36 36 ILE H H 36 6.114 6.114 7.193 -1.079 19399 837 1 11 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.299 0.307 19399 838 1 11 . 1 1 37 37 PRO CA C 37 61.558 61.558 64.066 -2.508 19399 839 1 11 . 1 1 37 37 PRO CB C 37 31.759 31.759 32.325 -0.566 19399 840 1 11 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.445 -0.348 19399 841 1 11 . 1 1 38 38 PRO CA C 38 66.022 66.022 64.122 1.900 19399 842 1 11 . 1 1 38 38 PRO CB C 38 32.892 32.892 32.477 0.415 19399 843 1 11 . 1 1 39 39 ASP N N 39 113.783 113.783 120.113 -6.330 19399 844 1 11 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.978 -0.584 19399 845 1 11 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.292 1.317 19399 846 1 11 . 1 1 39 39 ASP CB C 39 39.411 39.411 40.764 -1.353 19399 847 1 11 . 1 1 39 39 ASP H H 39 8.512 8.512 7.913 0.599 19399 848 1 12 . 1 1 23 23 ILE N N 23 121.672 121.672 121.231 0.441 19399 849 1 12 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.224 -0.604 19399 850 1 12 . 1 1 23 23 ILE CA C 23 62.149 62.149 62.250 -0.101 19399 851 1 12 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.328 -3.939 19399 852 1 12 . 1 1 23 23 ILE H H 23 8.504 8.504 7.828 0.676 19399 853 1 12 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.480 -0.601 19399 854 1 12 . 1 1 24 24 GLU CA C 24 60.225 60.225 58.019 2.206 19399 855 1 12 . 1 1 24 24 GLU CB C 24 28.328 28.328 30.012 -1.684 19399 856 1 12 . 1 1 25 25 ASN N N 25 121.465 121.465 118.007 3.458 19399 857 1 12 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.592 -0.087 19399 858 1 12 . 1 1 25 25 ASN CA C 25 56.035 56.035 55.879 0.156 19399 859 1 12 . 1 1 25 25 ASN CB C 25 38.329 38.329 38.219 0.110 19399 860 1 12 . 1 1 25 25 ASN H H 25 7.903 7.903 8.496 -0.593 19399 861 1 12 . 1 1 26 26 VAL N N 26 122.565 122.565 116.984 5.581 19399 862 1 12 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.971 -0.604 19399 863 1 12 . 1 1 26 26 VAL CA C 26 67.668 67.668 64.902 2.766 19399 864 1 12 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.462 -0.585 19399 865 1 12 . 1 1 26 26 VAL H H 26 8.103 8.103 8.522 -0.419 19399 866 1 12 . 1 1 27 27 LYS N N 27 119.302 119.302 119.625 -0.323 19399 867 1 12 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.116 0.442 19399 868 1 12 . 1 1 27 27 LYS CA C 27 59.265 59.265 59.224 0.042 19399 869 1 12 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.767 0.946 19399 870 1 12 . 1 1 27 27 LYS H H 27 8.509 8.509 7.711 0.798 19399 871 1 12 . 1 1 28 28 ALA N N 28 123.716 123.716 122.357 1.359 19399 872 1 12 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.314 -0.178 19399 873 1 12 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.299 0.041 19399 874 1 12 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.715 -0.927 19399 875 1 12 . 1 1 28 28 ALA H H 28 7.961 7.961 7.624 0.337 19399 876 1 12 . 1 1 29 29 LYS N N 29 120.704 120.704 118.635 2.069 19399 877 1 12 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.085 0.093 19399 878 1 12 . 1 1 29 29 LYS CA C 29 59.619 59.619 58.882 0.737 19399 879 1 12 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.031 1.262 19399 880 1 12 . 1 1 29 29 LYS H H 29 7.884 7.884 7.529 0.355 19399 881 1 12 . 1 1 30 30 ILE N N 30 121.823 121.823 120.803 1.020 19399 882 1 12 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.861 -0.381 19399 883 1 12 . 1 1 30 30 ILE CA C 30 66.081 66.081 64.070 2.011 19399 884 1 12 . 1 1 30 30 ILE CB C 30 36.871 36.871 37.458 -0.587 19399 885 1 12 . 1 1 30 30 ILE H H 30 8.245 8.245 7.696 0.549 19399 886 1 12 . 1 1 31 31 GLN N N 31 123.747 123.747 118.695 5.052 19399 887 1 12 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.280 0.513 19399 888 1 12 . 1 1 31 31 GLN CA C 31 59.982 59.982 59.670 0.312 19399 889 1 12 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.645 -0.996 19399 890 1 12 . 1 1 31 31 GLN H H 31 8.502 8.502 7.865 0.637 19399 891 1 12 . 1 1 32 32 ASP N N 32 120.236 120.236 119.738 0.498 19399 892 1 12 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.289 0.023 19399 893 1 12 . 1 1 32 32 ASP CA C 32 57.220 57.220 56.901 0.319 19399 894 1 12 . 1 1 32 32 ASP CB C 32 40.536 40.536 40.596 -0.061 19399 895 1 12 . 1 1 32 32 ASP H H 32 8.071 8.071 7.813 0.258 19399 896 1 12 . 1 1 33 33 LYS N N 33 115.876 115.876 118.339 -2.463 19399 897 1 12 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.052 0.244 19399 898 1 12 . 1 1 33 33 LYS CA C 33 58.018 58.018 58.556 -0.538 19399 899 1 12 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.652 1.483 19399 900 1 12 . 1 1 33 33 LYS H H 33 7.445 7.445 7.475 -0.030 19399 901 1 12 . 1 1 34 34 GLU N N 34 114.203 114.203 122.779 -8.576 19399 902 1 12 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.916 0.687 19399 903 1 12 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.837 -3.728 19399 904 1 12 . 1 1 34 34 GLU CB C 34 32.709 32.709 29.236 3.473 19399 905 1 12 . 1 1 34 34 GLU H H 34 8.665 8.665 7.216 1.449 19399 906 1 12 . 1 1 35 35 GLY N N 35 109.243 109.243 105.020 4.223 19399 907 1 12 . 1 1 35 35 GLY CA C 35 45.970 45.970 45.525 0.445 19399 908 1 12 . 1 1 35 35 GLY H H 35 8.478 8.478 7.726 0.752 19399 909 1 12 . 1 1 36 36 ILE N N 36 120.726 120.726 119.949 0.777 19399 910 1 12 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.176 0.172 19399 911 1 12 . 1 1 36 36 ILE CA C 36 57.631 57.631 62.216 -4.585 19399 912 1 12 . 1 1 36 36 ILE CB C 36 40.385 40.385 38.844 1.541 19399 913 1 12 . 1 1 36 36 ILE H H 36 6.114 6.114 7.411 -1.297 19399 914 1 12 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.336 0.270 19399 915 1 12 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.378 -1.820 19399 916 1 12 . 1 1 37 37 PRO CB C 37 31.759 31.759 32.236 -0.477 19399 917 1 12 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.574 -0.477 19399 918 1 12 . 1 1 38 38 PRO CA C 38 66.022 66.022 63.393 2.629 19399 919 1 12 . 1 1 38 38 PRO CB C 38 32.892 32.892 32.193 0.699 19399 920 1 12 . 1 1 39 39 ASP N N 39 113.783 113.783 116.777 -2.994 19399 921 1 12 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.903 -0.509 19399 922 1 12 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.780 0.829 19399 923 1 12 . 1 1 39 39 ASP CB C 39 39.411 39.411 42.580 -3.169 19399 924 1 12 . 1 1 39 39 ASP H H 39 8.512 8.512 8.131 0.381 19399 925 1 13 . 1 1 23 23 ILE N N 23 121.672 121.672 122.898 -1.226 19399 926 1 13 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.219 -0.599 19399 927 1 13 . 1 1 23 23 ILE CA C 23 62.149 62.149 62.554 -0.405 19399 928 1 13 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.756 -4.367 19399 929 1 13 . 1 1 23 23 ILE H H 23 8.504 8.504 7.938 0.566 19399 930 1 13 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.108 -0.229 19399 931 1 13 . 1 1 24 24 GLU CA C 24 60.225 60.225 60.009 0.216 19399 932 1 13 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.503 -1.175 19399 933 1 13 . 1 1 25 25 ASN N N 25 121.465 121.465 114.139 7.326 19399 934 1 13 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.293 0.212 19399 935 1 13 . 1 1 25 25 ASN CA C 25 56.035 56.035 55.425 0.610 19399 936 1 13 . 1 1 25 25 ASN CB C 25 38.329 38.329 37.272 1.057 19399 937 1 13 . 1 1 25 25 ASN H H 25 7.903 7.903 8.393 -0.490 19399 938 1 13 . 1 1 26 26 VAL N N 26 122.565 122.565 119.389 3.176 19399 939 1 13 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.813 -0.446 19399 940 1 13 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.033 2.635 19399 941 1 13 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.569 -0.692 19399 942 1 13 . 1 1 26 26 VAL H H 26 8.103 8.103 7.857 0.246 19399 943 1 13 . 1 1 27 27 LYS N N 27 119.302 119.302 118.888 0.414 19399 944 1 13 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.227 0.331 19399 945 1 13 . 