data_25973 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25973 _Entry.PDB_ID 2NBE 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 25973 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLN N N 2 124.960 124.960 117.783 7.177 25973 2 1 1 . 1 1 2 2 GLN HA H 2 5.089 5.089 4.831 0.258 25973 3 1 1 . 1 1 2 2 GLN C C 2 172.479 172.479 173.249 -0.770 25973 4 1 1 . 1 1 2 2 GLN CA C 2 52.320 52.320 55.270 -2.950 25973 5 1 1 . 1 1 2 2 GLN CB C 2 28.181 28.181 32.054 -3.873 25973 6 1 1 . 1 1 2 2 GLN H H 2 8.807 8.807 8.265 0.542 25973 7 1 1 . 1 1 3 3 ILE N N 3 116.556 116.556 114.236 2.320 25973 8 1 1 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.459 -0.281 25973 9 1 1 . 1 1 3 3 ILE C C 3 169.813 169.813 173.627 -3.814 25973 10 1 1 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.977 -3.356 25973 11 1 1 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.584 -2.479 25973 12 1 1 . 1 1 3 3 ILE H H 3 8.237 8.237 8.819 -0.582 25973 13 1 1 . 1 1 4 4 PHE N N 4 118.417 118.417 121.263 -2.846 25973 14 1 1 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.538 -0.039 25973 15 1 1 . 1 1 4 4 PHE C C 4 172.505 172.505 175.369 -2.864 25973 16 1 1 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.030 -3.206 25973 17 1 1 . 1 1 4 4 PHE CB C 4 38.890 38.890 41.890 -3.000 25973 18 1 1 . 1 1 4 4 PHE H H 4 8.675 8.675 8.728 -0.053 25973 19 1 1 . 1 1 5 5 VAL N N 5 120.755 120.755 122.475 -1.720 25973 20 1 1 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.613 -0.026 25973 21 1 1 . 1 1 5 5 VAL C C 5 172.070 172.070 174.441 -2.371 25973 22 1 1 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.312 -3.192 25973 23 1 1 . 1 1 5 5 VAL CB C 5 32.048 32.048 33.886 -1.838 25973 24 1 1 . 1 1 5 5 VAL H H 5 9.190 9.190 9.379 -0.189 25973 25 1 1 . 1 1 6 6 LYS N N 6 127.964 127.964 129.456 -1.492 25973 26 1 1 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.727 0.511 25973 27 1 1 . 1 1 6 6 LYS C C 6 174.119 174.119 175.731 -1.612 25973 28 1 1 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.874 -3.003 25973 29 1 1 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.901 -2.232 25973 30 1 1 . 1 1 6 6 LYS H H 6 8.758 8.758 9.199 -0.441 25973 31 1 1 . 1 1 7 7 THR N N 7 115.618 115.618 117.154 -1.536 25973 32 1 1 . 1 1 7 7 THR HA H 7 4.912 4.912 4.777 0.135 25973 33 1 1 . 1 1 7 7 THR C C 7 173.994 173.994 176.340 -2.346 25973 34 1 1 . 1 1 7 7 THR CA C 7 57.844 57.844 59.577 -1.733 25973 35 1 1 . 1 1 7 7 THR CB C 7 68.137 68.137 71.105 -2.968 25973 36 1 1 . 1 1 7 7 THR H H 7 8.573 8.573 7.848 0.725 25973 37 1 1 . 1 1 8 8 LEU N N 8 122.083 122.083 120.281 1.802 25973 38 1 1 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.385 -0.176 25973 39 1 1 . 1 1 8 8 LEU C C 8 176.005 176.005 178.171 -2.166 25973 40 1 1 . 1 1 8 8 LEU CA C 8 55.656 55.656 56.726 -1.070 25973 41 1 1 . 1 1 8 8 LEU CB C 8 39.247 39.247 42.098 -2.851 25973 42 1 1 . 1 1 8 8 LEU H H 8 9.034 9.034 8.793 0.241 25973 43 1 1 . 1 1 9 9 THR N N 9 105.803 105.803 110.335 -4.532 25973 44 1 1 . 1 1 9 9 THR HA H 9 4.503 4.503 4.384 0.119 25973 45 1 1 . 1 1 9 9 THR C C 9 172.624 172.624 176.131 -3.507 25973 46 1 1 . 1 1 9 9 THR CA C 9 58.961 58.961 61.585 -2.624 25973 47 1 1 . 1 1 9 9 THR CB C 9 66.541 66.541 70.150 -3.609 25973 48 1 1 . 1 1 9 9 THR H H 9 7.582 7.582 8.023 -0.441 25973 49 1 1 . 1 1 10 10 GLY N N 10 109.254 109.254 111.738 -2.484 25973 50 1 1 . 1 1 10 10 GLY C C 10 171.405 171.405 173.724 -2.319 25973 51 1 1 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.056 -2.403 25973 52 1 1 . 1 1 10 10 GLY H H 10 7.770 7.770 7.485 0.285 25973 53 1 1 . 1 1 11 11 LYS N N 11 121.278 121.278 125.180 -3.902 25973 54 1 1 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.063 0.245 25973 55 1 1 . 1 1 11 11 LYS C C 11 173.489 173.489 175.782 -2.293 25973 56 1 1 . 1 1 11 11 LYS CA C 11 53.385 53.385 57.384 -3.999 25973 57 1 1 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.645 -2.473 25973 58 1 1 . 1 1 11 11 LYS H H 11 7.313 7.313 7.757 -0.444 25973 59 1 1 . 1 1 12 12 THR N N 12 120.644 120.644 121.333 -0.689 25973 60 1 1 . 1 1 12 12 THR HA H 12 4.972 4.972 5.029 -0.057 25973 61 1 1 . 1 1 12 12 THR C C 12 171.547 171.547 174.488 -2.941 25973 62 1 1 . 1 1 12 12 THR CA C 12 59.880 59.880 61.793 -1.913 25973 63 1 1 . 1 1 12 12 THR CB C 12 67.386 67.386 69.697 -2.311 25973 64 1 1 . 1 1 12 12 THR H H 12 8.659 8.659 8.138 0.521 25973 65 1 1 . 1 1 13 13 ILE N N 13 125.497 125.497 126.793 -1.296 25973 66 1 1 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.522 0.016 25973 67 1 1 . 1 1 13 13 ILE C C 13 172.300 172.300 175.410 -3.110 25973 68 1 1 . 1 1 13 13 ILE CA C 13 57.114 57.114 59.861 -2.747 25973 69 1 1 . 1 1 13 13 ILE CB C 13 38.695 38.695 40.270 -1.575 25973 70 1 1 . 1 1 13 13 ILE H H 13 9.169 9.169 9.176 -0.007 25973 71 1 1 . 1 1 14 14 THR N N 14 120.078 120.078 120.873 -0.795 25973 72 1 1 . 1 1 14 14 THR HA H 14 4.883 4.883 4.810 0.073 25973 73 1 1 . 1 1 14 14 THR C C 14 170.915 170.915 173.600 -2.685 25973 74 1 1 . 1 1 14 14 THR CA C 14 58.998 58.998 61.689 -2.691 25973 75 1 1 . 1 1 14 14 THR CB C 14 67.221 67.221 69.397 -2.176 25973 76 1 1 . 1 1 14 14 THR H H 14 8.596 8.596 8.433 0.163 25973 77 1 1 . 1 1 15 15 LEU N N 15 124.381 124.381 128.107 -3.726 25973 78 1 1 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.639 0.117 25973 79 1 1 . 1 1 15 15 LEU C C 15 172.377 172.377 174.820 -2.443 25973 80 1 1 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.374 -3.373 25973 81 1 1 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.490 -1.369 25973 82 1 1 . 1 1 15 15 LEU H H 15 8.706 8.706 9.005 -0.299 25973 83 1 1 . 1 1 16 16 GLU N N 16 122.156 122.156 124.491 -2.335 25973 84 1 1 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.398 0.454 25973 85 1 1 . 1 1 16 16 GLU C C 16 172.785 172.785 175.018 -2.233 25973 86 1 1 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.729 -4.012 25973 87 1 1 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.876 -5.644 25973 88 1 1 . 1 1 16 16 GLU H H 16 8.259 8.259 8.629 -0.370 25973 89 1 1 . 1 1 17 17 VAL N N 17 115.706 115.706 120.393 -4.687 25973 90 1 1 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.453 0.180 25973 91 1 1 . 1 1 17 17 VAL C C 17 171.495 171.495 174.448 -2.953 25973 92 1 1 . 1 1 17 17 VAL CA C 17 55.667 55.667 60.357 -4.690 25973 93 1 1 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.834 -1.619 25973 94 1 1 . 1 1 17 17 VAL H H 17 8.631 8.631 7.958 0.673 25973 95 1 1 . 1 1 18 18 GLU N N 18 117.702 117.702 119.138 -1.436 25973 96 1 1 . 1 1 18 18 GLU H H 18 7.705 7.705 8.334 -0.629 25973 97 1 1 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.473 -0.436 25973 98 1 1 . 1 1 19 19 PRO C C 19 172.411 172.411 175.929 -3.518 25973 99 1 1 . 1 1 19 19 PRO CA C 19 62.565 62.565 64.246 -1.681 25973 100 1 1 . 1 1 19 19 PRO CB C 19 29.354 29.354 31.967 -2.613 25973 101 1 1 . 1 1 20 20 SER N N 20 104.376 104.376 112.189 -7.813 25973 102 1 1 . 1 1 20 20 SER HA H 20 4.270 4.270 4.478 -0.208 25973 103 1 1 . 1 1 20 20 SER C C 20 172.006 172.006 174.781 -2.775 25973 104 1 1 . 1 1 20 20 SER CA C 20 54.697 54.697 58.585 -3.888 25973 105 1 1 . 1 1 20 20 SER CB C 20 60.491 60.491 65.000 -4.509 25973 106 1 1 . 1 1 20 20 SER H H 20 7.127 7.127 7.814 -0.687 25973 107 1 1 . 1 1 21 21 ASP N N 21 121.646 121.646 124.430 -2.784 25973 108 1 1 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.786 -0.072 25973 109 1 1 . 1 1 21 21 ASP C C 21 172.786 172.786 175.734 -2.948 25973 110 1 1 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.514 -3.078 25973 111 1 1 . 1 1 21 21 ASP CB C 21 36.288 36.288 42.095 -5.807 25973 112 1 1 . 1 1 21 21 ASP H H 21 7.890 7.890 7.743 0.147 25973 113 1 1 . 1 1 22 22 THR N N 22 109.295 109.295 111.092 -1.797 25973 114 1 1 . 1 1 22 22 THR HA H 22 4.833 4.833 4.424 0.409 25973 115 1 1 . 1 1 22 22 THR C C 22 173.653 173.653 175.957 -2.304 25973 116 1 1 . 1 1 22 22 THR CA C 22 57.439 57.439 60.797 -3.358 25973 117 1 1 . 1 1 22 22 THR CB C 22 68.925 68.925 70.876 -1.951 25973 118 1 1 . 1 1 22 22 THR H H 22 8.202 8.202 8.213 -0.011 25973 119 1 1 . 1 1 23 23 ILE N N 23 121.424 121.424 121.654 -0.230 25973 120 1 1 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.744 -0.148 25973 121 1 1 . 1 1 23 23 ILE C C 23 176.250 176.250 177.487 -1.237 25973 122 1 1 . 1 1 23 23 ILE CA C 23 59.208 59.208 63.220 -4.012 25973 123 1 1 . 1 1 23 23 ILE CB C 23 31.692 31.692 37.295 -5.603 25973 124 1 1 . 1 1 23 23 ILE H H 23 8.450 8.450 8.736 -0.286 25973 125 1 1 . 1 1 24 24 GLU N N 24 120.359 120.359 121.233 -0.874 25973 126 1 1 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.983 -0.169 25973 127 1 1 . 1 1 24 24 GLU C C 24 175.008 175.008 178.933 -3.925 25973 128 1 1 . 1 1 24 24 GLU CA C 24 56.671 56.671 60.040 -3.369 25973 129 1 1 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.195 -3.609 25973 130 1 1 . 1 1 24 24 GLU H H 24 8.802 8.802 8.653 0.149 25973 131 1 1 . 1 1 25 25 ASN N N 25 119.035 119.035 117.878 1.157 25973 132 1 1 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.495 -0.102 25973 133 1 1 . 1 1 25 25 ASN C C 25 175.438 175.438 177.496 -2.058 25973 134 1 1 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.003 -2.348 25973 135 1 1 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.312 -2.043 25973 136 1 1 . 1 1 25 25 ASN H H 25 7.928 7.928 8.072 -0.144 25973 137 1 1 . 1 1 26 26 ALA N N 26 122.272 122.272 123.191 -0.919 25973 138 1 1 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.921 -0.110 25973 139 1 1 . 1 1 26 26 ALA C C 26 176.256 176.256 179.458 -3.202 25973 140 1 1 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.211 -2.165 25973 141 1 1 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.413 -5.159 25973 142 1 1 . 1 1 26 26 ALA H H 26 7.949 7.949 7.673 0.276 25973 143 1 1 . 1 1 27 27 LYS N N 27 117.069 117.069 118.958 -1.889 25973 144 1 1 . 1 1 27 27 LYS H H 27 8.469 8.469 7.958 0.511 25973 145 1 1 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.017 0.052 25973 146 1 1 . 1 1 28 28 ALA C C 28 177.699 177.699 179.288 -1.589 25973 147 1 1 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.120 -2.553 25973 148 1 1 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.365 -3.412 25973 149 1 1 . 1 1 29 29 LYS N N 29 119.644 119.644 119.531 0.113 25973 150 1 1 . 1 1 29 29 LYS HA H 29 4.101 4.101 4.009 0.092 25973 151 1 1 . 1 1 29 29 LYS C C 29 177.487 177.487 179.106 -1.619 25973 152 1 1 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.644 -2.819 25973 153 1 1 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.463 -2.241 25973 154 1 1 . 1 1 29 29 LYS H H 29 7.726 7.726 7.765 -0.039 25973 155 1 1 . 1 1 30 30 ILE N N 30 121.905 121.905 120.155 1.750 25973 156 1 1 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.643 0.539 25973 157 1 1 . 1 1 30 30 ILE C C 30 175.724 175.724 177.592 -1.868 25973 158 1 1 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.072 -1.527 25973 159 1 1 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.871 -3.666 25973 160 1 1 . 1 1 30 30 ILE H H 30 8.206 8.206 8.131 0.075 25973 161 1 1 . 1 1 31 31 GLN N N 31 123.624 123.624 121.009 2.615 25973 162 1 1 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.144 -0.408 25973 163 1 1 . 1 1 31 31 GLN C C 31 176.118 176.118 178.412 -2.294 25973 164 1 1 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.007 -1.909 25973 165 1 1 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.145 -2.595 25973 166 1 1 . 1 1 31 31 GLN H H 31 8.597 8.597 7.711 0.886 25973 167 1 1 . 1 1 32 32 ASP N N 32 118.441 118.441 118.720 -0.279 25973 168 1 1 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.499 -0.185 25973 169 1 1 . 1 1 32 32 ASP C C 32 173.568 173.568 177.794 -4.226 25973 170 1 1 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.343 -2.979 25973 171 1 1 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.825 -5.672 25973 172 1 1 . 1 1 32 32 ASP H H 32 7.994 7.994 7.794 0.200 25973 173 1 1 . 1 1 33 33 LYS N N 33 115.568 115.568 119.058 -3.490 25973 174 1 1 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.341 -0.046 25973 175 1 1 . 1 1 33 33 LYS C C 33 174.935 174.935 177.993 -3.058 25973 176 1 1 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.797 -2.366 25973 177 1 1 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.572 -1.759 25973 178 1 1 . 1 1 33 33 LYS H H 33 7.383 7.383 7.470 -0.087 25973 179 1 1 . 1 1 34 34 GLU N N 34 113.069 113.069 116.075 -3.006 25973 180 1 1 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.437 0.182 25973 181 1 1 . 1 1 34 34 GLU C C 34 174.551 174.551 177.256 -2.705 25973 182 1 1 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.535 -4.313 25973 183 1 1 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.789 -1.876 25973 184 1 1 . 1 1 34 34 GLU H H 34 8.697 8.697 8.328 0.369 25973 185 1 1 . 1 1 35 35 GLY N N 35 108.734 108.734 108.947 -0.213 25973 186 1 1 . 1 1 35 35 GLY C C 35 170.888 170.888 174.304 -3.416 25973 187 1 1 . 1 1 35 35 GLY H H 35 8.564 8.564 8.226 0.338 25973 188 1 1 . 1 1 36 36 ILE N N 36 116.747 116.747 121.660 -4.913 25973 189 1 1 . 1 1 36 36 ILE H H 36 6.763 6.763 7.470 -0.707 25973 190 1 1 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.368 -0.376 25973 191 1 1 . 1 1 38 38 PRO C C 38 175.657 175.657 177.882 -2.225 25973 192 1 1 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.097 -1.363 25973 193 1 1 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.747 -1.588 25973 194 1 1 . 1 1 39 39 ASP N N 39 113.150 113.150 118.622 -5.472 25973 195 1 1 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.511 -0.106 25973 196 1 1 . 1 1 39 39 ASP C C 39 173.637 173.637 177.074 -3.437 25973 197 1 1 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.163 -4.200 25973 198 1 1 . 1 1 39 39 ASP CB C 39 34.299 34.299 39.880 -5.581 25973 199 1 1 . 1 1 39 39 ASP H H 39 8.758 8.758 8.949 -0.191 25973 200 1 1 . 1 1 40 40 GLN N N 40 118.365 118.365 117.091 1.274 25973 201 1 1 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.781 -0.380 25973 202 1 1 . 1 1 40 40 GLN C C 40 172.173 172.173 174.343 -2.170 25973 203 1 1 . 1 1 40 40 GLN CA C 40 52.926 52.926 54.982 -2.056 25973 204 1 1 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.286 -1.863 25973 205 1 1 . 1 1 40 40 GLN H H 40 7.949 7.949 7.599 0.350 25973 206 1 1 . 1 1 41 41 GLN N N 41 117.813 117.813 119.643 -1.830 25973 207 1 1 . 1 1 41 41 GLN C C 41 172.785 172.785 174.898 -2.113 25973 208 1 1 . 1 1 41 41 GLN H H 41 7.490 7.490 7.233 0.257 25973 209 1 1 . 1 1 42 42 ARG N N 42 115.761 115.761 127.221 -11.460 25973 210 1 1 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.692 -0.265 25973 211 1 1 . 1 1 42 42 ARG C C 42 171.412 171.412 174.255 -2.843 25973 212 1 1 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.160 -2.849 25973 213 1 1 . 1 1 42 42 ARG CB C 42 28.635 28.635 33.523 -4.888 25973 214 1 1 . 1 1 42 42 ARG H H 42 8.631 8.631 9.025 -0.394 25973 215 1 1 . 1 1 43 43 LEU N N 43 124.185 124.185 127.075 -2.890 25973 216 1 1 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.775 0.519 25973 217 1 1 . 1 1 43 43 LEU C C 43 172.374 172.374 176.075 -3.701 25973 218 1 1 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.537 -3.683 25973 219 1 1 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.024 0.090 25973 220 1 1 . 1 1 43 43 LEU H H 43 8.673 8.673 8.675 -0.002 25973 221 1 1 . 1 1 44 44 ILE N N 44 122.386 122.386 124.857 -2.471 25973 222 1 1 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.389 0.530 25973 223 1 1 . 1 1 44 44 ILE C C 44 173.248 173.248 174.482 -1.234 25973 224 1 1 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.380 -3.953 25973 225 1 1 . 1 1 44 44 ILE CB C 44 39.130 39.130 41.777 -2.647 25973 226 1 1 . 1 1 44 44 ILE H H 44 8.970 8.970 9.073 -0.103 25973 227 1 1 . 1 1 45 45 PHE N N 45 125.287 125.287 126.290 -1.003 25973 228 1 1 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.678 0.277 25973 229 1 1 . 1 1 45 45 PHE C C 45 171.645 171.645 173.427 -1.782 25973 230 1 1 . 1 1 45 45 PHE CA C 45 54.395 54.395 58.095 -3.700 25973 231 1 1 . 1 1 45 45 PHE CB C 45 41.282 41.282 40.072 1.210 25973 232 1 1 . 1 1 45 45 PHE H H 45 8.658 8.658 8.803 -0.145 25973 233 1 1 . 1 1 46 46 ALA N N 46 100.596 100.596 120.560 -19.964 25973 234 1 1 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.943 -0.317 25973 235 1 1 . 1 1 46 46 ALA C C 46 174.527 174.527 176.276 -1.749 25973 236 1 1 . 1 1 46 46 ALA CA C 46 49.877 49.877 52.179 -2.302 25973 237 1 1 . 1 1 46 46 ALA CB C 46 13.867 13.867 18.451 -4.585 25973 238 1 1 . 1 1 46 46 ALA H H 46 8.687 8.687 7.698 0.989 25973 239 1 1 . 1 1 47 47 GLY N N 47 102.825 102.825 108.651 -5.826 25973 240 1 1 . 1 1 47 47 GLY C C 47 171.138 171.138 174.813 -3.675 25973 241 1 1 . 1 1 47 47 GLY CA C 47 42.658 42.658 45.583 -2.925 25973 242 1 1 . 1 1 47 47 GLY H H 47 8.193 8.193 8.043 0.150 25973 243 1 1 . 1 1 48 48 LYS N N 48 121.451 121.451 122.518 -1.067 25973 244 1 1 . 1 1 48 48 LYS HA H 48 4.542 4.542 3.897 0.645 25973 245 1 1 . 1 1 48 48 LYS C C 48 171.954 171.954 175.354 -3.400 25973 246 1 1 . 1 1 48 48 LYS CA C 48 51.653 51.653 56.554 -4.901 25973 247 1 1 . 1 1 48 48 LYS CB C 48 31.761 31.761 30.758 1.003 25973 248 1 1 . 1 1 48 48 LYS H H 48 7.888 7.888 8.194 -0.306 25973 249 1 1 . 1 1 49 49 GLN N N 49 121.884 121.884 120.572 1.312 25973 250 1 1 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.255 0.163 25973 251 1 1 . 1 1 49 49 GLN C C 49 173.073 173.073 176.267 -3.194 25973 252 1 1 . 1 1 49 49 GLN CA C 49 52.999 52.999 55.823 -2.824 25973 253 1 1 . 1 1 49 49 GLN CB C 49 26.041 26.041 29.402 -3.361 25973 254 1 1 . 1 1 49 49 GLN H H 49 8.521 8.521 8.213 0.308 25973 255 1 1 . 1 1 50 50 LEU N N 50 125.208 125.208 122.626 2.582 25973 256 1 1 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.048 -0.102 25973 257 1 1 . 1 1 50 50 LEU C C 50 173.823 173.823 176.008 -2.185 25973 258 1 1 . 1 1 50 50 LEU CA C 50 51.582 51.582 55.173 -3.591 25973 259 1 1 . 1 1 50 50 LEU CB C 50 38.906 38.906 40.326 -1.420 25973 260 1 1 . 1 1 50 50 LEU H H 50 8.427 8.427 8.564 -0.137 25973 261 1 1 . 1 1 51 51 GLU N N 51 122.400 122.400 120.736 1.664 25973 262 1 1 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.384 0.040 25973 263 1 1 . 1 1 51 51 GLU C C 51 173.730 173.730 176.831 -3.101 25973 264 1 1 . 1 1 51 51 GLU CA C 51 52.821 52.821 56.047 -3.226 25973 265 1 1 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.724 -3.648 25973 266 1 1 . 1 1 51 51 GLU H H 51 8.333 8.333 8.070 0.263 25973 267 1 1 . 1 1 52 52 ASP N N 52 119.615 119.615 120.797 -1.182 25973 268 1 1 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.488 -0.229 25973 269 1 1 . 1 1 52 52 ASP C C 52 173.507 173.507 176.892 -3.385 25973 270 1 1 . 1 1 52 52 ASP CA C 52 53.536 53.536 55.238 -1.702 25973 271 1 1 . 1 1 52 52 ASP CB C 52 36.441 36.441 41.373 -4.931 25973 272 1 1 . 1 1 52 52 ASP H H 52 8.490 8.490 8.595 -0.105 25973 273 1 1 . 1 1 53 53 GLY N N 53 104.158 104.158 104.414 -0.256 25973 274 1 1 . 1 1 53 53 GLY C C 53 172.296 172.296 174.208 -1.912 25973 275 1 1 . 1 1 53 53 GLY CA C 53 42.633 42.633 44.772 -2.139 25973 276 1 1 . 1 1 53 53 GLY H H 53 8.622 8.622 7.772 0.850 25973 277 1 1 . 1 1 54 54 ARG N N 54 119.010 119.010 120.672 -1.662 25973 278 1 1 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.518 -0.050 25973 279 1 1 . 1 1 54 54 ARG C C 54 172.237 172.237 175.657 -3.420 25973 280 1 1 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.951 -4.204 25973 281 1 1 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.383 -1.811 25973 282 1 1 . 1 1 54 54 ARG H H 54 7.397 7.397 7.944 -0.547 25973 283 1 1 . 1 1 55 55 THR N N 55 106.762 106.762 111.908 -5.146 25973 284 1 1 . 1 1 55 55 THR HA H 55 4.545 4.545 4.686 -0.141 25973 285 1 1 . 1 1 55 55 THR C C 55 173.492 173.492 176.046 -2.554 25973 286 1 1 . 1 1 55 55 THR CA C 55 57.122 57.122 59.850 -2.728 25973 287 1 1 . 1 1 55 55 THR CB C 55 69.087 69.087 71.474 -2.387 25973 288 1 1 . 1 1 55 55 THR H H 55 7.536 7.536 8.100 -0.564 25973 289 1 1 . 1 1 56 56 LEU N N 56 119.096 119.096 121.714 -2.618 25973 290 1 1 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.087 -0.125 25973 291 1 1 . 1 1 56 56 LEU C C 56 178.169 178.169 178.864 -0.695 25973 292 1 1 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.569 -1.293 25973 293 1 1 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.565 -4.320 25973 294 1 1 . 1 1 56 56 LEU H H 56 8.258 8.258 8.478 -0.220 25973 295 1 1 . 1 1 57 57 SER N N 57 113.389 113.389 114.740 -1.351 25973 296 1 1 . 1 1 57 57 SER HA H 57 4.180 4.180 4.186 -0.006 25973 297 1 1 . 1 1 57 57 SER C C 57 175.491 175.491 176.596 -1.105 25973 298 1 1 . 1 1 57 57 SER CA C 57 57.967 57.967 61.238 -3.271 25973 299 1 1 . 1 1 57 57 SER CB C 57 59.730 59.730 62.184 -2.454 25973 300 1 1 . 1 1 57 57 SER H H 57 8.484 8.484 8.270 0.214 25973 301 1 1 . 1 1 58 58 ASP N N 58 122.795 122.795 121.325 1.470 25973 302 1 1 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.497 -0.223 25973 303 1 1 . 1 1 58 58 ASP C C 58 173.529 173.529 177.027 -3.498 25973 304 1 1 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.288 -3.469 25973 305 1 1 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.582 -5.922 25973 306 1 1 . 1 1 58 58 ASP H H 58 7.893 7.893 7.786 0.107 25973 307 1 1 . 1 1 59 59 TYR N N 59 116.135 116.135 117.910 -1.775 25973 308 1 1 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.491 0.132 25973 309 1 1 . 1 1 59 59 TYR C C 59 171.756 171.756 174.721 -2.965 25973 310 1 1 . 1 1 59 59 TYR CA C 59 55.546 55.546 58.776 -3.230 25973 311 1 1 . 1 1 59 59 TYR CB C 59 37.146 37.146 39.359 -2.213 25973 312 1 1 . 1 1 59 59 TYR H H 59 7.243 7.243 7.615 -0.372 25973 313 1 1 . 1 1 60 60 ASN N N 60 115.660 115.660 116.446 -0.786 25973 314 1 1 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.348 -0.067 25973 315 1 1 . 1 1 60 60 ASN C C 60 171.419 171.419 174.574 -3.155 25973 316 1 1 . 1 1 60 60 ASN CA C 60 51.470 51.470 54.208 -2.738 25973 317 1 1 . 1 1 60 60 ASN CB C 60 34.647 34.647 36.159 -1.512 25973 318 1 1 . 1 1 60 60 ASN H H 60 8.108 8.108 8.244 -0.136 25973 319 1 1 . 1 1 61 61 ILE N N 61 118.591 118.591 119.607 -1.016 25973 320 1 1 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.762 -0.503 25973 321 1 1 . 1 1 61 61 ILE C C 61 171.673 171.673 176.025 -4.352 25973 322 1 1 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.742 -3.006 25973 323 1 1 . 1 1 61 61 ILE CB C 61 34.117 34.117 37.644 -3.527 25973 324 1 1 . 1 1 61 61 ILE H H 61 7.031 7.031 8.202 -1.171 25973 325 1 1 . 1 1 62 62 GLN N N 62 125.176 125.176 126.181 -1.005 25973 326 1 1 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.530 -0.062 25973 327 1 1 . 1 1 62 62 GLN C C 62 172.907 172.907 175.218 -2.311 25973 328 1 1 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.689 -3.742 25973 329 1 1 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.432 -1.132 25973 330 1 1 . 1 1 62 62 GLN H H 62 7.645 7.645 8.463 -0.818 25973 331 1 1 . 1 1 63 63 LYS N N 63 120.040 120.040 118.173 1.867 25973 332 1 1 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.118 -0.208 25973 333 1 1 . 1 1 63 63 LYS C C 63 173.589 173.589 176.848 -3.259 25973 334 1 1 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.461 -1.169 25973 335 1 1 . 1 1 63 63 LYS CB C 63 29.920 29.920 33.205 -3.285 25973 336 1 1 . 1 1 63 63 LYS H H 63 8.416 8.416 8.159 0.257 25973 337 1 1 . 1 1 64 64 GLU N N 64 113.699 113.699 116.862 -3.163 25973 338 1 1 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.154 -0.638 25973 339 1 1 . 1 1 64 64 GLU C C 64 172.267 172.267 175.314 -3.047 25973 340 1 1 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.628 -2.913 25973 341 1 1 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.214 -5.413 25973 342 1 1 . 1 1 64 64 GLU H H 64 9.180 9.180 8.558 0.622 25973 343 1 1 . 1 1 65 65 SER N N 65 115.564 115.564 113.879 1.685 25973 344 1 1 . 1 1 65 65 SER HA H 65 4.531 4.531 4.759 -0.228 25973 345 1 1 . 1 1 65 65 SER C C 65 169.375 169.375 174.331 -4.956 25973 346 1 1 . 1 1 65 65 SER CA C 65 58.422 58.422 57.983 0.438 25973 347 1 1 . 1 1 65 65 SER CB C 65 62.153 62.153 65.074 -2.921 25973 348 1 1 . 1 1 65 65 SER H H 65 7.818 7.818 7.910 -0.092 25973 349 1 1 . 1 1 66 66 THR N N 66 117.311 117.311 121.010 -3.699 25973 350 1 1 . 1 1 66 66 THR HA H 66 5.106 5.106 4.585 0.521 25973 351 1 1 . 1 1 66 66 THR C C 66 171.057 171.057 174.138 -3.081 25973 352 1 1 . 1 1 66 66 THR CA C 66 59.814 59.814 62.364 -2.550 25973 353 1 1 . 1 1 66 66 THR CB C 66 67.491 67.491 68.930 -1.439 25973 354 1 1 . 1 1 66 66 THR H H 66 8.704 8.704 8.754 -0.050 25973 355 1 1 . 1 1 67 67 LEU N N 67 127.157 127.157 128.721 -1.564 25973 356 1 1 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.673 0.278 25973 357 1 1 . 1 1 67 67 LEU C C 67 173.090 173.090 175.799 -2.709 25973 358 1 1 . 1 1 67 67 LEU CA C 67 51.708 51.708 54.029 -2.321 25973 359 1 1 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.430 -3.039 25973 360 1 1 . 1 1 67 67 LEU H H 67 9.318 9.318 9.249 0.069 25973 361 1 1 . 1 1 68 68 HIS N N 68 118.227 118.227 122.221 -3.994 25973 362 1 1 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.855 0.315 25973 363 1 1 . 1 1 68 68 HIS C C 68 170.031 170.031 174.400 -4.369 25973 364 1 1 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.268 -3.204 25973 365 1 1 . 1 1 68 68 HIS CB C 68 27.536 27.536 29.805 -2.269 25973 366 1 1 . 1 1 68 68 HIS H H 68 9.141 9.141 9.259 -0.118 25973 367 1 1 . 1 1 69 69 LEU N N 69 124.847 124.847 127.965 -3.118 25973 368 1 1 . 1 1 69 69 LEU HA H 69 5.108 5.108 4.791 0.317 25973 369 1 1 . 1 1 69 69 LEU C C 69 172.304 172.304 175.117 -2.813 25973 370 1 1 . 1 1 69 69 LEU CA C 69 51.646 51.646 54.559 -2.913 25973 371 1 1 . 1 1 69 69 LEU CB C 69 41.603 41.603 43.092 -1.489 25973 372 1 1 . 1 1 69 69 LEU H H 69 8.332 8.332 8.469 -0.137 25973 373 1 1 . 1 1 70 70 VAL N N 70 128.173 128.173 128.356 -0.183 25973 374 1 1 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.413 0.037 25973 375 1 1 . 1 1 70 70 VAL C C 70 177.746 177.746 174.598 3.148 25973 376 1 1 . 1 1 70 70 VAL CA C 70 58.395 58.395 61.231 -2.836 25973 377 1 1 . 1 1 70 70 VAL CB C 70 31.198 31.198 34.203 -3.005 25973 378 1 1 . 1 1 70 70 VAL H H 70 9.159 9.159 9.147 0.012 25973 379 1 1 . 1 1 71 71 LEU N N 71 124.557 124.557 125.409 -0.852 25973 380 1 1 . 1 1 71 71 LEU HA H 71 4.922 4.922 5.048 -0.126 25973 381 1 1 . 1 1 71 71 LEU C C 71 174.917 174.917 176.401 -1.484 25973 382 1 1 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.313 -1.483 25973 383 1 1 . 1 1 71 71 LEU CB C 71 39.997 39.997 42.821 -2.824 25973 384 1 1 . 1 1 71 71 LEU H H 71 8.273 8.273 8.402 -0.129 25973 385 1 1 . 1 1 72 72 ARG N N 72 123.440 123.440 124.214 -0.774 25973 386 1 1 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.574 -0.325 25973 387 1 1 . 1 1 72 72 ARG C C 72 172.657 172.657 175.174 -2.517 25973 388 1 1 . 1 1 72 72 ARG CA C 72 52.746 52.746 54.298 -1.552 25973 389 1 1 . 1 1 72 72 ARG CB C 72 28.058 28.058 30.948 -2.889 25973 390 1 1 . 1 1 72 72 ARG H H 72 8.532 8.532 8.619 -0.087 25973 391 1 1 . 1 1 73 73 LEU N N 73 124.189 124.189 123.516 0.673 25973 392 1 1 . 1 1 73 73 LEU HA H 73 4.271 4.271 3.970 0.301 25973 393 1 1 . 1 1 73 73 LEU C C 73 174.691 174.691 174.755 -0.064 25973 394 1 1 . 1 1 73 73 LEU CA C 73 52.361 52.361 54.720 -2.359 25973 395 1 1 . 1 1 73 73 LEU CB C 73 39.708 39.708 42.443 -2.735 25973 396 1 1 . 1 1 73 73 LEU H H 73 8.289 8.289 8.664 -0.375 25973 397 1 1 . 1 1 74 74 ARG N N 74 121.162 121.162 123.416 -2.254 25973 398 1 1 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.628 -0.381 25973 399 1 1 . 1 1 74 74 ARG C C 74 173.901 173.901 175.723 -1.822 25973 400 1 1 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.395 -1.770 25973 401 1 1 . 1 1 74 74 ARG CB C 74 28.134 28.134 31.400 -3.266 25973 402 1 1 . 1 1 74 74 ARG H H 74 8.268 8.268 8.059 0.209 25973 403 1 1 . 1 1 75 75 GLY N N 75 110.230 110.230 108.850 1.380 25973 404 1 1 . 1 1 75 75 GLY C C 75 171.504 171.504 174.930 -3.426 25973 405 1 1 . 1 1 75 75 GLY CA C 75 42.404 42.404 45.462 -3.058 25973 406 1 1 . 1 1 75 75 GLY H H 75 8.367 8.367 8.847 -0.480 25973 407 1 2 . 1 1 2 2 GLN N N 2 124.960 124.960 120.704 4.256 25973 408 1 2 . 1 1 2 2 GLN HA H 2 5.089 5.089 5.109 -0.020 25973 409 1 2 . 1 1 2 2 GLN C C 2 172.479 172.479 175.439 -2.960 25973 410 1 2 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.494 -2.174 25973 411 1 2 . 1 1 2 2 GLN CB C 2 28.181 28.181 31.331 -3.150 25973 412 1 2 . 1 1 2 2 GLN H H 2 8.807 8.807 8.172 0.635 25973 413 1 2 . 1 1 3 3 ILE N N 3 116.556 116.556 114.587 1.969 25973 414 1 2 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.476 -0.298 25973 415 1 2 . 1 1 3 3 ILE C C 3 169.813 169.813 173.809 -3.996 25973 416 1 2 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.803 -3.182 25973 417 1 2 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.630 -2.525 25973 418 1 2 . 1 1 3 3 ILE H H 3 8.237 8.237 8.385 -0.148 25973 419 1 2 . 1 1 4 4 PHE N N 4 118.417 118.417 117.937 0.480 25973 420 1 2 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.538 -0.039 25973 421 1 2 . 1 1 4 4 PHE C C 4 172.505 172.505 174.969 -2.464 25973 422 1 2 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.174 -3.350 25973 423 1 2 . 1 1 4 4 PHE CB C 4 38.890 38.890 43.383 -4.493 25973 424 1 2 . 1 1 4 4 PHE H H 4 8.675 8.675 9.090 -0.415 25973 425 1 2 . 1 1 5 5 VAL N N 5 120.755 120.755 121.748 -0.993 25973 426 1 2 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.618 -0.031 25973 427 1 2 . 1 1 5 5 VAL C C 5 172.070 172.070 174.661 -2.591 25973 428 1 2 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.276 -3.156 25973 429 1 2 . 1 1 5 5 VAL CB C 5 32.048 32.048 35.074 -3.026 25973 430 1 2 . 1 1 5 5 VAL H H 5 9.190 9.190 9.131 0.059 25973 431 1 2 . 1 1 6 6 LYS N N 6 127.964 127.964 128.645 -0.681 25973 432 1 2 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.660 0.578 25973 433 1 2 . 1 1 6 6 LYS C C 6 174.119 174.119 176.249 -2.130 25973 434 1 2 . 1 1 6 6 LYS CA C 6 51.871 51.871 55.361 -3.490 25973 435 1 2 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.565 -1.897 25973 436 1 2 . 1 1 6 6 LYS H H 6 8.758 8.758 9.194 -0.435 25973 437 1 2 . 1 1 7 7 THR N N 7 115.618 115.618 118.832 -3.214 25973 438 1 2 . 1 1 7 7 THR HA H 7 4.912 4.912 4.614 0.298 25973 439 1 2 . 1 1 7 7 THR C C 7 173.994 173.994 176.509 -2.515 25973 440 1 2 . 1 1 7 7 THR CA C 7 57.844 57.844 60.622 -2.778 25973 441 1 2 . 1 1 7 7 THR CB C 7 68.137 68.137 70.088 -1.951 25973 442 1 2 . 1 1 7 7 THR H H 7 8.573 8.573 8.235 0.338 25973 443 1 2 . 1 1 8 8 LEU N N 8 122.083 122.083 118.969 3.114 25973 444 1 2 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.474 -0.265 25973 445 1 2 . 1 1 8 8 LEU C C 8 176.005 176.005 177.502 -1.497 25973 446 1 2 . 1 1 8 8 LEU CA C 8 55.656 55.656 57.170 -1.514 25973 447 1 2 . 1 1 8 8 LEU CB C 8 39.247 39.247 40.036 -0.789 25973 448 1 2 . 1 1 8 8 LEU H H 8 9.034 9.034 8.715 0.319 25973 449 1 2 . 1 1 9 9 THR N N 9 105.803 105.803 108.529 -2.726 25973 450 1 2 . 1 1 9 9 THR HA H 9 4.503 4.503 4.331 0.172 25973 451 1 2 . 1 1 9 9 THR C C 9 172.624 172.624 175.604 -2.980 25973 452 1 2 . 1 1 9 9 THR CA C 9 58.961 58.961 61.846 -2.885 25973 453 1 2 . 1 1 9 9 THR CB C 9 66.541 66.541 70.083 -3.542 25973 454 1 2 . 1 1 9 9 THR H H 9 7.582 7.582 7.464 0.118 25973 455 1 2 . 1 1 10 10 GLY N N 10 109.254 109.254 110.740 -1.486 25973 456 1 2 . 1 1 10 10 GLY C C 10 171.405 171.405 173.835 -2.430 25973 457 1 2 . 1 1 10 10 GLY CA C 10 42.653 42.653 44.751 -2.098 25973 458 1 2 . 1 1 10 10 GLY H H 10 7.770 7.770 7.498 0.272 25973 459 1 2 . 1 1 11 11 LYS N N 11 121.278 121.278 123.425 -2.147 25973 460 1 2 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.225 0.083 25973 461 1 2 . 1 1 11 11 LYS C C 11 173.489 173.489 175.882 -2.393 25973 462 1 2 . 1 1 11 11 LYS CA C 11 53.385 53.385 57.067 -3.682 25973 463 1 2 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.957 -2.785 25973 464 1 2 . 1 1 11 11 LYS H H 11 7.313 7.313 7.681 -0.368 25973 465 1 2 . 1 1 12 12 THR N N 12 120.644 120.644 121.406 -0.762 25973 466 1 2 . 1 1 12 12 THR HA H 12 4.972 4.972 5.135 -0.163 25973 467 1 2 . 1 1 12 12 THR C C 12 171.547 171.547 174.796 -3.249 25973 468 1 2 . 1 1 12 12 THR CA C 12 59.880 59.880 61.633 -1.753 25973 469 1 2 . 1 1 12 12 THR CB C 12 67.386 67.386 69.321 -1.935 25973 470 1 2 . 1 1 12 12 THR H H 12 8.659 8.659 8.179 0.480 25973 471 1 2 . 1 1 13 13 ILE N N 13 125.497 125.497 126.562 -1.065 25973 472 1 2 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.509 0.029 25973 473 1 2 . 1 1 13 13 ILE C C 13 172.300 172.300 175.284 -2.984 25973 474 1 2 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.150 -3.036 25973 475 1 2 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.319 -0.624 25973 476 1 2 . 1 1 13 13 ILE H H 13 9.169 9.169 8.959 0.210 25973 477 1 2 . 1 1 14 14 THR N N 14 120.078 120.078 123.048 -2.970 25973 478 1 2 . 1 1 14 14 THR HA H 14 4.883 4.883 4.661 0.222 25973 479 1 2 . 1 1 14 14 THR C C 14 170.915 170.915 173.754 -2.839 25973 480 1 2 . 1 1 14 14 THR CA C 14 58.998 58.998 61.294 -2.296 25973 481 1 2 . 1 1 14 14 THR CB C 14 67.221 67.221 69.433 -2.212 25973 482 1 2 . 1 1 14 14 THR H H 14 8.596 8.596 8.389 0.207 25973 483 1 2 . 1 1 15 15 LEU N N 15 124.381 124.381 127.771 -3.390 25973 484 1 2 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.698 0.058 25973 485 1 2 . 1 1 15 15 LEU C C 15 172.377 172.377 175.200 -2.823 25973 486 1 2 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.320 -3.319 25973 487 1 2 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.559 -1.438 25973 488 1 2 . 1 1 15 15 LEU H H 15 8.706 8.706 8.079 0.627 25973 489 1 2 . 1 1 16 16 GLU N N 16 122.156 122.156 121.678 0.478 25973 490 1 2 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.409 0.443 25973 491 1 2 . 1 1 16 16 GLU C C 16 172.785 172.785 175.221 -2.436 25973 492 1 2 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.651 -3.934 25973 493 1 2 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.310 -5.078 25973 494 1 2 . 1 1 16 16 GLU H H 16 8.259 8.259 8.455 -0.196 25973 495 1 2 . 1 1 17 17 VAL N N 17 115.706 115.706 118.300 -2.594 25973 496 1 2 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.532 0.101 25973 497 1 2 . 1 1 17 17 VAL C C 17 171.495 171.495 174.414 -2.919 25973 498 1 2 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.697 -4.030 25973 499 1 2 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.872 -1.657 25973 500 1 2 . 1 1 17 17 VAL H H 17 8.631 8.631 8.097 0.534 25973 501 1 2 . 1 1 18 18 GLU N N 18 117.702 117.702 119.887 -2.185 25973 502 1 2 . 1 1 18 18 GLU H H 18 7.705 7.705 8.623 -0.918 25973 503 1 2 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.407 -0.370 25973 504 1 2 . 1 1 19 19 PRO C C 19 172.411 172.411 176.813 -4.402 25973 505 1 2 . 1 1 19 19 PRO CA C 19 62.565 62.565 64.327 -1.762 25973 506 1 2 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.108 -2.754 25973 507 1 2 . 1 1 20 20 SER N N 20 104.376 104.376 111.796 -7.420 25973 508 1 2 . 1 1 20 20 SER HA H 20 4.270 4.270 4.406 -0.136 25973 509 1 2 . 1 1 20 20 SER C C 20 172.006 172.006 174.334 -2.328 25973 510 1 2 . 1 1 20 20 SER CA C 20 54.697 54.697 58.130 -3.433 25973 511 1 2 . 1 1 20 20 SER CB C 20 60.491 60.491 63.272 -2.781 25973 512 1 2 . 1 1 20 20 SER H H 20 7.127 7.127 7.844 -0.717 25973 513 1 2 . 1 1 21 21 ASP N N 21 121.646 121.646 122.854 -1.208 25973 514 1 2 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.744 -0.030 25973 515 1 2 . 1 1 21 21 ASP C C 21 172.786 172.786 175.850 -3.064 25973 516 1 2 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.036 -2.600 25973 517 1 2 . 1 1 21 21 ASP CB C 21 36.288 36.288 43.362 -7.074 25973 518 1 2 . 1 1 21 21 ASP H H 21 7.890 7.890 7.602 0.288 25973 519 1 2 . 1 1 22 22 THR N N 22 109.295 109.295 111.800 -2.505 25973 520 1 2 . 1 1 22 22 THR HA H 22 4.833 4.833 4.486 0.347 25973 521 1 2 . 1 1 22 22 THR C C 22 173.653 173.653 176.119 -2.466 25973 522 1 2 . 1 1 22 22 THR CA C 22 57.439 57.439 60.648 -3.209 25973 523 1 2 . 1 1 22 22 THR CB C 22 68.925 68.925 70.314 -1.389 25973 524 1 2 . 1 1 22 22 THR H H 22 8.202 8.202 8.255 -0.053 25973 525 1 2 . 1 1 23 23 ILE N N 23 121.424 121.424 123.202 -1.778 25973 526 1 2 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.679 -0.083 25973 527 1 2 . 1 1 23 23 ILE C C 23 176.250 176.250 177.392 -1.142 25973 528 1 2 . 1 1 23 23 ILE CA C 23 59.208 59.208 63.853 -4.645 25973 529 1 2 . 1 1 23 23 ILE CB C 23 31.692 31.692 37.350 -5.658 25973 530 1 2 . 1 1 23 23 ILE H H 23 8.450 8.450 8.726 -0.276 25973 531 1 2 . 1 1 24 24 GLU N N 24 120.359 120.359 120.288 0.071 25973 532 1 2 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.944 -0.130 25973 533 1 2 . 1 1 24 24 GLU C C 24 175.008 175.008 178.844 -3.836 25973 534 1 2 . 1 1 24 24 GLU CA C 24 56.671 56.671 59.761 -3.090 25973 535 1 2 . 1 1 24 24 GLU CB C 24 25.586 25.586 28.974 -3.388 25973 536 1 2 . 1 1 24 24 GLU H H 24 8.802 8.802 8.382 0.420 25973 537 1 2 . 1 1 25 25 ASN N N 25 119.035 119.035 118.162 0.873 25973 538 1 2 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.493 -0.100 25973 539 1 2 . 1 1 25 25 ASN C C 25 175.438 175.438 177.236 -1.798 25973 540 1 2 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.180 -2.525 25973 541 1 2 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.042 -1.774 25973 542 1 2 . 1 1 25 25 ASN H H 25 7.928 7.928 8.374 -0.446 25973 543 1 2 . 1 1 26 26 ALA N N 26 122.272 122.272 122.431 -0.159 25973 544 1 2 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.931 -0.120 25973 545 1 2 . 1 1 26 26 ALA C C 26 176.256 176.256 179.319 -3.063 25973 546 1 2 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.089 -2.043 25973 547 1 2 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.316 -5.062 25973 548 1 2 . 1 1 26 26 ALA H H 26 7.949 7.949 7.799 0.150 25973 549 1 2 . 1 1 27 27 LYS N N 27 117.069 117.069 118.826 -1.757 25973 550 1 2 . 1 1 27 27 LYS H H 27 8.469 8.469 7.518 0.951 25973 551 1 2 . 1 1 28 28 ALA HA H 28 4.069 4.069 3.946 0.123 25973 552 1 2 . 1 1 28 28 ALA C C 28 177.699 177.699 179.199 -1.500 25973 553 1 2 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.298 -2.732 25973 554 1 2 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.283 -3.330 25973 555 1 2 . 1 1 29 29 LYS N N 29 119.644 119.644 119.343 0.301 25973 556 1 2 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.974 0.127 25973 557 1 2 . 1 1 29 29 LYS C C 29 177.487 177.487 179.028 -1.541 25973 558 1 2 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.490 -2.665 25973 559 1 2 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.408 -2.186 25973 560 1 2 . 1 1 29 29 LYS H H 29 7.726 7.726 7.834 -0.108 25973 561 1 2 . 1 1 30 30 ILE N N 30 121.905 121.905 119.504 2.401 25973 562 1 2 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.676 0.506 25973 563 1 2 . 1 1 30 30 ILE C C 30 175.724 175.724 177.438 -1.714 25973 564 1 2 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.431 -1.886 25973 565 1 2 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.993 -3.788 25973 566 1 2 . 1 1 30 30 ILE H H 30 8.206 8.206 7.577 0.629 25973 567 1 2 . 1 1 31 31 GLN N N 31 123.624 123.624 121.134 2.490 25973 568 1 2 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.077 -0.341 25973 569 1 2 . 1 1 31 31 GLN C C 31 176.118 176.118 178.195 -2.077 25973 570 1 2 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.092 -1.994 25973 571 1 2 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.546 -2.996 25973 572 1 2 . 1 1 31 31 GLN H H 31 8.597 8.597 7.890 0.707 25973 573 1 2 . 1 1 32 32 ASP N N 32 118.441 118.441 118.415 0.026 25973 574 1 2 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.481 -0.167 25973 575 1 2 . 1 1 32 32 ASP C C 32 173.568 173.568 177.843 -4.275 25973 576 1 2 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.332 -2.968 25973 577 1 2 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.920 -5.767 25973 578 1 2 . 1 1 32 32 ASP H H 32 7.994 7.994 8.025 -0.031 25973 579 1 2 . 1 1 33 33 LYS N N 33 115.568 115.568 118.639 -3.071 25973 580 1 2 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.306 -0.011 25973 581 1 2 . 1 1 33 33 LYS C C 33 174.935 174.935 177.933 -2.998 25973 582 1 2 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.707 -2.276 25973 583 1 2 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.624 -1.811 25973 584 1 2 . 1 1 33 33 LYS H H 33 7.383 7.383 7.606 -0.223 25973 585 1 2 . 1 1 34 34 GLU N N 34 113.069 113.069 116.103 -3.034 25973 586 1 2 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.447 0.172 25973 587 1 2 . 1 1 34 34 GLU C C 34 174.551 174.551 177.421 -2.870 25973 588 1 2 . 1 1 34 34 GLU CA C 34 52.222 52.222 55.929 -3.707 25973 589 1 2 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.112 -1.199 25973 590 1 2 . 1 1 34 34 GLU H H 34 8.697 8.697 8.397 0.300 25973 591 1 2 . 1 1 35 35 GLY N N 35 108.734 108.734 109.200 -0.466 25973 592 1 2 . 1 1 35 35 GLY C C 35 170.888 170.888 174.338 -3.450 25973 593 1 2 . 1 1 35 35 GLY H H 35 8.564 8.564 8.228 0.336 25973 594 1 2 . 1 1 36 36 ILE N N 36 116.747 116.747 121.598 -4.851 25973 595 1 2 . 1 1 36 36 ILE H H 36 6.763 6.763 7.453 -0.690 25973 596 1 2 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.247 -0.255 25973 597 1 2 . 1 1 38 38 PRO C C 38 175.657 175.657 177.790 -2.133 25973 598 1 2 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.307 -1.573 25973 599 1 2 . 1 1 38 38 PRO CB C 38 30.159 30.159 32.127 -1.968 25973 600 1 2 . 1 1 39 39 ASP N N 39 113.150 113.150 116.764 -3.614 25973 601 1 2 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.378 0.027 25973 602 1 2 . 1 1 39 39 ASP C C 39 173.637 173.637 176.258 -2.621 25973 603 1 2 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.026 -4.063 25973 604 1 2 . 1 1 39 39 ASP CB C 39 34.299 34.299 39.504 -5.205 25973 605 1 2 . 1 1 39 39 ASP H H 39 8.758 8.758 8.742 0.016 25973 606 1 2 . 1 1 40 40 GLN N N 40 118.365 118.365 117.557 0.808 25973 607 1 2 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.473 -0.072 25973 608 1 2 . 1 1 40 40 GLN C C 40 172.173 172.173 174.509 -2.336 25973 609 1 2 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.350 -2.424 25973 610 1 2 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.215 -1.792 25973 611 1 2 . 1 1 40 40 GLN H H 40 7.949 7.949 7.600 0.349 25973 612 1 2 . 1 1 41 41 GLN N N 41 117.813 117.813 119.171 -1.358 25973 613 1 2 . 1 1 41 41 GLN C C 41 172.785 172.785 174.936 -2.151 25973 614 1 2 . 1 1 41 41 GLN H H 41 7.490 7.490 7.727 -0.237 25973 615 1 2 . 1 1 42 42 ARG N N 42 115.761 115.761 124.098 -8.337 25973 616 1 2 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.656 -0.229 25973 617 1 2 . 1 1 42 42 ARG C C 42 171.412 171.412 173.888 -2.476 25973 618 1 2 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.044 -2.732 25973 619 1 2 . 1 1 42 42 ARG CB C 42 28.635 28.635 33.119 -4.484 25973 620 1 2 . 1 1 42 42 ARG H H 42 8.631 8.631 8.297 0.334 25973 621 1 2 . 1 1 43 43 LEU N N 43 124.185 124.185 127.406 -3.221 25973 622 1 2 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.924 0.370 25973 623 1 2 . 1 1 43 43 LEU C C 43 172.374 172.374 176.087 -3.713 25973 624 1 2 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.328 -3.474 25973 625 1 2 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.477 -0.363 25973 626 1 2 . 1 1 43 43 LEU H H 43 8.673 8.673 8.630 0.043 25973 627 1 2 . 1 1 44 44 ILE N N 44 122.386 122.386 125.208 -2.822 25973 628 1 2 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.457 0.462 25973 629 1 2 . 1 1 44 44 ILE C C 44 173.248 173.248 174.395 -1.147 25973 630 1 2 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.883 -4.456 25973 631 1 2 . 1 1 44 44 ILE CB C 44 39.130 39.130 42.136 -3.006 25973 632 1 2 . 1 1 44 44 ILE H H 44 8.970 8.970 8.752 0.218 25973 633 1 2 . 1 1 45 45 PHE N N 45 125.287 125.287 127.008 -1.721 25973 634 1 2 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.841 0.114 25973 635 1 2 . 1 1 45 45 PHE C C 45 171.645 171.645 174.886 -3.241 25973 636 1 2 . 1 1 45 45 PHE CA C 45 54.395 54.395 57.700 -3.305 25973 637 1 2 . 1 1 45 45 PHE CB C 45 41.282 41.282 39.665 1.617 25973 638 1 2 . 1 1 45 45 PHE H H 45 8.658 8.658 8.660 -0.002 25973 639 1 2 . 1 1 46 46 ALA N N 46 100.596 100.596 123.299 -22.703 25973 640 1 2 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.810 -0.184 25973 641 1 2 . 1 1 46 46 ALA C C 46 174.527 174.527 176.913 -2.386 25973 642 1 2 . 1 1 46 46 ALA CA C 46 49.877 49.877 53.212 -3.335 25973 643 1 2 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.673 -3.806 25973 644 1 2 . 1 1 46 46 ALA H H 46 8.687 8.687 8.147 0.540 25973 645 1 2 . 1 1 47 47 GLY N N 47 102.825 102.825 103.437 -0.612 25973 646 1 2 . 1 1 47 47 GLY C C 47 171.138 171.138 174.873 -3.735 25973 647 1 2 . 1 1 47 47 GLY CA C 47 42.658 42.658 44.086 -1.428 25973 648 1 2 . 1 1 47 47 GLY H H 47 8.193 8.193 8.380 -0.187 25973 649 1 2 . 1 1 48 48 LYS N N 48 121.451 121.451 118.340 3.111 25973 650 1 2 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.368 0.174 25973 651 1 2 . 1 1 48 48 LYS C C 48 171.954 171.954 177.368 -5.414 25973 652 1 2 . 1 1 48 48 LYS CA C 48 51.653 51.653 56.996 -5.343 25973 653 1 2 . 1 1 48 48 LYS CB C 48 31.761 31.761 32.711 -0.950 25973 654 1 2 . 1 1 48 48 LYS H H 48 7.888 7.888 7.500 0.388 25973 655 1 2 . 1 1 49 49 GLN N N 49 121.884 121.884 118.423 3.461 25973 656 1 2 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.282 0.136 25973 657 1 2 . 1 1 49 49 GLN C C 49 173.073 173.073 175.437 -2.364 25973 658 1 2 . 1 1 49 49 GLN CA C 49 52.999 52.999 55.601 -2.602 25973 659 1 2 . 1 1 49 49 GLN CB C 49 26.041 26.041 28.860 -2.819 25973 660 1 2 . 1 1 49 49 GLN H H 49 8.521 8.521 8.294 0.227 25973 661 1 2 . 1 1 50 50 LEU N N 50 125.208 125.208 120.614 4.594 25973 662 1 2 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.470 -0.524 25973 663 1 2 . 1 1 50 50 LEU C C 50 173.823 173.823 176.901 -3.078 25973 664 1 2 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.063 -2.481 25973 665 1 2 . 1 1 50 50 LEU CB C 50 38.906 38.906 42.703 -3.797 25973 666 1 2 . 1 1 50 50 LEU H H 50 8.427 8.427 7.339 1.088 25973 667 1 2 . 1 1 51 51 GLU N N 51 122.400 122.400 121.261 1.139 25973 668 1 2 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.341 0.083 25973 669 1 2 . 1 1 51 51 GLU C C 51 173.730 173.730 177.559 -3.829 25973 670 1 2 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.969 -3.148 25973 671 1 2 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.612 -3.536 25973 672 1 2 . 1 1 51 51 GLU H H 51 8.333 8.333 8.426 -0.093 25973 673 1 2 . 1 1 52 52 ASP N N 52 119.615 119.615 121.842 -2.227 25973 674 1 2 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.394 -0.135 25973 675 1 2 . 1 1 52 52 ASP C C 52 173.507 173.507 177.684 -4.177 25973 676 1 2 . 1 1 52 52 ASP CA C 52 53.536 53.536 56.466 -2.930 25973 677 1 2 . 1 1 52 52 ASP CB C 52 36.441 36.441 40.864 -4.423 25973 678 1 2 . 1 1 52 52 ASP H H 52 8.490 8.490 8.719 -0.229 25973 679 1 2 . 1 1 53 53 GLY N N 53 104.158 104.158 107.134 -2.976 25973 680 1 2 . 1 1 53 53 GLY C C 53 172.296 172.296 175.107 -2.811 25973 681 1 2 . 1 1 53 53 GLY CA C 53 42.633 42.633 45.889 -3.256 25973 682 1 2 . 1 1 53 53 GLY H H 53 8.622 8.622 8.103 0.519 25973 683 1 2 . 1 1 54 54 ARG N N 54 119.010 119.010 120.855 -1.845 25973 684 1 2 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.667 -0.199 25973 685 1 2 . 1 1 54 54 ARG C C 54 172.237 172.237 175.377 -3.140 25973 686 1 2 . 1 1 54 54 ARG CA C 54 51.747 51.747 54.364 -2.617 25973 687 1 2 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.429 -1.857 25973 688 1 2 . 1 1 54 54 ARG H H 54 7.397 7.397 7.801 -0.404 25973 689 1 2 . 1 1 55 55 THR N N 55 106.762 106.762 111.380 -4.618 25973 690 1 2 . 1 1 55 55 THR HA H 55 4.545 4.545 4.641 -0.096 25973 691 1 2 . 1 1 55 55 THR C C 55 173.492 173.492 175.613 -2.121 25973 692 1 2 . 1 1 55 55 THR CA C 55 57.122 57.122 60.104 -2.982 25973 693 1 2 . 1 1 55 55 THR CB C 55 69.087 69.087 71.056 -1.969 25973 694 1 2 . 1 1 55 55 THR H H 55 7.536 7.536 8.105 -0.569 25973 695 1 2 . 1 1 56 56 LEU N N 56 119.096 119.096 120.533 -1.437 25973 696 1 2 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.178 -0.216 25973 697 1 2 . 1 1 56 56 LEU C C 56 178.169 178.169 179.192 -1.023 25973 698 1 2 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.215 -0.939 25973 699 1 2 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.655 -4.410 25973 700 1 2 . 1 1 56 56 LEU H H 56 8.258 8.258 8.311 -0.053 25973 701 1 2 . 1 1 57 57 SER N N 57 113.389 113.389 114.944 -1.555 25973 702 1 2 . 1 1 57 57 SER HA H 57 4.180 4.180 4.176 0.004 25973 703 1 2 . 1 1 57 57 SER C C 57 175.491 175.491 176.327 -0.836 25973 704 1 2 . 1 1 57 57 SER CA C 57 57.967 57.967 61.228 -3.261 25973 705 1 2 . 1 1 57 57 SER CB C 57 59.730 59.730 62.439 -2.709 25973 706 1 2 . 1 1 57 57 SER H H 57 8.484 8.484 8.402 0.082 25973 707 1 2 . 1 1 58 58 ASP N N 58 122.795 122.795 122.175 0.620 25973 708 1 2 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.481 -0.207 25973 709 1 2 . 1 1 58 58 ASP C C 58 173.529 173.529 177.255 -3.726 25973 710 1 2 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.471 -3.652 25973 711 1 2 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.901 -6.241 25973 712 1 2 . 1 1 58 58 ASP H H 58 7.893 7.893 7.764 0.129 25973 713 1 2 . 1 1 59 59 TYR N N 59 116.135 116.135 117.584 -1.449 25973 714 1 2 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.511 0.112 25973 715 1 2 . 1 1 59 59 TYR C C 59 171.756 171.756 174.670 -2.914 25973 716 1 2 . 1 1 59 59 TYR CA C 59 55.546 55.546 58.973 -3.427 25973 717 1 2 . 1 1 59 59 TYR CB C 59 37.146 37.146 38.974 -1.828 25973 718 1 2 . 1 1 59 59 TYR H H 59 7.243 7.243 7.524 -0.281 25973 719 1 2 . 1 1 60 60 ASN N N 60 115.660 115.660 115.983 -0.323 25973 720 1 2 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.351 -0.070 25973 721 1 2 . 1 1 60 60 ASN C C 60 171.419 171.419 174.461 -3.042 25973 722 1 2 . 1 1 60 60 ASN CA C 60 51.470 51.470 53.711 -2.241 25973 723 1 2 . 1 1 60 60 ASN CB C 60 34.647 34.647 36.581 -1.934 25973 724 1 2 . 1 1 60 60 ASN H H 60 8.108 8.108 8.145 -0.037 25973 725 1 2 . 1 1 61 61 ILE N N 61 118.591 118.591 118.906 -0.315 25973 726 1 2 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.715 -0.456 25973 727 1 2 . 1 1 61 61 ILE C C 61 171.673 171.673 176.427 -4.754 25973 728 1 2 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.122 -2.385 25973 729 1 2 . 1 1 61 61 ILE CB C 61 34.117 34.117 36.510 -2.393 25973 730 1 2 . 1 1 61 61 ILE H H 61 7.031 7.031 8.195 -1.164 25973 731 1 2 . 1 1 62 62 GLN N N 62 125.176 125.176 125.989 -0.813 25973 732 1 2 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.533 -0.065 25973 733 1 2 . 1 1 62 62 GLN C C 62 172.907 172.907 175.531 -2.624 25973 734 1 2 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.758 -3.811 25973 735 1 2 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.628 -1.328 25973 736 1 2 . 1 1 62 62 GLN H H 62 7.645 7.645 8.414 -0.769 25973 737 1 2 . 1 1 63 63 LYS N N 63 120.040 120.040 118.206 1.834 25973 738 1 2 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.247 -0.337 25973 739 1 2 . 1 1 63 63 LYS C C 63 173.589 173.589 176.846 -3.257 25973 740 1 2 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.242 -0.950 25973 741 1 2 . 1 1 63 63 LYS CB C 63 29.920 29.920 33.489 -3.570 25973 742 1 2 . 1 1 63 63 LYS H H 63 8.416 8.416 8.172 0.244 25973 743 1 2 . 1 1 64 64 GLU N N 64 113.699 113.699 115.656 -1.957 25973 744 1 2 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.273 -0.757 25973 745 1 2 . 1 1 64 64 GLU C C 64 172.267 172.267 175.812 -3.545 25973 746 1 2 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.985 -3.270 25973 747 1 2 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.104 -5.303 25973 748 1 2 . 1 1 64 64 GLU H H 64 9.180 9.180 8.671 0.509 25973 749 1 2 . 1 1 65 65 SER N N 65 115.564 115.564 113.947 1.617 25973 750 1 2 . 1 1 65 65 SER HA H 65 4.531 4.531 4.707 -0.176 25973 751 1 2 . 1 1 65 65 SER C C 65 169.375 169.375 173.942 -4.567 25973 752 1 2 . 1 1 65 65 SER CA C 65 58.422 58.422 58.670 -0.248 25973 753 1 2 . 1 1 65 65 SER CB C 65 62.153 62.153 64.797 -2.644 25973 754 1 2 . 1 1 65 65 SER H H 65 7.818 7.818 7.677 0.141 25973 755 1 2 . 1 1 66 66 THR N N 66 117.311 117.311 119.659 -2.348 25973 756 1 2 . 1 1 66 66 THR HA H 66 5.106 5.106 4.891 0.215 25973 757 1 2 . 1 1 66 66 THR C C 66 171.057 171.057 173.978 -2.921 25973 758 1 2 . 1 1 66 66 THR CA C 66 59.814 59.814 61.753 -1.939 25973 759 1 2 . 1 1 66 66 THR CB C 66 67.491 67.491 69.725 -2.234 25973 760 1 2 . 1 1 66 66 THR H H 66 8.704 8.704 8.610 0.094 25973 761 1 2 . 1 1 67 67 LEU N N 67 127.157 127.157 128.224 -1.067 25973 762 1 2 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.746 0.205 25973 763 1 2 . 1 1 67 67 LEU C C 67 173.090 173.090 175.523 -2.433 25973 764 1 2 . 1 1 67 67 LEU CA C 67 51.708 51.708 53.991 -2.283 25973 765 1 2 . 1 1 67 67 LEU CB C 67 41.391 41.391 45.066 -3.675 25973 766 1 2 . 1 1 67 67 LEU H H 67 9.318 9.318 9.155 0.163 25973 767 1 2 . 1 1 68 68 HIS N N 68 118.227 118.227 120.877 -2.650 25973 768 1 2 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.813 0.357 25973 769 1 2 . 1 1 68 68 HIS C C 68 170.031 170.031 174.178 -4.147 25973 770 1 2 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.965 -3.901 25973 771 1 2 . 1 1 68 68 HIS CB C 68 27.536 27.536 30.300 -2.764 25973 772 1 2 . 1 1 68 68 HIS H H 68 9.141 9.141 8.969 0.172 25973 773 1 2 . 1 1 69 69 LEU N N 69 124.847 124.847 128.214 -3.367 25973 774 1 2 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.239 -0.131 25973 775 1 2 . 1 1 69 69 LEU C C 69 172.304 172.304 174.929 -2.625 25973 776 1 2 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.819 -2.172 25973 777 1 2 . 1 1 69 69 LEU CB C 69 41.603 41.603 43.423 -1.820 25973 778 1 2 . 1 1 69 69 LEU H H 69 8.332 8.332 8.351 -0.019 25973 779 1 2 . 1 1 70 70 VAL N N 70 128.173 128.173 127.250 0.923 25973 780 1 2 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.477 -0.027 25973 781 1 2 . 1 1 70 70 VAL C C 70 177.746 177.746 174.266 3.480 25973 782 1 2 . 1 1 70 70 VAL CA C 70 58.395 58.395 60.034 -1.639 25973 783 1 2 . 1 1 70 70 VAL CB C 70 31.198 31.198 35.283 -4.085 25973 784 1 2 . 1 1 70 70 VAL H H 70 9.159 9.159 8.862 0.297 25973 785 1 2 . 1 1 71 71 LEU N N 71 124.557 124.557 123.544 1.013 25973 786 1 2 . 1 1 71 71 LEU HA H 71 4.922 4.922 5.025 -0.103 25973 787 1 2 . 1 1 71 71 LEU C C 71 174.917 174.917 177.052 -2.135 25973 788 1 2 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.075 -1.245 25973 789 1 2 . 1 1 71 71 LEU CB C 71 39.997 39.997 43.370 -3.373 25973 790 1 2 . 1 1 71 71 LEU H H 71 8.273 8.273 8.346 -0.073 25973 791 1 2 . 1 1 72 72 ARG N N 72 123.440 123.440 124.197 -0.757 25973 792 1 2 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.475 -0.226 25973 793 1 2 . 1 1 72 72 ARG C C 72 172.657 172.657 175.280 -2.623 25973 794 1 2 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.575 -2.829 25973 795 1 2 . 1 1 72 72 ARG CB C 72 28.058 28.058 29.422 -1.364 25973 796 1 2 . 1 1 72 72 ARG H H 72 8.532 8.532 8.412 0.120 25973 797 1 2 . 1 1 73 73 LEU N N 73 124.189 124.189 126.160 -1.971 25973 798 1 2 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.407 -0.136 25973 799 1 2 . 1 1 73 73 LEU C C 73 174.691 174.691 175.253 -0.562 25973 800 1 2 . 1 1 73 73 LEU CA C 73 52.361 52.361 55.748 -3.387 25973 801 1 2 . 1 1 73 73 LEU CB C 73 39.708 39.708 43.578 -3.870 25973 802 1 2 . 1 1 73 73 LEU H H 73 8.289 8.289 8.241 0.048 25973 803 1 2 . 1 1 74 74 ARG N N 74 121.162 121.162 123.924 -2.762 25973 804 1 2 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.834 -0.587 25973 805 1 2 . 1 1 74 74 ARG C C 74 173.901 173.901 175.833 -1.932 25973 806 1 2 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.381 -1.756 25973 807 1 2 . 1 1 74 74 ARG CB C 74 28.134 28.134 31.675 -3.541 25973 808 1 2 . 1 1 74 74 ARG H H 74 8.268 8.268 8.408 -0.140 25973 809 1 2 . 1 1 75 75 GLY N N 75 110.230 110.230 109.658 0.572 25973 810 1 2 . 1 1 75 75 GLY C C 75 171.504 171.504 174.123 -2.619 25973 811 1 2 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.604 -2.200 25973 812 1 2 . 1 1 75 75 GLY H H 75 8.367 8.367 8.493 -0.126 25973 813 1 3 . 1 1 2 2 GLN N N 2 124.960 124.960 119.987 4.973 25973 814 1 3 . 1 1 2 2 GLN HA H 2 5.089 5.089 5.100 -0.011 25973 815 1 3 . 1 1 2 2 GLN C C 2 172.479 172.479 175.195 -2.716 25973 816 1 3 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.626 -2.306 25973 817 1 3 . 1 1 2 2 GLN CB C 2 28.181 28.181 30.803 -2.622 25973 818 1 3 . 1 1 2 2 GLN H H 2 8.807 8.807 7.906 0.901 25973 819 1 3 . 1 1 3 3 ILE N N 3 116.556 116.556 114.571 1.985 25973 820 1 3 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.384 -0.206 25973 821 1 3 . 1 1 3 3 ILE C C 3 169.813 169.813 173.796 -3.983 25973 822 1 3 . 1 1 3 3 ILE CA C 3 56.621 56.621 60.095 -3.474 25973 823 1 3 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.476 -2.371 25973 824 1 3 . 1 1 3 3 ILE H H 3 8.237 8.237 8.460 -0.223 25973 825 1 3 . 1 1 4 4 PHE N N 4 118.417 118.417 119.380 -0.963 25973 826 1 3 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.536 -0.037 25973 827 1 3 . 1 1 4 4 PHE C C 4 172.505 172.505 175.197 -2.692 25973 828 1 3 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.181 -3.357 25973 829 1 3 . 1 1 4 4 PHE CB C 4 38.890 38.890 42.407 -3.517 25973 830 1 3 . 1 1 4 4 PHE H H 4 8.675 8.675 8.743 -0.068 25973 831 1 3 . 1 1 5 5 VAL N N 5 120.755 120.755 122.732 -1.977 25973 832 1 3 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.608 -0.021 25973 833 1 3 . 1 1 5 5 VAL C C 5 172.070 172.070 175.004 -2.934 25973 834 1 3 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.094 -2.974 25973 835 1 3 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.201 -2.153 25973 836 1 3 . 1 1 5 5 VAL H H 5 9.190 9.190 9.024 0.166 25973 837 1 3 . 1 1 6 6 LYS N N 6 127.964 127.964 128.724 -0.760 25973 838 1 3 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.697 0.541 25973 839 1 3 . 1 1 6 6 LYS C C 6 174.119 174.119 175.650 -1.531 25973 840 1 3 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.648 -2.777 25973 841 1 3 . 1 1 6 6 LYS CB C 6 32.668 32.668 33.882 -1.214 25973 842 1 3 . 1 1 6 6 LYS H H 6 8.758 8.758 9.178 -0.420 25973 843 1 3 . 1 1 7 7 THR N N 7 115.618 115.618 115.025 0.593 25973 844 1 3 . 1 1 7 7 THR HA H 7 4.912 4.912 4.997 -0.085 25973 845 1 3 . 1 1 7 7 THR C C 7 173.994 173.994 176.681 -2.687 25973 846 1 3 . 1 1 7 7 THR CA C 7 57.844 57.844 59.209 -1.365 25973 847 1 3 . 1 1 7 7 THR CB C 7 68.137 68.137 71.611 -3.474 25973 848 1 3 . 1 1 7 7 THR H H 7 8.573 8.573 8.102 0.471 25973 849 1 3 . 1 1 8 8 LEU N N 8 122.083 122.083 120.726 1.357 25973 850 1 3 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.243 -0.034 25973 851 1 3 . 1 1 8 8 LEU C C 8 176.005 176.005 178.023 -2.018 25973 852 1 3 . 1 1 8 8 LEU CA C 8 55.656 55.656 57.459 -1.802 25973 853 1 3 . 1 1 8 8 LEU CB C 8 39.247 39.247 40.859 -1.612 25973 854 1 3 . 1 1 8 8 LEU H H 8 9.034 9.034 9.012 0.022 25973 855 1 3 . 1 1 9 9 THR N N 9 105.803 105.803 108.337 -2.534 25973 856 1 3 . 1 1 9 9 THR HA H 9 4.503 4.503 4.394 0.109 25973 857 1 3 . 1 1 9 9 THR C C 9 172.624 172.624 176.296 -3.672 25973 858 1 3 . 1 1 9 9 THR CA C 9 58.961 58.961 61.666 -2.705 25973 859 1 3 . 1 1 9 9 THR CB C 9 66.541 66.541 69.523 -2.982 25973 860 1 3 . 1 1 9 9 THR H H 9 7.582 7.582 7.610 -0.028 25973 861 1 3 . 1 1 10 10 GLY N N 10 109.254 109.254 111.938 -2.684 25973 862 1 3 . 1 1 10 10 GLY C C 10 171.405 171.405 174.444 -3.039 25973 863 1 3 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.632 -2.979 25973 864 1 3 . 1 1 10 10 GLY H H 10 7.770 7.770 8.333 -0.563 25973 865 1 3 . 1 1 11 11 LYS N N 11 121.278 121.278 123.731 -2.453 25973 866 1 3 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.091 0.217 25973 867 1 3 . 1 1 11 11 LYS C C 11 173.489 173.489 175.872 -2.383 25973 868 1 3 . 1 1 11 11 LYS CA C 11 53.385 53.385 56.681 -3.296 25973 869 1 3 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.517 -2.345 25973 870 1 3 . 1 1 11 11 LYS H H 11 7.313 7.313 7.386 -0.073 25973 871 1 3 . 1 1 12 12 THR N N 12 120.644 120.644 120.042 0.602 25973 872 1 3 . 1 1 12 12 THR HA H 12 4.972 4.972 4.891 0.081 25973 873 1 3 . 1 1 12 12 THR C C 12 171.547 171.547 174.516 -2.969 25973 874 1 3 . 1 1 12 12 THR CA C 12 59.880 59.880 61.983 -2.103 25973 875 1 3 . 1 1 12 12 THR CB C 12 67.386 67.386 69.289 -1.903 25973 876 1 3 . 1 1 12 12 THR H H 12 8.659 8.659 8.180 0.479 25973 877 1 3 . 1 1 13 13 ILE N N 13 125.497 125.497 127.415 -1.918 25973 878 1 3 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.507 0.031 25973 879 1 3 . 1 1 13 13 ILE C C 13 172.300 172.300 175.445 -3.145 25973 880 1 3 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.040 -2.926 25973 881 1 3 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.707 -1.012 25973 882 1 3 . 1 1 13 13 ILE H H 13 9.169 9.169 8.658 0.511 25973 883 1 3 . 1 1 14 14 THR N N 14 120.078 120.078 122.574 -2.496 25973 884 1 3 . 1 1 14 14 THR HA H 14 4.883 4.883 4.850 0.033 25973 885 1 3 . 1 1 14 14 THR C C 14 170.915 170.915 173.811 -2.896 25973 886 1 3 . 1 1 14 14 THR CA C 14 58.998 58.998 61.489 -2.491 25973 887 1 3 . 1 1 14 14 THR CB C 14 67.221 67.221 69.436 -2.215 25973 888 1 3 . 1 1 14 14 THR H H 14 8.596 8.596 8.399 0.197 25973 889 1 3 . 1 1 15 15 LEU N N 15 124.381 124.381 127.913 -3.532 25973 890 1 3 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.722 0.034 25973 891 1 3 . 1 1 15 15 LEU C C 15 172.377 172.377 175.426 -3.049 25973 892 1 3 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.421 -3.420 25973 893 1 3 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.163 -1.042 25973 894 1 3 . 1 1 15 15 LEU H H 15 8.706 8.706 8.511 0.195 25973 895 1 3 . 1 1 16 16 GLU N N 16 122.156 122.156 121.909 0.247 25973 896 1 3 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.434 0.418 25973 897 1 3 . 1 1 16 16 GLU C C 16 172.785 172.785 175.277 -2.492 25973 898 1 3 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.758 -4.041 25973 899 1 3 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.443 -5.211 25973 900 1 3 . 1 1 16 16 GLU H H 16 8.259 8.259 8.587 -0.328 25973 901 1 3 . 1 1 17 17 VAL N N 17 115.706 115.706 120.497 -4.791 25973 902 1 3 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.453 0.180 25973 903 1 3 . 1 1 17 17 VAL C C 17 171.495 171.495 173.786 -2.291 25973 904 1 3 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.690 -4.023 25973 905 1 3 . 1 1 17 17 VAL CB C 17 33.215 33.215 35.079 -1.864 25973 906 1 3 . 1 1 17 17 VAL H H 17 8.631 8.631 7.856 0.775 25973 907 1 3 . 1 1 18 18 GLU N N 18 117.702 117.702 120.473 -2.771 25973 908 1 3 . 1 1 18 18 GLU H H 18 7.705 7.705 8.496 -0.791 25973 909 1 3 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.405 -0.368 25973 910 1 3 . 1 1 19 19 PRO C C 19 172.411 172.411 176.462 -4.051 25973 911 1 3 . 1 1 19 19 PRO CA C 19 62.565 62.565 64.387 -1.822 25973 912 1 3 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.015 -2.661 25973 913 1 3 . 1 1 20 20 SER N N 20 104.376 104.376 111.828 -7.452 25973 914 1 3 . 1 1 20 20 SER HA H 20 4.270 4.270 4.528 -0.258 25973 915 1 3 . 1 1 20 20 SER C C 20 172.006 172.006 174.157 -2.151 25973 916 1 3 . 1 1 20 20 SER CA C 20 54.697 54.697 57.309 -2.612 25973 917 1 3 . 1 1 20 20 SER CB C 20 60.491 60.491 63.821 -3.330 25973 918 1 3 . 1 1 20 20 SER H H 20 7.127 7.127 7.733 -0.606 25973 919 1 3 . 1 1 21 21 ASP N N 21 121.646 121.646 122.208 -0.562 25973 920 1 3 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.816 -0.102 25973 921 1 3 . 1 1 21 21 ASP C C 21 172.786 172.786 175.814 -3.028 25973 922 1 3 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.411 -2.975 25973 923 1 3 . 1 1 21 21 ASP CB C 21 36.288 36.288 42.247 -5.959 25973 924 1 3 . 1 1 21 21 ASP H H 21 7.890 7.890 7.808 0.082 25973 925 1 3 . 1 1 22 22 THR N N 22 109.295 109.295 108.725 0.570 25973 926 1 3 . 1 1 22 22 THR HA H 22 4.833 4.833 4.693 0.140 25973 927 1 3 . 1 1 22 22 THR C C 22 173.653 173.653 176.094 -2.441 25973 928 1 3 . 1 1 22 22 THR CA C 22 57.439 57.439 59.330 -1.891 25973 929 1 3 . 1 1 22 22 THR CB C 22 68.925 68.925 71.915 -2.990 25973 930 1 3 . 1 1 22 22 THR H H 22 8.202 8.202 7.965 0.237 25973 931 1 3 . 1 1 23 23 ILE N N 23 121.424 121.424 120.748 0.676 25973 932 1 3 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.742 -0.146 25973 933 1 3 . 1 1 23 23 ILE C C 23 176.250 176.250 177.494 -1.244 25973 934 1 3 . 1 1 23 23 ILE CA C 23 59.208 59.208 62.531 -3.322 25973 935 1 3 . 1 1 23 23 ILE CB C 23 31.692 31.692 36.253 -4.561 25973 936 1 3 . 1 1 23 23 ILE H H 23 8.450 8.450 8.841 -0.391 25973 937 1 3 . 1 1 24 24 GLU N N 24 120.359 120.359 120.953 -0.594 25973 938 1 3 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.893 -0.079 25973 939 1 3 . 1 1 24 24 GLU C C 24 175.008 175.008 178.721 -3.713 25973 940 1 3 . 1 1 24 24 GLU CA C 24 56.671 56.671 60.006 -3.335 25973 941 1 3 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.261 -3.675 25973 942 1 3 . 1 1 24 24 GLU H H 24 8.802 8.802 8.538 0.264 25973 943 1 3 . 1 1 25 25 ASN N N 25 119.035 119.035 117.761 1.274 25973 944 1 3 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.524 -0.131 25973 945 1 3 . 1 1 25 25 ASN C C 25 175.438 175.438 177.325 -1.887 25973 946 1 3 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.019 -2.364 25973 947 1 3 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.415 -2.146 25973 948 1 3 . 1 1 25 25 ASN H H 25 7.928 7.928 7.866 0.062 25973 949 1 3 . 1 1 26 26 ALA N N 26 122.272 122.272 122.949 -0.677 25973 950 1 3 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.987 -0.176 25973 951 1 3 . 1 1 26 26 ALA C C 26 176.256 176.256 179.323 -3.067 25973 952 1 3 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.009 -1.963 25973 953 1 3 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.466 -5.212 25973 954 1 3 . 1 1 26 26 ALA H H 26 7.949 7.949 7.446 0.503 25973 955 1 3 . 1 1 27 27 LYS N N 27 117.069 117.069 118.927 -1.858 25973 956 1 3 . 1 1 27 27 LYS H H 27 8.469 8.469 8.411 0.058 25973 957 1 3 . 1 1 28 28 ALA HA H 28 4.069 4.069 3.990 0.079 25973 958 1 3 . 1 1 28 28 ALA C C 28 177.699 177.699 179.215 -1.516 25973 959 1 3 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.411 -2.844 25973 960 1 3 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.337 -3.384 25973 961 1 3 . 1 1 29 29 LYS N N 29 119.644 119.644 119.451 0.193 25973 962 1 3 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.970 0.131 25973 963 1 3 . 1 1 29 29 LYS C C 29 177.487 177.487 179.091 -1.604 25973 964 1 3 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.487 -2.662 25973 965 1 3 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.391 -2.169 25973 966 1 3 . 1 1 29 29 LYS H H 29 7.726 7.726 7.528 0.198 25973 967 1 3 . 1 1 30 30 ILE N N 30 121.905 121.905 119.643 2.262 25973 968 1 3 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.631 0.551 25973 969 1 3 . 1 1 30 30 ILE C C 30 175.724 175.724 177.705 -1.981 25973 970 1 3 . 1 1 30 30 ILE CA C 30 63.545 63.545 64.995 -1.450 25973 971 1 3 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.912 -3.707 25973 972 1 3 . 1 1 30 30 ILE H H 30 8.206 8.206 7.701 0.505 25973 973 1 3 . 1 1 31 31 GLN N N 31 123.624 123.624 121.153 2.471 25973 974 1 3 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.092 -0.356 25973 975 1 3 . 1 1 31 31 GLN C C 31 176.118 176.118 178.190 -2.072 25973 976 1 3 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.022 -1.923 25973 977 1 3 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.565 -3.015 25973 978 1 3 . 1 1 31 31 GLN H H 31 8.597 8.597 7.931 0.666 25973 979 1 3 . 1 1 32 32 ASP N N 32 118.441 118.441 118.388 0.053 25973 980 1 3 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.474 -0.160 25973 981 1 3 . 1 1 32 32 ASP C C 32 173.568 173.568 177.870 -4.302 25973 982 1 3 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.322 -2.958 25973 983 1 3 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.952 -5.799 25973 984 1 3 . 1 1 32 32 ASP H H 32 7.994 7.994 8.158 -0.164 25973 985 1 3 . 1 1 33 33 LYS N N 33 115.568 115.568 118.695 -3.127 25973 986 1 3 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.311 -0.016 25973 987 1 3 . 1 1 33 33 LYS C C 33 174.935 174.935 177.965 -3.030 25973 988 1 3 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.722 -2.291 25973 989 1 3 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.681 -1.868 25973 990 1 3 . 1 1 33 33 LYS H H 33 7.383 7.383 7.712 -0.329 25973 991 1 3 . 1 1 34 34 GLU N N 34 113.069 113.069 115.666 -2.597 25973 992 1 3 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.492 0.127 25973 993 1 3 . 1 1 34 34 GLU C C 34 174.551 174.551 177.199 -2.648 25973 994 1 3 . 1 1 34 34 GLU CA C 34 52.222 52.222 55.825 -3.603 25973 995 1 3 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.278 -1.365 25973 996 1 3 . 1 1 34 34 GLU H H 34 8.697 8.697 8.323 0.374 25973 997 1 3 . 1 1 35 35 GLY N N 35 108.734 108.734 109.752 -1.018 25973 998 1 3 . 1 1 35 35 GLY C C 35 170.888 170.888 174.342 -3.454 25973 999 1 3 . 1 1 35 35 GLY H H 35 8.564 8.564 8.103 0.461 25973 1000 1 3 . 1 1 36 36 ILE N N 36 116.747 116.747 121.044 -4.297 25973 1001 1 3 . 1 1 36 36 ILE H H 36 6.763 6.763 7.454 -0.691 25973 1002 1 3 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.388 -0.396 25973 1003 1 3 . 1 1 38 38 PRO C C 38 175.657 175.657 177.735 -2.078 25973 1004 1 3 . 1 1 38 38 PRO CA C 38 63.734 63.734 64.898 -1.165 25973 1005 1 3 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.923 -1.764 25973 1006 1 3 . 1 1 39 39 ASP N N 39 113.150 113.150 117.653 -4.503 25973 1007 1 3 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.516 -0.111 25973 1008 1 3 . 1 1 39 39 ASP C C 39 173.637 173.637 176.525 -2.888 25973 1009 1 3 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.269 -4.306 25973 1010 1 3 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.122 -5.823 25973 1011 1 3 . 1 1 39 39 ASP H H 39 8.758 8.758 8.641 0.117 25973 1012 1 3 . 1 1 40 40 GLN N N 40 118.365 118.365 116.869 1.496 25973 1013 1 3 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.736 -0.335 25973 1014 1 3 . 1 1 40 40 GLN C C 40 172.173 172.173 174.543 -2.370 25973 1015 1 3 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.396 -2.470 25973 1016 1 3 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.771 -2.348 25973 1017 1 3 . 1 1 40 40 GLN H H 40 7.949 7.949 7.465 0.484 25973 1018 1 3 . 1 1 41 41 GLN N N 41 117.813 117.813 119.892 -2.079 25973 1019 1 3 . 1 1 41 41 GLN C C 41 172.785 172.785 174.356 -1.571 25973 1020 1 3 . 1 1 41 41 GLN H H 41 7.490 7.490 7.390 0.100 25973 1021 1 3 . 1 1 42 42 ARG N N 42 115.761 115.761 125.187 -9.426 25973 1022 1 3 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.699 -0.272 25973 1023 1 3 . 1 1 42 42 ARG C C 42 171.412 171.412 174.025 -2.613 25973 1024 1 3 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.066 -2.755 25973 1025 1 3 . 1 1 42 42 ARG CB C 42 28.635 28.635 33.622 -4.987 25973 1026 1 3 . 1 1 42 42 ARG H H 42 8.631 8.631 8.396 0.235 25973 1027 1 3 . 1 1 43 43 LEU N N 43 124.185 124.185 127.055 -2.870 25973 1028 1 3 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.935 0.359 25973 1029 1 3 . 1 1 43 43 LEU C C 43 172.374 172.374 176.193 -3.819 25973 1030 1 3 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.021 -3.167 25973 1031 1 3 . 1 1 43 43 LEU CB C 43 43.114 43.114 42.414 0.700 25973 1032 1 3 . 1 1 43 43 LEU H H 43 8.673 8.673 8.647 0.026 25973 1033 1 3 . 1 1 44 44 ILE N N 44 122.386 122.386 127.101 -4.715 25973 1034 1 3 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.478 0.441 25973 1035 1 3 . 1 1 44 44 ILE C C 44 173.248 173.248 173.921 -0.673 25973 1036 1 3 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.057 -3.630 25973 1037 1 3 . 1 1 44 44 ILE CB C 44 39.130 39.130 41.936 -2.806 25973 1038 1 3 . 1 1 44 44 ILE H H 44 8.970 8.970 9.101 -0.131 25973 1039 1 3 . 1 1 45 45 PHE N N 45 125.287 125.287 127.180 -1.893 25973 1040 1 3 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.810 0.145 25973 1041 1 3 . 1 1 45 45 PHE C C 45 171.645 171.645 174.239 -2.594 25973 1042 1 3 . 1 1 45 45 PHE CA C 45 54.395 54.395 58.363 -3.968 25973 1043 1 3 . 1 1 45 45 PHE CB C 45 41.282 41.282 41.119 0.163 25973 1044 1 3 . 1 1 45 45 PHE H H 45 8.658 8.658 8.530 0.128 25973 1045 1 3 . 1 1 46 46 ALA N N 46 100.596 100.596 128.876 -28.280 25973 1046 1 3 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.541 0.085 25973 1047 1 3 . 1 1 46 46 ALA C C 46 174.527 174.527 176.945 -2.418 25973 1048 1 3 . 1 1 46 46 ALA CA C 46 49.877 49.877 52.426 -2.549 25973 1049 1 3 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.489 -3.622 25973 1050 1 3 . 1 1 46 46 ALA H H 46 8.687 8.687 8.217 0.470 25973 1051 1 3 . 1 1 47 47 GLY N N 47 102.825 102.825 105.576 -2.751 25973 1052 1 3 . 1 1 47 47 GLY C C 47 171.138 171.138 174.833 -3.695 25973 1053 1 3 . 1 1 47 47 GLY CA C 47 42.658 42.658 45.608 -2.950 25973 1054 1 3 . 1 1 47 47 GLY H H 47 8.193 8.193 8.045 0.148 25973 1055 1 3 . 1 1 48 48 LYS N N 48 121.451 121.451 122.664 -1.213 25973 1056 1 3 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.380 0.162 25973 1057 1 3 . 1 1 48 48 LYS C C 48 171.954 171.954 175.910 -3.956 25973 1058 1 3 . 1 1 48 48 LYS CA C 48 51.653 51.653 55.597 -3.944 25973 1059 1 3 . 1 1 48 48 LYS CB C 48 31.761 31.761 31.602 0.159 25973 1060 1 3 . 1 1 48 48 LYS H H 48 7.888 7.888 8.211 -0.323 25973 1061 1 3 . 1 1 49 49 GLN N N 49 121.884 121.884 121.303 0.581 25973 1062 1 3 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.467 -0.049 25973 1063 1 3 . 1 1 49 49 GLN C C 49 173.073 173.073 176.173 -3.100 25973 1064 1 3 . 1 1 49 49 GLN CA C 49 52.999 52.999 54.123 -1.124 25973 1065 1 3 . 1 1 49 49 GLN CB C 49 26.041 26.041 30.040 -3.998 25973 1066 1 3 . 1 1 49 49 GLN H H 49 8.521 8.521 8.202 0.319 25973 1067 1 3 . 1 1 50 50 LEU N N 50 125.208 125.208 120.228 4.980 25973 1068 1 3 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.055 -0.109 25973 1069 1 3 . 1 1 50 50 LEU C C 50 173.823 173.823 176.255 -2.432 25973 1070 1 3 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.961 -3.378 25973 1071 1 3 . 1 1 50 50 LEU CB C 50 38.906 38.906 40.530 -1.624 25973 1072 1 3 . 1 1 50 50 LEU H H 50 8.427 8.427 8.392 0.035 25973 1073 1 3 . 1 1 51 51 GLU N N 51 122.400 122.400 119.771 2.629 25973 1074 1 3 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.369 0.055 25973 1075 1 3 . 1 1 51 51 GLU C C 51 173.730 173.730 176.933 -3.203 25973 1076 1 3 . 1 1 51 51 GLU CA C 51 52.821 52.821 56.181 -3.360 25973 1077 1 3 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.493 -3.417 25973 1078 1 3 . 1 1 51 51 GLU H H 51 8.333 8.333 7.944 0.389 25973 1079 1 3 . 1 1 52 52 ASP N N 52 119.615 119.615 121.241 -1.626 25973 1080 1 3 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.522 -0.263 25973 1081 1 3 . 1 1 52 52 ASP C C 52 173.507 173.507 176.954 -3.447 25973 1082 1 3 . 1 1 52 52 ASP CA C 52 53.536 53.536 55.056 -1.520 25973 1083 1 3 . 1 1 52 52 ASP CB C 52 36.441 36.441 41.490 -5.049 25973 1084 1 3 . 1 1 52 52 ASP H H 52 8.490 8.490 8.611 -0.121 25973 1085 1 3 . 1 1 53 53 GLY N N 53 104.158 104.158 106.015 -1.857 25973 1086 1 3 . 1 1 53 53 GLY C C 53 172.296 172.296 174.014 -1.718 25973 1087 1 3 . 1 1 53 53 GLY CA C 53 42.633 42.633 44.747 -2.114 25973 1088 1 3 . 1 1 53 53 GLY H H 53 8.622 8.622 7.854 0.768 25973 1089 1 3 . 1 1 54 54 ARG N N 54 119.010 119.010 120.535 -1.525 25973 1090 1 3 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.649 -0.181 25973 1091 1 3 . 1 1 54 54 ARG C C 54 172.237 172.237 175.915 -3.678 25973 1092 1 3 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.105 -3.358 25973 1093 1 3 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.113 -1.541 25973 1094 1 3 . 1 1 54 54 ARG H H 54 7.397 7.397 7.912 -0.515 25973 1095 1 3 . 1 1 55 55 THR N N 55 106.762 106.762 113.676 -6.914 25973 1096 1 3 . 1 1 55 55 THR HA H 55 4.545 4.545 4.523 0.022 25973 1097 1 3 . 1 1 55 55 THR C C 55 173.492 173.492 174.695 -1.203 25973 1098 1 3 . 1 1 55 55 THR CA C 55 57.122 57.122 60.642 -3.519 25973 1099 1 3 . 1 1 55 55 THR CB C 55 69.087 69.087 70.542 -1.455 25973 1100 1 3 . 1 1 55 55 THR H H 55 7.536 7.536 8.150 -0.614 25973 1101 1 3 . 1 1 56 56 LEU N N 56 119.096 119.096 120.108 -1.012 25973 1102 1 3 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.205 -0.243 25973 1103 1 3 . 1 1 56 56 LEU C C 56 178.169 178.169 179.049 -0.880 25973 1104 1 3 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.878 -1.602 25973 1105 1 3 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.779 -4.534 25973 1106 1 3 . 1 1 56 56 LEU H H 56 8.258 8.258 8.406 -0.148 25973 1107 1 3 . 1 1 57 57 SER N N 57 113.389 113.389 114.699 -1.310 25973 1108 1 3 . 1 1 57 57 SER HA H 57 4.180 4.180 4.237 -0.057 25973 1109 1 3 . 1 1 57 57 SER C C 57 175.491 175.491 176.444 -0.953 25973 1110 1 3 . 1 1 57 57 SER CA C 57 57.967 57.967 61.350 -3.383 25973 1111 1 3 . 1 1 57 57 SER CB C 57 59.730 59.730 62.095 -2.365 25973 1112 1 3 . 1 1 57 57 SER H H 57 8.484 8.484 8.463 0.021 25973 1113 1 3 . 1 1 58 58 ASP N N 58 122.795 122.795 121.677 1.118 25973 1114 1 3 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.494 -0.220 25973 1115 1 3 . 1 1 58 58 ASP C C 58 173.529 173.529 177.338 -3.809 25973 1116 1 3 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.173 -3.354 25973 1117 1 3 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.891 -6.231 25973 1118 1 3 . 1 1 58 58 ASP H H 58 7.893 7.893 7.818 0.075 25973 1119 1 3 . 1 1 59 59 TYR N N 59 116.135 116.135 117.818 -1.683 25973 1120 1 3 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.554 0.069 25973 1121 1 3 . 1 1 59 59 TYR C C 59 171.756 171.756 174.790 -3.034 25973 1122 1 3 . 1 1 59 59 TYR CA C 59 55.546 55.546 59.008 -3.462 25973 1123 1 3 . 1 1 59 59 TYR CB C 59 37.146 37.146 38.862 -1.716 25973 1124 1 3 . 1 1 59 59 TYR H H 59 7.243 7.243 7.607 -0.364 25973 1125 1 3 . 1 1 60 60 ASN N N 60 115.660 115.660 115.910 -0.250 25973 1126 1 3 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.364 -0.083 25973 1127 1 3 . 1 1 60 60 ASN C C 60 171.419 171.419 174.548 -3.129 25973 1128 1 3 . 1 1 60 60 ASN CA C 60 51.470 51.470 53.548 -2.078 25973 1129 1 3 . 1 1 60 60 ASN CB C 60 34.647 34.647 36.467 -1.820 25973 1130 1 3 . 1 1 60 60 ASN H H 60 8.108 8.108 8.167 -0.059 25973 1131 1 3 . 1 1 61 61 ILE N N 61 118.591 118.591 119.535 -0.944 25973 1132 1 3 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.748 -0.489 25973 1133 1 3 . 1 1 61 61 ILE C C 61 171.673 171.673 176.308 -4.635 25973 1134 1 3 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.218 -2.481 25973 1135 1 3 . 1 1 61 61 ILE CB C 61 34.117 34.117 36.406 -2.289 25973 1136 1 3 . 1 1 61 61 ILE H H 61 7.031 7.031 8.184 -1.153 25973 1137 1 3 . 1 1 62 62 GLN N N 62 125.176 125.176 126.416 -1.240 25973 1138 1 3 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.541 -0.073 25973 1139 1 3 . 1 1 62 62 GLN C C 62 172.907 172.907 175.485 -2.578 25973 1140 1 3 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.779 -3.832 25973 1141 1 3 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.931 -1.631 25973 1142 1 3 . 1 1 62 62 GLN H H 62 7.645 7.645 8.491 -0.846 25973 1143 1 3 . 1 1 63 63 LYS N N 63 120.040 120.040 117.803 2.237 25973 1144 1 3 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.329 -0.419 25973 1145 1 3 . 1 1 63 63 LYS C C 63 173.589 173.589 177.652 -4.063 25973 1146 1 3 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.247 -0.955 25973 1147 1 3 . 1 1 63 63 LYS CB C 63 29.920 29.920 33.146 -3.226 25973 1148 1 3 . 1 1 63 63 LYS H H 63 8.416 8.416 8.173 0.243 25973 1149 1 3 . 1 1 64 64 GLU N N 64 113.699 113.699 116.536 -2.837 25973 1150 1 3 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.145 -0.629 25973 1151 1 3 . 1 1 64 64 GLU C C 64 172.267 172.267 175.635 -3.368 25973 1152 1 3 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.808 -3.093 25973 1153 1 3 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.253 -5.452 25973 1154 1 3 . 1 1 64 64 GLU H H 64 9.180 9.180 8.605 0.575 25973 1155 1 3 . 1 1 65 65 SER N N 65 115.564 115.564 113.832 1.732 25973 1156 1 3 . 1 1 65 65 SER HA H 65 4.531 4.531 4.728 -0.197 25973 1157 1 3 . 1 1 65 65 SER C C 65 169.375 169.375 174.423 -5.048 25973 1158 1 3 . 1 1 65 65 SER CA C 65 58.422 58.422 58.348 0.074 25973 1159 1 3 . 1 1 65 65 SER CB C 65 62.153 62.153 64.679 -2.526 25973 1160 1 3 . 1 1 65 65 SER H H 65 7.818 7.818 7.852 -0.034 25973 1161 1 3 . 1 1 66 66 THR N N 66 117.311 117.311 122.250 -4.939 25973 1162 1 3 . 1 1 66 66 THR HA H 66 5.106 5.106 4.551 0.555 25973 1163 1 3 . 1 1 66 66 THR C C 66 171.057 171.057 173.962 -2.905 25973 1164 1 3 . 1 1 66 66 THR CA C 66 59.814 59.814 62.381 -2.567 25973 1165 1 3 . 1 1 66 66 THR CB C 66 67.491 67.491 68.707 -1.216 25973 1166 1 3 . 1 1 66 66 THR H H 66 8.704 8.704 8.700 0.004 25973 1167 1 3 . 1 1 67 67 LEU N N 67 127.157 127.157 128.875 -1.718 25973 1168 1 3 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.638 0.313 25973 1169 1 3 . 1 1 67 67 LEU C C 67 173.090 173.090 175.659 -2.569 25973 1170 1 3 . 1 1 67 67 LEU CA C 67 51.708 51.708 53.995 -2.287 25973 1171 1 3 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.316 -2.925 25973 1172 1 3 . 1 1 67 67 LEU H H 67 9.318 9.318 9.216 0.102 25973 1173 1 3 . 1 1 68 68 HIS N N 68 118.227 118.227 121.399 -3.172 25973 1174 1 3 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.878 0.292 25973 1175 1 3 . 1 1 68 68 HIS C C 68 170.031 170.031 174.175 -4.144 25973 1176 1 3 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.599 -3.535 25973 1177 1 3 . 1 1 68 68 HIS CB C 68 27.536 27.536 30.555 -3.019 25973 1178 1 3 . 1 1 68 68 HIS H H 68 9.141 9.141 9.031 0.110 25973 1179 1 3 . 1 1 69 69 LEU N N 69 124.847 124.847 127.424 -2.577 25973 1180 1 3 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.207 -0.099 25973 1181 1 3 . 1 1 69 69 LEU C C 69 172.304 172.304 174.844 -2.540 25973 1182 1 3 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.579 -1.933 25973 1183 1 3 . 1 1 69 69 LEU CB C 69 41.603 41.603 43.591 -1.988 25973 1184 1 3 . 1 1 69 69 LEU H H 69 8.332 8.332 8.599 -0.267 25973 1185 1 3 . 1 1 70 70 VAL N N 70 128.173 128.173 128.195 -0.022 25973 1186 1 3 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.435 0.015 25973 1187 1 3 . 1 1 70 70 VAL C C 70 177.746 177.746 174.592 3.154 25973 1188 1 3 . 1 1 70 70 VAL CA C 70 58.395 58.395 61.180 -2.785 25973 1189 1 3 . 1 1 70 70 VAL CB C 70 31.198 31.198 34.254 -3.056 25973 1190 1 3 . 1 1 70 70 VAL H H 70 9.159 9.159 9.055 0.104 25973 1191 1 3 . 1 1 71 71 LEU N N 71 124.557 124.557 124.985 -0.428 25973 1192 1 3 . 1 1 71 71 LEU HA H 71 4.922 4.922 4.782 0.140 25973 1193 1 3 . 1 1 71 71 LEU C C 71 174.917 174.917 176.446 -1.529 25973 1194 1 3 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.810 -1.980 25973 1195 1 3 . 1 1 71 71 LEU CB C 71 39.997 39.997 43.250 -3.253 25973 1196 1 3 . 1 1 71 71 LEU H H 71 8.273 8.273 8.440 -0.167 25973 1197 1 3 . 1 1 72 72 ARG N N 72 123.440 123.440 122.669 0.771 25973 1198 1 3 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.684 -0.435 25973 1199 1 3 . 1 1 72 72 ARG C C 72 172.657 172.657 175.515 -2.858 25973 1200 1 3 . 1 1 72 72 ARG CA C 72 52.746 52.746 53.896 -1.150 25973 1201 1 3 . 1 1 72 72 ARG CB C 72 28.058 28.058 32.871 -4.813 25973 1202 1 3 . 1 1 72 72 ARG H H 72 8.532 8.532 8.053 0.479 25973 1203 1 3 . 1 1 73 73 LEU N N 73 124.189 124.189 121.583 2.606 25973 1204 1 3 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.031 0.240 25973 1205 1 3 . 1 1 73 73 LEU C C 73 174.691 174.691 174.707 -0.016 25973 1206 1 3 . 1 1 73 73 LEU CA C 73 52.361 52.361 55.313 -2.952 25973 1207 1 3 . 1 1 73 73 LEU CB C 73 39.708 39.708 41.758 -2.050 25973 1208 1 3 . 1 1 73 73 LEU H H 73 8.289 8.289 8.694 -0.405 25973 1209 1 3 . 1 1 74 74 ARG N N 74 121.162 121.162 121.933 -0.771 25973 1210 1 3 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.504 -0.257 25973 1211 1 3 . 1 1 74 74 ARG C C 74 173.901 173.901 176.354 -2.453 25973 1212 1 3 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.423 -1.798 25973 1213 1 3 . 1 1 74 74 ARG CB C 74 28.134 28.134 30.989 -2.855 25973 1214 1 3 . 1 1 74 74 ARG H H 74 8.268 8.268 7.843 0.425 25973 1215 1 3 . 1 1 75 75 GLY N N 75 110.230 110.230 111.335 -1.105 25973 1216 1 3 . 1 1 75 75 GLY C C 75 171.504 171.504 174.521 -3.017 25973 1217 1 3 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.770 -2.366 25973 1218 1 3 . 1 1 75 75 GLY H H 75 8.367 8.367 8.824 -0.457 25973 1219 1 4 . 1 1 2 2 GLN N N 2 124.960 124.960 118.388 6.572 25973 1220 1 4 . 1 1 2 2 GLN HA H 2 5.089 5.089 5.162 -0.073 25973 1221 1 4 . 1 1 2 2 GLN C C 2 172.479 172.479 174.840 -2.361 25973 1222 1 4 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.590 -2.270 25973 1223 1 4 . 1 1 2 2 GLN CB C 2 28.181 28.181 31.938 -3.757 25973 1224 1 4 . 1 1 2 2 GLN H H 2 8.807 8.807 8.332 0.475 25973 1225 1 4 . 1 1 3 3 ILE N N 3 116.556 116.556 116.131 0.425 25973 1226 1 4 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.357 -0.179 25973 1227 1 4 . 1 1 3 3 ILE C C 3 169.813 169.813 173.072 -3.259 25973 1228 1 4 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.538 -2.917 25973 1229 1 4 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.538 -2.433 25973 1230 1 4 . 1 1 3 3 ILE H H 3 8.237 8.237 8.054 0.183 25973 1231 1 4 . 1 1 4 4 PHE N N 4 118.417 118.417 117.895 0.522 25973 1232 1 4 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.311 0.188 25973 1233 1 4 . 1 1 4 4 PHE C C 4 172.505 172.505 174.692 -2.187 25973 1234 1 4 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.105 -3.281 25973 1235 1 4 . 1 1 4 4 PHE CB C 4 38.890 38.890 42.769 -3.879 25973 1236 1 4 . 1 1 4 4 PHE H H 4 8.675 8.675 8.778 -0.103 25973 1237 1 4 . 1 1 5 5 VAL N N 5 120.755 120.755 122.715 -1.960 25973 1238 1 4 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.702 -0.115 25973 1239 1 4 . 1 1 5 5 VAL C C 5 172.070 172.070 174.542 -2.472 25973 1240 1 4 . 1 1 5 5 VAL CA C 5 58.120 58.120 60.964 -2.844 25973 1241 1 4 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.705 -2.657 25973 1242 1 4 . 1 1 5 5 VAL H H 5 9.190 9.190 9.081 0.109 25973 1243 1 4 . 1 1 6 6 LYS N N 6 127.964 127.964 129.242 -1.278 25973 1244 1 4 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.698 0.540 25973 1245 1 4 . 1 1 6 6 LYS C C 6 174.119 174.119 175.920 -1.801 25973 1246 1 4 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.818 -2.947 25973 1247 1 4 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.839 -2.171 25973 1248 1 4 . 1 1 6 6 LYS H H 6 8.758 8.758 9.184 -0.426 25973 1249 1 4 . 1 1 7 7 THR N N 7 115.618 115.618 118.576 -2.958 25973 1250 1 4 . 1 1 7 7 THR HA H 7 4.912 4.912 4.767 0.145 25973 1251 1 4 . 1 1 7 7 THR C C 7 173.994 173.994 176.592 -2.598 25973 1252 1 4 . 1 1 7 7 THR CA C 7 57.844 57.844 60.069 -2.225 25973 1253 1 4 . 1 1 7 7 THR CB C 7 68.137 68.137 70.595 -2.458 25973 1254 1 4 . 1 1 7 7 THR H H 7 8.573 8.573 8.099 0.474 25973 1255 1 4 . 1 1 8 8 LEU N N 8 122.083 122.083 119.711 2.372 25973 1256 1 4 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.355 -0.146 25973 1257 1 4 . 1 1 8 8 LEU C C 8 176.005 176.005 177.764 -1.759 25973 1258 1 4 . 1 1 8 8 LEU CA C 8 55.656 55.656 56.576 -0.920 25973 1259 1 4 . 1 1 8 8 LEU CB C 8 39.247 39.247 41.826 -2.579 25973 1260 1 4 . 1 1 8 8 LEU H H 8 9.034 9.034 8.609 0.425 25973 1261 1 4 . 1 1 9 9 THR N N 9 105.803 105.803 108.337 -2.534 25973 1262 1 4 . 1 1 9 9 THR HA H 9 4.503 4.503 4.401 0.102 25973 1263 1 4 . 1 1 9 9 THR C C 9 172.624 172.624 175.786 -3.162 25973 1264 1 4 . 1 1 9 9 THR CA C 9 58.961 58.961 61.648 -2.687 25973 1265 1 4 . 1 1 9 9 THR CB C 9 66.541 66.541 69.653 -3.112 25973 1266 1 4 . 1 1 9 9 THR H H 9 7.582 7.582 7.773 -0.191 25973 1267 1 4 . 1 1 10 10 GLY N N 10 109.254 109.254 110.521 -1.267 25973 1268 1 4 . 1 1 10 10 GLY C C 10 171.405 171.405 174.171 -2.766 25973 1269 1 4 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.095 -2.442 25973 1270 1 4 . 1 1 10 10 GLY H H 10 7.770 7.770 7.544 0.226 25973 1271 1 4 . 1 1 11 11 LYS N N 11 121.278 121.278 123.532 -2.254 25973 1272 1 4 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.184 0.124 25973 1273 1 4 . 1 1 11 11 LYS C C 11 173.489 173.489 175.966 -2.477 25973 1274 1 4 . 1 1 11 11 LYS CA C 11 53.385 53.385 57.087 -3.701 25973 1275 1 4 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.946 -2.774 25973 1276 1 4 . 1 1 11 11 LYS H H 11 7.313 7.313 7.538 -0.225 25973 1277 1 4 . 1 1 12 12 THR N N 12 120.644 120.644 121.693 -1.049 25973 1278 1 4 . 1 1 12 12 THR HA H 12 4.972 4.972 5.112 -0.140 25973 1279 1 4 . 1 1 12 12 THR C C 12 171.547 171.547 174.573 -3.026 25973 1280 1 4 . 1 1 12 12 THR CA C 12 59.880 59.880 62.297 -2.417 25973 1281 1 4 . 1 1 12 12 THR CB C 12 67.386 67.386 69.450 -2.064 25973 1282 1 4 . 1 1 12 12 THR H H 12 8.659 8.659 8.213 0.446 25973 1283 1 4 . 1 1 13 13 ILE N N 13 125.497 125.497 128.189 -2.692 25973 1284 1 4 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.457 0.081 25973 1285 1 4 . 1 1 13 13 ILE C C 13 172.300 172.300 175.502 -3.202 25973 1286 1 4 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.071 -2.957 25973 1287 1 4 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.406 -0.710 25973 1288 1 4 . 1 1 13 13 ILE H H 13 9.169 9.169 8.930 0.239 25973 1289 1 4 . 1 1 14 14 THR N N 14 120.078 120.078 123.212 -3.134 25973 1290 1 4 . 1 1 14 14 THR HA H 14 4.883 4.883 4.994 -0.111 25973 1291 1 4 . 1 1 14 14 THR C C 14 170.915 170.915 173.841 -2.926 25973 1292 1 4 . 1 1 14 14 THR CA C 14 58.998 58.998 61.294 -2.296 25973 1293 1 4 . 1 1 14 14 THR CB C 14 67.221 67.221 69.398 -2.177 25973 1294 1 4 . 1 1 14 14 THR H H 14 8.596 8.596 8.510 0.086 25973 1295 1 4 . 1 1 15 15 LEU N N 15 124.381 124.381 127.338 -2.957 25973 1296 1 4 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.667 0.089 25973 1297 1 4 . 1 1 15 15 LEU C C 15 172.377 172.377 175.566 -3.189 25973 1298 1 4 . 1 1 15 15 LEU CA C 15 50.001 50.001 52.662 -2.661 25973 1299 1 4 . 1 1 15 15 LEU CB C 15 44.121 44.121 43.932 0.189 25973 1300 1 4 . 1 1 15 15 LEU H H 15 8.706 8.706 8.009 0.697 25973 1301 1 4 . 1 1 16 16 GLU N N 16 122.156 122.156 122.858 -0.702 25973 1302 1 4 . 1 1 16 16 GLU HA H 16 4.852 4.852 5.046 -0.194 25973 1303 1 4 . 1 1 16 16 GLU C C 16 172.785 172.785 175.584 -2.799 25973 1304 1 4 . 1 1 16 16 GLU CA C 16 51.717 51.717 54.825 -3.108 25973 1305 1 4 . 1 1 16 16 GLU CB C 16 25.232 25.232 31.031 -5.799 25973 1306 1 4 . 1 1 16 16 GLU H H 16 8.259 8.259 8.610 -0.351 25973 1307 1 4 . 1 1 17 17 VAL N N 17 115.706 115.706 119.012 -3.306 25973 1308 1 4 . 1 1 17 17 VAL HA H 17 4.633 4.633 5.080 -0.447 25973 1309 1 4 . 1 1 17 17 VAL C C 17 171.495 171.495 174.547 -3.052 25973 1310 1 4 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.259 -3.592 25973 1311 1 4 . 1 1 17 17 VAL CB C 17 33.215 33.215 35.934 -2.719 25973 1312 1 4 . 1 1 17 17 VAL H H 17 8.631 8.631 8.205 0.426 25973 1313 1 4 . 1 1 18 18 GLU N N 18 117.702 117.702 119.784 -2.082 25973 1314 1 4 . 1 1 18 18 GLU H H 18 7.705 7.705 8.583 -0.878 25973 1315 1 4 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.136 -0.099 25973 1316 1 4 . 1 1 19 19 PRO C C 19 172.411 172.411 177.418 -5.007 25973 1317 1 4 . 1 1 19 19 PRO CA C 19 62.565 62.565 65.282 -2.717 25973 1318 1 4 . 1 1 19 19 PRO CB C 19 29.354 29.354 31.835 -2.481 25973 1319 1 4 . 1 1 20 20 SER N N 20 104.376 104.376 112.051 -7.675 25973 1320 1 4 . 1 1 20 20 SER HA H 20 4.270 4.270 4.257 0.013 25973 1321 1 4 . 1 1 20 20 SER C C 20 172.006 172.006 174.562 -2.556 25973 1322 1 4 . 1 1 20 20 SER CA C 20 54.697 54.697 59.272 -4.575 25973 1323 1 4 . 1 1 20 20 SER CB C 20 60.491 60.491 63.080 -2.589 25973 1324 1 4 . 1 1 20 20 SER H H 20 7.127 7.127 8.542 -1.415 25973 1325 1 4 . 1 1 21 21 ASP N N 21 121.646 121.646 123.433 -1.787 25973 1326 1 4 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.711 0.003 25973 1327 1 4 . 1 1 21 21 ASP C C 21 172.786 172.786 175.486 -2.700 25973 1328 1 4 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.391 -2.955 25973 1329 1 4 . 1 1 21 21 ASP CB C 21 36.288 36.288 41.208 -4.920 25973 1330 1 4 . 1 1 21 21 ASP H H 21 7.890 7.890 8.057 -0.167 25973 1331 1 4 . 1 1 22 22 THR N N 22 109.295 109.295 110.056 -0.761 25973 1332 1 4 . 1 1 22 22 THR HA H 22 4.833 4.833 4.484 0.349 25973 1333 1 4 . 1 1 22 22 THR C C 22 173.653 173.653 176.486 -2.833 25973 1334 1 4 . 1 1 22 22 THR CA C 22 57.439 57.439 59.581 -2.142 25973 1335 1 4 . 1 1 22 22 THR CB C 22 68.925 68.925 72.204 -3.280 25973 1336 1 4 . 1 1 22 22 THR H H 22 8.202 8.202 7.953 0.249 25973 1337 1 4 . 1 1 23 23 ILE N N 23 121.424 121.424 120.321 1.103 25973 1338 1 4 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.764 -0.168 25973 1339 1 4 . 1 1 23 23 ILE C C 23 176.250 176.250 177.838 -1.588 25973 1340 1 4 . 1 1 23 23 ILE CA C 23 59.208 59.208 62.550 -3.342 25973 1341 1 4 . 1 1 23 23 ILE CB C 23 31.692 31.692 36.518 -4.826 25973 1342 1 4 . 1 1 23 23 ILE H H 23 8.450 8.450 8.817 -0.367 25973 1343 1 4 . 1 1 24 24 GLU N N 24 120.359 120.359 120.077 0.282 25973 1344 1 4 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.917 -0.103 25973 1345 1 4 . 1 1 24 24 GLU C C 24 175.008 175.008 179.331 -4.323 25973 1346 1 4 . 1 1 24 24 GLU CA C 24 56.671 56.671 59.688 -3.018 25973 1347 1 4 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.075 -3.489 25973 1348 1 4 . 1 1 24 24 GLU H H 24 8.802 8.802 8.011 0.791 25973 1349 1 4 . 1 1 25 25 ASN N N 25 119.035 119.035 118.015 1.020 25973 1350 1 4 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.500 -0.107 25973 1351 1 4 . 1 1 25 25 ASN C C 25 175.438 175.438 177.399 -1.961 25973 1352 1 4 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.105 -2.450 25973 1353 1 4 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.642 -2.373 25973 1354 1 4 . 1 1 25 25 ASN H H 25 7.928 7.928 8.509 -0.581 25973 1355 1 4 . 1 1 26 26 ALA N N 26 122.272 122.272 123.717 -1.445 25973 1356 1 4 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.982 -0.171 25973 1357 1 4 . 1 1 26 26 ALA C C 26 176.256 176.256 179.298 -3.042 25973 1358 1 4 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.144 -2.098 25973 1359 1 4 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.380 -5.126 25973 1360 1 4 . 1 1 26 26 ALA H H 26 7.949 7.949 7.505 0.444 25973 1361 1 4 . 1 1 27 27 LYS N N 27 117.069 117.069 118.879 -1.810 25973 1362 1 4 . 1 1 27 27 LYS H H 27 8.469 8.469 8.404 0.065 25973 1363 1 4 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.075 -0.006 25973 1364 1 4 . 1 1 28 28 ALA C C 28 177.699 177.699 179.427 -1.728 25973 1365 1 4 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.141 -2.574 25973 1366 1 4 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.329 -3.376 25973 1367 1 4 . 1 1 29 29 LYS N N 29 119.644 119.644 119.591 0.053 25973 1368 1 4 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.990 0.111 25973 1369 1 4 . 1 1 29 29 LYS C C 29 177.487 177.487 179.095 -1.608 25973 1370 1 4 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.451 -2.626 25973 1371 1 4 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.438 -2.216 25973 1372 1 4 . 1 1 29 29 LYS H H 29 7.726 7.726 7.650 0.076 25973 1373 1 4 . 1 1 30 30 ILE N N 30 121.905 121.905 120.148 1.757 25973 1374 1 4 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.679 0.503 25973 1375 1 4 . 1 1 30 30 ILE C C 30 175.724 175.724 177.504 -1.780 25973 1376 1 4 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.656 -2.111 25973 1377 1 4 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.942 -3.737 25973 1378 1 4 . 1 1 30 30 ILE H H 30 8.206 8.206 8.013 0.193 25973 1379 1 4 . 1 1 31 31 GLN N N 31 123.624 123.624 121.215 2.409 25973 1380 1 4 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.158 -0.422 25973 1381 1 4 . 1 1 31 31 GLN C C 31 176.118 176.118 178.432 -2.314 25973 1382 1 4 . 1 1 31 31 GLN CA C 31 57.098 57.098 58.993 -1.895 25973 1383 1 4 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.134 -2.584 25973 1384 1 4 . 1 1 31 31 GLN H H 31 8.597 8.597 7.931 0.666 25973 1385 1 4 . 1 1 32 32 ASP N N 32 118.441 118.441 118.640 -0.199 25973 1386 1 4 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.507 -0.193 25973 1387 1 4 . 1 1 32 32 ASP C C 32 173.568 173.568 177.944 -4.376 25973 1388 1 4 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.255 -2.890 25973 1389 1 4 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.943 -5.790 25973 1390 1 4 . 1 1 32 32 ASP H H 32 7.994 7.994 7.952 0.042 25973 1391 1 4 . 1 1 33 33 LYS N N 33 115.568 115.568 118.534 -2.966 25973 1392 1 4 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.395 -0.100 25973 1393 1 4 . 1 1 33 33 LYS C C 33 174.935 174.935 177.921 -2.986 25973 1394 1 4 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.733 -2.303 25973 1395 1 4 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.750 -1.937 25973 1396 1 4 . 1 1 33 33 LYS H H 33 7.383 7.383 7.615 -0.232 25973 1397 1 4 . 1 1 34 34 GLU N N 34 113.069 113.069 115.453 -2.384 25973 1398 1 4 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.461 0.158 25973 1399 1 4 . 1 1 34 34 GLU C C 34 174.551 174.551 177.224 -2.673 25973 1400 1 4 . 1 1 34 34 GLU CA C 34 52.222 52.222 55.733 -3.511 25973 1401 1 4 . 1 1 34 34 GLU CB C 34 28.913 28.913 31.149 -2.236 25973 1402 1 4 . 1 1 34 34 GLU H H 34 8.697 8.697 8.469 0.228 25973 1403 1 4 . 1 1 35 35 GLY N N 35 108.734 108.734 108.978 -0.244 25973 1404 1 4 . 1 1 35 35 GLY C C 35 170.888 170.888 174.295 -3.407 25973 1405 1 4 . 1 1 35 35 GLY H H 35 8.564 8.564 8.170 0.394 25973 1406 1 4 . 1 1 36 36 ILE N N 36 116.747 116.747 121.588 -4.841 25973 1407 1 4 . 1 1 36 36 ILE H H 36 6.763 6.763 7.424 -0.661 25973 1408 1 4 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.196 -0.204 25973 1409 1 4 . 1 1 38 38 PRO C C 38 175.657 175.657 178.717 -3.060 25973 1410 1 4 . 1 1 38 38 PRO CA C 38 63.734 63.734 66.041 -2.307 25973 1411 1 4 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.645 -1.486 25973 1412 1 4 . 1 1 39 39 ASP N N 39 113.150 113.150 117.193 -4.043 25973 1413 1 4 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.385 0.020 25973 1414 1 4 . 1 1 39 39 ASP C C 39 173.637 173.637 176.807 -3.170 25973 1415 1 4 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.516 -4.553 25973 1416 1 4 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.398 -6.099 25973 1417 1 4 . 1 1 39 39 ASP H H 39 8.758 8.758 8.760 -0.002 25973 1418 1 4 . 1 1 40 40 GLN N N 40 118.365 118.365 116.468 1.897 25973 1419 1 4 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.509 -0.108 25973 1420 1 4 . 1 1 40 40 GLN C C 40 172.173 172.173 174.779 -2.606 25973 1421 1 4 . 1 1 40 40 GLN CA C 40 52.926 52.926 54.877 -1.951 25973 1422 1 4 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.364 -1.941 25973 1423 1 4 . 1 1 40 40 GLN H H 40 7.949 7.949 8.170 -0.221 25973 1424 1 4 . 1 1 41 41 GLN N N 41 117.813 117.813 119.241 -1.428 25973 1425 1 4 . 1 1 41 41 GLN C C 41 172.785 172.785 175.041 -2.256 25973 1426 1 4 . 1 1 41 41 GLN H H 41 7.490 7.490 7.489 0.001 25973 1427 1 4 . 1 1 42 42 ARG N N 42 115.761 115.761 125.844 -10.083 25973 1428 1 4 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.663 -0.236 25973 1429 1 4 . 1 1 42 42 ARG C C 42 171.412 171.412 174.281 -2.869 25973 1430 1 4 . 1 1 42 42 ARG CA C 42 52.312 52.312 54.885 -2.573 25973 1431 1 4 . 1 1 42 42 ARG CB C 42 28.635 28.635 32.477 -3.842 25973 1432 1 4 . 1 1 42 42 ARG H H 42 8.631 8.631 8.803 -0.172 25973 1433 1 4 . 1 1 43 43 LEU N N 43 124.185 124.185 126.944 -2.759 25973 1434 1 4 . 1 1 43 43 LEU HA H 43 5.294 5.294 5.242 0.052 25973 1435 1 4 . 1 1 43 43 LEU C C 43 172.374 172.374 176.428 -4.054 25973 1436 1 4 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.341 -3.487 25973 1437 1 4 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.801 -0.687 25973 1438 1 4 . 1 1 43 43 LEU H H 43 8.673 8.673 8.700 -0.027 25973 1439 1 4 . 1 1 44 44 ILE N N 44 122.386 122.386 124.697 -2.311 25973 1440 1 4 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.531 0.388 25973 1441 1 4 . 1 1 44 44 ILE C C 44 173.248 173.248 174.115 -0.867 25973 1442 1 4 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.365 -3.938 25973 1443 1 4 . 1 1 44 44 ILE CB C 44 39.130 39.130 42.832 -3.702 25973 1444 1 4 . 1 1 44 44 ILE H H 44 8.970 8.970 8.923 0.047 25973 1445 1 4 . 1 1 45 45 PHE N N 45 125.287 125.287 123.252 2.035 25973 1446 1 4 . 1 1 45 45 PHE HA H 45 4.955 4.955 5.007 -0.052 25973 1447 1 4 . 1 1 45 45 PHE C C 45 171.645 171.645 174.625 -2.980 25973 1448 1 4 . 1 1 45 45 PHE CA C 45 54.395 54.395 56.633 -2.238 25973 1449 1 4 . 1 1 45 45 PHE CB C 45 41.282 41.282 41.169 0.113 25973 1450 1 4 . 1 1 45 45 PHE H H 45 8.658 8.658 8.481 0.177 25973 1451 1 4 . 1 1 46 46 ALA N N 46 100.596 100.596 128.634 -28.038 25973 1452 1 4 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.643 -0.017 25973 1453 1 4 . 1 1 46 46 ALA C C 46 174.527 174.527 177.758 -3.231 25973 1454 1 4 . 1 1 46 46 ALA CA C 46 49.877 49.877 52.637 -2.760 25973 1455 1 4 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.623 -3.756 25973 1456 1 4 . 1 1 46 46 ALA H H 46 8.687 8.687 8.358 0.329 25973 1457 1 4 . 1 1 47 47 GLY N N 47 102.825 102.825 104.743 -1.918 25973 1458 1 4 . 1 1 47 47 GLY C C 47 171.138 171.138 174.966 -3.828 25973 1459 1 4 . 1 1 47 47 GLY CA C 47 42.658 42.658 45.738 -3.080 25973 1460 1 4 . 1 1 47 47 GLY H H 47 8.193 8.193 8.141 0.052 25973 1461 1 4 . 1 1 48 48 LYS N N 48 121.451 121.451 120.481 0.970 25973 1462 1 4 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.222 0.320 25973 1463 1 4 . 1 1 48 48 LYS C C 48 171.954 171.954 177.517 -5.563 25973 1464 1 4 . 1 1 48 48 LYS CA C 48 51.653 51.653 56.106 -4.454 25973 1465 1 4 . 1 1 48 48 LYS CB C 48 31.761 31.761 33.461 -1.700 25973 1466 1 4 . 1 1 48 48 LYS H H 48 7.888 7.888 7.800 0.088 25973 1467 1 4 . 1 1 49 49 GLN N N 49 121.884 121.884 119.157 2.727 25973 1468 1 4 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.368 0.050 25973 1469 1 4 . 1 1 49 49 GLN C C 49 173.073 173.073 175.082 -2.009 25973 1470 1 4 . 1 1 49 49 GLN CA C 49 52.999 52.999 56.361 -3.362 25973 1471 1 4 . 1 1 49 49 GLN CB C 49 26.041 26.041 29.419 -3.377 25973 1472 1 4 . 1 1 49 49 GLN H H 49 8.521 8.521 8.416 0.105 25973 1473 1 4 . 1 1 50 50 LEU N N 50 125.208 125.208 120.181 5.027 25973 1474 1 4 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.140 -0.194 25973 1475 1 4 . 1 1 50 50 LEU C C 50 173.823 173.823 175.515 -1.692 25973 1476 1 4 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.640 -3.058 25973 1477 1 4 . 1 1 50 50 LEU CB C 50 38.906 38.906 42.082 -3.176 25973 1478 1 4 . 1 1 50 50 LEU H H 50 8.427 8.427 7.936 0.491 25973 1479 1 4 . 1 1 51 51 GLU N N 51 122.400 122.400 120.297 2.103 25973 1480 1 4 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.503 -0.079 25973 1481 1 4 . 1 1 51 51 GLU C C 51 173.730 173.730 177.554 -3.824 25973 1482 1 4 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.914 -3.093 25973 1483 1 4 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.605 -3.529 25973 1484 1 4 . 1 1 51 51 GLU H H 51 8.333 8.333 8.427 -0.094 25973 1485 1 4 . 1 1 52 52 ASP N N 52 119.615 119.615 123.151 -3.536 25973 1486 1 4 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.402 -0.143 25973 1487 1 4 . 1 1 52 52 ASP C C 52 173.507 173.507 177.402 -3.895 25973 1488 1 4 . 1 1 52 52 ASP CA C 52 53.536 53.536 56.395 -2.859 25973 1489 1 4 . 1 1 52 52 ASP CB C 52 36.441 36.441 40.391 -3.950 25973 1490 1 4 . 1 1 52 52 ASP H H 52 8.490 8.490 8.787 -0.297 25973 1491 1 4 . 1 1 53 53 GLY N N 53 104.158 104.158 107.516 -3.358 25973 1492 1 4 . 1 1 53 53 GLY C C 53 172.296 172.296 174.756 -2.460 25973 1493 1 4 . 1 1 53 53 GLY CA C 53 42.633 42.633 45.495 -2.861 25973 1494 1 4 . 1 1 53 53 GLY H H 53 8.622 8.622 8.131 0.491 25973 1495 1 4 . 1 1 54 54 ARG N N 54 119.010 119.010 119.733 -0.723 25973 1496 1 4 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.620 -0.152 25973 1497 1 4 . 1 1 54 54 ARG C C 54 172.237 172.237 175.311 -3.074 25973 1498 1 4 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.052 -3.305 25973 1499 1 4 . 1 1 54 54 ARG CB C 54 29.572 29.572 32.073 -2.501 25973 1500 1 4 . 1 1 54 54 ARG H H 54 7.397 7.397 7.863 -0.466 25973 1501 1 4 . 1 1 55 55 THR N N 55 106.762 106.762 112.855 -6.093 25973 1502 1 4 . 1 1 55 55 THR HA H 55 4.545 4.545 4.593 -0.048 25973 1503 1 4 . 1 1 55 55 THR C C 55 173.492 173.492 175.014 -1.522 25973 1504 1 4 . 1 1 55 55 THR CA C 55 57.122 57.122 60.195 -3.073 25973 1505 1 4 . 1 1 55 55 THR CB C 55 69.087 69.087 70.980 -1.893 25973 1506 1 4 . 1 1 55 55 THR H H 55 7.536 7.536 8.294 -0.758 25973 1507 1 4 . 1 1 56 56 LEU N N 56 119.096 119.096 119.868 -0.772 25973 1508 1 4 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.148 -0.186 25973 1509 1 4 . 1 1 56 56 LEU C C 56 178.169 178.169 179.014 -0.845 25973 1510 1 4 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.401 -1.125 25973 1511 1 4 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.659 -4.414 25973 1512 1 4 . 1 1 56 56 LEU H H 56 8.258 8.258 8.288 -0.030 25973 1513 1 4 . 1 1 57 57 SER N N 57 113.389 113.389 115.356 -1.967 25973 1514 1 4 . 1 1 57 57 SER HA H 57 4.180 4.180 4.191 -0.011 25973 1515 1 4 . 1 1 57 57 SER C C 57 175.491 175.491 176.454 -0.963 25973 1516 1 4 . 1 1 57 57 SER CA C 57 57.967 57.967 61.565 -3.598 25973 1517 1 4 . 1 1 57 57 SER CB C 57 59.730 59.730 62.368 -2.638 25973 1518 1 4 . 1 1 57 57 SER H H 57 8.484 8.484 8.325 0.159 25973 1519 1 4 . 1 1 58 58 ASP N N 58 122.795 122.795 121.420 1.375 25973 1520 1 4 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.446 -0.172 25973 1521 1 4 . 1 1 58 58 ASP C C 58 173.529 173.529 177.159 -3.630 25973 1522 1 4 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.314 -3.495 25973 1523 1 4 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.784 -6.124 25973 1524 1 4 . 1 1 58 58 ASP H H 58 7.893 7.893 7.690 0.203 25973 1525 1 4 . 1 1 59 59 TYR N N 59 116.135 116.135 118.215 -2.080 25973 1526 1 4 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.407 0.216 25973 1527 1 4 . 1 1 59 59 TYR C C 59 171.756 171.756 174.474 -2.718 25973 1528 1 4 . 1 1 59 59 TYR CA C 59 55.546 55.546 58.841 -3.295 25973 1529 1 4 . 1 1 59 59 TYR CB C 59 37.146 37.146 38.947 -1.801 25973 1530 1 4 . 1 1 59 59 TYR H H 59 7.243 7.243 7.543 -0.300 25973 1531 1 4 . 1 1 60 60 ASN N N 60 115.660 115.660 115.539 0.121 25973 1532 1 4 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.303 -0.022 25973 1533 1 4 . 1 1 60 60 ASN C C 60 171.419 171.419 174.537 -3.118 25973 1534 1 4 . 1 1 60 60 ASN CA C 60 51.470 51.470 53.622 -2.152 25973 1535 1 4 . 1 1 60 60 ASN CB C 60 34.647 34.647 35.831 -1.184 25973 1536 1 4 . 1 1 60 60 ASN H H 60 8.108 8.108 8.141 -0.033 25973 1537 1 4 . 1 1 61 61 ILE N N 61 118.591 118.591 119.957 -1.366 25973 1538 1 4 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.616 -0.357 25973 1539 1 4 . 1 1 61 61 ILE C C 61 171.673 171.673 176.123 -4.450 25973 1540 1 4 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.981 -3.244 25973 1541 1 4 . 1 1 61 61 ILE CB C 61 34.117 34.117 37.665 -3.548 25973 1542 1 4 . 1 1 61 61 ILE H H 61 7.031 7.031 8.045 -1.014 25973 1543 1 4 . 1 1 62 62 GLN N N 62 125.176 125.176 126.232 -1.056 25973 1544 1 4 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.552 -0.084 25973 1545 1 4 . 1 1 62 62 GLN C C 62 172.907 172.907 175.673 -2.766 25973 1546 1 4 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.640 -3.693 25973 1547 1 4 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.519 -1.219 25973 1548 1 4 . 1 1 62 62 GLN H H 62 7.645 7.645 8.416 -0.771 25973 1549 1 4 . 1 1 63 63 LYS N N 63 120.040 120.040 118.284 1.756 25973 1550 1 4 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.306 -0.396 25973 1551 1 4 . 1 1 63 63 LYS C C 63 173.589 173.589 176.881 -3.292 25973 1552 1 4 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.148 -0.856 25973 1553 1 4 . 1 1 63 63 LYS CB C 63 29.920 29.920 33.202 -3.282 25973 1554 1 4 . 1 1 63 63 LYS H H 63 8.416 8.416 8.370 0.046 25973 1555 1 4 . 1 1 64 64 GLU N N 64 113.699 113.699 114.766 -1.067 25973 1556 1 4 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.050 -0.534 25973 1557 1 4 . 1 1 64 64 GLU C C 64 172.267 172.267 175.991 -3.724 25973 1558 1 4 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.801 -3.086 25973 1559 1 4 . 1 1 64 64 GLU CB C 64 22.801 22.801 27.892 -5.091 25973 1560 1 4 . 1 1 64 64 GLU H H 64 9.180 9.180 8.480 0.700 25973 1561 1 4 . 1 1 65 65 SER N N 65 115.564 115.564 114.917 0.647 25973 1562 1 4 . 1 1 65 65 SER HA H 65 4.531 4.531 4.712 -0.181 25973 1563 1 4 . 1 1 65 65 SER C C 65 169.375 169.375 174.341 -4.966 25973 1564 1 4 . 1 1 65 65 SER CA C 65 58.422 58.422 58.681 -0.259 25973 1565 1 4 . 1 1 65 65 SER CB C 65 62.153 62.153 64.662 -2.509 25973 1566 1 4 . 1 1 65 65 SER H H 65 7.818 7.818 7.623 0.195 25973 1567 1 4 . 1 1 66 66 THR N N 66 117.311 117.311 122.162 -4.851 25973 1568 1 4 . 1 1 66 66 THR HA H 66 5.106 5.106 4.719 0.387 25973 1569 1 4 . 1 1 66 66 THR C C 66 171.057 171.057 174.181 -3.124 25973 1570 1 4 . 1 1 66 66 THR CA C 66 59.814 59.814 63.110 -3.296 25973 1571 1 4 . 1 1 66 66 THR CB C 66 67.491 67.491 69.045 -1.554 25973 1572 1 4 . 1 1 66 66 THR H H 66 8.704 8.704 8.771 -0.067 25973 1573 1 4 . 1 1 67 67 LEU N N 67 127.157 127.157 129.241 -2.084 25973 1574 1 4 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.754 0.197 25973 1575 1 4 . 1 1 67 67 LEU C C 67 173.090 173.090 175.555 -2.465 25973 1576 1 4 . 1 1 67 67 LEU CA C 67 51.708 51.708 53.948 -2.240 25973 1577 1 4 . 1 1 67 67 LEU CB C 67 41.391 41.391 45.382 -3.991 25973 1578 1 4 . 1 1 67 67 LEU H H 67 9.318 9.318 9.206 0.112 25973 1579 1 4 . 1 1 68 68 HIS N N 68 118.227 118.227 120.377 -2.150 25973 1580 1 4 . 1 1 68 68 HIS HA H 68 5.170 5.170 5.067 0.103 25973 1581 1 4 . 1 1 68 68 HIS C C 68 170.031 170.031 174.238 -4.207 25973 1582 1 4 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.756 -3.692 25973 1583 1 4 . 1 1 68 68 HIS CB C 68 27.536 27.536 30.641 -3.105 25973 1584 1 4 . 1 1 68 68 HIS H H 68 9.141 9.141 9.370 -0.229 25973 1585 1 4 . 1 1 69 69 LEU N N 69 124.847 124.847 126.576 -1.729 25973 1586 1 4 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.343 -0.235 25973 1587 1 4 . 1 1 69 69 LEU C C 69 172.304 172.304 175.111 -2.807 25973 1588 1 4 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.824 -2.178 25973 1589 1 4 . 1 1 69 69 LEU CB C 69 41.603 41.603 44.798 -3.195 25973 1590 1 4 . 1 1 69 69 LEU H H 69 8.332 8.332 8.505 -0.173 25973 1591 1 4 . 1 1 70 70 VAL N N 70 128.173 128.173 126.562 1.611 25973 1592 1 4 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.476 -0.026 25973 1593 1 4 . 1 1 70 70 VAL C C 70 177.746 177.746 174.394 3.352 25973 1594 1 4 . 1 1 70 70 VAL CA C 70 58.395 58.395 61.048 -2.653 25973 1595 1 4 . 1 1 70 70 VAL CB C 70 31.198 31.198 35.316 -4.118 25973 1596 1 4 . 1 1 70 70 VAL H H 70 9.159 9.159 8.970 0.189 25973 1597 1 4 . 1 1 71 71 LEU N N 71 124.557 124.557 125.333 -0.776 25973 1598 1 4 . 1 1 71 71 LEU HA H 71 4.922 4.922 5.017 -0.095 25973 1599 1 4 . 1 1 71 71 LEU C C 71 174.917 174.917 176.526 -1.609 25973 1600 1 4 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.407 -1.577 25973 1601 1 4 . 1 1 71 71 LEU CB C 71 39.997 39.997 42.521 -2.524 25973 1602 1 4 . 1 1 71 71 LEU H H 71 8.273 8.273 8.474 -0.201 25973 1603 1 4 . 1 1 72 72 ARG N N 72 123.440 123.440 126.389 -2.949 25973 1604 1 4 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.352 -0.103 25973 1605 1 4 . 1 1 72 72 ARG C C 72 172.657 172.657 175.834 -3.177 25973 1606 1 4 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.927 -3.181 25973 1607 1 4 . 1 1 72 72 ARG CB C 72 28.058 28.058 30.105 -2.047 25973 1608 1 4 . 1 1 72 72 ARG H H 72 8.532 8.532 8.670 -0.138 25973 1609 1 4 . 1 1 73 73 LEU N N 73 124.189 124.189 123.613 0.576 25973 1610 1 4 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.019 0.252 25973 1611 1 4 . 1 1 73 73 LEU C C 73 174.691 174.691 175.515 -0.824 25973 1612 1 4 . 1 1 73 73 LEU CA C 73 52.361 52.361 55.765 -3.404 25973 1613 1 4 . 1 1 73 73 LEU CB C 73 39.708 39.708 41.939 -2.231 25973 1614 1 4 . 1 1 73 73 LEU H H 73 8.289 8.289 8.397 -0.108 25973 1615 1 4 . 1 1 74 74 ARG N N 74 121.162 121.162 124.076 -2.914 25973 1616 1 4 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.228 0.019 25973 1617 1 4 . 1 1 74 74 ARG C C 74 173.901 173.901 176.385 -2.484 25973 1618 1 4 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.847 -2.222 25973 1619 1 4 . 1 1 74 74 ARG CB C 74 28.134 28.134 30.146 -2.012 25973 1620 1 4 . 1 1 74 74 ARG H H 74 8.268 8.268 8.341 -0.073 25973 1621 1 4 . 1 1 75 75 GLY N N 75 110.230 110.230 111.330 -1.100 25973 1622 1 4 . 1 1 75 75 GLY C C 75 171.504 171.504 173.443 -1.939 25973 1623 1 4 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.432 -2.028 25973 1624 1 4 . 1 1 75 75 GLY H H 75 8.367 8.367 8.779 -0.412 25973 1625 1 5 . 1 1 2 2 GLN N N 2 124.960 124.960 118.937 6.023 25973 1626 1 5 . 1 1 2 2 GLN HA H 2 5.089 5.089 4.014 1.075 25973 1627 1 5 . 1 1 2 2 GLN C C 2 172.479 172.479 173.632 -1.153 25973 1628 1 5 . 1 1 2 2 GLN CA C 2 52.320 52.320 56.801 -4.481 25973 1629 1 5 . 1 1 2 2 GLN CB C 2 28.181 28.181 27.690 0.491 25973 1630 1 5 . 1 1 2 2 GLN H H 2 8.807 8.807 8.326 0.481 25973 1631 1 5 . 1 1 3 3 ILE N N 3 116.556 116.556 116.590 -0.034 25973 1632 1 5 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.512 -0.334 25973 1633 1 5 . 1 1 3 3 ILE C C 3 169.813 169.813 173.479 -3.666 25973 1634 1 5 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.167 -2.546 25973 1635 1 5 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.539 -2.434 25973 1636 1 5 . 1 1 3 3 ILE H H 3 8.237 8.237 8.569 -0.332 25973 1637 1 5 . 1 1 4 4 PHE N N 4 118.417 118.417 120.906 -2.489 25973 1638 1 5 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.391 0.108 25973 1639 1 5 . 1 1 4 4 PHE C C 4 172.505 172.505 175.444 -2.939 25973 1640 1 5 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.281 -3.457 25973 1641 1 5 . 1 1 4 4 PHE CB C 4 38.890 38.890 41.388 -2.498 25973 1642 1 5 . 1 1 4 4 PHE H H 4 8.675 8.675 8.646 0.029 25973 1643 1 5 . 1 1 5 5 VAL N N 5 120.755 120.755 122.045 -1.290 25973 1644 1 5 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.489 0.098 25973 1645 1 5 . 1 1 5 5 VAL C C 5 172.070 172.070 174.499 -2.429 25973 1646 1 5 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.063 -2.943 25973 1647 1 5 . 1 1 5 5 VAL CB C 5 32.048 32.048 35.036 -2.988 25973 1648 1 5 . 1 1 5 5 VAL H H 5 9.190 9.190 8.961 0.229 25973 1649 1 5 . 1 1 6 6 LYS N N 6 127.964 127.964 128.135 -0.171 25973 1650 1 5 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.635 0.603 25973 1651 1 5 . 1 1 6 6 LYS C C 6 174.119 174.119 175.758 -1.639 25973 1652 1 5 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.547 -2.676 25973 1653 1 5 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.486 -1.818 25973 1654 1 5 . 1 1 6 6 LYS H H 6 8.758 8.758 9.144 -0.386 25973 1655 1 5 . 1 1 7 7 THR N N 7 115.618 115.618 119.752 -4.134 25973 1656 1 5 . 1 1 7 7 THR HA H 7 4.912 4.912 4.596 0.316 25973 1657 1 5 . 1 1 7 7 THR C C 7 173.994 173.994 176.397 -2.403 25973 1658 1 5 . 1 1 7 7 THR CA C 7 57.844 57.844 60.244 -2.400 25973 1659 1 5 . 1 1 7 7 THR CB C 7 68.137 68.137 70.268 -2.131 25973 1660 1 5 . 1 1 7 7 THR H H 7 8.573 8.573 8.193 0.380 25973 1661 1 5 . 1 1 8 8 LEU N N 8 122.083 122.083 120.568 1.515 25973 1662 1 5 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.324 -0.115 25973 1663 1 5 . 1 1 8 8 LEU C C 8 176.005 176.005 177.709 -1.704 25973 1664 1 5 . 1 1 8 8 LEU CA C 8 55.656 55.656 56.723 -1.067 25973 1665 1 5 . 1 1 8 8 LEU CB C 8 39.247 39.247 41.153 -1.906 25973 1666 1 5 . 1 1 8 8 LEU H H 8 9.034 9.034 8.700 0.334 25973 1667 1 5 . 1 1 9 9 THR N N 9 105.803 105.803 106.189 -0.386 25973 1668 1 5 . 1 1 9 9 THR HA H 9 4.503 4.503 4.348 0.155 25973 1669 1 5 . 1 1 9 9 THR C C 9 172.624 172.624 175.684 -3.060 25973 1670 1 5 . 1 1 9 9 THR CA C 9 58.961 58.961 61.731 -2.770 25973 1671 1 5 . 1 1 9 9 THR CB C 9 66.541 66.541 70.079 -3.538 25973 1672 1 5 . 1 1 9 9 THR H H 9 7.582 7.582 7.482 0.100 25973 1673 1 5 . 1 1 10 10 GLY N N 10 109.254 109.254 111.562 -2.308 25973 1674 1 5 . 1 1 10 10 GLY C C 10 171.405 171.405 174.322 -2.917 25973 1675 1 5 . 1 1 10 10 GLY CA C 10 42.653 42.653 44.953 -2.300 25973 1676 1 5 . 1 1 10 10 GLY H H 10 7.770 7.770 7.701 0.069 25973 1677 1 5 . 1 1 11 11 LYS N N 11 121.278 121.278 123.848 -2.570 25973 1678 1 5 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.094 0.214 25973 1679 1 5 . 1 1 11 11 LYS C C 11 173.489 173.489 175.817 -2.328 25973 1680 1 5 . 1 1 11 11 LYS CA C 11 53.385 53.385 57.148 -3.763 25973 1681 1 5 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.957 -2.785 25973 1682 1 5 . 1 1 11 11 LYS H H 11 7.313 7.313 7.558 -0.245 25973 1683 1 5 . 1 1 12 12 THR N N 12 120.644 120.644 122.195 -1.551 25973 1684 1 5 . 1 1 12 12 THR HA H 12 4.972 4.972 5.065 -0.093 25973 1685 1 5 . 1 1 12 12 THR C C 12 171.547 171.547 174.667 -3.120 25973 1686 1 5 . 1 1 12 12 THR CA C 12 59.880 59.880 62.827 -2.947 25973 1687 1 5 . 1 1 12 12 THR CB C 12 67.386 67.386 69.373 -1.987 25973 1688 1 5 . 1 1 12 12 THR H H 12 8.659 8.659 8.206 0.453 25973 1689 1 5 . 1 1 13 13 ILE N N 13 125.497 125.497 127.525 -2.028 25973 1690 1 5 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.499 0.039 25973 1691 1 5 . 1 1 13 13 ILE C C 13 172.300 172.300 175.505 -3.205 25973 1692 1 5 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.038 -2.924 25973 1693 1 5 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.411 -0.716 25973 1694 1 5 . 1 1 13 13 ILE H H 13 9.169 9.169 8.686 0.483 25973 1695 1 5 . 1 1 14 14 THR N N 14 120.078 120.078 123.172 -3.094 25973 1696 1 5 . 1 1 14 14 THR HA H 14 4.883 4.883 5.027 -0.144 25973 1697 1 5 . 1 1 14 14 THR C C 14 170.915 170.915 173.837 -2.922 25973 1698 1 5 . 1 1 14 14 THR CA C 14 58.998 58.998 61.806 -2.808 25973 1699 1 5 . 1 1 14 14 THR CB C 14 67.221 67.221 69.563 -2.342 25973 1700 1 5 . 1 1 14 14 THR H H 14 8.596 8.596 8.471 0.125 25973 1701 1 5 . 1 1 15 15 LEU N N 15 124.381 124.381 127.583 -3.202 25973 1702 1 5 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.725 0.031 25973 1703 1 5 . 1 1 15 15 LEU C C 15 172.377 172.377 175.074 -2.697 25973 1704 1 5 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.456 -3.454 25973 1705 1 5 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.521 -1.400 25973 1706 1 5 . 1 1 15 15 LEU H H 15 8.706 8.706 8.622 0.084 25973 1707 1 5 . 1 1 16 16 GLU N N 16 122.156 122.156 122.434 -0.278 25973 1708 1 5 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.661 0.191 25973 1709 1 5 . 1 1 16 16 GLU C C 16 172.785 172.785 174.671 -1.886 25973 1710 1 5 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.337 -3.620 25973 1711 1 5 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.857 -5.625 25973 1712 1 5 . 1 1 16 16 GLU H H 16 8.259 8.259 8.554 -0.295 25973 1713 1 5 . 1 1 17 17 VAL N N 17 115.706 115.706 119.280 -3.574 25973 1714 1 5 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.477 0.156 25973 1715 1 5 . 1 1 17 17 VAL C C 17 171.495 171.495 173.557 -2.062 25973 1716 1 5 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.408 -3.741 25973 1717 1 5 . 1 1 17 17 VAL CB C 17 33.215 33.215 35.112 -1.897 25973 1718 1 5 . 1 1 17 17 VAL H H 17 8.631 8.631 8.231 0.400 25973 1719 1 5 . 1 1 18 18 GLU N N 18 117.702 117.702 120.469 -2.767 25973 1720 1 5 . 1 1 18 18 GLU H H 18 7.705 7.705 9.346 -1.641 25973 1721 1 5 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.396 -0.359 25973 1722 1 5 . 1 1 19 19 PRO C C 19 172.411 172.411 176.144 -3.733 25973 1723 1 5 . 1 1 19 19 PRO CA C 19 62.565 62.565 64.224 -1.659 25973 1724 1 5 . 1 1 19 19 PRO CB C 19 29.354 29.354 31.888 -2.534 25973 1725 1 5 . 1 1 20 20 SER N N 20 104.376 104.376 112.034 -7.658 25973 1726 1 5 . 1 1 20 20 SER HA H 20 4.270 4.270 4.563 -0.293 25973 1727 1 5 . 1 1 20 20 SER C C 20 172.006 172.006 173.864 -1.858 25973 1728 1 5 . 1 1 20 20 SER CA C 20 54.697 54.697 57.167 -2.470 25973 1729 1 5 . 1 1 20 20 SER CB C 20 60.491 60.491 63.749 -3.258 25973 1730 1 5 . 1 1 20 20 SER H H 20 7.127 7.127 7.628 -0.501 25973 1731 1 5 . 1 1 21 21 ASP N N 21 121.646 121.646 122.995 -1.349 25973 1732 1 5 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.809 -0.095 25973 1733 1 5 . 1 1 21 21 ASP C C 21 172.786 172.786 175.637 -2.851 25973 1734 1 5 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.324 -2.888 25973 1735 1 5 . 1 1 21 21 ASP CB C 21 36.288 36.288 42.100 -5.812 25973 1736 1 5 . 1 1 21 21 ASP H H 21 7.890 7.890 7.806 0.084 25973 1737 1 5 . 1 1 22 22 THR N N 22 109.295 109.295 110.590 -1.295 25973 1738 1 5 . 1 1 22 22 THR HA H 22 4.833 4.833 4.534 0.299 25973 1739 1 5 . 1 1 22 22 THR C C 22 173.653 173.653 175.558 -1.905 25973 1740 1 5 . 1 1 22 22 THR CA C 22 57.439 57.439 60.234 -2.795 25973 1741 1 5 . 1 1 22 22 THR CB C 22 68.925 68.925 71.645 -2.720 25973 1742 1 5 . 1 1 22 22 THR H H 22 8.202 8.202 8.243 -0.041 25973 1743 1 5 . 1 1 23 23 ILE N N 23 121.424 121.424 123.036 -1.612 25973 1744 1 5 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.633 -0.037 25973 1745 1 5 . 1 1 23 23 ILE C C 23 176.250 176.250 177.336 -1.086 25973 1746 1 5 . 1 1 23 23 ILE CA C 23 59.208 59.208 64.631 -5.423 25973 1747 1 5 . 1 1 23 23 ILE CB C 23 31.692 31.692 37.615 -5.923 25973 1748 1 5 . 1 1 23 23 ILE H H 23 8.450 8.450 9.009 -0.559 25973 1749 1 5 . 1 1 24 24 GLU N N 24 120.359 120.359 119.490 0.869 25973 1750 1 5 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.924 -0.110 25973 1751 1 5 . 1 1 24 24 GLU C C 24 175.008 175.008 179.116 -4.108 25973 1752 1 5 . 1 1 24 24 GLU CA C 24 56.671 56.671 59.910 -3.239 25973 1753 1 5 . 1 1 24 24 GLU CB C 24 25.586 25.586 28.917 -3.331 25973 1754 1 5 . 1 1 24 24 GLU H H 24 8.802 8.802 8.504 0.298 25973 1755 1 5 . 1 1 25 25 ASN N N 25 119.035 119.035 118.064 0.971 25973 1756 1 5 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.532 -0.139 25973 1757 1 5 . 1 1 25 25 ASN C C 25 175.438 175.438 177.512 -2.074 25973 1758 1 5 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.020 -2.365 25973 1759 1 5 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.226 -1.957 25973 1760 1 5 . 1 1 25 25 ASN H H 25 7.928 7.928 8.351 -0.423 25973 1761 1 5 . 1 1 26 26 ALA N N 26 122.272 122.272 123.235 -0.963 25973 1762 1 5 . 1 1 26 26 ALA HA H 26 3.811 3.811 4.017 -0.206 25973 1763 1 5 . 1 1 26 26 ALA C C 26 176.256 176.256 179.615 -3.359 25973 1764 1 5 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.188 -2.142 25973 1765 1 5 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.316 -5.062 25973 1766 1 5 . 1 1 26 26 ALA H H 26 7.949 7.949 7.804 0.145 25973 1767 1 5 . 1 1 27 27 LYS N N 27 117.069 117.069 118.875 -1.806 25973 1768 1 5 . 1 1 27 27 LYS H H 27 8.469 8.469 8.418 0.051 25973 1769 1 5 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.043 0.026 25973 1770 1 5 . 1 1 28 28 ALA C C 28 177.699 177.699 179.648 -1.949 25973 1771 1 5 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.246 -2.679 25973 1772 1 5 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.279 -3.326 25973 1773 1 5 . 1 1 29 29 LYS N N 29 119.644 119.644 119.281 0.363 25973 1774 1 5 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.990 0.111 25973 1775 1 5 . 1 1 29 29 LYS C C 29 177.487 177.487 179.192 -1.705 25973 1776 1 5 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.463 -2.638 25973 1777 1 5 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.474 -2.252 25973 1778 1 5 . 1 1 29 29 LYS H H 29 7.726 7.726 7.458 0.268 25973 1779 1 5 . 1 1 30 30 ILE N N 30 121.905 121.905 120.324 1.581 25973 1780 1 5 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.680 0.502 25973 1781 1 5 . 1 1 30 30 ILE C C 30 175.724 175.724 177.541 -1.817 25973 1782 1 5 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.477 -1.932 25973 1783 1 5 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.864 -3.659 25973 1784 1 5 . 1 1 30 30 ILE H H 30 8.206 8.206 8.140 0.066 25973 1785 1 5 . 1 1 31 31 GLN N N 31 123.624 123.624 121.531 2.093 25973 1786 1 5 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.121 -0.385 25973 1787 1 5 . 1 1 31 31 GLN C C 31 176.118 176.118 178.302 -2.184 25973 1788 1 5 . 1 1 31 31 GLN CA C 31 57.098 57.098 58.957 -1.859 25973 1789 1 5 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.261 -2.711 25973 1790 1 5 . 1 1 31 31 GLN H H 31 8.597 8.597 8.522 0.075 25973 1791 1 5 . 1 1 32 32 ASP N N 32 118.441 118.441 118.112 0.329 25973 1792 1 5 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.474 -0.160 25973 1793 1 5 . 1 1 32 32 ASP C C 32 173.568 173.568 177.825 -4.257 25973 1794 1 5 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.144 -2.780 25973 1795 1 5 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.941 -5.788 25973 1796 1 5 . 1 1 32 32 ASP H H 32 7.994 7.994 8.091 -0.097 25973 1797 1 5 . 1 1 33 33 LYS N N 33 115.568 115.568 118.876 -3.308 25973 1798 1 5 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.303 -0.008 25973 1799 1 5 . 1 1 33 33 LYS C C 33 174.935 174.935 178.043 -3.108 25973 1800 1 5 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.787 -2.356 25973 1801 1 5 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.753 -1.940 25973 1802 1 5 . 1 1 33 33 LYS H H 33 7.383 7.383 7.546 -0.163 25973 1803 1 5 . 1 1 34 34 GLU N N 34 113.069 113.069 116.126 -3.057 25973 1804 1 5 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.441 0.178 25973 1805 1 5 . 1 1 34 34 GLU C C 34 174.551 174.551 177.266 -2.715 25973 1806 1 5 . 1 1 34 34 GLU CA C 34 52.222 52.222 55.860 -3.638 25973 1807 1 5 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.009 -1.096 25973 1808 1 5 . 1 1 34 34 GLU H H 34 8.697 8.697 8.422 0.275 25973 1809 1 5 . 1 1 35 35 GLY N N 35 108.734 108.734 109.107 -0.373 25973 1810 1 5 . 1 1 35 35 GLY C C 35 170.888 170.888 174.257 -3.369 25973 1811 1 5 . 1 1 35 35 GLY H H 35 8.564 8.564 8.032 0.532 25973 1812 1 5 . 1 1 36 36 ILE N N 36 116.747 116.747 120.974 -4.227 25973 1813 1 5 . 1 1 36 36 ILE H H 36 6.763 6.763 7.376 -0.613 25973 1814 1 5 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.307 -0.315 25973 1815 1 5 . 1 1 38 38 PRO C C 38 175.657 175.657 177.704 -2.047 25973 1816 1 5 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.356 -1.622 25973 1817 1 5 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.855 -1.696 25973 1818 1 5 . 1 1 39 39 ASP N N 39 113.150 113.150 116.498 -3.348 25973 1819 1 5 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.475 -0.070 25973 1820 1 5 . 1 1 39 39 ASP C C 39 173.637 173.637 177.044 -3.407 25973 1821 1 5 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.183 -4.220 25973 1822 1 5 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.657 -6.358 25973 1823 1 5 . 