1 1 27 27 LYS CA C 27 59.265 59.265 58.119 1.146 19399 946 1 13 . 1 1 27 27 LYS CB C 27 33.713 33.713 31.766 1.947 19399 947 1 13 . 1 1 27 27 LYS H H 27 8.509 8.509 7.360 1.149 19399 948 1 13 . 1 1 28 28 ALA N N 28 123.716 123.716 124.054 -0.338 19399 949 1 13 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.265 -0.129 19399 950 1 13 . 1 1 28 28 ALA CA C 28 55.340 55.340 54.453 0.887 19399 951 1 13 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.212 -0.424 19399 952 1 13 . 1 1 28 28 ALA H H 28 7.961 7.961 6.883 1.078 19399 953 1 13 . 1 1 29 29 LYS N N 29 120.704 120.704 119.211 1.493 19399 954 1 13 . 1 1 29 29 LYS HA H 29 4.178 4.178 3.986 0.192 19399 955 1 13 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.474 0.145 19399 956 1 13 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.046 1.247 19399 957 1 13 . 1 1 29 29 LYS H H 29 7.884 7.884 7.946 -0.062 19399 958 1 13 . 1 1 30 30 ILE N N 30 121.823 121.823 119.569 2.254 19399 959 1 13 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.997 -0.517 19399 960 1 13 . 1 1 30 30 ILE CA C 30 66.081 66.081 63.736 2.345 19399 961 1 13 . 1 1 30 30 ILE CB C 30 36.871 36.871 38.487 -1.616 19399 962 1 13 . 1 1 30 30 ILE H H 30 8.245 8.245 7.798 0.447 19399 963 1 13 . 1 1 31 31 GLN N N 31 123.747 123.747 119.764 3.983 19399 964 1 13 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.878 -0.085 19399 965 1 13 . 1 1 31 31 GLN CA C 31 59.982 59.982 59.626 0.356 19399 966 1 13 . 1 1 31 31 GLN CB C 31 27.649 27.649 29.133 -1.484 19399 967 1 13 . 1 1 31 31 GLN H H 31 8.502 8.502 8.265 0.237 19399 968 1 13 . 1 1 32 32 ASP N N 32 120.236 120.236 117.595 2.641 19399 969 1 13 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.601 -0.289 19399 970 1 13 . 1 1 32 32 ASP CA C 32 57.220 57.220 57.486 -0.266 19399 971 1 13 . 1 1 32 32 ASP CB C 32 40.536 40.536 40.275 0.261 19399 972 1 13 . 1 1 32 32 ASP H H 32 8.071 8.071 7.854 0.217 19399 973 1 13 . 1 1 33 33 LYS N N 33 115.876 115.876 119.394 -3.518 19399 974 1 13 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.083 0.213 19399 975 1 13 . 1 1 33 33 LYS CA C 33 58.018 58.018 59.262 -1.244 19399 976 1 13 . 1 1 33 33 LYS CB C 33 34.135 34.135 31.934 2.201 19399 977 1 13 . 1 1 33 33 LYS H H 33 7.445 7.445 7.374 0.071 19399 978 1 13 . 1 1 34 34 GLU N N 34 114.203 114.203 121.346 -7.143 19399 979 1 13 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.669 0.934 19399 980 1 13 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.330 -3.221 19399 981 1 13 . 1 1 34 34 GLU CB C 34 32.709 32.709 28.712 3.997 19399 982 1 13 . 1 1 34 34 GLU H H 34 8.665 8.665 7.411 1.254 19399 983 1 13 . 1 1 35 35 GLY N N 35 109.243 109.243 106.146 3.097 19399 984 1 13 . 1 1 35 35 GLY CA C 35 45.970 45.970 45.449 0.521 19399 985 1 13 . 1 1 35 35 GLY H H 35 8.478 8.478 7.585 0.893 19399 986 1 13 . 1 1 36 36 ILE N N 36 120.726 120.726 120.038 0.688 19399 987 1 13 . 1 1 36 36 ILE HA H 36 4.348 4.348 3.888 0.460 19399 988 1 13 . 1 1 36 36 ILE CA C 36 57.631 57.631 63.117 -5.486 19399 989 1 13 . 1 1 36 36 ILE CB C 36 40.385 40.385 38.257 2.128 19399 990 1 13 . 1 1 36 36 ILE H H 36 6.114 6.114 7.556 -1.442 19399 991 1 13 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.116 0.490 19399 992 1 13 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.518 -1.960 19399 993 1 13 . 1 1 37 37 PRO CB C 37 31.759 31.759 31.892 -0.133 19399 994 1 13 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.076 0.021 19399 995 1 13 . 1 1 38 38 PRO CA C 38 66.022 66.022 64.787 1.235 19399 996 1 13 . 1 1 38 38 PRO CB C 38 32.892 32.892 31.197 1.695 19399 997 1 13 . 1 1 39 39 ASP N N 39 113.783 113.783 116.294 -2.511 19399 998 1 13 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.853 -0.459 19399 999 1 13 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.772 0.837 19399 1000 1 13 . 1 1 39 39 ASP CB C 39 39.411 39.411 43.426 -4.015 19399 1001 1 13 . 1 1 39 39 ASP H H 39 8.512 8.512 8.120 0.392 19399 1002 1 14 . 1 1 23 23 ILE N N 23 121.672 121.672 121.941 -0.269 19399 1003 1 14 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.395 -0.775 19399 1004 1 14 . 1 1 23 23 ILE CA C 23 62.149 62.149 61.592 0.557 19399 1005 1 14 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.519 -4.130 19399 1006 1 14 . 1 1 23 23 ILE H H 23 8.504 8.504 8.084 0.420 19399 1007 1 14 . 1 1 24 24 GLU HA H 24 3.879 3.879 3.983 -0.104 19399 1008 1 14 . 1 1 24 24 GLU CA C 24 60.225 60.225 59.040 1.185 19399 1009 1 14 . 1 1 24 24 GLU CB C 24 28.328 28.328 30.298 -1.970 19399 1010 1 14 . 1 1 25 25 ASN N N 25 121.465 121.465 118.293 3.172 19399 1011 1 14 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.543 -0.038 19399 1012 1 14 . 1 1 25 25 ASN CA C 25 56.035 56.035 56.466 -0.431 19399 1013 1 14 . 1 1 25 25 ASN CB C 25 38.329 38.329 37.768 0.561 19399 1014 1 14 . 1 1 25 25 ASN H H 25 7.903 7.903 8.554 -0.651 19399 1015 1 14 . 1 1 26 26 VAL N N 26 122.565 122.565 118.842 3.723 19399 1016 1 14 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.973 -0.606 19399 1017 1 14 . 1 1 26 26 VAL CA C 26 67.668 67.668 64.950 2.718 19399 1018 1 14 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.905 -1.028 19399 1019 1 14 . 1 1 26 26 VAL H H 26 8.103 8.103 8.338 -0.235 19399 1020 1 14 . 1 1 27 27 LYS N N 27 119.302 119.302 118.997 0.305 19399 1021 1 14 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.142 0.416 19399 1022 1 14 . 1 1 27 27 LYS CA C 27 59.265 59.265 58.763 0.502 19399 1023 1 14 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.319 1.395 19399 1024 1 14 . 1 1 27 27 LYS H H 27 8.509 8.509 7.749 0.760 19399 1025 1 14 . 1 1 28 28 ALA N N 28 123.716 123.716 122.380 1.336 19399 1026 1 14 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.186 -0.050 19399 1027 1 14 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.410 -0.070 19399 1028 1 14 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.785 -0.997 19399 1029 1 14 . 1 1 28 28 ALA H H 28 7.961 7.961 7.863 0.098 19399 1030 1 14 . 1 1 29 29 LYS N N 29 120.704 120.704 118.901 1.803 19399 1031 1 14 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.007 0.171 19399 1032 1 14 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.791 -0.172 19399 1033 1 14 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.155 1.138 19399 1034 1 14 . 1 1 29 29 LYS H H 29 7.884 7.884 7.705 0.179 19399 1035 1 14 . 1 1 30 30 ILE N N 30 121.823 121.823 119.919 1.904 19399 1036 1 14 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.992 -0.512 19399 1037 1 14 . 1 1 30 30 ILE CA C 30 66.081 66.081 62.954 3.127 19399 1038 1 14 . 1 1 30 30 ILE CB C 30 36.871 36.871 38.032 -1.161 19399 1039 1 14 . 1 1 30 30 ILE H H 30 8.245 8.245 7.554 0.691 19399 1040 1 14 . 1 1 31 31 GLN N N 31 123.747 123.747 120.498 3.249 19399 1041 1 14 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.821 -0.028 19399 1042 1 14 . 1 1 31 31 GLN CA C 31 59.982 59.982 59.047 0.935 19399 1043 1 14 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.704 -1.056 19399 1044 1 14 . 1 1 31 31 GLN H H 31 8.502 8.502 8.078 0.424 19399 1045 1 14 . 1 1 32 32 ASP N N 32 120.236 120.236 120.044 0.192 19399 1046 1 14 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.225 0.087 19399 1047 1 14 . 1 1 32 32 ASP CA C 32 57.220 57.220 58.027 -0.807 19399 1048 1 14 . 1 1 32 32 ASP CB C 32 40.536 40.536 40.772 -0.236 19399 1049 1 14 . 1 1 32 32 ASP H H 32 8.071 8.071 7.806 0.265 19399 1050 1 14 . 1 1 33 33 LYS N N 33 115.876 115.876 118.355 -2.479 19399 1051 1 14 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.041 0.255 19399 1052 1 14 . 1 1 33 33 LYS CA C 33 58.018 58.018 59.603 -1.585 19399 1053 1 14 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.259 1.876 19399 1054 1 14 . 1 1 33 33 LYS H H 33 7.445 7.445 7.489 -0.044 19399 1055 1 14 . 