1 1 39 39 ASP H H 39 8.758 8.758 8.531 0.227 25973 1824 1 5 . 1 1 40 40 GLN N N 40 118.365 118.365 115.358 3.007 25973 1825 1 5 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.491 -0.090 25973 1826 1 5 . 1 1 40 40 GLN C C 40 172.173 172.173 174.982 -2.809 25973 1827 1 5 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.975 -3.049 25973 1828 1 5 . 1 1 40 40 GLN CB C 40 27.423 27.423 31.284 -3.861 25973 1829 1 5 . 1 1 40 40 GLN H H 40 7.949 7.949 7.406 0.543 25973 1830 1 5 . 1 1 41 41 GLN N N 41 117.813 117.813 119.403 -1.590 25973 1831 1 5 . 1 1 41 41 GLN C C 41 172.785 172.785 175.197 -2.412 25973 1832 1 5 . 1 1 41 41 GLN H H 41 7.490 7.490 7.376 0.114 25973 1833 1 5 . 1 1 42 42 ARG N N 42 115.761 115.761 125.106 -9.345 25973 1834 1 5 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.683 -0.256 25973 1835 1 5 . 1 1 42 42 ARG C C 42 171.412 171.412 174.183 -2.771 25973 1836 1 5 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.081 -2.769 25973 1837 1 5 . 1 1 42 42 ARG CB C 42 28.635 28.635 33.986 -5.351 25973 1838 1 5 . 1 1 42 42 ARG H H 42 8.631 8.631 8.933 -0.302 25973 1839 1 5 . 1 1 43 43 LEU N N 43 124.185 124.185 126.291 -2.106 25973 1840 1 5 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.935 0.359 25973 1841 1 5 . 1 1 43 43 LEU C C 43 172.374 172.374 175.900 -3.526 25973 1842 1 5 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.163 -3.309 25973 1843 1 5 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.671 -0.557 25973 1844 1 5 . 1 1 43 43 LEU H H 43 8.673 8.673 8.654 0.019 25973 1845 1 5 . 1 1 44 44 ILE N N 44 122.386 122.386 125.604 -3.218 25973 1846 1 5 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.386 0.533 25973 1847 1 5 . 1 1 44 44 ILE C C 44 173.248 173.248 173.911 -0.663 25973 1848 1 5 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.115 -3.688 25973 1849 1 5 . 1 1 44 44 ILE CB C 44 39.130 39.130 42.163 -3.033 25973 1850 1 5 . 1 1 44 44 ILE H H 44 8.970 8.970 9.262 -0.292 25973 1851 1 5 . 1 1 45 45 PHE N N 45 125.287 125.287 127.968 -2.681 25973 1852 1 5 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.619 0.336 25973 1853 1 5 . 1 1 45 45 PHE C C 45 171.645 171.645 173.960 -2.315 25973 1854 1 5 . 1 1 45 45 PHE CA C 45 54.395 54.395 57.343 -2.949 25973 1855 1 5 . 1 1 45 45 PHE CB C 45 41.282 41.282 41.711 -0.429 25973 1856 1 5 . 1 1 45 45 PHE H H 45 8.658 8.658 8.438 0.220 25973 1857 1 5 . 1 1 46 46 ALA N N 46 100.596 100.596 128.632 -28.036 25973 1858 1 5 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.553 0.073 25973 1859 1 5 . 1 1 46 46 ALA C C 46 174.527 174.527 177.031 -2.504 25973 1860 1 5 . 1 1 46 46 ALA CA C 46 49.877 49.877 51.741 -1.864 25973 1861 1 5 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.900 -4.033 25973 1862 1 5 . 1 1 46 46 ALA H H 46 8.687 8.687 7.784 0.903 25973 1863 1 5 . 1 1 47 47 GLY N N 47 102.825 102.825 109.202 -6.377 25973 1864 1 5 . 1 1 47 47 GLY C C 47 171.138 171.138 173.784 -2.646 25973 1865 1 5 . 1 1 47 47 GLY CA C 47 42.658 42.658 45.461 -2.803 25973 1866 1 5 . 1 1 47 47 GLY H H 47 8.193 8.193 8.278 -0.085 25973 1867 1 5 . 1 1 48 48 LYS N N 48 121.451 121.451 122.636 -1.185 25973 1868 1 5 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.633 -0.091 25973 1869 1 5 . 1 1 48 48 LYS C C 48 171.954 171.954 175.759 -3.805 25973 1870 1 5 . 1 1 48 48 LYS CA C 48 51.653 51.653 54.733 -3.080 25973 1871 1 5 . 1 1 48 48 LYS CB C 48 31.761 31.761 35.635 -3.874 25973 1872 1 5 . 1 1 48 48 LYS H H 48 7.888 7.888 7.764 0.124 25973 1873 1 5 . 1 1 49 49 GLN N N 49 121.884 121.884 118.966 2.918 25973 1874 1 5 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.514 -0.096 25973 1875 1 5 . 1 1 49 49 GLN C C 49 173.073 173.073 176.658 -3.585 25973 1876 1 5 . 1 1 49 49 GLN CA C 49 52.999 52.999 55.342 -2.343 25973 1877 1 5 . 1 1 49 49 GLN CB C 49 26.041 26.041 29.612 -3.571 25973 1878 1 5 . 1 1 49 49 GLN H H 49 8.521 8.521 8.547 -0.026 25973 1879 1 5 . 1 1 50 50 LEU N N 50 125.208 125.208 124.273 0.935 25973 1880 1 5 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.426 -0.480 25973 1881 1 5 . 1 1 50 50 LEU C C 50 173.823 173.823 176.595 -2.772 25973 1882 1 5 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.570 -2.988 25973 1883 1 5 . 1 1 50 50 LEU CB C 50 38.906 38.906 40.231 -1.325 25973 1884 1 5 . 1 1 50 50 LEU H H 50 8.427 8.427 8.506 -0.079 25973 1885 1 5 . 1 1 51 51 GLU N N 51 122.400 122.400 123.154 -0.754 25973 1886 1 5 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.445 -0.021 25973 1887 1 5 . 1 1 51 51 GLU C C 51 173.730 173.730 176.116 -2.386 25973 1888 1 5 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.926 -3.105 25973 1889 1 5 . 1 1 51 51 GLU CB C 51 27.076 27.076 31.164 -4.088 25973 1890 1 5 . 1 1 51 51 GLU H H 51 8.333 8.333 7.767 0.566 25973 1891 1 5 . 1 1 52 52 ASP N N 52 119.615 119.615 122.774 -3.159 25973 1892 1 5 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.518 -0.259 25973 1893 1 5 . 1 1 52 52 ASP C C 52 173.507 173.507 177.723 -4.216 25973 1894 1 5 . 1 1 52 52 ASP CA C 52 53.536 53.536 55.586 -2.050 25973 1895 1 5 . 1 1 52 52 ASP CB C 52 36.441 36.441 40.972 -4.531 25973 1896 1 5 . 1 1 52 52 ASP H H 52 8.490 8.490 8.649 -0.159 25973 1897 1 5 . 1 1 53 53 GLY N N 53 104.158 104.158 108.400 -4.242 25973 1898 1 5 . 1 1 53 53 GLY C C 53 172.296 172.296 175.187 -2.891 25973 1899 1 5 . 1 1 53 53 GLY CA C 53 42.633 42.633 45.926 -3.293 25973 1900 1 5 . 1 1 53 53 GLY H H 53 8.622 8.622 8.039 0.583 25973 1901 1 5 . 1 1 54 54 ARG N N 54 119.010 119.010 121.194 -2.184 25973 1902 1 5 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.486 -0.018 25973 1903 1 5 . 1 1 54 54 ARG C C 54 172.237 172.237 175.199 -2.962 25973 1904 1 5 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.717 -3.970 25973 1905 1 5 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.934 -2.362 25973 1906 1 5 . 1 1 54 54 ARG H H 54 7.397 7.397 7.910 -0.513 25973 1907 1 5 . 1 1 55 55 THR N N 55 106.762 106.762 111.421 -4.659 25973 1908 1 5 . 1 1 55 55 THR HA H 55 4.545 4.545 4.661 -0.116 25973 1909 1 5 . 1 1 55 55 THR C C 55 173.492 173.492 175.318 -1.826 25973 1910 1 5 . 1 1 55 55 THR CA C 55 57.122 57.122 60.120 -2.998 25973 1911 1 5 . 1 1 55 55 THR CB C 55 69.087 69.087 71.537 -2.450 25973 1912 1 5 . 1 1 55 55 THR H H 55 7.536 7.536 8.014 -0.478 25973 1913 1 5 . 1 1 56 56 LEU N N 56 119.096 119.096 119.652 -0.556 25973 1914 1 5 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.409 -0.447 25973 1915 1 5 . 1 1 56 56 LEU C C 56 178.169 178.169 178.851 -0.682 25973 1916 1 5 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.600 -1.324 25973 1917 1 5 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.817 -4.572 25973 1918 1 5 . 1 1 56 56 LEU H H 56 8.258 8.258 8.449 -0.191 25973 1919 1 5 . 1 1 57 57 SER N N 57 113.389 113.389 114.653 -1.264 25973 1920 1 5 . 1 1 57 57 SER HA H 57 4.180 4.180 4.238 -0.058 25973 1921 1 5 . 1 1 57 57 SER C C 57 175.491 175.491 176.194 -0.703 25973 1922 1 5 . 1 1 57 57 SER CA C 57 57.967 57.967 61.077 -3.110 25973 1923 1 5 . 1 1 57 57 SER CB C 57 59.730 59.730 62.352 -2.623 25973 1924 1 5 . 1 1 57 57 SER H H 57 8.484 8.484 8.046 0.438 25973 1925 1 5 . 1 1 58 58 ASP N N 58 122.795 122.795 121.914 0.881 25973 1926 1 5 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.420 -0.146 25973 1927 1 5 . 1 1 58 58 ASP C C 58 173.529 173.529 177.056 -3.527 25973 1928 1 5 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.162 -3.343 25973 1929 1 5 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.695 -6.035 25973 1930 1 5 . 1 1 58 58 ASP H H 58 7.893 7.893 7.684 0.209 25973 1931 1 5 . 1 1 59 59 TYR N N 59 116.135 116.135 117.042 -0.907 25973 1932 1 5 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.549 0.074 25973 1933 1 5 . 1 1 59 59 TYR C C 59 171.756 171.756 175.184 -3.428 25973 1934 1 5 . 1 1 59 59 TYR CA C 59 55.546 55.546 58.698 -3.152 25973 1935 1 5 . 1 1 59 59 TYR CB C 59 37.146 37.146 38.755 -1.609 25973 1936 1 5 . 1 1 59 59 TYR H H 59 7.243 7.243 7.417 -0.174 25973 1937 1 5 . 1 1 60 60 ASN N N 60 115.660 115.660 117.909 -2.249 25973 1938 1 5 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.344 -0.063 25973 1939 1 5 . 1 1 60 60 ASN C C 60 171.419 171.419 174.588 -3.169 25973 1940 1 5 . 1 1 60 60 ASN CA C 60 51.470 51.470 53.880 -2.410 25973 1941 1 5 . 1 1 60 60 ASN CB C 60 34.647 34.647 37.026 -2.379 25973 1942 1 5 . 1 1 60 60 ASN H H 60 8.108 8.108 8.058 0.050 25973 1943 1 5 . 1 1 61 61 ILE N N 61 118.591 118.591 118.116 0.475 25973 1944 1 5 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.589 -0.330 25973 1945 1 5 . 1 1 61 61 ILE C C 61 171.673 171.673 175.631 -3.958 25973 1946 1 5 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.532 -2.795 25973 1947 1 5 . 1 1 61 61 ILE CB C 61 34.117 34.117 36.708 -2.591 25973 1948 1 5 . 1 1 61 61 ILE H H 61 7.031 7.031 8.178 -1.147 25973 1949 1 5 . 1 1 62 62 GLN N N 62 125.176 125.176 126.010 -0.834 25973 1950 1 5 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.488 -0.020 25973 1951 1 5 . 1 1 62 62 GLN C C 62 172.907 172.907 175.946 -3.039 25973 1952 1 5 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.855 -3.908 25973 1953 1 5 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.549 -1.249 25973 1954 1 5 . 1 1 62 62 GLN H H 62 7.645 7.645 8.434 -0.789 25973 1955 1 5 . 1 1 63 63 LYS N N 63 120.040 120.040 119.671 0.369 25973 1956 1 5 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.195 -0.285 25973 1957 1 5 . 1 1 63 63 LYS C C 63 173.589 173.589 176.629 -3.040 25973 1958 1 5 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.797 -1.505 25973 1959 1 5 . 1 1 63 63 LYS CB C 63 29.920 29.920 32.631 -2.711 25973 1960 1 5 . 1 1 63 63 LYS H H 63 8.416 8.416 8.309 0.107 25973 1961 1 5 . 1 1 64 64 GLU N N 64 113.699 113.699 115.357 -1.658 25973 1962 1 5 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.053 -0.537 25973 1963 1 5 . 1 1 64 64 GLU C C 64 172.267 172.267 175.617 -3.350 25973 1964 1 5 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.725 -3.010 25973 1965 1 5 . 1 1 64 64 GLU CB C 64 22.801 22.801 27.657 -4.856 25973 1966 1 5 . 1 1 64 64 GLU H H 64 9.180 9.180 8.745 0.435 25973 1967 1 5 . 1 1 65 65 SER N N 65 115.564 115.564 114.397 1.167 25973 1968 1 5 . 1 1 65 65 SER HA H 65 4.531 4.531 4.738 -0.207 25973 1969 1 5 . 1 1 65 65 SER C C 65 169.375 169.375 174.084 -4.709 25973 1970 1 5 . 1 1 65 65 SER CA C 65 58.422 58.422 58.638 -0.216 25973 1971 1 5 . 1 1 65 65 SER CB C 65 62.153 62.153 65.318 -3.165 25973 1972 1 5 . 1 1 65 65 SER H H 65 7.818 7.818 7.641 0.177 25973 1973 1 5 . 1 1 66 66 THR N N 66 117.311 117.311 121.212 -3.901 25973 1974 1 5 . 1 1 66 66 THR HA H 66 5.106 5.106 4.824 0.282 25973 1975 1 5 . 1 1 66 66 THR C C 66 171.057 171.057 174.292 -3.235 25973 1976 1 5 . 1 1 66 66 THR CA C 66 59.814 59.814 62.786 -2.972 25973 1977 1 5 . 1 1 66 66 THR CB C 66 67.491 67.491 69.356 -1.865 25973 1978 1 5 . 1 1 66 66 THR H H 66 8.704 8.704 8.643 0.061 25973 1979 1 5 . 1 1 67 67 LEU N N 67 127.157 127.157 128.972 -1.815 25973 1980 1 5 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.786 0.165 25973 1981 1 5 . 1 1 67 67 LEU C C 67 173.090 173.090 175.954 -2.864 25973 1982 1 5 . 1 1 67 67 LEU CA C 67 51.708 51.708 54.342 -2.634 25973 1983 1 5 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.413 -3.022 25973 1984 1 5 . 1 1 67 67 LEU H H 67 9.318 9.318 9.047 0.271 25973 1985 1 5 . 1 1 68 68 HIS N N 68 118.227 118.227 121.218 -2.991 25973 1986 1 5 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.833 0.337 25973 1987 1 5 . 1 1 68 68 HIS C C 68 170.031 170.031 173.971 -3.940 25973 1988 1 5 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.059 -2.995 25973 1989 1 5 . 1 1 68 68 HIS CB C 68 27.536 27.536 29.664 -2.128 25973 1990 1 5 . 1 1 68 68 HIS H H 68 9.141 9.141 9.129 0.012 25973 1991 1 5 . 1 1 69 69 LEU N N 69 124.847 124.847 127.519 -2.672 25973 1992 1 5 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.231 -0.123 25973 1993 1 5 . 1 1 69 69 LEU C C 69 172.304 172.304 175.466 -3.162 25973 1994 1 5 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.744 -2.098 25973 1995 1 5 . 1 1 69 69 LEU CB C 69 41.603 41.603 43.273 -1.671 25973 1996 1 5 . 1 1 69 69 LEU H H 69 8.332 8.332 8.009 0.323 25973 1997 1 5 . 1 1 70 70 VAL N N 70 128.173 128.173 127.393 0.780 25973 1998 1 5 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.414 0.036 25973 1999 1 5 . 1 1 70 70 VAL C C 70 177.746 177.746 174.253 3.493 25973 2000 1 5 . 1 1 70 70 VAL CA C 70 58.395 58.395 60.722 -2.327 25973 2001 1 5 . 1 1 70 70 VAL CB C 70 31.198 31.198 34.973 -3.775 25973 2002 1 5 . 1 1 70 70 VAL H H 70 9.159 9.159 9.181 -0.022 25973 2003 1 5 . 1 1 71 71 LEU N N 71 124.557 124.557 123.999 0.558 25973 2004 1 5 . 1 1 71 71 LEU HA H 71 4.922 4.922 5.038 -0.116 25973 2005 1 5 . 1 1 71 71 LEU C C 71 174.917 174.917 176.799 -1.882 25973 2006 1 5 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.584 -1.754 25973 2007 1 5 . 1 1 71 71 LEU CB C 71 39.997 39.997 44.632 -4.635 25973 2008 1 5 . 1 1 71 71 LEU H H 71 8.273 8.273 8.462 -0.189 25973 2009 1 5 . 1 1 72 72 ARG N N 72 123.440 123.440 124.060 -0.620 25973 2010 1 5 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.644 -0.395 25973 2011 1 5 . 1 1 72 72 ARG C C 72 172.657 172.657 174.871 -2.214 25973 2012 1 5 . 1 1 72 72 ARG CA C 72 52.746 52.746 54.993 -2.247 25973 2013 1 5 . 1 1 72 72 ARG CB C 72 28.058 28.058 29.959 -1.901 25973 2014 1 5 . 1 1 72 72 ARG H H 72 8.532 8.532 8.232 0.300 25973 2015 1 5 . 1 1 73 73 LEU N N 73 124.189 124.189 124.990 -0.801 25973 2016 1 5 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.440 -0.169 25973 2017 1 5 . 1 1 73 73 LEU C C 73 174.691 174.691 175.666 -0.975 25973 2018 1 5 . 1 1 73 73 LEU CA C 73 52.361 52.361 55.498 -3.136 25973 2019 1 5 . 1 1 73 73 LEU CB C 73 39.708 39.708 45.148 -5.440 25973 2020 1 5 . 1 1 73 73 LEU H H 73 8.289 8.289 8.326 -0.037 25973 2021 1 5 . 1 1 74 74 ARG N N 74 121.162 121.162 124.157 -2.995 25973 2022 1 5 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.841 -0.594 25973 2023 1 5 . 1 1 74 74 ARG C C 74 173.901 173.901 176.637 -2.736 25973 2024 1 5 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.569 -1.944 25973 2025 1 5 . 1 1 74 74 ARG CB C 74 28.134 28.134 31.216 -3.082 25973 2026 1 5 . 1 1 74 74 ARG H H 74 8.268 8.268 8.568 -0.300 25973 2027 1 5 . 1 1 75 75 GLY N N 75 110.230 110.230 109.887 0.343 25973 2028 1 5 . 1 1 75 75 GLY C C 75 171.504 171.504 174.213 -2.709 25973 2029 1 5 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.498 -2.094 25973 2030 1 5 . 1 1 75 75 GLY H H 75 8.367 8.367 8.522 -0.155 25973 2031 1 6 . 1 1 2 2 GLN N N 2 124.960 124.960 120.765 4.195 25973 2032 1 6 . 1 1 2 2 GLN HA H 2 5.089 5.089 5.142 -0.053 25973 2033 1 6 . 1 1 2 2 GLN C C 2 172.479 172.479 175.059 -2.580 25973 2034 1 6 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.642 -2.322 25973 2035 1 6 . 1 1 2 2 GLN CB C 2 28.181 28.181 31.624 -3.443 25973 2036 1 6 . 1 1 2 2 GLN H H 2 8.807 8.807 8.169 0.638 25973 2037 1 6 . 1 1 3 3 ILE N N 3 116.556 116.556 114.355 2.201 25973 2038 1 6 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.371 -0.193 25973 2039 1 6 . 1 1 3 3 ILE C C 3 169.813 169.813 173.671 -3.858 25973 2040 1 6 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.739 -3.118 25973 2041 1 6 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.767 -2.662 25973 2042 1 6 . 1 1 3 3 ILE H H 3 8.237 8.237 8.293 -0.056 25973 2043 1 6 . 1 1 4 4 PHE N N 4 118.417 118.417 120.127 -1.710 25973 2044 1 6 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.368 0.131 25973 2045 1 6 . 1 1 4 4 PHE C C 4 172.505 172.505 175.258 -2.753 25973 2046 1 6 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.017 -3.193 25973 2047 1 6 . 1 1 4 4 PHE CB C 4 38.890 38.890 41.880 -2.990 25973 2048 1 6 . 1 1 4 4 PHE H H 4 8.675 8.675 8.517 0.158 25973 2049 1 6 . 1 1 5 5 VAL N N 5 120.755 120.755 121.658 -0.903 25973 2050 1 6 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.600 -0.013 25973 2051 1 6 . 1 1 5 5 VAL C C 5 172.070 172.070 174.497 -2.427 25973 2052 1 6 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.349 -3.228 25973 2053 1 6 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.977 -2.929 25973 2054 1 6 . 1 1 5 5 VAL H H 5 9.190 9.190 9.278 -0.088 25973 2055 1 6 . 1 1 6 6 LYS N N 6 127.964 127.964 128.798 -0.834 25973 2056 1 6 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.737 0.501 25973 2057 1 6 . 1 1 6 6 LYS C C 6 174.119 174.119 176.040 -1.921 25973 2058 1 6 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.822 -2.951 25973 2059 1 6 . 1 1 6 6 LYS CB C 6 32.668 32.668 35.096 -2.428 25973 2060 1 6 . 1 1 6 6 LYS H H 6 8.758 8.758 9.195 -0.437 25973 2061 1 6 . 1 1 7 7 THR N N 7 115.618 115.618 119.272 -3.654 25973 2062 1 6 . 1 1 7 7 THR HA H 7 4.912 4.912 4.754 0.158 25973 2063 1 6 . 1 1 7 7 THR C C 7 173.994 173.994 176.740 -2.746 25973 2064 1 6 . 1 1 7 7 THR CA C 7 57.844 57.844 59.953 -2.109 25973 2065 1 6 . 1 1 7 7 THR CB C 7 68.137 68.137 70.292 -2.155 25973 2066 1 6 . 1 1 7 7 THR H H 7 8.573 8.573 8.118 0.455 25973 2067 1 6 . 1 1 8 8 LEU N N 8 122.083 122.083 118.669 3.414 25973 2068 1 6 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.362 -0.153 25973 2069 1 6 . 1 1 8 8 LEU C C 8 176.005 176.005 177.657 -1.652 25973 2070 1 6 . 1 1 8 8 LEU CA C 8 55.656 55.656 56.450 -0.794 25973 2071 1 6 . 1 1 8 8 LEU CB C 8 39.247 39.247 41.878 -2.631 25973 2072 1 6 . 1 1 8 8 LEU H H 8 9.034 9.034 8.476 0.558 25973 2073 1 6 . 1 1 9 9 THR N N 9 105.803 105.803 109.706 -3.903 25973 2074 1 6 . 1 1 9 9 THR HA H 9 4.503 4.503 4.366 0.137 25973 2075 1 6 . 1 1 9 9 THR C C 9 172.624 172.624 175.504 -2.880 25973 2076 1 6 . 1 1 9 9 THR CA C 9 58.961 58.961 61.812 -2.851 25973 2077 1 6 . 1 1 9 9 THR CB C 9 66.541 66.541 69.858 -3.317 25973 2078 1 6 . 1 1 9 9 THR H H 9 7.582 7.582 7.616 -0.034 25973 2079 1 6 . 1 1 10 10 GLY N N 10 109.254 109.254 110.907 -1.653 25973 2080 1 6 . 1 1 10 10 GLY C C 10 171.405 171.405 173.794 -2.389 25973 2081 1 6 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.124 -2.471 25973 2082 1 6 . 1 1 10 10 GLY H H 10 7.770 7.770 7.483 0.287 25973 2083 1 6 . 1 1 11 11 LYS N N 11 121.278 121.278 123.459 -2.181 25973 2084 1 6 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.106 0.202 25973 2085 1 6 . 1 1 11 11 LYS C C 11 173.489 173.489 175.790 -2.301 25973 2086 1 6 . 1 1 11 11 LYS CA C 11 53.385 53.385 57.264 -3.879 25973 2087 1 6 . 1 1 11 11 LYS CB C 11 30.172 30.172 33.002 -2.829 25973 2088 1 6 . 1 1 11 11 LYS H H 11 7.313 7.313 7.530 -0.217 25973 2089 1 6 . 1 1 12 12 THR N N 12 120.644 120.644 121.994 -1.350 25973 2090 1 6 . 1 1 12 12 THR HA H 12 4.972 4.972 5.100 -0.128 25973 2091 1 6 . 1 1 12 12 THR C C 12 171.547 171.547 174.498 -2.951 25973 2092 1 6 . 1 1 12 12 THR CA C 12 59.880 59.880 62.484 -2.604 25973 2093 1 6 . 1 1 12 12 THR CB C 12 67.386 67.386 69.475 -2.089 25973 2094 1 6 . 1 1 12 12 THR H H 12 8.659 8.659 8.248 0.411 25973 2095 1 6 . 1 1 13 13 ILE N N 13 125.497 125.497 127.237 -1.740 25973 2096 1 6 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.517 0.021 25973 2097 1 6 . 1 1 13 13 ILE C C 13 172.300 172.300 175.504 -3.204 25973 2098 1 6 . 1 1 13 13 ILE CA C 13 57.114 57.114 59.973 -2.859 25973 2099 1 6 . 1 1 13 13 ILE CB C 13 38.695 38.695 40.032 -1.337 25973 2100 1 6 . 1 1 13 13 ILE H H 13 9.169 9.169 9.019 0.150 25973 2101 1 6 . 1 1 14 14 THR N N 14 120.078 120.078 122.409 -2.331 25973 2102 1 6 . 1 1 14 14 THR HA H 14 4.883 4.883 5.026 -0.143 25973 2103 1 6 . 1 1 14 14 THR C C 14 170.915 170.915 173.868 -2.953 25973 2104 1 6 . 1 1 14 14 THR CA C 14 58.998 58.998 61.697 -2.699 25973 2105 1 6 . 1 1 14 14 THR CB C 14 67.221 67.221 69.609 -2.388 25973 2106 1 6 . 1 1 14 14 THR H H 14 8.596 8.596 8.421 0.175 25973 2107 1 6 . 1 1 15 15 LEU N N 15 124.381 124.381 128.719 -4.338 25973 2108 1 6 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.707 0.049 25973 2109 1 6 . 1 1 15 15 LEU C C 15 172.377 172.377 175.385 -3.008 25973 2110 1 6 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.450 -3.449 25973 2111 1 6 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.333 -1.212 25973 2112 1 6 . 1 1 15 15 LEU H H 15 8.706 8.706 8.444 0.262 25973 2113 1 6 . 1 1 16 16 GLU N N 16 122.156 122.156 121.537 0.619 25973 2114 1 6 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.582 0.270 25973 2115 1 6 . 1 1 16 16 GLU C C 16 172.785 172.785 175.648 -2.863 25973 2116 1 6 . 1 1 16 16 GLU CA C 16 51.717 51.717 56.329 -4.612 25973 2117 1 6 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.598 -5.366 25973 2118 1 6 . 1 1 16 16 GLU H H 16 8.259 8.259 8.538 -0.279 25973 2119 1 6 . 1 1 17 17 VAL N N 17 115.706 115.706 118.377 -2.671 25973 2120 1 6 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.549 0.084 25973 2121 1 6 . 1 1 17 17 VAL C C 17 171.495 171.495 174.482 -2.987 25973 2122 1 6 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.326 -3.659 25973 2123 1 6 . 1 1 17 17 VAL CB C 17 33.215 33.215 35.288 -2.073 25973 2124 1 6 . 1 1 17 17 VAL H H 17 8.631 8.631 8.055 0.576 25973 2125 1 6 . 1 1 18 18 GLU N N 18 117.702 117.702 120.012 -2.310 25973 2126 1 6 . 1 1 18 18 GLU H H 18 7.705 7.705 8.218 -0.513 25973 2127 1 6 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.391 -0.354 25973 2128 1 6 . 1 1 19 19 PRO C C 19 172.411 172.411 176.221 -3.810 25973 2129 1 6 . 1 1 19 19 PRO CA C 19 62.565 62.565 63.852 -1.287 25973 2130 1 6 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.097 -2.743 25973 2131 1 6 . 1 1 20 20 SER N N 20 104.376 104.376 112.840 -8.464 25973 2132 1 6 . 1 1 20 20 SER HA H 20 4.270 4.270 4.464 -0.194 25973 2133 1 6 . 1 1 20 20 SER C C 20 172.006 172.006 173.784 -1.778 25973 2134 1 6 . 1 1 20 20 SER CA C 20 54.697 54.697 57.439 -2.742 25973 2135 1 6 . 1 1 20 20 SER CB C 20 60.491 60.491 64.181 -3.690 25973 2136 1 6 . 1 1 20 20 SER H H 20 7.127 7.127 7.897 -0.770 25973 2137 1 6 . 1 1 21 21 ASP N N 21 121.646 121.646 122.911 -1.265 25973 2138 1 6 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.646 0.068 25973 2139 1 6 . 1 1 21 21 ASP C C 21 172.786 172.786 176.114 -3.328 25973 2140 1 6 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.728 -3.292 25973 2141 1 6 . 1 1 21 21 ASP CB C 21 36.288 36.288 41.133 -4.845 25973 2142 1 6 . 1 1 21 21 ASP H H 21 7.890 7.890 8.070 -0.180 25973 2143 1 6 . 1 1 22 22 THR N N 22 109.295 109.295 110.631 -1.336 25973 2144 1 6 . 1 1 22 22 THR HA H 22 4.833 4.833 4.440 0.393 25973 2145 1 6 . 1 1 22 22 THR C C 22 173.653 173.653 176.329 -2.676 25973 2146 1 6 . 1 1 22 22 THR CA C 22 57.439 57.439 60.275 -2.836 25973 2147 1 6 . 1 1 22 22 THR CB C 22 68.925 68.925 71.209 -2.284 25973 2148 1 6 . 1 1 22 22 THR H H 22 8.202 8.202 8.016 0.186 25973 2149 1 6 . 1 1 23 23 ILE N N 23 121.424 121.424 122.890 -1.466 25973 2150 1 6 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.845 -0.249 25973 2151 1 6 . 1 1 23 23 ILE C C 23 176.250 176.250 177.625 -1.375 25973 2152 1 6 . 1 1 23 23 ILE CA C 23 59.208 59.208 62.690 -3.482 25973 2153 1 6 . 1 1 23 23 ILE CB C 23 31.692 31.692 36.507 -4.814 25973 2154 1 6 . 1 1 23 23 ILE H H 23 8.450 8.450 8.758 -0.308 25973 2155 1 6 . 1 1 24 24 GLU N N 24 120.359 120.359 120.615 -0.256 25973 2156 1 6 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.943 -0.129 25973 2157 1 6 . 1 1 24 24 GLU C C 24 175.008 175.008 178.911 -3.903 25973 2158 1 6 . 1 1 24 24 GLU CA C 24 56.671 56.671 59.659 -2.988 25973 2159 1 6 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.284 -3.698 25973 2160 1 6 . 1 1 24 24 GLU H H 24 8.802 8.802 7.997 0.805 25973 2161 1 6 . 1 1 25 25 ASN N N 25 119.035 119.035 117.955 1.080 25973 2162 1 6 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.504 -0.111 25973 2163 1 6 . 1 1 25 25 ASN C C 25 175.438 175.438 177.262 -1.824 25973 2164 1 6 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.244 -2.589 25973 2165 1 6 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.431 -2.162 25973 2166 1 6 . 1 1 25 25 ASN H H 25 7.928 7.928 8.014 -0.086 25973 2167 1 6 . 1 1 26 26 ALA N N 26 122.272 122.272 123.173 -0.901 25973 2168 1 6 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.909 -0.098 25973 2169 1 6 . 1 1 26 26 ALA C C 26 176.256 176.256 179.442 -3.186 25973 2170 1 6 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.230 -2.184 25973 2171 1 6 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.446 -5.192 25973 2172 1 6 . 1 1 26 26 ALA H H 26 7.949 7.949 7.503 0.446 25973 2173 1 6 . 1 1 27 27 LYS N N 27 117.069 117.069 118.541 -1.472 25973 2174 1 6 . 1 1 27 27 LYS H H 27 8.469 8.469 8.078 0.391 25973 2175 1 6 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.084 -0.015 25973 2176 1 6 . 1 1 28 28 ALA C C 28 177.699 177.699 179.364 -1.665 25973 2177 1 6 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.051 -2.484 25973 2178 1 6 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.311 -3.358 25973 2179 1 6 . 1 1 29 29 LYS N N 29 119.644 119.644 119.730 -0.086 25973 2180 1 6 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.996 0.105 25973 2181 1 6 . 1 1 29 29 LYS C C 29 177.487 177.487 179.048 -1.561 25973 2182 1 6 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.467 -2.642 25973 2183 1 6 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.455 -2.233 25973 2184 1 6 . 1 1 29 29 LYS H H 29 7.726 7.726 7.550 0.176 25973 2185 1 6 . 1 1 30 30 ILE N N 30 121.905 121.905 119.928 1.977 25973 2186 1 6 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.661 0.521 25973 2187 1 6 . 1 1 30 30 ILE C C 30 175.724 175.724 177.440 -1.716 25973 2188 1 6 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.736 -2.191 25973 2189 1 6 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.946 -3.741 25973 2190 1 6 . 1 1 30 30 ILE H H 30 8.206 8.206 7.788 0.418 25973 2191 1 6 . 1 1 31 31 GLN N N 31 123.624 123.624 121.215 2.409 25973 2192 1 6 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.144 -0.408 25973 2193 1 6 . 1 1 31 31 GLN C C 31 176.118 176.118 178.407 -2.289 25973 2194 1 6 . 1 1 31 31 GLN CA C 31 57.098 57.098 58.974 -1.876 25973 2195 1 6 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.137 -2.587 25973 2196 1 6 . 1 1 31 31 GLN H H 31 8.597 8.597 7.900 0.697 25973 2197 1 6 . 1 1 32 32 ASP N N 32 118.441 118.441 118.567 -0.126 25973 2198 1 6 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.511 -0.197 25973 2199 1 6 . 1 1 32 32 ASP C C 32 173.568 173.568 177.938 -4.370 25973 2200 1 6 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.019 -2.655 25973 2201 1 6 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.875 -5.722 25973 2202 1 6 . 1 1 32 32 ASP H H 32 7.994 7.994 7.984 0.011 25973 2203 1 6 . 1 1 33 33 LYS N N 33 115.568 115.568 118.747 -3.179 25973 2204 1 6 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.308 -0.013 25973 2205 1 6 . 1 1 33 33 LYS C C 33 174.935 174.935 178.050 -3.115 25973 2206 1 6 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.782 -2.351 25973 2207 1 6 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.701 -1.888 25973 2208 1 6 . 1 1 33 33 LYS H H 33 7.383 7.383 7.636 -0.253 25973 2209 1 6 . 1 1 34 34 GLU N N 34 113.069 113.069 116.124 -3.055 25973 2210 1 6 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.434 0.185 25973 2211 1 6 . 1 1 34 34 GLU C C 34 174.551 174.551 177.460 -2.909 25973 2212 1 6 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.103 -3.881 25973 2213 1 6 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.237 -1.324 25973 2214 1 6 . 1 1 34 34 GLU H H 34 8.697 8.697 8.430 0.267 25973 2215 1 6 . 1 1 35 35 GLY N N 35 108.734 108.734 107.859 0.875 25973 2216 1 6 . 1 1 35 35 GLY C C 35 170.888 170.888 174.513 -3.625 25973 2217 1 6 . 1 1 35 35 GLY H H 35 8.564 8.564 8.259 0.305 25973 2218 1 6 . 1 1 36 36 ILE N N 36 116.747 116.747 123.261 -6.514 25973 2219 1 6 . 1 1 36 36 ILE H H 36 6.763 6.763 7.733 -0.970 25973 2220 1 6 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.270 -0.278 25973 2221 1 6 . 1 1 38 38 PRO C C 38 175.657 175.657 178.377 -2.720 25973 2222 1 6 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.375 -1.641 25973 2223 1 6 . 1 1 38 38 PRO CB C 38 30.159 30.159 32.042 -1.883 25973 2224 1 6 . 1 1 39 39 ASP N N 39 113.150 113.150 118.202 -5.052 25973 2225 1 6 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.397 0.008 25973 2226 1 6 . 1 1 39 39 ASP C C 39 173.637 173.637 176.531 -2.894 25973 2227 1 6 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.206 -4.243 25973 2228 1 6 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.428 -6.129 25973 2229 1 6 . 1 1 39 39 ASP H H 39 8.758 8.758 8.544 0.214 25973 2230 1 6 . 1 1 40 40 GLN N N 40 118.365 118.365 116.541 1.824 25973 2231 1 6 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.557 -0.156 25973 2232 1 6 . 1 1 40 40 GLN C C 40 172.173 172.173 175.451 -3.278 25973 2233 1 6 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.709 -2.783 25973 2234 1 6 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.073 -1.650 25973 2235 1 6 . 1 1 40 40 GLN H H 40 7.949 7.949 7.398 0.551 25973 2236 1 6 . 1 1 41 41 GLN N N 41 117.813 117.813 119.124 -1.311 25973 2237 1 6 . 1 1 41 41 GLN C C 41 172.785 172.785 175.554 -2.769 25973 2238 1 6 . 1 1 41 41 GLN H H 41 7.490 7.490 7.556 -0.066 25973 2239 1 6 . 1 1 42 42 ARG N N 42 115.761 115.761 124.563 -8.802 25973 2240 1 6 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.618 -0.191 25973 2241 1 6 . 1 1 42 42 ARG C C 42 171.412 171.412 174.017 -2.605 25973 2242 1 6 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.008 -2.696 25973 2243 1 6 . 1 1 42 42 ARG CB C 42 28.635 28.635 32.803 -4.168 25973 2244 1 6 . 1 1 42 42 ARG H H 42 8.631 8.631 8.420 0.211 25973 2245 1 6 . 1 1 43 43 LEU N N 43 124.185 124.185 127.112 -2.927 25973 2246 1 6 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.852 0.442 25973 2247 1 6 . 1 1 43 43 LEU C C 43 172.374 172.374 176.050 -3.676 25973 2248 1 6 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.392 -3.538 25973 2249 1 6 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.508 -0.395 25973 2250 1 6 . 1 1 43 43 LEU H H 43 8.673 8.673 8.632 0.041 25973 2251 1 6 . 1 1 44 44 ILE N N 44 122.386 122.386 127.683 -5.297 25973 2252 1 6 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.510 0.409 25973 2253 1 6 . 1 1 44 44 ILE C C 44 173.248 173.248 174.209 -0.961 25973 2254 1 6 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.098 -3.671 25973 2255 1 6 . 1 1 44 44 ILE CB C 44 39.130 39.130 41.248 -2.118 25973 2256 1 6 . 1 1 44 44 ILE H H 44 8.970 8.970 8.664 0.306 25973 2257 1 6 . 1 1 45 45 PHE N N 45 125.287 125.287 127.551 -2.264 25973 2258 1 6 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.727 0.228 25973 2259 1 6 . 1 1 45 45 PHE C C 45 171.645 171.645 174.087 -2.442 25973 2260 1 6 . 1 1 45 45 PHE CA C 45 54.395 54.395 58.513 -4.118 25973 2261 1 6 . 1 1 45 45 PHE CB C 45 41.282 41.282 41.468 -0.186 25973 2262 1 6 . 1 1 45 45 PHE H H 45 8.658 8.658 8.542 0.116 25973 2263 1 6 . 1 1 46 46 ALA N N 46 100.596 100.596 127.367 -26.771 25973 2264 1 6 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.506 0.120 25973 2265 1 6 . 1 1 46 46 ALA C C 46 174.527 174.527 177.057 -2.530 25973 2266 1 6 . 1 1 46 46 ALA CA C 46 49.877 49.877 51.859 -1.982 25973 2267 1 6 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.170 -3.303 25973 2268 1 6 . 1 1 46 46 ALA H H 46 8.687 8.687 7.997 0.690 25973 2269 1 6 . 1 1 47 47 GLY N N 47 102.825 102.825 105.351 -2.526 25973 2270 1 6 . 1 1 47 47 GLY C C 47 171.138 171.138 173.855 -2.717 25973 2271 1 6 . 1 1 47 47 GLY CA C 47 42.658 42.658 44.543 -1.885 25973 2272 1 6 . 1 1 47 47 GLY H H 47 8.193 8.193 7.748 0.445 25973 2273 1 6 . 1 1 48 48 LYS N N 48 121.451 121.451 122.510 -1.059 25973 2274 1 6 . 1 1 48 48 LYS HA H 48 4.542 4.542 3.975 0.567 25973 2275 1 6 . 1 1 48 48 LYS C C 48 171.954 171.954 176.000 -4.046 25973 2276 1 6 . 1 1 48 48 LYS CA C 48 51.653 51.653 56.887 -5.234 25973 2277 1 6 . 1 1 48 48 LYS CB C 48 31.761 31.761 31.323 0.438 25973 2278 1 6 . 1 1 48 48 LYS H H 48 7.888 7.888 8.390 -0.502 25973 2279 1 6 . 1 1 49 49 GLN N N 49 121.884 121.884 122.202 -0.318 25973 2280 1 6 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.399 0.019 25973 2281 1 6 . 1 1 49 49 GLN C C 49 173.073 173.073 174.920 -1.847 25973 2282 1 6 . 1 1 49 49 GLN CA C 49 52.999 52.999 55.419 -2.420 25973 2283 1 6 . 1 1 49 49 GLN CB C 49 26.041 26.041 30.368 -4.327 25973 2284 1 6 . 1 1 49 49 GLN H H 49 8.521 8.521 8.065 0.456 25973 2285 1 6 . 1 1 50 50 LEU N N 50 125.208 125.208 124.674 0.534 25973 2286 1 6 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.023 -0.077 25973 2287 1 6 . 1 1 50 50 LEU C C 50 173.823 173.823 176.040 -2.217 25973 2288 1 6 . 1 1 50 50 LEU CA C 50 51.582 51.582 55.140 -3.558 25973 2289 1 6 . 1 1 50 50 LEU CB C 50 38.906 38.906 41.119 -2.213 25973 2290 1 6 . 1 1 50 50 LEU H H 50 8.427 8.427 8.556 -0.129 25973 2291 1 6 . 1 1 51 51 GLU N N 51 122.400 122.400 120.602 1.798 25973 2292 1 6 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.447 -0.023 25973 2293 1 6 . 1 1 51 51 GLU C C 51 173.730 173.730 177.190 -3.460 25973 2294 1 6 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.686 -2.865 25973 2295 1 6 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.519 -3.443 25973 2296 1 6 . 1 1 51 51 GLU H H 51 8.333 8.333 8.003 0.330 25973 2297 1 6 . 1 1 52 52 ASP N N 52 119.615 119.615 122.116 -2.501 25973 2298 1 6 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.473 -0.214 25973 2299 1 6 . 1 1 52 52 ASP C C 52 173.507 173.507 176.903 -3.396 25973 2300 1 6 . 1 1 52 52 ASP CA C 52 53.536 53.536 55.535 -1.999 25973 2301 1 6 . 1 1 52 52 ASP CB C 52 36.441 36.441 41.062 -4.621 25973 2302 1 6 . 1 1 52 52 ASP H H 52 8.490 8.490 8.745 -0.255 25973 2303 1 6 . 1 1 53 53 GLY N N 53 104.158 104.158 105.103 -0.945 25973 2304 1 6 . 1 1 53 53 GLY C C 53 172.296 172.296 174.421 -2.125 25973 2305 1 6 . 1 1 53 53 GLY CA C 53 42.633 42.633 44.667 -2.034 25973 2306 1 6 . 1 1 53 53 GLY H H 53 8.622 8.622 8.412 0.210 25973 2307 1 6 . 1 1 54 54 ARG N N 54 119.010 119.010 120.414 -1.404 25973 2308 1 6 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.578 -0.110 25973 2309 1 6 . 1 1 54 54 ARG C C 54 172.237 172.237 176.881 -4.644 25973 2310 1 6 . 1 1 54 54 ARG CA C 54 51.747 51.747 54.432 -2.685 25973 2311 1 6 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.065 -1.493 25973 2312 1 6 . 1 1 54 54 ARG H H 54 7.397 7.397 7.891 -0.494 25973 2313 1 6 . 1 1 55 55 THR N N 55 106.762 106.762 112.261 -5.499 25973 2314 1 6 . 1 1 55 55 THR HA H 55 4.545 4.545 4.543 0.002 25973 2315 1 6 . 1 1 55 55 THR C C 55 173.492 173.492 176.046 -2.554 25973 2316 1 6 . 1 1 55 55 THR CA C 55 57.122 57.122 60.687 -3.565 25973 2317 1 6 . 1 1 55 55 THR CB C 55 69.087 69.087 70.329 -1.242 25973 2318 1 6 . 1 1 55 55 THR H H 55 7.536 7.536 8.149 -0.613 25973 2319 1 6 . 1 1 56 56 LEU N N 56 119.096 119.096 120.857 -1.761 25973 2320 1 6 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.244 -0.282 25973 2321 1 6 . 1 1 56 56 LEU C C 56 178.169 178.169 179.120 -0.951 25973 2322 1 6 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.328 -1.052 25973 2323 1 6 . 1 1 56 56 LEU CB C 56 37.245 37.245 40.302 -3.057 25973 2324 1 6 . 1 1 56 56 LEU H H 56 8.258 8.258 8.529 -0.271 25973 2325 1 6 . 1 1 57 57 SER N N 57 113.389 113.389 114.764 -1.375 25973 2326 1 6 . 1 1 57 57 SER HA H 57 4.180 4.180 4.197 -0.017 25973 2327 1 6 . 1 1 57 57 SER C C 57 175.491 175.491 176.614 -1.123 25973 2328 1 6 . 1 1 57 57 SER CA C 57 57.967 57.967 61.375 -3.408 25973 2329 1 6 . 1 1 57 57 SER CB C 57 59.730 59.730 62.436 -2.706 25973 2330 1 6 . 1 1 57 57 SER H H 57 8.484 8.484 8.340 0.144 25973 2331 1 6 . 1 1 58 58 ASP N N 58 122.795 122.795 121.155 1.640 25973 2332 1 6 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.528 -0.254 25973 2333 1 6 . 1 1 58 58 ASP C C 58 173.529 173.529 177.148 -3.619 25973 2334 1 6 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.530 -3.711 25973 2335 1 6 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.404 -5.744 25973 2336 1 6 . 1 1 58 58 ASP H H 58 7.893 7.893 7.870 0.023 25973 2337 1 6 . 1 1 59 59 TYR N N 59 116.135 116.135 118.626 -2.491 25973 2338 1 6 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.471 0.151 25973 2339 1 6 . 1 1 59 59 TYR C C 59 171.756 171.756 174.650 -2.894 25973 2340 1 6 . 1 1 59 59 TYR CA C 59 55.546 55.546 58.856 -3.310 25973 2341 1 6 . 1 1 59 59 TYR CB C 59 37.146 37.146 38.631 -1.485 25973 2342 1 6 . 1 1 59 59 TYR H H 59 7.243 7.243 7.611 -0.368 25973 2343 1 6 . 1 1 60 60 ASN N N 60 115.660 115.660 115.401 0.259 25973 2344 1 6 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.288 -0.007 25973 2345 1 6 . 1 1 60 60 ASN C C 60 171.419 171.419 174.995 -3.576 25973 2346 1 6 . 1 1 60 60 ASN CA C 60 51.470 51.470 53.547 -2.076 25973 2347 1 6 . 1 1 60 60 ASN CB C 60 34.647 34.647 35.984 -1.337 25973 2348 1 6 . 1 1 60 60 ASN H H 60 8.108 8.108 8.039 0.069 25973 2349 1 6 . 1 1 61 61 ILE N N 61 118.591 118.591 117.950 0.641 25973 2350 1 6 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.755 -0.496 25973 2351 1 6 . 1 1 61 61 ILE C C 61 171.673 171.673 176.532 -4.859 25973 2352 1 6 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.891 -3.154 25973 2353 1 6 . 1 1 61 61 ILE CB C 61 34.117 34.117 36.987 -2.870 25973 2354 1 6 . 1 1 61 61 ILE H H 61 7.031 7.031 8.091 -1.060 25973 2355 1 6 . 1 1 62 62 GLN N N 62 125.176 125.176 126.027 -0.851 25973 2356 1 6 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.522 -0.054 25973 2357 1 6 . 1 1 62 62 GLN C C 62 172.907 172.907 175.809 -2.902 25973 2358 1 6 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.670 -3.724 25973 2359 1 6 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.353 -1.053 25973 2360 1 6 . 1 1 62 62 GLN H H 62 7.645 7.645 8.524 -0.879 25973 2361 1 6 . 1 1 63 63 LYS N N 63 120.040 120.040 119.487 0.553 25973 2362 1 6 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.365 -0.455 25973 2363 1 6 . 1 1 63 63 LYS C C 63 173.589 173.589 176.945 -3.356 25973 2364 1 6 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.618 -1.326 25973 2365 1 6 . 1 1 63 63 LYS CB C 63 29.920 29.920 32.850 -2.930 25973 2366 1 6 . 1 1 63 63 LYS H H 63 8.416 8.416 8.330 0.086 25973 2367 1 6 . 1 1 64 64 GLU N N 64 113.699 113.699 115.695 -1.996 25973 2368 1 6 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.105 -0.589 25973 2369 1 6 . 1 1 64 64 GLU C C 64 172.267 172.267 175.625 -3.358 25973 2370 1 6 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.798 -3.083 25973 2371 1 6 . 1 1 64 64 GLU CB C 64 22.801 22.801 27.218 -4.417 25973 2372 1 6 . 1 1 64 64 GLU H H 64 9.180 9.180 8.573 0.607 25973 2373 1 6 . 1 1 65 65 SER N N 65 115.564 115.564 114.707 0.857 25973 2374 1 6 . 1 1 65 65 SER HA H 65 4.531 4.531 4.647 -0.116 25973 2375 1 6 . 1 1 65 65 SER C C 65 169.375 169.375 174.317 -4.942 25973 2376 1 6 . 1 1 65 65 SER CA C 65 58.422 58.422 58.906 -0.484 25973 2377 1 6 . 1 1 65 65 SER CB C 65 62.153 62.153 64.771 -2.618 25973 2378 1 6 . 1 1 65 65 SER H H 65 7.818 7.818 7.751 0.067 25973 2379 1 6 . 1 1 66 66 THR N N 66 117.311 117.311 123.122 -5.811 25973 2380 1 6 . 1 1 66 66 THR HA H 66 5.106 5.106 4.601 0.505 25973 2381 1 6 . 1 1 66 66 THR C C 66 171.057 171.057 173.862 -2.805 25973 2382 1 6 . 1 1 66 66 THR CA C 66 59.814 59.814 62.577 -2.763 25973 2383 1 6 . 1 1 66 66 THR CB C 66 67.491 67.491 69.326 -1.835 25973 2384 1 6 . 1 1 66 66 THR H H 66 8.704 8.704 8.687 0.017 25973 2385 1 6 . 1 1 67 67 LEU N N 67 127.157 127.157 128.877 -1.720 25973 2386 1 6 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.669 0.282 25973 2387 1 6 . 1 1 67 67 LEU C C 67 173.090 173.090 175.723 -2.633 25973 2388 1 6 . 1 1 67 67 LEU CA C 67 51.708 51.708 53.968 -2.260 25973 2389 1 6 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.577 -3.186 25973 2390 1 6 . 1 1 67 67 LEU H H 67 9.318 9.318 9.130 0.188 25973 2391 1 6 . 1 1 68 68 HIS N N 68 118.227 118.227 121.999 -3.772 25973 2392 1 6 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.782 0.388 25973 2393 1 6 . 1 1 68 68 HIS C C 68 170.031 170.031 174.192 -4.161 25973 2394 1 6 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.607 -3.543 25973 2395 1 6 . 1 1 68 68 HIS CB C 68 27.536 27.536 29.724 -2.188 25973 2396 1 6 . 1 1 68 68 HIS H H 68 9.141 9.141 8.705 0.436 25973 2397 1 6 . 1 1 69 69 LEU N N 69 124.847 124.847 127.964 -3.117 25973 2398 1 6 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.113 -0.005 25973 2399 1 6 . 1 1 69 69 LEU C C 69 172.304 172.304 175.005 -2.701 25973 2400 1 6 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.742 -2.096 25973 2401 1 6 . 1 1 69 69 LEU CB C 69 41.603 41.603 42.989 -1.386 25973 2402 1 6 . 1 1 69 69 LEU H H 69 8.332 8.332 8.615 -0.283 25973 2403 1 6 . 1 1 70 70 VAL N N 70 128.173 128.173 127.157 1.016 25973 2404 1 6 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.412 0.038 25973 2405 1 6 . 1 1 70 70 VAL C C 70 177.746 177.746 174.485 3.261 25973 2406 1 6 . 1 1 70 70 VAL CA C 70 58.395 58.395 60.843 -2.448 25973 2407 1 6 . 1 1 70 70 VAL CB C 70 31.198 31.198 33.719 -2.521 25973 2408 1 6 . 1 1 70 70 VAL H H 70 9.159 9.159 9.076 0.083 25973 2409 1 6 . 1 1 71 71 LEU N N 71 124.557 124.557 124.673 -0.116 25973 2410 1 6 . 1 1 71 71 LEU HA H 71 4.922 4.922 4.949 -0.027 25973 2411 1 6 . 1 1 71 71 LEU C C 71 174.917 174.917 176.459 -1.542 25973 2412 1 6 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.419 -1.589 25973 2413 1 6 . 1 1 71 71 LEU CB C 71 39.997 39.997 42.506 -2.509 25973 2414 1 6 . 1 1 71 71 LEU H H 71 8.273 8.273 8.434 -0.161 25973 2415 1 6 . 1 1 72 72 ARG N N 72 123.440 123.440 124.716 -1.276 25973 2416 1 6 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.542 -0.293 25973 2417 1 6 . 1 1 72 72 ARG C C 72 172.657 172.657 175.260 -2.603 25973 2418 1 6 . 1 1 72 72 ARG CA C 72 52.746 52.746 54.849 -2.103 25973 2419 1 6 . 1 1 72 72 ARG CB C 72 28.058 28.058 32.403 -4.345 25973 2420 1 6 . 1 1 72 72 ARG H H 72 8.532 8.532 7.864 0.668 25973 2421 1 6 . 1 1 73 73 LEU N N 73 124.189 124.189 121.264 2.925 25973 2422 1 6 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.009 0.262 25973 2423 1 6 . 1 1 73 73 LEU C C 73 174.691 174.691 176.000 -1.309 25973 2424 1 6 . 1 1 73 73 LEU CA C 73 52.361 52.361 54.790 -2.429 25973 2425 1 6 . 1 1 73 73 LEU CB C 73 39.708 39.708 41.930 -2.222 25973 2426 1 6 . 1 1 73 73 LEU H H 73 8.289 8.289 8.555 -0.266 25973 2427 1 6 . 1 1 74 74 ARG N N 74 121.162 121.162 123.706 -2.544 25973 2428 1 6 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.339 -0.092 25973 2429 1 6 . 1 1 74 74 ARG C C 74 173.901 173.901 176.754 -2.853 25973 2430 1 6 . 1 1 74 74 ARG CA C 74 53.625 53.625 56.335 -2.710 25973 2431 1 6 . 1 1 74 74 ARG CB C 74 28.134 28.134 30.540 -2.406 25973 2432 1 6 . 1 1 74 74 ARG H H 74 8.268 8.268 8.468 -0.200 25973 2433 1 6 . 1 1 75 75 GLY N N 75 110.230 110.230 113.403 -3.173 25973 2434 1 6 . 1 1 75 75 GLY C C 75 171.504 171.504 174.925 -3.421 25973 2435 1 6 . 1 1 75 75 GLY CA C 75 42.404 42.404 45.037 -2.633 25973 2436 1 6 . 1 1 75 75 GLY H H 75 8.367 8.367 8.448 -0.081 25973 2437 1 7 . 1 1 2 2 GLN N N 2 124.960 124.960 118.489 6.471 25973 2438 1 7 . 1 1 2 2 GLN HA H 2 5.089 5.089 5.034 0.055 25973 2439 1 7 . 1 1 2 2 GLN C C 2 172.479 172.479 174.536 -2.057 25973 2440 1 7 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.146 -1.826 25973 2441 1 7 . 1 1 2 2 GLN CB C 2 28.181 28.181 31.071 -2.890 25973 2442 1 7 . 1 1 2 2 GLN H H 2 8.807 8.807 8.190 0.617 25973 2443 1 7 . 1 1 3 3 ILE N N 3 116.556 116.556 113.888 2.668 25973 2444 1 7 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.837 -0.659 25973 2445 1 7 . 1 1 3 3 ILE C C 3 169.813 169.813 174.180 -4.367 25973 2446 1 7 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.323 -2.702 25973 2447 1 7 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.668 -2.563 25973 2448 1 7 . 1 1 3 3 ILE H H 3 8.237 8.237 8.657 -0.420 25973 2449 1 7 . 1 1 4 4 PHE N N 4 118.417 118.417 119.889 -1.472 25973 2450 1 7 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.464 0.035 25973 2451 1 7 . 1 1 4 4 PHE C C 4 172.505 172.505 175.486 -2.981 25973 2452 1 7 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.351 -3.527 25973 2453 1 7 . 1 1 4 4 PHE CB C 4 38.890 38.890 42.090 -3.200 25973 2454 1 7 . 1 1 4 4 PHE H H 4 8.675 8.675 8.474 0.201 25973 2455 1 7 . 1 1 5 5 VAL N N 5 120.755 120.755 122.502 -1.747 25973 2456 1 7 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.482 0.105 25973 2457 1 7 . 1 1 5 5 VAL C C 5 172.070 172.070 174.354 -2.284 25973 2458 1 7 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.214 -3.094 25973 2459 1 7 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.149 -2.101 25973 2460 1 7 . 1 1 5 5 VAL H H 5 9.190 9.190 9.117 0.073 25973 2461 1 7 . 1 1 6 6 LYS N N 6 127.964 127.964 129.627 -1.663 25973 2462 1 7 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.751 0.487 25973 2463 1 7 . 1 1 6 6 LYS C C 6 174.119 174.119 175.715 -1.596 25973 2464 1 7 . 1 1 6 6 LYS CA C 6 51.871 51.871 55.038 -3.167 25973 2465 1 7 . 1 1 6 6 LYS CB C 6 32.668 32.668 35.180 -2.512 25973 2466 1 7 . 1 1 6 6 LYS H H 6 8.758 8.758 9.215 -0.457 25973 2467 1 7 . 1 1 7 7 THR N N 7 115.618 115.618 118.410 -2.792 25973 2468 1 7 . 1 1 7 7 THR HA H 7 4.912 4.912 5.055 -0.143 25973 2469 1 7 . 1 1 7 7 THR C C 7 173.994 173.994 176.447 -2.453 25973 2470 1 7 . 1 1 7 7 THR CA C 7 57.844 57.844 59.710 -1.866 25973 2471 1 7 . 1 1 7 7 THR CB C 7 68.137 68.137 71.190 -3.053 25973 2472 1 7 . 1 1 7 7 THR H H 7 8.573 8.573 7.955 0.618 25973 2473 1 7 . 1 1 8 8 LEU N N 8 122.083 122.083 120.314 1.769 25973 2474 1 7 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.427 -0.218 25973 2475 1 7 . 1 1 8 8 LEU C C 8 176.005 176.005 178.092 -2.087 25973 2476 1 7 . 1 1 8 8 LEU CA C 8 55.656 55.656 56.914 -1.258 25973 2477 1 7 . 1 1 8 8 LEU CB C 8 39.247 39.247 42.132 -2.885 25973 2478 1 7 . 1 1 8 8 LEU H H 8 9.034 9.034 8.696 0.338 25973 2479 1 7 . 1 1 9 9 THR N N 9 105.803 105.803 109.252 -3.449 25973 2480 1 7 . 1 1 9 9 THR HA H 9 4.503 4.503 4.410 0.093 25973 2481 1 7 . 1 1 9 9 THR C C 9 172.624 172.624 176.111 -3.487 25973 2482 1 7 . 1 1 9 9 THR CA C 9 58.961 58.961 61.390 -2.429 25973 2483 1 7 . 1 1 9 9 THR CB C 9 66.541 66.541 69.388 -2.847 25973 2484 1 7 . 1 1 9 9 THR H H 9 7.582 7.582 8.093 -0.511 25973 2485 1 7 . 1 1 10 10 GLY N N 10 109.254 109.254 111.144 -1.890 25973 2486 1 7 . 1 1 10 10 GLY C C 10 171.405 171.405 173.861 -2.456 25973 2487 1 7 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.358 -2.705 25973 2488 1 7 . 1 1 10 10 GLY H H 10 7.770 7.770 7.540 0.230 25973 2489 1 7 . 1 1 11 11 LYS N N 11 121.278 121.278 123.735 -2.457 25973 2490 1 7 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.086 0.222 25973 2491 1 7 . 1 1 11 11 LYS C C 11 173.489 173.489 175.562 -2.073 25973 2492 1 7 . 1 1 11 11 LYS CA C 11 53.385 53.385 57.103 -3.718 25973 2493 1 7 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.870 -2.698 25973 2494 1 7 . 1 1 11 11 LYS H H 11 7.313 7.313 7.596 -0.283 25973 2495 1 7 . 1 1 12 12 THR N N 12 120.644 120.644 121.544 -0.900 25973 2496 1 7 . 1 1 12 12 THR HA H 12 4.972 4.972 5.107 -0.135 25973 2497 1 7 . 1 1 12 12 THR C C 12 171.547 171.547 174.755 -3.208 25973 2498 1 7 . 1 1 12 12 THR CA C 12 59.880 59.880 61.558 -1.678 25973 2499 1 7 . 1 1 12 12 THR CB C 12 67.386 67.386 69.476 -2.090 25973 2500 1 7 . 1 1 12 12 THR H H 12 8.659 8.659 8.126 0.533 25973 2501 1 7 . 1 1 13 13 ILE N N 13 125.497 125.497 125.560 -0.063 25973 2502 1 7 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.463 0.075 25973 2503 1 7 . 1 1 13 13 ILE C C 13 172.300 172.300 174.989 -2.689 25973 2504 1 7 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.132 -3.018 25973 2505 1 7 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.387 -0.692 25973 2506 1 7 . 1 1 13 13 ILE H H 13 9.169 9.169 8.876 0.293 25973 2507 1 7 . 1 1 14 14 THR N N 14 120.078 120.078 121.905 -1.827 25973 2508 1 7 . 1 1 14 14 THR HA H 14 4.883 4.883 4.919 -0.036 25973 2509 1 7 . 1 1 14 14 THR C C 14 170.915 170.915 173.685 -2.770 25973 2510 1 7 . 1 1 14 14 THR CA C 14 58.998 58.998 61.814 -2.816 25973 2511 1 7 . 1 1 14 14 THR CB C 14 67.221 67.221 69.545 -2.324 25973 2512 1 7 . 1 1 14 14 THR H H 14 8.596 8.596 8.458 0.138 25973 2513 1 7 . 1 1 15 15 LEU N N 15 124.381 124.381 127.872 -3.491 25973 2514 1 7 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.636 0.120 25973 2515 1 7 . 1 1 15 15 LEU C C 15 172.377 172.377 174.990 -2.613 25973 2516 1 7 . 1 1 15 15 LEU CA C 15 50.001 50.001 52.957 -2.956 25973 2517 1 7 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.765 -1.644 25973 2518 1 7 . 1 1 15 15 LEU H H 15 8.706 8.706 8.858 -0.152 25973 2519 1 7 . 1 1 16 16 GLU N N 16 122.156 122.156 122.065 0.091 25973 2520 1 7 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.468 0.384 25973 2521 1 7 . 1 1 16 16 GLU C C 16 172.785 172.785 175.055 -2.270 25973 2522 1 7 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.248 -3.531 25973 2523 1 7 . 1 1 16 16 GLU CB C 16 25.232 25.232 29.913 -4.681 25973 2524 1 7 . 1 1 16 16 GLU H H 16 8.259 8.259 8.435 -0.176 25973 2525 1 7 . 1 1 17 17 VAL N N 17 115.706 115.706 118.568 -2.862 25973 2526 1 7 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.531 0.102 25973 2527 1 7 . 1 1 17 17 VAL C C 17 171.495 171.495 173.915 -2.420 25973 2528 1 7 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.765 -4.098 25973 2529 1 7 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.484 -1.269 25973 2530 1 7 . 1 1 17 17 VAL H H 17 8.631 8.631 7.554 1.077 25973 2531 1 7 . 1 1 18 18 GLU N N 18 117.702 117.702 118.483 -0.781 25973 2532 1 7 . 1 1 18 18 GLU H H 18 7.705 7.705 8.309 -0.604 25973 2533 1 7 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.523 -0.486 25973 2534 1 7 . 1 1 19 19 PRO C C 19 172.411 172.411 176.019 -3.608 25973 2535 1 7 . 1 1 19 19 PRO CA C 19 62.565 62.565 64.155 -1.590 25973 2536 1 7 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.188 -2.834 25973 2537 1 7 . 1 1 20 20 SER N N 20 104.376 104.376 112.153 -7.777 25973 2538 1 7 . 1 1 20 20 SER HA H 20 4.270 4.270 4.448 -0.178 25973 2539 1 7 . 1 1 20 20 SER C C 20 172.006 172.006 174.681 -2.675 25973 2540 1 7 . 1 1 20 20 SER CA C 20 54.697 54.697 58.492 -3.795 25973 2541 1 7 . 1 1 20 20 SER CB C 20 60.491 60.491 64.958 -4.467 25973 2542 1 7 . 1 1 20 20 SER H H 20 7.127 7.127 7.824 -0.697 25973 2543 1 7 . 1 1 21 21 ASP N N 21 121.646 121.646 125.317 -3.671 25973 2544 1 7 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.776 -0.062 25973 2545 1 7 . 1 1 21 21 ASP C C 21 172.786 172.786 175.923 -3.137 25973 2546 1 7 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.980 -3.545 25973 2547 1 7 . 1 1 21 21 ASP CB C 21 36.288 36.288 41.303 -5.015 25973 2548 1 7 . 1 1 21 21 ASP H H 21 7.890 7.890 7.656 0.234 25973 2549 1 7 . 1 1 22 22 THR N N 22 109.295 109.295 109.900 -0.605 25973 2550 1 7 . 1 1 22 22 THR HA H 22 4.833 4.833 4.449 0.384 25973 2551 1 7 . 1 1 22 22 THR C C 22 173.653 173.653 175.912 -2.259 25973 2552 1 7 . 1 1 22 22 THR CA C 22 57.439 57.439 60.494 -3.055 25973 2553 1 7 . 1 1 22 22 THR CB C 22 68.925 68.925 70.904 -1.979 25973 2554 1 7 . 1 1 22 22 THR H H 22 8.202 8.202 8.155 0.047 25973 2555 1 7 . 1 1 23 23 ILE N N 23 121.424 121.424 121.900 -0.476 25973 2556 1 7 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.836 -0.240 25973 2557 1 7 . 1 1 23 23 ILE C C 23 176.250 176.250 177.434 -1.184 25973 2558 1 7 . 1 1 23 23 ILE CA C 23 59.208 59.208 63.267 -4.059 25973 2559 1 7 . 1 1 23 23 ILE CB C 23 31.692 31.692 37.379 -5.687 25973 2560 1 7 . 1 1 23 23 ILE H H 23 8.450 8.450 8.425 0.025 25973 2561 1 7 . 1 1 24 24 GLU N N 24 120.359 120.359 121.456 -1.097 25973 2562 1 7 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.911 -0.097 25973 2563 1 7 . 1 1 24 24 GLU C C 24 175.008 175.008 178.684 -3.676 25973 2564 1 7 . 1 1 24 24 GLU CA C 24 56.671 56.671 60.141 -3.470 25973 2565 1 7 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.304 -3.718 25973 2566 1 7 . 1 1 24 24 GLU H H 24 8.802 8.802 8.598 0.204 25973 2567 1 7 . 1 1 25 25 ASN N N 25 119.035 119.035 118.083 0.952 25973 2568 1 7 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.480 -0.087 25973 2569 1 7 . 1 1 25 25 ASN C C 25 175.438 175.438 177.491 -2.053 25973 2570 1 7 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.265 -2.610 25973 2571 1 7 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.288 -2.019 25973 2572 1 7 . 1 1 25 25 ASN H H 25 7.928 7.928 7.619 0.309 25973 2573 1 7 . 1 1 26 26 ALA N N 26 122.272 122.272 122.441 -0.169 25973 2574 1 7 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.944 -0.133 25973 2575 1 7 . 1 1 26 26 ALA C C 26 176.256 176.256 179.180 -2.924 25973 2576 1 7 . 1 1 26 26 ALA CA C 26 53.046 53.046 54.919 -1.873 25973 2577 1 7 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.333 -5.079 25973 2578 1 7 . 1 1 26 26 ALA H H 26 7.949 7.949 7.478 0.471 25973 2579 1 7 . 1 1 27 27 LYS N N 27 117.069 117.069 118.214 -1.145 25973 2580 1 7 . 1 1 27 27 LYS H H 27 8.469 8.469 7.897 0.572 25973 2581 1 7 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.069 -0.000 25973 2582 1 7 . 1 1 28 28 ALA C C 28 177.699 177.699 179.469 -1.770 25973 2583 1 7 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.142 -2.575 25973 2584 1 7 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.256 -3.303 25973 2585 1 7 . 1 1 29 29 LYS N N 29 119.644 119.644 118.812 0.832 25973 2586 1 7 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.989 0.112 25973 2587 1 7 . 1 1 29 29 LYS C C 29 177.487 177.487 179.071 -1.584 25973 2588 1 7 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.666 -2.841 25973 2589 1 7 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.318 -2.096 25973 2590 1 7 . 1 1 29 29 LYS H H 29 7.726 7.726 7.564 0.162 25973 2591 1 7 . 1 1 30 30 ILE N N 30 121.905 121.905 120.005 1.900 25973 2592 1 7 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.668 0.514 25973 2593 1 7 . 1 1 30 30 ILE C C 30 175.724 175.724 177.873 -2.149 25973 2594 1 7 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.115 -1.571 25973 2595 1 7 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.774 -3.569 25973 2596 1 7 . 1 1 30 30 ILE H H 30 8.206 8.206 7.615 0.591 25973 2597 1 7 . 1 1 31 31 GLN N N 31 123.624 123.624 121.035 2.589 25973 2598 1 7 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.146 -0.410 25973 2599 1 7 . 1 1 31 31 GLN C C 31 176.118 176.118 178.395 -2.277 25973 2600 1 7 . 1 1 31 31 GLN CA C 31 57.098 57.098 58.940 -1.842 25973 2601 1 7 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.155 -2.605 25973 2602 1 7 . 1 1 31 31 GLN H H 31 8.597 8.597 7.671 0.926 25973 2603 1 7 . 1 1 32 32 ASP N N 32 118.441 118.441 119.200 -0.759 25973 2604 1 7 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.501 -0.187 25973 2605 1 7 . 1 1 32 32 ASP C C 32 173.568 173.568 178.003 -4.435 25973 2606 1 7 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.520 -3.156 25973 2607 1 7 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.906 -5.753 25973 2608 1 7 . 1 1 32 32 ASP H H 32 7.994 7.994 8.088 -0.094 25973 2609 1 7 . 1 1 33 33 LYS N N 33 115.568 115.568 118.864 -3.296 25973 2610 1 7 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.315 -0.020 25973 2611 1 7 . 1 1 33 33 LYS C C 33 174.935 174.935 177.864 -2.929 25973 2612 1 7 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.736 -2.305 25973 2613 1 7 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.603 -1.790 25973 2614 1 7 . 1 1 33 33 LYS H H 33 7.383 7.383 7.749 -0.366 25973 2615 1 7 . 1 1 34 34 GLU N N 34 113.069 113.069 115.917 -2.848 25973 2616 1 7 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.508 0.111 25973 2617 1 7 . 1 1 34 34 GLU C C 34 174.551 174.551 176.993 -2.442 25973 2618 1 7 . 1 1 34 34 GLU CA C 34 52.222 52.222 55.807 -3.585 25973 2619 1 7 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.390 -1.476 25973 2620 1 7 . 1 1 34 34 GLU H H 34 8.697 8.697 8.382 0.315 25973 2621 1 7 . 1 1 35 35 GLY N N 35 108.734 108.734 108.569 0.165 25973 2622 1 7 . 1 1 35 35 GLY C C 35 170.888 170.888 173.719 -2.831 25973 2623 1 7 . 1 1 35 35 GLY H H 35 8.564 8.564 8.257 0.307 25973 2624 1 7 . 1 1 36 36 ILE N N 36 116.747 116.747 120.600 -3.853 25973 2625 1 7 . 1 1 36 36 ILE H H 36 6.763 6.763 7.305 -0.542 25973 2626 1 7 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.257 -0.265 25973 2627 1 7 . 1 1 38 38 PRO C C 38 175.657 175.657 178.190 -2.533 25973 2628 1 7 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.345 -1.611 25973 2629 1 7 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.903 -1.744 25973 2630 1 7 . 1 1 39 39 ASP N N 39 113.150 113.150 118.134 -4.984 25973 2631 1 7 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.473 -0.068 25973 2632 1 7 . 1 1 39 39 ASP C C 39 173.637 173.637 176.585 -2.948 25973 2633 1 7 . 1 1 39 39 ASP CA C 39 51.963 51.963 55.929 -3.966 25973 2634 1 7 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.506 -6.207 25973 2635 1 7 . 1 1 39 39 ASP H H 39 8.758 8.758 8.591 0.167 25973 2636 1 7 . 1 1 40 40 GLN N N 40 118.365 118.365 116.533 1.832 25973 2637 1 7 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.660 -0.259 25973 2638 1 7 . 1 1 40 40 GLN C C 40 172.173 172.173 174.991 -2.818 25973 2639 1 7 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.253 -2.327 25973 2640 1 7 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.657 -2.234 25973 2641 1 7 . 1 1 40 40 GLN H H 40 7.949 7.949 7.448 0.501 25973 2642 1 7 . 1 1 41 41 GLN N N 41 117.813 117.813 119.500 -1.687 25973 2643 1 7 . 1 1 41 41 GLN C C 41 172.785 172.785 174.948 -2.163 25973 2644 1 7 . 1 1 41 41 GLN H H 41 7.490 7.490 7.297 0.193 25973 2645 1 7 . 1 1 42 42 ARG N N 42 115.761 115.761 125.607 -9.846 25973 2646 1 7 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.670 -0.243 25973 2647 1 7 . 1 1 42 42 ARG C C 42 171.412 171.412 173.905 -2.493 25973 2648 1 7 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.111 -2.799 25973 2649 1 7 . 1 1 42 42 ARG CB C 42 28.635 28.635 33.337 -4.702 25973 2650 1 7 . 1 1 42 42 ARG H H 42 8.631 8.631 8.979 -0.348 25973 2651 1 7 . 1 1 43 43 LEU N N 43 124.185 124.185 127.059 -2.874 25973 2652 1 7 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.908 0.386 25973 2653 1 7 . 1 1 43 43 LEU C C 43 172.374 172.374 175.755 -3.381 25973 2654 1 7 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.385 -3.531 25973 2655 1 7 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.791 -0.677 25973 2656 1 7 . 1 1 43 43 LEU H H 43 8.673 8.673 8.707 -0.034 25973 2657 1 7 . 1 1 44 44 ILE N N 44 122.386 122.386 126.325 -3.939 25973 2658 1 7 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.545 0.374 25973 2659 1 7 . 1 1 44 44 ILE C C 44 173.248 173.248 174.110 -0.862 25973 2660 1 7 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.534 -4.107 25973 2661 1 7 . 1 1 44 44 ILE CB C 44 39.130 39.130 42.662 -3.532 25973 2662 1 7 . 1 1 44 44 ILE H H 44 8.970 8.970 8.607 0.363 25973 2663 1 7 . 1 1 45 45 PHE N N 45 125.287 125.287 125.798 -0.511 25973 2664 1 7 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.905 0.050 25973 2665 1 7 . 1 1 45 45 PHE C C 45 171.645 171.645 174.636 -2.991 25973 2666 1 7 . 1 1 45 45 PHE CA C 45 54.395 54.395 57.670 -3.275 25973 2667 1 7 . 1 1 45 45 PHE CB C 45 41.282 41.282 41.474 -0.192 25973 2668 1 7 . 1 1 45 45 PHE H H 45 8.658 8.658 8.557 0.101 25973 2669 1 7 . 1 1 46 46 ALA N N 46 100.596 100.596 127.917 -27.321 25973 2670 1 7 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.706 -0.080 25973 2671 1 7 . 1 1 46 46 ALA C C 46 174.527 174.527 177.395 -2.868 25973 2672 1 7 . 1 1 46 46 ALA CA C 46 49.877 49.877 51.938 -2.061 25973 2673 1 7 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.705 -3.838 25973 2674 1 7 . 1 1 46 46 ALA H H 46 8.687 8.687 8.342 0.345 25973 2675 1 7 . 1 1 47 47 GLY N N 47 102.825 102.825 106.212 -3.387 25973 2676 1 7 . 1 1 47 47 GLY C C 47 171.138 171.138 173.784 -2.646 25973 2677 1 7 . 1 1 47 47 GLY CA C 47 42.658 42.658 45.324 -2.666 25973 2678 1 7 . 1 1 47 47 GLY H H 47 8.193 8.193 8.106 0.087 25973 2679 1 7 . 1 1 48 48 LYS N N 48 121.451 121.451 122.901 -1.450 25973 2680 1 7 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.309 0.233 25973 2681 1 7 . 1 1 48 48 LYS C C 48 171.954 171.954 176.524 -4.570 25973 2682 1 7 . 1 1 48 48 LYS CA C 48 51.653 51.653 55.876 -4.223 25973 2683 1 7 . 1 1 48 48 LYS CB C 48 31.761 31.761 33.269 -1.508 25973 2684 1 7 . 1 1 48 48 LYS H H 48 7.888 7.888 7.848 0.040 25973 2685 1 7 . 1 1 49 49 GLN N N 49 121.884 121.884 121.783 0.101 25973 2686 1 7 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.303 0.115 25973 2687 1 7 . 1 1 49 49 GLN C C 49 173.073 173.073 175.932 -2.859 25973 2688 1 7 . 1 1 49 49 GLN CA C 49 52.999 52.999 55.451 -2.452 25973 2689 1 7 . 1 1 49 49 GLN CB C 49 26.041 26.041 29.098 -3.057 25973 2690 1 7 . 1 1 49 49 GLN H H 49 8.521 8.521 8.350 0.171 25973 2691 1 7 . 1 1 50 50 LEU N N 50 125.208 125.208 123.060 2.148 25973 2692 1 7 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.170 -0.224 25973 2693 1 7 . 1 1 50 50 LEU C C 50 173.823 173.823 176.895 -3.072 25973 2694 1 7 . 1 1 50 50 LEU CA C 50 51.582 51.582 55.636 -4.054 25973 2695 1 7 . 1 1 50 50 LEU CB C 50 38.906 38.906 40.987 -2.081 25973 2696 1 7 . 1 1 50 50 LEU H H 50 8.427 8.427 8.126 0.301 25973 2697 1 7 . 1 1 51 51 GLU N N 51 122.400 122.400 124.210 -1.810 25973 2698 1 7 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.475 -0.051 25973 2699 1 7 . 1 1 51 51 GLU C C 51 173.730 173.730 176.119 -2.389 25973 2700 1 7 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.780 -2.959 25973 2701 1 7 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.509 -3.433 25973 2702 1 7 . 1 1 51 51 GLU H H 51 8.333 8.333 8.310 0.023 25973 2703 1 7 . 1 1 52 52 ASP N N 52 119.615 119.615 121.806 -2.191 25973 2704 1 7 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.530 -0.271 25973 2705 1 7 . 1 1 52 52 ASP C C 52 173.507 173.507 176.557 -3.050 25973 2706 1 7 . 1 1 52 52 ASP CA C 52 53.536 53.536 54.570 -1.034 25973 2707 1 7 . 1 1 52 52 ASP CB C 52 36.441 36.441 41.324 -4.883 25973 2708 1 7 . 1 1 52 52 ASP H H 52 8.490 8.490 8.684 -0.194 25973 2709 1 7 . 1 1 53 53 GLY N N 53 104.158 104.158 107.433 -3.275 25973 2710 1 7 . 1 1 53 53 GLY C C 53 172.296 172.296 173.885 -1.589 25973 2711 1 7 . 1 1 53 53 GLY CA C 53 42.633 42.633 44.687 -2.054 25973 2712 1 7 . 1 1 53 53 GLY H H 53 8.622 8.622 7.855 0.767 25973 2713 1 7 . 1 1 54 54 ARG N N 54 119.010 119.010 119.798 -0.788 25973 2714 1 7 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.619 -0.151 25973 2715 1 7 . 1 1 54 54 ARG C C 54 172.237 172.237 176.060 -3.823 25973 2716 1 7 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.051 -3.304 25973 2717 1 7 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.053 -1.481 25973 2718 1 7 . 1 1 54 54 ARG H H 54 7.397 7.397 7.847 -0.450 25973 2719 1 7 . 1 1 55 55 THR N N 55 106.762 106.762 112.779 -6.017 25973 2720 1 7 . 1 1 55 55 THR HA H 55 4.545 4.545 4.535 0.010 25973 2721 1 7 . 1 1 55 55 THR C C 55 173.492 173.492 175.039 -1.547 25973 2722 1 7 . 1 1 55 55 THR CA C 55 57.122 57.122 60.310 -3.188 25973 2723 1 7 . 1 1 55 55 THR CB C 55 69.087 69.087 71.239 -2.152 25973 2724 1 7 . 1 1 55 55 THR H H 55 7.536 7.536 8.316 -0.780 25973 2725 1 7 . 1 1 56 56 LEU N N 56 119.096 119.096 120.607 -1.511 25973 2726 1 7 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.156 -0.194 25973 2727 1 7 . 1 1 56 56 LEU C C 56 178.169 178.169 179.261 -1.092 25973 2728 1 7 . 1 1 56 56 LEU CA C 56 56.276 56.276 58.424 -2.148 25973 2729 1 7 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.854 -4.609 25973 2730 1 7 . 1 1 56 56 LEU H H 56 8.258 8.258 8.566 -0.308 25973 2731 1 7 . 1 1 57 57 SER N N 57 113.389 113.389 114.955 -1.566 25973 2732 1 7 . 1 1 57 57 SER HA H 57 4.180 4.180 4.219 -0.039 25973 2733 1 7 . 1 1 57 57 SER C C 57 175.491 175.491 176.253 -0.762 25973 2734 1 7 . 1 1 57 57 SER CA C 57 57.967 57.967 61.687 -3.720 25973 2735 1 7 . 1 1 57 57 SER CB C 57 59.730 59.730 62.278 -2.548 25973 2736 1 7 . 1 1 57 57 SER H H 57 8.484 8.484 8.480 0.004 25973 2737 1 7 . 1 1 58 58 ASP N N 58 122.795 122.795 121.774 1.021 25973 2738 1 7 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.505 -0.231 25973 2739 1 7 . 1 1 58 58 ASP C C 58 173.529 173.529 177.160 -3.631 25973 2740 1 7 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.547 -3.728 25973 2741 1 7 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.917 -6.257 25973 2742 1 7 . 1 1 58 58 ASP H H 58 7.893 7.893 7.908 -0.015 25973 2743 1 7 . 1 1 59 59 TYR N N 59 116.135 116.135 117.768 -1.633 25973 2744 1 7 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.531 0.092 25973 2745 1 7 . 1 1 59 59 TYR C C 59 171.756 171.756 174.719 -2.963 25973 2746 1 7 . 1 1 59 59 TYR CA C 59 55.546 55.546 58.772 -3.226 25973 2747 1 7 . 1 1 59 59 TYR CB C 59 37.146 37.146 39.032 -1.886 25973 2748 1 7 . 1 1 59 59 TYR H H 59 7.243 7.243 7.557 -0.314 25973 2749 1 7 . 1 1 60 60 ASN N N 60 115.660 115.660 116.101 -0.441 25973 2750 1 7 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.328 -0.047 25973 2751 1 7 . 1 1 60 60 ASN C C 60 171.419 171.419 174.487 -3.068 25973 2752 1 7 . 1 1 60 60 ASN CA C 60 51.470 51.470 53.637 -2.167 25973 2753 1 7 . 1 1 60 60 ASN CB C 60 34.647 34.647 36.353 -1.706 25973 2754 1 7 . 1 1 60 60 ASN H H 60 8.108 8.108 8.169 -0.061 25973 2755 1 7 . 1 1 61 61 ILE N N 61 118.591 118.591 119.200 -0.609 25973 2756 1 7 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.705 -0.446 25973 2757 1 7 . 1 1 61 61 ILE C C 61 171.673 171.673 176.057 -4.384 25973 2758 1 7 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.860 -3.123 25973 2759 1 7 . 1 1 61 61 ILE CB C 61 34.117 34.117 37.567 -3.450 25973 2760 1 7 . 1 1 61 61 ILE H H 61 7.031 7.031 8.174 -1.143 25973 2761 1 7 . 1 1 62 62 GLN N N 62 125.176 125.176 125.947 -0.771 25973 2762 1 7 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.451 0.017 25973 2763 1 7 . 1 1 62 62 GLN C C 62 172.907 172.907 175.758 -2.851 25973 2764 1 7 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.794 -3.847 25973 2765 1 7 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.163 -0.863 25973 2766 1 7 . 1 1 62 62 GLN H H 62 7.645 7.645 8.453 -0.808 25973 2767 1 7 . 1 1 63 63 LYS N N 63 120.040 120.040 119.918 0.122 25973 2768 1 7 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.148 -0.238 25973 2769 1 7 . 1 1 63 63 LYS C C 63 173.589 173.589 176.459 -2.870 25973 2770 1 7 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.142 -0.850 25973 2771 1 7 . 1 1 63 63 LYS CB C 63 29.920 29.920 32.364 -2.444 25973 2772 1 7 . 1 1 63 63 LYS H H 63 8.416 8.416 8.417 -0.001 25973 2773 1 7 . 1 1 64 64 GLU N N 64 113.699 113.699 116.215 -2.516 25973 2774 1 7 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.024 -0.508 25973 2775 1 7 . 1 1 64 64 GLU C C 64 172.267 172.267 175.326 -3.059 25973 2776 1 7 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.892 -3.177 25973 2777 1 7 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.319 -5.518 25973 2778 1 7 . 1 1 64 64 GLU H H 64 9.180 9.180 8.599 0.581 25973 2779 1 7 . 1 1 65 65 SER N N 65 115.564 115.564 113.916 1.648 25973 2780 1 7 . 1 1 65 65 SER HA H 65 4.531 4.531 4.676 -0.145 25973 2781 1 7 . 1 1 65 65 SER C C 65 169.375 169.375 174.067 -4.692 25973 2782 1 7 . 1 1 65 65 SER CA C 65 58.422 58.422 58.182 0.240 25973 2783 1 7 . 1 1 65 65 SER CB C 65 62.153 62.153 64.909 -2.756 25973 2784 1 7 . 1 1 65 65 SER H H 65 7.818 7.818 7.688 0.130 25973 2785 1 7 . 1 1 66 66 THR N N 66 117.311 117.311 121.806 -4.495 25973 2786 1 7 . 1 1 66 66 THR HA H 66 5.106 5.106 4.655 0.451 25973 2787 1 7 . 1 1 66 66 THR C C 66 171.057 171.057 174.109 -3.052 25973 2788 1 7 . 1 1 66 66 THR CA C 66 59.814 59.814 62.428 -2.614 25973 2789 1 7 . 1 1 66 66 THR CB C 66 67.491 67.491 69.053 -1.562 25973 2790 1 7 . 1 1 66 66 THR H H 66 8.704 8.704 8.704 0.000 25973 2791 1 7 . 1 1 67 67 LEU N N 67 127.157 127.157 128.473 -1.316 25973 2792 1 7 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.552 0.399 25973 2793 1 7 . 1 1 67 67 LEU C C 67 173.090 173.090 175.811 -2.721 25973 2794 1 7 . 1 1 67 67 LEU CA C 67 51.708 51.708 54.003 -2.295 25973 2795 1 7 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.381 -2.990 25973 2796 1 7 . 1 1 67 67 LEU H H 67 9.318 9.318 9.186 0.132 25973 2797 1 7 . 1 1 68 68 HIS N N 68 118.227 118.227 122.028 -3.801 25973 2798 1 7 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.935 0.235 25973 2799 1 7 . 1 1 68 68 HIS C C 68 170.031 170.031 174.461 -4.430 25973 2800 1 7 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.755 -3.691 25973 2801 1 7 . 1 1 68 68 HIS CB C 68 27.536 27.536 29.842 -2.306 25973 2802 1 7 . 1 1 68 68 HIS H H 68 9.141 9.141 9.312 -0.171 25973 2803 1 7 . 1 1 69 69 LEU N N 69 124.847 124.847 128.420 -3.573 25973 2804 1 7 . 1 1 69 69 LEU HA H 69 5.108 5.108 4.984 0.124 25973 2805 1 7 . 1 1 69 69 LEU C C 69 172.304 172.304 174.962 -2.658 25973 2806 1 7 . 1 1 69 69 LEU CA C 69 51.646 51.646 54.017 -2.371 25973 2807 1 7 . 1 1 69 69 LEU CB C 69 41.603 41.603 42.648 -1.045 25973 2808 1 7 . 1 1 69 69 LEU H H 69 8.332 8.332 8.889 -0.557 25973 2809 1 7 . 1 1 70 70 VAL N N 70 128.173 128.173 127.539 0.634 25973 2810 1 7 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.460 -0.010 25973 2811 1 7 . 1 1 70 70 VAL C C 70 177.746 177.746 174.445 3.301 25973 2812 1 7 . 1 1 70 70 VAL CA C 70 58.395 58.395 60.594 -2.200 25973 2813 1 7 . 1 1 70 70 VAL CB C 70 31.198 31.198 34.647 -3.449 25973 2814 1 7 . 1 1 70 70 VAL H H 70 9.159 9.159 9.150 0.009 25973 2815 1 7 . 1 1 71 71 LEU N N 71 124.557 124.557 123.805 0.752 25973 2816 1 7 . 1 1 71 71 LEU HA H 71 4.922 4.922 4.907 0.015 25973 2817 1 7 . 1 1 71 71 LEU C C 71 174.917 174.917 176.516 -1.599 25973 2818 1 7 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.356 -1.526 25973 2819 1 7 . 1 1 71 71 LEU CB C 71 39.997 39.997 43.102 -3.105 25973 2820 1 7 . 1 1 71 71 LEU H H 71 8.273 8.273 8.477 -0.204 25973 2821 1 7 . 1 1 72 72 ARG N N 72 123.440 123.440 124.417 -0.977 25973 2822 1 7 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.556 -0.307 25973 2823 1 7 . 1 1 72 72 ARG C C 72 172.657 172.657 175.891 -3.234 25973 2824 1 7 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.181 -2.435 25973 2825 1 7 . 1 1 72 72 ARG CB C 72 28.058 28.058 30.941 -2.883 25973 2826 1 7 . 1 1 72 72 ARG H H 72 8.532 8.532 7.943 0.589 25973 2827 1 7 . 1 1 73 73 LEU N N 73 124.189 124.189 124.256 -0.067 25973 2828 1 7 . 1 1 73 73 LEU HA H 73 4.271 4.271 3.969 0.302 25973 2829 1 7 . 1 1 73 73 LEU C C 73 174.691 174.691 175.486 -0.795 25973 2830 1 7 . 1 1 73 73 LEU CA C 73 52.361 52.361 55.040 -2.679 25973 2831 1 7 . 1 1 73 73 LEU CB C 73 39.708 39.708 41.424 -1.716 25973 2832 1 7 . 1 1 73 73 LEU H H 73 8.289 8.289 8.717 -0.428 25973 2833 1 7 . 1 1 74 74 ARG N N 74 121.162 121.162 122.981 -1.819 25973 2834 1 7 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.429 -0.182 25973 2835 1 7 . 1 1 74 74 ARG C C 74 173.901 173.901 177.496 -3.595 25973 2836 1 7 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.672 -2.047 25973 2837 1 7 . 1 1 74 74 ARG CB C 74 28.134 28.134 31.353 -3.219 25973 2838 1 7 . 1 1 74 74 ARG H H 74 8.268 8.268 7.929 0.339 25973 2839 1 7 . 1 1 75 75 GLY N N 75 110.230 110.230 113.673 -3.443 25973 2840 1 7 . 1 1 75 75 GLY C C 75 171.504 171.504 174.747 -3.243 25973 2841 1 7 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.628 -2.224 25973 2842 1 7 . 1 1 75 75 GLY H H 75 8.367 8.367 8.904 -0.537 25973 2843 1 8 . 1 1 2 2 GLN N N 2 124.960 124.960 118.099 6.861 25973 2844 1 8 . 1 1 2 2 GLN HA H 2 5.089 5.089 4.981 0.108 25973 2845 1 8 . 1 1 2 2 GLN C C 2 172.479 172.479 173.341 -0.862 25973 2846 1 8 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.972 -2.652 25973 2847 1 8 . 1 1 2 2 GLN CB C 2 28.181 28.181 32.284 -4.103 25973 2848 1 8 . 1 1 2 2 GLN H H 2 8.807 8.807 8.287 0.520 25973 2849 1 8 . 1 1 3 3 ILE N N 3 116.556 116.556 113.933 2.623 25973 2850 1 8 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.385 -0.207 25973 2851 1 8 . 1 1 3 3 ILE C C 3 169.813 169.813 172.981 -3.168 25973 2852 1 8 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.721 -3.100 25973 2853 1 8 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.658 -2.553 25973 2854 1 8 . 1 1 3 3 ILE H H 3 8.237 8.237 8.237 0.000 25973 2855 1 8 . 1 1 4 4 PHE N N 4 118.417 118.417 118.016 0.401 25973 2856 1 8 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.523 -0.024 25973 2857 1 8 . 1 1 4 4 PHE C C 4 172.505 172.505 174.676 -2.171 25973 2858 1 8 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.013 -3.189 25973 2859 1 8 . 1 1 4 4 PHE CB C 4 38.890 38.890 42.972 -4.082 25973 2860 1 8 . 1 1 4 4 PHE H H 4 8.675 8.675 8.866 -0.191 25973 2861 1 8 . 1 1 5 5 VAL N N 5 120.755 120.755 122.609 -1.854 25973 2862 1 8 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.611 -0.024 25973 2863 1 8 . 1 1 5 5 VAL C C 5 172.070 172.070 174.689 -2.619 25973 2864 1 8 . 1 1 5 5 VAL CA C 5 58.120 58.120 60.481 -2.361 25973 2865 1 8 . 1 1 5 5 VAL CB C 5 32.048 32.048 33.412 -1.364 25973 2866 1 8 . 1 1 5 5 VAL H H 5 9.190 9.190 9.196 -0.006 25973 2867 1 8 . 1 1 6 6 LYS N N 6 127.964 127.964 128.460 -0.496 25973 2868 1 8 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.708 0.530 25973 2869 1 8 . 1 1 6 6 LYS C C 6 174.119 174.119 175.723 -1.604 25973 2870 1 8 . 1 1 6 6 LYS CA C 6 51.871 51.871 55.000 -3.129 25973 2871 1 8 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.840 -2.172 25973 2872 1 8 . 1 1 6 6 LYS H H 6 8.758 8.758 9.157 -0.399 25973 2873 1 8 . 1 1 7 7 THR N N 7 115.618 115.618 117.601 -1.983 25973 2874 1 8 . 1 1 7 7 THR HA H 7 4.912 4.912 4.652 0.260 25973 2875 1 8 . 1 1 7 7 THR C C 7 173.994 173.994 175.731 -1.737 25973 2876 1 8 . 1 1 7 7 THR CA C 7 57.844 57.844 59.985 -2.141 25973 2877 1 8 . 1 1 7 7 THR CB C 7 68.137 68.137 70.757 -2.620 25973 2878 1 8 . 1 1 7 7 THR H H 7 8.573 8.573 8.054 0.519 25973 2879 1 8 . 1 1 8 8 LEU N N 8 122.083 122.083 118.949 3.134 25973 2880 1 8 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.355 -0.146 25973 2881 1 8 . 1 1 8 8 LEU C C 8 176.005 176.005 177.676 -1.671 25973 2882 1 8 . 1 1 8 8 LEU CA C 8 55.656 55.656 56.602 -0.947 25973 2883 1 8 . 1 1 8 8 LEU CB C 8 39.247 39.247 42.093 -2.846 25973 2884 1 8 . 1 1 8 8 LEU H H 8 9.034 9.034 8.578 0.456 25973 2885 1 8 . 1 1 9 9 THR N N 9 105.803 105.803 108.873 -3.070 25973 2886 1 8 . 1 1 9 9 THR HA H 9 4.503 4.503 4.416 0.087 25973 2887 1 8 . 1 1 9 9 THR C C 9 172.624 172.624 175.722 -3.098 25973 2888 1 8 . 1 1 9 9 THR CA C 9 58.961 58.961 61.657 -2.696 25973 2889 1 8 . 1 1 9 9 THR CB C 9 66.541 66.541 69.791 -3.250 25973 2890 1 8 . 1 1 9 9 THR H H 9 7.582 7.582 7.640 -0.058 25973 2891 1 8 . 1 1 10 10 GLY N N 10 109.254 109.254 111.109 -1.855 25973 2892 1 8 . 1 1 10 10 GLY C C 10 171.405 171.405 174.343 -2.938 25973 2893 1 8 . 1 1 10 10 GLY CA C 10 42.653 42.653 44.710 -2.057 25973 2894 1 8 . 1 1 10 10 GLY H H 10 7.770 7.770 7.495 0.275 25973 2895 1 8 . 1 1 11 11 LYS N N 11 121.278 121.278 123.784 -2.506 25973 2896 1 8 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.065 0.243 25973 2897 1 8 . 1 1 11 11 LYS C C 11 173.489 173.489 175.905 -2.416 25973 2898 1 8 . 1 1 11 11 LYS CA C 11 53.385 53.385 56.908 -3.523 25973 2899 1 8 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.849 -2.676 25973 2900 1 8 . 1 1 11 11 LYS H H 11 7.313 7.313 7.590 -0.277 25973 2901 1 8 . 1 1 12 12 THR N N 12 120.644 120.644 122.261 -1.617 25973 2902 1 8 . 1 1 12 12 THR HA H 12 4.972 4.972 5.074 -0.102 25973 2903 1 8 . 1 1 12 12 THR C C 12 171.547 171.547 174.650 -3.103 25973 2904 1 8 . 1 1 12 12 THR CA C 12 59.880 59.880 62.482 -2.602 25973 2905 1 8 . 1 1 12 12 THR CB C 12 67.386 67.386 69.448 -2.062 25973 2906 1 8 . 1 1 12 12 THR H H 12 8.659 8.659 8.219 0.440 25973 2907 1 8 . 1 1 13 13 ILE N N 13 125.497 125.497 128.184 -2.687 25973 2908 1 8 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.483 0.055 25973 2909 1 8 . 1 1 13 13 ILE C C 13 172.300 172.300 175.547 -3.247 25973 2910 1 8 . 1 1 13 13 ILE CA C 13 57.114 57.114 59.994 -2.880 25973 2911 1 8 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.759 -1.064 25973 2912 1 8 . 1 1 13 13 ILE H H 13 9.169 9.169 8.640 0.529 25973 2913 1 8 . 1 1 14 14 THR N N 14 120.078 120.078 121.615 -1.537 25973 2914 1 8 . 1 1 14 14 THR HA H 14 4.883 4.883 4.928 -0.045 25973 2915 1 8 . 1 1 14 14 THR C C 14 170.915 170.915 173.811 -2.896 25973 2916 1 8 . 1 1 14 14 THR CA C 14 58.998 58.998 61.183 -2.185 25973 2917 1 8 . 1 1 14 14 THR CB C 14 67.221 67.221 69.446 -2.225 25973 2918 1 8 . 1 1 14 14 THR H H 14 8.596 8.596 8.457 0.139 25973 2919 1 8 . 1 1 15 15 LEU N N 15 124.381 124.381 127.303 -2.922 25973 2920 1 8 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.625 0.131 25973 2921 1 8 . 1 1 15 15 LEU C C 15 172.377 172.377 174.857 -2.480 25973 2922 1 8 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.473 -3.472 25973 2923 1 8 . 1 1 15 15 LEU CB C 15 44.121 44.121 46.184 -2.063 25973 2924 1 8 . 1 1 15 15 LEU H H 15 8.706 8.706 8.034 0.672 25973 2925 1 8 . 1 1 16 16 GLU N N 16 122.156 122.156 123.690 -1.534 25973 2926 1 8 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.487 0.365 25973 2927 1 8 . 1 1 16 16 GLU C C 16 172.785 172.785 174.804 -2.019 25973 2928 1 8 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.459 -3.742 25973 2929 1 8 . 1 1 16 16 GLU CB C 16 25.232 25.232 31.770 -6.538 25973 2930 1 8 . 1 1 16 16 GLU H H 16 8.259 8.259 8.631 -0.372 25973 2931 1 8 . 1 1 17 17 VAL N N 17 115.706 115.706 119.644 -3.938 25973 2932 1 8 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.621 0.012 25973 2933 1 8 . 1 1 17 17 VAL C C 17 171.495 171.495 174.505 -3.010 25973 2934 1 8 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.426 -3.759 25973 2935 1 8 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.627 -1.412 25973 2936 1 8 . 1 1 17 17 VAL H H 17 8.631 8.631 8.464 0.167 25973 2937 1 8 . 1 1 18 18 GLU N N 18 117.702 117.702 121.988 -4.286 25973 2938 1 8 . 1 1 18 18 GLU H H 18 7.705 7.705 9.345 -1.640 25973 2939 1 8 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.421 -0.384 25973 2940 1 8 . 1 1 19 19 PRO C C 19 172.411 172.411 175.949 -3.538 25973 2941 1 8 . 1 1 19 19 PRO CA C 19 62.565 62.565 63.700 -1.135 25973 2942 1 8 . 1 1 19 19 PRO CB C 19 29.354 29.354 31.890 -2.536 25973 2943 1 8 . 1 1 20 20 SER N N 20 104.376 104.376 110.574 -6.198 25973 2944 1 8 . 1 1 20 20 SER HA H 20 4.270 4.270 4.506 -0.236 25973 2945 1 8 . 1 1 20 20 SER C C 20 172.006 172.006 173.996 -1.990 25973 2946 1 8 . 1 1 20 20 SER CA C 20 54.697 54.697 57.342 -2.645 25973 2947 1 8 . 1 1 20 20 SER CB C 20 60.491 60.491 64.127 -3.636 25973 2948 1 8 . 1 1 20 20 SER H H 20 7.127 7.127 7.583 -0.456 25973 2949 1 8 . 1 1 21 21 ASP N N 21 121.646 121.646 124.261 -2.615 25973 2950 1 8 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.931 -0.217 25973 2951 1 8 . 1 1 21 21 ASP C C 21 172.786 172.786 175.965 -3.179 25973 2952 1 8 . 1 1 21 21 ASP CA C 21 51.436 51.436 53.908 -2.472 25973 2953 1 8 . 1 1 21 21 ASP CB C 21 36.288 36.288 42.012 -5.724 25973 2954 1 8 . 1 1 21 21 ASP H H 21 7.890 7.890 7.952 -0.062 25973 2955 1 8 . 1 1 22 22 THR N N 22 109.295 109.295 111.400 -2.105 25973 2956 1 8 . 1 1 22 22 THR HA H 22 4.833 4.833 4.506 0.327 25973 2957 1 8 . 1 1 22 22 THR C C 22 173.653 173.653 176.111 -2.458 25973 2958 1 8 . 1 1 22 22 THR CA C 22 57.439 57.439 59.999 -2.560 25973 2959 1 8 . 1 1 22 22 THR CB C 22 68.925 68.925 70.303 -1.378 25973 2960 1 8 . 1 1 22 22 THR H H 22 8.202 8.202 8.154 0.048 25973 2961 1 8 . 1 1 23 23 ILE N N 23 121.424 121.424 122.173 -0.749 25973 2962 1 8 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.875 -0.279 25973 2963 1 8 . 1 1 23 23 ILE C C 23 176.250 176.250 177.666 -1.416 25973 2964 1 8 . 1 1 23 23 ILE CA C 23 59.208 59.208 63.420 -4.212 25973 2965 1 8 . 1 1 23 23 ILE CB C 23 31.692 31.692 37.089 -5.397 25973 2966 1 8 . 1 1 23 23 ILE H H 23 8.450 8.450 8.533 -0.083 25973 2967 1 8 . 1 1 24 24 GLU N N 24 120.359 120.359 120.251 0.108 25973 2968 1 8 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.989 -0.175 25973 2969 1 8 . 1 1 24 24 GLU C C 24 175.008 175.008 178.739 -3.731 25973 2970 1 8 . 1 1 24 24 GLU CA C 24 56.671 56.671 60.147 -3.476 25973 2971 1 8 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.284 -3.698 25973 2972 1 8 . 1 1 24 24 GLU H H 24 8.802 8.802 8.351 0.451 25973 2973 1 8 . 1 1 25 25 ASN N N 25 119.035 119.035 117.883 1.152 25973 2974 1 8 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.501 -0.108 25973 2975 1 8 . 1 1 25 25 ASN C C 25 175.438 175.438 177.313 -1.875 25973 2976 1 8 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.073 -2.418 25973 2977 1 8 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.635 -2.366 25973 2978 1 8 . 1 1 25 25 ASN H H 25 7.928 7.928 7.760 0.168 25973 2979 1 8 . 1 1 26 26 ALA N N 26 122.272 122.272 123.713 -1.441 25973 2980 1 8 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.926 -0.115 25973 2981 1 8 . 1 1 26 26 ALA C C 26 176.256 176.256 179.324 -3.068 25973 2982 1 8 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.211 -2.165 25973 2983 1 8 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.322 -5.067 25973 2984 1 8 . 1 1 26 26 ALA H H 26 7.949 7.949 7.586 0.363 25973 2985 1 8 . 1 1 27 27 LYS N N 27 117.069 117.069 118.761 -1.692 25973 2986 1 8 . 1 1 27 27 LYS H H 27 8.469 8.469 8.132 0.338 25973 2987 1 8 . 1 1 28 28 ALA HA H 28 4.069 4.069 3.972 0.097 25973 2988 1 8 . 1 1 28 28 ALA C C 28 177.699 177.699 179.342 -1.643 25973 2989 1 8 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.318 -2.751 25973 2990 1 8 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.260 -3.307 25973 2991 1 8 . 1 1 29 29 LYS N N 29 119.644 119.644 119.459 0.185 25973 2992 1 8 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.970 0.131 25973 2993 1 8 . 1 1 29 29 LYS C C 29 177.487 177.487 179.083 -1.596 25973 2994 1 8 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.506 -2.681 25973 2995 1 8 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.393 -2.171 25973 2996 1 8 . 1 1 29 29 LYS H H 29 7.726 7.726 7.924 -0.198 25973 2997 1 8 . 1 1 30 30 ILE N N 30 121.905 121.905 120.110 1.795 25973 2998 1 8 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.645 0.537 25973 2999 1 8 . 1 1 30 30 ILE C C 30 175.724 175.724 177.833 -2.109 25973 3000 1 8 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.105 -1.560 25973 3001 1 8 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.819 -3.614 25973 3002 1 8 . 1 1 30 30 ILE H H 30 8.206 8.206 7.841 0.365 25973 3003 1 8 . 1 1 31 31 GLN N N 31 123.624 123.624 121.360 2.264 25973 3004 1 8 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.177 -0.441 25973 3005 1 8 . 1 1 31 31 GLN C C 31 176.118 176.118 178.586 -2.468 25973 3006 1 8 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.143 -2.045 25973 3007 1 8 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.185 -2.635 25973 3008 1 8 . 1 1 31 31 GLN H H 31 8.597 8.597 8.088 0.509 25973 3009 1 8 . 1 1 32 32 ASP N N 32 118.441 118.441 118.895 -0.454 25973 3010 1 8 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.513 -0.200 25973 3011 1 8 . 1 1 32 32 ASP C C 32 173.568 173.568 177.978 -4.410 25973 3012 1 8 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.292 -2.928 25973 3013 1 8 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.817 -5.664 25973 3014 1 8 . 1 1 32 32 ASP H H 32 7.994 7.994 8.084 -0.090 25973 3015 1 8 . 1 1 33 33 LYS N N 33 115.568 115.568 118.824 -3.256 25973 3016 1 8 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.315 -0.020 25973 3017 1 8 . 1 1 33 33 LYS C C 33 174.935 174.935 178.033 -3.098 25973 3018 1 8 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.897 -2.466 25973 3019 1 8 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.493 -1.680 25973 3020 1 8 . 1 1 33 33 LYS H H 33 7.383 7.383 7.632 -0.249 25973 3021 1 8 . 1 1 34 34 GLU N N 34 113.069 113.069 116.100 -3.031 25973 3022 1 8 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.429 0.190 25973 3023 1 8 . 1 1 34 34 GLU C C 34 174.551 174.551 177.350 -2.799 25973 3024 1 8 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.069 -3.847 25973 3025 1 8 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.168 -1.254 25973 3026 1 8 . 1 1 34 34 GLU H H 34 8.697 8.697 8.444 0.253 25973 3027 1 8 . 1 1 35 35 GLY N N 35 108.734 108.734 108.989 -0.255 25973 3028 1 8 . 1 1 35 35 GLY C C 35 170.888 170.888 174.169 -3.281 25973 3029 1 8 . 1 1 35 35 GLY H H 35 8.564 8.564 8.130 0.434 25973 3030 1 8 . 1 1 36 36 ILE N N 36 116.747 116.747 120.684 -3.937 25973 3031 1 8 . 1 1 36 36 ILE H H 36 6.763 6.763 7.297 -0.534 25973 3032 1 8 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.279 -0.287 25973 3033 1 8 . 1 1 38 38 PRO C C 38 175.657 175.657 178.173 -2.516 25973 3034 1 8 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.182 -1.448 25973 3035 1 8 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.758 -1.599 25973 3036 1 8 . 1 1 39 39 ASP N N 39 113.150 113.150 118.448 -5.298 25973 3037 1 8 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.514 -0.109 25973 3038 1 8 . 1 1 39 39 ASP C C 39 173.637 173.637 177.166 -3.529 25973 3039 1 8 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.392 -4.429 25973 3040 1 8 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.597 -6.298 25973 3041 1 8 . 1 1 39 39 ASP H H 39 8.758 8.758 8.827 -0.069 25973 3042 1 8 . 1 1 40 40 GLN N N 40 118.365 118.365 116.004 2.361 25973 3043 1 8 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.545 -0.144 25973 3044 1 8 . 1 1 40 40 GLN C C 40 172.173 172.173 173.831 -1.658 25973 3045 1 8 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.193 -2.267 25973 3046 1 8 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.697 -2.274 25973 3047 1 8 . 1 1 40 40 GLN H H 40 7.949 7.949 7.591 0.358 25973 3048 1 8 . 1 1 41 41 GLN N N 41 117.813 117.813 119.055 -1.242 25973 3049 1 8 . 1 1 41 41 GLN C C 41 172.785 172.785 175.004 -2.219 25973 3050 1 8 . 1 1 41 41 GLN H H 41 7.490 7.490 7.235 0.255 25973 3051 1 8 . 1 1 42 42 ARG N N 42 115.761 115.761 127.061 -11.300 25973 3052 1 8 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.696 -0.269 25973 3053 1 8 . 1 1 42 42 ARG C C 42 171.412 171.412 174.168 -2.756 25973 3054 1 8 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.177 -2.865 25973 3055 1 8 . 1 1 42 42 ARG CB C 42 28.635 28.635 33.559 -4.924 25973 3056 1 8 . 1 1 42 42 ARG H H 42 8.631 8.631 8.807 -0.176 25973 3057 1 8 . 1 1 43 43 LEU N N 43 124.185 124.185 126.794 -2.609 25973 3058 1 8 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.773 0.521 25973 3059 1 8 . 1 1 43 43 LEU C C 43 172.374 172.374 175.883 -3.509 25973 3060 1 8 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.526 -3.672 25973 3061 1 8 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.337 -0.224 25973 3062 1 8 . 1 1 43 43 LEU H H 43 8.673 8.673 8.753 -0.080 25973 3063 1 8 . 1 1 44 44 ILE N N 44 122.386 122.386 126.418 -4.032 25973 3064 1 8 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.385 0.534 25973 3065 1 8 . 1 1 44 44 ILE C C 44 173.248 173.248 174.006 -0.758 25973 3066 1 8 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.273 -3.846 25973 3067 1 8 . 1 1 44 44 ILE CB C 44 39.130 39.130 41.510 -2.380 25973 3068 1 8 . 1 1 44 44 ILE H H 44 8.970 8.970 9.221 -0.251 25973 3069 1 8 . 1 1 45 45 PHE N N 45 125.287 125.287 127.442 -2.155 25973 3070 1 8 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.566 0.389 25973 3071 1 8 . 1 1 45 45 PHE C C 45 171.645 171.645 173.338 -1.693 25973 3072 1 8 . 1 1 45 45 PHE CA C 45 54.395 54.395 57.748 -3.353 25973 3073 1 8 . 1 1 45 45 PHE CB C 45 41.282 41.282 41.590 -0.308 25973 3074 1 8 . 1 1 45 45 PHE H H 45 8.658 8.658 8.346 0.312 25973 3075 1 8 . 1 1 46 46 ALA N N 46 100.596 100.596 125.805 -25.209 25973 3076 1 8 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.276 0.350 25973 3077 1 8 . 1 1 46 46 ALA C C 46 174.527 174.527 177.775 -3.248 25973 3078 1 8 . 1 1 46 46 ALA CA C 46 49.877 49.877 51.358 -1.481 25973 3079 1 8 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.251 -3.384 25973 3080 1 8 . 1 1 46 46 ALA H H 46 8.687 8.687 7.872 0.815 25973 3081 1 8 . 1 1 47 47 GLY N N 47 102.825 102.825 107.946 -5.121 25973 3082 1 8 . 1 1 47 47 GLY C C 47 171.138 171.138 174.381 -3.243 25973 3083 1 8 . 1 1 47 47 GLY CA C 47 42.658 42.658 45.239 -2.581 25973 3084 1 8 . 1 1 47 47 GLY H H 47 8.193 8.193 8.289 -0.096 25973 3085 1 8 . 1 1 48 48 LYS N N 48 121.451 121.451 119.049 2.402 25973 3086 1 8 . 1 1 48 48 LYS HA H 48 4.542 4.542 3.924 0.618 25973 3087 1 8 . 1 1 48 48 LYS C C 48 171.954 171.954 175.609 -3.655 25973 3088 1 8 . 1 1 48 48 LYS CA C 48 51.653 51.653 56.710 -5.057 25973 3089 1 8 . 1 1 48 48 LYS CB C 48 31.761 31.761 32.047 -0.286 25973 3090 1 8 . 1 1 48 48 LYS H H 48 7.888 7.888 7.539 0.349 25973 3091 1 8 . 1 1 49 49 GLN N N 49 121.884 121.884 122.091 -0.207 25973 3092 1 8 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.305 0.113 25973 3093 1 8 . 1 1 49 49 GLN C C 49 173.073 173.073 175.605 -2.532 25973 3094 1 8 . 1 1 49 49 GLN CA C 49 52.999 52.999 56.102 -3.103 25973 3095 1 8 . 1 1 49 49 GLN CB C 49 26.041 26.041 28.922 -2.881 25973 3096 1 8 . 1 1 49 49 GLN H H 49 8.521 8.521 8.570 -0.049 25973 3097 1 8 . 1 1 50 50 LEU N N 50 125.208 125.208 118.840 6.368 25973 3098 1 8 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.686 -0.741 25973 3099 1 8 . 1 1 50 50 LEU C C 50 173.823 173.823 176.473 -2.650 25973 3100 1 8 . 1 1 50 50 LEU CA C 50 51.582 51.582 52.470 -0.888 25973 3101 1 8 . 1 1 50 50 LEU CB C 50 38.906 38.906 42.887 -3.981 25973 3102 1 8 . 1 1 50 50 LEU H H 50 8.427 8.427 7.494 0.933 25973 3103 1 8 . 1 1 51 51 GLU N N 51 122.400 122.400 121.049 1.351 25973 3104 1 8 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.294 0.130 25973 3105 1 8 . 1 1 51 51 GLU C C 51 173.730 173.730 177.390 -3.660 25973 3106 1 8 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.766 -2.945 25973 3107 1 8 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.571 -3.495 25973 3108 1 8 . 1 1 51 51 GLU H H 51 8.333 8.333 8.361 -0.028 25973 3109 1 8 . 1 1 52 52 ASP N N 52 119.615 119.615 122.949 -3.334 25973 3110 1 8 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.413 -0.154 25973 3111 1 8 . 1 1 52 52 ASP C C 52 173.507 173.507 177.453 -3.946 25973 3112 1 8 . 1 1 52 52 ASP CA C 52 53.536 53.536 55.772 -2.236 25973 3113 1 8 . 1 1 52 52 ASP CB C 52 36.441 36.441 40.586 -4.145 25973 3114 1 8 . 1 1 52 52 ASP H H 52 8.490 8.490 8.790 -0.300 25973 3115 1 8 . 1 1 53 53 GLY N N 53 104.158 104.158 106.240 -2.082 25973 3116 1 8 . 1 1 53 53 GLY C C 53 172.296 172.296 175.037 -2.741 25973 3117 1 8 . 1 1 53 53 GLY CA C 53 42.633 42.633 45.771 -3.138 25973 3118 1 8 . 1 1 53 53 GLY H H 53 8.622 8.622 8.056 0.566 25973 3119 1 8 . 1 1 54 54 ARG N N 54 119.010 119.010 119.512 -0.502 25973 3120 1 8 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.580 -0.112 25973 3121 1 8 . 1 1 54 54 ARG C C 54 172.237 172.237 174.812 -2.575 25973 3122 1 8 . 1 1 54 54 ARG CA C 54 51.747 51.747 54.921 -3.174 25973 3123 1 8 . 1 1 54 54 ARG CB C 54 29.572 29.572 32.573 -3.001 25973 3124 1 8 . 1 1 54 54 ARG H H 54 7.397 7.397 7.604 -0.207 25973 3125 1 8 . 1 1 55 55 THR N N 55 106.762 106.762 111.929 -5.167 25973 3126 1 8 . 1 1 55 55 THR HA H 55 4.545 4.545 4.573 -0.028 25973 3127 1 8 . 1 1 55 55 THR C C 55 173.492 173.492 176.512 -3.020 25973 3128 1 8 . 1 1 55 55 THR CA C 55 57.122 57.122 59.983 -2.861 25973 3129 1 8 . 1 1 55 55 THR CB C 55 69.087 69.087 71.141 -2.054 25973 3130 1 8 . 1 1 55 55 THR H H 55 7.536 7.536 8.258 -0.722 25973 3131 1 8 . 1 1 56 56 LEU N N 56 119.096 119.096 122.712 -3.616 25973 3132 1 8 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.181 -0.219 25973 3133 1 8 . 1 1 56 56 LEU C C 56 178.169 178.169 179.025 -0.856 25973 3134 1 8 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.560 -1.284 25973 3135 1 8 . 1 1 56 56 LEU CB C 56 37.245 37.245 40.471 -3.225 25973 3136 1 8 . 1 1 56 56 LEU H H 56 8.258 8.258 8.774 -0.516 25973 3137 1 8 . 1 1 57 57 SER N N 57 113.389 113.389 115.136 -1.747 25973 3138 1 8 . 1 1 57 57 SER HA H 57 4.180 4.180 4.262 -0.082 25973 3139 1 8 . 1 1 57 57 SER C C 57 175.491 175.491 176.851 -1.360 25973 3140 1 8 . 1 1 57 57 SER CA C 57 57.967 57.967 61.515 -3.548 25973 3141 1 8 . 1 1 57 57 SER CB C 57 59.730 59.730 62.419 -2.689 25973 3142 1 8 . 1 1 57 57 SER H H 57 8.484 8.484 8.313 0.171 25973 3143 1 8 . 1 1 58 58 ASP N N 58 122.795 122.795 122.312 0.483 25973 3144 1 8 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.448 -0.174 25973 3145 1 8 . 1 1 58 58 ASP C C 58 173.529 173.529 176.839 -3.310 25973 3146 1 8 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.626 -3.807 25973 3147 1 8 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.480 -5.820 25973 3148 1 8 . 1 1 58 58 ASP H H 58 7.893 7.893 7.845 0.048 25973 3149 1 8 . 1 1 59 59 TYR N N 59 116.135 116.135 118.179 -2.044 25973 3150 1 8 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.431 0.192 25973 3151 1 8 . 1 1 59 59 TYR C C 59 171.756 171.756 174.859 -3.103 25973 3152 1 8 . 1 1 59 59 TYR CA C 59 55.546 55.546 59.509 -3.963 25973 3153 1 8 . 1 1 59 59 TYR CB C 59 37.146 37.146 39.236 -2.090 25973 3154 1 8 . 1 1 59 59 TYR H H 59 7.243 7.243 7.632 -0.389 25973 3155 1 8 . 1 1 60 60 ASN N N 60 115.660 115.660 116.006 -0.346 25973 3156 1 8 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.365 -0.084 25973 3157 1 8 . 1 1 60 60 ASN C C 60 171.419 171.419 174.757 -3.338 25973 3158 1 8 . 1 1 60 60 ASN CA C 60 51.470 51.470 54.195 -2.725 25973 3159 1 8 . 1 1 60 60 ASN CB C 60 34.647 34.647 35.664 -1.017 25973 3160 1 8 . 1 1 60 60 ASN H H 60 8.108 8.108 8.284 -0.176 25973 3161 1 8 . 1 1 61 61 ILE N N 61 118.591 118.591 119.845 -1.254 25973 3162 1 8 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.819 -0.560 25973 3163 1 8 . 1 1 61 61 ILE C C 61 171.673 171.673 175.898 -4.225 25973 3164 1 8 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.960 -3.223 25973 3165 1 8 . 1 1 61 61 ILE CB C 61 34.117 34.117 37.517 -3.400 25973 3166 1 8 . 1 1 61 61 ILE H H 61 7.031 7.031 8.246 -1.215 25973 3167 1 8 . 1 1 62 62 GLN N N 62 125.176 125.176 126.739 -1.563 25973 3168 1 8 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.550 -0.082 25973 3169 1 8 . 1 1 62 62 GLN C C 62 172.907 172.907 175.563 -2.656 25973 3170 1 8 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.873 -3.926 25973 3171 1 8 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.420 -1.120 25973 3172 1 8 . 1 1 62 62 GLN H H 62 7.645 7.645 8.507 -0.862 25973 3173 1 8 . 1 1 63 63 LYS N N 63 120.040 120.040 119.452 0.588 25973 3174 1 8 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.182 -0.272 25973 3175 1 8 . 1 1 63 63 LYS C C 63 173.589 173.589 176.695 -3.106 25973 3176 1 8 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.773 -1.481 25973 3177 1 8 . 1 1 63 63 LYS CB C 63 29.920 29.920 33.078 -3.158 25973 3178 1 8 . 1 1 63 63 LYS H H 63 8.416 8.416 8.350 0.066 25973 3179 1 8 . 1 1 64 64 GLU N N 64 113.699 113.699 115.969 -2.270 25973 3180 1 8 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.157 -0.641 25973 3181 1 8 . 1 1 64 64 GLU C C 64 172.267 172.267 175.650 -3.383 25973 3182 1 8 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.922 -3.207 25973 3183 1 8 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.078 -5.277 25973 3184 1 8 . 1 1 64 64 GLU H H 64 9.180 9.180 8.848 0.332 25973 3185 1 8 . 1 1 65 65 SER N N 65 115.564 115.564 114.227 1.337 25973 3186 1 8 . 1 1 65 65 SER HA H 65 4.531 4.531 4.569 -0.038 25973 3187 1 8 . 1 1 65 65 SER C C 65 169.375 169.375 173.919 -4.544 25973 3188 1 8 . 1 1 65 65 SER CA C 65 58.422 58.422 58.775 -0.353 25973 3189 1 8 . 1 1 65 65 SER CB C 65 62.153 62.153 64.817 -2.664 25973 3190 1 8 . 1 1 65 65 SER H H 65 7.818 7.818 7.604 0.214 25973 3191 1 8 . 1 1 66 66 THR N N 66 117.311 117.311 121.292 -3.981 25973 3192 1 8 . 1 1 66 66 THR HA H 66 5.106 5.106 4.869 0.237 25973 3193 1 8 . 1 1 66 66 THR C C 66 171.057 171.057 174.275 -3.218 25973 3194 1 8 . 1 1 66 66 THR CA C 66 59.814 59.814 62.116 -2.302 25973 3195 1 8 . 1 1 66 66 THR CB C 66 67.491 67.491 69.031 -1.540 25973 3196 1 8 . 1 1 66 66 THR H H 66 8.704 8.704 8.515 0.189 25973 3197 1 8 . 1 1 67 67 LEU N N 67 127.157 127.157 128.323 -1.166 25973 3198 1 8 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.621 0.330 25973 3199 1 8 . 1 1 67 67 LEU C C 67 173.090 173.090 175.980 -2.890 25973 3200 1 8 . 1 1 67 67 LEU CA C 67 51.708 51.708 54.485 -2.777 25973 3201 1 8 . 1 1 67 67 LEU CB C 67 41.391 41.391 43.608 -2.217 25973 3202 1 8 . 1 1 67 67 LEU H H 67 9.318 9.318 9.205 0.113 25973 3203 1 8 . 1 1 68 68 HIS N N 68 118.227 118.227 120.627 -2.400 25973 3204 1 8 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.850 0.320 25973 3205 1 8 . 1 1 68 68 HIS C C 68 170.031 170.031 174.070 -4.039 25973 3206 1 8 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.007 -2.943 25973 3207 1 8 . 1 1 68 68 HIS CB C 68 27.536 27.536 29.745 -2.209 25973 3208 1 8 . 1 1 68 68 HIS H H 68 9.141 9.141 9.067 0.074 25973 3209 1 8 . 1 1 69 69 LEU N N 69 124.847 124.847 127.048 -2.201 25973 3210 1 8 . 1 1 69 69 LEU HA H 69 5.108 5.108 4.733 0.375 25973 3211 1 8 . 1 1 69 69 LEU C C 69 172.304 172.304 175.132 -2.828 25973 3212 1 8 . 1 1 69 69 LEU CA C 69 51.646 51.646 54.244 -2.598 25973 3213 1 8 . 1 1 69 69 LEU CB C 69 41.603 41.603 43.519 -1.916 25973 3214 1 8 . 1 1 69 69 LEU H H 69 8.332 8.332 8.590 -0.258 25973 3215 1 8 . 1 1 70 70 VAL N N 70 128.173 128.173 127.546 0.627 25973 3216 1 8 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.415 0.035 25973 3217 1 8 . 1 1 70 70 VAL C C 70 177.746 177.746 174.580 3.166 25973 3218 1 8 . 1 1 70 70 VAL CA C 70 58.395 58.395 61.150 -2.755 25973 3219 1 8 . 1 1 70 70 VAL CB C 70 31.198 31.198 33.957 -2.759 25973 3220 1 8 . 1 1 70 70 VAL H H 70 9.159 9.159 9.206 -0.047 25973 3221 1 8 . 1 1 71 71 LEU N N 71 124.557 124.557 126.018 -1.461 25973 3222 1 8 . 1 1 71 71 LEU HA H 71 4.922 4.922 4.901 0.021 25973 3223 1 8 . 1 1 71 71 LEU C C 71 174.917 174.917 176.201 -1.284 25973 3224 1 8 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.007 -1.177 25973 3225 1 8 . 1 1 71 71 LEU CB C 71 39.997 39.997 44.295 -4.298 25973 3226 1 8 . 1 1 71 71 LEU H H 71 8.273 8.273 8.482 -0.209 25973 3227 1 8 . 1 1 72 72 ARG N N 72 123.440 123.440 125.912 -2.472 25973 3228 1 8 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.303 -0.054 25973 3229 1 8 . 1 1 72 72 ARG C C 72 172.657 172.657 175.035 -2.378 25973 3230 1 8 . 1 1 72 72 ARG CA C 72 52.746 52.746 56.121 -3.375 25973 3231 1 8 . 1 1 72 72 ARG CB C 72 28.058 28.058 29.374 -1.316 25973 3232 1 8 . 1 1 72 72 ARG H H 72 8.532 8.532 8.606 -0.074 25973 3233 1 8 . 1 1 73 73 LEU N N 73 124.189 124.189 125.587 -1.398 25973 3234 1 8 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.475 -0.204 25973 3235 1 8 . 1 1 73 73 LEU C C 73 174.691 174.691 175.664 -0.973 25973 3236 1 8 . 1 1 73 73 LEU CA C 73 52.361 52.361 54.897 -2.536 25973 3237 1 8 . 1 1 73 73 LEU CB C 73 39.708 39.708 44.897 -5.189 25973 3238 1 8 . 1 1 73 73 LEU H H 73 8.289 8.289 8.226 0.063 25973 3239 1 8 . 1 1 74 74 ARG N N 74 121.162 121.162 125.292 -4.130 25973 3240 1 8 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.611 -0.364 25973 3241 1 8 . 1 1 74 74 ARG C C 74 173.901 173.901 176.629 -2.728 25973 3242 1 8 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.610 -1.985 25973 3243 1 8 . 1 1 74 74 ARG CB C 74 28.134 28.134 31.075 -2.941 25973 3244 1 8 . 1 1 74 74 ARG H H 74 8.268 8.268 8.484 -0.216 25973 3245 1 8 . 1 1 75 75 GLY N N 75 110.230 110.230 110.995 -0.765 25973 3246 1 8 . 1 1 75 75 GLY C C 75 171.504 171.504 174.545 -3.041 25973 3247 1 8 . 1 1 75 75 GLY CA C 75 42.404 42.404 45.202 -2.798 25973 3248 1 8 . 1 1 75 75 GLY H H 75 8.367 8.367 8.799 -0.432 25973 3249 1 9 . 1 1 2 2 GLN N N 2 124.960 124.960 120.713 4.247 25973 3250 1 9 . 1 1 2 2 GLN HA H 2 5.089 5.089 5.134 -0.045 25973 3251 1 9 . 1 1 2 2 GLN C C 2 172.479 172.479 174.493 -2.014 25973 3252 1 9 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.440 -2.120 25973 3253 1 9 . 1 1 2 2 GLN CB C 2 28.181 28.181 32.884 -4.703 25973 3254 1 9 . 1 1 2 2 GLN H H 2 8.807 8.807 8.282 0.525 25973 3255 1 9 . 1 1 3 3 ILE N N 3 116.556 116.556 115.184 1.372 25973 3256 1 9 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.354 -0.176 25973 3257 1 9 . 1 1 3 3 ILE C C 3 169.813 169.813 173.430 -3.617 25973 3258 1 9 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.732 -3.111 25973 3259 1 9 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.398 -2.293 25973 3260 1 9 . 1 1 3 3 ILE H H 3 8.237 8.237 8.502 -0.265 25973 3261 1 9 . 1 1 4 4 PHE N N 4 118.417 118.417 118.162 0.255 25973 3262 1 9 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.469 0.030 25973 3263 1 9 . 1 1 4 4 PHE C C 4 172.505 172.505 175.078 -2.573 25973 3264 1 9 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.009 -3.185 25973 3265 1 9 . 1 1 4 4 PHE CB C 4 38.890 38.890 42.950 -4.060 25973 3266 1 9 . 1 1 4 4 PHE H H 4 8.675 8.675 8.450 0.225 25973 3267 1 9 . 1 1 5 5 VAL N N 5 120.755 120.755 122.591 -1.836 25973 3268 1 9 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.677 -0.090 25973 3269 1 9 . 1 1 5 5 VAL C C 5 172.070 172.070 174.581 -2.511 25973 3270 1 9 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.568 -3.448 25973 3271 1 9 . 1 1 5 5 VAL CB C 5 32.048 32.048 33.992 -1.944 25973 3272 1 9 . 1 1 5 5 VAL H H 5 9.190 9.190 9.237 -0.047 25973 3273 1 9 . 1 1 6 6 LYS N N 6 127.964 127.964 129.508 -1.544 25973 3274 1 9 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.911 0.327 25973 3275 1 9 . 1 1 6 6 LYS C C 6 174.119 174.119 175.597 -1.478 25973 3276 1 9 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.586 -2.715 25973 3277 1 9 . 1 1 6 6 LYS CB C 6 32.668 32.668 35.184 -2.515 25973 3278 1 9 . 1 1 6 6 LYS H H 6 8.758 8.758 9.313 -0.555 25973 3279 1 9 . 1 1 7 7 THR N N 7 115.618 115.618 115.926 -0.308 25973 3280 1 9 . 1 1 7 7 THR HA H 7 4.912 4.912 5.262 -0.350 25973 3281 1 9 . 1 1 7 7 THR C C 7 173.994 173.994 176.478 -2.484 25973 3282 1 9 . 1 1 7 7 THR CA C 7 57.844 57.844 59.601 -1.757 25973 3283 1 9 . 1 1 7 7 THR CB C 7 68.137 68.137 71.983 -3.846 25973 3284 1 9 . 1 1 7 7 THR H H 7 8.573 8.573 7.996 0.577 25973 3285 1 9 . 1 1 8 8 LEU N N 8 122.083 122.083 120.496 1.587 25973 3286 1 9 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.245 -0.036 25973 3287 1 9 . 1 1 8 8 LEU C C 8 176.005 176.005 176.648 -0.643 25973 3288 1 9 . 1 1 8 8 LEU CA C 8 55.656 55.656 57.250 -1.594 25973 3289 1 9 . 1 1 8 8 LEU CB C 8 39.247 39.247 41.866 -2.619 25973 3290 1 9 . 1 1 8 8 LEU H H 8 9.034 9.034 8.328 0.706 25973 3291 1 9 . 1 1 9 9 THR N N 9 105.803 105.803 107.836 -2.033 25973 3292 1 9 . 1 1 9 9 THR HA H 9 4.503 4.503 4.369 0.134 25973 3293 1 9 . 1 1 9 9 THR C C 9 172.624 172.624 175.314 -2.690 25973 3294 1 9 . 1 1 9 9 THR CA C 9 58.961 58.961 61.284 -2.323 25973 3295 1 9 . 1 1 9 9 THR CB C 9 66.541 66.541 68.475 -1.934 25973 3296 1 9 . 1 1 9 9 THR H H 9 7.582 7.582 7.569 0.013 25973 3297 1 9 . 1 1 10 10 GLY N N 10 109.254 109.254 111.768 -2.514 25973 3298 1 9 . 1 1 10 10 GLY C C 10 171.405 171.405 173.170 -1.765 25973 3299 1 9 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.492 -2.839 25973 3300 1 9 . 1 1 10 10 GLY H H 10 7.770 7.770 7.932 -0.162 25973 3301 1 9 . 1 1 11 11 LYS N N 11 121.278 121.278 124.203 -2.925 25973 3302 1 9 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.455 -0.147 25973 3303 1 9 . 1 1 11 11 LYS C C 11 173.489 173.489 175.151 -1.662 25973 3304 1 9 . 1 1 11 11 LYS CA C 11 53.385 53.385 55.373 -1.988 25973 3305 1 9 . 1 1 11 11 LYS CB C 11 30.172 30.172 34.415 -4.243 25973 3306 1 9 . 1 1 11 11 LYS H H 11 7.313 7.313 7.830 -0.517 25973 3307 1 9 . 1 1 12 12 THR N N 12 120.644 120.644 120.827 -0.183 25973 3308 1 9 . 1 1 12 12 THR HA H 12 4.972 4.972 4.513 0.459 25973 3309 1 9 . 1 1 12 12 THR C C 12 171.547 171.547 174.553 -3.006 25973 3310 1 9 . 1 1 12 12 THR CA C 12 59.880 59.880 63.150 -3.270 25973 3311 1 9 . 1 1 12 12 THR CB C 12 67.386 67.386 68.819 -1.433 25973 3312 1 9 . 1 1 12 12 THR H H 12 8.659 8.659 8.229 0.430 25973 3313 1 9 . 1 1 13 13 ILE N N 13 125.497 125.497 129.073 -3.576 25973 3314 1 9 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.420 0.118 25973 3315 1 9 . 1 1 13 13 ILE C C 13 172.300 172.300 175.349 -3.049 25973 3316 1 9 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.174 -3.060 25973 3317 1 9 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.997 -1.302 25973 3318 1 9 . 1 1 13 13 ILE H H 13 9.169 9.169 9.036 0.133 25973 3319 1 9 . 1 1 14 14 THR N N 14 120.078 120.078 122.437 -2.359 25973 3320 1 9 . 1 1 14 14 THR HA H 14 4.883 4.883 4.994 -0.111 25973 3321 1 9 . 1 1 14 14 THR C C 14 170.915 170.915 173.849 -2.934 25973 3322 1 9 . 1 1 14 14 THR CA C 14 58.998 58.998 61.560 -2.562 25973 3323 1 9 . 1 1 14 14 THR CB C 14 67.221 67.221 69.284 -2.063 25973 3324 1 9 . 1 1 14 14 THR H H 14 8.596 8.596 8.451 0.145 25973 3325 1 9 . 1 1 15 15 LEU N N 15 124.381 124.381 127.643 -3.262 25973 3326 1 9 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.732 0.024 25973 3327 1 9 . 1 1 15 15 LEU C C 15 172.377 172.377 174.992 -2.615 25973 3328 1 9 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.326 -3.325 25973 3329 1 9 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.762 -1.641 25973 3330 1 9 . 1 1 15 15 LEU H H 15 8.706 8.706 8.137 0.569 25973 3331 1 9 . 1 1 16 16 GLU N N 16 122.156 122.156 122.653 -0.497 25973 3332 1 9 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.766 0.086 25973 3333 1 9 . 1 1 16 16 GLU C C 16 172.785 172.785 175.116 -2.331 25973 3334 1 9 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.230 -3.513 25973 3335 1 9 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.797 -5.565 25973 3336 1 9 . 1 1 16 16 GLU H H 16 8.259 8.259 8.433 -0.174 25973 3337 1 9 . 1 1 17 17 VAL N N 17 115.706 115.706 120.397 -4.691 25973 3338 1 9 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.411 0.222 25973 3339 1 9 . 1 1 17 17 VAL C C 17 171.495 171.495 174.247 -2.752 25973 3340 1 9 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.643 -3.976 25973 3341 1 9 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.541 -1.326 25973 3342 1 9 . 1 1 17 17 VAL H H 17 8.631 8.631 7.813 0.818 25973 3343 1 9 . 1 1 18 18 GLU N N 18 117.702 117.702 119.894 -2.192 25973 3344 1 9 . 1 1 18 18 GLU H H 18 7.705 7.705 8.532 -0.827 25973 3345 1 9 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.428 -0.391 25973 3346 1 9 . 1 1 19 19 PRO C C 19 172.411 172.411 175.982 -3.571 25973 3347 1 9 . 1 1 19 19 PRO CA C 19 62.565 62.565 63.846 -1.281 25973 3348 1 9 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.296 -2.942 25973 3349 1 9 . 1 1 20 20 SER N N 20 104.376 104.376 112.784 -8.408 25973 3350 1 9 . 1 1 20 20 SER HA H 20 4.270 4.270 4.512 -0.242 25973 3351 1 9 . 1 1 20 20 SER C C 20 172.006 172.006 173.242 -1.236 25973 3352 1 9 . 1 1 20 20 SER CA C 20 54.697 54.697 57.421 -2.724 25973 3353 1 9 . 1 1 20 20 SER CB C 20 60.491 60.491 63.515 -3.024 25973 3354 1 9 . 1 1 20 20 SER H H 20 7.127 7.127 7.604 -0.477 25973 3355 1 9 . 1 1 21 21 ASP N N 21 121.646 121.646 122.176 -0.530 25973 3356 1 9 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.911 -0.197 25973 3357 1 9 . 1 1 21 21 ASP C C 21 172.786 172.786 175.243 -2.457 25973 3358 1 9 . 1 1 21 21 ASP CA C 21 51.436 51.436 53.514 -2.078 25973 3359 1 9 . 1 1 21 21 ASP CB C 21 36.288 36.288 43.551 -7.263 25973 3360 1 9 . 1 1 21 21 ASP H H 21 7.890 7.890 7.656 0.234 25973 3361 1 9 . 1 1 22 22 THR N N 22 109.295 109.295 111.829 -2.534 25973 3362 1 9 . 1 1 22 22 THR HA H 22 4.833 4.833 4.574 0.259 25973 3363 1 9 . 1 1 22 22 THR C C 22 173.653 173.653 176.457 -2.804 25973 3364 1 9 . 1 1 22 22 THR CA C 22 57.439 57.439 60.172 -2.733 25973 3365 1 9 . 1 1 22 22 THR CB C 22 68.925 68.925 70.746 -1.821 25973 3366 1 9 . 1 1 22 22 THR H H 22 8.202 8.202 8.070 0.132 25973 3367 1 9 . 1 1 23 23 ILE N N 23 121.424 121.424 122.247 -0.823 25973 3368 1 9 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.765 -0.169 25973 3369 1 9 . 1 1 23 23 ILE C C 23 176.250 176.250 177.818 -1.568 25973 3370 1 9 . 1 1 23 23 ILE CA C 23 59.208 59.208 63.569 -4.361 25973 3371 1 9 . 1 1 23 23 ILE CB C 23 31.692 31.692 36.907 -5.215 25973 3372 1 9 . 1 1 23 23 ILE H H 23 8.450 8.450 8.709 -0.259 25973 3373 1 9 . 1 1 24 24 GLU N N 24 120.359 120.359 120.765 -0.406 25973 3374 1 9 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.955 -0.141 25973 3375 1 9 . 1 1 24 24 GLU C C 24 175.008 175.008 179.154 -4.146 25973 3376 1 9 . 1 1 24 24 GLU CA C 24 56.671 56.671 60.325 -3.654 25973 3377 1 9 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.064 -3.478 25973 3378 1 9 . 1 1 24 24 GLU H H 24 8.802 8.802 8.786 0.016 25973 3379 1 9 . 1 1 25 25 ASN N N 25 119.035 119.035 117.767 1.268 25973 3380 1 9 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.531 -0.138 25973 3381 1 9 . 1 1 25 25 ASN C C 25 175.438 175.438 177.359 -1.921 25973 3382 1 9 . 1 1 25 25 ASN CA C 25 53.655 53.655 55.861 -2.206 25973 3383 1 9 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.368 -2.099 25973 3384 1 9 . 1 1 25 25 ASN H H 25 7.928 7.928 7.783 0.145 25973 3385 1 9 . 1 1 26 26 ALA N N 26 122.272 122.272 123.255 -0.983 25973 3386 1 9 . 1 1 26 26 ALA HA H 26 3.811 3.811 4.006 -0.195 25973 3387 1 9 . 1 1 26 26 ALA C C 26 176.256 176.256 179.779 -3.523 25973 3388 1 9 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.444 -2.398 25973 3389 1 9 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.337 -5.083 25973 3390 1 9 . 1 1 26 26 ALA H H 26 7.949 7.949 7.481 0.468 25973 3391 1 9 . 1 1 27 27 LYS N N 27 117.069 117.069 118.924 -1.855 25973 3392 1 9 . 1 1 27 27 LYS H H 27 8.469 8.469 8.386 0.083 25973 3393 1 9 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.071 -0.002 25973 3394 1 9 . 1 1 28 28 ALA C C 28 177.699 177.699 179.415 -1.716 25973 3395 1 9 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.170 -2.603 25973 3396 1 9 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.333 -3.380 25973 3397 1 9 . 1 1 29 29 LYS N N 29 119.644 119.644 119.563 0.081 25973 3398 1 9 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.973 0.129 25973 3399 1 9 . 1 1 29 29 LYS C C 29 177.487 177.487 179.140 -1.653 25973 3400 1 9 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.549 -2.724 25973 3401 1 9 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.466 -2.244 25973 3402 1 9 . 1 1 29 29 LYS H H 29 7.726 7.726 8.128 -0.402 25973 3403 1 9 . 1 1 30 30 ILE N N 30 121.905 121.905 120.033 1.872 25973 3404 1 9 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.653 0.529 25973 3405 1 9 . 1 1 30 30 ILE C C 30 175.724 175.724 177.783 -2.059 25973 3406 1 9 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.140 -1.595 25973 3407 1 9 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.826 -3.621 25973 3408 1 9 . 1 1 30 30 ILE H H 30 8.206 8.206 8.373 -0.167 25973 3409 1 9 . 1 1 31 31 GLN N N 31 123.624 123.624 121.301 2.323 25973 3410 1 9 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.214 -0.478 25973 3411 1 9 . 1 1 31 31 GLN C C 31 176.118 176.118 178.539 -2.421 25973 3412 1 9 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.203 -2.105 25973 3413 1 9 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.332 -2.782 25973 3414 1 9 . 1 1 31 31 GLN H H 31 8.597 8.597 8.064 0.533 25973 3415 1 9 . 1 1 32 32 ASP N N 32 118.441 118.441 118.419 0.022 25973 3416 1 9 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.505 -0.191 25973 3417 1 9 . 1 1 32 32 ASP C C 32 173.568 173.568 177.915 -4.347 25973 3418 1 9 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.180 -2.816 25973 3419 1 9 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.872 -5.719 25973 3420 1 9 . 1 1 32 32 ASP H H 32 7.994 7.994 8.191 -0.197 25973 3421 1 9 . 1 1 33 33 LYS N N 33 115.568 115.568 118.843 -3.275 25973 3422 1 9 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.307 -0.012 25973 3423 1 9 . 1 1 33 33 LYS C C 33 174.935 174.935 178.030 -3.095 25973 3424 1 9 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.730 -2.299 25973 3425 1 9 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.633 -1.819 25973 3426 1 9 . 1 1 33 33 LYS H H 33 7.383 7.383 7.589 -0.206 25973 3427 1 9 . 1 1 34 34 GLU N N 34 113.069 113.069 116.063 -2.994 25973 3428 1 9 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.435 0.184 25973 3429 1 9 . 1 1 34 34 GLU C C 34 174.551 174.551 177.491 -2.940 25973 3430 1 9 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.105 -3.884 25973 3431 1 9 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.198 -1.285 25973 3432 1 9 . 1 1 34 34 GLU H H 34 8.697 8.697 8.429 0.268 25973 3433 1 9 . 1 1 35 35 GLY N N 35 108.734 108.734 107.876 0.858 25973 3434 1 9 . 1 1 35 35 GLY C C 35 170.888 170.888 174.527 -3.639 25973 3435 1 9 . 1 1 35 35 GLY H H 35 8.564 8.564 8.251 0.313 25973 3436 1 9 . 1 1 36 36 ILE N N 36 116.747 116.747 122.884 -6.137 25973 3437 1 9 . 1 1 36 36 ILE H H 36 6.763 6.763 7.712 -0.949 25973 3438 1 9 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.291 -0.299 25973 3439 1 9 . 1 1 38 38 PRO C C 38 175.657 175.657 177.876 -2.219 25973 3440 1 9 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.389 -1.655 25973 3441 1 9 . 1 1 38 38 PRO CB C 38 30.159 30.159 32.027 -1.868 25973 3442 1 9 . 1 1 39 39 ASP N N 39 113.150 113.150 116.508 -3.358 25973 3443 1 9 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.414 -0.009 25973 3444 1 9 . 1 1 39 39 ASP C C 39 173.637 173.637 177.086 -3.449 25973 3445 1 9 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.063 -4.100 25973 3446 1 9 . 1 1 39 39 ASP CB C 39 34.299 34.299 39.278 -4.979 25973 3447 1 9 . 1 1 39 39 ASP H H 39 8.758 8.758 8.962 -0.204 25973 3448 1 9 . 1 1 40 40 GLN N N 40 118.365 118.365 117.526 0.839 25973 3449 1 9 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.475 -0.074 25973 3450 1 9 . 1 1 40 40 GLN C C 40 172.173 172.173 174.480 -2.307 25973 3451 1 9 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.663 -2.737 25973 3452 1 9 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.634 -2.211 25973 3453 1 9 . 1 1 40 40 GLN H H 40 7.949 7.949 7.535 0.414 25973 3454 1 9 . 1 1 41 41 GLN N N 41 117.813 117.813 119.622 -1.809 25973 3455 1 9 . 1 1 41 41 GLN C C 41 172.785 172.785 174.716 -1.931 25973 3456 1 9 . 1 1 41 41 GLN H H 41 7.490 7.490 7.774 -0.284 25973 3457 1 9 . 1 1 42 42 ARG N N 42 115.761 115.761 123.703 -7.942 25973 3458 1 9 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.648 -0.221 25973 3459 1 9 . 1 1 42 42 ARG C C 42 171.412 171.412 174.171 -2.759 25973 3460 1 9 . 1 1 42 42 ARG CA C 42 52.312 52.312 54.893 -2.581 25973 3461 1 9 . 1 1 42 42 ARG CB C 42 28.635 28.635 32.760 -4.125 25973 3462 1 9 . 1 1 42 42 ARG H H 42 8.631 8.631 8.237 0.394 25973 3463 1 9 . 1 1 43 43 LEU N N 43 124.185 124.185 126.846 -2.661 25973 3464 1 9 . 1 1 43 43 LEU HA H 43 5.294 5.294 5.138 0.156 25973 3465 1 9 . 1 1 43 43 LEU C C 43 172.374 172.374 176.482 -4.108 25973 3466 1 9 . 1 1 43 43 LEU CA C 43 50.854 50.854 53.950 -3.096 25973 3467 1 9 . 1 1 43 43 LEU CB C 43 43.114 43.114 42.692 0.422 25973 3468 1 9 . 1 1 43 43 LEU H H 43 8.673 8.673 8.651 0.022 25973 3469 1 9 . 1 1 44 44 ILE N N 44 122.386 122.386 124.598 -2.212 25973 3470 1 9 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.638 0.281 25973 3471 1 9 . 1 1 44 44 ILE C C 44 173.248 173.248 174.140 -0.892 25973 3472 1 9 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.351 -3.924 25973 3473 1 9 . 1 1 44 44 ILE CB C 44 39.130 39.130 42.481 -3.351 25973 3474 1 9 . 1 1 44 44 ILE H H 44 8.970 8.970 9.033 -0.063 25973 3475 1 9 . 1 1 45 45 PHE N N 45 125.287 125.287 121.643 3.644 25973 3476 1 9 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.988 -0.033 25973 3477 1 9 . 1 1 45 45 PHE C C 45 171.645 171.645 174.518 -2.873 25973 3478 1 9 . 1 1 45 45 PHE CA C 45 54.395 54.395 56.901 -2.506 25973 3479 1 9 . 1 1 45 45 PHE CB C 45 41.282 41.282 42.029 -0.747 25973 3480 1 9 . 1 1 45 45 PHE H H 45 8.658 8.658 8.453 0.205 25973 3481 1 9 . 1 1 46 46 ALA N N 46 100.596 100.596 123.958 -23.362 25973 3482 1 9 . 1 1 46 46 ALA HA H 46 3.626 3.626 4.057 -0.431 25973 3483 1 9 . 1 1 46 46 ALA C C 46 174.527 174.527 176.569 -2.042 25973 3484 1 9 . 1 1 46 46 ALA CA C 46 49.877 49.877 51.887 -2.010 25973 3485 1 9 . 1 1 46 46 ALA CB C 46 13.867 13.867 16.365 -2.498 25973 3486 1 9 . 1 1 46 46 ALA H H 46 8.687 8.687 6.656 2.031 25973 3487 1 9 . 1 1 47 47 GLY N N 47 102.825 102.825 105.927 -3.102 25973 3488 1 9 . 1 1 47 47 GLY C C 47 171.138 171.138 175.343 -4.205 25973 3489 1 9 . 1 1 47 47 GLY CA C 47 42.658 42.658 44.940 -2.282 25973 3490 1 9 . 1 1 47 47 GLY H H 47 8.193 8.193 8.183 0.010 25973 3491 1 9 . 1 1 48 48 LYS N N 48 121.451 121.451 120.481 0.970 25973 3492 1 9 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.048 0.494 25973 3493 1 9 . 1 1 48 48 LYS C C 48 171.954 171.954 177.179 -5.225 25973 3494 1 9 . 1 1 48 48 LYS CA C 48 51.653 51.653 57.782 -6.129 25973 3495 1 9 . 1 1 48 48 LYS CB C 48 31.761 31.761 31.850 -0.089 25973 3496 1 9 . 1 1 48 48 LYS H H 48 7.888 7.888 7.583 0.305 25973 3497 1 9 . 1 1 49 49 GLN N N 49 121.884 121.884 118.222 3.662 25973 3498 1 9 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.112 0.306 25973 3499 1 9 . 1 1 49 49 GLN C C 49 173.073 173.073 175.594 -2.521 25973 3500 1 9 . 1 1 49 49 GLN CA C 49 52.999 52.999 56.547 -3.548 25973 3501 1 9 . 1 1 49 49 GLN CB C 49 26.041 26.041 28.188 -2.147 25973 3502 1 9 . 1 1 49 49 GLN H H 49 8.521 8.521 8.109 0.412 25973 3503 1 9 . 1 1 50 50 LEU N N 50 125.208 125.208 120.107 5.101 25973 3504 1 9 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.393 -0.447 25973 3505 1 9 . 1 1 50 50 LEU C C 50 173.823 173.823 176.520 -2.697 25973 3506 1 9 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.103 -2.521 25973 3507 1 9 . 1 1 50 50 LEU CB C 50 38.906 38.906 42.700 -3.794 25973 3508 1 9 . 1 1 50 50 LEU H H 50 8.427 8.427 7.135 1.292 25973 3509 1 9 . 1 1 51 51 GLU N N 51 122.400 122.400 120.530 1.870 25973 3510 1 9 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.360 0.064 25973 3511 1 9 . 1 1 51 51 GLU C C 51 173.730 173.730 177.344 -3.614 25973 3512 1 9 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.420 -2.599 25973 3513 1 9 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.786 -3.710 25973 3514 1 9 . 1 1 51 51 GLU H H 51 8.333 8.333 8.256 0.077 25973 3515 1 9 . 1 1 52 52 ASP N N 52 119.615 119.615 122.350 -2.735 25973 3516 1 9 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.372 -0.113 25973 3517 1 9 . 1 1 52 52 ASP C C 52 173.507 173.507 177.589 -4.082 25973 3518 1 9 . 1 1 52 52 ASP CA C 52 53.536 53.536 56.587 -3.051 25973 3519 1 9 . 1 1 52 52 ASP CB C 52 36.441 36.441 40.545 -4.104 25973 3520 1 9 . 1 1 52 52 ASP H H 52 8.490 8.490 8.833 -0.343 25973 3521 1 9 . 1 1 53 53 GLY N N 53 104.158 104.158 107.835 -3.677 25973 3522 1 9 . 1 1 53 53 GLY C C 53 172.296 172.296 174.864 -2.568 25973 3523 1 9 . 1 1 53 53 GLY CA C 53 42.633 42.633 45.517 -2.884 25973 3524 1 9 . 1 1 53 53 GLY H H 53 8.622 8.622 8.092 0.530 25973 3525 1 9 . 1 1 54 54 ARG N N 54 119.010 119.010 120.625 -1.615 25973 3526 1 9 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.583 -0.115 25973 3527 1 9 . 1 1 54 54 ARG C C 54 172.237 172.237 175.183 -2.946 25973 3528 1 9 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.269 -3.522 25973 3529 1 9 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.823 -2.251 25973 3530 1 9 . 1 1 54 54 ARG H H 54 7.397 7.397 7.850 -0.453 25973 3531 1 9 . 1 1 55 55 THR N N 55 106.762 106.762 111.427 -4.665 25973 3532 1 9 . 1 1 55 55 THR HA H 55 4.545 4.545 4.624 -0.079 25973 3533 1 9 . 1 1 55 55 THR C C 55 173.492 173.492 175.514 -2.022 25973 3534 1 9 . 1 1 55 55 THR CA C 55 57.122 57.122 60.229 -3.107 25973 3535 1 9 . 1 1 55 55 THR CB C 55 69.087 69.087 70.793 -1.706 25973 3536 1 9 . 1 1 55 55 THR H H 55 7.536 7.536 8.111 -0.575 25973 3537 1 9 . 1 1 56 56 LEU N N 56 119.096 119.096 120.348 -1.252 25973 3538 1 9 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.190 -0.228 25973 3539 1 9 . 1 1 56 56 LEU C C 56 178.169 178.169 179.228 -1.059 25973 3540 1 9 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.186 -0.910 25973 3541 1 9 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.593 -4.348 25973 3542 1 9 . 1 1 56 56 LEU H H 56 8.258 8.258 8.329 -0.071 25973 3543 1 9 . 1 1 57 57 SER N N 57 113.389 113.389 115.604 -2.215 25973 3544 1 9 . 1 1 57 57 SER HA H 57 4.180 4.180 4.219 -0.039 25973 3545 1 9 . 1 1 57 57 SER C C 57 175.491 175.491 176.541 -1.050 25973 3546 1 9 . 1 1 57 57 SER CA C 57 57.967 57.967 61.505 -3.538 25973 3547 1 9 . 1 1 57 57 SER CB C 57 59.730 59.730 62.274 -2.544 25973 3548 1 9 . 1 1 57 57 SER H H 57 8.484 8.484 8.350 0.134 25973 3549 1 9 . 1 1 58 58 ASP N N 58 122.795 122.795 121.664 1.131 25973 3550 1 9 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.501 -0.227 25973 3551 1 9 . 1 1 58 58 ASP C C 58 173.529 173.529 177.265 -3.736 25973 3552 1 9 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.429 -3.610 25973 3553 1 9 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.609 -5.949 25973 3554 1 9 . 1 1 58 58 ASP H H 58 7.893 7.893 7.830 0.063 25973 3555 1 9 . 1 1 59 59 TYR N N 59 116.135 116.135 117.831 -1.696 25973 3556 1 9 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.521 0.102 25973 3557 1 9 . 1 1 59 59 TYR C C 59 171.756 171.756 174.878 -3.122 25973 3558 1 9 . 1 1 59 59 TYR CA C 59 55.546 55.546 59.139 -3.593 25973 3559 1 9 . 1 1 59 59 TYR CB C 59 37.146 37.146 38.967 -1.821 25973 3560 1 9 . 1 1 59 59 TYR H H 59 7.243 7.243 7.573 -0.330 25973 3561 1 9 . 1 1 60 60 ASN N N 60 115.660 115.660 116.505 -0.845 25973 3562 1 9 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.363 -0.082 25973 3563 1 9 . 1 1 60 60 ASN C C 60 171.419 171.419 174.842 -3.423 25973 3564 1 9 . 1 1 60 60 ASN CA C 60 51.470 51.470 54.167 -2.697 25973 3565 1 9 . 1 1 60 60 ASN CB C 60 34.647 34.647 36.062 -1.415 25973 3566 1 9 . 1 1 60 60 ASN H H 60 8.108 8.108 8.272 -0.164 25973 3567 1 9 . 1 1 61 61 ILE N N 61 118.591 118.591 119.977 -1.386 25973 3568 1 9 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.694 -0.435 25973 3569 1 9 . 1 1 61 61 ILE C C 61 171.673 171.673 175.148 -3.475 25973 3570 1 9 . 1 1 61 61 ILE CA C 61 59.737 59.737 63.061 -3.324 25973 3571 1 9 . 1 1 61 61 ILE CB C 61 34.117 34.117 37.199 -3.082 25973 3572 1 9 . 1 1 61 61 ILE H H 61 7.031 7.031 8.115 -1.084 25973 3573 1 9 . 1 1 62 62 GLN N N 62 125.176 125.176 126.970 -1.794 25973 3574 1 9 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.473 -0.005 25973 3575 1 9 . 1 1 62 62 GLN C C 62 172.907 172.907 174.809 -1.902 25973 3576 1 9 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.519 -3.572 25973 3577 1 9 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.524 -1.224 25973 3578 1 9 . 1 1 62 62 GLN H H 62 7.645 7.645 8.347 -0.702 25973 3579 1 9 . 1 1 63 63 LYS N N 63 120.040 120.040 118.584 1.456 25973 3580 1 9 . 1 1 63 63 LYS HA H 63 3.910 3.910 3.971 -0.061 25973 3581 1 9 . 1 1 63 63 LYS C C 63 173.589 173.589 176.819 -3.230 25973 3582 1 9 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.837 -1.545 25973 3583 1 9 . 1 1 63 63 LYS CB C 63 29.920 29.920 32.589 -2.669 25973 3584 1 9 . 1 1 63 63 LYS H H 63 8.416 8.416 8.196 0.220 25973 3585 1 9 . 1 1 64 64 GLU N N 64 113.699 113.699 115.264 -1.565 25973 3586 1 9 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.222 -0.706 25973 3587 1 9 . 1 1 64 64 GLU C C 64 172.267 172.267 175.550 -3.283 25973 3588 1 9 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.699 -2.984 25973 3589 1 9 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.396 -5.595 25973 3590 1 9 . 1 1 64 64 GLU H H 64 9.180 9.180 8.657 0.523 25973 3591 1 9 . 1 1 65 65 SER N N 65 115.564 115.564 113.970 1.594 25973 3592 1 9 . 1 1 65 65 SER HA H 65 4.531 4.531 4.737 -0.206 25973 3593 1 9 . 1 1 65 65 SER C C 65 169.375 169.375 174.443 -5.068 25973 3594 1 9 . 1 1 65 65 SER CA C 65 58.422 58.422 58.213 0.209 25973 3595 1 9 . 1 1 65 65 SER CB C 65 62.153 62.153 64.666 -2.513 25973 3596 1 9 . 1 1 65 65 SER H H 65 7.818 7.818 7.753 0.065 25973 3597 1 9 . 1 1 66 66 THR N N 66 117.311 117.311 123.393 -6.082 25973 3598 1 9 . 1 1 66 66 THR HA H 66 5.106 5.106 4.761 0.345 25973 3599 1 9 . 1 1 66 66 THR C C 66 171.057 171.057 174.180 -3.123 25973 3600 1 9 . 1 1 66 66 THR CA C 66 59.814 59.814 63.260 -3.446 25973 3601 1 9 . 1 1 66 66 THR CB C 66 67.491 67.491 69.048 -1.557 25973 3602 1 9 . 1 1 66 66 THR H H 66 8.704 8.704 8.902 -0.198 25973 3603 1 9 . 1 1 67 67 LEU N N 67 127.157 127.157 129.471 -2.314 25973 3604 1 9 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.714 0.237 25973 3605 1 9 . 1 1 67 67 LEU C C 67 173.090 173.090 175.738 -2.648 25973 3606 1 9 . 1 1 67 67 LEU CA C 67 51.708 51.708 54.191 -2.483 25973 3607 1 9 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.478 -3.087 25973 3608 1 9 . 1 1 67 67 LEU H H 67 9.318 9.318 9.121 0.197 25973 3609 1 9 . 1 1 68 68 HIS N N 68 118.227 118.227 120.350 -2.123 25973 3610 1 9 . 1 1 68 68 HIS HA H 68 5.170 5.170 5.227 -0.057 25973 3611 1 9 . 1 1 68 68 HIS C C 68 170.031 170.031 174.264 -4.233 25973 3612 1 9 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.771 -3.707 25973 3613 1 9 . 1 1 68 68 HIS CB C 68 27.536 27.536 31.270 -3.734 25973 3614 1 9 . 1 1 68 68 HIS H H 68 9.141 9.141 8.953 0.188 25973 3615 1 9 . 1 1 69 69 LEU N N 69 124.847 124.847 126.337 -1.490 25973 3616 1 9 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.438 -0.330 25973 3617 1 9 . 1 1 69 69 LEU C C 69 172.304 172.304 174.253 -1.949 25973 3618 1 9 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.379 -1.733 25973 3619 1 9 . 1 1 69 69 LEU CB C 69 41.603 41.603 44.833 -3.230 25973 3620 1 9 . 1 1 69 69 LEU H H 69 8.332 8.332 9.217 -0.885 25973 3621 1 9 . 1 1 70 70 VAL N N 70 128.173 128.173 125.966 2.207 25973 3622 1 9 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.500 -0.050 25973 3623 1 9 . 1 1 70 70 VAL C C 70 177.746 177.746 174.564 3.182 25973 3624 1 9 . 1 1 70 70 VAL CA C 70 58.395 58.395 59.363 -0.968 25973 3625 1 9 . 1 1 70 70 VAL CB C 70 31.198 31.198 34.687 -3.489 25973 3626 1 9 . 1 1 70 70 VAL H H 70 9.159 9.159 8.767 0.392 25973 3627 1 9 . 1 1 71 71 LEU N N 71 124.557 124.557 123.598 0.959 25973 3628 1 9 . 1 1 71 71 LEU HA H 71 4.922 4.922 5.081 -0.159 25973 3629 1 9 . 1 1 71 71 LEU C C 71 174.917 174.917 177.152 -2.235 25973 3630 1 9 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.375 -1.545 25973 3631 1 9 . 1 1 71 71 LEU CB C 71 39.997 39.997 43.403 -3.406 25973 3632 1 9 . 