1 1 34 34 GLU N N 34 114.203 114.203 122.772 -8.569 19399 1056 1 14 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.605 0.998 19399 1057 1 14 . 1 1 34 34 GLU CA C 34 55.109 55.109 59.219 -4.110 19399 1058 1 14 . 1 1 34 34 GLU CB C 34 32.709 32.709 28.586 4.123 19399 1059 1 14 . 1 1 34 34 GLU H H 34 8.665 8.665 7.769 0.896 19399 1060 1 14 . 1 1 35 35 GLY N N 35 109.243 109.243 105.912 3.331 19399 1061 1 14 . 1 1 35 35 GLY CA C 35 45.970 45.970 46.914 -0.944 19399 1062 1 14 . 1 1 35 35 GLY H H 35 8.478 8.478 7.705 0.773 19399 1063 1 14 . 1 1 36 36 ILE N N 36 120.726 120.726 120.228 0.498 19399 1064 1 14 . 1 1 36 36 ILE HA H 36 4.348 4.348 3.943 0.405 19399 1065 1 14 . 1 1 36 36 ILE CA C 36 57.631 57.631 63.148 -5.517 19399 1066 1 14 . 1 1 36 36 ILE CB C 36 40.385 40.385 38.362 2.023 19399 1067 1 14 . 1 1 36 36 ILE H H 36 6.114 6.114 7.493 -1.379 19399 1068 1 14 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.560 0.046 19399 1069 1 14 . 1 1 37 37 PRO CA C 37 61.558 61.558 61.659 -0.101 19399 1070 1 14 . 1 1 37 37 PRO CB C 37 31.759 31.759 34.247 -2.488 19399 1071 1 14 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.556 -0.459 19399 1072 1 14 . 1 1 38 38 PRO CA C 38 66.022 66.022 63.449 2.573 19399 1073 1 14 . 1 1 38 38 PRO CB C 38 32.892 32.892 31.895 0.997 19399 1074 1 14 . 1 1 39 39 ASP N N 39 113.783 113.783 119.162 -5.379 19399 1075 1 14 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.732 -0.338 19399 1076 1 14 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.525 1.084 19399 1077 1 14 . 1 1 39 39 ASP CB C 39 39.411 39.411 42.007 -2.596 19399 1078 1 14 . 1 1 39 39 ASP H H 39 8.512 8.512 7.893 0.619 19399 1079 1 15 . 1 1 23 23 ILE N N 23 121.672 121.672 120.883 0.789 19399 1080 1 15 . 1 1 23 23 ILE HA H 23 3.620 3.620 3.896 -0.276 19399 1081 1 15 . 1 1 23 23 ILE CA C 23 62.149 62.149 64.574 -2.425 19399 1082 1 15 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.006 -3.617 19399 1083 1 15 . 1 1 23 23 ILE H H 23 8.504 8.504 8.306 0.198 19399 1084 1 15 . 1 1 24 24 GLU HA H 24 3.879 3.879 3.955 -0.076 19399 1085 1 15 . 1 1 24 24 GLU CA C 24 60.225 60.225 59.581 0.644 19399 1086 1 15 . 1 1 24 24 GLU CB C 24 28.328 28.328 28.833 -0.505 19399 1087 1 15 . 1 1 25 25 ASN N N 25 121.465 121.465 117.646 3.819 19399 1088 1 15 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.707 -0.202 19399 1089 1 15 . 1 1 25 25 ASN CA C 25 56.035 56.035 55.821 0.214 19399 1090 1 15 . 1 1 25 25 ASN CB C 25 38.329 38.329 38.511 -0.182 19399 1091 1 15 . 1 1 25 25 ASN H H 25 7.903 7.903 8.302 -0.399 19399 1092 1 15 . 1 1 26 26 VAL N N 26 122.565 122.565 120.460 2.105 19399 1093 1 15 . 1 1 26 26 VAL HA H 26 3.367 3.367 4.056 -0.689 19399 1094 1 15 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.534 2.134 19399 1095 1 15 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.568 -0.691 19399 1096 1 15 . 1 1 26 26 VAL H H 26 8.103 8.103 8.506 -0.403 19399 1097 1 15 . 1 1 27 27 LYS N N 27 119.302 119.302 121.532 -2.230 19399 1098 1 15 . 1 1 27 27 LYS HA H 27 4.558 4.558 3.689 0.869 19399 1099 1 15 . 1 1 27 27 LYS CA C 27 59.265 59.265 59.144 0.121 19399 1100 1 15 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.217 1.496 19399 1101 1 15 . 1 1 27 27 LYS H H 27 8.509 8.509 7.763 0.746 19399 1102 1 15 . 1 1 28 28 ALA N N 28 123.716 123.716 120.805 2.911 19399 1103 1 15 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.226 -0.090 19399 1104 1 15 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.588 -0.248 19399 1105 1 15 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.354 -0.566 19399 1106 1 15 . 1 1 28 28 ALA H H 28 7.961 7.961 7.873 0.088 19399 1107 1 15 . 1 1 29 29 LYS N N 29 120.704 120.704 119.073 1.631 19399 1108 1 15 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.103 0.075 19399 1109 1 15 . 1 1 29 29 LYS CA C 29 59.619 59.619 58.301 1.318 19399 1110 1 15 . 1 1 29 29 LYS CB C 29 33.293 33.293 31.620 1.673 19399 1111 1 15 . 1 1 29 29 LYS H H 29 7.884 7.884 8.443 -0.559 19399 1112 1 15 . 1 1 30 30 ILE N N 30 121.823 121.823 117.561 4.262 19399 1113 1 15 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.955 -0.475 19399 1114 1 15 . 1 1 30 30 ILE CA C 30 66.081 66.081 60.950 5.131 19399 1115 1 15 . 1 1 30 30 ILE CB C 30 36.871 36.871 37.522 -0.651 19399 1116 1 15 . 1 1 30 30 ILE H H 30 8.245 8.245 8.595 -0.350 19399 1117 1 15 . 1 1 31 31 GLN N N 31 123.747 123.747 119.160 4.587 19399 1118 1 15 . 1 1 31 31 GLN HA H 31 3.793 3.793 4.576 -0.783 19399 1119 1 15 . 1 1 31 31 GLN CA C 31 59.982 59.982 57.429 2.553 19399 1120 1 15 . 1 1 31 31 GLN CB C 31 27.649 27.649 30.663 -3.014 19399 1121 1 15 . 1 1 31 31 GLN H H 31 8.502 8.502 7.792 0.710 19399 1122 1 15 . 1 1 32 32 ASP N N 32 120.236 120.236 119.327 0.909 19399 1123 1 15 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.327 -0.015 19399 1124 1 15 . 1 1 32 32 ASP CA C 32 57.220 57.220 56.936 0.284 19399 1125 1 15 . 1 1 32 32 ASP CB C 32 40.536 40.536 39.824 0.712 19399 1126 1 15 . 1 1 32 32 ASP H H 32 8.071 8.071 7.886 0.185 19399 1127 1 15 . 1 1 33 33 LYS N N 33 115.876 115.876 119.350 -3.474 19399 1128 1 15 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.081 0.215 19399 1129 1 15 . 1 1 33 33 LYS CA C 33 58.018 58.018 58.929 -0.911 19399 1130 1 15 . 1 1 33 33 LYS CB C 33 34.135 34.135 31.835 2.300 19399 1131 1 15 . 1 1 33 33 LYS H H 33 7.445 7.445 8.372 -0.927 19399 1132 1 15 . 1 1 34 34 GLU N N 34 114.203 114.203 120.451 -6.248 19399 1133 1 15 . 1 1 34 34 GLU HA H 34 4.603 4.603 4.059 0.544 19399 1134 1 15 . 1 1 34 34 GLU CA C 34 55.109 55.109 59.013 -3.904 19399 1135 1 15 . 1 1 34 34 GLU CB C 34 32.709 32.709 29.270 3.438 19399 1136 1 15 . 1 1 34 34 GLU H H 34 8.665 8.665 8.705 -0.040 19399 1137 1 15 . 1 1 35 35 GLY N N 35 109.243 109.243 105.640 3.603 19399 1138 1 15 . 1 1 35 35 GLY CA C 35 45.970 45.970 45.857 0.113 19399 1139 1 15 . 1 1 35 35 GLY H H 35 8.478 8.478 7.651 0.827 19399 1140 1 15 . 1 1 36 36 ILE N N 36 120.726 120.726 120.590 0.136 19399 1141 1 15 . 1 1 36 36 ILE HA H 36 4.348 4.348 3.978 0.370 19399 1142 1 15 . 1 1 36 36 ILE CA C 36 57.631 57.631 63.372 -5.741 19399 1143 1 15 . 1 1 36 36 ILE CB C 36 40.385 40.385 38.227 2.158 19399 1144 1 15 . 1 1 36 36 ILE H H 36 6.114 6.114 7.843 -1.729 19399 1145 1 15 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.593 0.013 19399 1146 1 15 . 1 1 37 37 PRO CA C 37 61.558 61.558 62.357 -0.799 19399 1147 1 15 . 1 1 37 37 PRO CB C 37 31.759 31.759 34.199 -2.440 19399 1148 1 15 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.408 -0.311 19399 1149 1 15 . 1 1 38 38 PRO CA C 38 66.022 66.022 64.867 1.155 19399 1150 1 15 . 1 1 38 38 PRO CB C 38 32.892 32.892 32.655 0.237 19399 1151 1 15 . 1 1 39 39 ASP N N 39 113.783 113.783 117.056 -3.273 19399 1152 1 15 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.946 -0.552 19399 1153 1 15 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.135 1.474 19399 1154 1 15 . 1 1 39 39 ASP CB C 39 39.411 39.411 41.384 -1.973 19399 1155 1 15 . 1 1 39 39 ASP H H 39 8.512 8.512 7.843 0.669 19399 1156 1 16 . 1 1 23 23 ILE N N 23 121.672 121.672 121.445 0.227 19399 1157 1 16 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.280 -0.660 19399 1158 1 16 . 1 1 23 23 ILE CA C 23 62.149 62.149 61.303 0.846 19399 1159 1 16 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.275 -3.886 19399 1160 1 16 . 1 1 23 23 ILE H H 23 8.504 8.504 8.069 0.435 19399 1161 1 16 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.336 -0.457 19399 1162 1 16 . 1 1 24 24 GLU CA C 24 60.225 60.225 58.115 2.110 19399 1163 1 16 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.876 -1.548 19399 1164 1 16 . 1 1 25 25 ASN N N 25 121.465 121.465 118.480 2.985 19399 1165 1 16 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.555 -0.050 19399 1166 1 16 . 