1 1 71 71 LEU H H 71 8.273 8.273 8.345 -0.072 25973 3633 1 9 . 1 1 72 72 ARG N N 72 123.440 123.440 123.255 0.185 25973 3634 1 9 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.567 -0.318 25973 3635 1 9 . 1 1 72 72 ARG C C 72 172.657 172.657 175.035 -2.378 25973 3636 1 9 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.260 -2.514 25973 3637 1 9 . 1 1 72 72 ARG CB C 72 28.058 28.058 29.864 -1.806 25973 3638 1 9 . 1 1 72 72 ARG H H 72 8.532 8.532 8.337 0.195 25973 3639 1 9 . 1 1 73 73 LEU N N 73 124.189 124.189 125.927 -1.738 25973 3640 1 9 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.534 -0.263 25973 3641 1 9 . 1 1 73 73 LEU C C 73 174.691 174.691 175.754 -1.063 25973 3642 1 9 . 1 1 73 73 LEU CA C 73 52.361 52.361 55.164 -2.804 25973 3643 1 9 . 1 1 73 73 LEU CB C 73 39.708 39.708 44.613 -4.905 25973 3644 1 9 . 1 1 73 73 LEU H H 73 8.289 8.289 8.466 -0.177 25973 3645 1 9 . 1 1 74 74 ARG N N 74 121.162 121.162 123.862 -2.700 25973 3646 1 9 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.731 -0.484 25973 3647 1 9 . 1 1 74 74 ARG C C 74 173.901 173.901 176.430 -2.529 25973 3648 1 9 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.727 -2.102 25973 3649 1 9 . 1 1 74 74 ARG CB C 74 28.134 28.134 30.988 -2.854 25973 3650 1 9 . 1 1 74 74 ARG H H 74 8.268 8.268 8.640 -0.372 25973 3651 1 9 . 1 1 75 75 GLY N N 75 110.230 110.230 112.131 -1.901 25973 3652 1 9 . 1 1 75 75 GLY C C 75 171.504 171.504 173.865 -2.361 25973 3653 1 9 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.724 -2.320 25973 3654 1 9 . 1 1 75 75 GLY H H 75 8.367 8.367 8.705 -0.338 25973 3655 1 10 . 1 1 2 2 GLN N N 2 124.960 124.960 121.897 3.063 25973 3656 1 10 . 1 1 2 2 GLN HA H 2 5.089 5.089 5.184 -0.095 25973 3657 1 10 . 1 1 2 2 GLN C C 2 172.479 172.479 174.465 -1.986 25973 3658 1 10 . 1 1 2 2 GLN CA C 2 52.320 52.320 53.861 -1.541 25973 3659 1 10 . 1 1 2 2 GLN CB C 2 28.181 28.181 31.806 -3.625 25973 3660 1 10 . 1 1 2 2 GLN H H 2 8.807 8.807 8.252 0.555 25973 3661 1 10 . 1 1 3 3 ILE N N 3 116.556 116.556 114.176 2.380 25973 3662 1 10 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.359 -0.181 25973 3663 1 10 . 1 1 3 3 ILE C C 3 169.813 169.813 173.624 -3.811 25973 3664 1 10 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.927 -3.306 25973 3665 1 10 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.949 -2.844 25973 3666 1 10 . 1 1 3 3 ILE H H 3 8.237 8.237 8.802 -0.565 25973 3667 1 10 . 1 1 4 4 PHE N N 4 118.417 118.417 121.189 -2.772 25973 3668 1 10 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.488 0.011 25973 3669 1 10 . 1 1 4 4 PHE C C 4 172.505 172.505 175.253 -2.748 25973 3670 1 10 . 1 1 4 4 PHE CA C 4 52.824 52.824 55.971 -3.147 25973 3671 1 10 . 1 1 4 4 PHE CB C 4 38.890 38.890 42.116 -3.226 25973 3672 1 10 . 1 1 4 4 PHE H H 4 8.675 8.675 8.691 -0.016 25973 3673 1 10 . 1 1 5 5 VAL N N 5 120.755 120.755 123.198 -2.443 25973 3674 1 10 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.696 -0.109 25973 3675 1 10 . 1 1 5 5 VAL C C 5 172.070 172.070 174.613 -2.543 25973 3676 1 10 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.451 -3.331 25973 3677 1 10 . 1 1 5 5 VAL CB C 5 32.048 32.048 33.450 -1.402 25973 3678 1 10 . 1 1 5 5 VAL H H 5 9.190 9.190 9.374 -0.184 25973 3679 1 10 . 1 1 6 6 LYS N N 6 127.964 127.964 129.831 -1.867 25973 3680 1 10 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.643 0.595 25973 3681 1 10 . 1 1 6 6 LYS C C 6 174.119 174.119 175.537 -1.418 25973 3682 1 10 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.909 -3.038 25973 3683 1 10 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.978 -2.310 25973 3684 1 10 . 1 1 6 6 LYS H H 6 8.758 8.758 9.020 -0.262 25973 3685 1 10 . 1 1 7 7 THR N N 7 115.618 115.618 117.274 -1.656 25973 3686 1 10 . 1 1 7 7 THR HA H 7 4.912 4.912 5.026 -0.114 25973 3687 1 10 . 1 1 7 7 THR C C 7 173.994 173.994 176.367 -2.373 25973 3688 1 10 . 1 1 7 7 THR CA C 7 57.844 57.844 59.375 -1.531 25973 3689 1 10 . 1 1 7 7 THR CB C 7 68.137 68.137 71.652 -3.515 25973 3690 1 10 . 1 1 7 7 THR H H 7 8.573 8.573 8.075 0.498 25973 3691 1 10 . 1 1 8 8 LEU N N 8 122.083 122.083 120.792 1.291 25973 3692 1 10 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.272 -0.063 25973 3693 1 10 . 1 1 8 8 LEU C C 8 176.005 176.005 178.118 -2.113 25973 3694 1 10 . 1 1 8 8 LEU CA C 8 55.656 55.656 57.315 -1.659 25973 3695 1 10 . 1 1 8 8 LEU CB C 8 39.247 39.247 40.895 -1.648 25973 3696 1 10 . 1 1 8 8 LEU H H 8 9.034 9.034 8.912 0.122 25973 3697 1 10 . 1 1 9 9 THR N N 9 105.803 105.803 108.017 -2.214 25973 3698 1 10 . 1 1 9 9 THR HA H 9 4.503 4.503 4.380 0.123 25973 3699 1 10 . 1 1 9 9 THR C C 9 172.624 172.624 176.008 -3.384 25973 3700 1 10 . 1 1 9 9 THR CA C 9 58.961 58.961 61.724 -2.763 25973 3701 1 10 . 1 1 9 9 THR CB C 9 66.541 66.541 70.020 -3.479 25973 3702 1 10 . 1 1 9 9 THR H H 9 7.582 7.582 7.626 -0.044 25973 3703 1 10 . 1 1 10 10 GLY N N 10 109.254 109.254 111.558 -2.304 25973 3704 1 10 . 1 1 10 10 GLY C C 10 171.405 171.405 174.807 -3.402 25973 3705 1 10 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.238 -2.585 25973 3706 1 10 . 1 1 10 10 GLY H H 10 7.770 7.770 8.110 -0.340 25973 3707 1 10 . 1 1 11 11 LYS N N 11 121.278 121.278 123.869 -2.591 25973 3708 1 10 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.091 0.217 25973 3709 1 10 . 1 1 11 11 LYS C C 11 173.489 173.489 175.633 -2.144 25973 3710 1 10 . 1 1 11 11 LYS CA C 11 53.385 53.385 56.634 -3.249 25973 3711 1 10 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.646 -2.474 25973 3712 1 10 . 1 1 11 11 LYS H H 11 7.313 7.313 7.371 -0.058 25973 3713 1 10 . 1 1 12 12 THR N N 12 120.644 120.644 120.405 0.239 25973 3714 1 10 . 1 1 12 12 THR HA H 12 4.972 4.972 4.731 0.241 25973 3715 1 10 . 1 1 12 12 THR C C 12 171.547 171.547 174.741 -3.194 25973 3716 1 10 . 1 1 12 12 THR CA C 12 59.880 59.880 61.869 -1.989 25973 3717 1 10 . 1 1 12 12 THR CB C 12 67.386 67.386 68.812 -1.426 25973 3718 1 10 . 1 1 12 12 THR H H 12 8.659 8.659 8.135 0.524 25973 3719 1 10 . 1 1 13 13 ILE N N 13 125.497 125.497 126.626 -1.129 25973 3720 1 10 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.554 -0.016 25973 3721 1 10 . 1 1 13 13 ILE C C 13 172.300 172.300 175.570 -3.270 25973 3722 1 10 . 1 1 13 13 ILE CA C 13 57.114 57.114 59.915 -2.801 25973 3723 1 10 . 1 1 13 13 ILE CB C 13 38.695 38.695 40.190 -1.495 25973 3724 1 10 . 1 1 13 13 ILE H H 13 9.169 9.169 9.062 0.107 25973 3725 1 10 . 1 1 14 14 THR N N 14 120.078 120.078 122.139 -2.061 25973 3726 1 10 . 1 1 14 14 THR HA H 14 4.883 4.883 5.028 -0.145 25973 3727 1 10 . 1 1 14 14 THR C C 14 170.915 170.915 173.437 -2.522 25973 3728 1 10 . 1 1 14 14 THR CA C 14 58.998 58.998 61.460 -2.462 25973 3729 1 10 . 1 1 14 14 THR CB C 14 67.221 67.221 69.566 -2.345 25973 3730 1 10 . 1 1 14 14 THR H H 14 8.596 8.596 8.499 0.097 25973 3731 1 10 . 1 1 15 15 LEU N N 15 124.381 124.381 127.103 -2.722 25973 3732 1 10 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.746 0.010 25973 3733 1 10 . 1 1 15 15 LEU C C 15 172.377 172.377 175.052 -2.675 25973 3734 1 10 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.173 -3.172 25973 3735 1 10 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.787 -1.666 25973 3736 1 10 . 1 1 15 15 LEU H H 15 8.706 8.706 8.843 -0.137 25973 3737 1 10 . 1 1 16 16 GLU N N 16 122.156 122.156 122.846 -0.690 25973 3738 1 10 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.857 -0.005 25973 3739 1 10 . 1 1 16 16 GLU C C 16 172.785 172.785 175.099 -2.314 25973 3740 1 10 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.660 -3.943 25973 3741 1 10 . 1 1 16 16 GLU CB C 16 25.232 25.232 31.412 -6.180 25973 3742 1 10 . 1 1 16 16 GLU H H 16 8.259 8.259 8.595 -0.336 25973 3743 1 10 . 1 1 17 17 VAL N N 17 115.706 115.706 118.207 -2.501 25973 3744 1 10 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.697 -0.064 25973 3745 1 10 . 1 1 17 17 VAL C C 17 171.495 171.495 174.369 -2.874 25973 3746 1 10 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.198 -3.531 25973 3747 1 10 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.824 -1.609 25973 3748 1 10 . 1 1 17 17 VAL H H 17 8.631 8.631 7.865 0.766 25973 3749 1 10 . 1 1 18 18 GLU N N 18 117.702 117.702 121.237 -3.535 25973 3750 1 10 . 1 1 18 18 GLU H H 18 7.705 7.705 8.174 -0.469 25973 3751 1 10 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.165 -0.128 25973 3752 1 10 . 1 1 19 19 PRO C C 19 172.411 172.411 177.303 -4.892 25973 3753 1 10 . 1 1 19 19 PRO CA C 19 62.565 62.565 65.479 -2.914 25973 3754 1 10 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.121 -2.767 25973 3755 1 10 . 1 1 20 20 SER N N 20 104.376 104.376 110.577 -6.201 25973 3756 1 10 . 1 1 20 20 SER HA H 20 4.270 4.270 4.213 0.057 25973 3757 1 10 . 1 1 20 20 SER C C 20 172.006 172.006 174.779 -2.773 25973 3758 1 10 . 1 1 20 20 SER CA C 20 54.697 54.697 59.647 -4.950 25973 3759 1 10 . 1 1 20 20 SER CB C 20 60.491 60.491 62.929 -2.438 25973 3760 1 10 . 1 1 20 20 SER H H 20 7.127 7.127 8.001 -0.874 25973 3761 1 10 . 1 1 21 21 ASP N N 21 121.646 121.646 123.940 -2.294 25973 3762 1 10 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.719 -0.005 25973 3763 1 10 . 1 1 21 21 ASP C C 21 172.786 172.786 175.477 -2.691 25973 3764 1 10 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.582 -3.146 25973 3765 1 10 . 1 1 21 21 ASP CB C 21 36.288 36.288 41.436 -5.148 25973 3766 1 10 . 1 1 21 21 ASP H H 21 7.890 7.890 7.954 -0.064 25973 3767 1 10 . 1 1 22 22 THR N N 22 109.295 109.295 109.543 -0.248 25973 3768 1 10 . 1 1 22 22 THR HA H 22 4.833 4.833 4.608 0.225 25973 3769 1 10 . 1 1 22 22 THR C C 22 173.653 173.653 176.500 -2.847 25973 3770 1 10 . 1 1 22 22 THR CA C 22 57.439 57.439 59.339 -1.900 25973 3771 1 10 . 1 1 22 22 THR CB C 22 68.925 68.925 71.542 -2.617 25973 3772 1 10 . 1 1 22 22 THR H H 22 8.202 8.202 7.762 0.440 25973 3773 1 10 . 1 1 23 23 ILE N N 23 121.424 121.424 120.829 0.595 25973 3774 1 10 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.764 -0.168 25973 3775 1 10 . 1 1 23 23 ILE C C 23 176.250 176.250 177.872 -1.622 25973 3776 1 10 . 1 1 23 23 ILE CA C 23 59.208 59.208 62.524 -3.316 25973 3777 1 10 . 1 1 23 23 ILE CB C 23 31.692 31.692 35.983 -4.291 25973 3778 1 10 . 1 1 23 23 ILE H H 23 8.450 8.450 8.645 -0.195 25973 3779 1 10 . 1 1 24 24 GLU N N 24 120.359 120.359 120.707 -0.348 25973 3780 1 10 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.968 -0.154 25973 3781 1 10 . 1 1 24 24 GLU C C 24 175.008 175.008 178.914 -3.906 25973 3782 1 10 . 1 1 24 24 GLU CA C 24 56.671 56.671 60.087 -3.416 25973 3783 1 10 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.331 -3.745 25973 3784 1 10 . 1 1 24 24 GLU H H 24 8.802 8.802 8.038 0.764 25973 3785 1 10 . 1 1 25 25 ASN N N 25 119.035 119.035 117.656 1.379 25973 3786 1 10 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.496 -0.103 25973 3787 1 10 . 1 1 25 25 ASN C C 25 175.438 175.438 177.498 -2.060 25973 3788 1 10 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.117 -2.462 25973 3789 1 10 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.603 -2.334 25973 3790 1 10 . 1 1 25 25 ASN H H 25 7.928 7.928 8.177 -0.249 25973 3791 1 10 . 1 1 26 26 ALA N N 26 122.272 122.272 123.943 -1.671 25973 3792 1 10 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.937 -0.126 25973 3793 1 10 . 1 1 26 26 ALA C C 26 176.256 176.256 179.369 -3.113 25973 3794 1 10 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.273 -2.227 25973 3795 1 10 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.354 -5.100 25973 3796 1 10 . 1 1 26 26 ALA H H 26 7.949 7.949 7.527 0.422 25973 3797 1 10 . 1 1 27 27 LYS N N 27 117.069 117.069 119.071 -2.002 25973 3798 1 10 . 1 1 27 27 LYS H H 27 8.469 8.469 8.382 0.087 25973 3799 1 10 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.060 0.009 25973 3800 1 10 . 1 1 28 28 ALA C C 28 177.699 177.699 179.337 -1.638 25973 3801 1 10 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.115 -2.548 25973 3802 1 10 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.485 -3.532 25973 3803 1 10 . 1 1 29 29 LYS N N 29 119.644 119.644 119.195 0.449 25973 3804 1 10 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.991 0.110 25973 3805 1 10 . 1 1 29 29 LYS C C 29 177.487 177.487 179.124 -1.637 25973 3806 1 10 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.604 -2.779 25973 3807 1 10 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.502 -2.280 25973 3808 1 10 . 1 1 29 29 LYS H H 29 7.726 7.726 7.978 -0.252 25973 3809 1 10 . 1 1 30 30 ILE N N 30 121.905 121.905 120.166 1.739 25973 3810 1 10 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.647 0.535 25973 3811 1 10 . 1 1 30 30 ILE C C 30 175.724 175.724 177.498 -1.774 25973 3812 1 10 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.069 -1.524 25973 3813 1 10 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.831 -3.626 25973 3814 1 10 . 1 1 30 30 ILE H H 30 8.206 8.206 8.454 -0.248 25973 3815 1 10 . 1 1 31 31 GLN N N 31 123.624 123.624 121.118 2.506 25973 3816 1 10 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.120 -0.384 25973 3817 1 10 . 1 1 31 31 GLN C C 31 176.118 176.118 178.341 -2.223 25973 3818 1 10 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.233 -2.135 25973 3819 1 10 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.187 -2.637 25973 3820 1 10 . 1 1 31 31 GLN H H 31 8.597 8.597 7.702 0.895 25973 3821 1 10 . 1 1 32 32 ASP N N 32 118.441 118.441 118.528 -0.087 25973 3822 1 10 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.486 -0.172 25973 3823 1 10 . 1 1 32 32 ASP C C 32 173.568 173.568 177.525 -3.957 25973 3824 1 10 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.305 -2.941 25973 3825 1 10 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.757 -5.604 25973 3826 1 10 . 1 1 32 32 ASP H H 32 7.994 7.994 7.704 0.290 25973 3827 1 10 . 1 1 33 33 LYS N N 33 115.568 115.568 118.433 -2.865 25973 3828 1 10 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.279 0.016 25973 3829 1 10 . 1 1 33 33 LYS C C 33 174.935 174.935 177.488 -2.553 25973 3830 1 10 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.925 -2.494 25973 3831 1 10 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.213 -1.400 25973 3832 1 10 . 1 1 33 33 LYS H H 33 7.383 7.383 7.294 0.089 25973 3833 1 10 . 1 1 34 34 GLU N N 34 113.069 113.069 116.389 -3.320 25973 3834 1 10 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.439 0.180 25973 3835 1 10 . 1 1 34 34 GLU C C 34 174.551 174.551 177.172 -2.621 25973 3836 1 10 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.236 -4.014 25973 3837 1 10 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.586 -1.673 25973 3838 1 10 . 1 1 34 34 GLU H H 34 8.697 8.697 8.464 0.233 25973 3839 1 10 . 1 1 35 35 GLY N N 35 108.734 108.734 108.709 0.025 25973 3840 1 10 . 1 1 35 35 GLY C C 35 170.888 170.888 174.450 -3.562 25973 3841 1 10 . 1 1 35 35 GLY H H 35 8.564 8.564 8.113 0.451 25973 3842 1 10 . 1 1 36 36 ILE N N 36 116.747 116.747 121.489 -4.742 25973 3843 1 10 . 1 1 36 36 ILE H H 36 6.763 6.763 7.454 -0.691 25973 3844 1 10 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.277 -0.285 25973 3845 1 10 . 1 1 38 38 PRO C C 38 175.657 175.657 178.080 -2.423 25973 3846 1 10 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.065 -1.331 25973 3847 1 10 . 1 1 38 38 PRO CB C 38 30.159 30.159 32.162 -2.003 25973 3848 1 10 . 1 1 39 39 ASP N N 39 113.150 113.150 117.961 -4.811 25973 3849 1 10 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.435 -0.030 25973 3850 1 10 . 1 1 39 39 ASP C C 39 173.637 173.637 176.467 -2.830 25973 3851 1 10 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.228 -4.265 25973 3852 1 10 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.729 -6.430 25973 3853 1 10 . 1 1 39 39 ASP H H 39 8.758 8.758 8.548 0.210 25973 3854 1 10 . 1 1 40 40 GLN N N 40 118.365 118.365 115.770 2.595 25973 3855 1 10 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.643 -0.242 25973 3856 1 10 . 1 1 40 40 GLN C C 40 172.173 172.173 175.185 -3.012 25973 3857 1 10 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.456 -2.530 25973 3858 1 10 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.644 -2.221 25973 3859 1 10 . 1 1 40 40 GLN H H 40 7.949 7.949 7.423 0.526 25973 3860 1 10 . 1 1 41 41 GLN N N 41 117.813 117.813 119.988 -2.175 25973 3861 1 10 . 1 1 41 41 GLN C C 41 172.785 172.785 174.634 -1.849 25973 3862 1 10 . 1 1 41 41 GLN H H 41 7.490 7.490 7.382 0.108 25973 3863 1 10 . 1 1 42 42 ARG N N 42 115.761 115.761 126.539 -10.778 25973 3864 1 10 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.714 -0.287 25973 3865 1 10 . 1 1 42 42 ARG C C 42 171.412 171.412 173.721 -2.309 25973 3866 1 10 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.121 -2.809 25973 3867 1 10 . 1 1 42 42 ARG CB C 42 28.635 28.635 33.828 -5.193 25973 3868 1 10 . 1 1 42 42 ARG H H 42 8.631 8.631 8.968 -0.337 25973 3869 1 10 . 1 1 43 43 LEU N N 43 124.185 124.185 126.764 -2.579 25973 3870 1 10 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.832 0.462 25973 3871 1 10 . 1 1 43 43 LEU C C 43 172.374 172.374 176.242 -3.868 25973 3872 1 10 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.597 -3.743 25973 3873 1 10 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.471 -0.357 25973 3874 1 10 . 1 1 43 43 LEU H H 43 8.673 8.673 8.655 0.018 25973 3875 1 10 . 1 1 44 44 ILE N N 44 122.386 122.386 127.517 -5.131 25973 3876 1 10 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.367 0.552 25973 3877 1 10 . 1 1 44 44 ILE C C 44 173.248 173.248 173.902 -0.654 25973 3878 1 10 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.461 -4.034 25973 3879 1 10 . 1 1 44 44 ILE CB C 44 39.130 39.130 40.331 -1.201 25973 3880 1 10 . 1 1 44 44 ILE H H 44 8.970 8.970 9.192 -0.222 25973 3881 1 10 . 1 1 45 45 PHE N N 45 125.287 125.287 129.203 -3.916 25973 3882 1 10 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.820 0.135 25973 3883 1 10 . 1 1 45 45 PHE C C 45 171.645 171.645 174.914 -3.269 25973 3884 1 10 . 1 1 45 45 PHE CA C 45 54.395 54.395 57.115 -2.720 25973 3885 1 10 . 1 1 45 45 PHE CB C 45 41.282 41.282 41.272 0.010 25973 3886 1 10 . 1 1 45 45 PHE H H 45 8.658 8.658 8.644 0.014 25973 3887 1 10 . 1 1 46 46 ALA N N 46 100.596 100.596 128.951 -28.355 25973 3888 1 10 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.575 0.051 25973 3889 1 10 . 1 1 46 46 ALA C C 46 174.527 174.527 177.543 -3.016 25973 3890 1 10 . 1 1 46 46 ALA CA C 46 49.877 49.877 52.774 -2.897 25973 3891 1 10 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.434 -3.567 25973 3892 1 10 . 1 1 46 46 ALA H H 46 8.687 8.687 8.494 0.193 25973 3893 1 10 . 1 1 47 47 GLY N N 47 102.825 102.825 106.434 -3.609 25973 3894 1 10 . 1 1 47 47 GLY C C 47 171.138 171.138 174.534 -3.396 25973 3895 1 10 . 1 1 47 47 GLY CA C 47 42.658 42.658 45.651 -2.993 25973 3896 1 10 . 1 1 47 47 GLY H H 47 8.193 8.193 8.017 0.176 25973 3897 1 10 . 1 1 48 48 LYS N N 48 121.451 121.451 120.430 1.021 25973 3898 1 10 . 1 1 48 48 LYS HA H 48 4.542 4.542 3.930 0.612 25973 3899 1 10 . 1 1 48 48 LYS C C 48 171.954 171.954 176.203 -4.249 25973 3900 1 10 . 1 1 48 48 LYS CA C 48 51.653 51.653 56.652 -4.999 25973 3901 1 10 . 1 1 48 48 LYS CB C 48 31.761 31.761 30.695 1.066 25973 3902 1 10 . 1 1 48 48 LYS H H 48 7.888 7.888 8.125 -0.237 25973 3903 1 10 . 1 1 49 49 GLN N N 49 121.884 121.884 120.332 1.552 25973 3904 1 10 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.231 0.187 25973 3905 1 10 . 1 1 49 49 GLN C C 49 173.073 173.073 177.030 -3.957 25973 3906 1 10 . 1 1 49 49 GLN CA C 49 52.999 52.999 57.513 -4.514 25973 3907 1 10 . 1 1 49 49 GLN CB C 49 26.041 26.041 29.755 -3.714 25973 3908 1 10 . 1 1 49 49 GLN H H 49 8.521 8.521 8.382 0.139 25973 3909 1 10 . 1 1 50 50 LEU N N 50 125.208 125.208 122.697 2.511 25973 3910 1 10 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.434 -0.488 25973 3911 1 10 . 1 1 50 50 LEU C C 50 173.823 173.823 175.985 -2.162 25973 3912 1 10 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.258 -2.676 25973 3913 1 10 . 1 1 50 50 LEU CB C 50 38.906 38.906 40.682 -1.776 25973 3914 1 10 . 1 1 50 50 LEU H H 50 8.427 8.427 7.937 0.490 25973 3915 1 10 . 1 1 51 51 GLU N N 51 122.400 122.400 122.196 0.204 25973 3916 1 10 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.473 -0.049 25973 3917 1 10 . 1 1 51 51 GLU C C 51 173.730 173.730 176.667 -2.937 25973 3918 1 10 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.814 -2.993 25973 3919 1 10 . 1 1 51 51 GLU CB C 51 27.076 27.076 31.048 -3.972 25973 3920 1 10 . 1 1 51 51 GLU H H 51 8.333 8.333 7.804 0.529 25973 3921 1 10 . 1 1 52 52 ASP N N 52 119.615 119.615 121.705 -2.090 25973 3922 1 10 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.412 -0.153 25973 3923 1 10 . 1 1 52 52 ASP C C 52 173.507 173.507 176.571 -3.064 25973 3924 1 10 . 1 1 52 52 ASP CA C 52 53.536 53.536 55.384 -1.848 25973 3925 1 10 . 1 1 52 52 ASP CB C 52 36.441 36.441 41.110 -4.669 25973 3926 1 10 . 1 1 52 52 ASP H H 52 8.490 8.490 8.796 -0.306 25973 3927 1 10 . 1 1 53 53 GLY N N 53 104.158 104.158 106.771 -2.613 25973 3928 1 10 . 1 1 53 53 GLY C C 53 172.296 172.296 173.680 -1.384 25973 3929 1 10 . 1 1 53 53 GLY CA C 53 42.633 42.633 44.666 -2.033 25973 3930 1 10 . 1 1 53 53 GLY H H 53 8.622 8.622 7.808 0.814 25973 3931 1 10 . 1 1 54 54 ARG N N 54 119.010 119.010 120.394 -1.384 25973 3932 1 10 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.603 -0.135 25973 3933 1 10 . 1 1 54 54 ARG C C 54 172.237 172.237 175.424 -3.187 25973 3934 1 10 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.203 -3.456 25973 3935 1 10 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.276 -1.704 25973 3936 1 10 . 1 1 54 54 ARG H H 54 7.397 7.397 7.998 -0.601 25973 3937 1 10 . 1 1 55 55 THR N N 55 106.762 106.762 113.373 -6.611 25973 3938 1 10 . 1 1 55 55 THR HA H 55 4.545 4.545 4.542 0.003 25973 3939 1 10 . 1 1 55 55 THR C C 55 173.492 173.492 175.778 -2.286 25973 3940 1 10 . 1 1 55 55 THR CA C 55 57.122 57.122 60.439 -3.317 25973 3941 1 10 . 1 1 55 55 THR CB C 55 69.087 69.087 69.856 -0.769 25973 3942 1 10 . 1 1 55 55 THR H H 55 7.536 7.536 8.119 -0.583 25973 3943 1 10 . 1 1 56 56 LEU N N 56 119.096 119.096 120.894 -1.798 25973 3944 1 10 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.171 -0.209 25973 3945 1 10 . 1 1 56 56 LEU C C 56 178.169 178.169 178.501 -0.332 25973 3946 1 10 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.850 -1.574 25973 3947 1 10 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.425 -4.180 25973 3948 1 10 . 1 1 56 56 LEU H H 56 8.258 8.258 8.436 -0.178 25973 3949 1 10 . 1 1 57 57 SER N N 57 113.389 113.389 114.490 -1.101 25973 3950 1 10 . 1 1 57 57 SER HA H 57 4.180 4.180 4.205 -0.025 25973 3951 1 10 . 1 1 57 57 SER C C 57 175.491 175.491 176.255 -0.764 25973 3952 1 10 . 1 1 57 57 SER CA C 57 57.967 57.967 61.042 -3.075 25973 3953 1 10 . 1 1 57 57 SER CB C 57 59.730 59.730 61.854 -2.124 25973 3954 1 10 . 1 1 57 57 SER H H 57 8.484 8.484 8.431 0.053 25973 3955 1 10 . 1 1 58 58 ASP N N 58 122.795 122.795 121.962 0.833 25973 3956 1 10 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.469 -0.195 25973 3957 1 10 . 1 1 58 58 ASP C C 58 173.529 173.529 177.256 -3.727 25973 3958 1 10 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.096 -3.277 25973 3959 1 10 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.850 -6.190 25973 3960 1 10 . 1 1 58 58 ASP H H 58 7.893 7.893 7.808 0.085 25973 3961 1 10 . 1 1 59 59 TYR N N 59 116.135 116.135 117.722 -1.587 25973 3962 1 10 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.508 0.115 25973 3963 1 10 . 1 1 59 59 TYR C C 59 171.756 171.756 174.688 -2.932 25973 3964 1 10 . 1 1 59 59 TYR CA C 59 55.546 55.546 59.259 -3.713 25973 3965 1 10 . 1 1 59 59 TYR CB C 59 37.146 37.146 38.947 -1.801 25973 3966 1 10 . 1 1 59 59 TYR H H 59 7.243 7.243 7.576 -0.333 25973 3967 1 10 . 1 1 60 60 ASN N N 60 115.660 115.660 115.757 -0.097 25973 3968 1 10 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.365 -0.084 25973 3969 1 10 . 1 1 60 60 ASN C C 60 171.419 171.419 174.609 -3.190 25973 3970 1 10 . 1 1 60 60 ASN CA C 60 51.470 51.470 53.952 -2.482 25973 3971 1 10 . 1 1 60 60 ASN CB C 60 34.647 34.647 36.261 -1.613 25973 3972 1 10 . 1 1 60 60 ASN H H 60 8.108 8.108 8.167 -0.059 25973 3973 1 10 . 1 1 61 61 ILE N N 61 118.591 118.591 118.253 0.338 25973 3974 1 10 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.745 -0.486 25973 3975 1 10 . 1 1 61 61 ILE C C 61 171.673 171.673 176.556 -4.883 25973 3976 1 10 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.193 -2.456 25973 3977 1 10 . 1 1 61 61 ILE CB C 61 34.117 34.117 36.577 -2.460 25973 3978 1 10 . 1 1 61 61 ILE H H 61 7.031 7.031 8.244 -1.213 25973 3979 1 10 . 1 1 62 62 GLN N N 62 125.176 125.176 126.116 -0.940 25973 3980 1 10 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.524 -0.056 25973 3981 1 10 . 1 1 62 62 GLN C C 62 172.907 172.907 175.388 -2.481 25973 3982 1 10 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.807 -3.861 25973 3983 1 10 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.458 -1.158 25973 3984 1 10 . 1 1 62 62 GLN H H 62 7.645 7.645 8.467 -0.822 25973 3985 1 10 . 1 1 63 63 LYS N N 63 120.040 120.040 117.851 2.189 25973 3986 1 10 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.352 -0.442 25973 3987 1 10 . 1 1 63 63 LYS C C 63 173.589 173.589 176.614 -3.025 25973 3988 1 10 . 1 1 63 63 LYS CA C 63 55.292 55.292 55.788 -0.496 25973 3989 1 10 . 1 1 63 63 LYS CB C 63 29.920 29.920 33.355 -3.435 25973 3990 1 10 . 1 1 63 63 LYS H H 63 8.416 8.416 8.198 0.218 25973 3991 1 10 . 1 1 64 64 GLU N N 64 113.699 113.699 114.961 -1.262 25973 3992 1 10 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.058 -0.542 25973 3993 1 10 . 1 1 64 64 GLU C C 64 172.267 172.267 176.285 -4.018 25973 3994 1 10 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.958 -3.243 25973 3995 1 10 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.569 -5.768 25973 3996 1 10 . 1 1 64 64 GLU H H 64 9.180 9.180 8.738 0.442 25973 3997 1 10 . 1 1 65 65 SER N N 65 115.564 115.564 114.287 1.277 25973 3998 1 10 . 1 1 65 65 SER HA H 65 4.531 4.531 4.611 -0.080 25973 3999 1 10 . 1 1 65 65 SER C C 65 169.375 169.375 174.366 -4.991 25973 4000 1 10 . 1 1 65 65 SER CA C 65 58.422 58.422 59.125 -0.703 25973 4001 1 10 . 1 1 65 65 SER CB C 65 62.153 62.153 64.342 -2.189 25973 4002 1 10 . 1 1 65 65 SER H H 65 7.818 7.818 7.639 0.179 25973 4003 1 10 . 1 1 66 66 THR N N 66 117.311 117.311 123.078 -5.767 25973 4004 1 10 . 1 1 66 66 THR HA H 66 5.106 5.106 4.850 0.256 25973 4005 1 10 . 1 1 66 66 THR C C 66 171.057 171.057 173.939 -2.882 25973 4006 1 10 . 1 1 66 66 THR CA C 66 59.814 59.814 62.376 -2.562 25973 4007 1 10 . 1 1 66 66 THR CB C 66 67.491 67.491 69.249 -1.758 25973 4008 1 10 . 1 1 66 66 THR H H 66 8.704 8.704 8.651 0.053 25973 4009 1 10 . 1 1 67 67 LEU N N 67 127.157 127.157 127.923 -0.766 25973 4010 1 10 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.778 0.173 25973 4011 1 10 . 1 1 67 67 LEU C C 67 173.090 173.090 175.951 -2.861 25973 4012 1 10 . 1 1 67 67 LEU CA C 67 51.708 51.708 53.081 -1.373 25973 4013 1 10 . 1 1 67 67 LEU CB C 67 41.391 41.391 43.337 -1.946 25973 4014 1 10 . 1 1 67 67 LEU H H 67 9.318 9.318 9.117 0.201 25973 4015 1 10 . 1 1 68 68 HIS N N 68 118.227 118.227 119.945 -1.718 25973 4016 1 10 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.981 0.189 25973 4017 1 10 . 1 1 68 68 HIS C C 68 170.031 170.031 174.344 -4.313 25973 4018 1 10 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.564 -3.500 25973 4019 1 10 . 1 1 68 68 HIS CB C 68 27.536 27.536 30.433 -2.897 25973 4020 1 10 . 1 1 68 68 HIS H H 68 9.141 9.141 8.677 0.464 25973 4021 1 10 . 1 1 69 69 LEU N N 69 124.847 124.847 127.272 -2.425 25973 4022 1 10 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.027 0.081 25973 4023 1 10 . 1 1 69 69 LEU C C 69 172.304 172.304 174.879 -2.575 25973 4024 1 10 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.772 -2.126 25973 4025 1 10 . 1 1 69 69 LEU CB C 69 41.603 41.603 43.157 -1.554 25973 4026 1 10 . 1 1 69 69 LEU H H 69 8.332 8.332 8.693 -0.361 25973 4027 1 10 . 1 1 70 70 VAL N N 70 128.173 128.173 128.587 -0.414 25973 4028 1 10 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.418 0.031 25973 4029 1 10 . 1 1 70 70 VAL C C 70 177.746 177.746 174.625 3.121 25973 4030 1 10 . 1 1 70 70 VAL CA C 70 58.395 58.395 61.064 -2.669 25973 4031 1 10 . 1 1 70 70 VAL CB C 70 31.198 31.198 34.493 -3.295 25973 4032 1 10 . 1 1 70 70 VAL H H 70 9.159 9.159 9.318 -0.159 25973 4033 1 10 . 1 1 71 71 LEU N N 71 124.557 124.557 125.136 -0.579 25973 4034 1 10 . 1 1 71 71 LEU HA H 71 4.922 4.922 4.853 0.069 25973 4035 1 10 . 1 1 71 71 LEU C C 71 174.917 174.917 176.497 -1.580 25973 4036 1 10 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.701 -1.871 25973 4037 1 10 . 1 1 71 71 LEU CB C 71 39.997 39.997 42.605 -2.608 25973 4038 1 10 . 1 1 71 71 LEU H H 71 8.273 8.273 8.371 -0.098 25973 4039 1 10 . 1 1 72 72 ARG N N 72 123.440 123.440 124.185 -0.745 25973 4040 1 10 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.412 -0.163 25973 4041 1 10 . 1 1 72 72 ARG C C 72 172.657 172.657 175.820 -3.163 25973 4042 1 10 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.202 -2.456 25973 4043 1 10 . 1 1 72 72 ARG CB C 72 28.058 28.058 31.633 -3.575 25973 4044 1 10 . 1 1 72 72 ARG H H 72 8.532 8.532 8.444 0.088 25973 4045 1 10 . 1 1 73 73 LEU N N 73 124.189 124.189 121.414 2.775 25973 4046 1 10 . 1 1 73 73 LEU HA H 73 4.271 4.271 3.996 0.275 25973 4047 1 10 . 1 1 73 73 LEU C C 73 174.691 174.691 176.057 -1.366 25973 4048 1 10 . 1 1 73 73 LEU CA C 73 52.361 52.361 55.028 -2.667 25973 4049 1 10 . 1 1 73 73 LEU CB C 73 39.708 39.708 40.768 -1.060 25973 4050 1 10 . 1 1 73 73 LEU H H 73 8.289 8.289 8.603 -0.314 25973 4051 1 10 . 1 1 74 74 ARG N N 74 121.162 121.162 122.743 -1.581 25973 4052 1 10 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.216 0.031 25973 4053 1 10 . 1 1 74 74 ARG C C 74 173.901 173.901 177.168 -3.267 25973 4054 1 10 . 1 1 74 74 ARG CA C 74 53.625 53.625 56.738 -3.113 25973 4055 1 10 . 1 1 74 74 ARG CB C 74 28.134 28.134 30.895 -2.761 25973 4056 1 10 . 1 1 74 74 ARG H H 74 8.268 8.268 7.945 0.323 25973 4057 1 10 . 1 1 75 75 GLY N N 75 110.230 110.230 111.854 -1.624 25973 4058 1 10 . 1 1 75 75 GLY C C 75 171.504 171.504 174.679 -3.175 25973 4059 1 10 . 1 1 75 75 GLY CA C 75 42.404 42.404 46.226 -3.822 25973 4060 1 10 . 1 1 75 75 GLY H H 75 8.367 8.367 8.831 -0.464 25973 4061 1 11 . 1 1 2 2 GLN N N 2 124.960 124.960 117.321 7.639 25973 4062 1 11 . 1 1 2 2 GLN HA H 2 5.089 5.089 3.984 1.105 25973 4063 1 11 . 1 1 2 2 GLN C C 2 172.479 172.479 174.433 -1.954 25973 4064 1 11 . 1 1 2 2 GLN CA C 2 52.320 52.320 56.772 -4.452 25973 4065 1 11 . 1 1 2 2 GLN CB C 2 28.181 28.181 27.047 1.135 25973 4066 1 11 . 1 1 2 2 GLN H H 2 8.807 8.807 8.501 0.306 25973 4067 1 11 . 1 1 3 3 ILE N N 3 116.556 116.556 114.780 1.776 25973 4068 1 11 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.521 -0.343 25973 4069 1 11 . 1 1 3 3 ILE C C 3 169.813 169.813 173.870 -4.057 25973 4070 1 11 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.128 -2.507 25973 4071 1 11 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.560 -2.455 25973 4072 1 11 . 1 1 3 3 ILE H H 3 8.237 8.237 8.558 -0.321 25973 4073 1 11 . 1 1 4 4 PHE N N 4 118.417 118.417 121.141 -2.724 25973 4074 1 11 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.576 -0.077 25973 4075 1 11 . 1 1 4 4 PHE C C 4 172.505 172.505 175.331 -2.826 25973 4076 1 11 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.278 -3.454 25973 4077 1 11 . 1 1 4 4 PHE CB C 4 38.890 38.890 42.108 -3.218 25973 4078 1 11 . 1 1 4 4 PHE H H 4 8.675 8.675 8.744 -0.069 25973 4079 1 11 . 1 1 5 5 VAL N N 5 120.755 120.755 122.546 -1.791 25973 4080 1 11 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.700 -0.113 25973 4081 1 11 . 1 1 5 5 VAL C C 5 172.070 172.070 174.506 -2.436 25973 4082 1 11 . 1 1 5 5 VAL CA C 5 58.120 58.120 60.458 -2.338 25973 4083 1 11 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.087 -2.039 25973 4084 1 11 . 1 1 5 5 VAL H H 5 9.190 9.190 9.197 -0.007 25973 4085 1 11 . 1 1 6 6 LYS N N 6 127.964 127.964 128.763 -0.799 25973 4086 1 11 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.716 0.522 25973 4087 1 11 . 1 1 6 6 LYS C C 6 174.119 174.119 175.719 -1.600 25973 4088 1 11 . 1 1 6 6 LYS CA C 6 51.871 51.871 55.041 -3.170 25973 4089 1 11 . 1 1 6 6 LYS CB C 6 32.668 32.668 35.143 -2.475 25973 4090 1 11 . 1 1 6 6 LYS H H 6 8.758 8.758 9.148 -0.390 25973 4091 1 11 . 1 1 7 7 THR N N 7 115.618 115.618 117.624 -2.006 25973 4092 1 11 . 1 1 7 7 THR HA H 7 4.912 4.912 4.744 0.168 25973 4093 1 11 . 1 1 7 7 THR C C 7 173.994 173.994 176.152 -2.158 25973 4094 1 11 . 1 1 7 7 THR CA C 7 57.844 57.844 59.567 -1.723 25973 4095 1 11 . 1 1 7 7 THR CB C 7 68.137 68.137 71.136 -2.999 25973 4096 1 11 . 1 1 7 7 THR H H 7 8.573 8.573 7.926 0.647 25973 4097 1 11 . 1 1 8 8 LEU N N 8 122.083 122.083 119.675 2.408 25973 4098 1 11 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.530 -0.321 25973 4099 1 11 . 1 1 8 8 LEU C C 8 176.005 176.005 177.970 -1.965 25973 4100 1 11 . 1 1 8 8 LEU CA C 8 55.656 55.656 56.159 -0.503 25973 4101 1 11 . 1 1 8 8 LEU CB C 8 39.247 39.247 41.839 -2.592 25973 4102 1 11 . 1 1 8 8 LEU H H 8 9.034 9.034 8.610 0.424 25973 4103 1 11 . 1 1 9 9 THR N N 9 105.803 105.803 109.572 -3.769 25973 4104 1 11 . 1 1 9 9 THR HA H 9 4.503 4.503 4.381 0.122 25973 4105 1 11 . 1 1 9 9 THR C C 9 172.624 172.624 175.583 -2.959 25973 4106 1 11 . 1 1 9 9 THR CA C 9 58.961 58.961 62.080 -3.119 25973 4107 1 11 . 1 1 9 9 THR CB C 9 66.541 66.541 69.877 -3.336 25973 4108 1 11 . 1 1 9 9 THR H H 9 7.582 7.582 7.687 -0.105 25973 4109 1 11 . 1 1 10 10 GLY N N 10 109.254 109.254 110.225 -0.971 25973 4110 1 11 . 1 1 10 10 GLY C C 10 171.405 171.405 173.683 -2.278 25973 4111 1 11 . 1 1 10 10 GLY CA C 10 42.653 42.653 44.970 -2.317 25973 4112 1 11 . 1 1 10 10 GLY H H 10 7.770 7.770 7.496 0.274 25973 4113 1 11 . 1 1 11 11 LYS N N 11 121.278 121.278 123.622 -2.344 25973 4114 1 11 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.225 0.083 25973 4115 1 11 . 1 1 11 11 LYS C C 11 173.489 173.489 175.595 -2.106 25973 4116 1 11 . 1 1 11 11 LYS CA C 11 53.385 53.385 56.791 -3.406 25973 4117 1 11 . 1 1 11 11 LYS CB C 11 30.172 30.172 33.116 -2.944 25973 4118 1 11 . 1 1 11 11 LYS H H 11 7.313 7.313 7.563 -0.250 25973 4119 1 11 . 1 1 12 12 THR N N 12 120.644 120.644 121.769 -1.125 25973 4120 1 11 . 1 1 12 12 THR HA H 12 4.972 4.972 5.108 -0.136 25973 4121 1 11 . 1 1 12 12 THR C C 12 171.547 171.547 174.913 -3.366 25973 4122 1 11 . 1 1 12 12 THR CA C 12 59.880 59.880 62.221 -2.341 25973 4123 1 11 . 1 1 12 12 THR CB C 12 67.386 67.386 69.622 -2.236 25973 4124 1 11 . 1 1 12 12 THR H H 12 8.659 8.659 8.343 0.316 25973 4125 1 11 . 1 1 13 13 ILE N N 13 125.497 125.497 126.376 -0.879 25973 4126 1 11 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.599 -0.061 25973 4127 1 11 . 1 1 13 13 ILE C C 13 172.300 172.300 175.625 -3.325 25973 4128 1 11 . 1 1 13 13 ILE CA C 13 57.114 57.114 59.647 -2.533 25973 4129 1 11 . 1 1 13 13 ILE CB C 13 38.695 38.695 40.292 -1.597 25973 4130 1 11 . 1 1 13 13 ILE H H 13 9.169 9.169 8.886 0.283 25973 4131 1 11 . 1 1 14 14 THR N N 14 120.078 120.078 121.286 -1.208 25973 4132 1 11 . 1 1 14 14 THR HA H 14 4.883 4.883 4.910 -0.027 25973 4133 1 11 . 1 1 14 14 THR C C 14 170.915 170.915 173.688 -2.773 25973 4134 1 11 . 1 1 14 14 THR CA C 14 58.998 58.998 61.718 -2.720 25973 4135 1 11 . 1 1 14 14 THR CB C 14 67.221 67.221 69.792 -2.571 25973 4136 1 11 . 1 1 14 14 THR H H 14 8.596 8.596 8.394 0.202 25973 4137 1 11 . 1 1 15 15 LEU N N 15 124.381 124.381 129.705 -5.324 25973 4138 1 11 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.661 0.095 25973 4139 1 11 . 1 1 15 15 LEU C C 15 172.377 172.377 174.990 -2.613 25973 4140 1 11 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.742 -3.741 25973 4141 1 11 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.715 -1.594 25973 4142 1 11 . 1 1 15 15 LEU H H 15 8.706 8.706 9.049 -0.343 25973 4143 1 11 . 1 1 16 16 GLU N N 16 122.156 122.156 123.959 -1.803 25973 4144 1 11 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.754 0.098 25973 4145 1 11 . 1 1 16 16 GLU C C 16 172.785 172.785 175.307 -2.522 25973 4146 1 11 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.737 -4.020 25973 4147 1 11 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.725 -5.493 25973 4148 1 11 . 1 1 16 16 GLU H H 16 8.259 8.259 8.658 -0.399 25973 4149 1 11 . 1 1 17 17 VAL N N 17 115.706 115.706 118.699 -2.993 25973 4150 1 11 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.448 0.185 25973 4151 1 11 . 1 1 17 17 VAL C C 17 171.495 171.495 173.611 -2.116 25973 4152 1 11 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.973 -4.306 25973 4153 1 11 . 1 1 17 17 VAL CB C 17 33.215 33.215 35.792 -2.577 25973 4154 1 11 . 1 1 17 17 VAL H H 17 8.631 8.631 8.185 0.446 25973 4155 1 11 . 1 1 18 18 GLU N N 18 117.702 117.702 118.884 -1.182 25973 4156 1 11 . 1 1 18 18 GLU H H 18 7.705 7.705 8.160 -0.455 25973 4157 1 11 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.148 -0.111 25973 4158 1 11 . 1 1 19 19 PRO C C 19 172.411 172.411 177.229 -4.818 25973 4159 1 11 . 1 1 19 19 PRO CA C 19 62.565 62.565 65.507 -2.942 25973 4160 1 11 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.038 -2.683 25973 4161 1 11 . 1 1 20 20 SER N N 20 104.376 104.376 109.128 -4.752 25973 4162 1 11 . 1 1 20 20 SER HA H 20 4.270 4.270 4.268 0.002 25973 4163 1 11 . 1 1 20 20 SER C C 20 172.006 172.006 174.688 -2.682 25973 4164 1 11 . 1 1 20 20 SER CA C 20 54.697 54.697 58.651 -3.954 25973 4165 1 11 . 1 1 20 20 SER CB C 20 60.491 60.491 63.465 -2.974 25973 4166 1 11 . 1 1 20 20 SER H H 20 7.127 7.127 7.768 -0.641 25973 4167 1 11 . 1 1 21 21 ASP N N 21 121.646 121.646 123.238 -1.592 25973 4168 1 11 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.594 0.120 25973 4169 1 11 . 1 1 21 21 ASP C C 21 172.786 172.786 175.652 -2.866 25973 4170 1 11 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.795 -3.359 25973 4171 1 11 . 1 1 21 21 ASP CB C 21 36.288 36.288 42.241 -5.953 25973 4172 1 11 . 1 1 21 21 ASP H H 21 7.890 7.890 8.054 -0.164 25973 4173 1 11 . 1 1 22 22 THR N N 22 109.295 109.295 113.800 -4.505 25973 4174 1 11 . 1 1 22 22 THR HA H 22 4.833 4.833 4.583 0.250 25973 4175 1 11 . 1 1 22 22 THR C C 22 173.653 173.653 176.503 -2.850 25973 4176 1 11 . 1 1 22 22 THR CA C 22 57.439 57.439 59.175 -1.736 25973 4177 1 11 . 1 1 22 22 THR CB C 22 68.925 68.925 71.812 -2.887 25973 4178 1 11 . 1 1 22 22 THR H H 22 8.202 8.202 7.916 0.286 25973 4179 1 11 . 1 1 23 23 ILE N N 23 121.424 121.424 120.153 1.271 25973 4180 1 11 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.775 -0.179 25973 4181 1 11 . 1 1 23 23 ILE C C 23 176.250 176.250 177.630 -1.380 25973 4182 1 11 . 1 1 23 23 ILE CA C 23 59.208 59.208 63.566 -4.359 25973 4183 1 11 . 1 1 23 23 ILE CB C 23 31.692 31.692 36.874 -5.182 25973 4184 1 11 . 1 1 23 23 ILE H H 23 8.450 8.450 8.757 -0.307 25973 4185 1 11 . 1 1 24 24 GLU N N 24 120.359 120.359 120.715 -0.356 25973 4186 1 11 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.913 -0.099 25973 4187 1 11 . 1 1 24 24 GLU C C 24 175.008 175.008 178.886 -3.878 25973 4188 1 11 . 1 1 24 24 GLU CA C 24 56.671 56.671 59.959 -3.288 25973 4189 1 11 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.267 -3.680 25973 4190 1 11 . 1 1 24 24 GLU H H 24 8.802 8.802 7.892 0.910 25973 4191 1 11 . 1 1 25 25 ASN N N 25 119.035 119.035 117.819 1.216 25973 4192 1 11 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.498 -0.105 25973 4193 1 11 . 1 1 25 25 ASN C C 25 175.438 175.438 177.464 -2.026 25973 4194 1 11 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.038 -2.384 25973 4195 1 11 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.461 -2.192 25973 4196 1 11 . 1 1 25 25 ASN H H 25 7.928 7.928 7.920 0.008 25973 4197 1 11 . 1 1 26 26 ALA N N 26 122.272 122.272 123.305 -1.033 25973 4198 1 11 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.919 -0.108 25973 4199 1 11 . 1 1 26 26 ALA C C 26 176.256 176.256 179.471 -3.215 25973 4200 1 11 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.341 -2.295 25973 4201 1 11 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.413 -5.159 25973 4202 1 11 . 1 1 26 26 ALA H H 26 7.949 7.949 7.486 0.463 25973 4203 1 11 . 1 1 27 27 LYS N N 27 117.069 117.069 119.159 -2.090 25973 4204 1 11 . 1 1 27 27 LYS H H 27 8.469 8.469 8.155 0.314 25973 4205 1 11 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.167 -0.098 25973 4206 1 11 . 1 1 28 28 ALA C C 28 177.699 177.699 179.380 -1.681 25973 4207 1 11 . 1 1 28 28 ALA CA C 28 52.567 52.567 54.722 -2.155 25973 4208 1 11 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.462 -3.509 25973 4209 1 11 . 1 1 29 29 LYS N N 29 119.644 119.644 119.405 0.239 25973 4210 1 11 . 1 1 29 29 LYS HA H 29 4.101 4.101 4.027 0.074 25973 4211 1 11 . 1 1 29 29 LYS C C 29 177.487 177.487 179.131 -1.644 25973 4212 1 11 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.577 -2.752 25973 4213 1 11 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.545 -2.323 25973 4214 1 11 . 1 1 29 29 LYS H H 29 7.726 7.726 7.891 -0.165 25973 4215 1 11 . 1 1 30 30 ILE N N 30 121.905 121.905 119.692 2.213 25973 4216 1 11 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.642 0.540 25973 4217 1 11 . 1 1 30 30 ILE C C 30 175.724 175.724 177.207 -1.483 25973 4218 1 11 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.549 -2.004 25973 4219 1 11 . 1 1 30 30 ILE CB C 30 34.205 34.205 38.021 -3.816 25973 4220 1 11 . 1 1 30 30 ILE H H 30 8.206 8.206 8.055 0.151 25973 4221 1 11 . 1 1 31 31 GLN N N 31 123.624 123.624 120.716 2.908 25973 4222 1 11 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.079 -0.343 25973 4223 1 11 . 1 1 31 31 GLN C C 31 176.118 176.118 177.943 -1.825 25973 4224 1 11 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.379 -2.281 25973 4225 1 11 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.408 -2.858 25973 4226 1 11 . 1 1 31 31 GLN H H 31 8.597 8.597 7.894 0.703 25973 4227 1 11 . 1 1 32 32 ASP N N 32 118.441 118.441 117.437 1.004 25973 4228 1 11 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.478 -0.164 25973 4229 1 11 . 1 1 32 32 ASP C C 32 173.568 173.568 177.310 -3.742 25973 4230 1 11 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.126 -2.762 25973 4231 1 11 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.502 -5.349 25973 4232 1 11 . 1 1 32 32 ASP H H 32 7.994 7.994 7.999 -0.005 25973 4233 1 11 . 1 1 33 33 LYS N N 33 115.568 115.568 118.748 -3.180 25973 4234 1 11 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.292 0.003 25973 4235 1 11 . 1 1 33 33 LYS C C 33 174.935 174.935 177.916 -2.981 25973 4236 1 11 . 1 1 33 33 LYS CA C 33 55.431 55.431 58.061 -2.630 25973 4237 1 11 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.528 -1.715 25973 4238 1 11 . 1 1 33 33 LYS H H 33 7.383 7.383 7.281 0.102 25973 4239 1 11 . 1 1 34 34 GLU N N 34 113.069 113.069 116.422 -3.353 25973 4240 1 11 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.430 0.189 25973 4241 1 11 . 1 1 34 34 GLU C C 34 174.551 174.551 177.101 -2.550 25973 4242 1 11 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.319 -4.096 25973 4243 1 11 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.688 -1.775 25973 4244 1 11 . 1 1 34 34 GLU H H 34 8.697 8.697 8.539 0.158 25973 4245 1 11 . 1 1 35 35 GLY N N 35 108.734 108.734 108.786 -0.052 25973 4246 1 11 . 1 1 35 35 GLY C C 35 170.888 170.888 174.249 -3.361 25973 4247 1 11 . 1 1 35 35 GLY H H 35 8.564 8.564 8.218 0.346 25973 4248 1 11 . 1 1 36 36 ILE N N 36 116.747 116.747 120.703 -3.956 25973 4249 1 11 . 1 1 36 36 ILE H H 36 6.763 6.763 7.288 -0.525 25973 4250 1 11 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.317 -0.325 25973 4251 1 11 . 1 1 38 38 PRO C C 38 175.657 175.657 177.157 -1.500 25973 4252 1 11 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.000 -1.266 25973 4253 1 11 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.793 -1.634 25973 4254 1 11 . 1 1 39 39 ASP N N 39 113.150 113.150 115.653 -2.503 25973 4255 1 11 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.410 -0.005 25973 4256 1 11 . 1 1 39 39 ASP C C 39 173.637 173.637 176.946 -3.309 25973 4257 1 11 . 1 1 39 39 ASP CA C 39 51.963 51.963 55.788 -3.825 25973 4258 1 11 . 1 1 39 39 ASP CB C 39 34.299 34.299 39.249 -4.950 25973 4259 1 11 . 1 1 39 39 ASP H H 39 8.758 8.758 8.418 0.340 25973 4260 1 11 . 1 1 40 40 GLN N N 40 118.365 118.365 117.181 1.184 25973 4261 1 11 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.459 -0.058 25973 4262 1 11 . 1 1 40 40 GLN C C 40 172.173 172.173 175.587 -3.414 25973 4263 1 11 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.768 -2.842 25973 4264 1 11 . 1 1 40 40 GLN CB C 40 27.423 27.423 30.518 -3.095 25973 4265 1 11 . 1 1 40 40 GLN H H 40 7.949 7.949 7.519 0.430 25973 4266 1 11 . 1 1 41 41 GLN N N 41 117.813 117.813 119.708 -1.895 25973 4267 1 11 . 1 1 41 41 GLN C C 41 172.785 172.785 175.643 -2.858 25973 4268 1 11 . 1 1 41 41 GLN H H 41 7.490 7.490 7.349 0.141 25973 4269 1 11 . 1 1 42 42 ARG N N 42 115.761 115.761 125.114 -9.353 25973 4270 1 11 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.643 -0.216 25973 4271 1 11 . 1 1 42 42 ARG C C 42 171.412 171.412 174.122 -2.710 25973 4272 1 11 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.047 -2.735 25973 4273 1 11 . 1 1 42 42 ARG CB C 42 28.635 28.635 33.137 -4.502 25973 4274 1 11 . 1 1 42 42 ARG H H 42 8.631 8.631 8.924 -0.293 25973 4275 1 11 . 1 1 43 43 LEU N N 43 124.185 124.185 127.170 -2.985 25973 4276 1 11 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.776 0.518 25973 4277 1 11 . 1 1 43 43 LEU C C 43 172.374 172.374 175.568 -3.194 25973 4278 1 11 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.431 -3.577 25973 4279 1 11 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.565 -0.451 25973 4280 1 11 . 1 1 43 43 LEU H H 43 8.673 8.673 8.710 -0.037 25973 4281 1 11 . 1 1 44 44 ILE N N 44 122.386 122.386 123.426 -1.040 25973 4282 1 11 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.619 0.300 25973 4283 1 11 . 1 1 44 44 ILE C C 44 173.248 173.248 174.131 -0.883 25973 4284 1 11 . 1 1 44 44 ILE CA C 44 56.427 56.427 59.734 -3.307 25973 4285 1 11 . 1 1 44 44 ILE CB C 44 39.130 39.130 42.557 -3.427 25973 4286 1 11 . 1 1 44 44 ILE H H 44 8.970 8.970 8.806 0.164 25973 4287 1 11 . 1 1 45 45 PHE N N 45 125.287 125.287 121.707 3.580 25973 4288 1 11 . 1 1 45 45 PHE HA H 45 4.955 4.955 5.168 -0.213 25973 4289 1 11 . 1 1 45 45 PHE C C 45 171.645 171.645 175.310 -3.665 25973 4290 1 11 . 1 1 45 45 PHE CA C 45 54.395 54.395 55.480 -1.085 25973 4291 1 11 . 1 1 45 45 PHE CB C 45 41.282 41.282 43.047 -1.765 25973 4292 1 11 . 1 1 45 45 PHE H H 45 8.658 8.658 8.330 0.328 25973 4293 1 11 . 1 1 46 46 ALA N N 46 100.596 100.596 122.860 -22.264 25973 4294 1 11 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.834 -0.208 25973 4295 1 11 . 1 1 46 46 ALA C C 46 174.527 174.527 177.951 -3.424 25973 4296 1 11 . 1 1 46 46 ALA CA C 46 49.877 49.877 53.036 -3.159 25973 4297 1 11 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.998 -4.131 25973 4298 1 11 . 1 1 46 46 ALA H H 46 8.687 8.687 6.668 2.019 25973 4299 1 11 . 1 1 47 47 GLY N N 47 102.825 102.825 105.236 -2.411 25973 4300 1 11 . 1 1 47 47 GLY C C 47 171.138 171.138 174.263 -3.125 25973 4301 1 11 . 1 1 47 47 GLY CA C 47 42.658 42.658 44.262 -1.604 25973 4302 1 11 . 1 1 47 47 GLY H H 47 8.193 8.193 8.118 0.075 25973 4303 1 11 . 1 1 48 48 LYS N N 48 121.451 121.451 117.336 4.115 25973 4304 1 11 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.313 0.229 25973 4305 1 11 . 1 1 48 48 LYS C C 48 171.954 171.954 177.214 -5.260 25973 4306 1 11 . 1 1 48 48 LYS CA C 48 51.653 51.653 55.776 -4.123 25973 4307 1 11 . 1 1 48 48 LYS CB C 48 31.761 31.761 32.934 -1.173 25973 4308 1 11 . 1 1 48 48 LYS H H 48 7.888 7.888 7.417 0.471 25973 4309 1 11 . 1 1 49 49 GLN N N 49 121.884 121.884 120.804 1.080 25973 4310 1 11 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.152 0.266 25973 4311 1 11 . 1 1 49 49 GLN C C 49 173.073 173.073 175.569 -2.496 25973 4312 1 11 . 1 1 49 49 GLN CA C 49 52.999 52.999 56.266 -3.267 25973 4313 1 11 . 1 1 49 49 GLN CB C 49 26.041 26.041 27.428 -1.387 25973 4314 1 11 . 1 1 49 49 GLN H H 49 8.521 8.521 7.694 0.827 25973 4315 1 11 . 1 1 50 50 LEU N N 50 125.208 125.208 123.093 2.115 25973 4316 1 11 . 1 1 50 50 LEU HA H 50 3.946 3.946 3.971 -0.025 25973 4317 1 11 . 1 1 50 50 LEU C C 50 173.823 173.823 175.994 -2.171 25973 4318 1 11 . 1 1 50 50 LEU CA C 50 51.582 51.582 55.465 -3.883 25973 4319 1 11 . 1 1 50 50 LEU CB C 50 38.906 38.906 39.801 -0.895 25973 4320 1 11 . 1 1 50 50 LEU H H 50 8.427 8.427 8.398 0.029 25973 4321 1 11 . 1 1 51 51 GLU N N 51 122.400 122.400 121.847 0.553 25973 4322 1 11 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.583 -0.159 25973 4323 1 11 . 1 1 51 51 GLU C C 51 173.730 173.730 176.707 -2.977 25973 4324 1 11 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.438 -2.617 25973 4325 1 11 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.582 -3.506 25973 4326 1 11 . 1 1 51 51 GLU H H 51 8.333 8.333 8.199 0.134 25973 4327 1 11 . 1 1 52 52 ASP N N 52 119.615 119.615 121.731 -2.116 25973 4328 1 11 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.645 -0.386 25973 4329 1 11 . 1 1 52 52 ASP C C 52 173.507 173.507 176.527 -3.020 25973 4330 1 11 . 1 1 52 52 ASP CA C 52 53.536 53.536 53.954 -0.418 25973 4331 1 11 . 1 1 52 52 ASP CB C 52 36.441 36.441 41.105 -4.664 25973 4332 1 11 . 1 1 52 52 ASP H H 52 8.490 8.490 8.832 -0.342 25973 4333 1 11 . 1 1 53 53 GLY N N 53 104.158 104.158 106.929 -2.771 25973 4334 1 11 . 1 1 53 53 GLY C C 53 172.296 172.296 174.122 -1.826 25973 4335 1 11 . 1 1 53 53 GLY CA C 53 42.633 42.633 44.954 -2.321 25973 4336 1 11 . 1 1 53 53 GLY H H 53 8.622 8.622 8.363 0.259 25973 4337 1 11 . 1 1 54 54 ARG N N 54 119.010 119.010 119.798 -0.788 25973 4338 1 11 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.589 -0.121 25973 4339 1 11 . 1 1 54 54 ARG C C 54 172.237 172.237 176.036 -3.799 25973 4340 1 11 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.141 -3.394 25973 4341 1 11 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.647 -2.075 25973 4342 1 11 . 1 1 54 54 ARG H H 54 7.397 7.397 7.988 -0.591 25973 4343 1 11 . 1 1 55 55 THR N N 55 106.762 106.762 112.219 -5.457 25973 4344 1 11 . 1 1 55 55 THR HA H 55 4.545 4.545 4.466 0.079 25973 4345 1 11 . 1 1 55 55 THR C C 55 173.492 173.492 175.812 -2.320 25973 4346 1 11 . 1 1 55 55 THR CA C 55 57.122 57.122 60.208 -3.086 25973 4347 1 11 . 1 1 55 55 THR CB C 55 69.087 69.087 71.319 -2.232 25973 4348 1 11 . 1 1 55 55 THR H H 55 7.536 7.536 8.287 -0.751 25973 4349 1 11 . 1 1 56 56 LEU N N 56 119.096 119.096 121.057 -1.961 25973 4350 1 11 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.143 -0.181 25973 4351 1 11 . 1 1 56 56 LEU C C 56 178.169 178.169 179.515 -1.346 25973 4352 1 11 . 1 1 56 56 LEU CA C 56 56.276 56.276 58.351 -2.075 25973 4353 1 11 . 1 1 56 56 LEU CB C 56 37.245 37.245 40.965 -3.720 25973 4354 1 11 . 1 1 56 56 LEU H H 56 8.258 8.258 8.768 -0.510 25973 4355 1 11 . 1 1 57 57 SER N N 57 113.389 113.389 114.561 -1.172 25973 4356 1 11 . 1 1 57 57 SER HA H 57 4.180 4.180 4.162 0.018 25973 4357 1 11 . 1 1 57 57 SER C C 57 175.491 175.491 176.385 -0.894 25973 4358 1 11 . 1 1 57 57 SER CA C 57 57.967 57.967 61.729 -3.762 25973 4359 1 11 . 1 1 57 57 SER CB C 57 59.730 59.730 62.694 -2.964 25973 4360 1 11 . 1 1 57 57 SER H H 57 8.484 8.484 8.186 0.298 25973 4361 1 11 . 1 1 58 58 ASP N N 58 122.795 122.795 120.546 2.249 25973 4362 1 11 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.505 -0.231 25973 4363 1 11 . 1 1 58 58 ASP C C 58 173.529 173.529 177.262 -3.733 25973 4364 1 11 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.526 -3.707 25973 4365 1 11 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.589 -5.929 25973 4366 1 11 . 1 1 58 58 ASP H H 58 7.893 7.893 7.894 -0.001 25973 4367 1 11 . 1 1 59 59 TYR N N 59 116.135 116.135 117.882 -1.747 25973 4368 1 11 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.415 0.208 25973 4369 1 11 . 1 1 59 59 TYR C C 59 171.756 171.756 174.801 -3.045 25973 4370 1 11 . 1 1 59 59 TYR CA C 59 55.546 55.546 58.832 -3.286 25973 4371 1 11 . 1 1 59 59 TYR CB C 59 37.146 37.146 38.964 -1.818 25973 4372 1 11 . 1 1 59 59 TYR H H 59 7.243 7.243 7.501 -0.258 25973 4373 1 11 . 1 1 60 60 ASN N N 60 115.660 115.660 116.282 -0.622 25973 4374 1 11 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.361 -0.080 25973 4375 1 11 . 1 1 60 60 ASN C C 60 171.419 171.419 174.349 -2.930 25973 4376 1 11 . 1 1 60 60 ASN CA C 60 51.470 51.470 54.280 -2.810 25973 4377 1 11 . 1 1 60 60 ASN CB C 60 34.647 34.647 36.599 -1.952 25973 4378 1 11 . 1 1 60 60 ASN H H 60 8.108 8.108 7.896 0.212 25973 4379 1 11 . 1 1 61 61 ILE N N 61 118.591 118.591 117.922 0.669 25973 4380 1 11 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.559 -0.300 25973 4381 1 11 . 1 1 61 61 ILE C C 61 171.673 171.673 176.269 -4.596 25973 4382 1 11 . 1 1 61 61 ILE CA C 61 59.737 59.737 61.626 -1.889 25973 4383 1 11 . 1 1 61 61 ILE CB C 61 34.117 34.117 36.005 -1.888 25973 4384 1 11 . 1 1 61 61 ILE H H 61 7.031 7.031 8.147 -1.116 25973 4385 1 11 . 1 1 62 62 GLN N N 62 125.176 125.176 127.563 -2.387 25973 4386 1 11 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.491 -0.023 25973 4387 1 11 . 1 1 62 62 GLN C C 62 172.907 172.907 175.185 -2.278 25973 4388 1 11 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.748 -3.801 25973 4389 1 11 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.328 -1.028 25973 4390 1 11 . 1 1 62 62 GLN H H 62 7.645 7.645 8.134 -0.489 25973 4391 1 11 . 1 1 63 63 LYS N N 63 120.040 120.040 117.847 2.193 25973 4392 1 11 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.221 -0.311 25973 4393 1 11 . 1 1 63 63 LYS C C 63 173.589 173.589 176.940 -3.351 25973 4394 1 11 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.631 -1.339 25973 4395 1 11 . 1 1 63 63 LYS CB C 63 29.920 29.920 32.660 -2.740 25973 4396 1 11 . 1 1 63 63 LYS H H 63 8.416 8.416 8.164 0.252 25973 4397 1 11 . 1 1 64 64 GLU N N 64 113.699 113.699 115.698 -1.999 25973 4398 1 11 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.166 -0.650 25973 4399 1 11 . 1 1 64 64 GLU C C 64 172.267 172.267 175.808 -3.541 25973 4400 1 11 . 1 1 64 64 GLU CA C 64 54.715 54.715 58.184 -3.469 25973 4401 1 11 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.170 -5.369 25973 4402 1 11 . 1 1 64 64 GLU H H 64 9.180 9.180 8.663 0.517 25973 4403 1 11 . 1 1 65 65 SER N N 65 115.564 115.564 114.621 0.943 25973 4404 1 11 . 1 1 65 65 SER HA H 65 4.531 4.531 4.575 -0.044 25973 4405 1 11 . 1 1 65 65 SER C C 65 169.375 169.375 174.409 -5.034 25973 4406 1 11 . 1 1 65 65 SER CA C 65 58.422 58.422 59.558 -1.136 25973 4407 1 11 . 1 1 65 65 SER CB C 65 62.153 62.153 64.037 -1.884 25973 4408 1 11 . 1 1 65 65 SER H H 65 7.818 7.818 7.512 0.306 25973 4409 1 11 . 1 1 66 66 THR N N 66 117.311 117.311 121.878 -4.567 25973 4410 1 11 . 1 1 66 66 THR HA H 66 5.106 5.106 4.799 0.307 25973 4411 1 11 . 1 1 66 66 THR C C 66 171.057 171.057 174.217 -3.160 25973 4412 1 11 . 1 1 66 66 THR CA C 66 59.814 59.814 62.718 -2.904 25973 4413 1 11 . 1 1 66 66 THR CB C 66 67.491 67.491 68.987 -1.496 25973 4414 1 11 . 1 1 66 66 THR H H 66 8.704 8.704 8.702 0.002 25973 4415 1 11 . 1 1 67 67 LEU N N 67 127.157 127.157 128.957 -1.800 25973 4416 1 11 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.671 0.280 25973 4417 1 11 . 1 1 67 67 LEU C C 67 173.090 173.090 175.616 -2.526 25973 4418 1 11 . 1 1 67 67 LEU CA C 67 51.708 51.708 54.413 -2.704 25973 4419 1 11 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.331 -2.940 25973 4420 1 11 . 1 1 67 67 LEU H H 67 9.318 9.318 9.239 0.079 25973 4421 1 11 . 1 1 68 68 HIS N N 68 118.227 118.227 120.753 -2.526 25973 4422 1 11 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.799 0.371 25973 4423 1 11 . 1 1 68 68 HIS C C 68 170.031 170.031 174.164 -4.133 25973 4424 1 11 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.761 -3.697 25973 4425 1 11 . 1 1 68 68 HIS CB C 68 27.536 27.536 29.977 -2.441 25973 4426 1 11 . 1 1 68 68 HIS H H 68 9.141 9.141 9.530 -0.389 25973 4427 1 11 . 1 1 69 69 LEU N N 69 124.847 124.847 127.801 -2.954 25973 4428 1 11 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.051 0.057 25973 4429 1 11 . 1 1 69 69 LEU C C 69 172.304 172.304 175.051 -2.747 25973 4430 1 11 . 1 1 69 69 LEU CA C 69 51.646 51.646 54.355 -2.709 25973 4431 1 11 . 1 1 69 69 LEU CB C 69 41.603 41.603 43.724 -2.121 25973 4432 1 11 . 1 1 69 69 LEU H H 69 8.332 8.332 8.704 -0.372 25973 4433 1 11 . 1 1 70 70 VAL N N 70 128.173 128.173 127.559 0.614 25973 4434 1 11 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.478 -0.028 25973 4435 1 11 . 1 1 70 70 VAL C C 70 177.746 177.746 174.230 3.516 25973 4436 1 11 . 1 1 70 70 VAL CA C 70 58.395 58.395 61.028 -2.633 25973 4437 1 11 . 1 1 70 70 VAL CB C 70 31.198 31.198 35.543 -4.345 25973 4438 1 11 . 1 1 70 70 VAL H H 70 9.159 9.159 9.249 -0.090 25973 4439 1 11 . 1 1 71 71 LEU N N 71 124.557 124.557 123.902 0.655 25973 4440 1 11 . 1 1 71 71 LEU HA H 71 4.922 4.922 5.256 -0.334 25973 4441 1 11 . 1 1 71 71 LEU C C 71 174.917 174.917 176.310 -1.393 25973 4442 1 11 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.498 -1.668 25973 4443 1 11 . 1 1 71 71 LEU CB C 71 39.997 39.997 43.654 -3.657 25973 4444 1 11 . 1 1 71 71 LEU H H 71 8.273 8.273 8.363 -0.090 25973 4445 1 11 . 1 1 72 72 ARG N N 72 123.440 123.440 125.597 -2.157 25973 4446 1 11 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.616 -0.367 25973 4447 1 11 . 1 1 72 72 ARG C C 72 172.657 172.657 175.094 -2.437 25973 4448 1 11 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.163 -2.417 25973 4449 1 11 . 1 1 72 72 ARG CB C 72 28.058 28.058 32.708 -4.650 25973 4450 1 11 . 1 1 72 72 ARG H H 72 8.532 8.532 8.571 -0.039 25973 4451 1 11 . 1 1 73 73 LEU N N 73 124.189 124.189 121.495 2.694 25973 4452 1 11 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.060 0.211 25973 4453 1 11 . 1 1 73 73 LEU C C 73 174.691 174.691 175.277 -0.586 25973 4454 1 11 . 1 1 73 73 LEU CA C 73 52.361 52.361 54.812 -2.451 25973 4455 1 11 . 1 1 73 73 LEU CB C 73 39.708 39.708 42.608 -2.900 25973 4456 1 11 . 1 1 73 73 LEU H H 73 8.289 8.289 8.569 -0.280 25973 4457 1 11 . 1 1 74 74 ARG N N 74 121.162 121.162 122.713 -1.551 25973 4458 1 11 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.646 -0.399 25973 4459 1 11 . 1 1 74 74 ARG C C 74 173.901 173.901 176.935 -3.034 25973 4460 1 11 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.412 -1.787 25973 4461 1 11 . 1 1 74 74 ARG CB C 74 28.134 28.134 31.406 -3.272 25973 4462 1 11 . 1 1 74 74 ARG H H 74 8.268 8.268 8.368 -0.100 25973 4463 1 11 . 1 1 75 75 GLY N N 75 110.230 110.230 109.384 0.846 25973 4464 1 11 . 1 1 75 75 GLY C C 75 171.504 171.504 174.655 -3.151 25973 4465 1 11 . 1 1 75 75 GLY CA C 75 42.404 42.404 45.566 -3.162 25973 4466 1 11 . 1 1 75 75 GLY H H 75 8.367 8.367 8.696 -0.329 25973 4467 1 12 . 1 1 2 2 GLN N N 2 124.960 124.960 121.220 3.740 25973 4468 1 12 . 1 1 2 2 GLN HA H 2 5.089 5.089 5.306 -0.217 25973 4469 1 12 . 1 1 2 2 GLN C C 2 172.479 172.479 174.574 -2.095 25973 4470 1 12 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.346 -2.026 25973 4471 1 12 . 1 1 2 2 GLN CB C 2 28.181 28.181 32.991 -4.810 25973 4472 1 12 . 1 1 2 2 GLN H H 2 8.807 8.807 8.198 0.609 25973 4473 1 12 . 1 1 3 3 ILE N N 3 116.556 116.556 114.947 1.609 25973 4474 1 12 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.904 -0.726 25973 4475 1 12 . 1 1 3 3 ILE C C 3 169.813 169.813 173.897 -4.084 25973 4476 1 12 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.270 -2.649 25973 4477 1 12 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.391 -2.286 25973 4478 1 12 . 1 1 3 3 ILE H H 3 8.237 8.237 8.569 -0.332 25973 4479 1 12 . 1 1 4 4 PHE N N 4 118.417 118.417 120.318 -1.901 25973 4480 1 12 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.506 -0.007 25973 4481 1 12 . 1 1 4 4 PHE C C 4 172.505 172.505 175.345 -2.840 25973 4482 1 12 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.274 -3.450 25973 4483 1 12 . 1 1 4 4 PHE CB C 4 38.890 38.890 41.794 -2.904 25973 4484 1 12 . 1 1 4 4 PHE H H 4 8.675 8.675 8.672 0.003 25973 4485 1 12 . 1 1 5 5 VAL N N 5 120.755 120.755 122.404 -1.649 25973 4486 1 12 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.644 -0.057 25973 4487 1 12 . 1 1 5 5 VAL C C 5 172.070 172.070 174.696 -2.626 25973 4488 1 12 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.131 -3.011 25973 4489 1 12 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.679 -2.631 25973 4490 1 12 . 1 1 5 5 VAL H H 5 9.190 9.190 9.079 0.111 25973 4491 1 12 . 1 1 6 6 LYS N N 6 127.964 127.964 128.649 -0.685 25973 4492 1 12 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.975 0.263 25973 4493 1 12 . 1 1 6 6 LYS C C 6 174.119 174.119 176.121 -2.002 25973 4494 1 12 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.970 -3.099 25973 4495 1 12 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.838 -2.170 25973 4496 1 12 . 1 1 6 6 LYS H H 6 8.758 8.758 9.220 -0.462 25973 4497 1 12 . 1 1 7 7 THR N N 7 115.618 115.618 118.350 -2.732 25973 4498 1 12 . 1 1 7 7 THR HA H 7 4.912 4.912 4.688 0.224 25973 4499 1 12 . 1 1 7 7 THR C C 7 173.994 173.994 176.495 -2.501 25973 4500 1 12 . 1 1 7 7 THR CA C 7 57.844 57.844 59.561 -1.717 25973 4501 1 12 . 1 1 7 7 THR CB C 7 68.137 68.137 70.701 -2.564 25973 4502 1 12 . 1 1 7 7 THR H H 7 8.573 8.573 8.244 0.329 25973 4503 1 12 . 1 1 8 8 LEU N N 8 122.083 122.083 120.336 1.747 25973 4504 1 12 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.299 -0.090 25973 4505 1 12 . 1 1 8 8 LEU C C 8 176.005 176.005 177.882 -1.877 25973 4506 1 12 . 1 1 8 8 LEU CA C 8 55.656 55.656 57.052 -1.396 25973 4507 1 12 . 1 1 8 8 LEU CB C 8 39.247 39.247 40.378 -1.131 25973 4508 1 12 . 1 1 8 8 LEU H H 8 9.034 9.034 8.901 0.133 25973 4509 1 12 . 1 1 9 9 THR N N 9 105.803 105.803 108.159 -2.356 25973 4510 1 12 . 1 1 9 9 THR HA H 9 4.503 4.503 4.350 0.153 25973 4511 1 12 . 1 1 9 9 THR C C 9 172.624 172.624 175.736 -3.112 25973 4512 1 12 . 1 1 9 9 THR CA C 9 58.961 58.961 61.715 -2.754 25973 4513 1 12 . 1 1 9 9 THR CB C 9 66.541 66.541 70.281 -3.740 25973 4514 1 12 . 1 1 9 9 THR H H 9 7.582 7.582 7.552 0.030 25973 4515 1 12 . 1 1 10 10 GLY N N 10 109.254 109.254 111.024 -1.770 25973 4516 1 12 . 1 1 10 10 GLY C C 10 171.405 171.405 173.570 -2.165 25973 4517 1 12 . 1 1 10 10 GLY CA C 10 42.653 42.653 44.998 -2.345 25973 4518 1 12 . 1 1 10 10 GLY H H 10 7.770 7.770 8.072 -0.302 25973 4519 1 12 . 1 1 11 11 LYS N N 11 121.278 121.278 122.966 -1.688 25973 4520 1 12 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.073 0.235 25973 4521 1 12 . 1 1 11 11 LYS C C 11 173.489 173.489 175.798 -2.309 25973 4522 1 12 . 1 1 11 11 LYS CA C 11 53.385 53.385 57.303 -3.918 25973 4523 1 12 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.951 -2.779 25973 4524 1 12 . 1 1 11 11 LYS H H 11 7.313 7.313 7.541 -0.228 25973 4525 1 12 . 1 1 12 12 THR N N 12 120.644 120.644 121.939 -1.295 25973 4526 1 12 . 1 1 12 12 THR HA H 12 4.972 4.972 5.113 -0.141 25973 4527 1 12 . 1 1 12 12 THR C C 12 171.547 171.547 174.634 -3.087 25973 4528 1 12 . 1 1 12 12 THR CA C 12 59.880 59.880 61.806 -1.925 25973 4529 1 12 . 1 1 12 12 THR CB C 12 67.386 67.386 69.285 -1.899 25973 4530 1 12 . 1 1 12 12 THR H H 12 8.659 8.659 8.164 0.495 25973 4531 1 12 . 1 1 13 13 ILE N N 13 125.497 125.497 127.411 -1.914 25973 4532 1 12 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.460 0.078 25973 4533 1 12 . 1 1 13 13 ILE C C 13 172.300 172.300 175.430 -3.130 25973 4534 1 12 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.009 -2.895 25973 4535 1 12 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.472 -0.777 25973 4536 1 12 . 1 1 13 13 ILE H H 13 9.169 9.169 8.859 0.310 25973 4537 1 12 . 1 1 14 14 THR N N 14 120.078 120.078 122.226 -2.148 25973 4538 1 12 . 1 1 14 14 THR HA H 14 4.883 4.883 4.975 -0.092 25973 4539 1 12 . 1 1 14 14 THR C C 14 170.915 170.915 173.831 -2.916 25973 4540 1 12 . 1 1 14 14 THR CA C 14 58.998 58.998 61.545 -2.547 25973 4541 1 12 . 1 1 14 14 THR CB C 14 67.221 67.221 69.314 -2.093 25973 4542 1 12 . 1 1 14 14 THR H H 14 8.596 8.596 8.470 0.126 25973 4543 1 12 . 1 1 15 15 LEU N N 15 124.381 124.381 127.207 -2.826 25973 4544 1 12 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.698 0.058 25973 4545 1 12 . 1 1 15 15 LEU C C 15 172.377 172.377 175.035 -2.658 25973 4546 1 12 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.608 -3.607 25973 4547 1 12 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.650 -1.529 25973 4548 1 12 . 1 1 15 15 LEU H H 15 8.706 8.706 8.583 0.123 25973 4549 1 12 . 1 1 16 16 GLU N N 16 122.156 122.156 122.757 -0.601 25973 4550 1 12 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.910 -0.058 25973 4551 1 12 . 1 1 16 16 GLU C C 16 172.785 172.785 175.576 -2.791 25973 4552 1 12 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.353 -3.636 25973 4553 1 12 . 1 1 16 16 GLU CB C 16 25.232 25.232 31.386 -6.154 25973 4554 1 12 . 1 1 16 16 GLU H H 16 8.259 8.259 8.572 -0.313 25973 4555 1 12 . 1 1 17 17 VAL N N 17 115.706 115.706 120.860 -5.154 25973 4556 1 12 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.540 0.093 25973 4557 1 12 . 1 1 17 17 VAL C C 17 171.495 171.495 173.816 -2.321 25973 4558 1 12 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.480 -3.813 25973 4559 1 12 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.563 -1.348 25973 4560 1 12 . 1 1 17 17 VAL H H 17 8.631 8.631 7.999 0.632 25973 4561 1 12 . 1 1 18 18 GLU N N 18 117.702 117.702 121.106 -3.404 25973 4562 1 12 . 1 1 18 18 GLU H H 18 7.705 7.705 8.152 -0.447 25973 4563 1 12 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.158 -0.121 25973 4564 1 12 . 1 1 19 19 PRO C C 19 172.411 172.411 177.288 -4.877 25973 4565 1 12 . 1 1 19 19 PRO CA C 19 62.565 62.565 65.284 -2.719 25973 4566 1 12 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.263 -2.909 25973 4567 1 12 . 1 1 20 20 SER N N 20 104.376 104.376 111.396 -7.020 25973 4568 1 12 . 1 1 20 20 SER HA H 20 4.270 4.270 4.243 0.027 25973 4569 1 12 . 1 1 20 20 SER C C 20 172.006 172.006 174.880 -2.874 25973 4570 1 12 . 1 1 20 20 SER CA C 20 54.697 54.697 58.809 -4.112 25973 4571 1 12 . 1 1 20 20 SER CB C 20 60.491 60.491 63.032 -2.541 25973 4572 1 12 . 1 1 20 20 SER H H 20 7.127 7.127 7.805 -0.678 25973 4573 1 12 . 1 1 21 21 ASP N N 21 121.646 121.646 123.708 -2.062 25973 4574 1 12 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.652 0.062 25973 4575 1 12 . 1 1 21 21 ASP C C 21 172.786 172.786 175.699 -2.913 25973 4576 1 12 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.759 -3.323 25973 4577 1 12 . 1 1 21 21 ASP CB C 21 36.288 36.288 41.966 -5.678 25973 4578 1 12 . 1 1 21 21 ASP H H 21 7.890 7.890 7.824 0.066 25973 4579 1 12 . 1 1 22 22 THR N N 22 109.295 109.295 114.291 -4.996 25973 4580 1 12 . 1 1 22 22 THR HA H 22 4.833 4.833 4.535 0.298 25973 4581 1 12 . 1 1 22 22 THR C C 22 173.653 173.653 176.249 -2.596 25973 4582 1 12 . 1 1 22 22 THR CA C 22 57.439 57.439 59.705 -2.266 25973 4583 1 12 . 1 1 22 22 THR CB C 22 68.925 68.925 71.569 -2.644 25973 4584 1 12 . 1 1 22 22 THR H H 22 8.202 8.202 7.977 0.225 25973 4585 1 12 . 1 1 23 23 ILE N N 23 121.424 121.424 121.335 0.089 25973 4586 1 12 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.663 -0.067 25973 4587 1 12 . 1 1 23 23 ILE C C 23 176.250 176.250 177.866 -1.616 25973 4588 1 12 . 1 1 23 23 ILE CA C 23 59.208 59.208 63.796 -4.588 25973 4589 1 12 . 1 1 23 23 ILE CB C 23 31.692 31.692 37.012 -5.320 25973 4590 1 12 . 1 1 23 23 ILE H H 23 8.450 8.450 8.829 -0.379 25973 4591 1 12 . 1 1 24 24 GLU N N 24 120.359 120.359 119.467 0.892 25973 4592 1 12 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.924 -0.110 25973 4593 1 12 . 1 1 24 24 GLU C C 24 175.008 175.008 178.895 -3.887 25973 4594 1 12 . 1 1 24 24 GLU CA C 24 56.671 56.671 60.171 -3.500 25973 4595 1 12 . 1 1 24 24 GLU CB C 24 25.586 25.586 28.980 -3.394 25973 4596 1 12 . 1 1 24 24 GLU H H 24 8.802 8.802 8.489 0.313 25973 4597 1 12 . 1 1 25 25 ASN N N 25 119.035 119.035 117.715 1.320 25973 4598 1 12 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.520 -0.127 25973 4599 1 12 . 1 1 25 25 ASN C C 25 175.438 175.438 177.328 -1.890 25973 4600 1 12 . 1 1 25 25 ASN CA C 25 53.655 53.655 55.992 -2.337 25973 4601 1 12 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.703 -2.434 25973 4602 1 12 . 1 1 25 25 ASN H H 25 7.928 7.928 8.004 -0.076 25973 4603 1 12 . 1 1 26 26 ALA N N 26 122.272 122.272 123.438 -1.166 25973 4604 1 12 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.966 -0.155 25973 4605 1 12 . 1 1 26 26 ALA C C 26 176.256 176.256 179.337 -3.081 25973 4606 1 12 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.161 -2.115 25973 4607 1 12 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.436 -5.182 25973 4608 1 12 . 1 1 26 26 ALA H H 26 7.949 7.949 7.473 0.476 25973 4609 1 12 . 1 1 27 27 LYS N N 27 117.069 117.069 118.684 -1.615 25973 4610 1 12 . 1 1 27 27 LYS H H 27 8.469 8.469 8.221 0.248 25973 4611 1 12 . 1 1 28 28 ALA HA H 28 4.069 4.069 3.987 0.082 25973 4612 1 12 . 1 1 28 28 ALA C C 28 177.699 177.699 179.206 -1.507 25973 4613 1 12 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.228 -2.661 25973 4614 1 12 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.331 -3.378 25973 4615 1 12 . 1 1 29 29 LYS N N 29 119.644 119.644 119.283 0.361 25973 4616 1 12 . 1 1 29 29 LYS HA H 29 4.101 4.101 4.001 0.100 25973 4617 1 12 . 1 1 29 29 LYS C C 29 177.487 177.487 179.187 -1.700 25973 4618 1 12 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.641 -2.816 25973 4619 1 12 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.475 -2.253 25973 4620 1 12 . 1 1 29 29 LYS H H 29 7.726 7.726 7.455 0.271 25973 4621 1 12 . 1 1 30 30 ILE N N 30 121.905 121.905 119.762 2.143 25973 4622 1 12 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.636 0.546 25973 4623 1 12 . 1 1 30 30 ILE C C 30 175.724 175.724 177.455 -1.731 25973 4624 1 12 . 1 1 30 30 ILE CA C 30 63.545 63.545 64.991 -1.446 25973 4625 1 12 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.955 -3.750 25973 4626 1 12 . 1 1 30 30 ILE H H 30 8.206 8.206 7.900 0.306 25973 4627 1 12 . 1 1 31 31 GLN N N 31 123.624 123.624 121.133 2.491 25973 4628 1 12 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.118 -0.382 25973 4629 1 12 . 1 1 31 31 GLN C C 31 176.118 176.118 178.226 -2.108 25973 4630 1 12 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.067 -1.969 25973 4631 1 12 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.472 -2.922 25973 4632 1 12 . 1 1 31 31 GLN H H 31 8.597 8.597 7.953 0.644 25973 4633 1 12 . 1 1 32 32 ASP N N 32 118.441 118.441 118.703 -0.262 25973 4634 1 12 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.520 -0.206 25973 4635 1 12 . 1 1 32 32 ASP C C 32 173.568 173.568 177.369 -3.801 25973 4636 1 12 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.369 -3.005 25973 4637 1 12 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.826 -5.673 25973 4638 1 12 . 1 1 32 32 ASP H H 32 7.994 7.994 7.893 0.101 25973 4639 1 12 . 1 1 33 33 LYS N N 33 115.568 115.568 118.731 -3.163 25973 4640 1 12 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.282 0.013 25973 4641 1 12 . 1 1 33 33 LYS C C 33 174.935 174.935 177.473 -2.538 25973 4642 1 12 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.617 -2.187 25973 4643 1 12 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.380 -1.567 25973 4644 1 12 . 1 1 33 33 LYS H H 33 7.383 7.383 7.205 0.178 25973 4645 1 12 . 1 1 34 34 GLU N N 34 113.069 113.069 115.473 -2.404 25973 4646 1 12 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.528 0.091 25973 4647 1 12 . 1 1 34 34 GLU C C 34 174.551 174.551 177.124 -2.573 25973 4648 1 12 . 1 1 34 34 GLU CA C 34 52.222 52.222 55.436 -3.214 25973 4649 1 12 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.133 -1.220 25973 4650 1 12 . 1 1 34 34 GLU H H 34 8.697 8.697 8.262 0.435 25973 4651 1 12 . 1 1 35 35 GLY N N 35 108.734 108.734 108.320 0.414 25973 4652 1 12 . 1 1 35 35 GLY C C 35 170.888 170.888 174.630 -3.742 25973 4653 1 12 . 1 1 35 35 GLY H H 35 8.564 8.564 8.146 0.418 25973 4654 1 12 . 1 1 36 36 ILE N N 36 116.747 116.747 122.567 -5.820 25973 4655 1 12 . 1 1 36 36 ILE H H 36 6.763 6.763 7.800 -1.037 25973 4656 1 12 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.300 -0.308 25973 4657 1 12 . 1 1 38 38 PRO C C 38 175.657 175.657 178.087 -2.430 25973 4658 1 12 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.134 -1.400 25973 4659 1 12 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.734 -1.575 25973 4660 1 12 . 1 1 39 39 ASP N N 39 113.150 113.150 117.803 -4.653 25973 4661 1 12 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.456 -0.051 25973 4662 1 12 . 1 1 39 39 ASP C C 39 173.637 173.637 176.502 -2.865 25973 4663 1 12 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.361 -4.398 25973 4664 1 12 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.255 -5.956 25973 4665 1 12 . 1 1 39 39 ASP H H 39 8.758 8.758 8.543 0.215 25973 4666 1 12 . 1 1 40 40 GLN N N 40 118.365 118.365 117.103 1.262 25973 4667 1 12 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.616 -0.215 25973 4668 1 12 . 1 1 40 40 GLN C C 40 172.173 172.173 174.563 -2.390 25973 4669 1 12 . 1 1 40 40 GLN CA C 40 52.926 52.926 54.728 -1.802 25973 4670 1 12 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.575 -2.152 25973 4671 1 12 . 1 1 40 40 GLN H H 40 7.949 7.949 7.783 0.166 25973 4672 1 12 . 1 1 41 41 GLN N N 41 117.813 117.813 119.513 -1.700 25973 4673 1 12 . 1 1 41 41 GLN C C 41 172.785 172.785 175.753 -2.968 25973 4674 1 12 . 1 1 41 41 GLN H H 41 7.490 7.490 7.335 0.155 25973 4675 1 12 . 1 1 42 42 ARG N N 42 115.761 115.761 125.810 -10.049 25973 4676 1 12 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.600 -0.173 25973 4677 1 12 . 1 1 42 42 ARG C C 42 171.412 171.412 174.167 -2.755 25973 4678 1 12 . 1 1 42 42 ARG CA C 42 52.312 52.312 54.992 -2.680 25973 4679 1 12 . 1 1 42 42 ARG CB C 42 28.635 28.635 32.504 -3.869 25973 4680 1 12 . 1 1 42 42 ARG H H 42 8.631 8.631 8.420 0.211 25973 4681 1 12 . 1 1 43 43 LEU N N 43 124.185 124.185 126.760 -2.575 25973 4682 1 12 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.727 0.567 25973 4683 1 12 . 1 1 43 43 LEU C C 43 172.374 172.374 176.190 -3.816 25973 4684 1 12 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.689 -3.835 25973 4685 1 12 . 1 1 43 43 LEU CB C 43 43.114 43.114 42.870 0.244 25973 4686 1 12 . 1 1 43 43 LEU H H 43 8.673 8.673 8.633 0.040 25973 4687 1 12 . 1 1 44 44 ILE N N 44 122.386 122.386 124.942 -2.556 25973 4688 1 12 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.430 0.489 25973 4689 1 12 . 1 1 44 44 ILE C C 44 173.248 173.248 174.308 -1.060 25973 4690 1 12 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.022 -3.595 25973 4691 1 12 . 1 1 44 44 ILE CB C 44 39.130 39.130 41.955 -2.825 25973 4692 1 12 . 1 1 44 44 ILE H H 44 8.970 8.970 9.157 -0.187 25973 4693 1 12 . 1 1 45 45 PHE N N 45 125.287 125.287 126.477 -1.190 25973 4694 1 12 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.973 -0.018 25973 4695 1 12 . 1 1 45 45 PHE C C 45 171.645 171.645 174.708 -3.063 25973 4696 1 12 . 1 1 45 45 PHE CA C 45 54.395 54.395 55.997 -1.602 25973 4697 1 12 . 1 1 45 45 PHE CB C 45 41.282 41.282 42.653 -1.371 25973 4698 1 12 . 1 1 45 45 PHE H H 45 8.658 8.658 8.509 0.149 25973 4699 1 12 . 1 1 46 46 ALA N N 46 100.596 100.596 121.689 -21.093 25973 4700 1 12 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.730 -0.104 25973 4701 1 12 . 1 1 46 46 ALA C C 46 174.527 174.527 177.773 -3.246 25973 4702 1 12 . 1 1 46 46 ALA CA C 46 49.877 49.877 52.842 -2.965 25973 4703 1 12 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.744 -3.877 25973 4704 1 12 . 1 1 46 46 ALA H H 46 8.687 8.687 6.806 1.881 25973 4705 1 12 . 1 1 47 47 GLY N N 47 102.825 102.825 105.734 -2.909 25973 4706 1 12 . 1 1 47 47 GLY C C 47 171.138 171.138 173.868 -2.730 25973 4707 1 12 . 1 1 47 47 GLY CA C 47 42.658 42.658 44.480 -1.822 25973 4708 1 12 . 1 1 47 47 GLY H H 47 8.193 8.193 7.750 0.443 25973 4709 1 12 . 1 1 48 48 LYS N N 48 121.451 121.451 122.992 -1.541 25973 4710 1 12 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.483 0.059 25973 4711 1 12 . 1 1 48 48 LYS C C 48 171.954 171.954 177.160 -5.206 25973 4712 1 12 . 1 1 48 48 LYS CA C 48 51.653 51.653 55.992 -4.339 25973 4713 1 12 . 1 1 48 48 LYS CB C 48 31.761 31.761 32.679 -0.919 25973 4714 1 12 . 1 1 48 48 LYS H H 48 7.888 7.888 7.590 0.298 25973 4715 1 12 . 1 1 49 49 GLN N N 49 121.884 121.884 120.020 1.864 25973 4716 1 12 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.117 0.301 25973 4717 1 12 . 1 1 49 49 GLN C C 49 173.073 173.073 176.386 -3.313 25973 4718 1 12 . 1 1 49 49 GLN CA C 49 52.999 52.999 57.365 -4.366 25973 4719 1 12 . 1 1 49 49 GLN CB C 49 26.041 26.041 28.907 -2.866 25973 4720 1 12 . 1 1 49 49 GLN H H 49 8.521 8.521 8.285 0.236 25973 4721 1 12 . 1 1 50 50 LEU N N 50 125.208 125.208 119.521 5.687 25973 4722 1 12 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.296 -0.350 25973 4723 1 12 . 1 1 50 50 LEU C C 50 173.823 173.823 176.946 -3.123 25973 4724 1 12 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.927 -3.345 25973 4725 1 12 . 1 1 50 50 LEU CB C 50 38.906 38.906 41.760 -2.854 25973 4726 1 12 . 1 1 50 50 LEU H H 50 8.427 8.427 7.603 0.824 25973 4727 1 12 . 1 1 51 51 GLU N N 51 122.400 122.400 119.619 2.781 25973 4728 1 12 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.367 0.057 25973 4729 1 12 . 1 1 51 51 GLU C C 51 173.730 173.730 177.564 -3.834 25973 4730 1 12 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.519 -2.698 25973 4731 1 12 . 1 1 51 51 GLU CB C 51 27.076 27.076 31.302 -4.226 25973 4732 1 12 . 1 1 51 51 GLU H H 51 8.333 8.333 8.366 -0.033 25973 4733 1 12 . 1 1 52 52 ASP N N 52 119.615 119.615 122.597 -2.982 25973 4734 1 12 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.419 -0.160 25973 4735 1 12 . 1 1 52 52 ASP C C 52 173.507 173.507 177.392 -3.885 25973 4736 1 12 . 1 1 52 52 ASP CA C 52 53.536 53.536 56.525 -2.989 25973 4737 1 12 . 1 1 52 52 ASP CB C 52 36.441 36.441 40.443 -4.002 25973 4738 1 12 . 1 1 52 52 ASP H H 52 8.490 8.490 8.821 -0.331 25973 4739 1 12 . 1 1 53 53 GLY N N 53 104.158 104.158 105.566 -1.408 25973 4740 1 12 . 1 1 53 53 GLY C C 53 172.296 172.296 174.977 -2.681 25973 4741 1 12 . 1 1 53 53 GLY CA C 53 42.633 42.633 45.173 -2.540 25973 4742 1 12 . 1 1 53 53 GLY H H 53 8.622 8.622 7.951 0.671 25973 4743 1 12 . 1 1 54 54 ARG N N 54 119.010 119.010 119.524 -0.514 25973 4744 1 12 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.685 -0.217 25973 4745 1 12 . 1 1 54 54 ARG C C 54 172.237 172.237 174.996 -2.759 25973 4746 1 12 . 1 1 54 54 ARG CA C 54 51.747 51.747 54.791 -3.044 25973 4747 1 12 . 1 1 54 54 ARG CB C 54 29.572 29.572 32.439 -2.867 25973 4748 1 12 . 1 1 54 54 ARG H H 54 7.397 7.397 8.142 -0.745 25973 4749 1 12 . 1 1 55 55 THR N N 55 106.762 106.762 112.706 -5.944 25973 4750 1 12 . 1 1 55 55 THR HA H 55 4.545 4.545 4.671 -0.126 25973 4751 1 12 . 1 1 55 55 THR C C 55 173.492 173.492 175.162 -1.670 25973 4752 1 12 . 1 1 55 55 THR CA C 55 57.122 57.122 60.337 -3.215 25973 4753 1 12 . 1 1 55 55 THR CB C 55 69.087 69.087 70.560 -1.473 25973 4754 1 12 . 1 1 55 55 THR H H 55 7.536 7.536 8.150 -0.614 25973 4755 1 12 . 1 1 56 56 LEU N N 56 119.096 119.096 121.181 -2.085 25973 4756 1 12 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.183 -0.221 25973 4757 1 12 . 1 1 56 56 LEU C C 56 178.169 178.169 178.853 -0.684 25973 4758 1 12 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.376 -1.099 25973 4759 1 12 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.600 -4.355 25973 4760 1 12 . 1 1 56 56 LEU H H 56 8.258 8.258 8.373 -0.115 25973 4761 1 12 . 1 1 57 57 SER N N 57 113.389 113.389 115.960 -2.571 25973 4762 1 12 . 1 1 57 57 SER HA H 57 4.180 4.180 4.210 -0.030 25973 4763 1 12 . 1 1 57 57 SER C C 57 175.491 175.491 176.615 -1.124 25973 4764 1 12 . 1 1 57 57 SER CA C 57 57.967 57.967 61.057 -3.090 25973 4765 1 12 . 1 1 57 57 SER CB C 57 59.730 59.730 62.549 -2.819 25973 4766 1 12 . 1 1 57 57 SER H H 57 8.484 8.484 8.281 0.203 25973 4767 1 12 . 1 1 58 58 ASP N N 58 122.795 122.795 121.139 1.656 25973 4768 1 12 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.484 -0.210 25973 4769 1 12 . 1 1 58 58 ASP C C 58 173.529 173.529 176.726 -3.197 25973 4770 1 12 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.197 -3.378 25973 4771 1 12 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.468 -5.809 25973 4772 1 12 . 1 1 58 58 ASP H H 58 7.893 7.893 7.774 0.119 25973 4773 1 12 . 1 1 59 59 TYR N N 59 116.135 116.135 117.144 -1.009 25973 4774 1 12 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.461 0.162 25973 4775 1 12 . 1 1 59 59 TYR C C 59 171.756 171.756 175.148 -3.392 25973 4776 1 12 . 1 1 59 59 TYR CA C 59 55.546 55.546 58.712 -3.166 25973 4777 1 12 . 1 1 59 59 TYR CB C 59 37.146 37.146 39.070 -1.924 25973 4778 1 12 . 1 1 59 59 TYR H H 59 7.243 7.243 7.583 -0.340 25973 4779 1 12 . 1 1 60 60 ASN N N 60 115.660 115.660 116.912 -1.252 25973 4780 1 12 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.390 -0.109 25973 4781 1 12 . 1 1 60 60 ASN C C 60 171.419 171.419 174.919 -3.500 25973 4782 1 12 . 1 1 60 60 ASN CA C 60 51.470 51.470 53.783 -2.313 25973 4783 1 12 . 1 1 60 60 ASN CB C 60 34.647 34.647 37.142 -2.495 25973 4784 1 12 . 1 1 60 60 ASN H H 60 8.108 8.108 8.082 0.026 25973 4785 1 12 . 1 1 61 61 ILE N N 61 118.591 118.591 118.925 -0.334 25973 4786 1 12 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.726 -0.467 25973 4787 1 12 . 1 1 61 61 ILE C C 61 171.673 171.673 176.213 -4.540 25973 4788 1 12 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.608 -2.871 25973 4789 1 12 . 1 1 61 61 ILE CB C 61 34.117 34.117 36.841 -2.724 25973 4790 1 12 . 1 1 61 61 ILE H H 61 7.031 7.031 8.027 -0.996 25973 4791 1 12 . 1 1 62 62 GLN N N 62 125.176 125.176 126.655 -1.479 25973 4792 1 12 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.478 -0.010 25973 4793 1 12 . 1 1 62 62 GLN C C 62 172.907 172.907 175.140 -2.233 25973 4794 1 12 . 1 1 62 62 GLN CA C 62 50.947 50.947 55.021 -4.074 25973 4795 1 12 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.628 -1.328 25973 4796 1 12 . 1 1 62 62 GLN H H 62 7.645 7.645 8.424 -0.779 25973 4797 1 12 . 1 1 63 63 LYS N N 63 120.040 120.040 118.045 1.995 25973 4798 1 12 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.251 -0.341 25973 4799 1 12 . 1 1 63 63 LYS C C 63 173.589 173.589 177.146 -3.557 25973 4800 1 12 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.044 -0.752 25973 4801 1 12 . 1 1 63 63 LYS CB C 63 29.920 29.920 33.301 -3.381 25973 4802 1 12 . 1 1 63 63 LYS H H 63 8.416 8.416 8.087 0.329 25973 4803 1 12 . 1 1 64 64 GLU N N 64 113.699 113.699 116.746 -3.047 25973 4804 1 12 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.063 -0.547 25973 4805 1 12 . 1 1 64 64 GLU C C 64 172.267 172.267 175.626 -3.359 25973 4806 1 12 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.611 -2.896 25973 4807 1 12 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.318 -5.517 25973 4808 1 12 . 1 1 64 64 GLU H H 64 9.180 9.180 8.745 0.435 25973 4809 1 12 . 1 1 65 65 SER N N 65 115.564 115.564 113.326 2.238 25973 4810 1 12 . 1 1 65 65 SER HA H 65 4.531 4.531 4.767 -0.236 25973 4811 1 12 . 1 1 65 65 SER C C 65 169.375 169.375 174.223 -4.848 25973 4812 1 12 . 1 1 65 65 SER CA C 65 58.422 58.422 58.422 0.000 25973 4813 1 12 . 1 1 65 65 SER CB C 65 62.153 62.153 65.319 -3.166 25973 4814 1 12 . 1 1 65 65 SER H H 65 7.818 7.818 7.846 -0.028 25973 4815 1 12 . 1 1 66 66 THR N N 66 117.311 117.311 122.647 -5.336 25973 4816 1 12 . 1 1 66 66 THR HA H 66 5.106 5.106 4.611 0.495 25973 4817 1 12 . 1 1 66 66 THR C C 66 171.057 171.057 174.039 -2.982 25973 4818 1 12 . 1 1 66 66 THR CA C 66 59.814 59.814 63.199 -3.385 25973 4819 1 12 . 1 1 66 66 THR CB C 66 67.491 67.491 69.203 -1.712 25973 4820 1 12 . 1 1 66 66 THR H H 66 8.704 8.704 8.769 -0.065 25973 4821 1 12 . 1 1 67 67 LEU N N 67 127.157 127.157 129.216 -2.059 25973 4822 1 12 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.708 0.243 25973 4823 1 12 . 1 1 67 67 LEU C C 67 173.090 173.090 175.714 -2.624 25973 4824 1 12 . 1 1 67 67 LEU CA C 67 51.708 51.708 54.182 -2.474 25973 4825 1 12 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.369 -2.978 25973 4826 1 12 . 1 1 67 67 LEU H H 67 9.318 9.318 9.240 0.078 25973 4827 1 12 . 1 1 68 68 HIS N N 68 118.227 118.227 122.676 -4.449 25973 4828 1 12 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.806 0.364 25973 4829 1 12 . 1 1 68 68 HIS C C 68 170.031 170.031 174.211 -4.180 25973 4830 1 12 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.469 -3.405 25973 4831 1 12 . 1 1 68 68 HIS CB C 68 27.536 27.536 29.811 -2.275 25973 4832 1 12 . 1 1 68 68 HIS H H 68 9.141 9.141 9.554 -0.413 25973 4833 1 12 . 1 1 69 69 LEU N N 69 124.847 124.847 128.515 -3.668 25973 4834 1 12 . 1 1 69 69 LEU HA H 69 5.108 5.108 4.834 0.274 25973 4835 1 12 . 1 1 69 69 LEU C C 69 172.304 172.304 174.866 -2.562 25973 4836 1 12 . 1 1 69 69 LEU CA C 69 51.646 51.646 54.259 -2.613 25973 4837 1 12 . 1 1 69 69 LEU CB C 69 41.603 41.603 42.325 -0.722 25973 4838 1 12 . 1 1 69 69 LEU H H 69 8.332 8.332 8.356 -0.024 25973 4839 1 12 . 1 1 70 70 VAL N N 70 128.173 128.173 128.860 -0.687 25973 4840 1 12 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.462 -0.012 25973 4841 1 12 . 1 1 70 70 VAL C C 70 177.746 177.746 174.257 3.489 25973 4842 1 12 . 1 1 70 70 VAL CA C 70 58.395 58.395 60.063 -1.668 25973 4843 1 12 . 1 1 70 70 VAL CB C 70 31.198 31.198 33.991 -2.793 25973 4844 1 12 . 1 1 70 70 VAL H H 70 9.159 9.159 9.254 -0.095 25973 4845 1 12 . 1 1 71 71 LEU N N 71 124.557 124.557 124.504 0.053 25973 4846 1 12 . 1 1 71 71 LEU HA H 71 4.922 4.922 4.994 -0.072 25973 4847 1 12 . 1 1 71 71 LEU C C 71 174.917 174.917 176.440 -1.523 25973 4848 1 12 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.488 -1.658 25973 4849 1 12 . 1 1 71 71 LEU CB C 71 39.997 39.997 44.001 -4.004 25973 4850 1 12 . 1 1 71 71 LEU H H 71 8.273 8.273 8.260 0.013 25973 4851 1 12 . 1 1 72 72 ARG N N 72 123.440 123.440 126.131 -2.691 25973 4852 1 12 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.279 -0.030 25973 4853 1 12 . 1 1 72 72 ARG C C 72 172.657 172.657 174.801 -2.144 25973 4854 1 12 . 1 1 72 72 ARG CA C 72 52.746 52.746 56.628 -3.882 25973 4855 1 12 . 1 1 72 72 ARG CB C 72 28.058 28.058 31.124 -3.066 25973 4856 1 12 . 1 1 72 72 ARG H H 72 8.532 8.532 8.221 0.311 25973 4857 1 12 . 1 1 73 73 LEU N N 73 124.189 124.189 127.180 -2.991 25973 4858 1 12 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.522 -0.251 25973 4859 1 12 . 1 1 73 73 LEU C C 73 174.691 174.691 176.132 -1.441 25973 4860 1 12 . 1 1 73 73 LEU CA C 73 52.361 52.361 54.581 -2.220 25973 4861 1 12 . 1 1 73 73 LEU CB C 73 39.708 39.708 43.280 -3.572 25973 4862 1 12 . 1 1 73 73 LEU H H 73 8.289 8.289 8.498 -0.209 25973 4863 1 12 . 1 1 74 74 ARG N N 74 121.162 121.162 123.313 -2.151 25973 4864 1 12 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.778 -0.531 25973 4865 1 12 . 1 1 74 74 ARG C C 74 173.901 173.901 176.785 -2.884 25973 4866 1 12 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.726 -2.101 25973 4867 1 12 . 1 1 74 74 ARG CB C 74 28.134 28.134 31.620 -3.486 25973 4868 1 12 . 1 1 74 74 ARG H H 74 8.268 8.268 8.339 -0.071 25973 4869 1 12 . 1 1 75 75 GLY N N 75 110.230 110.230 107.776 2.454 25973 4870 1 12 . 1 1 75 75 GLY C C 75 171.504 171.504 174.396 -2.892 25973 4871 1 12 . 1 1 75 75 GLY CA C 75 42.404 42.404 45.474 -3.070 25973 4872 1 12 . 1 1 75 75 GLY H H 75 8.367 8.367 9.106 -0.739 25973 4873 1 13 . 1 1 2 2 GLN N N 2 124.960 124.960 116.363 8.597 25973 4874 1 13 . 1 1 2 2 GLN HA H 2 5.089 5.089 4.959 0.130 25973 4875 1 13 . 1 1 2 2 GLN C C 2 172.479 172.479 173.150 -0.671 25973 4876 1 13 . 1 1 2 2 GLN CA C 2 52.320 52.320 55.416 -3.096 25973 4877 1 13 . 1 1 2 2 GLN CB C 2 28.181 28.181 32.126 -3.945 25973 4878 1 13 . 1 1 2 2 GLN H H 2 8.807 8.807 8.491 0.316 25973 4879 1 13 . 1 1 3 3 ILE N N 3 116.556 116.556 113.662 2.894 25973 4880 1 13 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.468 -0.290 25973 4881 1 13 . 1 1 3 3 ILE C C 3 169.813 169.813 173.451 -3.638 25973 4882 1 13 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.576 -2.955 25973 4883 1 13 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.596 -2.491 25973 4884 1 13 . 1 1 3 3 ILE H H 3 8.237 8.237 8.095 0.142 25973 4885 1 13 . 1 1 4 4 PHE N N 4 118.417 118.417 120.284 -1.867 25973 4886 1 13 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.376 0.123 25973 4887 1 13 . 1 1 4 4 PHE C C 4 172.505 172.505 175.298 -2.793 25973 4888 1 13 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.474 -3.650 25973 4889 1 13 . 1 1 4 4 PHE CB C 4 38.890 38.890 41.671 -2.781 25973 4890 1 13 . 1 1 4 4 PHE H H 4 8.675 8.675 8.360 0.315 25973 4891 1 13 . 1 1 5 5 VAL N N 5 120.755 120.755 123.191 -2.436 25973 4892 1 13 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.511 0.076 25973 4893 1 13 . 1 1 5 5 VAL C C 5 172.070 172.070 174.397 -2.327 25973 4894 1 13 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.242 -3.122 25973 4895 1 13 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.615 -2.567 25973 4896 1 13 . 1 1 5 5 VAL H H 5 9.190 9.190 9.121 0.069 25973 4897 1 13 . 1 1 6 6 LYS N N 6 127.964 127.964 129.899 -1.935 25973 4898 1 13 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.955 0.283 25973 4899 1 13 . 1 1 6 6 LYS C C 6 174.119 174.119 175.937 -1.818 25973 4900 1 13 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.661 -2.790 25973 4901 1 13 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.896 -2.228 25973 4902 1 13 . 1 1 6 6 LYS H H 6 8.758 8.758 9.349 -0.591 25973 4903 1 13 . 1 1 7 7 THR N N 7 115.618 115.618 118.620 -3.002 25973 4904 1 13 . 1 1 7 7 THR HA H 7 4.912 4.912 5.085 -0.173 25973 4905 1 13 . 1 1 7 7 THR C C 7 173.994 173.994 176.552 -2.558 25973 4906 1 13 . 1 1 7 7 THR CA C 7 57.844 57.844 60.028 -2.184 25973 4907 1 13 . 1 1 7 7 THR CB C 7 68.137 68.137 70.747 -2.610 25973 4908 1 13 . 1 1 7 7 THR H H 7 8.573 8.573 8.224 0.349 25973 4909 1 13 . 1 1 8 8 LEU N N 8 122.083 122.083 120.031 2.052 25973 4910 1 13 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.357 -0.148 25973 4911 1 13 . 1 1 8 8 LEU C C 8 176.005 176.005 177.093 -1.088 25973 4912 1 13 . 1 1 8 8 LEU CA C 8 55.656 55.656 57.431 -1.775 25973 4913 1 13 . 1 1 8 8 LEU CB C 8 39.247 39.247 41.827 -2.580 25973 4914 1 13 . 1 1 8 8 LEU H H 8 9.034 9.034 8.397 0.637 25973 4915 1 13 . 1 1 9 9 THR N N 9 105.803 105.803 107.199 -1.396 25973 4916 1 13 . 1 1 9 9 THR HA H 9 4.503 4.503 4.366 0.137 25973 4917 1 13 . 1 1 9 9 THR C C 9 172.624 172.624 175.209 -2.585 25973 4918 1 13 . 1 1 9 9 THR CA C 9 58.961 58.961 61.221 -2.260 25973 4919 1 13 . 1 1 9 9 THR CB C 9 66.541 66.541 68.249 -1.708 25973 4920 1 13 . 1 1 9 9 THR H H 9 7.582 7.582 7.605 -0.023 25973 4921 1 13 . 1 1 10 10 GLY N N 10 109.254 109.254 111.393 -2.139 25973 4922 1 13 . 1 1 10 10 GLY C C 10 171.405 171.405 173.058 -1.653 25973 4923 1 13 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.202 -2.549 25973 4924 1 13 . 1 1 10 10 GLY H H 10 7.770 7.770 7.691 0.079 25973 4925 1 13 . 1 1 11 11 LYS N N 11 121.278 121.278 123.654 -2.376 25973 4926 1 13 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.370 -0.062 25973 4927 1 13 . 1 1 11 11 LYS C C 11 173.489 173.489 174.738 -1.249 25973 4928 1 13 . 1 1 11 11 LYS CA C 11 53.385 53.385 55.306 -1.921 25973 4929 1 13 . 1 1 11 11 LYS CB C 11 30.172 30.172 34.747 -4.575 25973 4930 1 13 . 1 1 11 11 LYS H H 11 7.313 7.313 8.232 -0.919 25973 4931 1 13 . 1 1 12 12 THR N N 12 120.644 120.644 121.928 -1.284 25973 4932 1 13 . 1 1 12 12 THR HA H 12 4.972 4.972 4.778 0.194 25973 4933 1 13 . 1 1 12 12 THR C C 12 171.547 171.547 174.529 -2.982 25973 4934 1 13 . 1 1 12 12 THR CA C 12 59.880 59.880 62.658 -2.778 25973 4935 1 13 . 1 1 12 12 THR CB C 12 67.386 67.386 68.983 -1.597 25973 4936 1 13 . 1 1 12 12 THR H H 12 8.659 8.659 8.380 0.279 25973 4937 1 13 . 1 1 13 13 ILE N N 13 125.497 125.497 128.648 -3.151 25973 4938 1 13 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.458 0.080 25973 4939 1 13 . 1 1 13 13 ILE C C 13 172.300 172.300 175.481 -3.181 25973 4940 1 13 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.129 -3.015 25973 4941 1 13 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.908 -1.213 25973 4942 1 13 . 1 1 13 13 ILE H H 13 9.169 9.169 8.975 0.194 25973 4943 1 13 . 1 1 14 14 THR N N 14 120.078 120.078 123.566 -3.488 25973 4944 1 13 . 1 1 14 14 THR HA H 14 4.883 4.883 4.903 -0.020 25973 4945 1 13 . 1 1 14 14 THR C C 14 170.915 170.915 173.746 -2.831 25973 4946 1 13 . 1 1 14 14 THR CA C 14 58.998 58.998 61.538 -2.540 25973 4947 1 13 . 1 1 14 14 THR CB C 14 67.221 67.221 69.631 -2.410 25973 4948 1 13 . 1 1 14 14 THR H H 14 8.596 8.596 8.433 0.163 25973 4949 1 13 . 1 1 15 15 LEU N N 15 124.381 124.381 128.320 -3.939 25973 4950 1 13 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.694 0.062 25973 4951 1 13 . 1 1 15 15 LEU C C 15 172.377 172.377 175.541 -3.164 25973 4952 1 13 . 1 1 15 15 LEU CA C 15 50.001 50.001 52.419 -2.418 25973 4953 1 13 . 1 1 15 15 LEU CB C 15 44.121 44.121 44.070 0.051 25973 4954 1 13 . 1 1 15 15 LEU H H 15 8.706 8.706 8.499 0.207 25973 4955 1 13 . 1 1 16 16 GLU N N 16 122.156 122.156 121.551 0.605 25973 4956 1 13 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.557 0.295 25973 4957 1 13 . 1 1 16 16 GLU C C 16 172.785 172.785 174.924 -2.139 25973 4958 1 13 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.276 -3.559 25973 4959 1 13 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.364 -5.132 25973 4960 1 13 . 1 1 16 16 GLU H H 16 8.259 8.259 8.480 -0.221 25973 4961 1 13 . 1 1 17 17 VAL N N 17 115.706 115.706 116.849 -1.143 25973 4962 1 13 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.519 0.114 25973 4963 1 13 . 1 1 17 17 VAL C C 17 171.495 171.495 174.523 -3.028 25973 4964 1 13 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.510 -3.843 25973 4965 1 13 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.582 -1.367 25973 4966 1 13 . 1 1 17 17 VAL H H 17 8.631 8.631 8.186 0.445 25973 4967 1 13 . 1 1 18 18 GLU N N 18 117.702 117.702 122.441 -4.739 25973 4968 1 13 . 1 1 18 18 GLU H H 18 7.705 7.705 8.464 -0.759 25973 4969 1 13 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.444 -0.407 25973 4970 1 13 . 1 1 19 19 PRO C C 19 172.411 172.411 176.164 -3.753 25973 4971 1 13 . 1 1 19 19 PRO CA C 19 62.565 62.565 64.061 -1.496 25973 4972 1 13 . 1 1 19 19 PRO CB C 19 29.354 29.354 31.975 -2.621 25973 4973 1 13 . 1 1 20 20 SER N N 20 104.376 104.376 111.386 -7.010 25973 4974 1 13 . 1 1 20 20 SER HA H 20 4.270 4.270 4.515 -0.245 25973 4975 1 13 . 1 1 20 20 SER C C 20 172.006 172.006 173.628 -1.622 25973 4976 1 13 . 1 1 20 20 SER CA C 20 54.697 54.697 57.270 -2.572 25973 4977 1 13 . 1 1 20 20 SER CB C 20 60.491 60.491 64.498 -4.007 25973 4978 1 13 . 1 1 20 20 SER H H 20 7.127 7.127 7.605 -0.478 25973 4979 1 13 . 1 1 21 21 ASP N N 21 121.646 121.646 122.488 -0.842 25973 4980 1 13 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.876 -0.162 25973 4981 1 13 . 1 1 21 21 ASP C C 21 172.786 172.786 176.066 -3.280 25973 4982 1 13 . 1 1 21 21 ASP CA C 21 51.436 51.436 53.741 -2.305 25973 4983 1 13 . 1 1 21 21 ASP CB C 21 36.288 36.288 43.447 -7.159 25973 4984 1 13 . 1 1 21 21 ASP H H 21 7.890 7.890 7.824 0.066 25973 4985 1 13 . 1 1 22 22 THR N N 22 109.295 109.295 112.695 -3.400 25973 4986 1 13 . 1 1 22 22 THR HA H 22 4.833 4.833 4.500 0.333 25973 4987 1 13 . 1 1 22 22 THR C C 22 173.653 173.653 176.509 -2.856 25973 4988 1 13 . 1 1 22 22 THR CA C 22 57.439 57.439 60.368 -2.929 25973 4989 1 13 . 1 1 22 22 THR CB C 22 68.925 68.925 70.885 -1.960 25973 4990 1 13 . 1 1 22 22 THR H H 22 8.202 8.202 8.537 -0.335 25973 4991 1 13 . 1 1 23 23 ILE N N 23 121.424 121.424 123.289 -1.865 25973 4992 1 13 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.737 -0.141 25973 4993 1 13 . 1 1 23 23 ILE C C 23 176.250 176.250 177.682 -1.432 25973 4994 1 13 . 1 1 23 23 ILE CA C 23 59.208 59.208 63.721 -4.513 25973 4995 1 13 . 1 1 23 23 ILE CB C 23 31.692 31.692 37.540 -5.848 25973 4996 1 13 . 1 1 23 23 ILE H H 23 8.450 8.450 8.630 -0.180 25973 4997 1 13 . 1 1 24 24 GLU N N 24 120.359 120.359 120.353 0.006 25973 4998 1 13 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.929 -0.115 25973 4999 1 13 . 1 1 24 24 GLU C C 24 175.008 175.008 178.916 -3.908 25973 5000 1 13 . 1 1 24 24 GLU CA C 24 56.671 56.671 59.827 -3.156 25973 5001 1 13 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.237 -3.651 25973 5002 1 13 . 1 1 24 24 GLU H H 24 8.802 8.802 8.065 0.737 25973 5003 1 13 . 1 1 25 25 ASN N N 25 119.035 119.035 117.958 1.077 25973 5004 1 13 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.500 -0.107 25973 5005 1 13 . 1 1 25 25 ASN C C 25 175.438 175.438 177.209 -1.771 25973 5006 1 13 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.375 -2.720 25973 5007 1 13 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.367 -2.098 25973 5008 1 13 . 1 1 25 25 ASN H H 25 7.928 7.928 8.056 -0.128 25973 5009 1 13 . 1 1 26 26 ALA N N 26 122.272 122.272 123.249 -0.977 25973 5010 1 13 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.908 -0.097 25973 5011 1 13 . 1 1 26 26 ALA C C 26 176.256 176.256 179.290 -3.034 25973 5012 1 13 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.130 -2.084 25973 5013 1 13 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.356 -5.102 25973 5014 1 13 . 1 1 26 26 ALA H H 26 7.949 7.949 7.601 0.348 25973 5015 1 13 . 1 1 27 27 LYS N N 27 117.069 117.069 118.880 -1.811 25973 5016 1 13 . 1 1 27 27 LYS H H 27 8.469 8.469 7.910 0.559 25973 5017 1 13 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.021 0.048 25973 5018 1 13 . 1 1 28 28 ALA C C 28 177.699 177.699 179.507 -1.808 25973 5019 1 13 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.260 -2.693 25973 5020 1 13 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.287 -3.334 25973 5021 1 13 . 1 1 29 29 LYS N N 29 119.644 119.644 119.036 0.608 25973 5022 1 13 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.972 0.129 25973 5023 1 13 . 1 1 29 29 LYS C C 29 177.487 177.487 179.171 -1.684 25973 5024 1 13 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.739 -2.914 25973 5025 1 13 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.485 -2.263 25973 5026 1 13 . 1 1 29 29 LYS H H 29 7.726 7.726 7.432 0.294 25973 5027 1 13 . 1 1 30 30 ILE N N 30 121.905 121.905 120.132 1.773 25973 5028 1 13 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.641 0.541 25973 5029 1 13 . 1 1 30 30 ILE C C 30 175.724 175.724 177.813 -2.089 25973 5030 1 13 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.073 -1.528 25973 5031 1 13 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.873 -3.668 25973 5032 1 13 . 1 1 30 30 ILE H H 30 8.206 8.206 7.990 0.216 25973 5033 1 13 . 1 1 31 31 GLN N N 31 123.624 123.624 121.068 2.556 25973 5034 1 13 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.090 -0.354 25973 5035 1 13 . 1 1 31 31 GLN C C 31 176.118 176.118 178.377 -2.259 25973 5036 1 13 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.049 -1.951 25973 5037 1 13 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.099 -2.549 25973 5038 1 13 . 1 1 31 31 GLN H H 31 8.597 8.597 8.243 0.354 25973 5039 1 13 . 1 1 32 32 ASP N N 32 118.441 118.441 118.848 -0.407 25973 5040 1 13 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.495 -0.181 25973 5041 1 13 . 1 1 32 32 ASP C C 32 173.568 173.568 177.954 -4.386 25973 5042 1 13 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.446 -3.082 25973 5043 1 13 . 1 1 32 32 ASP CB C 32 35.153 35.153 41.012 -5.859 25973 5044 1 13 . 1 1 32 32 ASP H H 32 7.994 7.994 8.025 -0.031 25973 5045 1 13 . 1 1 33 33 LYS N N 33 115.568 115.568 118.626 -3.058 25973 5046 1 13 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.333 -0.038 25973 5047 1 13 . 1 1 33 33 LYS C C 33 174.935 174.935 177.811 -2.876 25973 5048 1 13 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.719 -2.288 25973 5049 1 13 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.606 -1.793 25973 5050 1 13 . 1 1 33 33 LYS H H 33 7.383 7.383 7.572 -0.189 25973 5051 1 13 . 1 1 34 34 GLU N N 34 113.069 113.069 116.056 -2.987 25973 5052 1 13 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.450 0.169 25973 5053 1 13 . 1 1 34 34 GLU C C 34 174.551 174.551 177.114 -2.563 25973 5054 1 13 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.222 -4.000 25973 5055 1 13 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.734 -1.821 25973 5056 1 13 . 1 1 34 34 GLU H H 34 8.697 8.697 8.330 0.367 25973 5057 1 13 . 1 1 35 35 GLY N N 35 108.734 108.734 109.358 -0.624 25973 5058 1 13 . 1 1 35 35 GLY C C 35 170.888 170.888 174.201 -3.313 25973 5059 1 13 . 1 1 35 35 GLY H H 35 8.564 8.564 8.234 0.330 25973 5060 1 13 . 1 1 36 36 ILE N N 36 116.747 116.747 120.399 -3.652 25973 5061 1 13 . 1 1 36 36 ILE H H 36 6.763 6.763 7.361 -0.598 25973 5062 1 13 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.252 -0.260 25973 5063 1 13 . 1 1 38 38 PRO C C 38 175.657 175.657 178.608 -2.951 25973 5064 1 13 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.651 -1.917 25973 5065 1 13 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.647 -1.488 25973 5066 1 13 . 1 1 39 39 ASP N N 39 113.150 113.150 117.312 -4.162 25973 5067 1 13 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.405 0.000 25973 5068 1 13 . 1 1 39 39 ASP C C 39 173.637 173.637 177.110 -3.473 25973 5069 1 13 . 1 1 39 39 ASP CA C 39 51.963 51.963 57.236 -5.273 25973 5070 1 13 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.169 -5.870 25973 5071 1 13 . 1 1 39 39 ASP H H 39 8.758 8.758 8.660 0.098 25973 5072 1 13 . 1 1 40 40 GLN N N 40 118.365 118.365 116.060 2.305 25973 5073 1 13 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.560 -0.159 25973 5074 1 13 . 1 1 40 40 GLN C C 40 172.173 172.173 174.516 -2.343 25973 5075 1 13 . 1 1 40 40 GLN CA C 40 52.926 52.926 54.815 -1.889 25973 5076 1 13 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.611 -2.188 25973 5077 1 13 . 1 1 40 40 GLN H H 40 7.949 7.949 8.397 -0.448 25973 5078 1 13 . 1 1 41 41 GLN N N 41 117.813 117.813 119.170 -1.357 25973 5079 1 13 . 1 1 41 41 GLN C C 41 172.785 172.785 175.160 -2.375 25973 5080 1 13 . 1 1 41 41 GLN H H 41 7.490 7.490 7.443 0.047 25973 5081 1 13 . 1 1 42 42 ARG N N 42 115.761 115.761 125.051 -9.290 25973 5082 1 13 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.679 -0.252 25973 5083 1 13 . 1 1 42 42 ARG C C 42 171.412 171.412 173.959 -2.547 25973 5084 1 13 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.239 -2.927 25973 5085 1 13 . 1 1 42 42 ARG CB C 42 28.635 28.635 32.729 -4.094 25973 5086 1 13 . 1 1 42 42 ARG H H 42 8.631 8.631 8.396 0.235 25973 5087 1 13 . 1 1 43 43 LEU N N 43 124.185 124.185 126.715 -2.530 25973 5088 1 13 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.949 0.345 25973 5089 1 13 . 1 1 43 43 LEU C C 43 172.374 172.374 176.503 -4.129 25973 5090 1 13 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.596 -3.741 25973 5091 1 13 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.346 -0.232 25973 5092 1 13 . 1 1 43 43 LEU H H 43 8.673 8.673 8.645 0.028 25973 5093 1 13 . 1 1 44 44 ILE N N 44 122.386 122.386 122.576 -0.190 25973 5094 1 13 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.440 0.479 25973 5095 1 13 . 1 1 44 44 ILE C C 44 173.248 173.248 174.401 -1.153 25973 5096 1 13 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.699 -4.272 25973 5097 1 13 . 1 1 44 44 ILE CB C 44 39.130 39.130 42.133 -3.003 25973 5098 1 13 . 1 1 44 44 ILE H H 44 8.970 8.970 8.467 0.503 25973 5099 1 13 . 1 1 45 45 PHE N N 45 125.287 125.287 121.687 3.600 25973 5100 1 13 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.973 -0.018 25973 5101 1 13 . 1 1 45 45 PHE C C 45 171.645 171.645 174.697 -3.052 25973 5102 1 13 . 1 1 45 45 PHE CA C 45 54.395 54.395 56.663 -2.268 25973 5103 1 13 . 1 1 45 45 PHE CB C 45 41.282 41.282 42.109 -0.827 25973 5104 1 13 . 1 1 45 45 PHE H H 45 8.658 8.658 8.333 0.325 25973 5105 1 13 . 1 1 46 46 ALA N N 46 100.596 100.596 122.538 -21.942 25973 5106 1 13 . 1 1 46 46 ALA HA H 46 3.626 3.626 4.019 -0.393 25973 5107 1 13 . 1 1 46 46 ALA C C 46 174.527 174.527 177.721 -3.194 25973 5108 1 13 . 1 1 46 46 ALA CA C 46 49.877 49.877 52.904 -3.027 25973 5109 1 13 . 1 1 46 46 ALA CB C 46 13.867 13.867 18.137 -4.270 25973 5110 1 13 . 1 1 46 46 ALA H H 46 8.687 8.687 6.539 2.148 25973 5111 1 13 . 1 1 47 47 GLY N N 47 102.825 102.825 106.591 -3.766 25973 5112 1 13 . 1 1 47 47 GLY C C 47 171.138 171.138 173.940 -2.802 25973 5113 1 13 . 1 1 47 47 GLY CA C 47 42.658 42.658 43.928 -1.270 25973 5114 1 13 . 1 1 47 47 GLY H H 47 8.193 8.193 7.945 0.248 25973 5115 1 13 . 1 1 48 48 LYS N N 48 121.451 121.451 121.329 0.122 25973 5116 1 13 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.401 0.141 25973 5117 1 13 . 1 1 48 48 LYS C C 48 171.954 171.954 176.875 -4.921 25973 5118 1 13 . 1 1 48 48 LYS CA C 48 51.653 51.653 56.155 -4.502 25973 5119 1 13 . 1 1 48 48 LYS CB C 48 31.761 31.761 32.870 -1.109 25973 5120 1 13 . 1 1 48 48 LYS H H 48 7.888 7.888 7.413 0.475 25973 5121 1 13 . 1 1 49 49 GLN N N 49 121.884 121.884 119.860 2.024 25973 5122 1 13 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.153 0.265 25973 5123 1 13 . 1 1 49 49 GLN C C 49 173.073 173.073 175.839 -2.766 25973 5124 1 13 . 1 1 49 49 GLN CA C 49 52.999 52.999 56.087 -3.088 25973 5125 1 13 . 1 1 49 49 GLN CB C 49 26.041 26.041 29.273 -3.232 25973 5126 1 13 . 1 1 49 49 GLN H H 49 8.521 8.521 7.977 0.544 25973 5127 1 13 . 1 1 50 50 LEU N N 50 125.208 125.208 117.939 7.269 25973 5128 1 13 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.062 -0.116 25973 5129 1 13 . 1 1 50 50 LEU C C 50 173.823 173.823 176.044 -2.221 25973 5130 1 13 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.812 -3.230 25973 5131 1 13 . 1 1 50 50 LEU CB C 50 38.906 38.906 42.077 -3.171 25973 5132 1 13 . 1 1 50 50 LEU H H 50 8.427 8.427 8.201 0.226 25973 5133 1 13 . 1 1 51 51 GLU N N 51 122.400 122.400 120.451 1.949 25973 5134 1 13 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.301 0.123 25973 5135 1 13 . 1 1 51 51 GLU C C 51 173.730 173.730 177.770 -4.040 25973 5136 1 13 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.876 -3.055 25973 5137 1 13 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.598 -3.522 25973 5138 1 13 . 1 1 51 51 GLU H H 51 8.333 8.333 8.416 -0.083 25973 5139 1 13 . 1 1 52 52 ASP N N 52 119.615 119.615 122.220 -2.605 25973 5140 1 13 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.370 -0.111 25973 5141 1 13 . 1 1 52 52 ASP C C 52 173.507 173.507 177.880 -4.373 25973 5142 1 13 . 1 1 52 52 ASP CA C 52 53.536 53.536 56.437 -2.901 25973 5143 1 13 . 1 1 52 52 ASP CB C 52 36.441 36.441 40.469 -4.028 25973 5144 1 13 . 1 1 52 52 ASP H H 52 8.490 8.490 8.758 -0.268 25973 5145 1 13 . 1 1 53 53 GLY N N 53 104.158 104.158 106.372 -2.214 25973 5146 1 13 . 1 1 53 53 GLY C C 53 172.296 172.296 174.967 -2.671 25973 5147 1 13 . 1 1 53 53 GLY CA C 53 42.633 42.633 45.904 -3.271 25973 5148 1 13 . 1 1 53 53 GLY H H 53 8.622 8.622 8.452 0.170 25973 5149 1 13 . 1 1 54 54 ARG N N 54 119.010 119.010 120.063 -1.053 25973 5150 1 13 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.728 -0.260 25973 5151 1 13 . 1 1 54 54 ARG C C 54 172.237 172.237 175.494 -3.257 25973 5152 1 13 . 1 1 54 54 ARG CA C 54 51.747 51.747 54.690 -2.943 25973 5153 1 13 . 1 1 54 54 ARG CB C 54 29.572 29.572 32.509 -2.937 25973 5154 1 13 . 1 1 54 54 ARG H H 54 7.397 7.397 7.889 -0.492 25973 5155 1 13 . 1 1 55 55 THR N N 55 106.762 106.762 112.450 -5.688 25973 5156 1 13 . 1 1 55 55 THR HA H 55 4.545 4.545 4.584 -0.039 25973 5157 1 13 . 1 1 55 55 THR C C 55 173.492 173.492 175.547 -2.055 25973 5158 1 13 . 1 1 55 55 THR CA C 55 57.122 57.122 60.694 -3.572 25973 5159 1 13 . 1 1 55 55 THR CB C 55 69.087 69.087 70.404 -1.317 25973 5160 1 13 . 1 1 55 55 THR H H 55 7.536 7.536 8.094 -0.558 25973 5161 1 13 . 1 1 56 56 LEU N N 56 119.096 119.096 120.434 -1.338 25973 5162 1 13 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.162 -0.200 25973 5163 1 13 . 1 1 56 56 LEU C C 56 178.169 178.169 179.417 -1.248 25973 5164 1 13 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.106 -0.830 25973 5165 1 13 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.784 -4.539 25973 5166 1 13 . 1 1 56 56 LEU H H 56 8.258 8.258 8.296 -0.038 25973 5167 1 13 . 1 1 57 57 SER N N 57 113.389 113.389 114.994 -1.605 25973 5168 1 13 . 1 1 57 57 SER HA H 57 4.180 4.180 4.184 -0.004 25973 5169 1 13 . 1 1 57 57 SER C C 57 175.491 175.491 176.388 -0.897 25973 5170 1 13 . 1 1 57 57 SER CA C 57 57.967 57.967 61.140 -3.173 25973 5171 1 13 . 1 1 57 57 SER CB C 57 59.730 59.730 62.444 -2.713 25973 5172 1 13 . 1 1 57 57 SER H H 57 8.484 8.484 8.302 0.182 25973 5173 1 13 . 1 1 58 58 ASP N N 58 122.795 122.795 121.330 1.465 25973 5174 1 13 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.478 -0.204 25973 5175 1 13 . 1 1 58 58 ASP C C 58 173.529 173.529 176.891 -3.362 25973 5176 1 13 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.325 -3.506 25973 5177 1 13 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.464 -5.804 25973 5178 1 13 . 1 1 58 58 ASP H H 58 7.893 7.893 8.217 -0.324 25973 5179 1 13 . 1 1 59 59 TYR N N 59 116.135 116.135 118.038 -1.903 25973 5180 1 13 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.423 0.200 25973 5181 1 13 . 1 1 59 59 TYR C C 59 171.756 171.756 174.630 -2.874 25973 5182 1 13 . 1 1 59 59 TYR CA C 59 55.546 55.546 58.989 -3.443 25973 5183 1 13 . 1 1 59 59 TYR CB C 59 37.146 37.146 39.198 -2.052 25973 5184 1 13 . 1 1 59 59 TYR H H 59 7.243 7.243 7.583 -0.340 25973 5185 1 13 . 1 1 60 60 ASN N N 60 115.660 115.660 116.150 -0.490 25973 5186 1 13 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.301 -0.020 25973 5187 1 13 . 1 1 60 60 ASN C C 60 171.419 171.419 174.625 -3.206 25973 5188 1 13 . 1 1 60 60 ASN CA C 60 51.470 51.470 54.119 -2.649 25973 5189 1 13 . 1 1 60 60 ASN CB C 60 34.647 34.647 35.746 -1.099 25973 5190 1 13 . 1 1 60 60 ASN H H 60 8.108 8.108 8.197 -0.089 25973 5191 1 13 . 1 1 61 61 ILE N N 61 118.591 118.591 119.506 -0.915 25973 5192 1 13 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.714 -0.455 25973 5193 1 13 . 1 1 61 61 ILE C C 61 171.673 171.673 176.110 -4.437 25973 5194 1 13 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.730 -2.993 25973 5195 1 13 . 1 1 61 61 ILE CB C 61 34.117 34.117 37.812 -3.695 25973 5196 1 13 . 1 1 61 61 ILE H H 61 7.031 7.031 8.178 -1.147 25973 5197 1 13 . 1 1 62 62 GLN N N 62 125.176 125.176 126.849 -1.673 25973 5198 1 13 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.479 -0.011 25973 5199 1 13 . 1 1 62 62 GLN C C 62 172.907 172.907 175.613 -2.706 25973 5200 1 13 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.843 -3.896 25973 5201 1 13 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.212 -0.912 25973 5202 1 13 . 1 1 62 62 GLN H H 62 7.645 7.645 8.408 -0.763 25973 5203 1 13 . 1 1 63 63 LYS N N 63 120.040 120.040 120.958 -0.918 25973 5204 1 13 . 1 1 63 63 LYS HA H 63 3.910 3.910 3.951 -0.041 25973 5205 1 13 . 1 1 63 63 LYS C C 63 173.589 173.589 176.668 -3.079 25973 5206 1 13 . 1 1 63 63 LYS CA C 63 55.292 55.292 57.170 -1.879 25973 5207 1 13 . 1 1 63 63 LYS CB C 63 29.920 29.920 32.468 -2.548 25973 5208 1 13 . 1 1 63 63 LYS H H 63 8.416 8.416 8.439 -0.023 25973 5209 1 13 . 1 1 64 64 GLU N N 64 113.699 113.699 115.050 -1.351 25973 5210 1 13 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.188 -0.672 25973 5211 1 13 . 1 1 64 64 GLU C C 64 172.267 172.267 175.225 -2.958 25973 5212 1 13 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.902 -3.187 25973 5213 1 13 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.159 -5.358 25973 5214 1 13 . 1 1 64 64 GLU H H 64 9.180 9.180 8.381 0.799 25973 5215 1 13 . 1 1 65 65 SER N N 65 115.564 115.564 113.613 1.951 25973 5216 1 13 . 1 1 65 65 SER HA H 65 4.531 4.531 4.747 -0.216 25973 5217 1 13 . 1 1 65 65 SER C C 65 169.375 169.375 174.605 -5.230 25973 5218 1 13 . 1 1 65 65 SER CA C 65 58.422 58.422 57.694 0.728 25973 5219 1 13 . 1 1 65 65 SER CB C 65 62.153 62.153 65.103 -2.950 25973 5220 1 13 . 1 1 65 65 SER H H 65 7.818 7.818 7.940 -0.122 25973 5221 1 13 . 1 1 66 66 THR N N 66 117.311 117.311 121.968 -4.657 25973 5222 1 13 . 1 1 66 66 THR HA H 66 5.106 5.106 4.714 0.392 25973 5223 1 13 . 1 1 66 66 THR C C 66 171.057 171.057 174.217 -3.160 25973 5224 1 13 . 1 1 66 66 THR CA C 66 59.814 59.814 62.929 -3.115 25973 5225 1 13 . 1 1 66 66 THR CB C 66 67.491 67.491 68.950 -1.459 25973 5226 1 13 . 1 1 66 66 THR H H 66 8.704 8.704 8.702 0.002 25973 5227 1 13 . 1 1 67 67 LEU N N 67 127.157 127.157 129.145 -1.988 25973 5228 1 13 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.649 0.302 25973 5229 1 13 . 1 1 67 67 LEU C C 67 173.090 173.090 175.720 -2.630 25973 5230 1 13 . 1 1 67 67 LEU CA C 67 51.708 51.708 53.941 -2.233 25973 5231 1 13 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.803 -3.412 25973 5232 1 13 . 1 1 67 67 LEU H H 67 9.318 9.318 8.935 0.383 25973 5233 1 13 . 1 1 68 68 HIS N N 68 118.227 118.227 121.211 -2.984 25973 5234 1 13 . 1 1 68 68 HIS HA H 68 5.170 5.170 5.091 0.079 25973 5235 1 13 . 1 1 68 68 HIS C C 68 170.031 170.031 174.680 -4.649 25973 5236 1 13 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.635 -3.571 25973 5237 1 13 . 1 1 68 68 HIS CB C 68 27.536 27.536 29.791 -2.255 25973 5238 1 13 . 1 1 68 68 HIS H H 68 9.141 9.141 8.869 0.272 25973 5239 1 13 . 1 1 69 69 LEU N N 69 124.847 124.847 128.385 -3.538 25973 5240 1 13 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.064 0.044 25973 5241 1 13 . 1 1 69 69 LEU C C 69 172.304 172.304 175.053 -2.749 25973 5242 1 13 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.820 -2.174 25973 5243 1 13 . 1 1 69 69 LEU CB C 69 41.603 41.603 43.109 -1.506 25973 5244 1 13 . 1 1 69 69 LEU H H 69 8.332 8.332 8.874 -0.542 25973 5245 1 13 . 1 1 70 70 VAL N N 70 128.173 128.173 128.021 0.152 25973 5246 1 13 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.445 0.005 25973 5247 1 13 . 1 1 70 70 VAL C C 70 177.746 177.746 174.292 3.454 25973 5248 1 13 . 1 1 70 70 VAL CA C 70 58.395 58.395 60.887 -2.492 25973 5249 1 13 . 1 1 70 70 VAL CB C 70 31.198 31.198 35.729 -4.531 25973 5250 1 13 . 1 1 70 70 VAL H H 70 9.159 9.159 9.139 0.020 25973 5251 1 13 . 1 1 71 71 LEU N N 71 124.557 124.557 124.298 0.259 25973 5252 1 13 . 1 1 71 71 LEU HA H 71 4.922 4.922 4.898 0.024 25973 5253 1 13 . 1 1 71 71 LEU C C 71 174.917 174.917 176.631 -1.714 25973 5254 1 13 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.779 -1.949 25973 5255 1 13 . 1 1 71 71 LEU CB C 71 39.997 39.997 42.507 -2.510 25973 5256 1 13 . 1 1 71 71 LEU H H 71 8.273 8.273 8.332 -0.059 25973 5257 1 13 . 1 1 72 72 ARG N N 72 123.440 123.440 125.190 -1.750 25973 5258 1 13 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.571 -0.322 25973 5259 1 13 . 1 1 72 72 ARG C C 72 172.657 172.657 175.215 -2.558 25973 5260 1 13 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.821 -3.075 25973 5261 1 13 . 1 1 72 72 ARG CB C 72 28.058 28.058 31.296 -3.237 25973 5262 1 13 . 1 1 72 72 ARG H H 72 8.532 8.532 8.548 -0.016 25973 5263 1 13 . 1 1 73 73 LEU N N 73 124.189 124.189 122.785 1.404 25973 5264 1 13 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.385 -0.114 25973 5265 1 13 . 1 1 73 73 LEU C C 73 174.691 174.691 175.940 -1.249 25973 5266 1 13 . 1 1 73 73 LEU CA C 73 52.361 52.361 54.973 -2.612 25973 5267 1 13 . 1 1 73 73 LEU CB C 73 39.708 39.708 44.611 -4.903 25973 5268 1 13 . 1 1 73 73 LEU H H 73 8.289 8.289 8.504 -0.215 25973 5269 1 13 . 1 1 74 74 ARG N N 74 121.162 121.162 123.840 -2.678 25973 5270 1 13 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.726 -0.479 25973 5271 1 13 . 1 1 74 74 ARG C C 74 173.901 173.901 176.090 -2.189 25973 5272 1 13 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.834 -2.209 25973 5273 1 13 . 1 1 74 74 ARG CB C 74 28.134 28.134 31.133 -2.999 25973 5274 1 13 . 1 1 74 74 ARG H H 74 8.268 8.268 8.505 -0.237 25973 5275 1 13 . 1 1 75 75 GLY N N 75 110.230 110.230 110.419 -0.189 25973 5276 1 13 . 1 1 75 75 GLY C C 75 171.504 171.504 174.265 -2.761 25973 5277 1 13 . 1 1 75 75 GLY CA C 75 42.404 42.404 45.103 -2.699 25973 5278 1 13 . 1 1 75 75 GLY H H 75 8.367 8.367 8.479 -0.112 25973 5279 1 14 . 1 1 2 2 GLN N N 2 124.960 124.960 120.402 4.558 25973 5280 1 14 . 1 1 2 2 GLN HA H 2 5.089 5.089 5.190 -0.101 25973 5281 1 14 . 1 1 2 2 GLN C C 2 172.479 172.479 173.322 -0.843 25973 5282 1 14 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.192 -1.872 25973 5283 1 14 . 1 1 2 2 GLN CB C 2 28.181 28.181 33.131 -4.950 25973 5284 1 14 . 1 1 2 2 GLN H H 2 8.807 8.807 8.067 0.740 25973 5285 1 14 . 1 1 3 3 ILE N N 3 116.556 116.556 114.255 2.301 25973 5286 1 14 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.385 -0.207 25973 5287 1 14 . 1 1 3 3 ILE C C 3 169.813 169.813 173.450 -3.637 25973 5288 1 14 . 1 1 3 3 ILE CA C 3 56.621 56.621 60.222 -3.601 25973 5289 1 14 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.719 -2.614 25973 5290 1 14 . 1 1 3 3 ILE H H 3 8.237 8.237 8.647 -0.410 25973 5291 1 14 . 1 1 4 4 PHE N N 4 118.417 118.417 120.448 -2.031 25973 5292 1 14 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.549 -0.050 25973 5293 1 14 . 1 1 4 4 PHE C C 4 172.505 172.505 175.557 -3.052 25973 5294 1 14 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.233 -3.409 25973 5295 1 14 . 1 1 4 4 PHE CB C 4 38.890 38.890 41.934 -3.044 25973 5296 1 14 . 1 1 4 4 PHE H H 4 8.675 8.675 8.724 -0.049 25973 5297 1 14 . 1 1 5 5 VAL N N 5 120.755 120.755 122.276 -1.521 25973 5298 1 14 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.542 0.045 25973 5299 1 14 . 1 1 5 5 VAL C C 5 172.070 172.070 174.277 -2.207 25973 5300 1 14 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.557 -3.437 25973 5301 1 14 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.730 -2.682 25973 5302 1 14 . 1 1 5 5 VAL H H 5 9.190 9.190 9.168 0.022 25973 5303 1 14 . 1 1 6 6 LYS N N 6 127.964 127.964 128.540 -0.576 25973 5304 1 14 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.878 0.360 25973 5305 1 14 . 1 1 6 6 LYS C C 6 174.119 174.119 175.683 -1.564 25973 5306 1 14 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.711 -2.840 25973 5307 1 14 . 1 1 6 6 LYS CB C 6 32.668 32.668 35.656 -2.988 25973 5308 1 14 . 1 1 6 6 LYS H H 6 8.758 8.758 9.245 -0.487 25973 5309 1 14 . 1 1 7 7 THR N N 7 115.618 115.618 117.117 -1.499 25973 5310 1 14 . 1 1 7 7 THR HA H 7 4.912 4.912 5.065 -0.153 25973 5311 1 14 . 1 1 7 7 THR C C 7 173.994 173.994 176.761 -2.767 25973 5312 1 14 . 1 1 7 7 THR CA C 7 57.844 57.844 59.434 -1.589 25973 5313 1 14 . 1 1 7 7 THR CB C 7 68.137 68.137 71.220 -3.083 25973 5314 1 14 . 1 1 7 7 THR H H 7 8.573 8.573 8.571 0.002 25973 5315 1 14 . 1 1 8 8 LEU N N 8 122.083 122.083 120.750 1.333 25973 5316 1 14 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.282 -0.073 25973 5317 1 14 . 1 1 8 8 LEU C C 8 176.005 176.005 178.372 -2.367 25973 5318 1 14 . 1 1 8 8 LEU CA C 8 55.656 55.656 57.275 -1.619 25973 5319 1 14 . 1 1 8 8 LEU CB C 8 39.247 39.247 42.461 -3.214 25973 5320 1 14 . 1 1 8 8 LEU H H 8 9.034 9.034 8.781 0.253 25973 5321 1 14 . 1 1 9 9 THR N N 9 105.803 105.803 108.194 -2.391 25973 5322 1 14 . 1 1 9 9 THR HA H 9 4.503 4.503 4.439 0.064 25973 5323 1 14 . 1 1 9 9 THR C C 9 172.624 172.624 175.424 -2.800 25973 5324 1 14 . 1 1 9 9 THR CA C 9 58.961 58.961 61.167 -2.206 25973 5325 1 14 . 1 1 9 9 THR CB C 9 66.541 66.541 69.999 -3.458 25973 5326 1 14 . 1 1 9 9 THR H H 9 7.582 7.582 7.740 -0.158 25973 5327 1 14 . 1 1 10 10 GLY N N 10 109.254 109.254 111.100 -1.846 25973 5328 1 14 . 1 1 10 10 GLY C C 10 171.405 171.405 173.345 -1.940 25973 5329 1 14 . 1 1 10 10 GLY CA C 10 42.653 42.653 44.753 -2.100 25973 5330 1 14 . 1 1 10 10 GLY H H 10 7.770 7.770 7.423 0.347 25973 5331 1 14 . 1 1 11 11 LYS N N 11 121.278 121.278 122.970 -1.692 25973 5332 1 14 . 1 1 11 11 LYS HA H 11 4.308 4.308 3.906 0.402 25973 5333 1 14 . 1 1 11 11 LYS C C 11 173.489 173.489 174.985 -1.496 25973 5334 1 14 . 1 1 11 11 LYS CA C 11 53.385 53.385 56.536 -3.151 25973 5335 1 14 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.138 -1.966 25973 5336 1 14 . 1 1 11 11 LYS H H 11 7.313 7.313 8.439 -1.126 25973 5337 1 14 . 1 1 12 12 THR N N 12 120.644 120.644 117.418 3.226 25973 5338 1 14 . 1 1 12 12 THR HA H 12 4.972 4.972 4.679 0.293 25973 5339 1 14 . 1 1 12 12 THR C C 12 171.547 171.547 175.004 -3.457 25973 5340 1 14 . 1 1 12 12 THR CA C 12 59.880 59.880 62.547 -2.667 25973 5341 1 14 . 1 1 12 12 THR CB C 12 67.386 67.386 69.300 -1.914 25973 5342 1 14 . 1 1 12 12 THR H H 12 8.659 8.659 7.971 0.688 25973 5343 1 14 . 1 1 13 13 ILE N N 13 125.497 125.497 127.759 -2.262 25973 5344 1 14 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.517 0.021 25973 5345 1 14 . 1 1 13 13 ILE C C 13 172.300 172.300 175.380 -3.080 25973 5346 1 14 . 1 1 13 13 ILE CA C 13 57.114 57.114 59.868 -2.755 25973 5347 1 14 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.926 -1.231 25973 5348 1 14 . 1 1 13 13 ILE H H 13 9.169 9.169 8.881 0.288 25973 5349 1 14 . 1 1 14 14 THR N N 14 120.078 120.078 121.205 -1.127 25973 5350 1 14 . 1 1 14 14 THR HA H 14 4.883 4.883 5.021 -0.138 25973 5351 1 14 . 1 1 14 14 THR C C 14 170.915 170.915 173.843 -2.928 25973 5352 1 14 . 1 1 14 14 THR CA C 14 58.998 58.998 61.933 -2.935 25973 5353 1 14 . 1 1 14 14 THR CB C 14 67.221 67.221 69.528 -2.307 25973 5354 1 14 . 1 1 14 14 THR H H 14 8.596 8.596 8.431 0.165 25973 5355 1 14 . 1 1 15 15 LEU N N 15 124.381 124.381 128.321 -3.940 25973 5356 1 14 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.680 0.076 25973 5357 1 14 . 1 1 15 15 LEU C C 15 172.377 172.377 175.035 -2.658 25973 5358 1 14 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.272 -3.271 25973 5359 1 14 . 1 1 15 15 LEU CB C 15 44.121 44.121 46.072 -1.951 25973 5360 1 14 . 1 1 15 15 LEU H H 15 8.706 8.706 8.829 -0.123 25973 5361 1 14 . 1 1 16 16 GLU N N 16 122.156 122.156 122.133 0.023 25973 5362 1 14 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.796 0.056 25973 5363 1 14 . 1 1 16 16 GLU C C 16 172.785 172.785 175.826 -3.041 25973 5364 1 14 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.442 -3.725 25973 5365 1 14 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.473 -5.241 25973 5366 1 14 . 1 1 16 16 GLU H H 16 8.259 8.259 8.624 -0.365 25973 5367 1 14 . 1 1 17 17 VAL N N 17 115.706 115.706 119.089 -3.383 25973 5368 1 14 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.429 0.204 25973 5369 1 14 . 1 1 17 17 VAL C C 17 171.495 171.495 174.225 -2.730 25973 5370 1 14 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.808 -4.141 25973 5371 1 14 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.428 -1.212 25973 5372 1 14 . 1 1 17 17 VAL H H 17 8.631 8.631 7.958 0.673 25973 5373 1 14 . 1 1 18 18 GLU N N 18 117.702 117.702 119.558 -1.856 25973 5374 1 14 . 1 1 18 18 GLU H H 18 7.705 7.705 8.298 -0.593 25973 5375 1 14 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.471 -0.434 25973 5376 1 14 . 1 1 19 19 PRO C C 19 172.411 172.411 176.140 -3.729 25973 5377 1 14 . 1 1 19 19 PRO CA C 19 62.565 62.565 63.957 -1.392 25973 5378 1 14 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.079 -2.725 25973 5379 1 14 . 1 1 20 20 SER N N 20 104.376 104.376 111.750 -7.374 25973 5380 1 14 . 1 1 20 20 SER HA H 20 4.270 4.270 4.506 -0.236 25973 5381 1 14 . 1 1 20 20 SER C C 20 172.006 172.006 173.976 -1.970 25973 5382 1 14 . 1 1 20 20 SER CA C 20 54.697 54.697 57.598 -2.901 25973 5383 1 14 . 1 1 20 20 SER CB C 20 60.491 60.491 64.312 -3.821 25973 5384 1 14 . 1 1 20 20 SER H H 20 7.127 7.127 7.635 -0.508 25973 5385 1 14 . 1 1 21 21 ASP N N 21 121.646 121.646 124.054 -2.408 25973 5386 1 14 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.797 -0.083 25973 5387 1 14 . 1 1 21 21 ASP C C 21 172.786 172.786 175.634 -2.848 25973 5388 1 14 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.275 -2.839 25973 5389 1 14 . 1 1 21 21 ASP CB C 21 36.288 36.288 42.754 -6.466 25973 5390 1 14 . 1 1 21 21 ASP H H 21 7.890 7.890 7.837 0.053 25973 5391 1 14 . 1 1 22 22 THR N N 22 109.295 109.295 111.992 -2.697 25973 5392 1 14 . 1 1 22 22 THR HA H 22 4.833 4.833 4.451 0.382 25973 5393 1 14 . 1 1 22 22 THR C C 22 173.653 173.653 176.158 -2.505 25973 5394 1 14 . 1 1 22 22 THR CA C 22 57.439 57.439 60.349 -2.910 25973 5395 1 14 . 1 1 22 22 THR CB C 22 68.925 68.925 70.607 -1.682 25973 5396 1 14 . 1 1 22 22 THR H H 22 8.202 8.202 8.060 0.142 25973 5397 1 14 . 1 1 23 23 ILE N N 23 121.424 121.424 120.318 1.106 25973 5398 1 14 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.889 -0.293 25973 5399 1 14 . 1 1 23 23 ILE C C 23 176.250 176.250 177.455 -1.205 25973 5400 1 14 . 1 1 23 23 ILE CA C 23 59.208 59.208 62.518 -3.310 25973 5401 1 14 . 1 1 23 23 ILE CB C 23 31.692 31.692 36.534 -4.842 25973 5402 1 14 . 1 1 23 23 ILE H H 23 8.450 8.450 8.595 -0.145 25973 5403 1 14 . 1 1 24 24 GLU N N 24 120.359 120.359 120.728 -0.369 25973 5404 1 14 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.981 -0.167 25973 5405 1 14 . 1 1 24 24 GLU C C 24 175.008 175.008 179.347 -4.339 25973 5406 1 14 . 1 1 24 24 GLU CA C 24 56.671 56.671 60.194 -3.523 25973 5407 1 14 . 1 1 24 24 GLU CB C 24 25.586 25.586 28.831 -3.244 25973 5408 1 14 . 1 1 24 24 GLU H H 24 8.802 8.802 8.740 0.062 25973 5409 1 14 . 1 1 25 25 ASN N N 25 119.035 119.035 117.776 1.259 25973 5410 1 14 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.497 -0.104 25973 5411 1 14 . 1 1 25 25 ASN C C 25 175.438 175.438 177.386 -1.948 25973 5412 1 14 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.165 -2.510 25973 5413 1 14 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.615 -2.346 25973 5414 1 14 . 1 1 25 25 ASN H H 25 7.928 7.928 7.643 0.285 25973 5415 1 14 . 1 1 26 26 ALA N N 26 122.272 122.272 122.959 -0.687 25973 5416 1 14 . 1 1 26 26 ALA HA H 26 3.811 3.811 4.034 -0.223 25973 5417 1 14 . 1 1 26 26 ALA C C 26 176.256 176.256 179.356 -3.100 25973 5418 1 14 . 1 1 26 26 ALA CA C 26 53.046 53.046 54.903 -1.857 25973 5419 1 14 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.596 -5.342 25973 5420 1 14 . 1 1 26 26 ALA H H 26 7.949 7.949 7.421 0.528 25973 5421 1 14 . 