1 1 25 25 ASN CA C 25 56.035 56.035 55.970 0.065 19399 1167 1 16 . 1 1 25 25 ASN CB C 25 38.329 38.329 38.089 0.240 19399 1168 1 16 . 1 1 25 25 ASN H H 25 7.903 7.903 8.492 -0.589 19399 1169 1 16 . 1 1 26 26 VAL N N 26 122.565 122.565 119.973 2.592 19399 1170 1 16 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.928 -0.561 19399 1171 1 16 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.010 2.658 19399 1172 1 16 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.695 -0.818 19399 1173 1 16 . 1 1 26 26 VAL H H 26 8.103 8.103 8.293 -0.190 19399 1174 1 16 . 1 1 27 27 LYS N N 27 119.302 119.302 119.999 -0.697 19399 1175 1 16 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.090 0.468 19399 1176 1 16 . 1 1 27 27 LYS CA C 27 59.265 59.265 58.613 0.652 19399 1177 1 16 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.584 1.129 19399 1178 1 16 . 1 1 27 27 LYS H H 27 8.509 8.509 7.785 0.724 19399 1179 1 16 . 1 1 28 28 ALA N N 28 123.716 123.716 121.039 2.677 19399 1180 1 16 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.208 -0.072 19399 1181 1 16 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.370 -0.030 19399 1182 1 16 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.731 -0.943 19399 1183 1 16 . 1 1 28 28 ALA H H 28 7.961 7.961 8.085 -0.124 19399 1184 1 16 . 1 1 29 29 LYS N N 29 120.704 120.704 119.811 0.893 19399 1185 1 16 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.080 0.098 19399 1186 1 16 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.413 0.206 19399 1187 1 16 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.017 1.276 19399 1188 1 16 . 1 1 29 29 LYS H H 29 7.884 7.884 7.757 0.127 19399 1189 1 16 . 1 1 30 30 ILE N N 30 121.823 121.823 119.918 1.905 19399 1190 1 16 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.852 -0.372 19399 1191 1 16 . 1 1 30 30 ILE CA C 30 66.081 66.081 62.834 3.248 19399 1192 1 16 . 1 1 30 30 ILE CB C 30 36.871 36.871 37.930 -1.059 19399 1193 1 16 . 1 1 30 30 ILE H H 30 8.245 8.245 7.639 0.606 19399 1194 1 16 . 1 1 31 31 GLN N N 31 123.747 123.747 118.712 5.035 19399 1195 1 16 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.900 -0.107 19399 1196 1 16 . 1 1 31 31 GLN CA C 31 59.982 59.982 55.351 4.631 19399 1197 1 16 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.438 -0.788 19399 1198 1 16 . 1 1 31 31 GLN H H 31 8.502 8.502 7.813 0.689 19399 1199 1 16 . 1 1 32 32 ASP N N 32 120.236 120.236 118.830 1.406 19399 1200 1 16 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.499 -0.187 19399 1201 1 16 . 1 1 32 32 ASP CA C 32 57.220 57.220 56.054 1.166 19399 1202 1 16 . 1 1 32 32 ASP CB C 32 40.536 40.536 39.893 0.643 19399 1203 1 16 . 1 1 32 32 ASP H H 32 8.071 8.071 7.771 0.300 19399 1204 1 16 . 1 1 33 33 LYS N N 33 115.876 115.876 118.803 -2.927 19399 1205 1 16 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.114 0.182 19399 1206 1 16 . 1 1 33 33 LYS CA C 33 58.018 58.018 58.504 -0.486 19399 1207 1 16 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.639 1.496 19399 1208 1 16 . 1 1 33 33 LYS H H 33 7.445 7.445 7.797 -0.352 19399 1209 1 16 . 1 1 34 34 GLU N N 34 114.203 114.203 121.798 -7.595 19399 1210 1 16 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.959 0.644 19399 1211 1 16 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.738 -3.629 19399 1212 1 16 . 1 1 34 34 GLU CB C 34 32.709 32.709 29.136 3.573 19399 1213 1 16 . 1 1 34 34 GLU H H 34 8.665 8.665 8.077 0.588 19399 1214 1 16 . 1 1 35 35 GLY N N 35 109.243 109.243 105.829 3.414 19399 1215 1 16 . 1 1 35 35 GLY CA C 35 45.970 45.970 44.789 1.181 19399 1216 1 16 . 1 1 35 35 GLY H H 35 8.478 8.478 7.981 0.497 19399 1217 1 16 . 1 1 36 36 ILE N N 36 120.726 120.726 121.123 -0.397 19399 1218 1 16 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.071 0.277 19399 1219 1 16 . 1 1 36 36 ILE CA C 36 57.631 57.631 62.126 -4.495 19399 1220 1 16 . 1 1 36 36 ILE CB C 36 40.385 40.385 39.040 1.345 19399 1221 1 16 . 1 1 36 36 ILE H H 36 6.114 6.114 7.759 -1.645 19399 1222 1 16 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.142 0.464 19399 1223 1 16 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.065 -1.507 19399 1224 1 16 . 1 1 37 37 PRO CB C 37 31.759 31.759 31.212 0.547 19399 1225 1 16 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.234 -0.137 19399 1226 1 16 . 1 1 38 38 PRO CA C 38 66.022 66.022 64.281 1.741 19399 1227 1 16 . 1 1 38 38 PRO CB C 38 32.892 32.892 31.745 1.147 19399 1228 1 16 . 1 1 39 39 ASP N N 39 113.783 113.783 118.894 -5.111 19399 1229 1 16 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.502 -0.108 19399 1230 1 16 . 1 1 39 39 ASP CA C 39 55.609 55.609 53.765 1.844 19399 1231 1 16 . 1 1 39 39 ASP CB C 39 39.411 39.411 40.644 -1.233 19399 1232 1 16 . 1 1 39 39 ASP H H 39 8.512 8.512 7.885 0.627 19399 1233 1 17 . 1 1 23 23 ILE N N 23 121.672 121.672 118.421 3.251 19399 1234 1 17 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.204 -0.584 19399 1235 1 17 . 1 1 23 23 ILE CA C 23 62.149 62.149 62.538 -0.389 19399 1236 1 17 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.433 -4.044 19399 1237 1 17 . 1 1 23 23 ILE H H 23 8.504 8.504 7.785 0.719 19399 1238 1 17 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.218 -0.339 19399 1239 1 17 . 1 1 24 24 GLU CA C 24 60.225 60.225 60.236 -0.011 19399 1240 1 17 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.289 -0.961 19399 1241 1 17 . 1 1 25 25 ASN N N 25 121.465 121.465 117.108 4.357 19399 1242 1 17 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.562 -0.057 19399 1243 1 17 . 1 1 25 25 ASN CA C 25 56.035 56.035 56.217 -0.181 19399 1244 1 17 . 1 1 25 25 ASN CB C 25 38.329 38.329 37.900 0.429 19399 1245 1 17 . 1 1 25 25 ASN H H 25 7.903 7.903 8.640 -0.737 19399 1246 1 17 . 1 1 26 26 VAL N N 26 122.565 122.565 117.482 5.083 19399 1247 1 17 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.979 -0.612 19399 1248 1 17 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.209 2.459 19399 1249 1 17 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.588 -0.711 19399 1250 1 17 . 1 1 26 26 VAL H H 26 8.103 8.103 8.491 -0.388 19399 1251 1 17 . 1 1 27 27 LYS N N 27 119.302 119.302 120.638 -1.336 19399 1252 1 17 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.177 0.381 19399 1253 1 17 . 1 1 27 27 LYS CA C 27 59.265 59.265 58.401 0.864 19399 1254 1 17 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.819 0.894 19399 1255 1 17 . 1 1 27 27 LYS H H 27 8.509 8.509 7.652 0.857 19399 1256 1 17 . 1 1 28 28 ALA N N 28 123.716 123.716 121.888 1.828 19399 1257 1 17 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.019 0.117 19399 1258 1 17 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.236 0.103 19399 1259 1 17 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.705 -0.917 19399 1260 1 17 . 1 1 28 28 ALA H H 28 7.961 7.961 7.368 0.593 19399 1261 1 17 . 1 1 29 29 LYS N N 29 120.704 120.704 119.356 1.348 19399 1262 1 17 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.049 0.129 19399 1263 1 17 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.120 0.499 19399 1264 1 17 . 1 1 29 29 LYS CB C 29 33.293 33.293 31.904 1.389 19399 1265 1 17 . 1 1 29 29 LYS H H 29 7.884 7.884 7.668 0.216 19399 1266 1 17 . 1 1 30 30 ILE N N 30 121.823 121.823 120.270 1.553 19399 1267 1 17 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.912 -0.432 19399 1268 1 17 . 1 1 30 30 ILE CA C 30 66.081 66.081 63.301 2.780 19399 1269 1 17 . 1 1 30 30 ILE CB C 30 36.871 36.871 38.155 -1.284 19399 1270 1 17 . 1 1 30 30 ILE H H 30 8.245 8.245 7.631 0.614 19399 1271 1 17 . 1 1 31 31 GLN N N 31 123.747 123.747 117.058 6.689 19399 1272 1 17 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.786 0.007 19399 1273 1 17 . 1 1 31 31 GLN CA C 31 59.982 59.982 54.553 5.429 19399 1274 1 17 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.208 -0.559 19399 1275 1 17 . 1 1 31 31 GLN H H 31 8.502 8.502 7.609 0.893 19399 1276 1 17 . 1 1 32 32 ASP N N 32 120.236 120.236 120.821 -0.585 19399 1277 1 17 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.793 -0.481 19399 1278 1 17 . 1 1 32 32 ASP CA C 32 57.220 57.220 56.797 0.423 19399 1279 1 17 . 1 1 32 32 ASP CB C 32 40.536 40.536 41.870 -1.334 19399 1280 1 17 . 1 1 32 32 ASP H H 32 8.071 8.071 7.803 0.268 19399 1281 1 17 . 1 1 33 33 LYS N N 33 115.876 115.876 118.740 -2.864 19399 1282 1 17 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.169 0.127 19399 1283 1 17 . 1 1 33 33 LYS CA C 33 58.018 58.018 58.617 -0.599 19399 1284 1 17 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.290 1.845 19399 1285 1 17 . 1 1 33 33 LYS H H 33 7.445 7.445 7.901 -0.456 19399 1286 1 17 . 1 1 34 34 GLU N N 34 114.203 114.203 122.363 -8.160 19399 1287 1 17 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.850 0.753 19399 1288 1 17 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.962 -3.853 19399 1289 1 17 . 1 1 34 34 GLU CB C 34 32.709 32.709 29.329 3.380 19399 1290 1 17 . 1 1 34 34 GLU H H 34 8.665 8.665 8.065 0.600 19399 1291 1 17 . 1 1 35 35 GLY N N 35 109.243 109.243 106.037 3.206 19399 1292 1 17 . 1 1 35 35 GLY CA C 35 45.970 45.970 46.930 -0.960 19399 1293 1 17 . 1 1 35 35 GLY H H 35 8.478 8.478 7.881 0.597 19399 1294 1 17 . 1 1 36 36 ILE N N 36 120.726 120.726 118.753 1.973 19399 1295 1 17 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.273 0.075 19399 1296 1 17 . 1 1 36 36 ILE CA C 36 57.631 57.631 61.432 -3.801 19399 1297 1 17 . 1 1 36 36 ILE CB C 36 40.385 40.385 36.721 3.664 19399 1298 1 17 . 1 1 36 36 ILE H H 36 6.114 6.114 7.488 -1.374 19399 1299 1 17 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.489 0.117 19399 1300 1 17 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.254 -1.696 19399 1301 1 17 . 1 1 37 37 PRO CB C 37 31.759 31.759 32.383 -0.623 19399 1302 1 17 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.646 -0.549 19399 1303 1 17 . 1 1 38 38 PRO CA C 38 66.022 66.022 63.971 2.051 19399 1304 1 17 . 1 1 38 38 PRO CB C 38 32.892 32.892 32.716 0.176 19399 1305 1 17 . 1 1 39 39 ASP N N 39 113.783 113.783 119.904 -6.121 19399 1306 1 17 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.881 -0.487 19399 1307 1 17 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.427 1.182 19399 1308 1 17 . 1 1 39 39 ASP CB C 39 39.411 39.411 41.042 -1.631 19399 1309 1 17 . 1 1 39 39 ASP H H 39 8.512 8.512 7.997 0.515 19399 1310 1 18 . 1 1 23 23 ILE N N 23 121.672 121.672 121.616 0.056 19399 1311 1 18 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.355 -0.735 19399 1312 1 18 . 1 1 23 23 ILE CA C 23 62.149 62.149 60.895 1.254 19399 1313 1 18 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.265 -3.876 19399 1314 1 18 . 1 1 23 23 ILE H H 23 8.504 8.504 8.188 0.316 19399 1315 1 18 . 1 1 24 24 GLU HA H 24 3.879 3.879 3.927 -0.048 19399 1316 1 18 . 1 1 24 24 GLU CA C 24 60.225 60.225 59.344 0.881 19399 1317 1 18 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.758 -1.430 19399 1318 1 18 . 1 1 25 25 ASN N N 25 121.465 121.465 116.389 5.076 19399 1319 1 18 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.522 -0.017 19399 1320 1 18 . 1 1 25 25 ASN CA C 25 56.035 56.035 55.934 0.101 19399 1321 1 18 . 1 1 25 25 ASN CB C 25 38.329 38.329 38.003 0.326 19399 1322 1 18 . 1 1 25 25 ASN H H 25 7.903 7.903 7.940 -0.037 19399 1323 1 18 . 1 1 26 26 VAL N N 26 122.565 122.565 119.623 2.942 19399 1324 1 18 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.977 -0.610 19399 1325 1 18 . 1 1 26 26 VAL CA C 26 67.668 67.668 64.692 2.976 19399 1326 1 18 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.865 -0.988 19399 1327 1 18 . 1 1 26 26 VAL H H 26 8.103 8.103 8.436 -0.333 19399 1328 1 18 . 1 1 27 27 LYS N N 27 119.302 119.302 118.512 0.790 19399 1329 1 18 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.167 0.391 19399 1330 1 18 . 1 1 27 27 LYS CA C 27 59.265 59.265 58.563 0.702 19399 1331 1 18 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.411 1.302 19399 1332 1 18 . 1 1 27 27 LYS H H 27 8.509 8.509 7.664 0.845 19399 1333 1 18 . 1 1 28 28 ALA N N 28 123.716 123.716 120.442 3.274 19399 1334 1 18 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.292 -0.156 19399 1335 1 18 . 1 1 28 28 ALA CA C 28 55.340 55.340 54.886 0.454 19399 1336 1 18 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.783 -0.995 19399 1337 1 18 . 1 1 28 28 ALA H H 28 7.961 7.961 7.639 0.322 19399 1338 1 18 . 1 1 29 29 LYS N N 29 120.704 120.704 120.097 0.607 19399 1339 1 18 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.076 0.102 19399 1340 1 18 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.557 0.062 19399 1341 1 18 . 1 1 29 29 LYS CB C 29 33.293 33.293 31.828 1.465 19399 1342 1 18 . 1 1 29 29 LYS H H 29 7.884 7.884 7.742 0.142 19399 1343 1 18 . 1 1 30 30 ILE N N 30 121.823 121.823 119.581 2.242 19399 1344 1 18 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.926 -0.446 19399 1345 1 18 . 1 1 30 30 ILE CA C 30 66.081 66.081 63.140 2.941 19399 1346 1 18 . 1 1 30 30 ILE CB C 30 36.871 36.871 37.572 -0.701 19399 1347 1 18 . 1 1 30 30 ILE H H 30 8.245 8.245 7.545 0.700 19399 1348 1 18 . 1 1 31 31 GLN N N 31 123.747 123.747 116.221 7.526 19399 1349 1 18 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.636 0.157 19399 1350 1 18 . 1 1 31 31 GLN CA C 31 59.982 59.982 56.855 3.127 19399 1351 1 18 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.660 -1.011 19399 1352 1 18 . 1 1 31 31 GLN H H 31 8.502 8.502 7.985 0.517 19399 1353 1 18 . 1 1 32 32 ASP N N 32 120.236 120.236 118.768 1.468 19399 1354 1 18 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.636 -0.324 19399 1355 1 18 . 1 1 32 32 ASP CA C 32 57.220 57.220 55.746 1.474 19399 1356 1 18 . 1 1 32 32 ASP CB C 32 40.536 40.536 41.932 -1.396 19399 1357 1 18 . 1 1 32 32 ASP H H 32 8.071 8.071 7.731 0.340 19399 1358 1 18 . 1 1 33 33 LYS N N 33 115.876 115.876 119.142 -3.266 19399 1359 1 18 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.308 -0.012 19399 1360 1 18 . 1 1 33 33 LYS CA C 33 58.018 58.018 58.910 -0.891 19399 1361 1 18 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.969 1.166 19399 1362 1 18 . 1 1 33 33 LYS H H 33 7.445 7.445 8.254 -0.809 19399 1363 1 18 . 1 1 34 34 GLU N N 34 114.203 114.203 121.613 -7.410 19399 1364 1 18 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.889 0.714 19399 1365 1 18 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.894 -3.784 19399 1366 1 18 . 1 1 34 34 GLU CB C 34 32.709 32.709 28.747 3.962 19399 1367 1 18 . 1 1 34 34 GLU H H 34 8.665 8.665 8.611 0.054 19399 1368 1 18 . 1 1 35 35 GLY N N 35 109.243 109.243 104.870 4.373 19399 1369 1 18 . 1 1 35 35 GLY CA C 35 45.970 45.970 45.950 0.020 19399 1370 1 18 . 1 1 35 35 GLY H H 35 8.478 8.478 7.359 1.119 19399 1371 1 18 . 1 1 36 36 ILE N N 36 120.726 120.726 120.116 0.610 19399 1372 1 18 . 1 1 36 36 ILE HA H 36 4.348 4.348 3.835 0.513 19399 1373 1 18 . 1 1 36 36 ILE CA C 36 57.631 57.631 63.211 -5.580 19399 1374 1 18 . 1 1 36 36 ILE CB C 36 40.385 40.385 37.797 2.588 19399 1375 1 18 . 1 1 36 36 ILE H H 36 6.114 6.114 7.496 -1.382 19399 1376 1 18 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.175 0.431 19399 1377 1 18 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.880 -2.322 19399 1378 1 18 . 1 1 37 37 PRO CB C 37 31.759 31.759 31.337 0.422 19399 1379 1 18 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.516 -0.419 19399 1380 1 18 . 1 1 38 38 PRO CA C 38 66.022 66.022 63.611 2.411 19399 1381 1 18 . 