1 1 27 27 LYS N N 27 117.069 117.069 119.147 -2.078 25973 5422 1 14 . 1 1 27 27 LYS H H 27 8.469 8.469 8.394 0.075 25973 5423 1 14 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.067 0.002 25973 5424 1 14 . 1 1 28 28 ALA C C 28 177.699 177.699 179.304 -1.605 25973 5425 1 14 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.053 -2.486 25973 5426 1 14 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.279 -3.326 25973 5427 1 14 . 1 1 29 29 LYS N N 29 119.644 119.644 119.268 0.376 25973 5428 1 14 . 1 1 29 29 LYS HA H 29 4.101 4.101 4.022 0.079 25973 5429 1 14 . 1 1 29 29 LYS C C 29 177.487 177.487 178.995 -1.508 25973 5430 1 14 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.309 -2.485 25973 5431 1 14 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.435 -2.213 25973 5432 1 14 . 1 1 29 29 LYS H H 29 7.726 7.726 7.351 0.375 25973 5433 1 14 . 1 1 30 30 ILE N N 30 121.905 121.905 119.795 2.110 25973 5434 1 14 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.680 0.502 25973 5435 1 14 . 1 1 30 30 ILE C C 30 175.724 175.724 177.420 -1.696 25973 5436 1 14 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.519 -1.974 25973 5437 1 14 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.981 -3.776 25973 5438 1 14 . 1 1 30 30 ILE H H 30 8.206 8.206 7.575 0.631 25973 5439 1 14 . 1 1 31 31 GLN N N 31 123.624 123.624 121.047 2.577 25973 5440 1 14 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.114 -0.378 25973 5441 1 14 . 1 1 31 31 GLN C C 31 176.118 176.118 177.631 -1.513 25973 5442 1 14 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.264 -2.166 25973 5443 1 14 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.592 -3.042 25973 5444 1 14 . 1 1 31 31 GLN H H 31 8.597 8.597 8.067 0.530 25973 5445 1 14 . 1 1 32 32 ASP N N 32 118.441 118.441 118.350 0.091 25973 5446 1 14 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.485 -0.171 25973 5447 1 14 . 1 1 32 32 ASP C C 32 173.568 173.568 178.189 -4.621 25973 5448 1 14 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.550 -3.186 25973 5449 1 14 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.739 -5.586 25973 5450 1 14 . 1 1 32 32 ASP H H 32 7.994 7.994 7.814 0.180 25973 5451 1 14 . 1 1 33 33 LYS N N 33 115.568 115.568 118.917 -3.349 25973 5452 1 14 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.306 -0.011 25973 5453 1 14 . 1 1 33 33 LYS C C 33 174.935 174.935 177.966 -3.031 25973 5454 1 14 . 1 1 33 33 LYS CA C 33 55.431 55.431 58.012 -2.581 25973 5455 1 14 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.419 -1.606 25973 5456 1 14 . 1 1 33 33 LYS H H 33 7.383 7.383 7.581 -0.198 25973 5457 1 14 . 1 1 34 34 GLU N N 34 113.069 113.069 116.149 -3.080 25973 5458 1 14 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.428 0.191 25973 5459 1 14 . 1 1 34 34 GLU C C 34 174.551 174.551 177.473 -2.922 25973 5460 1 14 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.019 -3.797 25973 5461 1 14 . 1 1 34 34 GLU CB C 34 28.913 28.913 29.968 -1.055 25973 5462 1 14 . 1 1 34 34 GLU H H 34 8.697 8.697 8.472 0.225 25973 5463 1 14 . 1 1 35 35 GLY N N 35 108.734 108.734 109.049 -0.315 25973 5464 1 14 . 1 1 35 35 GLY C C 35 170.888 170.888 174.293 -3.405 25973 5465 1 14 . 1 1 35 35 GLY H H 35 8.564 8.564 8.007 0.557 25973 5466 1 14 . 1 1 36 36 ILE N N 36 116.747 116.747 120.752 -4.005 25973 5467 1 14 . 1 1 36 36 ILE H H 36 6.763 6.763 7.375 -0.612 25973 5468 1 14 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.316 -0.324 25973 5469 1 14 . 1 1 38 38 PRO C C 38 175.657 175.657 177.878 -2.221 25973 5470 1 14 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.048 -1.314 25973 5471 1 14 . 1 1 38 38 PRO CB C 38 30.159 30.159 32.205 -2.046 25973 5472 1 14 . 1 1 39 39 ASP N N 39 113.150 113.150 117.424 -4.274 25973 5473 1 14 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.413 -0.008 25973 5474 1 14 . 1 1 39 39 ASP C C 39 173.637 173.637 177.074 -3.437 25973 5475 1 14 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.003 -4.040 25973 5476 1 14 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.211 -5.912 25973 5477 1 14 . 1 1 39 39 ASP H H 39 8.758 8.758 8.302 0.456 25973 5478 1 14 . 1 1 40 40 GLN N N 40 118.365 118.365 117.338 1.027 25973 5479 1 14 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.332 0.069 25973 5480 1 14 . 1 1 40 40 GLN C C 40 172.173 172.173 175.211 -3.038 25973 5481 1 14 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.763 -2.837 25973 5482 1 14 . 1 1 40 40 GLN CB C 40 27.423 27.423 28.412 -0.989 25973 5483 1 14 . 1 1 40 40 GLN H H 40 7.949 7.949 8.122 -0.173 25973 5484 1 14 . 1 1 41 41 GLN N N 41 117.813 117.813 119.175 -1.362 25973 5485 1 14 . 1 1 41 41 GLN C C 41 172.785 172.785 174.848 -2.063 25973 5486 1 14 . 1 1 41 41 GLN H H 41 7.490 7.490 7.276 0.214 25973 5487 1 14 . 1 1 42 42 ARG N N 42 115.761 115.761 123.835 -8.074 25973 5488 1 14 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.667 -0.240 25973 5489 1 14 . 1 1 42 42 ARG C C 42 171.412 171.412 173.972 -2.560 25973 5490 1 14 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.081 -2.769 25973 5491 1 14 . 1 1 42 42 ARG CB C 42 28.635 28.635 32.880 -4.245 25973 5492 1 14 . 1 1 42 42 ARG H H 42 8.631 8.631 8.319 0.312 25973 5493 1 14 . 1 1 43 43 LEU N N 43 124.185 124.185 127.210 -3.025 25973 5494 1 14 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.800 0.494 25973 5495 1 14 . 1 1 43 43 LEU C C 43 172.374 172.374 176.350 -3.976 25973 5496 1 14 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.756 -3.902 25973 5497 1 14 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.223 -0.109 25973 5498 1 14 . 1 1 43 43 LEU H H 43 8.673 8.673 8.652 0.021 25973 5499 1 14 . 1 1 44 44 ILE N N 44 122.386 122.386 125.586 -3.200 25973 5500 1 14 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.519 0.400 25973 5501 1 14 . 1 1 44 44 ILE C C 44 173.248 173.248 174.197 -0.949 25973 5502 1 14 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.804 -4.377 25973 5503 1 14 . 1 1 44 44 ILE CB C 44 39.130 39.130 42.365 -3.235 25973 5504 1 14 . 1 1 44 44 ILE H H 44 8.970 8.970 8.289 0.681 25973 5505 1 14 . 1 1 45 45 PHE N N 45 125.287 125.287 121.903 3.384 25973 5506 1 14 . 1 1 45 45 PHE HA H 45 4.955 4.955 5.049 -0.094 25973 5507 1 14 . 1 1 45 45 PHE C C 45 171.645 171.645 174.589 -2.944 25973 5508 1 14 . 1 1 45 45 PHE CA C 45 54.395 54.395 56.371 -1.976 25973 5509 1 14 . 1 1 45 45 PHE CB C 45 41.282 41.282 42.372 -1.090 25973 5510 1 14 . 1 1 45 45 PHE H H 45 8.658 8.658 8.333 0.325 25973 5511 1 14 . 1 1 46 46 ALA N N 46 100.596 100.596 122.311 -21.715 25973 5512 1 14 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.803 -0.177 25973 5513 1 14 . 1 1 46 46 ALA C C 46 174.527 174.527 178.180 -3.653 25973 5514 1 14 . 1 1 46 46 ALA CA C 46 49.877 49.877 53.243 -3.366 25973 5515 1 14 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.991 -4.123 25973 5516 1 14 . 1 1 46 46 ALA H H 46 8.687 8.687 6.362 2.325 25973 5517 1 14 . 1 1 47 47 GLY N N 47 102.825 102.825 104.837 -2.012 25973 5518 1 14 . 1 1 47 47 GLY C C 47 171.138 171.138 173.737 -2.599 25973 5519 1 14 . 1 1 47 47 GLY CA C 47 42.658 42.658 43.394 -0.736 25973 5520 1 14 . 1 1 47 47 GLY H H 47 8.193 8.193 8.167 0.026 25973 5521 1 14 . 1 1 48 48 LYS N N 48 121.451 121.451 118.823 2.628 25973 5522 1 14 . 1 1 48 48 LYS HA H 48 4.542 4.542 3.903 0.639 25973 5523 1 14 . 1 1 48 48 LYS C C 48 171.954 171.954 176.067 -4.113 25973 5524 1 14 . 1 1 48 48 LYS CA C 48 51.653 51.653 56.979 -5.326 25973 5525 1 14 . 1 1 48 48 LYS CB C 48 31.761 31.761 31.050 0.711 25973 5526 1 14 . 1 1 48 48 LYS H H 48 7.888 7.888 7.107 0.781 25973 5527 1 14 . 1 1 49 49 GLN N N 49 121.884 121.884 123.810 -1.926 25973 5528 1 14 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.492 -0.074 25973 5529 1 14 . 1 1 49 49 GLN C C 49 173.073 173.073 174.937 -1.864 25973 5530 1 14 . 1 1 49 49 GLN CA C 49 52.999 52.999 55.562 -2.563 25973 5531 1 14 . 1 1 49 49 GLN CB C 49 26.041 26.041 29.417 -3.376 25973 5532 1 14 . 1 1 49 49 GLN H H 49 8.521 8.521 8.381 0.140 25973 5533 1 14 . 1 1 50 50 LEU N N 50 125.208 125.208 124.236 0.972 25973 5534 1 14 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.313 -0.367 25973 5535 1 14 . 1 1 50 50 LEU C C 50 173.823 173.823 176.238 -2.415 25973 5536 1 14 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.981 -3.399 25973 5537 1 14 . 1 1 50 50 LEU CB C 50 38.906 38.906 40.150 -1.244 25973 5538 1 14 . 1 1 50 50 LEU H H 50 8.427 8.427 8.380 0.047 25973 5539 1 14 . 1 1 51 51 GLU N N 51 122.400 122.400 121.395 1.005 25973 5540 1 14 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.513 -0.089 25973 5541 1 14 . 1 1 51 51 GLU C C 51 173.730 173.730 176.390 -2.660 25973 5542 1 14 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.304 -2.483 25973 5543 1 14 . 1 1 51 51 GLU CB C 51 27.076 27.076 31.215 -4.139 25973 5544 1 14 . 1 1 51 51 GLU H H 51 8.333 8.333 8.101 0.232 25973 5545 1 14 . 1 1 52 52 ASP N N 52 119.615 119.615 122.505 -2.890 25973 5546 1 14 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.523 -0.264 25973 5547 1 14 . 1 1 52 52 ASP C C 52 173.507 173.507 177.510 -4.003 25973 5548 1 14 . 1 1 52 52 ASP CA C 52 53.536 53.536 56.076 -2.540 25973 5549 1 14 . 1 1 52 52 ASP CB C 52 36.441 36.441 40.885 -4.444 25973 5550 1 14 . 1 1 52 52 ASP H H 52 8.490 8.490 8.675 -0.185 25973 5551 1 14 . 1 1 53 53 GLY N N 53 104.158 104.158 109.564 -5.406 25973 5552 1 14 . 1 1 53 53 GLY C C 53 172.296 172.296 174.357 -2.061 25973 5553 1 14 . 1 1 53 53 GLY CA C 53 42.633 42.633 45.602 -2.969 25973 5554 1 14 . 1 1 53 53 GLY H H 53 8.622 8.622 8.608 0.014 25973 5555 1 14 . 1 1 54 54 ARG N N 54 119.010 119.010 120.142 -1.132 25973 5556 1 14 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.550 -0.082 25973 5557 1 14 . 1 1 54 54 ARG C C 54 172.237 172.237 175.186 -2.949 25973 5558 1 14 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.764 -4.017 25973 5559 1 14 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.305 -1.733 25973 5560 1 14 . 1 1 54 54 ARG H H 54 7.397 7.397 8.166 -0.769 25973 5561 1 14 . 1 1 55 55 THR N N 55 106.762 106.762 112.081 -5.319 25973 5562 1 14 . 1 1 55 55 THR HA H 55 4.545 4.545 4.655 -0.110 25973 5563 1 14 . 1 1 55 55 THR C C 55 173.492 173.492 175.990 -2.498 25973 5564 1 14 . 1 1 55 55 THR CA C 55 57.122 57.122 59.455 -2.333 25973 5565 1 14 . 1 1 55 55 THR CB C 55 69.087 69.087 71.672 -2.585 25973 5566 1 14 . 1 1 55 55 THR H H 55 7.536 7.536 8.056 -0.520 25973 5567 1 14 . 1 1 56 56 LEU N N 56 119.096 119.096 121.946 -2.850 25973 5568 1 14 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.122 -0.160 25973 5569 1 14 . 1 1 56 56 LEU C C 56 178.169 178.169 179.030 -0.861 25973 5570 1 14 . 1 1 56 56 LEU CA C 56 56.276 56.276 58.102 -1.826 25973 5571 1 14 . 1 1 56 56 LEU CB C 56 37.245 37.245 40.480 -3.235 25973 5572 1 14 . 1 1 56 56 LEU H H 56 8.258 8.258 8.694 -0.436 25973 5573 1 14 . 1 1 57 57 SER N N 57 113.389 113.389 114.743 -1.354 25973 5574 1 14 . 1 1 57 57 SER HA H 57 4.180 4.180 4.299 -0.119 25973 5575 1 14 . 1 1 57 57 SER C C 57 175.491 175.491 176.665 -1.174 25973 5576 1 14 . 1 1 57 57 SER CA C 57 57.967 57.967 61.396 -3.429 25973 5577 1 14 . 1 1 57 57 SER CB C 57 59.730 59.730 62.299 -2.569 25973 5578 1 14 . 1 1 57 57 SER H H 57 8.484 8.484 8.357 0.127 25973 5579 1 14 . 1 1 58 58 ASP N N 58 122.795 122.795 121.484 1.311 25973 5580 1 14 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.535 -0.261 25973 5581 1 14 . 1 1 58 58 ASP C C 58 173.529 173.529 177.290 -3.761 25973 5582 1 14 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.451 -3.632 25973 5583 1 14 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.856 -6.196 25973 5584 1 14 . 1 1 58 58 ASP H H 58 7.893 7.893 7.811 0.082 25973 5585 1 14 . 1 1 59 59 TYR N N 59 116.135 116.135 117.849 -1.714 25973 5586 1 14 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.488 0.135 25973 5587 1 14 . 1 1 59 59 TYR C C 59 171.756 171.756 174.709 -2.953 25973 5588 1 14 . 1 1 59 59 TYR CA C 59 55.546 55.546 59.172 -3.626 25973 5589 1 14 . 1 1 59 59 TYR CB C 59 37.146 37.146 38.722 -1.576 25973 5590 1 14 . 1 1 59 59 TYR H H 59 7.243 7.243 7.493 -0.250 25973 5591 1 14 . 1 1 60 60 ASN N N 60 115.660 115.660 115.960 -0.300 25973 5592 1 14 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.323 -0.042 25973 5593 1 14 . 1 1 60 60 ASN C C 60 171.419 171.419 174.617 -3.198 25973 5594 1 14 . 1 1 60 60 ASN CA C 60 51.470 51.470 54.170 -2.700 25973 5595 1 14 . 1 1 60 60 ASN CB C 60 34.647 34.647 35.894 -1.247 25973 5596 1 14 . 1 1 60 60 ASN H H 60 8.108 8.108 8.174 -0.066 25973 5597 1 14 . 1 1 61 61 ILE N N 61 118.591 118.591 118.718 -0.127 25973 5598 1 14 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.679 -0.420 25973 5599 1 14 . 1 1 61 61 ILE C C 61 171.673 171.673 176.184 -4.511 25973 5600 1 14 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.927 -3.190 25973 5601 1 14 . 1 1 61 61 ILE CB C 61 34.117 34.117 37.632 -3.515 25973 5602 1 14 . 1 1 61 61 ILE H H 61 7.031 7.031 8.186 -1.155 25973 5603 1 14 . 1 1 62 62 GLN N N 62 125.176 125.176 126.224 -1.048 25973 5604 1 14 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.479 -0.011 25973 5605 1 14 . 1 1 62 62 GLN C C 62 172.907 172.907 175.699 -2.792 25973 5606 1 14 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.818 -3.871 25973 5607 1 14 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.885 -1.585 25973 5608 1 14 . 1 1 62 62 GLN H H 62 7.645 7.645 8.463 -0.818 25973 5609 1 14 . 1 1 63 63 LYS N N 63 120.040 120.040 118.473 1.567 25973 5610 1 14 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.251 -0.341 25973 5611 1 14 . 1 1 63 63 LYS C C 63 173.589 173.589 176.880 -3.291 25973 5612 1 14 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.046 -0.754 25973 5613 1 14 . 1 1 63 63 LYS CB C 63 29.920 29.920 33.033 -3.113 25973 5614 1 14 . 1 1 63 63 LYS H H 63 8.416 8.416 8.378 0.038 25973 5615 1 14 . 1 1 64 64 GLU N N 64 113.699 113.699 116.191 -2.492 25973 5616 1 14 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.135 -0.619 25973 5617 1 14 . 1 1 64 64 GLU C C 64 172.267 172.267 175.605 -3.338 25973 5618 1 14 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.826 -3.111 25973 5619 1 14 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.243 -5.442 25973 5620 1 14 . 1 1 64 64 GLU H H 64 9.180 9.180 8.578 0.602 25973 5621 1 14 . 1 1 65 65 SER N N 65 115.564 115.564 113.967 1.597 25973 5622 1 14 . 1 1 65 65 SER HA H 65 4.531 4.531 4.685 -0.154 25973 5623 1 14 . 1 1 65 65 SER C C 65 169.375 169.375 174.240 -4.865 25973 5624 1 14 . 1 1 65 65 SER CA C 65 58.422 58.422 58.482 -0.060 25973 5625 1 14 . 1 1 65 65 SER CB C 65 62.153 62.153 64.532 -2.379 25973 5626 1 14 . 1 1 65 65 SER H H 65 7.818 7.818 7.739 0.079 25973 5627 1 14 . 1 1 66 66 THR N N 66 117.311 117.311 121.531 -4.220 25973 5628 1 14 . 1 1 66 66 THR HA H 66 5.106 5.106 4.604 0.502 25973 5629 1 14 . 1 1 66 66 THR C C 66 171.057 171.057 173.991 -2.934 25973 5630 1 14 . 1 1 66 66 THR CA C 66 59.814 59.814 62.497 -2.683 25973 5631 1 14 . 1 1 66 66 THR CB C 66 67.491 67.491 68.899 -1.408 25973 5632 1 14 . 1 1 66 66 THR H H 66 8.704 8.704 8.781 -0.077 25973 5633 1 14 . 1 1 67 67 LEU N N 67 127.157 127.157 128.687 -1.530 25973 5634 1 14 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.634 0.317 25973 5635 1 14 . 1 1 67 67 LEU C C 67 173.090 173.090 175.774 -2.684 25973 5636 1 14 . 1 1 67 67 LEU CA C 67 51.708 51.708 53.950 -2.242 25973 5637 1 14 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.516 -3.125 25973 5638 1 14 . 1 1 67 67 LEU H H 67 9.318 9.318 9.219 0.099 25973 5639 1 14 . 1 1 68 68 HIS N N 68 118.227 118.227 122.657 -4.430 25973 5640 1 14 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.785 0.385 25973 5641 1 14 . 1 1 68 68 HIS C C 68 170.031 170.031 174.396 -4.365 25973 5642 1 14 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.843 -3.779 25973 5643 1 14 . 1 1 68 68 HIS CB C 68 27.536 27.536 29.733 -2.197 25973 5644 1 14 . 1 1 68 68 HIS H H 68 9.141 9.141 9.028 0.113 25973 5645 1 14 . 1 1 69 69 LEU N N 69 124.847 124.847 128.708 -3.861 25973 5646 1 14 . 1 1 69 69 LEU HA H 69 5.108 5.108 4.918 0.190 25973 5647 1 14 . 1 1 69 69 LEU C C 69 172.304 172.304 174.906 -2.602 25973 5648 1 14 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.764 -2.118 25973 5649 1 14 . 1 1 69 69 LEU CB C 69 41.603 41.603 42.483 -0.880 25973 5650 1 14 . 1 1 69 69 LEU H H 69 8.332 8.332 8.968 -0.636 25973 5651 1 14 . 1 1 70 70 VAL N N 70 128.173 128.173 128.950 -0.777 25973 5652 1 14 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.486 -0.036 25973 5653 1 14 . 1 1 70 70 VAL C C 70 177.746 177.746 173.960 3.786 25973 5654 1 14 . 1 1 70 70 VAL CA C 70 58.395 58.395 61.298 -2.903 25973 5655 1 14 . 1 1 70 70 VAL CB C 70 31.198 31.198 34.294 -3.096 25973 5656 1 14 . 1 1 70 70 VAL H H 70 9.159 9.159 8.842 0.317 25973 5657 1 14 . 1 1 71 71 LEU N N 71 124.557 124.557 123.405 1.152 25973 5658 1 14 . 1 1 71 71 LEU HA H 71 4.922 4.922 5.141 -0.219 25973 5659 1 14 . 1 1 71 71 LEU C C 71 174.917 174.917 176.354 -1.437 25973 5660 1 14 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.551 -1.721 25973 5661 1 14 . 1 1 71 71 LEU CB C 71 39.997 39.997 44.982 -4.985 25973 5662 1 14 . 1 1 71 71 LEU H H 71 8.273 8.273 8.272 0.001 25973 5663 1 14 . 1 1 72 72 ARG N N 72 123.440 123.440 124.311 -0.871 25973 5664 1 14 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.339 -0.090 25973 5665 1 14 . 1 1 72 72 ARG C C 72 172.657 172.657 176.046 -3.389 25973 5666 1 14 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.072 -2.325 25973 5667 1 14 . 1 1 72 72 ARG CB C 72 28.058 28.058 29.287 -1.229 25973 5668 1 14 . 1 1 72 72 ARG H H 72 8.532 8.532 8.563 -0.031 25973 5669 1 14 . 1 1 73 73 LEU N N 73 124.189 124.189 125.085 -0.896 25973 5670 1 14 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.202 0.069 25973 5671 1 14 . 1 1 73 73 LEU C C 73 174.691 174.691 177.071 -2.380 25973 5672 1 14 . 1 1 73 73 LEU CA C 73 52.361 52.361 55.297 -2.936 25973 5673 1 14 . 1 1 73 73 LEU CB C 73 39.708 39.708 42.573 -2.865 25973 5674 1 14 . 1 1 73 73 LEU H H 73 8.289 8.289 8.322 -0.033 25973 5675 1 14 . 1 1 74 74 ARG N N 74 121.162 121.162 123.003 -1.841 25973 5676 1 14 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.516 -0.269 25973 5677 1 14 . 1 1 74 74 ARG C C 74 173.901 173.901 176.433 -2.532 25973 5678 1 14 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.664 -2.039 25973 5679 1 14 . 1 1 74 74 ARG CB C 74 28.134 28.134 29.951 -1.817 25973 5680 1 14 . 1 1 74 74 ARG H H 74 8.268 8.268 8.541 -0.273 25973 5681 1 14 . 1 1 75 75 GLY N N 75 110.230 110.230 112.122 -1.892 25973 5682 1 14 . 1 1 75 75 GLY C C 75 171.504 171.504 174.973 -3.469 25973 5683 1 14 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.258 -1.854 25973 5684 1 14 . 1 1 75 75 GLY H H 75 8.367 8.367 8.530 -0.163 25973 5685 1 15 . 1 1 2 2 GLN N N 2 124.960 124.960 120.576 4.384 25973 5686 1 15 . 1 1 2 2 GLN HA H 2 5.089 5.089 5.270 -0.181 25973 5687 1 15 . 1 1 2 2 GLN C C 2 172.479 172.479 173.782 -1.303 25973 5688 1 15 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.002 -1.682 25973 5689 1 15 . 1 1 2 2 GLN CB C 2 28.181 28.181 32.677 -4.496 25973 5690 1 15 . 1 1 2 2 GLN H H 2 8.807 8.807 8.275 0.532 25973 5691 1 15 . 1 1 3 3 ILE N N 3 116.556 116.556 113.883 2.673 25973 5692 1 15 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.348 -0.170 25973 5693 1 15 . 1 1 3 3 ILE C C 3 169.813 169.813 173.349 -3.536 25973 5694 1 15 . 1 1 3 3 ILE CA C 3 56.621 56.621 60.151 -3.530 25973 5695 1 15 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.776 -2.671 25973 5696 1 15 . 1 1 3 3 ILE H H 3 8.237 8.237 8.585 -0.348 25973 5697 1 15 . 1 1 4 4 PHE N N 4 118.417 118.417 120.426 -2.009 25973 5698 1 15 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.519 -0.020 25973 5699 1 15 . 1 1 4 4 PHE C C 4 172.505 172.505 175.300 -2.795 25973 5700 1 15 . 1 1 4 4 PHE CA C 4 52.824 52.824 55.808 -2.984 25973 5701 1 15 . 1 1 4 4 PHE CB C 4 38.890 38.890 41.955 -3.065 25973 5702 1 15 . 1 1 4 4 PHE H H 4 8.675 8.675 8.881 -0.206 25973 5703 1 15 . 1 1 5 5 VAL N N 5 120.755 120.755 122.462 -1.707 25973 5704 1 15 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.549 0.038 25973 5705 1 15 . 1 1 5 5 VAL C C 5 172.070 172.070 174.846 -2.776 25973 5706 1 15 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.375 -3.255 25973 5707 1 15 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.357 -2.309 25973 5708 1 15 . 1 1 5 5 VAL H H 5 9.190 9.190 9.203 -0.013 25973 5709 1 15 . 1 1 6 6 LYS N N 6 127.964 127.964 129.401 -1.437 25973 5710 1 15 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.959 0.279 25973 5711 1 15 . 1 1 6 6 LYS C C 6 174.119 174.119 176.195 -2.076 25973 5712 1 15 . 1 1 6 6 LYS CA C 6 51.871 51.871 53.707 -1.836 25973 5713 1 15 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.282 -1.614 25973 5714 1 15 . 1 1 6 6 LYS H H 6 8.758 8.758 9.270 -0.512 25973 5715 1 15 . 1 1 7 7 THR N N 7 115.618 115.618 117.460 -1.842 25973 5716 1 15 . 1 1 7 7 THR HA H 7 4.912 4.912 5.247 -0.335 25973 5717 1 15 . 1 1 7 7 THR C C 7 173.994 173.994 176.591 -2.597 25973 5718 1 15 . 1 1 7 7 THR CA C 7 57.844 57.844 59.838 -1.994 25973 5719 1 15 . 1 1 7 7 THR CB C 7 68.137 68.137 70.760 -2.623 25973 5720 1 15 . 1 1 7 7 THR H H 7 8.573 8.573 8.182 0.391 25973 5721 1 15 . 1 1 8 8 LEU N N 8 122.083 122.083 121.714 0.369 25973 5722 1 15 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.285 -0.076 25973 5723 1 15 . 1 1 8 8 LEU C C 8 176.005 176.005 176.947 -0.942 25973 5724 1 15 . 1 1 8 8 LEU CA C 8 55.656 55.656 57.542 -1.886 25973 5725 1 15 . 1 1 8 8 LEU CB C 8 39.247 39.247 41.800 -2.553 25973 5726 1 15 . 1 1 8 8 LEU H H 8 9.034 9.034 8.350 0.684 25973 5727 1 15 . 1 1 9 9 THR N N 9 105.803 105.803 107.744 -1.941 25973 5728 1 15 . 1 1 9 9 THR HA H 9 4.503 4.503 4.379 0.124 25973 5729 1 15 . 1 1 9 9 THR C C 9 172.624 172.624 175.276 -2.652 25973 5730 1 15 . 1 1 9 9 THR CA C 9 58.961 58.961 60.713 -1.752 25973 5731 1 15 . 1 1 9 9 THR CB C 9 66.541 66.541 68.259 -1.718 25973 5732 1 15 . 1 1 9 9 THR H H 9 7.582 7.582 7.523 0.059 25973 5733 1 15 . 1 1 10 10 GLY N N 10 109.254 109.254 110.808 -1.554 25973 5734 1 15 . 1 1 10 10 GLY C C 10 171.405 171.405 173.235 -1.830 25973 5735 1 15 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.190 -2.537 25973 5736 1 15 . 1 1 10 10 GLY H H 10 7.770 7.770 7.830 -0.060 25973 5737 1 15 . 1 1 11 11 LYS N N 11 121.278 121.278 123.958 -2.680 25973 5738 1 15 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.347 -0.039 25973 5739 1 15 . 1 1 11 11 LYS C C 11 173.489 173.489 174.692 -1.203 25973 5740 1 15 . 1 1 11 11 LYS CA C 11 53.385 53.385 55.324 -1.939 25973 5741 1 15 . 1 1 11 11 LYS CB C 11 30.172 30.172 34.931 -4.759 25973 5742 1 15 . 1 1 11 11 LYS H H 11 7.313 7.313 8.237 -0.924 25973 5743 1 15 . 1 1 12 12 THR N N 12 120.644 120.644 122.583 -1.939 25973 5744 1 15 . 1 1 12 12 THR HA H 12 4.972 4.972 4.899 0.073 25973 5745 1 15 . 1 1 12 12 THR C C 12 171.547 171.547 174.451 -2.904 25973 5746 1 15 . 1 1 12 12 THR CA C 12 59.880 59.880 62.040 -2.160 25973 5747 1 15 . 1 1 12 12 THR CB C 12 67.386 67.386 68.977 -1.591 25973 5748 1 15 . 1 1 12 12 THR H H 12 8.659 8.659 8.309 0.350 25973 5749 1 15 . 1 1 13 13 ILE N N 13 125.497 125.497 128.131 -2.634 25973 5750 1 15 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.519 0.019 25973 5751 1 15 . 1 1 13 13 ILE C C 13 172.300 172.300 175.400 -3.100 25973 5752 1 15 . 1 1 13 13 ILE CA C 13 57.114 57.114 59.961 -2.847 25973 5753 1 15 . 1 1 13 13 ILE CB C 13 38.695 38.695 40.081 -1.386 25973 5754 1 15 . 1 1 13 13 ILE H H 13 9.169 9.169 8.885 0.284 25973 5755 1 15 . 1 1 14 14 THR N N 14 120.078 120.078 121.798 -1.720 25973 5756 1 15 . 1 1 14 14 THR HA H 14 4.883 4.883 4.942 -0.059 25973 5757 1 15 . 1 1 14 14 THR C C 14 170.915 170.915 173.913 -2.998 25973 5758 1 15 . 1 1 14 14 THR CA C 14 58.998 58.998 61.915 -2.917 25973 5759 1 15 . 1 1 14 14 THR CB C 14 67.221 67.221 69.493 -2.272 25973 5760 1 15 . 1 1 14 14 THR H H 14 8.596 8.596 8.418 0.178 25973 5761 1 15 . 1 1 15 15 LEU N N 15 124.381 124.381 127.991 -3.610 25973 5762 1 15 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.692 0.064 25973 5763 1 15 . 1 1 15 15 LEU C C 15 172.377 172.377 175.538 -3.161 25973 5764 1 15 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.458 -3.457 25973 5765 1 15 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.332 -1.211 25973 5766 1 15 . 1 1 15 15 LEU H H 15 8.706 8.706 8.646 0.060 25973 5767 1 15 . 1 1 16 16 GLU N N 16 122.156 122.156 122.125 0.031 25973 5768 1 15 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.793 0.059 25973 5769 1 15 . 1 1 16 16 GLU C C 16 172.785 172.785 175.885 -3.100 25973 5770 1 15 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.730 -4.013 25973 5771 1 15 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.681 -5.449 25973 5772 1 15 . 1 1 16 16 GLU H H 16 8.259 8.259 8.538 -0.279 25973 5773 1 15 . 1 1 17 17 VAL N N 17 115.706 115.706 119.191 -3.485 25973 5774 1 15 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.556 0.077 25973 5775 1 15 . 1 1 17 17 VAL C C 17 171.495 171.495 173.970 -2.475 25973 5776 1 15 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.373 -3.706 25973 5777 1 15 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.566 -1.351 25973 5778 1 15 . 1 1 17 17 VAL H H 17 8.631 8.631 7.791 0.840 25973 5779 1 15 . 1 1 18 18 GLU N N 18 117.702 117.702 119.091 -1.389 25973 5780 1 15 . 1 1 18 18 GLU H H 18 7.705 7.705 8.160 -0.455 25973 5781 1 15 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.488 -0.451 25973 5782 1 15 . 1 1 19 19 PRO C C 19 172.411 172.411 176.038 -3.627 25973 5783 1 15 . 1 1 19 19 PRO CA C 19 62.565 62.565 63.960 -1.395 25973 5784 1 15 . 1 1 19 19 PRO CB C 19 29.354 29.354 31.890 -2.535 25973 5785 1 15 . 1 1 20 20 SER N N 20 104.376 104.376 111.055 -6.679 25973 5786 1 15 . 1 1 20 20 SER HA H 20 4.270 4.270 4.472 -0.202 25973 5787 1 15 . 1 1 20 20 SER C C 20 172.006 172.006 174.170 -2.164 25973 5788 1 15 . 1 1 20 20 SER CA C 20 54.697 54.697 57.507 -2.810 25973 5789 1 15 . 1 1 20 20 SER CB C 20 60.491 60.491 64.263 -3.772 25973 5790 1 15 . 1 1 20 20 SER H H 20 7.127 7.127 7.644 -0.517 25973 5791 1 15 . 1 1 21 21 ASP N N 21 121.646 121.646 123.965 -2.319 25973 5792 1 15 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.929 -0.215 25973 5793 1 15 . 1 1 21 21 ASP C C 21 172.786 172.786 176.155 -3.369 25973 5794 1 15 . 1 1 21 21 ASP CA C 21 51.436 51.436 53.837 -2.401 25973 5795 1 15 . 1 1 21 21 ASP CB C 21 36.288 36.288 42.492 -6.204 25973 5796 1 15 . 1 1 21 21 ASP H H 21 7.890 7.890 7.930 -0.040 25973 5797 1 15 . 1 1 22 22 THR N N 22 109.295 109.295 110.908 -1.613 25973 5798 1 15 . 1 1 22 22 THR HA H 22 4.833 4.833 4.524 0.309 25973 5799 1 15 . 1 1 22 22 THR C C 22 173.653 173.653 176.227 -2.574 25973 5800 1 15 . 1 1 22 22 THR CA C 22 57.439 57.439 60.403 -2.964 25973 5801 1 15 . 1 1 22 22 THR CB C 22 68.925 68.925 70.565 -1.640 25973 5802 1 15 . 1 1 22 22 THR H H 22 8.202 8.202 8.038 0.164 25973 5803 1 15 . 1 1 23 23 ILE N N 23 121.424 121.424 121.655 -0.231 25973 5804 1 15 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.957 -0.361 25973 5805 1 15 . 1 1 23 23 ILE C C 23 176.250 176.250 178.100 -1.850 25973 5806 1 15 . 1 1 23 23 ILE CA C 23 59.208 59.208 62.987 -3.779 25973 5807 1 15 . 1 1 23 23 ILE CB C 23 31.692 31.692 36.683 -4.991 25973 5808 1 15 . 1 1 23 23 ILE H H 23 8.450 8.450 8.711 -0.261 25973 5809 1 15 . 1 1 24 24 GLU N N 24 120.359 120.359 119.602 0.757 25973 5810 1 15 . 1 1 24 24 GLU HA H 24 3.814 3.814 4.082 -0.268 25973 5811 1 15 . 1 1 24 24 GLU C C 24 175.008 175.008 178.911 -3.903 25973 5812 1 15 . 1 1 24 24 GLU CA C 24 56.671 56.671 59.806 -3.135 25973 5813 1 15 . 1 1 24 24 GLU CB C 24 25.586 25.586 28.883 -3.297 25973 5814 1 15 . 1 1 24 24 GLU H H 24 8.802 8.802 8.894 -0.092 25973 5815 1 15 . 1 1 25 25 ASN N N 25 119.035 119.035 118.374 0.661 25973 5816 1 15 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.498 -0.105 25973 5817 1 15 . 1 1 25 25 ASN C C 25 175.438 175.438 177.226 -1.788 25973 5818 1 15 . 1 1 25 25 ASN CA C 25 53.655 53.655 55.554 -1.899 25973 5819 1 15 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.639 -2.370 25973 5820 1 15 . 1 1 25 25 ASN H H 25 7.928 7.928 7.674 0.254 25973 5821 1 15 . 1 1 26 26 ALA N N 26 122.272 122.272 122.880 -0.608 25973 5822 1 15 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.982 -0.171 25973 5823 1 15 . 1 1 26 26 ALA C C 26 176.256 176.256 179.177 -2.921 25973 5824 1 15 . 1 1 26 26 ALA CA C 26 53.046 53.046 54.814 -1.768 25973 5825 1 15 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.386 -5.132 25973 5826 1 15 . 1 1 26 26 ALA H H 26 7.949 7.949 7.528 0.421 25973 5827 1 15 . 1 1 27 27 LYS N N 27 117.069 117.069 118.248 -1.179 25973 5828 1 15 . 1 1 27 27 LYS H H 27 8.469 8.469 7.777 0.692 25973 5829 1 15 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.110 -0.041 25973 5830 1 15 . 1 1 28 28 ALA C C 28 177.699 177.699 179.430 -1.731 25973 5831 1 15 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.129 -2.562 25973 5832 1 15 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.121 -3.168 25973 5833 1 15 . 1 1 29 29 LYS N N 29 119.644 119.644 117.806 1.838 25973 5834 1 15 . 1 1 29 29 LYS HA H 29 4.101 4.101 4.054 0.047 25973 5835 1 15 . 1 1 29 29 LYS C C 29 177.487 177.487 178.935 -1.448 25973 5836 1 15 . 1 1 29 29 LYS CA C 29 56.825 56.825 58.653 -1.827 25973 5837 1 15 . 1 1 29 29 LYS CB C 29 30.222 30.222 31.875 -1.653 25973 5838 1 15 . 1 1 29 29 LYS H H 29 7.726 7.726 7.373 0.353 25973 5839 1 15 . 1 1 30 30 ILE N N 30 121.905 121.905 120.390 1.515 25973 5840 1 15 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.690 0.492 25973 5841 1 15 . 1 1 30 30 ILE C C 30 175.724 175.724 177.818 -2.094 25973 5842 1 15 . 1 1 30 30 ILE CA C 30 63.545 63.545 64.978 -1.433 25973 5843 1 15 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.888 -3.683 25973 5844 1 15 . 1 1 30 30 ILE H H 30 8.206 8.206 7.495 0.711 25973 5845 1 15 . 1 1 31 31 GLN N N 31 123.624 123.624 121.162 2.462 25973 5846 1 15 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.135 -0.399 25973 5847 1 15 . 1 1 31 31 GLN C C 31 176.118 176.118 178.344 -2.226 25973 5848 1 15 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.151 -2.053 25973 5849 1 15 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.551 -3.001 25973 5850 1 15 . 1 1 31 31 GLN H H 31 8.597 8.597 8.216 0.381 25973 5851 1 15 . 1 1 32 32 ASP N N 32 118.441 118.441 118.974 -0.533 25973 5852 1 15 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.514 -0.200 25973 5853 1 15 . 1 1 32 32 ASP C C 32 173.568 173.568 177.765 -4.197 25973 5854 1 15 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.460 -3.096 25973 5855 1 15 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.744 -5.591 25973 5856 1 15 . 1 1 32 32 ASP H H 32 7.994 7.994 7.914 0.080 25973 5857 1 15 . 1 1 33 33 LYS N N 33 115.568 115.568 118.868 -3.300 25973 5858 1 15 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.337 -0.042 25973 5859 1 15 . 1 1 33 33 LYS C C 33 174.935 174.935 177.881 -2.946 25973 5860 1 15 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.666 -2.235 25973 5861 1 15 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.573 -1.760 25973 5862 1 15 . 1 1 33 33 LYS H H 33 7.383 7.383 7.437 -0.054 25973 5863 1 15 . 1 1 34 34 GLU N N 34 113.069 113.069 115.983 -2.914 25973 5864 1 15 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.451 0.168 25973 5865 1 15 . 1 1 34 34 GLU C C 34 174.551 174.551 177.297 -2.746 25973 5866 1 15 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.254 -4.032 25973 5867 1 15 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.589 -1.676 25973 5868 1 15 . 1 1 34 34 GLU H H 34 8.697 8.697 8.418 0.279 25973 5869 1 15 . 1 1 35 35 GLY N N 35 108.734 108.734 109.158 -0.424 25973 5870 1 15 . 1 1 35 35 GLY C C 35 170.888 170.888 174.203 -3.315 25973 5871 1 15 . 1 1 35 35 GLY H H 35 8.564 8.564 8.267 0.297 25973 5872 1 15 . 1 1 36 36 ILE N N 36 116.747 116.747 120.956 -4.209 25973 5873 1 15 . 1 1 36 36 ILE H H 36 6.763 6.763 7.336 -0.573 25973 5874 1 15 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.098 -0.106 25973 5875 1 15 . 1 1 38 38 PRO C C 38 175.657 175.657 178.607 -2.950 25973 5876 1 15 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.835 -2.101 25973 5877 1 15 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.710 -1.551 25973 5878 1 15 . 1 1 39 39 ASP N N 39 113.150 113.150 115.504 -2.354 25973 5879 1 15 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.448 -0.043 25973 5880 1 15 . 1 1 39 39 ASP C C 39 173.637 173.637 177.022 -3.385 25973 5881 1 15 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.191 -4.228 25973 5882 1 15 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.554 -6.255 25973 5883 1 15 . 1 1 39 39 ASP H H 39 8.758 8.758 8.575 0.183 25973 5884 1 15 . 1 1 40 40 GLN N N 40 118.365 118.365 115.966 2.399 25973 5885 1 15 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.544 -0.143 25973 5886 1 15 . 1 1 40 40 GLN C C 40 172.173 172.173 174.607 -2.434 25973 5887 1 15 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.179 -2.253 25973 5888 1 15 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.963 -2.540 25973 5889 1 15 . 1 1 40 40 GLN H H 40 7.949 7.949 8.106 -0.157 25973 5890 1 15 . 1 1 41 41 GLN N N 41 117.813 117.813 119.189 -1.376 25973 5891 1 15 . 1 1 41 41 GLN C C 41 172.785 172.785 174.954 -2.169 25973 5892 1 15 . 1 1 41 41 GLN H H 41 7.490 7.490 7.499 -0.009 25973 5893 1 15 . 1 1 42 42 ARG N N 42 115.761 115.761 123.586 -7.825 25973 5894 1 15 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.653 -0.226 25973 5895 1 15 . 1 1 42 42 ARG C C 42 171.412 171.412 173.986 -2.574 25973 5896 1 15 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.061 -2.749 25973 5897 1 15 . 1 1 42 42 ARG CB C 42 28.635 28.635 32.843 -4.208 25973 5898 1 15 . 1 1 42 42 ARG H H 42 8.631 8.631 8.261 0.370 25973 5899 1 15 . 1 1 43 43 LEU N N 43 124.185 124.185 127.208 -3.023 25973 5900 1 15 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.829 0.465 25973 5901 1 15 . 1 1 43 43 LEU C C 43 172.374 172.374 176.242 -3.868 25973 5902 1 15 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.508 -3.654 25973 5903 1 15 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.291 -0.177 25973 5904 1 15 . 1 1 43 43 LEU H H 43 8.673 8.673 8.641 0.032 25973 5905 1 15 . 1 1 44 44 ILE N N 44 122.386 122.386 126.532 -4.146 25973 5906 1 15 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.494 0.425 25973 5907 1 15 . 1 1 44 44 ILE C C 44 173.248 173.248 174.180 -0.932 25973 5908 1 15 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.846 -4.419 25973 5909 1 15 . 1 1 44 44 ILE CB C 44 39.130 39.130 41.564 -2.434 25973 5910 1 15 . 1 1 44 44 ILE H H 44 8.970 8.970 8.561 0.409 25973 5911 1 15 . 1 1 45 45 PHE N N 45 125.287 125.287 126.138 -0.851 25973 5912 1 15 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.970 -0.015 25973 5913 1 15 . 1 1 45 45 PHE C C 45 171.645 171.645 174.621 -2.976 25973 5914 1 15 . 1 1 45 45 PHE CA C 45 54.395 54.395 56.697 -2.302 25973 5915 1 15 . 1 1 45 45 PHE CB C 45 41.282 41.282 41.382 -0.100 25973 5916 1 15 . 1 1 45 45 PHE H H 45 8.658 8.658 8.465 0.193 25973 5917 1 15 . 1 1 46 46 ALA N N 46 100.596 100.596 122.334 -21.738 25973 5918 1 15 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.921 -0.295 25973 5919 1 15 . 1 1 46 46 ALA C C 46 174.527 174.527 177.542 -3.015 25973 5920 1 15 . 1 1 46 46 ALA CA C 46 49.877 49.877 51.793 -1.916 25973 5921 1 15 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.549 -3.682 25973 5922 1 15 . 1 1 46 46 ALA H H 46 8.687 8.687 6.399 2.288 25973 5923 1 15 . 1 1 47 47 GLY N N 47 102.825 102.825 107.118 -4.293 25973 5924 1 15 . 1 1 47 47 GLY C C 47 171.138 171.138 173.665 -2.527 25973 5925 1 15 . 1 1 47 47 GLY CA C 47 42.658 42.658 44.603 -1.945 25973 5926 1 15 . 1 1 47 47 GLY H H 47 8.193 8.193 7.993 0.200 25973 5927 1 15 . 1 1 48 48 LYS N N 48 121.451 121.451 120.239 1.212 25973 5928 1 15 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.588 -0.046 25973 5929 1 15 . 1 1 48 48 LYS C C 48 171.954 171.954 176.329 -4.375 25973 5930 1 15 . 1 1 48 48 LYS CA C 48 51.653 51.653 55.979 -4.326 25973 5931 1 15 . 1 1 48 48 LYS CB C 48 31.761 31.761 32.900 -1.139 25973 5932 1 15 . 1 1 48 48 LYS H H 48 7.888 7.888 7.405 0.483 25973 5933 1 15 . 1 1 49 49 GLN N N 49 121.884 121.884 119.642 2.242 25973 5934 1 15 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.233 0.185 25973 5935 1 15 . 1 1 49 49 GLN C C 49 173.073 173.073 176.318 -3.245 25973 5936 1 15 . 1 1 49 49 GLN CA C 49 52.999 52.999 56.957 -3.958 25973 5937 1 15 . 1 1 49 49 GLN CB C 49 26.041 26.041 29.188 -3.147 25973 5938 1 15 . 1 1 49 49 GLN H H 49 8.521 8.521 8.430 0.091 25973 5939 1 15 . 1 1 50 50 LEU N N 50 125.208 125.208 119.152 6.056 25973 5940 1 15 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.329 -0.383 25973 5941 1 15 . 1 1 50 50 LEU C C 50 173.823 173.823 176.759 -2.936 25973 5942 1 15 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.465 -2.883 25973 5943 1 15 . 1 1 50 50 LEU CB C 50 38.906 38.906 41.923 -3.017 25973 5944 1 15 . 1 1 50 50 LEU H H 50 8.427 8.427 7.694 0.733 25973 5945 1 15 . 1 1 51 51 GLU N N 51 122.400 122.400 119.019 3.381 25973 5946 1 15 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.406 0.018 25973 5947 1 15 . 1 1 51 51 GLU C C 51 173.730 173.730 177.228 -3.498 25973 5948 1 15 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.812 -2.991 25973 5949 1 15 . 1 1 51 51 GLU CB C 51 27.076 27.076 31.208 -4.132 25973 5950 1 15 . 1 1 51 51 GLU H H 51 8.333 8.333 8.395 -0.062 25973 5951 1 15 . 1 1 52 52 ASP N N 52 119.615 119.615 122.665 -3.050 25973 5952 1 15 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.352 -0.093 25973 5953 1 15 . 1 1 52 52 ASP C C 52 173.507 173.507 177.772 -4.265 25973 5954 1 15 . 1 1 52 52 ASP CA C 52 53.536 53.536 57.023 -3.487 25973 5955 1 15 . 1 1 52 52 ASP CB C 52 36.441 36.441 40.617 -4.176 25973 5956 1 15 . 1 1 52 52 ASP H H 52 8.490 8.490 8.783 -0.293 25973 5957 1 15 . 1 1 53 53 GLY N N 53 104.158 104.158 107.318 -3.160 25973 5958 1 15 . 1 1 53 53 GLY C C 53 172.296 172.296 174.989 -2.693 25973 5959 1 15 . 1 1 53 53 GLY CA C 53 42.633 42.633 46.026 -3.393 25973 5960 1 15 . 1 1 53 53 GLY H H 53 8.622 8.622 8.574 0.048 25973 5961 1 15 . 1 1 54 54 ARG N N 54 119.010 119.010 120.338 -1.328 25973 5962 1 15 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.669 -0.201 25973 5963 1 15 . 1 1 54 54 ARG C C 54 172.237 172.237 175.234 -2.997 25973 5964 1 15 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.213 -3.466 25973 5965 1 15 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.490 -1.918 25973 5966 1 15 . 1 1 54 54 ARG H H 54 7.397 7.397 7.912 -0.515 25973 5967 1 15 . 1 1 55 55 THR N N 55 106.762 106.762 112.702 -5.940 25973 5968 1 15 . 1 1 55 55 THR HA H 55 4.545 4.545 4.485 0.060 25973 5969 1 15 . 1 1 55 55 THR C C 55 173.492 173.492 175.833 -2.341 25973 5970 1 15 . 1 1 55 55 THR CA C 55 57.122 57.122 60.408 -3.286 25973 5971 1 15 . 1 1 55 55 THR CB C 55 69.087 69.087 70.372 -1.285 25973 5972 1 15 . 1 1 55 55 THR H H 55 7.536 7.536 8.205 -0.669 25973 5973 1 15 . 1 1 56 56 LEU N N 56 119.096 119.096 121.163 -2.067 25973 5974 1 15 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.190 -0.228 25973 5975 1 15 . 1 1 56 56 LEU C C 56 178.169 178.169 179.255 -1.086 25973 5976 1 15 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.672 -1.396 25973 5977 1 15 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.599 -4.354 25973 5978 1 15 . 1 1 56 56 LEU H H 56 8.258 8.258 8.407 -0.149 25973 5979 1 15 . 1 1 57 57 SER N N 57 113.389 113.389 114.815 -1.426 25973 5980 1 15 . 1 1 57 57 SER HA H 57 4.180 4.180 4.228 -0.048 25973 5981 1 15 . 1 1 57 57 SER C C 57 175.491 175.491 176.300 -0.809 25973 5982 1 15 . 1 1 57 57 SER CA C 57 57.967 57.967 61.381 -3.414 25973 5983 1 15 . 1 1 57 57 SER CB C 57 59.730 59.730 62.542 -2.812 25973 5984 1 15 . 1 1 57 57 SER H H 57 8.484 8.484 8.198 0.286 25973 5985 1 15 . 1 1 58 58 ASP N N 58 122.795 122.795 121.442 1.353 25973 5986 1 15 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.457 -0.183 25973 5987 1 15 . 1 1 58 58 ASP C C 58 173.529 173.529 177.097 -3.568 25973 5988 1 15 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.203 -3.384 25973 5989 1 15 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.686 -6.026 25973 5990 1 15 . 1 1 58 58 ASP H H 58 7.893 7.893 8.093 -0.200 25973 5991 1 15 . 1 1 59 59 TYR N N 59 116.135 116.135 118.367 -2.232 25973 5992 1 15 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.532 0.091 25973 5993 1 15 . 1 1 59 59 TYR C C 59 171.756 171.756 174.881 -3.125 25973 5994 1 15 . 1 1 59 59 TYR CA C 59 55.546 55.546 58.886 -3.340 25973 5995 1 15 . 1 1 59 59 TYR CB C 59 37.146 37.146 38.995 -1.849 25973 5996 1 15 . 1 1 59 59 TYR H H 59 7.243 7.243 7.597 -0.354 25973 5997 1 15 . 1 1 60 60 ASN N N 60 115.660 115.660 116.312 -0.652 25973 5998 1 15 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.296 -0.015 25973 5999 1 15 . 1 1 60 60 ASN C C 60 171.419 171.419 174.627 -3.208 25973 6000 1 15 . 1 1 60 60 ASN CA C 60 51.470 51.470 54.142 -2.672 25973 6001 1 15 . 1 1 60 60 ASN CB C 60 34.647 34.647 35.547 -0.900 25973 6002 1 15 . 1 1 60 60 ASN H H 60 8.108 8.108 8.254 -0.146 25973 6003 1 15 . 1 1 61 61 ILE N N 61 118.591 118.591 119.226 -0.635 25973 6004 1 15 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.902 -0.643 25973 6005 1 15 . 1 1 61 61 ILE C C 61 171.673 171.673 176.174 -4.501 25973 6006 1 15 . 1 1 61 61 ILE CA C 61 59.737 59.737 63.065 -3.328 25973 6007 1 15 . 1 1 61 61 ILE CB C 61 34.117 34.117 37.884 -3.767 25973 6008 1 15 . 1 1 61 61 ILE H H 61 7.031 7.031 8.184 -1.153 25973 6009 1 15 . 1 1 62 62 GLN N N 62 125.176 125.176 126.894 -1.718 25973 6010 1 15 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.512 -0.044 25973 6011 1 15 . 1 1 62 62 GLN C C 62 172.907 172.907 175.592 -2.685 25973 6012 1 15 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.874 -3.927 25973 6013 1 15 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.258 -0.958 25973 6014 1 15 . 1 1 62 62 GLN H H 62 7.645 7.645 8.561 -0.916 25973 6015 1 15 . 1 1 63 63 LYS N N 63 120.040 120.040 120.801 -0.761 25973 6016 1 15 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.086 -0.176 25973 6017 1 15 . 1 1 63 63 LYS C C 63 173.589 173.589 177.798 -4.209 25973 6018 1 15 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.708 -1.416 25973 6019 1 15 . 1 1 63 63 LYS CB C 63 29.920 29.920 32.560 -2.640 25973 6020 1 15 . 1 1 63 63 LYS H H 63 8.416 8.416 8.616 -0.200 25973 6021 1 15 . 1 1 64 64 GLU N N 64 113.699 113.699 115.615 -1.916 25973 6022 1 15 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.050 -0.534 25973 6023 1 15 . 1 1 64 64 GLU C C 64 172.267 172.267 175.830 -3.563 25973 6024 1 15 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.799 -3.084 25973 6025 1 15 . 1 1 64 64 GLU CB C 64 22.801 22.801 29.152 -6.351 25973 6026 1 15 . 1 1 64 64 GLU H H 64 9.180 9.180 8.654 0.526 25973 6027 1 15 . 1 1 65 65 SER N N 65 115.564 115.564 113.859 1.705 25973 6028 1 15 . 1 1 65 65 SER HA H 65 4.531 4.531 4.596 -0.065 25973 6029 1 15 . 1 1 65 65 SER C C 65 169.375 169.375 174.219 -4.844 25973 6030 1 15 . 1 1 65 65 SER CA C 65 58.422 58.422 59.032 -0.610 25973 6031 1 15 . 1 1 65 65 SER CB C 65 62.153 62.153 64.392 -2.239 25973 6032 1 15 . 1 1 65 65 SER H H 65 7.818 7.818 7.487 0.331 25973 6033 1 15 . 1 1 66 66 THR N N 66 117.311 117.311 121.272 -3.961 25973 6034 1 15 . 1 1 66 66 THR HA H 66 5.106 5.106 4.730 0.376 25973 6035 1 15 . 1 1 66 66 THR C C 66 171.057 171.057 174.006 -2.949 25973 6036 1 15 . 1 1 66 66 THR CA C 66 59.814 59.814 62.167 -2.353 25973 6037 1 15 . 1 1 66 66 THR CB C 66 67.491 67.491 69.138 -1.647 25973 6038 1 15 . 1 1 66 66 THR H H 66 8.704 8.704 8.519 0.185 25973 6039 1 15 . 1 1 67 67 LEU N N 67 127.157 127.157 128.477 -1.320 25973 6040 1 15 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.530 0.421 25973 6041 1 15 . 1 1 67 67 LEU C C 67 173.090 173.090 175.635 -2.545 25973 6042 1 15 . 1 1 67 67 LEU CA C 67 51.708 51.708 53.919 -2.211 25973 6043 1 15 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.366 -2.975 25973 6044 1 15 . 1 1 67 67 LEU H H 67 9.318 9.318 9.193 0.125 25973 6045 1 15 . 1 1 68 68 HIS N N 68 118.227 118.227 122.093 -3.866 25973 6046 1 15 . 1 1 68 68 HIS HA H 68 5.170 5.170 5.009 0.161 25973 6047 1 15 . 1 1 68 68 HIS C C 68 170.031 170.031 174.410 -4.379 25973 6048 1 15 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.694 -3.630 25973 6049 1 15 . 1 1 68 68 HIS CB C 68 27.536 27.536 29.829 -2.293 25973 6050 1 15 . 1 1 68 68 HIS H H 68 9.141 9.141 8.847 0.294 25973 6051 1 15 . 1 1 69 69 LEU N N 69 124.847 124.847 128.611 -3.764 25973 6052 1 15 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.153 -0.045 25973 6053 1 15 . 1 1 69 69 LEU C C 69 172.304 172.304 174.882 -2.578 25973 6054 1 15 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.474 -1.828 25973 6055 1 15 . 1 1 69 69 LEU CB C 69 41.603 41.603 43.010 -1.407 25973 6056 1 15 . 1 1 69 69 LEU H H 69 8.332 8.332 8.796 -0.464 25973 6057 1 15 . 1 1 70 70 VAL N N 70 128.173 128.173 128.302 -0.129 25973 6058 1 15 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.456 -0.006 25973 6059 1 15 . 1 1 70 70 VAL C C 70 177.746 177.746 174.391 3.355 25973 6060 1 15 . 1 1 70 70 VAL CA C 70 58.395 58.395 60.968 -2.573 25973 6061 1 15 . 1 1 70 70 VAL CB C 70 31.198 31.198 34.895 -3.697 25973 6062 1 15 . 1 1 70 70 VAL H H 70 9.159 9.159 8.784 0.375 25973 6063 1 15 . 1 1 71 71 LEU N N 71 124.557 124.557 123.723 0.834 25973 6064 1 15 . 1 1 71 71 LEU HA H 71 4.922 4.922 4.948 -0.026 25973 6065 1 15 . 1 1 71 71 LEU C C 71 174.917 174.917 176.851 -1.934 25973 6066 1 15 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.151 -1.321 25973 6067 1 15 . 1 1 71 71 LEU CB C 71 39.997 39.997 43.221 -3.224 25973 6068 1 15 . 1 1 71 71 LEU H H 71 8.273 8.273 8.347 -0.074 25973 6069 1 15 . 1 1 72 72 ARG N N 72 123.440 123.440 124.108 -0.668 25973 6070 1 15 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.365 -0.116 25973 6071 1 15 . 1 1 72 72 ARG C C 72 172.657 172.657 175.366 -2.709 25973 6072 1 15 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.969 -3.223 25973 6073 1 15 . 1 1 72 72 ARG CB C 72 28.058 28.058 29.392 -1.334 25973 6074 1 15 . 1 1 72 72 ARG H H 72 8.532 8.532 8.671 -0.139 25973 6075 1 15 . 1 1 73 73 LEU N N 73 124.189 124.189 125.814 -1.625 25973 6076 1 15 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.533 -0.262 25973 6077 1 15 . 1 1 73 73 LEU C C 73 174.691 174.691 175.928 -1.237 25973 6078 1 15 . 1 1 73 73 LEU CA C 73 52.361 52.361 54.953 -2.592 25973 6079 1 15 . 1 1 73 73 LEU CB C 73 39.708 39.708 44.560 -4.852 25973 6080 1 15 . 1 1 73 73 LEU H H 73 8.289 8.289 8.301 -0.012 25973 6081 1 15 . 1 1 74 74 ARG N N 74 121.162 121.162 124.238 -3.076 25973 6082 1 15 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.747 -0.500 25973 6083 1 15 . 1 1 74 74 ARG C C 74 173.901 173.901 175.882 -1.981 25973 6084 1 15 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.763 -2.138 25973 6085 1 15 . 1 1 74 74 ARG CB C 74 28.134 28.134 31.357 -3.223 25973 6086 1 15 . 1 1 74 74 ARG H H 74 8.268 8.268 8.572 -0.304 25973 6087 1 15 . 1 1 75 75 GLY N N 75 110.230 110.230 110.276 -0.046 25973 6088 1 15 . 1 1 75 75 GLY C C 75 171.504 171.504 174.516 -3.012 25973 6089 1 15 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.875 -2.471 25973 6090 1 15 . 1 1 75 75 GLY H H 75 8.367 8.367 8.459 -0.092 25973 6091 1 16 . 1 1 2 2 GLN N N 2 124.960 124.960 119.949 5.011 25973 6092 1 16 . 1 1 2 2 GLN HA H 2 5.089 5.089 3.962 1.127 25973 6093 1 16 . 1 1 2 2 GLN C C 2 172.479 172.479 174.072 -1.593 25973 6094 1 16 . 1 1 2 2 GLN CA C 2 52.320 52.320 56.893 -4.573 25973 6095 1 16 . 1 1 2 2 GLN CB C 2 28.181 28.181 27.585 0.596 25973 6096 1 16 . 1 1 2 2 GLN H H 2 8.807 8.807 8.605 0.202 25973 6097 1 16 . 1 1 3 3 ILE N N 3 116.556 116.556 115.259 1.297 25973 6098 1 16 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.489 -0.311 25973 6099 1 16 . 1 1 3 3 ILE C C 3 169.813 169.813 173.938 -4.125 25973 6100 1 16 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.195 -2.574 25973 6101 1 16 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.379 -2.274 25973 6102 1 16 . 1 1 3 3 ILE H H 3 8.237 8.237 8.594 -0.357 25973 6103 1 16 . 1 1 4 4 PHE N N 4 118.417 118.417 121.054 -2.637 25973 6104 1 16 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.502 -0.003 25973 6105 1 16 . 1 1 4 4 PHE C C 4 172.505 172.505 175.524 -3.019 25973 6106 1 16 . 1 1 4 4 PHE CA C 4 52.824 52.824 55.967 -3.143 25973 6107 1 16 . 1 1 4 4 PHE CB C 4 38.890 38.890 41.936 -3.046 25973 6108 1 16 . 1 1 4 4 PHE H H 4 8.675 8.675 8.860 -0.185 25973 6109 1 16 . 1 1 5 5 VAL N N 5 120.755 120.755 121.687 -0.932 25973 6110 1 16 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.556 0.031 25973 6111 1 16 . 1 1 5 5 VAL C C 5 172.070 172.070 174.465 -2.395 25973 6112 1 16 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.477 -3.357 25973 6113 1 16 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.123 -2.075 25973 6114 1 16 . 1 1 5 5 VAL H H 5 9.190 9.190 9.031 0.159 25973 6115 1 16 . 1 1 6 6 LYS N N 6 127.964 127.964 129.089 -1.125 25973 6116 1 16 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.746 0.492 25973 6117 1 16 . 1 1 6 6 LYS C C 6 174.119 174.119 175.863 -1.744 25973 6118 1 16 . 1 1 6 6 LYS CA C 6 51.871 51.871 55.089 -3.217 25973 6119 1 16 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.809 -2.141 25973 6120 1 16 . 1 1 6 6 LYS H H 6 8.758 8.758 9.167 -0.409 25973 6121 1 16 . 1 1 7 7 THR N N 7 115.618 115.618 118.869 -3.251 25973 6122 1 16 . 1 1 7 7 THR HA H 7 4.912 4.912 4.963 -0.051 25973 6123 1 16 . 1 1 7 7 THR C C 7 173.994 173.994 176.700 -2.706 25973 6124 1 16 . 1 1 7 7 THR CA C 7 57.844 57.844 59.670 -1.826 25973 6125 1 16 . 1 1 7 7 THR CB C 7 68.137 68.137 70.809 -2.672 25973 6126 1 16 . 1 1 7 7 THR H H 7 8.573 8.573 8.095 0.478 25973 6127 1 16 . 1 1 8 8 LEU N N 8 122.083 122.083 119.859 2.224 25973 6128 1 16 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.395 -0.186 25973 6129 1 16 . 1 1 8 8 LEU C C 8 176.005 176.005 177.689 -1.684 25973 6130 1 16 . 1 1 8 8 LEU CA C 8 55.656 55.656 56.727 -1.071 25973 6131 1 16 . 1 1 8 8 LEU CB C 8 39.247 39.247 41.824 -2.577 25973 6132 1 16 . 1 1 8 8 LEU H H 8 9.034 9.034 8.636 0.398 25973 6133 1 16 . 1 1 9 9 THR N N 9 105.803 105.803 108.120 -2.317 25973 6134 1 16 . 1 1 9 9 THR HA H 9 4.503 4.503 4.427 0.076 25973 6135 1 16 . 1 1 9 9 THR C C 9 172.624 172.624 175.759 -3.135 25973 6136 1 16 . 1 1 9 9 THR CA C 9 58.961 58.961 61.728 -2.767 25973 6137 1 16 . 1 1 9 9 THR CB C 9 66.541 66.541 69.600 -3.058 25973 6138 1 16 . 1 1 9 9 THR H H 9 7.582 7.582 7.978 -0.396 25973 6139 1 16 . 1 1 10 10 GLY N N 10 109.254 109.254 110.349 -1.095 25973 6140 1 16 . 1 1 10 10 GLY C C 10 171.405 171.405 173.666 -2.261 25973 6141 1 16 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.133 -2.480 25973 6142 1 16 . 1 1 10 10 GLY H H 10 7.770 7.770 7.520 0.250 25973 6143 1 16 . 1 1 11 11 LYS N N 11 121.278 121.278 123.323 -2.045 25973 6144 1 16 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.147 0.161 25973 6145 1 16 . 1 1 11 11 LYS C C 11 173.489 173.489 175.597 -2.108 25973 6146 1 16 . 1 1 11 11 LYS CA C 11 53.385 53.385 56.977 -3.592 25973 6147 1 16 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.965 -2.793 25973 6148 1 16 . 1 1 11 11 LYS H H 11 7.313 7.313 7.831 -0.518 25973 6149 1 16 . 1 1 12 12 THR N N 12 120.644 120.644 121.383 -0.739 25973 6150 1 16 . 1 1 12 12 THR HA H 12 4.972 4.972 5.140 -0.168 25973 6151 1 16 . 1 1 12 12 THR C C 12 171.547 171.547 174.632 -3.085 25973 6152 1 16 . 1 1 12 12 THR CA C 12 59.880 59.880 61.966 -2.086 25973 6153 1 16 . 1 1 12 12 THR CB C 12 67.386 67.386 69.597 -2.211 25973 6154 1 16 . 1 1 12 12 THR H H 12 8.659 8.659 8.180 0.479 25973 6155 1 16 . 1 1 13 13 ILE N N 13 125.497 125.497 126.181 -0.684 25973 6156 1 16 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.472 0.066 25973 6157 1 16 . 1 1 13 13 ILE C C 13 172.300 172.300 175.200 -2.900 25973 6158 1 16 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.216 -3.102 25973 6159 1 16 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.427 -0.732 25973 6160 1 16 . 1 1 13 13 ILE H H 13 9.169 9.169 8.753 0.416 25973 6161 1 16 . 1 1 14 14 THR N N 14 120.078 120.078 122.769 -2.691 25973 6162 1 16 . 1 1 14 14 THR HA H 14 4.883 4.883 4.840 0.043 25973 6163 1 16 . 1 1 14 14 THR C C 14 170.915 170.915 173.700 -2.785 25973 6164 1 16 . 1 1 14 14 THR CA C 14 58.998 58.998 61.570 -2.572 25973 6165 1 16 . 1 1 14 14 THR CB C 14 67.221 67.221 69.497 -2.276 25973 6166 1 16 . 1 1 14 14 THR H H 14 8.596 8.596 8.430 0.166 25973 6167 1 16 . 1 1 15 15 LEU N N 15 124.381 124.381 127.978 -3.597 25973 6168 1 16 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.720 0.036 25973 6169 1 16 . 1 1 15 15 LEU C C 15 172.377 172.377 174.974 -2.597 25973 6170 1 16 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.781 -3.780 25973 6171 1 16 . 1 1 15 15 LEU CB C 15 44.121 44.121 46.429 -2.308 25973 6172 1 16 . 1 1 15 15 LEU H H 15 8.706 8.706 8.826 -0.120 25973 6173 1 16 . 1 1 16 16 GLU N N 16 122.156 122.156 122.893 -0.737 25973 6174 1 16 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.853 -0.001 25973 6175 1 16 . 1 1 16 16 GLU C C 16 172.785 172.785 175.143 -2.358 25973 6176 1 16 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.219 -3.502 25973 6177 1 16 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.265 -5.033 25973 6178 1 16 . 1 1 16 16 GLU H H 16 8.259 8.259 8.617 -0.358 25973 6179 1 16 . 1 1 17 17 VAL N N 17 115.706 115.706 118.621 -2.915 25973 6180 1 16 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.497 0.136 25973 6181 1 16 . 1 1 17 17 VAL C C 17 171.495 171.495 173.845 -2.350 25973 6182 1 16 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.102 -3.435 25973 6183 1 16 . 1 1 17 17 VAL CB C 17 33.215 33.215 35.148 -1.933 25973 6184 1 16 . 1 1 17 17 VAL H H 17 8.631 8.631 8.238 0.393 25973 6185 1 16 . 1 1 18 18 GLU N N 18 117.702 117.702 119.354 -1.652 25973 6186 1 16 . 1 1 18 18 GLU H H 18 7.705 7.705 8.487 -0.782 25973 6187 1 16 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.312 -0.275 25973 6188 1 16 . 1 1 19 19 PRO C C 19 172.411 172.411 177.010 -4.599 25973 6189 1 16 . 1 1 19 19 PRO CA C 19 62.565 62.565 64.689 -2.124 25973 6190 1 16 . 1 1 19 19 PRO CB C 19 29.354 29.354 31.975 -2.621 25973 6191 1 16 . 1 1 20 20 SER N N 20 104.376 104.376 110.101 -5.725 25973 6192 1 16 . 1 1 20 20 SER HA H 20 4.270 4.270 4.320 -0.050 25973 6193 1 16 . 1 1 20 20 SER C C 20 172.006 172.006 173.931 -1.925 25973 6194 1 16 . 1 1 20 20 SER CA C 20 54.697 54.697 57.928 -3.231 25973 6195 1 16 . 1 1 20 20 SER CB C 20 60.491 60.491 62.994 -2.503 25973 6196 1 16 . 1 1 20 20 SER H H 20 7.127 7.127 7.966 -0.839 25973 6197 1 16 . 1 1 21 21 ASP N N 21 121.646 121.646 123.057 -1.411 25973 6198 1 16 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.761 -0.046 25973 6199 1 16 . 1 1 21 21 ASP C C 21 172.786 172.786 175.691 -2.905 25973 6200 1 16 . 1 1 21 21 ASP CA C 21 51.436 51.436 53.940 -2.504 25973 6201 1 16 . 1 1 21 21 ASP CB C 21 36.288 36.288 42.748 -6.460 25973 6202 1 16 . 1 1 21 21 ASP H H 21 7.890 7.890 7.443 0.447 25973 6203 1 16 . 1 1 22 22 THR N N 22 109.295 109.295 113.062 -3.767 25973 6204 1 16 . 1 1 22 22 THR HA H 22 4.833 4.833 4.568 0.265 25973 6205 1 16 . 1 1 22 22 THR C C 22 173.653 173.653 176.294 -2.641 25973 6206 1 16 . 1 1 22 22 THR CA C 22 57.439 57.439 60.167 -2.728 25973 6207 1 16 . 1 1 22 22 THR CB C 22 68.925 68.925 70.652 -1.727 25973 6208 1 16 . 1 1 22 22 THR H H 22 8.202 8.202 8.067 0.135 25973 6209 1 16 . 1 1 23 23 ILE N N 23 121.424 121.424 121.261 0.163 25973 6210 1 16 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.816 -0.220 25973 6211 1 16 . 1 1 23 23 ILE C C 23 176.250 176.250 177.301 -1.051 25973 6212 1 16 . 1 1 23 23 ILE CA C 23 59.208 59.208 63.491 -4.283 25973 6213 1 16 . 1 1 23 23 ILE CB C 23 31.692 31.692 36.928 -5.236 25973 6214 1 16 . 1 1 23 23 ILE H H 23 8.450 8.450 8.623 -0.173 25973 6215 1 16 . 1 1 24 24 GLU N N 24 120.359 120.359 120.454 -0.095 25973 6216 1 16 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.967 -0.153 25973 6217 1 16 . 1 1 24 24 GLU C C 24 175.008 175.008 179.046 -4.038 25973 6218 1 16 . 1 1 24 24 GLU CA C 24 56.671 56.671 59.884 -3.213 25973 6219 1 16 . 1 1 24 24 GLU CB C 24 25.586 25.586 28.572 -2.986 25973 6220 1 16 . 1 1 24 24 GLU H H 24 8.802 8.802 8.673 0.129 25973 6221 1 16 . 1 1 25 25 ASN N N 25 119.035 119.035 118.330 0.705 25973 6222 1 16 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.529 -0.136 25973 6223 1 16 . 1 1 25 25 ASN C C 25 175.438 175.438 177.403 -1.965 25973 6224 1 16 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.175 -2.520 25973 6225 1 16 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.135 -1.866 25973 6226 1 16 . 1 1 25 25 ASN H H 25 7.928 7.928 7.940 -0.012 25973 6227 1 16 . 1 1 26 26 ALA N N 26 122.272 122.272 123.567 -1.295 25973 6228 1 16 . 1 1 26 26 ALA HA H 26 3.811 3.811 4.000 -0.189 25973 6229 1 16 . 1 1 26 26 ALA C C 26 176.256 176.256 179.163 -2.907 25973 6230 1 16 . 1 1 26 26 ALA CA C 26 53.046 53.046 54.988 -1.942 25973 6231 1 16 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.576 -5.322 25973 6232 1 16 . 1 1 26 26 ALA H H 26 7.949 7.949 7.381 0.568 25973 6233 1 16 . 1 1 27 27 LYS N N 27 117.069 117.069 119.381 -2.312 25973 6234 1 16 . 1 1 27 27 LYS H H 27 8.469 8.469 8.474 -0.005 25973 6235 1 16 . 1 1 28 28 ALA HA H 28 4.069 4.069 3.947 0.122 25973 6236 1 16 . 1 1 28 28 ALA C C 28 177.699 177.699 179.181 -1.482 25973 6237 1 16 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.386 -2.818 25973 6238 1 16 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.290 -3.337 25973 6239 1 16 . 1 1 29 29 LYS N N 29 119.644 119.644 118.904 0.740 25973 6240 1 16 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.976 0.125 25973 6241 1 16 . 1 1 29 29 LYS C C 29 177.487 177.487 179.054 -1.567 25973 6242 1 16 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.640 -2.815 25973 6243 1 16 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.449 -2.227 25973 6244 1 16 . 1 1 29 29 LYS H H 29 7.726 7.726 7.340 0.386 25973 6245 1 16 . 1 1 30 30 ILE N N 30 121.905 121.905 120.121 1.784 25973 6246 1 16 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.644 0.538 25973 6247 1 16 . 1 1 30 30 ILE C C 30 175.724 175.724 177.764 -2.040 25973 6248 1 16 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.060 -1.515 25973 6249 1 16 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.859 -3.655 25973 6250 1 16 . 1 1 30 30 ILE H H 30 8.206 8.206 7.735 0.471 25973 6251 1 16 . 1 1 31 31 GLN N N 31 123.624 123.624 121.495 2.129 25973 6252 1 16 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.152 -0.416 25973 6253 1 16 . 1 1 31 31 GLN C C 31 176.118 176.118 178.474 -2.356 25973 6254 1 16 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.027 -1.929 25973 6255 1 16 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.188 -2.638 25973 6256 1 16 . 1 1 31 31 GLN H H 31 8.597 8.597 8.019 0.578 25973 6257 1 16 . 1 1 32 32 ASP N N 32 118.441 118.441 118.573 -0.132 25973 6258 1 16 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.498 -0.184 25973 6259 1 16 . 1 1 32 32 ASP C C 32 173.568 173.568 177.899 -4.331 25973 6260 1 16 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.025 -2.661 25973 6261 1 16 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.726 -5.573 25973 6262 1 16 . 1 1 32 32 ASP H H 32 7.994 7.994 7.996 -0.002 25973 6263 1 16 . 1 1 33 33 LYS N N 33 115.568 115.568 118.833 -3.265 25973 6264 1 16 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.314 -0.019 25973 6265 1 16 . 1 1 33 33 LYS C C 33 174.935 174.935 178.195 -3.260 25973 6266 1 16 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.898 -2.467 25973 6267 1 16 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.679 -1.866 25973 6268 1 16 . 1 1 33 33 LYS H H 33 7.383 7.383 7.546 -0.163 25973 6269 1 16 . 1 1 34 34 GLU N N 34 113.069 113.069 116.073 -3.004 25973 6270 1 16 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.424 0.195 25973 6271 1 16 . 1 1 34 34 GLU C C 34 174.551 174.551 177.402 -2.851 25973 6272 1 16 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.335 -4.113 25973 6273 1 16 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.394 -1.481 25973 6274 1 16 . 1 1 34 34 GLU H H 34 8.697 8.697 8.444 0.253 25973 6275 1 16 . 1 1 35 35 GLY N N 35 108.734 108.734 108.938 -0.204 25973 6276 1 16 . 1 1 35 35 GLY C C 35 170.888 170.888 174.246 -3.358 25973 6277 1 16 . 1 1 35 35 GLY H H 35 8.564 8.564 8.246 0.318 25973 6278 1 16 . 1 1 36 36 ILE N N 36 116.747 116.747 121.602 -4.855 25973 6279 1 16 . 1 1 36 36 ILE H H 36 6.763 6.763 7.446 -0.683 25973 6280 1 16 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.254 -0.262 25973 6281 1 16 . 1 1 38 38 PRO C C 38 175.657 175.657 177.912 -2.255 25973 6282 1 16 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.265 -1.531 25973 6283 1 16 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.624 -1.465 25973 6284 1 16 . 1 1 39 39 ASP N N 39 113.150 113.150 117.450 -4.300 25973 6285 1 16 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.444 -0.039 25973 6286 1 16 . 1 1 39 39 ASP C C 39 173.637 173.637 176.716 -3.079 25973 6287 1 16 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.070 -4.107 25973 6288 1 16 . 1 1 39 39 ASP CB C 39 34.299 34.299 39.760 -5.460 25973 6289 1 16 . 1 1 39 39 ASP H H 39 8.758 8.758 8.553 0.205 25973 6290 1 16 . 1 1 40 40 GLN N N 40 118.365 118.365 116.916 1.449 25973 6291 1 16 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.652 -0.251 25973 6292 1 16 . 1 1 40 40 GLN C C 40 172.173 172.173 174.789 -2.616 25973 6293 1 16 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.367 -2.442 25973 6294 1 16 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.728 -2.305 25973 6295 1 16 . 1 1 40 40 GLN H H 40 7.949 7.949 7.458 0.491 25973 6296 1 16 . 1 1 41 41 GLN N N 41 117.813 117.813 119.225 -1.412 25973 6297 1 16 . 1 1 41 41 GLN C C 41 172.785 172.785 174.715 -1.930 25973 6298 1 16 . 1 1 41 41 GLN H H 41 7.490 7.490 7.323 0.167 25973 6299 1 16 . 1 1 42 42 ARG N N 42 115.761 115.761 124.153 -8.392 25973 6300 1 16 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.651 -0.224 25973 6301 1 16 . 1 1 42 42 ARG C C 42 171.412 171.412 174.331 -2.919 25973 6302 1 16 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.001 -2.689 25973 6303 1 16 . 1 1 42 42 ARG CB C 42 28.635 28.635 32.990 -4.355 25973 6304 1 16 . 1 1 42 42 ARG H H 42 8.631 8.631 8.534 0.097 25973 6305 1 16 . 1 1 43 43 LEU N N 43 124.185 124.185 126.786 -2.601 25973 6306 1 16 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.778 0.516 25973 6307 1 16 . 1 1 43 43 LEU C C 43 172.374 172.374 176.306 -3.932 25973 6308 1 16 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.690 -3.836 25973 6309 1 16 . 1 1 43 43 LEU CB C 43 43.114 43.114 42.706 0.408 25973 6310 1 16 . 1 1 43 43 LEU H H 43 8.673 8.673 8.651 0.022 25973 6311 1 16 . 1 1 44 44 ILE N N 44 122.386 122.386 125.122 -2.736 25973 6312 1 16 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.409 0.510 25973 6313 1 16 . 