1 1 38 38 PRO CB C 38 32.892 32.892 33.457 -0.565 19399 1382 1 18 . 1 1 39 39 ASP N N 39 113.783 113.783 121.687 -7.904 19399 1383 1 18 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.871 -0.477 19399 1384 1 18 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.320 1.289 19399 1385 1 18 . 1 1 39 39 ASP CB C 39 39.411 39.411 41.158 -1.747 19399 1386 1 18 . 1 1 39 39 ASP H H 39 8.512 8.512 8.443 0.069 19399 1387 1 19 . 1 1 23 23 ILE N N 23 121.672 121.672 120.783 0.889 19399 1388 1 19 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.127 -0.507 19399 1389 1 19 . 1 1 23 23 ILE CA C 23 62.149 62.149 63.402 -1.253 19399 1390 1 19 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.288 -3.899 19399 1391 1 19 . 1 1 23 23 ILE H H 23 8.504 8.504 8.013 0.491 19399 1392 1 19 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.084 -0.205 19399 1393 1 19 . 1 1 24 24 GLU CA C 24 60.225 60.225 59.977 0.248 19399 1394 1 19 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.155 -0.827 19399 1395 1 19 . 1 1 25 25 ASN N N 25 121.465 121.465 116.134 5.331 19399 1396 1 19 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.556 -0.051 19399 1397 1 19 . 1 1 25 25 ASN CA C 25 56.035 56.035 56.379 -0.344 19399 1398 1 19 . 1 1 25 25 ASN CB C 25 38.329 38.329 38.086 0.243 19399 1399 1 19 . 1 1 25 25 ASN H H 25 7.903 7.903 8.608 -0.705 19399 1400 1 19 . 1 1 26 26 VAL N N 26 122.565 122.565 118.044 4.521 19399 1401 1 19 . 1 1 26 26 VAL HA H 26 3.367 3.367 4.024 -0.657 19399 1402 1 19 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.238 2.430 19399 1403 1 19 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.916 -1.040 19399 1404 1 19 . 1 1 26 26 VAL H H 26 8.103 8.103 8.010 0.093 19399 1405 1 19 . 1 1 27 27 LYS N N 27 119.302 119.302 117.683 1.619 19399 1406 1 19 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.383 0.175 19399 1407 1 19 . 1 1 27 27 LYS CA C 27 59.265 59.265 57.235 2.030 19399 1408 1 19 . 1 1 27 27 LYS CB C 27 33.713 33.713 33.154 0.559 19399 1409 1 19 . 1 1 27 27 LYS H H 27 8.509 8.509 7.729 0.780 19399 1410 1 19 . 1 1 28 28 ALA N N 28 123.716 123.716 124.000 -0.284 19399 1411 1 19 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.225 -0.089 19399 1412 1 19 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.088 0.252 19399 1413 1 19 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.710 -0.922 19399 1414 1 19 . 1 1 28 28 ALA H H 28 7.961 7.961 8.662 -0.701 19399 1415 1 19 . 1 1 29 29 LYS N N 29 120.704 120.704 119.030 1.674 19399 1416 1 19 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.104 0.074 19399 1417 1 19 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.303 0.316 19399 1418 1 19 . 1 1 29 29 LYS CB C 29 33.293 33.293 31.487 1.806 19399 1419 1 19 . 1 1 29 29 LYS H H 29 7.884 7.884 7.924 -0.040 19399 1420 1 19 . 1 1 30 30 ILE N N 30 121.823 121.823 121.563 0.260 19399 1421 1 19 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.915 -0.435 19399 1422 1 19 . 1 1 30 30 ILE CA C 30 66.081 66.081 64.043 2.038 19399 1423 1 19 . 1 1 30 30 ILE CB C 30 36.871 36.871 38.305 -1.434 19399 1424 1 19 . 1 1 30 30 ILE H H 30 8.245 8.245 7.949 0.296 19399 1425 1 19 . 1 1 31 31 GLN N N 31 123.747 123.747 116.525 7.222 19399 1426 1 19 . 1 1 31 31 GLN HA H 31 3.793 3.793 4.095 -0.302 19399 1427 1 19 . 1 1 31 31 GLN CA C 31 59.982 59.982 54.717 5.265 19399 1428 1 19 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.492 -0.843 19399 1429 1 19 . 1 1 31 31 GLN H H 31 8.502 8.502 8.131 0.371 19399 1430 1 19 . 1 1 32 32 ASP N N 32 120.236 120.236 119.946 0.290 19399 1431 1 19 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.538 -0.226 19399 1432 1 19 . 1 1 32 32 ASP CA C 32 57.220 57.220 57.080 0.140 19399 1433 1 19 . 1 1 32 32 ASP CB C 32 40.536 40.536 41.610 -1.074 19399 1434 1 19 . 1 1 32 32 ASP H H 32 8.071 8.071 7.823 0.248 19399 1435 1 19 . 1 1 33 33 LYS N N 33 115.876 115.876 114.901 0.975 19399 1436 1 19 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.348 -0.052 19399 1437 1 19 . 1 1 33 33 LYS CA C 33 58.018 58.018 57.864 0.154 19399 1438 1 19 . 1 1 33 33 LYS CB C 33 34.135 34.135 33.962 0.172 19399 1439 1 19 . 1 1 33 33 LYS H H 33 7.445 7.445 7.744 -0.299 19399 1440 1 19 . 1 1 34 34 GLU N N 34 114.203 114.203 121.102 -6.899 19399 1441 1 19 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.850 0.753 19399 1442 1 19 . 1 1 34 34 GLU CA C 34 55.109 55.109 59.058 -3.949 19399 1443 1 19 . 1 1 34 34 GLU CB C 34 32.709 32.709 29.444 3.265 19399 1444 1 19 . 1 1 34 34 GLU H H 34 8.665 8.665 7.786 0.879 19399 1445 1 19 . 1 1 35 35 GLY N N 35 109.243 109.243 105.796 3.447 19399 1446 1 19 . 1 1 35 35 GLY CA C 35 45.970 45.970 47.121 -1.151 19399 1447 1 19 . 1 1 35 35 GLY H H 35 8.478 8.478 8.401 0.077 19399 1448 1 19 . 1 1 36 36 ILE N N 36 120.726 120.726 119.829 0.897 19399 1449 1 19 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.205 0.143 19399 1450 1 19 . 1 1 36 36 ILE CA C 36 57.631 57.631 60.971 -3.340 19399 1451 1 19 . 1 1 36 36 ILE CB C 36 40.385 40.385 36.603 3.782 19399 1452 1 19 . 1 1 36 36 ILE H H 36 6.114 6.114 7.939 -1.825 19399 1453 1 19 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.445 0.161 19399 1454 1 19 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.862 -2.304 19399 1455 1 19 . 1 1 37 37 PRO CB C 37 31.759 31.759 33.541 -1.782 19399 1456 1 19 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.502 -0.405 19399 1457 1 19 . 1 1 38 38 PRO CA C 38 66.022 66.022 63.271 2.751 19399 1458 1 19 . 1 1 38 38 PRO CB C 38 32.892 32.892 31.476 1.416 19399 1459 1 19 . 1 1 39 39 ASP N N 39 113.783 113.783 117.787 -4.004 19399 1460 1 19 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.623 -0.229 19399 1461 1 19 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.878 0.731 19399 1462 1 19 . 1 1 39 39 ASP CB C 39 39.411 39.411 41.957 -2.546 19399 1463 1 19 . 1 1 39 39 ASP H H 39 8.512 8.512 7.970 0.542 19399 1464 1 20 . 1 1 23 23 ILE N N 23 121.672 121.672 119.485 2.187 19399 1465 1 20 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.347 -0.727 19399 1466 1 20 . 1 1 23 23 ILE CA C 23 62.149 62.149 60.902 1.247 19399 1467 1 20 . 1 1 23 23 ILE CB C 23 34.389 34.389 37.716 -3.327 19399 1468 1 20 . 1 1 23 23 ILE H H 23 8.504 8.504 8.238 0.266 19399 1469 1 20 . 1 1 24 24 GLU HA H 24 3.879 3.879 3.497 0.382 19399 1470 1 20 . 1 1 24 24 GLU CA C 24 60.225 60.225 57.993 2.232 19399 1471 1 20 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.053 -0.725 19399 1472 1 20 . 1 1 25 25 ASN N N 25 121.465 121.465 117.241 4.224 19399 1473 1 20 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.569 -0.064 19399 1474 1 20 . 1 1 25 25 ASN CA C 25 56.035 56.035 55.977 0.058 19399 1475 1 20 . 1 1 25 25 ASN CB C 25 38.329 38.329 38.274 0.055 19399 1476 1 20 . 1 1 25 25 ASN H H 25 7.903 7.903 8.569 -0.666 19399 1477 1 20 . 1 1 26 26 VAL N N 26 122.565 122.565 117.804 4.761 19399 1478 1 20 . 1 1 26 26 VAL HA H 26 3.367 3.367 4.347 -0.980 19399 1479 1 20 . 1 1 26 26 VAL CA C 26 67.668 67.668 64.133 3.535 19399 1480 1 20 . 1 1 26 26 VAL CB C 26 30.877 30.877 32.484 -1.607 19399 1481 1 20 . 1 1 26 26 VAL H H 26 8.103 8.103 7.656 0.447 19399 1482 1 20 . 1 1 27 27 LYS N N 27 119.302 119.302 121.481 -2.179 19399 1483 1 20 . 1 1 27 27 LYS HA H 27 4.558 4.558 3.834 0.724 19399 1484 1 20 . 1 1 27 27 LYS CA C 27 59.265 59.265 59.422 -0.157 19399 1485 1 20 . 1 1 27 27 LYS CB C 27 33.713 33.713 31.855 1.857 19399 1486 1 20 . 1 1 27 27 LYS H H 27 8.509 8.509 8.058 0.451 19399 1487 1 20 . 1 1 28 28 ALA N N 28 123.716 123.716 120.837 2.879 19399 1488 1 20 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.101 0.035 19399 1489 1 20 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.806 -0.466 19399 1490 1 20 . 1 1 28 28 ALA CB C 28 17.788 17.788 17.964 -0.176 19399 1491 1 20 . 1 1 28 28 ALA H H 28 7.961 7.961 8.229 -0.268 19399 1492 1 20 . 1 1 29 29 LYS N N 29 120.704 120.704 119.505 1.199 19399 1493 1 20 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.037 0.141 19399 1494 1 20 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.245 0.374 19399 1495 1 20 . 1 1 29 29 LYS CB C 29 33.293 33.293 31.962 1.331 19399 1496 1 20 . 1 1 29 29 LYS H H 29 7.884 7.884 8.352 -0.468 19399 1497 1 20 . 1 1 30 30 ILE N N 30 121.823 121.823 118.032 3.791 19399 1498 1 20 . 1 1 30 30 ILE HA H 30 3.480 3.480 4.009 -0.529 19399 1499 1 20 . 1 1 30 30 ILE CA C 30 66.081 66.081 63.246 2.835 19399 1500 1 20 . 1 1 30 30 ILE CB C 30 36.871 36.871 38.154 -1.283 19399 1501 1 20 . 1 1 30 30 ILE H H 30 8.245 8.245 8.695 -0.450 19399 1502 1 20 . 1 1 31 31 GLN N N 31 123.747 123.747 120.618 3.129 19399 1503 1 20 . 1 1 31 31 GLN HA H 31 3.793 3.793 4.039 -0.246 19399 1504 1 20 . 1 1 31 31 GLN CA C 31 59.982 59.982 60.029 -0.047 19399 1505 1 20 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.247 -0.598 19399 1506 1 20 . 1 1 31 31 GLN H H 31 8.502 8.502 7.814 0.688 19399 1507 1 20 . 1 1 32 32 ASP N N 32 120.236 120.236 119.284 0.952 19399 1508 1 20 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.234 0.078 19399 1509 1 20 . 1 1 32 32 ASP CA C 32 57.220 57.220 57.788 -0.568 19399 1510 1 20 . 1 1 32 32 ASP CB C 32 40.536 40.536 40.713 -0.177 19399 1511 1 20 . 1 1 32 32 ASP H H 32 8.071 8.071 8.062 0.009 19399 1512 1 20 . 1 1 33 33 LYS N N 33 115.876 115.876 117.390 -1.514 19399 1513 1 20 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.155 0.141 19399 1514 1 20 . 1 1 33 33 LYS CA C 33 58.018 58.018 58.875 -0.857 19399 1515 1 20 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.359 1.776 19399 1516 1 20 . 1 1 33 33 LYS H H 33 7.445 7.445 7.664 -0.219 19399 1517 1 20 . 1 1 34 34 GLU N N 34 114.203 114.203 121.749 -7.546 19399 1518 1 20 . 1 1 34 34 GLU HA H 34 4.603 4.603 4.242 0.361 19399 1519 1 20 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.900 -3.791 19399 1520 1 20 . 1 1 34 34 GLU CB C 34 32.709 32.709 29.995 2.714 19399 1521 1 20 . 1 1 34 34 GLU H H 34 8.665 8.665 7.560 1.105 19399 1522 1 20 . 1 1 35 35 GLY N N 35 109.243 109.243 105.455 3.788 19399 1523 1 20 . 1 1 35 35 GLY CA C 35 45.970 45.970 44.342 1.628 19399 1524 1 20 . 1 1 35 35 GLY H H 35 8.478 8.478 8.474 0.004 19399 1525 1 20 . 1 1 36 36 ILE N N 36 120.726 120.726 118.876 1.850 19399 1526 1 20 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.037 0.311 19399 1527 1 20 . 1 1 36 36 ILE CA C 36 57.631 57.631 63.118 -5.487 19399 1528 1 20 . 1 1 36 36 ILE CB C 36 40.385 40.385 38.538 1.847 19399 1529 1 20 . 1 1 36 36 ILE H H 36 6.114 6.114 7.369 -1.255 19399 1530 1 20 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.661 -0.055 19399 1531 1 20 . 1 1 37 37 PRO CA C 37 61.558 61.558 62.201 -0.643 19399 1532 1 20 . 1 1 37 37 PRO CB C 37 31.759 31.759 32.597 -0.838 19399 1533 1 20 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.297 -0.200 19399 1534 1 20 . 1 1 38 38 PRO CA C 38 66.022 66.022 65.713 0.309 19399 1535 1 20 . 1 1 38 38 PRO CB C 38 32.892 32.892 32.092 0.800 19399 1536 1 20 . 1 1 39 39 ASP N N 39 113.783 113.783 120.305 -6.522 19399 1537 1 20 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.820 -0.426 19399 1538 1 20 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.081 1.528 19399 1539 1 20 . 1 1 39 39 ASP CB C 39 39.411 39.411 40.407 -0.996 19399 1540 1 20 . 1 1 39 39 ASP H H 39 8.512 8.512 7.914 0.598 19399 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 14 3.777 -0.518 3.882 19399 2 1 1 "Average Difference" HA 18 0.350 -0.026 0.360 19399 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19399 4 1 1 "Average Difference" CA 17 2.097 -0.011 2.162 19399 5 1 1 "Average Difference" CB 16 1.957 -0.324 1.994 19399 6 1 1 "Average Difference" HN 14 0.703 -0.122 0.719 19399 7 1 2 "Average Difference" N 14 3.622 -0.973 3.620 19399 8 1 2 "Average Difference" HA 18 0.389 0.096 0.388 19399 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19399 10 1 2 "Average Difference" CA 17 2.108 -0.418 2.130 19399 11 1 2 "Average Difference" CB 16 2.023 -0.091 2.087 19399 12 1 2 "Average Difference" HN 14 0.575 -0.127 0.583 19399 13 1 3 "Average Difference" N 14 3.735 -0.692 3.809 19399 14 1 3 "Average Difference" HA 18 0.394 -0.019 0.405 19399 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19399 16 1 3 "Average Difference" CA 17 2.030 -0.049 2.092 19399 17 1 3 "Average Difference" CB 16 1.966 0.024 2.030 19399 18 1 3 "Average Difference" HN 14 0.632 -0.226 0.612 19399 19 1 4 "Average Difference" N 14 3.507 -0.101 3.638 19399 20 1 4 "Average Difference" HA 18 0.374 -0.009 0.385 19399 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19399 22 1 4 "Average Difference" CA 17 2.129 -0.111 2.191 19399 23 1 4 "Average Difference" CB 16 1.753 -0.167 1.802 19399 24 1 4 "Average Difference" HN 14 0.816 -0.092 0.841 19399 25 1 5 "Average Difference" N 14 3.061 -0.631 3.108 19399 26 1 5 "Average Difference" HA 18 0.364 -0.061 0.370 19399 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19399 28 1 5 "Average Difference" CA 17 1.630 -0.159 1.672 19399 29 1 5 "Average Difference" CB 16 1.850 -0.149 1.905 19399 30 1 5 "Average Difference" HN 14 0.728 -0.311 0.683 19399 31 1 6 "Average Difference" N 14 3.108 -0.383 3.201 19399 32 1 6 "Average Difference" HA 18 0.384 -0.094 0.384 19399 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19399 34 1 6 "Average Difference" CA 17 1.999 0.059 2.060 19399 35 1 6 "Average Difference" CB 16 1.974 -0.081 2.037 19399 36 1 6 "Average Difference" HN 14 0.638 -0.164 0.640 19399 37 1 7 "Average Difference" N 14 3.737 -0.022 3.878 19399 38 1 7 "Average Difference" HA 18 0.409 0.021 0.420 19399 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19399 40 1 7 "Average Difference" CA 17 2.262 -0.204 2.322 19399 41 1 7 "Average Difference" CB 16 1.679 -0.106 1.731 19399 42 1 7 "Average Difference" HN 14 0.592 0.076 0.610 19399 43 1 8 "Average Difference" N 14 3.925 -0.208 4.067 19399 44 1 8 "Average Difference" HA 18 0.358 0.040 0.366 19399 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19399 46 1 8 "Average Difference" CA 17 2.059 -0.184 2.114 19399 47 1 8 "Average Difference" CB 16 1.765 -0.146 1.816 19399 48 1 8 "Average Difference" HN 14 0.674 -0.277 0.638 19399 49 1 9 "Average Difference" N 14 3.439 -0.780 3.476 19399 50 1 9 "Average Difference" HA 18 0.409 0.019 0.420 19399 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19399 52 1 9 "Average Difference" CA 17 1.749 -0.286 1.778 19399 53 1 9 "Average Difference" CB 16 2.171 -0.009 2.243 19399 54 1 9 "Average Difference" HN 14 0.779 -0.253 0.764 19399 55 1 10 "Average Difference" N 14 3.885 -0.610 3.982 19399 56 1 10 "Average Difference" HA 18 0.432 0.054 0.441 19399 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19399 58 1 10 "Average Difference" CA 17 2.424 -0.282 2.481 19399 59 1 10 "Average Difference" CB 16 1.919 -0.049 1.981 19399 60 1 10 "Average Difference" HN 14 0.550 0.006 0.571 19399 61 1 11 "Average Difference" N 14 3.853 -0.952 3.874 19399 62 1 11 "Average Difference" HA 18 0.376 0.078 0.378 19399 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19399 64 1 11 "Average Difference" CA 17 2.114 -0.176 2.172 19399 65 1 11 "Average Difference" CB 16 1.730 0.070 1.785 19399 66 1 11 "Average Difference" HN 14 0.550 -0.147 0.550 19399 67 1 12 "Average Difference" N 14 3.619 -0.723 3.680 19399 68 1 12 "Average Difference" HA 18 0.401 0.057 0.408 19399 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19399 70 1 12 "Average Difference" CA 17 1.935 -0.101 1.992 19399 71 1 12 "Average Difference" CB 16 1.782 0.182 1.830 19399 72 1 12 "Average Difference" HN 14 0.714 -0.275 0.683 19399 73 1 13 "Average Difference" N 14 3.540 -0.738 3.593 19399 74 1 13 "Average Difference" HA 18 0.396 -0.021 0.407 19399 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19399 76 1 13 "Average Difference" CA 17 1.936 0.097 1.993 19399 77 1 13 "Average Difference" CB 16 2.191 -0.039 2.263 19399 78 1 13 "Average Difference" HN 14 0.757 -0.325 0.709 19399 79 1 14 "Average Difference" N 14 3.414 -0.201 3.537 19399 80 1 14 "Average Difference" HA 18 0.425 -0.007 0.437 19399 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19399 82 1 14 "Average Difference" CA 17 2.161 0.062 2.227 19399 83 1 14 "Average Difference" CB 16 2.055 0.222 2.110 19399 84 1 14 "Average Difference" HN 14 0.638 -0.201 0.628 19399 85 1 15 "Average Difference" N 14 3.280 -0.681 3.329 19399 86 1 15 "Average Difference" HA 18 0.416 0.083 0.420 19399 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19399 88 1 15 "Average Difference" CA 17 2.411 -0.065 2.484 19399 89 1 15 "Average Difference" CB 16 1.951 0.101 2.012 19399 90 1 15 "Average Difference" HN 14 0.701 0.070 0.724 19399 91 1 16 "Average Difference" N 14 3.373 -0.315 3.485 19399 92 1 16 "Average Difference" HA 18 0.348 0.034 0.356 19399 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19399 94 1 16 "Average Difference" CA 17 2.298 -0.600 2.286 19399 95 1 16 "Average Difference" CB 16 1.661 -0.070 1.714 19399 96 1 16 "Average Difference" HN 14 0.648 -0.121 0.661 19399 97 1 17 "Average Difference" N 14 4.108 -0.730 4.195 19399 98 1 17 "Average Difference" HA 18 0.387 0.077 0.390 19399 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19399 100 1 17 "Average Difference" CA 17 2.219 -0.253 2.272 19399 101 1 17 "Average Difference" CB 16 1.881 0.018 1.943 19399 102 1 17 "Average Difference" HN 14 0.690 -0.208 0.683 19399 103 1 18 "Average Difference" N 14 4.289 -0.742 4.384 19399 104 1 18 "Average Difference" HA 18 0.453 -0.021 0.465 19399 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19399 106 1 18 "Average Difference" CA 17 2.322 -0.301 2.373 19399 107 1 18 "Average Difference" CB 16 1.833 0.092 1.891 19399 108 1 18 "Average Difference" HN 14 0.641 -0.133 0.650 19399 109 1 19 "Average Difference" N 14 3.632 -1.138 3.580 19399 110 1 19 "Average Difference" HA 18 0.335 0.085 0.334 19399 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19399 112 1 19 "Average Difference" CA 17 2.241 -0.236 2.297 19399 113 1 19 "Average Difference" CB 16 1.969 0.195 2.023 19399 114 1 19 "Average Difference" HN 14 0.688 -0.015 0.714 19399 115 1 20 "Average Difference" N 14 3.821 -0.786 3.880 19399 116 1 20 "Average Difference" HA 18 0.412 0.070 0.417 19399 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19399 118 1 20 "Average Difference" CA 17 2.149 -0.102 2.212 19399 119 1 20 "Average Difference" CB 16 1.536 -0.041 1.585 19399 120 1 20 "Average Difference" HN 14 0.603 -0.017 0.625 19399 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 19399 _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 23 23 ILE N N 23 121.672 121.672 120.503 1.169 19399 2 1 . 1 1 23 23 ILE HA H 23 3.620 3.620 4.212 -0.592 19399 3 1 . 1 1 23 23 ILE CA C 23 62.149 62.149 62.083 0.066 19399 4 1 . 1 1 23 23 ILE CB C 23 34.389 34.389 38.299 -3.910 19399 5 1 . 1 1 23 23 ILE H H 23 8.504 8.504 8.097 0.406 19399 6 1 . 1 1 24 24 GLU HA H 24 3.879 3.879 4.106 -0.227 19399 7 1 . 1 1 24 24 GLU CA C 24 60.225 60.225 59.280 0.945 19399 8 1 . 1 1 24 24 GLU CB C 24 28.328 28.328 29.557 -1.229 19399 9 1 . 1 1 25 25 ASN N N 25 121.465 121.465 116.875 4.590 19399 10 1 . 1 1 25 25 ASN HA H 25 4.505 4.505 4.513 -0.008 19399 11 1 . 1 1 25 25 ASN CA C 25 56.035 56.035 55.913 0.122 19399 12 1 . 1 1 25 25 ASN CB C 25 38.329 38.329 37.934 0.395 19399 13 1 . 1 1 25 25 ASN H H 25 7.903 7.903 8.392 -0.489 19399 14 1 . 1 1 26 26 VAL N N 26 122.565 122.565 119.165 3.400 19399 15 1 . 1 1 26 26 VAL HA H 26 3.367 3.367 3.940 -0.573 19399 16 1 . 1 1 26 26 VAL CA C 26 67.668 67.668 65.258 2.410 19399 17 1 . 1 1 26 26 VAL CB C 26 30.877 30.877 31.773 -0.897 19399 18 1 . 1 1 26 26 VAL H H 26 8.103 8.103 8.145 -0.042 19399 19 1 . 1 1 27 27 LYS N N 27 119.302 119.302 119.446 -0.144 19399 20 1 . 1 1 27 27 LYS HA H 27 4.558 4.558 4.121 0.437 19399 21 1 . 1 1 27 27 LYS CA C 27 59.265 59.265 58.449 0.816 19399 22 1 . 1 1 27 27 LYS CB C 27 33.713 33.713 32.314 1.399 19399 23 1 . 1 1 27 27 LYS H H 27 8.509 8.509 7.702 0.807 19399 24 1 . 1 1 28 28 ALA N N 28 123.716 123.716 122.277 1.439 19399 25 1 . 1 1 28 28 ALA HA H 28 4.136 4.136 4.211 -0.075 19399 26 1 . 1 1 28 28 ALA CA C 28 55.340 55.340 55.161 0.179 19399 27 1 . 1 1 28 28 ALA CB C 28 17.788 17.788 18.536 -0.748 19399 28 1 . 1 1 28 28 ALA H H 28 7.961 7.961 7.805 0.156 19399 29 1 . 1 1 29 29 LYS N N 29 120.704 120.704 119.302 1.403 19399 30 1 . 1 1 29 29 LYS HA H 29 4.178 4.178 4.037 0.141 19399 31 1 . 1 1 29 29 LYS CA C 29 59.619 59.619 59.282 0.337 19399 32 1 . 1 1 29 29 LYS CB C 29 33.293 33.293 31.933 1.360 19399 33 1 . 1 1 29 29 LYS H H 29 7.884 7.884 7.901 -0.017 19399 34 1 . 1 1 30 30 ILE N N 30 121.823 121.823 120.064 1.759 19399 35 1 . 1 1 30 30 ILE HA H 30 3.480 3.480 3.951 -0.471 19399 36 1 . 1 1 30 30 ILE CA C 30 66.081 66.081 63.047 3.034 19399 37 1 . 1 1 30 30 ILE CB C 30 36.871 36.871 38.015 -1.145 19399 38 1 . 1 1 30 30 ILE H H 30 8.245 8.245 7.940 0.305 19399 39 1 . 1 1 31 31 GLN N N 31 123.747 123.747 118.752 4.995 19399 40 1 . 1 1 31 31 GLN HA H 31 3.793 3.793 3.852 -0.059 19399 41 1 . 1 1 31 31 GLN CA C 31 59.982 59.982 57.721 2.261 19399 42 1 . 1 1 31 31 GLN CB C 31 27.649 27.649 28.913 -1.264 19399 43 1 . 1 1 31 31 GLN H H 31 8.502 8.502 8.031 0.471 19399 44 1 . 1 1 32 32 ASP N N 32 120.236 120.236 119.353 0.883 19399 45 1 . 1 1 32 32 ASP HA H 32 4.312 4.312 4.473 -0.161 19399 46 1 . 1 1 32 32 ASP CA C 32 57.220 57.220 56.897 0.323 19399 47 1 . 1 1 32 32 ASP CB C 32 40.536 40.536 40.828 -0.292 19399 48 1 . 1 1 32 32 ASP H H 32 8.071 8.071 7.895 0.176 19399 49 1 . 1 1 33 33 LYS N N 33 115.876 115.876 118.443 -2.567 19399 50 1 . 1 1 33 33 LYS HA H 33 4.296 4.296 4.147 0.149 19399 51 1 . 1 1 33 33 LYS CA C 33 58.018 58.018 58.733 -0.715 19399 52 1 . 1 1 33 33 LYS CB C 33 34.135 34.135 32.556 1.579 19399 53 1 . 1 1 33 33 LYS H H 33 7.445 7.445 7.745 -0.300 19399 54 1 . 1 1 34 34 GLU N N 34 114.203 114.203 121.496 -7.293 19399 55 1 . 1 1 34 34 GLU HA H 34 4.603 4.603 3.863 0.740 19399 56 1 . 1 1 34 34 GLU CA C 34 55.109 55.109 58.780 -3.671 19399 57 1 . 1 1 34 34 GLU CB C 34 32.709 32.709 29.059 3.650 19399 58 1 . 1 1 34 34 GLU H H 34 8.665 8.665 7.808 0.857 19399 59 1 . 1 1 35 35 GLY N N 35 109.243 109.243 105.986 3.257 19399 60 1 . 1 1 35 35 GLY CA C 35 45.970 45.970 45.838 0.132 19399 61 1 . 1 1 35 35 GLY H H 35 8.478 8.478 7.823 0.655 19399 62 1 . 1 1 36 36 ILE N N 36 120.726 120.726 119.971 0.755 19399 63 1 . 1 1 36 36 ILE HA H 36 4.348 4.348 4.094 0.254 19399 64 1 . 1 1 36 36 ILE CA C 36 57.631 57.631 62.175 -4.544 19399 65 1 . 1 1 36 36 ILE CB C 36 40.385 40.385 37.854 2.531 19399 66 1 . 1 1 36 36 ILE H H 36 6.114 6.114 7.524 -1.410 19399 67 1 . 1 1 37 37 PRO HA H 37 4.606 4.606 4.341 0.265 19399 68 1 . 1 1 37 37 PRO CA C 37 61.558 61.558 63.409 -1.851 19399 69 1 . 1 1 37 37 PRO CB C 37 31.759 31.759 32.101 -0.342 19399 70 1 . 1 1 38 38 PRO HA H 38 4.097 4.097 4.371 -0.274 19399 71 1 . 1 1 38 38 PRO CA C 38 66.022 66.022 64.108 1.914 19399 72 1 . 1 1 38 38 PRO CB C 38 32.892 32.892 32.039 0.853 19399 73 1 . 1 1 39 39 ASP N N 39 113.783 113.783 119.080 -5.297 19399 74 1 . 1 1 39 39 ASP HA H 39 4.394 4.394 4.701 -0.307 19399 75 1 . 1 1 39 39 ASP CA C 39 55.609 55.609 54.544 1.065 19399 76 1 . 1 1 39 39 ASP CB C 39 39.411 39.411 41.059 -1.648 19399 77 1 . 1 1 39 39 ASP H H 39 8.512 8.512 8.083 0.429 19399 stop_ save_