1 1 44 44 ILE C C 44 173.248 173.248 174.150 -0.902 25973 6314 1 16 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.250 -3.823 25973 6315 1 16 . 1 1 44 44 ILE CB C 44 39.130 39.130 42.171 -3.041 25973 6316 1 16 . 1 1 44 44 ILE H H 44 8.970 8.970 8.902 0.068 25973 6317 1 16 . 1 1 45 45 PHE N N 45 125.287 125.287 127.845 -2.558 25973 6318 1 16 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.825 0.130 25973 6319 1 16 . 1 1 45 45 PHE C C 45 171.645 171.645 173.863 -2.218 25973 6320 1 16 . 1 1 45 45 PHE CA C 45 54.395 54.395 58.551 -4.156 25973 6321 1 16 . 1 1 45 45 PHE CB C 45 41.282 41.282 41.041 0.241 25973 6322 1 16 . 1 1 45 45 PHE H H 45 8.658 8.658 8.640 0.018 25973 6323 1 16 . 1 1 46 46 ALA N N 46 100.596 100.596 129.333 -28.737 25973 6324 1 16 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.662 -0.036 25973 6325 1 16 . 1 1 46 46 ALA C C 46 174.527 174.527 176.773 -2.246 25973 6326 1 16 . 1 1 46 46 ALA CA C 46 49.877 49.877 52.585 -2.708 25973 6327 1 16 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.695 -3.828 25973 6328 1 16 . 1 1 46 46 ALA H H 46 8.687 8.687 8.213 0.474 25973 6329 1 16 . 1 1 47 47 GLY N N 47 102.825 102.825 105.268 -2.443 25973 6330 1 16 . 1 1 47 47 GLY C C 47 171.138 171.138 174.920 -3.782 25973 6331 1 16 . 1 1 47 47 GLY CA C 47 42.658 42.658 45.084 -2.426 25973 6332 1 16 . 1 1 47 47 GLY H H 47 8.193 8.193 8.095 0.098 25973 6333 1 16 . 1 1 48 48 LYS N N 48 121.451 121.451 120.470 0.981 25973 6334 1 16 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.378 0.164 25973 6335 1 16 . 1 1 48 48 LYS C C 48 171.954 171.954 175.764 -3.810 25973 6336 1 16 . 1 1 48 48 LYS CA C 48 51.653 51.653 55.929 -4.276 25973 6337 1 16 . 1 1 48 48 LYS CB C 48 31.761 31.761 31.116 0.645 25973 6338 1 16 . 1 1 48 48 LYS H H 48 7.888 7.888 8.469 -0.581 25973 6339 1 16 . 1 1 49 49 GLN N N 49 121.884 121.884 118.319 3.565 25973 6340 1 16 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.351 0.067 25973 6341 1 16 . 1 1 49 49 GLN C C 49 173.073 173.073 176.535 -3.462 25973 6342 1 16 . 1 1 49 49 GLN CA C 49 52.999 52.999 57.154 -4.154 25973 6343 1 16 . 1 1 49 49 GLN CB C 49 26.041 26.041 30.076 -4.035 25973 6344 1 16 . 1 1 49 49 GLN H H 49 8.521 8.521 7.784 0.737 25973 6345 1 16 . 1 1 50 50 LEU N N 50 125.208 125.208 121.778 3.430 25973 6346 1 16 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.459 -0.513 25973 6347 1 16 . 1 1 50 50 LEU C C 50 173.823 173.823 176.090 -2.267 25973 6348 1 16 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.065 -2.483 25973 6349 1 16 . 1 1 50 50 LEU CB C 50 38.906 38.906 40.406 -1.500 25973 6350 1 16 . 1 1 50 50 LEU H H 50 8.427 8.427 8.180 0.247 25973 6351 1 16 . 1 1 51 51 GLU N N 51 122.400 122.400 122.612 -0.212 25973 6352 1 16 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.470 -0.046 25973 6353 1 16 . 1 1 51 51 GLU C C 51 173.730 173.730 176.236 -2.506 25973 6354 1 16 . 1 1 51 51 GLU CA C 51 52.821 52.821 56.063 -3.242 25973 6355 1 16 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.649 -3.573 25973 6356 1 16 . 1 1 51 51 GLU H H 51 8.333 8.333 8.023 0.310 25973 6357 1 16 . 1 1 52 52 ASP N N 52 119.615 119.615 121.427 -1.812 25973 6358 1 16 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.580 -0.321 25973 6359 1 16 . 1 1 52 52 ASP C C 52 173.507 173.507 177.061 -3.554 25973 6360 1 16 . 1 1 52 52 ASP CA C 52 53.536 53.536 54.688 -1.152 25973 6361 1 16 . 1 1 52 52 ASP CB C 52 36.441 36.441 41.415 -4.974 25973 6362 1 16 . 1 1 52 52 ASP H H 52 8.490 8.490 8.663 -0.173 25973 6363 1 16 . 1 1 53 53 GLY N N 53 104.158 104.158 105.713 -1.555 25973 6364 1 16 . 1 1 53 53 GLY C C 53 172.296 172.296 174.339 -2.043 25973 6365 1 16 . 1 1 53 53 GLY CA C 53 42.633 42.633 44.893 -2.260 25973 6366 1 16 . 1 1 53 53 GLY H H 53 8.622 8.622 7.884 0.738 25973 6367 1 16 . 1 1 54 54 ARG N N 54 119.010 119.010 120.124 -1.114 25973 6368 1 16 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.647 -0.179 25973 6369 1 16 . 1 1 54 54 ARG C C 54 172.237 172.237 175.700 -3.463 25973 6370 1 16 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.306 -3.559 25973 6371 1 16 . 1 1 54 54 ARG CB C 54 29.572 29.572 30.963 -1.391 25973 6372 1 16 . 1 1 54 54 ARG H H 54 7.397 7.397 7.988 -0.591 25973 6373 1 16 . 1 1 55 55 THR N N 55 106.762 106.762 110.194 -3.432 25973 6374 1 16 . 1 1 55 55 THR HA H 55 4.545 4.545 4.462 0.083 25973 6375 1 16 . 1 1 55 55 THR C C 55 173.492 173.492 175.482 -1.990 25973 6376 1 16 . 1 1 55 55 THR CA C 55 57.122 57.122 60.288 -3.166 25973 6377 1 16 . 1 1 55 55 THR CB C 55 69.087 69.087 70.855 -1.768 25973 6378 1 16 . 1 1 55 55 THR H H 55 7.536 7.536 8.073 -0.537 25973 6379 1 16 . 1 1 56 56 LEU N N 56 119.096 119.096 119.954 -0.858 25973 6380 1 16 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.363 -0.401 25973 6381 1 16 . 1 1 56 56 LEU C C 56 178.169 178.169 178.882 -0.713 25973 6382 1 16 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.672 -1.397 25973 6383 1 16 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.550 -4.304 25973 6384 1 16 . 1 1 56 56 LEU H H 56 8.258 8.258 8.511 -0.253 25973 6385 1 16 . 1 1 57 57 SER N N 57 113.389 113.389 114.639 -1.250 25973 6386 1 16 . 1 1 57 57 SER HA H 57 4.180 4.180 4.182 -0.002 25973 6387 1 16 . 1 1 57 57 SER C C 57 175.491 175.491 176.455 -0.964 25973 6388 1 16 . 1 1 57 57 SER CA C 57 57.967 57.967 61.389 -3.422 25973 6389 1 16 . 1 1 57 57 SER CB C 57 59.730 59.730 62.345 -2.615 25973 6390 1 16 . 1 1 57 57 SER H H 57 8.484 8.484 8.235 0.249 25973 6391 1 16 . 1 1 58 58 ASP N N 58 122.795 122.795 121.161 1.634 25973 6392 1 16 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.507 -0.233 25973 6393 1 16 . 1 1 58 58 ASP C C 58 173.529 173.529 177.503 -3.974 25973 6394 1 16 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.499 -3.680 25973 6395 1 16 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.614 -5.955 25973 6396 1 16 . 1 1 58 58 ASP H H 58 7.893 7.893 8.237 -0.344 25973 6397 1 16 . 1 1 59 59 TYR N N 59 116.135 116.135 118.343 -2.208 25973 6398 1 16 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.514 0.109 25973 6399 1 16 . 1 1 59 59 TYR C C 59 171.756 171.756 175.120 -3.364 25973 6400 1 16 . 1 1 59 59 TYR CA C 59 55.546 55.546 58.782 -3.236 25973 6401 1 16 . 1 1 59 59 TYR CB C 59 37.146 37.146 38.995 -1.849 25973 6402 1 16 . 1 1 59 59 TYR H H 59 7.243 7.243 7.564 -0.321 25973 6403 1 16 . 1 1 60 60 ASN N N 60 115.660 115.660 118.071 -2.411 25973 6404 1 16 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.347 -0.066 25973 6405 1 16 . 1 1 60 60 ASN C C 60 171.419 171.419 174.471 -3.052 25973 6406 1 16 . 1 1 60 60 ASN CA C 60 51.470 51.470 53.598 -2.128 25973 6407 1 16 . 1 1 60 60 ASN CB C 60 34.647 34.647 37.267 -2.620 25973 6408 1 16 . 1 1 60 60 ASN H H 60 8.108 8.108 8.049 0.059 25973 6409 1 16 . 1 1 61 61 ILE N N 61 118.591 118.591 118.418 0.173 25973 6410 1 16 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.673 -0.414 25973 6411 1 16 . 1 1 61 61 ILE C C 61 171.673 171.673 176.026 -4.353 25973 6412 1 16 . 1 1 61 61 ILE CA C 61 59.737 59.737 61.776 -2.038 25973 6413 1 16 . 1 1 61 61 ILE CB C 61 34.117 34.117 36.199 -2.082 25973 6414 1 16 . 1 1 61 61 ILE H H 61 7.031 7.031 8.231 -1.200 25973 6415 1 16 . 1 1 62 62 GLN N N 62 125.176 125.176 126.495 -1.319 25973 6416 1 16 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.427 0.041 25973 6417 1 16 . 1 1 62 62 GLN C C 62 172.907 172.907 175.681 -2.774 25973 6418 1 16 . 1 1 62 62 GLN CA C 62 50.947 50.947 55.115 -4.168 25973 6419 1 16 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.625 -1.325 25973 6420 1 16 . 1 1 62 62 GLN H H 62 7.645 7.645 8.155 -0.510 25973 6421 1 16 . 1 1 63 63 LYS N N 63 120.040 120.040 119.013 1.027 25973 6422 1 16 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.480 -0.570 25973 6423 1 16 . 1 1 63 63 LYS C C 63 173.589 173.589 177.182 -3.593 25973 6424 1 16 . 1 1 63 63 LYS CA C 63 55.292 55.292 55.462 -0.170 25973 6425 1 16 . 1 1 63 63 LYS CB C 63 29.920 29.920 32.872 -2.952 25973 6426 1 16 . 1 1 63 63 LYS H H 63 8.416 8.416 8.346 0.070 25973 6427 1 16 . 1 1 64 64 GLU N N 64 113.699 113.699 115.835 -2.136 25973 6428 1 16 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.110 -0.594 25973 6429 1 16 . 1 1 64 64 GLU C C 64 172.267 172.267 176.486 -4.219 25973 6430 1 16 . 1 1 64 64 GLU CA C 64 54.715 54.715 58.104 -3.389 25973 6431 1 16 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.012 -5.211 25973 6432 1 16 . 1 1 64 64 GLU H H 64 9.180 9.180 8.669 0.511 25973 6433 1 16 . 1 1 65 65 SER N N 65 115.564 115.564 113.866 1.698 25973 6434 1 16 . 1 1 65 65 SER HA H 65 4.531 4.531 4.641 -0.110 25973 6435 1 16 . 1 1 65 65 SER C C 65 169.375 169.375 174.266 -4.891 25973 6436 1 16 . 1 1 65 65 SER CA C 65 58.422 58.422 59.171 -0.749 25973 6437 1 16 . 1 1 65 65 SER CB C 65 62.153 62.153 64.505 -2.352 25973 6438 1 16 . 1 1 65 65 SER H H 65 7.818 7.818 7.507 0.311 25973 6439 1 16 . 1 1 66 66 THR N N 66 117.311 117.311 120.977 -3.666 25973 6440 1 16 . 1 1 66 66 THR HA H 66 5.106 5.106 4.824 0.282 25973 6441 1 16 . 1 1 66 66 THR C C 66 171.057 171.057 174.028 -2.971 25973 6442 1 16 . 1 1 66 66 THR CA C 66 59.814 59.814 62.184 -2.370 25973 6443 1 16 . 1 1 66 66 THR CB C 66 67.491 67.491 69.615 -2.124 25973 6444 1 16 . 1 1 66 66 THR H H 66 8.704 8.704 8.612 0.092 25973 6445 1 16 . 1 1 67 67 LEU N N 67 127.157 127.157 128.082 -0.925 25973 6446 1 16 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.716 0.235 25973 6447 1 16 . 1 1 67 67 LEU C C 67 173.090 173.090 175.381 -2.291 25973 6448 1 16 . 1 1 67 67 LEU CA C 67 51.708 51.708 53.898 -2.190 25973 6449 1 16 . 1 1 67 67 LEU CB C 67 41.391 41.391 45.508 -4.117 25973 6450 1 16 . 1 1 67 67 LEU H H 67 9.318 9.318 9.049 0.269 25973 6451 1 16 . 1 1 68 68 HIS N N 68 118.227 118.227 121.400 -3.173 25973 6452 1 16 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.819 0.351 25973 6453 1 16 . 1 1 68 68 HIS C C 68 170.031 170.031 174.216 -4.185 25973 6454 1 16 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.726 -3.662 25973 6455 1 16 . 1 1 68 68 HIS CB C 68 27.536 27.536 29.802 -2.266 25973 6456 1 16 . 1 1 68 68 HIS H H 68 9.141 9.141 8.737 0.404 25973 6457 1 16 . 1 1 69 69 LEU N N 69 124.847 124.847 128.244 -3.397 25973 6458 1 16 . 1 1 69 69 LEU HA H 69 5.108 5.108 4.925 0.183 25973 6459 1 16 . 1 1 69 69 LEU C C 69 172.304 172.304 174.995 -2.691 25973 6460 1 16 . 1 1 69 69 LEU CA C 69 51.646 51.646 54.055 -2.409 25973 6461 1 16 . 1 1 69 69 LEU CB C 69 41.603 41.603 42.960 -1.357 25973 6462 1 16 . 1 1 69 69 LEU H H 69 8.332 8.332 8.620 -0.288 25973 6463 1 16 . 1 1 70 70 VAL N N 70 128.173 128.173 128.299 -0.126 25973 6464 1 16 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.418 0.032 25973 6465 1 16 . 1 1 70 70 VAL C C 70 177.746 177.746 174.551 3.195 25973 6466 1 16 . 1 1 70 70 VAL CA C 70 58.395 58.395 61.018 -2.623 25973 6467 1 16 . 1 1 70 70 VAL CB C 70 31.198 31.198 34.380 -3.182 25973 6468 1 16 . 1 1 70 70 VAL H H 70 9.159 9.159 9.229 -0.070 25973 6469 1 16 . 1 1 71 71 LEU N N 71 124.557 124.557 124.576 -0.019 25973 6470 1 16 . 1 1 71 71 LEU HA H 71 4.922 4.922 5.018 -0.096 25973 6471 1 16 . 1 1 71 71 LEU C C 71 174.917 174.917 176.600 -1.683 25973 6472 1 16 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.468 -1.638 25973 6473 1 16 . 1 1 71 71 LEU CB C 71 39.997 39.997 42.924 -2.927 25973 6474 1 16 . 1 1 71 71 LEU H H 71 8.273 8.273 8.356 -0.083 25973 6475 1 16 . 1 1 72 72 ARG N N 72 123.440 123.440 125.187 -1.747 25973 6476 1 16 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.434 -0.185 25973 6477 1 16 . 1 1 72 72 ARG C C 72 172.657 172.657 175.760 -3.103 25973 6478 1 16 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.385 -2.639 25973 6479 1 16 . 1 1 72 72 ARG CB C 72 28.058 28.058 30.523 -2.465 25973 6480 1 16 . 1 1 72 72 ARG H H 72 8.532 8.532 8.678 -0.146 25973 6481 1 16 . 1 1 73 73 LEU N N 73 124.189 124.189 123.902 0.287 25973 6482 1 16 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.085 0.186 25973 6483 1 16 . 1 1 73 73 LEU C C 73 174.691 174.691 175.122 -0.431 25973 6484 1 16 . 1 1 73 73 LEU CA C 73 52.361 52.361 55.182 -2.821 25973 6485 1 16 . 1 1 73 73 LEU CB C 73 39.708 39.708 42.469 -2.761 25973 6486 1 16 . 1 1 73 73 LEU H H 73 8.289 8.289 8.658 -0.369 25973 6487 1 16 . 1 1 74 74 ARG N N 74 121.162 121.162 124.110 -2.948 25973 6488 1 16 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.389 -0.142 25973 6489 1 16 . 1 1 74 74 ARG C C 74 173.901 173.901 176.412 -2.511 25973 6490 1 16 . 1 1 74 74 ARG CA C 74 53.625 53.625 56.008 -2.383 25973 6491 1 16 . 1 1 74 74 ARG CB C 74 28.134 28.134 30.345 -2.211 25973 6492 1 16 . 1 1 74 74 ARG H H 74 8.268 8.268 8.336 -0.068 25973 6493 1 16 . 1 1 75 75 GLY N N 75 110.230 110.230 113.758 -3.528 25973 6494 1 16 . 1 1 75 75 GLY C C 75 171.504 171.504 174.195 -2.691 25973 6495 1 16 . 1 1 75 75 GLY CA C 75 42.404 42.404 45.893 -3.489 25973 6496 1 16 . 1 1 75 75 GLY H H 75 8.367 8.367 8.421 -0.054 25973 6497 1 17 . 1 1 2 2 GLN N N 2 124.960 124.960 118.397 6.563 25973 6498 1 17 . 1 1 2 2 GLN HA H 2 5.089 5.089 4.969 0.120 25973 6499 1 17 . 1 1 2 2 GLN C C 2 172.479 172.479 173.554 -1.075 25973 6500 1 17 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.965 -2.644 25973 6501 1 17 . 1 1 2 2 GLN CB C 2 28.181 28.181 31.842 -3.661 25973 6502 1 17 . 1 1 2 2 GLN H H 2 8.807 8.807 8.135 0.672 25973 6503 1 17 . 1 1 3 3 ILE N N 3 116.556 116.556 114.339 2.217 25973 6504 1 17 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.364 -0.186 25973 6505 1 17 . 1 1 3 3 ILE C C 3 169.813 169.813 173.250 -3.437 25973 6506 1 17 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.703 -3.082 25973 6507 1 17 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.588 -2.483 25973 6508 1 17 . 1 1 3 3 ILE H H 3 8.237 8.237 8.271 -0.034 25973 6509 1 17 . 1 1 4 4 PHE N N 4 118.417 118.417 118.847 -0.430 25973 6510 1 17 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.527 -0.028 25973 6511 1 17 . 1 1 4 4 PHE C C 4 172.505 172.505 175.256 -2.751 25973 6512 1 17 . 1 1 4 4 PHE CA C 4 52.824 52.824 55.972 -3.148 25973 6513 1 17 . 1 1 4 4 PHE CB C 4 38.890 38.890 41.837 -2.947 25973 6514 1 17 . 1 1 4 4 PHE H H 4 8.675 8.675 8.459 0.216 25973 6515 1 17 . 1 1 5 5 VAL N N 5 120.755 120.755 123.101 -2.346 25973 6516 1 17 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.610 -0.023 25973 6517 1 17 . 1 1 5 5 VAL C C 5 172.070 172.070 174.574 -2.504 25973 6518 1 17 . 1 1 5 5 VAL CA C 5 58.120 58.120 60.925 -2.805 25973 6519 1 17 . 1 1 5 5 VAL CB C 5 32.048 32.048 33.903 -1.855 25973 6520 1 17 . 1 1 5 5 VAL H H 5 9.190 9.190 9.143 0.047 25973 6521 1 17 . 1 1 6 6 LYS N N 6 127.964 127.964 129.028 -1.064 25973 6522 1 17 . 1 1 6 6 LYS HA H 6 5.238 5.238 5.047 0.191 25973 6523 1 17 . 1 1 6 6 LYS C C 6 174.119 174.119 175.699 -1.580 25973 6524 1 17 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.395 -2.524 25973 6525 1 17 . 1 1 6 6 LYS CB C 6 32.668 32.668 35.260 -2.592 25973 6526 1 17 . 1 1 6 6 LYS H H 6 8.758 8.758 9.308 -0.550 25973 6527 1 17 . 1 1 7 7 THR N N 7 115.618 115.618 116.834 -1.216 25973 6528 1 17 . 1 1 7 7 THR HA H 7 4.912 4.912 5.098 -0.186 25973 6529 1 17 . 1 1 7 7 THR C C 7 173.994 173.994 176.578 -2.584 25973 6530 1 17 . 1 1 7 7 THR CA C 7 57.844 57.844 59.793 -1.949 25973 6531 1 17 . 1 1 7 7 THR CB C 7 68.137 68.137 71.145 -3.008 25973 6532 1 17 . 1 1 7 7 THR H H 7 8.573 8.573 8.153 0.420 25973 6533 1 17 . 1 1 8 8 LEU N N 8 122.083 122.083 121.544 0.539 25973 6534 1 17 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.204 0.005 25973 6535 1 17 . 1 1 8 8 LEU C C 8 176.005 176.005 176.655 -0.650 25973 6536 1 17 . 1 1 8 8 LEU CA C 8 55.656 55.656 57.330 -1.674 25973 6537 1 17 . 1 1 8 8 LEU CB C 8 39.247 39.247 41.822 -2.575 25973 6538 1 17 . 1 1 8 8 LEU H H 8 9.034 9.034 8.442 0.592 25973 6539 1 17 . 1 1 9 9 THR N N 9 105.803 105.803 108.204 -2.401 25973 6540 1 17 . 1 1 9 9 THR HA H 9 4.503 4.503 4.315 0.188 25973 6541 1 17 . 1 1 9 9 THR C C 9 172.624 172.624 175.234 -2.610 25973 6542 1 17 . 1 1 9 9 THR CA C 9 58.961 58.961 61.437 -2.476 25973 6543 1 17 . 1 1 9 9 THR CB C 9 66.541 66.541 68.587 -2.046 25973 6544 1 17 . 1 1 9 9 THR H H 9 7.582 7.582 7.596 -0.014 25973 6545 1 17 . 1 1 10 10 GLY N N 10 109.254 109.254 111.633 -2.379 25973 6546 1 17 . 1 1 10 10 GLY C C 10 171.405 171.405 172.920 -1.515 25973 6547 1 17 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.017 -2.364 25973 6548 1 17 . 1 1 10 10 GLY H H 10 7.770 7.770 7.966 -0.196 25973 6549 1 17 . 1 1 11 11 LYS N N 11 121.278 121.278 123.634 -2.356 25973 6550 1 17 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.348 -0.040 25973 6551 1 17 . 1 1 11 11 LYS C C 11 173.489 173.489 174.810 -1.321 25973 6552 1 17 . 1 1 11 11 LYS CA C 11 53.385 53.385 55.497 -2.112 25973 6553 1 17 . 1 1 11 11 LYS CB C 11 30.172 30.172 34.886 -4.715 25973 6554 1 17 . 1 1 11 11 LYS H H 11 7.313 7.313 8.252 -0.939 25973 6555 1 17 . 1 1 12 12 THR N N 12 120.644 120.644 121.558 -0.914 25973 6556 1 17 . 1 1 12 12 THR HA H 12 4.972 4.972 4.727 0.245 25973 6557 1 17 . 1 1 12 12 THR C C 12 171.547 171.547 174.406 -2.859 25973 6558 1 17 . 1 1 12 12 THR CA C 12 59.880 59.880 62.138 -2.258 25973 6559 1 17 . 1 1 12 12 THR CB C 12 67.386 67.386 69.039 -1.653 25973 6560 1 17 . 1 1 12 12 THR H H 12 8.659 8.659 8.292 0.367 25973 6561 1 17 . 1 1 13 13 ILE N N 13 125.497 125.497 128.598 -3.101 25973 6562 1 17 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.445 0.093 25973 6563 1 17 . 1 1 13 13 ILE C C 13 172.300 172.300 175.565 -3.265 25973 6564 1 17 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.031 -2.917 25973 6565 1 17 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.852 -1.157 25973 6566 1 17 . 1 1 13 13 ILE H H 13 9.169 9.169 9.005 0.164 25973 6567 1 17 . 1 1 14 14 THR N N 14 120.078 120.078 122.776 -2.698 25973 6568 1 17 . 1 1 14 14 THR HA H 14 4.883 4.883 5.001 -0.118 25973 6569 1 17 . 1 1 14 14 THR C C 14 170.915 170.915 173.808 -2.893 25973 6570 1 17 . 1 1 14 14 THR CA C 14 58.998 58.998 61.883 -2.885 25973 6571 1 17 . 1 1 14 14 THR CB C 14 67.221 67.221 69.368 -2.147 25973 6572 1 17 . 1 1 14 14 THR H H 14 8.596 8.596 8.472 0.124 25973 6573 1 17 . 1 1 15 15 LEU N N 15 124.381 124.381 128.236 -3.855 25973 6574 1 17 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.711 0.045 25973 6575 1 17 . 1 1 15 15 LEU C C 15 172.377 172.377 175.248 -2.871 25973 6576 1 17 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.516 -3.514 25973 6577 1 17 . 1 1 15 15 LEU CB C 15 44.121 44.121 44.807 -0.686 25973 6578 1 17 . 1 1 15 15 LEU H H 15 8.706 8.706 8.441 0.265 25973 6579 1 17 . 1 1 16 16 GLU N N 16 122.156 122.156 121.650 0.506 25973 6580 1 17 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.853 -0.001 25973 6581 1 17 . 1 1 16 16 GLU C C 16 172.785 172.785 175.867 -3.082 25973 6582 1 17 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.586 -3.869 25973 6583 1 17 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.357 -5.125 25973 6584 1 17 . 1 1 16 16 GLU H H 16 8.259 8.259 8.574 -0.315 25973 6585 1 17 . 1 1 17 17 VAL N N 17 115.706 115.706 120.146 -4.440 25973 6586 1 17 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.388 0.245 25973 6587 1 17 . 1 1 17 17 VAL C C 17 171.495 171.495 174.769 -3.274 25973 6588 1 17 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.870 -4.203 25973 6589 1 17 . 1 1 17 17 VAL CB C 17 33.215 33.215 35.438 -2.223 25973 6590 1 17 . 1 1 17 17 VAL H H 17 8.631 8.631 7.709 0.922 25973 6591 1 17 . 1 1 18 18 GLU N N 18 117.702 117.702 120.655 -2.953 25973 6592 1 17 . 1 1 18 18 GLU H H 18 7.705 7.705 8.273 -0.568 25973 6593 1 17 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.391 -0.354 25973 6594 1 17 . 1 1 19 19 PRO C C 19 172.411 172.411 176.220 -3.809 25973 6595 1 17 . 1 1 19 19 PRO CA C 19 62.565 62.565 63.964 -1.399 25973 6596 1 17 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.023 -2.668 25973 6597 1 17 . 1 1 20 20 SER N N 20 104.376 104.376 113.266 -8.890 25973 6598 1 17 . 1 1 20 20 SER HA H 20 4.270 4.270 4.508 -0.238 25973 6599 1 17 . 1 1 20 20 SER C C 20 172.006 172.006 173.273 -1.267 25973 6600 1 17 . 1 1 20 20 SER CA C 20 54.697 54.697 57.424 -2.727 25973 6601 1 17 . 1 1 20 20 SER CB C 20 60.491 60.491 63.789 -3.298 25973 6602 1 17 . 1 1 20 20 SER H H 20 7.127 7.127 7.698 -0.571 25973 6603 1 17 . 1 1 21 21 ASP N N 21 121.646 121.646 123.079 -1.433 25973 6604 1 17 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.902 -0.188 25973 6605 1 17 . 1 1 21 21 ASP C C 21 172.786 172.786 175.848 -3.062 25973 6606 1 17 . 1 1 21 21 ASP CA C 21 51.436 51.436 53.792 -2.356 25973 6607 1 17 . 1 1 21 21 ASP CB C 21 36.288 36.288 42.824 -6.536 25973 6608 1 17 . 1 1 21 21 ASP H H 21 7.890 7.890 7.772 0.118 25973 6609 1 17 . 1 1 22 22 THR N N 22 109.295 109.295 109.703 -0.408 25973 6610 1 17 . 1 1 22 22 THR HA H 22 4.833 4.833 4.542 0.291 25973 6611 1 17 . 1 1 22 22 THR C C 22 173.653 173.653 175.656 -2.003 25973 6612 1 17 . 1 1 22 22 THR CA C 22 57.439 57.439 60.312 -2.873 25973 6613 1 17 . 1 1 22 22 THR CB C 22 68.925 68.925 71.729 -2.804 25973 6614 1 17 . 1 1 22 22 THR H H 22 8.202 8.202 8.219 -0.017 25973 6615 1 17 . 1 1 23 23 ILE N N 23 121.424 121.424 120.780 0.644 25973 6616 1 17 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.758 -0.162 25973 6617 1 17 . 1 1 23 23 ILE C C 23 176.250 176.250 177.711 -1.461 25973 6618 1 17 . 1 1 23 23 ILE CA C 23 59.208 59.208 62.389 -3.180 25973 6619 1 17 . 1 1 23 23 ILE CB C 23 31.692 31.692 36.816 -5.124 25973 6620 1 17 . 1 1 23 23 ILE H H 23 8.450 8.450 8.364 0.086 25973 6621 1 17 . 1 1 24 24 GLU N N 24 120.359 120.359 119.685 0.674 25973 6622 1 17 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.871 -0.057 25973 6623 1 17 . 1 1 24 24 GLU C C 24 175.008 175.008 178.670 -3.662 25973 6624 1 17 . 1 1 24 24 GLU CA C 24 56.671 56.671 59.896 -3.225 25973 6625 1 17 . 1 1 24 24 GLU CB C 24 25.586 25.586 28.886 -3.300 25973 6626 1 17 . 1 1 24 24 GLU H H 24 8.802 8.802 8.574 0.228 25973 6627 1 17 . 1 1 25 25 ASN N N 25 119.035 119.035 118.136 0.899 25973 6628 1 17 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.498 -0.105 25973 6629 1 17 . 1 1 25 25 ASN C C 25 175.438 175.438 177.155 -1.717 25973 6630 1 17 . 1 1 25 25 ASN CA C 25 53.655 53.655 55.932 -2.277 25973 6631 1 17 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.590 -2.321 25973 6632 1 17 . 1 1 25 25 ASN H H 25 7.928 7.928 7.764 0.164 25973 6633 1 17 . 1 1 26 26 ALA N N 26 122.272 122.272 123.325 -1.053 25973 6634 1 17 . 1 1 26 26 ALA HA H 26 3.811 3.811 4.043 -0.232 25973 6635 1 17 . 1 1 26 26 ALA C C 26 176.256 176.256 179.788 -3.532 25973 6636 1 17 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.166 -2.120 25973 6637 1 17 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.380 -5.126 25973 6638 1 17 . 1 1 26 26 ALA H H 26 7.949 7.949 7.495 0.454 25973 6639 1 17 . 1 1 27 27 LYS N N 27 117.069 117.069 119.049 -1.980 25973 6640 1 17 . 1 1 27 27 LYS H H 27 8.469 8.469 8.357 0.112 25973 6641 1 17 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.043 0.026 25973 6642 1 17 . 1 1 28 28 ALA C C 28 177.699 177.699 179.321 -1.622 25973 6643 1 17 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.330 -2.763 25973 6644 1 17 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.401 -3.448 25973 6645 1 17 . 1 1 29 29 LYS N N 29 119.644 119.644 119.530 0.114 25973 6646 1 17 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.981 0.120 25973 6647 1 17 . 1 1 29 29 LYS C C 29 177.487 177.487 179.107 -1.620 25973 6648 1 17 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.523 -2.698 25973 6649 1 17 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.450 -2.228 25973 6650 1 17 . 1 1 29 29 LYS H H 29 7.726 7.726 7.968 -0.242 25973 6651 1 17 . 1 1 30 30 ILE N N 30 121.905 121.905 119.527 2.378 25973 6652 1 17 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.678 0.504 25973 6653 1 17 . 1 1 30 30 ILE C C 30 175.724 175.724 177.435 -1.711 25973 6654 1 17 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.626 -2.081 25973 6655 1 17 . 1 1 30 30 ILE CB C 30 34.205 34.205 38.017 -3.812 25973 6656 1 17 . 1 1 30 30 ILE H H 30 8.206 8.206 7.946 0.260 25973 6657 1 17 . 1 1 31 31 GLN N N 31 123.624 123.624 121.056 2.568 25973 6658 1 17 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.245 -0.509 25973 6659 1 17 . 1 1 31 31 GLN C C 31 176.118 176.118 178.446 -2.328 25973 6660 1 17 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.223 -2.125 25973 6661 1 17 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.614 -3.064 25973 6662 1 17 . 1 1 31 31 GLN H H 31 8.597 8.597 8.062 0.535 25973 6663 1 17 . 1 1 32 32 ASP N N 32 118.441 118.441 119.410 -0.969 25973 6664 1 17 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.498 -0.184 25973 6665 1 17 . 1 1 32 32 ASP C C 32 173.568 173.568 178.002 -4.434 25973 6666 1 17 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.707 -3.343 25973 6667 1 17 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.755 -5.601 25973 6668 1 17 . 1 1 32 32 ASP H H 32 7.994 7.994 8.358 -0.364 25973 6669 1 17 . 1 1 33 33 LYS N N 33 115.568 115.568 118.742 -3.174 25973 6670 1 17 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.311 -0.016 25973 6671 1 17 . 1 1 33 33 LYS C C 33 174.935 174.935 177.787 -2.852 25973 6672 1 17 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.932 -2.501 25973 6673 1 17 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.394 -1.581 25973 6674 1 17 . 1 1 33 33 LYS H H 33 7.383 7.383 7.696 -0.313 25973 6675 1 17 . 1 1 34 34 GLU N N 34 113.069 113.069 116.136 -3.067 25973 6676 1 17 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.519 0.100 25973 6677 1 17 . 1 1 34 34 GLU C C 34 174.551 174.551 177.054 -2.503 25973 6678 1 17 . 1 1 34 34 GLU CA C 34 52.222 52.222 55.764 -3.542 25973 6679 1 17 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.463 -1.550 25973 6680 1 17 . 1 1 34 34 GLU H H 34 8.697 8.697 8.427 0.270 25973 6681 1 17 . 1 1 35 35 GLY N N 35 108.734 108.734 108.460 0.274 25973 6682 1 17 . 1 1 35 35 GLY C C 35 170.888 170.888 174.204 -3.316 25973 6683 1 17 . 1 1 35 35 GLY H H 35 8.564 8.564 8.181 0.383 25973 6684 1 17 . 1 1 36 36 ILE N N 36 116.747 116.747 121.037 -4.290 25973 6685 1 17 . 1 1 36 36 ILE H H 36 6.763 6.763 7.649 -0.886 25973 6686 1 17 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.287 -0.295 25973 6687 1 17 . 1 1 38 38 PRO C C 38 175.657 175.657 177.898 -2.241 25973 6688 1 17 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.289 -1.555 25973 6689 1 17 . 1 1 38 38 PRO CB C 38 30.159 30.159 32.243 -2.084 25973 6690 1 17 . 1 1 39 39 ASP N N 39 113.150 113.150 117.618 -4.468 25973 6691 1 17 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.427 -0.022 25973 6692 1 17 . 1 1 39 39 ASP C C 39 173.637 173.637 176.844 -3.207 25973 6693 1 17 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.220 -4.257 25973 6694 1 17 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.181 -5.882 25973 6695 1 17 . 1 1 39 39 ASP H H 39 8.758 8.758 8.500 0.258 25973 6696 1 17 . 1 1 40 40 GLN N N 40 118.365 118.365 115.890 2.475 25973 6697 1 17 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.445 -0.044 25973 6698 1 17 . 1 1 40 40 GLN C C 40 172.173 172.173 175.187 -3.014 25973 6699 1 17 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.855 -2.929 25973 6700 1 17 . 1 1 40 40 GLN CB C 40 27.423 27.423 28.601 -1.178 25973 6701 1 17 . 1 1 40 40 GLN H H 40 7.949 7.949 7.987 -0.038 25973 6702 1 17 . 1 1 41 41 GLN N N 41 117.813 117.813 118.336 -0.523 25973 6703 1 17 . 1 1 41 41 GLN C C 41 172.785 172.785 175.118 -2.333 25973 6704 1 17 . 1 1 41 41 GLN H H 41 7.490 7.490 7.508 -0.018 25973 6705 1 17 . 1 1 42 42 ARG N N 42 115.761 115.761 124.577 -8.816 25973 6706 1 17 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.657 -0.230 25973 6707 1 17 . 1 1 42 42 ARG C C 42 171.412 171.412 174.257 -2.845 25973 6708 1 17 . 1 1 42 42 ARG CA C 42 52.312 52.312 54.816 -2.504 25973 6709 1 17 . 1 1 42 42 ARG CB C 42 28.635 28.635 32.726 -4.091 25973 6710 1 17 . 1 1 42 42 ARG H H 42 8.631 8.631 8.522 0.109 25973 6711 1 17 . 1 1 43 43 LEU N N 43 124.185 124.185 126.652 -2.467 25973 6712 1 17 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.782 0.512 25973 6713 1 17 . 1 1 43 43 LEU C C 43 172.374 172.374 176.283 -3.909 25973 6714 1 17 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.142 -3.288 25973 6715 1 17 . 1 1 43 43 LEU CB C 43 43.114 43.114 41.988 1.126 25973 6716 1 17 . 1 1 43 43 LEU H H 43 8.673 8.673 8.687 -0.014 25973 6717 1 17 . 1 1 44 44 ILE N N 44 122.386 122.386 125.693 -3.307 25973 6718 1 17 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.495 0.424 25973 6719 1 17 . 1 1 44 44 ILE C C 44 173.248 173.248 174.023 -0.775 25973 6720 1 17 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.068 -3.641 25973 6721 1 17 . 1 1 44 44 ILE CB C 44 39.130 39.130 42.063 -2.933 25973 6722 1 17 . 1 1 44 44 ILE H H 44 8.970 8.970 9.190 -0.220 25973 6723 1 17 . 1 1 45 45 PHE N N 45 125.287 125.287 125.712 -0.425 25973 6724 1 17 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.988 -0.033 25973 6725 1 17 . 1 1 45 45 PHE C C 45 171.645 171.645 174.682 -3.037 25973 6726 1 17 . 1 1 45 45 PHE CA C 45 54.395 54.395 56.358 -1.963 25973 6727 1 17 . 1 1 45 45 PHE CB C 45 41.282 41.282 42.476 -1.194 25973 6728 1 17 . 1 1 45 45 PHE H H 45 8.658 8.658 8.603 0.055 25973 6729 1 17 . 1 1 46 46 ALA N N 46 100.596 100.596 124.173 -23.577 25973 6730 1 17 . 1 1 46 46 ALA HA H 46 3.626 3.626 4.013 -0.388 25973 6731 1 17 . 1 1 46 46 ALA C C 46 174.527 174.527 176.954 -2.427 25973 6732 1 17 . 1 1 46 46 ALA CA C 46 49.877 49.877 52.145 -2.268 25973 6733 1 17 . 1 1 46 46 ALA CB C 46 13.867 13.867 16.244 -2.377 25973 6734 1 17 . 1 1 46 46 ALA H H 46 8.687 8.687 6.773 1.914 25973 6735 1 17 . 1 1 47 47 GLY N N 47 102.825 102.825 107.097 -4.272 25973 6736 1 17 . 1 1 47 47 GLY C C 47 171.138 171.138 174.918 -3.780 25973 6737 1 17 . 1 1 47 47 GLY CA C 47 42.658 42.658 44.900 -2.242 25973 6738 1 17 . 1 1 47 47 GLY H H 47 8.193 8.193 8.246 -0.053 25973 6739 1 17 . 1 1 48 48 LYS N N 48 121.451 121.451 119.437 2.014 25973 6740 1 17 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.215 0.327 25973 6741 1 17 . 1 1 48 48 LYS C C 48 171.954 171.954 177.061 -5.107 25973 6742 1 17 . 1 1 48 48 LYS CA C 48 51.653 51.653 57.083 -5.429 25973 6743 1 17 . 1 1 48 48 LYS CB C 48 31.761 31.761 31.870 -0.109 25973 6744 1 17 . 1 1 48 48 LYS H H 48 7.888 7.888 7.873 0.015 25973 6745 1 17 . 1 1 49 49 GLN N N 49 121.884 121.884 118.133 3.751 25973 6746 1 17 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.110 0.308 25973 6747 1 17 . 1 1 49 49 GLN C C 49 173.073 173.073 175.685 -2.612 25973 6748 1 17 . 1 1 49 49 GLN CA C 49 52.999 52.999 57.059 -4.061 25973 6749 1 17 . 1 1 49 49 GLN CB C 49 26.041 26.041 28.524 -2.483 25973 6750 1 17 . 1 1 49 49 GLN H H 49 8.521 8.521 8.111 0.410 25973 6751 1 17 . 1 1 50 50 LEU N N 50 125.208 125.208 119.079 6.129 25973 6752 1 17 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.500 -0.554 25973 6753 1 17 . 1 1 50 50 LEU C C 50 173.823 173.823 176.459 -2.636 25973 6754 1 17 . 1 1 50 50 LEU CA C 50 51.582 51.582 53.575 -1.992 25973 6755 1 17 . 1 1 50 50 LEU CB C 50 38.906 38.906 42.893 -3.987 25973 6756 1 17 . 1 1 50 50 LEU H H 50 8.427 8.427 7.281 1.146 25973 6757 1 17 . 1 1 51 51 GLU N N 51 122.400 122.400 120.419 1.981 25973 6758 1 17 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.279 0.145 25973 6759 1 17 . 1 1 51 51 GLU C C 51 173.730 173.730 177.636 -3.906 25973 6760 1 17 . 1 1 51 51 GLU CA C 51 52.821 52.821 56.044 -3.223 25973 6761 1 17 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.554 -3.478 25973 6762 1 17 . 1 1 51 51 GLU H H 51 8.333 8.333 8.347 -0.014 25973 6763 1 17 . 1 1 52 52 ASP N N 52 119.615 119.615 122.270 -2.655 25973 6764 1 17 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.395 -0.136 25973 6765 1 17 . 1 1 52 52 ASP C C 52 173.507 173.507 177.610 -4.103 25973 6766 1 17 . 1 1 52 52 ASP CA C 52 53.536 53.536 56.356 -2.821 25973 6767 1 17 . 1 1 52 52 ASP CB C 52 36.441 36.441 40.202 -3.761 25973 6768 1 17 . 1 1 52 52 ASP H H 52 8.490 8.490 8.808 -0.318 25973 6769 1 17 . 1 1 53 53 GLY N N 53 104.158 104.158 106.553 -2.395 25973 6770 1 17 . 1 1 53 53 GLY C C 53 172.296 172.296 174.938 -2.642 25973 6771 1 17 . 1 1 53 53 GLY CA C 53 42.633 42.633 45.670 -3.037 25973 6772 1 17 . 1 1 53 53 GLY H H 53 8.622 8.622 8.025 0.597 25973 6773 1 17 . 1 1 54 54 ARG N N 54 119.010 119.010 120.628 -1.618 25973 6774 1 17 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.728 -0.260 25973 6775 1 17 . 1 1 54 54 ARG C C 54 172.237 172.237 175.425 -3.188 25973 6776 1 17 . 1 1 54 54 ARG CA C 54 51.747 51.747 53.892 -2.145 25973 6777 1 17 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.494 -1.922 25973 6778 1 17 . 1 1 54 54 ARG H H 54 7.397 7.397 8.126 -0.729 25973 6779 1 17 . 1 1 55 55 THR N N 55 106.762 106.762 111.800 -5.038 25973 6780 1 17 . 1 1 55 55 THR HA H 55 4.545 4.545 4.608 -0.063 25973 6781 1 17 . 1 1 55 55 THR C C 55 173.492 173.492 176.509 -3.017 25973 6782 1 17 . 1 1 55 55 THR CA C 55 57.122 57.122 59.777 -2.655 25973 6783 1 17 . 1 1 55 55 THR CB C 55 69.087 69.087 70.904 -1.817 25973 6784 1 17 . 1 1 55 55 THR H H 55 7.536 7.536 8.224 -0.688 25973 6785 1 17 . 1 1 56 56 LEU N N 56 119.096 119.096 122.502 -3.406 25973 6786 1 17 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.146 -0.184 25973 6787 1 17 . 1 1 56 56 LEU C C 56 178.169 178.169 179.098 -0.929 25973 6788 1 17 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.919 -1.643 25973 6789 1 17 . 1 1 56 56 LEU CB C 56 37.245 37.245 40.568 -3.323 25973 6790 1 17 . 1 1 56 56 LEU H H 56 8.258 8.258 8.710 -0.452 25973 6791 1 17 . 1 1 57 57 SER N N 57 113.389 113.389 115.469 -2.080 25973 6792 1 17 . 1 1 57 57 SER HA H 57 4.180 4.180 4.185 -0.005 25973 6793 1 17 . 1 1 57 57 SER C C 57 175.491 175.491 176.239 -0.748 25973 6794 1 17 . 1 1 57 57 SER CA C 57 57.967 57.967 62.144 -4.177 25973 6795 1 17 . 1 1 57 57 SER CB C 57 59.730 59.730 62.902 -3.172 25973 6796 1 17 . 1 1 57 57 SER H H 57 8.484 8.484 8.432 0.052 25973 6797 1 17 . 1 1 58 58 ASP N N 58 122.795 122.795 121.850 0.945 25973 6798 1 17 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.453 -0.179 25973 6799 1 17 . 1 1 58 58 ASP C C 58 173.529 173.529 176.808 -3.279 25973 6800 1 17 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.289 -3.470 25973 6801 1 17 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.780 -6.120 25973 6802 1 17 . 1 1 58 58 ASP H H 58 7.893 7.893 7.784 0.109 25973 6803 1 17 . 1 1 59 59 TYR N N 59 116.135 116.135 117.067 -0.932 25973 6804 1 17 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.385 0.238 25973 6805 1 17 . 1 1 59 59 TYR C C 59 171.756 171.756 174.763 -3.007 25973 6806 1 17 . 1 1 59 59 TYR CA C 59 55.546 55.546 59.448 -3.902 25973 6807 1 17 . 1 1 59 59 TYR CB C 59 37.146 37.146 39.027 -1.881 25973 6808 1 17 . 1 1 59 59 TYR H H 59 7.243 7.243 7.561 -0.318 25973 6809 1 17 . 1 1 60 60 ASN N N 60 115.660 115.660 116.167 -0.507 25973 6810 1 17 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.324 -0.043 25973 6811 1 17 . 1 1 60 60 ASN C C 60 171.419 171.419 174.757 -3.338 25973 6812 1 17 . 1 1 60 60 ASN CA C 60 51.470 51.470 53.820 -2.350 25973 6813 1 17 . 1 1 60 60 ASN CB C 60 34.647 34.647 36.456 -1.809 25973 6814 1 17 . 1 1 60 60 ASN H H 60 8.108 8.108 8.193 -0.085 25973 6815 1 17 . 1 1 61 61 ILE N N 61 118.591 118.591 118.518 0.073 25973 6816 1 17 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.613 -0.354 25973 6817 1 17 . 1 1 61 61 ILE C C 61 171.673 171.673 176.136 -4.463 25973 6818 1 17 . 1 1 61 61 ILE CA C 61 59.737 59.737 63.194 -3.457 25973 6819 1 17 . 1 1 61 61 ILE CB C 61 34.117 34.117 37.414 -3.297 25973 6820 1 17 . 1 1 61 61 ILE H H 61 7.031 7.031 8.128 -1.097 25973 6821 1 17 . 1 1 62 62 GLN N N 62 125.176 125.176 127.875 -2.699 25973 6822 1 17 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.474 -0.006 25973 6823 1 17 . 1 1 62 62 GLN C C 62 172.907 172.907 175.687 -2.780 25973 6824 1 17 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.712 -3.765 25973 6825 1 17 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.079 -0.779 25973 6826 1 17 . 1 1 62 62 GLN H H 62 7.645 7.645 8.491 -0.846 25973 6827 1 17 . 1 1 63 63 LYS N N 63 120.040 120.040 120.027 0.013 25973 6828 1 17 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.007 -0.097 25973 6829 1 17 . 1 1 63 63 LYS C C 63 173.589 173.589 177.022 -3.433 25973 6830 1 17 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.629 -1.337 25973 6831 1 17 . 1 1 63 63 LYS CB C 63 29.920 29.920 32.436 -2.516 25973 6832 1 17 . 1 1 63 63 LYS H H 63 8.416 8.416 8.341 0.075 25973 6833 1 17 . 1 1 64 64 GLU N N 64 113.699 113.699 117.521 -3.822 25973 6834 1 17 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.196 -0.680 25973 6835 1 17 . 1 1 64 64 GLU C C 64 172.267 172.267 175.037 -2.770 25973 6836 1 17 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.892 -3.177 25973 6837 1 17 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.033 -5.232 25973 6838 1 17 . 1 1 64 64 GLU H H 64 9.180 9.180 8.311 0.869 25973 6839 1 17 . 1 1 65 65 SER N N 65 115.564 115.564 115.607 -0.043 25973 6840 1 17 . 1 1 65 65 SER HA H 65 4.531 4.531 4.867 -0.336 25973 6841 1 17 . 1 1 65 65 SER C C 65 169.375 169.375 173.893 -4.518 25973 6842 1 17 . 1 1 65 65 SER CA C 65 58.422 58.422 57.634 0.788 25973 6843 1 17 . 1 1 65 65 SER CB C 65 62.153 62.153 66.077 -3.924 25973 6844 1 17 . 1 1 65 65 SER H H 65 7.818 7.818 8.196 -0.378 25973 6845 1 17 . 1 1 66 66 THR N N 66 117.311 117.311 122.053 -4.742 25973 6846 1 17 . 1 1 66 66 THR HA H 66 5.106 5.106 4.756 0.350 25973 6847 1 17 . 1 1 66 66 THR C C 66 171.057 171.057 174.261 -3.204 25973 6848 1 17 . 1 1 66 66 THR CA C 66 59.814 59.814 62.514 -2.700 25973 6849 1 17 . 1 1 66 66 THR CB C 66 67.491 67.491 68.622 -1.131 25973 6850 1 17 . 1 1 66 66 THR H H 66 8.704 8.704 8.748 -0.044 25973 6851 1 17 . 1 1 67 67 LEU N N 67 127.157 127.157 129.062 -1.905 25973 6852 1 17 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.694 0.257 25973 6853 1 17 . 1 1 67 67 LEU C C 67 173.090 173.090 175.727 -2.637 25973 6854 1 17 . 1 1 67 67 LEU CA C 67 51.708 51.708 54.426 -2.719 25973 6855 1 17 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.468 -3.077 25973 6856 1 17 . 1 1 67 67 LEU H H 67 9.318 9.318 9.208 0.110 25973 6857 1 17 . 1 1 68 68 HIS N N 68 118.227 118.227 120.918 -2.691 25973 6858 1 17 . 1 1 68 68 HIS HA H 68 5.170 5.170 5.046 0.124 25973 6859 1 17 . 1 1 68 68 HIS C C 68 170.031 170.031 174.223 -4.192 25973 6860 1 17 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.543 -3.479 25973 6861 1 17 . 1 1 68 68 HIS CB C 68 27.536 27.536 30.116 -2.580 25973 6862 1 17 . 1 1 68 68 HIS H H 68 9.141 9.141 9.394 -0.253 25973 6863 1 17 . 1 1 69 69 LEU N N 69 124.847 124.847 127.637 -2.790 25973 6864 1 17 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.422 -0.314 25973 6865 1 17 . 1 1 69 69 LEU C C 69 172.304 172.304 174.378 -2.074 25973 6866 1 17 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.423 -1.777 25973 6867 1 17 . 1 1 69 69 LEU CB C 69 41.603 41.603 44.212 -2.609 25973 6868 1 17 . 1 1 69 69 LEU H H 69 8.332 8.332 9.181 -0.849 25973 6869 1 17 . 1 1 70 70 VAL N N 70 128.173 128.173 126.443 1.730 25973 6870 1 17 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.466 -0.016 25973 6871 1 17 . 1 1 70 70 VAL C C 70 177.746 177.746 174.615 3.131 25973 6872 1 17 . 1 1 70 70 VAL CA C 70 58.395 58.395 59.439 -1.044 25973 6873 1 17 . 1 1 70 70 VAL CB C 70 31.198 31.198 34.441 -3.244 25973 6874 1 17 . 1 1 70 70 VAL H H 70 9.159 9.159 8.888 0.271 25973 6875 1 17 . 1 1 71 71 LEU N N 71 124.557 124.557 124.867 -0.310 25973 6876 1 17 . 1 1 71 71 LEU HA H 71 4.922 4.922 4.860 0.062 25973 6877 1 17 . 1 1 71 71 LEU C C 71 174.917 174.917 176.701 -1.784 25973 6878 1 17 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.635 -1.805 25973 6879 1 17 . 1 1 71 71 LEU CB C 71 39.997 39.997 42.919 -2.922 25973 6880 1 17 . 1 1 71 71 LEU H H 71 8.273 8.273 8.416 -0.143 25973 6881 1 17 . 1 1 72 72 ARG N N 72 123.440 123.440 124.739 -1.299 25973 6882 1 17 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.435 -0.186 25973 6883 1 17 . 1 1 72 72 ARG C C 72 172.657 172.657 175.603 -2.946 25973 6884 1 17 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.322 -2.576 25973 6885 1 17 . 1 1 72 72 ARG CB C 72 28.058 28.058 30.609 -2.551 25973 6886 1 17 . 1 1 72 72 ARG H H 72 8.532 8.532 8.731 -0.199 25973 6887 1 17 . 1 1 73 73 LEU N N 73 124.189 124.189 123.481 0.708 25973 6888 1 17 . 1 1 73 73 LEU HA H 73 4.271 4.271 3.971 0.300 25973 6889 1 17 . 1 1 73 73 LEU C C 73 174.691 174.691 175.471 -0.780 25973 6890 1 17 . 1 1 73 73 LEU CA C 73 52.361 52.361 55.576 -3.215 25973 6891 1 17 . 1 1 73 73 LEU CB C 73 39.708 39.708 41.028 -1.320 25973 6892 1 17 . 1 1 73 73 LEU H H 73 8.289 8.289 8.739 -0.450 25973 6893 1 17 . 1 1 74 74 ARG N N 74 121.162 121.162 122.027 -0.865 25973 6894 1 17 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.553 -0.306 25973 6895 1 17 . 1 1 74 74 ARG C C 74 173.901 173.901 175.970 -2.069 25973 6896 1 17 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.912 -2.287 25973 6897 1 17 . 1 1 74 74 ARG CB C 74 28.134 28.134 31.579 -3.445 25973 6898 1 17 . 1 1 74 74 ARG H H 74 8.268 8.268 8.014 0.254 25973 6899 1 17 . 1 1 75 75 GLY N N 75 110.230 110.230 112.610 -2.380 25973 6900 1 17 . 1 1 75 75 GLY C C 75 171.504 171.504 174.242 -2.738 25973 6901 1 17 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.722 -2.318 25973 6902 1 17 . 1 1 75 75 GLY H H 75 8.367 8.367 8.621 -0.254 25973 6903 1 18 . 1 1 2 2 GLN N N 2 124.960 124.960 119.122 5.838 25973 6904 1 18 . 1 1 2 2 GLN HA H 2 5.089 5.089 4.299 0.790 25973 6905 1 18 . 1 1 2 2 GLN C C 2 172.479 172.479 176.063 -3.584 25973 6906 1 18 . 1 1 2 2 GLN CA C 2 52.320 52.320 56.555 -4.235 25973 6907 1 18 . 1 1 2 2 GLN CB C 2 28.181 28.181 29.287 -1.106 25973 6908 1 18 . 1 1 2 2 GLN H H 2 8.807 8.807 8.329 0.478 25973 6909 1 18 . 1 1 3 3 ILE N N 3 116.556 116.556 113.920 2.636 25973 6910 1 18 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.374 -0.196 25973 6911 1 18 . 1 1 3 3 ILE C C 3 169.813 169.813 173.789 -3.976 25973 6912 1 18 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.937 -3.316 25973 6913 1 18 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.777 -2.672 25973 6914 1 18 . 1 1 3 3 ILE H H 3 8.237 8.237 7.897 0.340 25973 6915 1 18 . 1 1 4 4 PHE N N 4 118.417 118.417 118.407 0.010 25973 6916 1 18 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.492 0.007 25973 6917 1 18 . 1 1 4 4 PHE C C 4 172.505 172.505 174.949 -2.444 25973 6918 1 18 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.269 -3.445 25973 6919 1 18 . 1 1 4 4 PHE CB C 4 38.890 38.890 43.272 -4.381 25973 6920 1 18 . 1 1 4 4 PHE H H 4 8.675 8.675 8.688 -0.013 25973 6921 1 18 . 1 1 5 5 VAL N N 5 120.755 120.755 121.842 -1.087 25973 6922 1 18 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.652 -0.065 25973 6923 1 18 . 1 1 5 5 VAL C C 5 172.070 172.070 174.476 -2.406 25973 6924 1 18 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.086 -2.966 25973 6925 1 18 . 1 1 5 5 VAL CB C 5 32.048 32.048 35.108 -3.060 25973 6926 1 18 . 1 1 5 5 VAL H H 5 9.190 9.190 9.261 -0.071 25973 6927 1 18 . 1 1 6 6 LYS N N 6 127.964 127.964 128.086 -0.122 25973 6928 1 18 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.655 0.583 25973 6929 1 18 . 1 1 6 6 LYS C C 6 174.119 174.119 175.736 -1.617 25973 6930 1 18 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.654 -2.783 25973 6931 1 18 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.741 -2.073 25973 6932 1 18 . 1 1 6 6 LYS H H 6 8.758 8.758 9.180 -0.422 25973 6933 1 18 . 1 1 7 7 THR N N 7 115.618 115.618 118.117 -2.499 25973 6934 1 18 . 1 1 7 7 THR HA H 7 4.912 4.912 4.737 0.175 25973 6935 1 18 . 1 1 7 7 THR C C 7 173.994 173.994 176.117 -2.123 25973 6936 1 18 . 1 1 7 7 THR CA C 7 57.844 57.844 59.871 -2.027 25973 6937 1 18 . 1 1 7 7 THR CB C 7 68.137 68.137 71.635 -3.498 25973 6938 1 18 . 1 1 7 7 THR H H 7 8.573 8.573 8.064 0.509 25973 6939 1 18 . 1 1 8 8 LEU N N 8 122.083 122.083 120.460 1.623 25973 6940 1 18 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.253 -0.044 25973 6941 1 18 . 1 1 8 8 LEU C C 8 176.005 176.005 177.913 -1.908 25973 6942 1 18 . 1 1 8 8 LEU CA C 8 55.656 55.656 56.996 -1.341 25973 6943 1 18 . 1 1 8 8 LEU CB C 8 39.247 39.247 40.866 -1.619 25973 6944 1 18 . 1 1 8 8 LEU H H 8 9.034 9.034 8.955 0.079 25973 6945 1 18 . 1 1 9 9 THR N N 9 105.803 105.803 106.500 -0.697 25973 6946 1 18 . 1 1 9 9 THR HA H 9 4.503 4.503 4.449 0.054 25973 6947 1 18 . 1 1 9 9 THR C C 9 172.624 172.624 176.088 -3.464 25973 6948 1 18 . 1 1 9 9 THR CA C 9 58.961 58.961 61.624 -2.663 25973 6949 1 18 . 1 1 9 9 THR CB C 9 66.541 66.541 69.976 -3.435 25973 6950 1 18 . 1 1 9 9 THR H H 9 7.582 7.582 7.287 0.295 25973 6951 1 18 . 1 1 10 10 GLY N N 10 109.254 109.254 111.607 -2.353 25973 6952 1 18 . 1 1 10 10 GLY C C 10 171.405 171.405 173.605 -2.200 25973 6953 1 18 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.629 -2.976 25973 6954 1 18 . 1 1 10 10 GLY H H 10 7.770 7.770 8.437 -0.667 25973 6955 1 18 . 1 1 11 11 LYS N N 11 121.278 121.278 123.575 -2.297 25973 6956 1 18 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.122 0.186 25973 6957 1 18 . 1 1 11 11 LYS C C 11 173.489 173.489 175.665 -2.176 25973 6958 1 18 . 1 1 11 11 LYS CA C 11 53.385 53.385 56.780 -3.395 25973 6959 1 18 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.930 -2.758 25973 6960 1 18 . 1 1 11 11 LYS H H 11 7.313 7.313 7.317 -0.004 25973 6961 1 18 . 1 1 12 12 THR N N 12 120.644 120.644 120.664 -0.020 25973 6962 1 18 . 1 1 12 12 THR HA H 12 4.972 4.972 4.966 0.006 25973 6963 1 18 . 1 1 12 12 THR C C 12 171.547 171.547 174.688 -3.141 25973 6964 1 18 . 1 1 12 12 THR CA C 12 59.880 59.880 61.623 -1.743 25973 6965 1 18 . 1 1 12 12 THR CB C 12 67.386 67.386 69.254 -1.868 25973 6966 1 18 . 1 1 12 12 THR H H 12 8.659 8.659 8.181 0.478 25973 6967 1 18 . 1 1 13 13 ILE N N 13 125.497 125.497 127.003 -1.506 25973 6968 1 18 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.525 0.013 25973 6969 1 18 . 1 1 13 13 ILE C C 13 172.300 172.300 175.300 -3.000 25973 6970 1 18 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.082 -2.968 25973 6971 1 18 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.731 -1.036 25973 6972 1 18 . 1 1 13 13 ILE H H 13 9.169 9.169 8.993 0.176 25973 6973 1 18 . 1 1 14 14 THR N N 14 120.078 120.078 122.359 -2.281 25973 6974 1 18 . 1 1 14 14 THR HA H 14 4.883 4.883 4.847 0.036 25973 6975 1 18 . 1 1 14 14 THR C C 14 170.915 170.915 173.739 -2.824 25973 6976 1 18 . 1 1 14 14 THR CA C 14 58.998 58.998 61.931 -2.933 25973 6977 1 18 . 1 1 14 14 THR CB C 14 67.221 67.221 69.533 -2.312 25973 6978 1 18 . 1 1 14 14 THR H H 14 8.596 8.596 8.615 -0.019 25973 6979 1 18 . 1 1 15 15 LEU N N 15 124.381 124.381 126.770 -2.389 25973 6980 1 18 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.677 0.079 25973 6981 1 18 . 1 1 15 15 LEU C C 15 172.377 172.377 174.729 -2.352 25973 6982 1 18 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.640 -3.639 25973 6983 1 18 . 1 1 15 15 LEU CB C 15 44.121 44.121 46.207 -2.086 25973 6984 1 18 . 1 1 15 15 LEU H H 15 8.706 8.706 7.867 0.839 25973 6985 1 18 . 1 1 16 16 GLU N N 16 122.156 122.156 123.054 -0.898 25973 6986 1 18 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.470 0.382 25973 6987 1 18 . 1 1 16 16 GLU C C 16 172.785 172.785 174.954 -2.169 25973 6988 1 18 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.637 -3.920 25973 6989 1 18 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.947 -5.715 25973 6990 1 18 . 1 1 16 16 GLU H H 16 8.259 8.259 8.583 -0.324 25973 6991 1 18 . 1 1 17 17 VAL N N 17 115.706 115.706 119.084 -3.378 25973 6992 1 18 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.602 0.031 25973 6993 1 18 . 1 1 17 17 VAL C C 17 171.495 171.495 174.164 -2.669 25973 6994 1 18 . 1 1 17 17 VAL CA C 17 55.667 55.667 60.366 -4.699 25973 6995 1 18 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.888 -1.673 25973 6996 1 18 . 1 1 17 17 VAL H H 17 8.631 8.631 7.894 0.737 25973 6997 1 18 . 1 1 18 18 GLU N N 18 117.702 117.702 120.987 -3.285 25973 6998 1 18 . 1 1 18 18 GLU H H 18 7.705 7.705 8.454 -0.749 25973 6999 1 18 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.172 -0.135 25973 7000 1 18 . 1 1 19 19 PRO C C 19 172.411 172.411 177.503 -5.092 25973 7001 1 18 . 1 1 19 19 PRO CA C 19 62.565 62.565 65.291 -2.726 25973 7002 1 18 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.062 -2.708 25973 7003 1 18 . 1 1 20 20 SER N N 20 104.376 104.376 112.006 -7.630 25973 7004 1 18 . 1 1 20 20 SER HA H 20 4.270 4.270 4.245 0.025 25973 7005 1 18 . 1 1 20 20 SER C C 20 172.006 172.006 175.115 -3.109 25973 7006 1 18 . 1 1 20 20 SER CA C 20 54.697 54.697 59.038 -4.341 25973 7007 1 18 . 1 1 20 20 SER CB C 20 60.491 60.491 63.099 -2.608 25973 7008 1 18 . 1 1 20 20 SER H H 20 7.127 7.127 8.339 -1.212 25973 7009 1 18 . 1 1 21 21 ASP N N 21 121.646 121.646 123.580 -1.934 25973 7010 1 18 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.605 0.109 25973 7011 1 18 . 1 1 21 21 ASP C C 21 172.786 172.786 174.635 -1.849 25973 7012 1 18 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.913 -3.477 25973 7013 1 18 . 1 1 21 21 ASP CB C 21 36.288 36.288 41.705 -5.417 25973 7014 1 18 . 1 1 21 21 ASP H H 21 7.890 7.890 7.809 0.081 25973 7015 1 18 . 1 1 22 22 THR N N 22 109.295 109.295 111.799 -2.504 25973 7016 1 18 . 1 1 22 22 THR HA H 22 4.833 4.833 4.466 0.367 25973 7017 1 18 . 1 1 22 22 THR C C 22 173.653 173.653 176.109 -2.456 25973 7018 1 18 . 1 1 22 22 THR CA C 22 57.439 57.439 59.848 -2.409 25973 7019 1 18 . 1 1 22 22 THR CB C 22 68.925 68.925 71.529 -2.604 25973 7020 1 18 . 1 1 22 22 THR H H 22 8.202 8.202 7.887 0.315 25973 7021 1 18 . 1 1 23 23 ILE N N 23 121.424 121.424 120.046 1.378 25973 7022 1 18 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.868 -0.272 25973 7023 1 18 . 1 1 23 23 ILE C C 23 176.250 176.250 177.423 -1.173 25973 7024 1 18 . 1 1 23 23 ILE CA C 23 59.208 59.208 61.886 -2.678 25973 7025 1 18 . 1 1 23 23 ILE CB C 23 31.692 31.692 36.416 -4.724 25973 7026 1 18 . 1 1 23 23 ILE H H 23 8.450 8.450 8.531 -0.081 25973 7027 1 18 . 1 1 24 24 GLU N N 24 120.359 120.359 121.293 -0.934 25973 7028 1 18 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.925 -0.111 25973 7029 1 18 . 1 1 24 24 GLU C C 24 175.008 175.008 178.789 -3.781 25973 7030 1 18 . 1 1 24 24 GLU CA C 24 56.671 56.671 60.246 -3.575 25973 7031 1 18 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.134 -3.548 25973 7032 1 18 . 1 1 24 24 GLU H H 24 8.802 8.802 7.940 0.862 25973 7033 1 18 . 1 1 25 25 ASN N N 25 119.035 119.035 117.797 1.238 25973 7034 1 18 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.527 -0.134 25973 7035 1 18 . 1 1 25 25 ASN C C 25 175.438 175.438 177.484 -2.046 25973 7036 1 18 . 1 1 25 25 ASN CA C 25 53.655 53.655 55.969 -2.314 25973 7037 1 18 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.646 -2.377 25973 7038 1 18 . 1 1 25 25 ASN H H 25 7.928 7.928 7.659 0.269 25973 7039 1 18 . 1 1 26 26 ALA N N 26 122.272 122.272 123.640 -1.368 25973 7040 1 18 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.953 -0.142 25973 7041 1 18 . 1 1 26 26 ALA C C 26 176.256 176.256 179.466 -3.210 25973 7042 1 18 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.312 -2.266 25973 7043 1 18 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.559 -5.305 25973 7044 1 18 . 1 1 26 26 ALA H H 26 7.949 7.949 7.414 0.535 25973 7045 1 18 . 1 1 27 27 LYS N N 27 117.069 117.069 119.207 -2.138 25973 7046 1 18 . 1 1 27 27 LYS H H 27 8.469 8.469 8.466 0.003 25973 7047 1 18 . 1 1 28 28 ALA HA H 28 4.069 4.069 3.999 0.070 25973 7048 1 18 . 1 1 28 28 ALA C C 28 177.699 177.699 179.240 -1.541 25973 7049 1 18 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.042 -2.475 25973 7050 1 18 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.358 -3.405 25973 7051 1 18 . 1 1 29 29 LYS N N 29 119.644 119.644 119.061 0.583 25973 7052 1 18 . 1 1 29 29 LYS HA H 29 4.101 4.101 4.003 0.098 25973 7053 1 18 . 1 1 29 29 LYS C C 29 177.487 177.487 179.000 -1.513 25973 7054 1 18 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.507 -2.682 25973 7055 1 18 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.529 -2.307 25973 7056 1 18 . 1 1 29 29 LYS H H 29 7.726 7.726 7.578 0.148 25973 7057 1 18 . 1 1 30 30 ILE N N 30 121.905 121.905 120.323 1.582 25973 7058 1 18 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.656 0.526 25973 7059 1 18 . 1 1 30 30 ILE C C 30 175.724 175.724 177.096 -1.372 25973 7060 1 18 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.567 -2.022 25973 7061 1 18 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.994 -3.789 25973 7062 1 18 . 1 1 30 30 ILE H H 30 8.206 8.206 7.936 0.270 25973 7063 1 18 . 1 1 31 31 GLN N N 31 123.624 123.624 120.255 3.369 25973 7064 1 18 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.082 -0.346 25973 7065 1 18 . 1 1 31 31 GLN C C 31 176.118 176.118 177.530 -1.412 25973 7066 1 18 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.146 -2.048 25973 7067 1 18 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.238 -2.688 25973 7068 1 18 . 1 1 31 31 GLN H H 31 8.597 8.597 7.905 0.692 25973 7069 1 18 . 1 1 32 32 ASP N N 32 118.441 118.441 118.766 -0.325 25973 7070 1 18 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.485 -0.171 25973 7071 1 18 . 1 1 32 32 ASP C C 32 173.568 173.568 178.299 -4.731 25973 7072 1 18 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.358 -2.994 25973 7073 1 18 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.942 -5.789 25973 7074 1 18 . 1 1 32 32 ASP H H 32 7.994 7.994 7.749 0.245 25973 7075 1 18 . 1 1 33 33 LYS N N 33 115.568 115.568 118.928 -3.360 25973 7076 1 18 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.235 0.060 25973 7077 1 18 . 1 1 33 33 LYS C C 33 174.935 174.935 178.529 -3.594 25973 7078 1 18 . 1 1 33 33 LYS CA C 33 55.431 55.431 58.517 -3.086 25973 7079 1 18 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.119 -1.306 25973 7080 1 18 . 1 1 33 33 LYS H H 33 7.383 7.383 7.453 -0.070 25973 7081 1 18 . 1 1 34 34 GLU N N 34 113.069 113.069 114.943 -1.874 25973 7082 1 18 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.475 0.144 25973 7083 1 18 . 1 1 34 34 GLU C C 34 174.551 174.551 177.238 -2.687 25973 7084 1 18 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.013 -3.791 25973 7085 1 18 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.246 -1.333 25973 7086 1 18 . 1 1 34 34 GLU H H 34 8.697 8.697 8.425 0.272 25973 7087 1 18 . 1 1 35 35 GLY N N 35 108.734 108.734 108.706 0.028 25973 7088 1 18 . 1 1 35 35 GLY C C 35 170.888 170.888 174.573 -3.685 25973 7089 1 18 . 1 1 35 35 GLY H H 35 8.564 8.564 7.812 0.752 25973 7090 1 18 . 1 1 36 36 ILE N N 36 116.747 116.747 121.876 -5.129 25973 7091 1 18 . 1 1 36 36 ILE H H 36 6.763 6.763 7.689 -0.926 25973 7092 1 18 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.333 -0.341 25973 7093 1 18 . 1 1 38 38 PRO C C 38 175.657 175.657 177.882 -2.225 25973 7094 1 18 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.178 -1.444 25973 7095 1 18 . 1 1 38 38 PRO CB C 38 30.159 30.159 32.162 -2.003 25973 7096 1 18 . 1 1 39 39 ASP N N 39 113.150 113.150 118.422 -5.272 25973 7097 1 18 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.443 -0.038 25973 7098 1 18 . 1 1 39 39 ASP C C 39 173.637 173.637 176.792 -3.155 25973 7099 1 18 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.211 -4.248 25973 7100 1 18 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.195 -5.896 25973 7101 1 18 . 1 1 39 39 ASP H H 39 8.758 8.758 8.480 0.278 25973 7102 1 18 . 1 1 40 40 GLN N N 40 118.365 118.365 115.954 2.411 25973 7103 1 18 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.382 0.019 25973 7104 1 18 . 1 1 40 40 GLN C C 40 172.173 172.173 175.077 -2.904 25973 7105 1 18 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.798 -2.872 25973 7106 1 18 . 1 1 40 40 GLN CB C 40 27.423 27.423 28.816 -1.393 25973 7107 1 18 . 1 1 40 40 GLN H H 40 7.949 7.949 7.980 -0.031 25973 7108 1 18 . 1 1 41 41 GLN N N 41 117.813 117.813 119.242 -1.429 25973 7109 1 18 . 1 1 41 41 GLN C C 41 172.785 172.785 175.427 -2.642 25973 7110 1 18 . 1 1 41 41 GLN H H 41 7.490 7.490 7.327 0.163 25973 7111 1 18 . 1 1 42 42 ARG N N 42 115.761 115.761 125.577 -9.816 25973 7112 1 18 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.653 -0.226 25973 7113 1 18 . 1 1 42 42 ARG C C 42 171.412 171.412 174.033 -2.621 25973 7114 1 18 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.051 -2.739 25973 7115 1 18 . 1 1 42 42 ARG CB C 42 28.635 28.635 32.736 -4.101 25973 7116 1 18 . 1 1 42 42 ARG H H 42 8.631 8.631 8.436 0.195 25973 7117 1 18 . 1 1 43 43 LEU N N 43 124.185 124.185 126.479 -2.294 25973 7118 1 18 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.875 0.419 25973 7119 1 18 . 1 1 43 43 LEU C C 43 172.374 172.374 176.106 -3.732 25973 7120 1 18 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.297 -3.443 25973 7121 1 18 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.544 -0.430 25973 7122 1 18 . 1 1 43 43 LEU H H 43 8.673 8.673 8.661 0.012 25973 7123 1 18 . 1 1 44 44 ILE N N 44 122.386 122.386 123.873 -1.487 25973 7124 1 18 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.449 0.470 25973 7125 1 18 . 1 1 44 44 ILE C C 44 173.248 173.248 174.373 -1.125 25973 7126 1 18 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.187 -3.760 25973 7127 1 18 . 1 1 44 44 ILE CB C 44 39.130 39.130 42.256 -3.126 25973 7128 1 18 . 1 1 44 44 ILE H H 44 8.970 8.970 9.101 -0.131 25973 7129 1 18 . 1 1 45 45 PHE N N 45 125.287 125.287 126.613 -1.326 25973 7130 1 18 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.995 -0.040 25973 7131 1 18 . 1 1 45 45 PHE C C 45 171.645 171.645 175.790 -4.145 25973 7132 1 18 . 1 1 45 45 PHE CA C 45 54.395 54.395 55.953 -1.558 25973 7133 1 18 . 1 1 45 45 PHE CB C 45 41.282 41.282 42.493 -1.211 25973 7134 1 18 . 1 1 45 45 PHE H H 45 8.658 8.658 8.611 0.047 25973 7135 1 18 . 1 1 46 46 ALA N N 46 100.596 100.596 121.977 -21.381 25973 7136 1 18 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.740 -0.114 25973 7137 1 18 . 1 1 46 46 ALA C C 46 174.527 174.527 177.705 -3.178 25973 7138 1 18 . 1 1 46 46 ALA CA C 46 49.877 49.877 53.688 -3.811 25973 7139 1 18 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.636 -3.768 25973 7140 1 18 . 1 1 46 46 ALA H H 46 8.687 8.687 6.483 2.204 25973 7141 1 18 . 1 1 47 47 GLY N N 47 102.825 102.825 103.471 -0.646 25973 7142 1 18 . 1 1 47 47 GLY C C 47 171.138 171.138 174.908 -3.770 25973 7143 1 18 . 1 1 47 47 GLY CA C 47 42.658 42.658 44.456 -1.798 25973 7144 1 18 . 1 1 47 47 GLY H H 47 8.193 8.193 7.732 0.461 25973 7145 1 18 . 1 1 48 48 LYS N N 48 121.451 121.451 118.163 3.288 25973 7146 1 18 . 1 1 48 48 LYS HA H 48 4.542 4.542 3.856 0.686 25973 7147 1 18 . 1 1 48 48 LYS C C 48 171.954 171.954 176.880 -4.926 25973 7148 1 18 . 1 1 48 48 LYS CA C 48 51.653 51.653 57.646 -5.993 25973 7149 1 18 . 1 1 48 48 LYS CB C 48 31.761 31.761 31.340 0.421 25973 7150 1 18 . 1 1 48 48 LYS H H 48 7.888 7.888 7.376 0.512 25973 7151 1 18 . 1 1 49 49 GLN N N 49 121.884 121.884 118.564 3.320 25973 7152 1 18 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.022 0.396 25973 7153 1 18 . 1 1 49 49 GLN C C 49 173.073 173.073 175.587 -2.514 25973 7154 1 18 . 1 1 49 49 GLN CA C 49 52.999 52.999 55.950 -2.951 25973 7155 1 18 . 1 1 49 49 GLN CB C 49 26.041 26.041 29.192 -3.151 25973 7156 1 18 . 1 1 49 49 GLN H H 49 8.521 8.521 7.773 0.748 25973 7157 1 18 . 1 1 50 50 LEU N N 50 125.208 125.208 120.553 4.655 25973 7158 1 18 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.063 -0.117 25973 7159 1 18 . 1 1 50 50 LEU C C 50 173.823 173.823 177.248 -3.425 25973 7160 1 18 . 1 1 50 50 LEU CA C 50 51.582 51.582 55.306 -3.724 25973 7161 1 18 . 1 1 50 50 LEU CB C 50 38.906 38.906 40.162 -1.256 25973 7162 1 18 . 1 1 50 50 LEU H H 50 8.427 8.427 8.253 0.174 25973 7163 1 18 . 1 1 51 51 GLU N N 51 122.400 122.400 124.314 -1.914 25973 7164 1 18 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.459 -0.035 25973 7165 1 18 . 1 1 51 51 GLU C C 51 173.730 173.730 176.139 -2.409 25973 7166 1 18 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.828 -3.007 25973 7167 1 18 . 1 1 51 51 GLU CB C 51 27.076 27.076 31.404 -4.328 25973 7168 1 18 . 1 1 51 51 GLU H H 51 8.333 8.333 8.485 -0.152 25973 7169 1 18 . 1 1 52 52 ASP N N 52 119.615 119.615 122.748 -3.133 25973 7170 1 18 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.677 -0.418 25973 7171 1 18 . 1 1 52 52 ASP C C 52 173.507 173.507 176.600 -3.093 25973 7172 1 18 . 1 1 52 52 ASP CA C 52 53.536 53.536 55.135 -1.599 25973 7173 1 18 . 1 1 52 52 ASP CB C 52 36.441 36.441 41.319 -4.878 25973 7174 1 18 . 1 1 52 52 ASP H H 52 8.490 8.490 8.695 -0.205 25973 7175 1 18 . 1 1 53 53 GLY N N 53 104.158 104.158 106.168 -2.010 25973 7176 1 18 . 1 1 53 53 GLY C C 53 172.296 172.296 174.324 -2.028 25973 7177 1 18 . 1 1 53 53 GLY CA C 53 42.633 42.633 44.694 -2.061 25973 7178 1 18 . 1 1 53 53 GLY H H 53 8.622 8.622 8.262 0.360 25973 7179 1 18 . 1 1 54 54 ARG N N 54 119.010 119.010 120.446 -1.436 25973 7180 1 18 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.549 -0.081 25973 7181 1 18 . 1 1 54 54 ARG C C 54 172.237 172.237 176.741 -4.504 25973 7182 1 18 . 1 1 54 54 ARG CA C 54 51.747 51.747 54.846 -3.099 25973 7183 1 18 . 1 1 54 54 ARG CB C 54 29.572 29.572 30.993 -1.421 25973 7184 1 18 . 1 1 54 54 ARG H H 54 7.397 7.397 8.031 -0.634 25973 7185 1 18 . 1 1 55 55 THR N N 55 106.762 106.762 112.501 -5.739 25973 7186 1 18 . 1 1 55 55 THR HA H 55 4.545 4.545 4.382 0.163 25973 7187 1 18 . 1 1 55 55 THR C C 55 173.492 173.492 176.570 -3.078 25973 7188 1 18 . 1 1 55 55 THR CA C 55 57.122 57.122 61.097 -3.975 25973 7189 1 18 . 1 1 55 55 THR CB C 55 69.087 69.087 70.114 -1.027 25973 7190 1 18 . 1 1 55 55 THR H H 55 7.536 7.536 8.363 -0.827 25973 7191 1 18 . 1 1 56 56 LEU N N 56 119.096 119.096 123.046 -3.950 25973 7192 1 18 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.094 -0.132 25973 7193 1 18 . 1 1 56 56 LEU C C 56 178.169 178.169 179.184 -1.015 25973 7194 1 18 . 1 1 56 56 LEU CA C 56 56.276 56.276 58.022 -1.746 25973 7195 1 18 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.180 -3.935 25973 7196 1 18 . 1 1 56 56 LEU H H 56 8.258 8.258 8.561 -0.303 25973 7197 1 18 . 1 1 57 57 SER N N 57 113.389 113.389 114.157 -0.768 25973 7198 1 18 . 1 1 57 57 SER HA H 57 4.180 4.180 4.178 0.002 25973 7199 1 18 . 1 1 57 57 SER C C 57 175.491 175.491 176.697 -1.206 25973 7200 1 18 . 1 1 57 57 SER CA C 57 57.967 57.967 61.462 -3.495 25973 7201 1 18 . 1 1 57 57 SER CB C 57 59.730 59.730 62.245 -2.515 25973 7202 1 18 . 1 1 57 57 SER H H 57 8.484 8.484 8.433 0.051 25973 7203 1 18 . 1 1 58 58 ASP N N 58 122.795 122.795 121.671 1.124 25973 7204 1 18 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.501 -0.227 25973 7205 1 18 . 1 1 58 58 ASP C C 58 173.529 173.529 177.192 -3.663 25973 7206 1 18 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.056 -3.237 25973 7207 1 18 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.453 -5.793 25973 7208 1 18 . 1 1 58 58 ASP H H 58 7.893 7.893 7.919 -0.026 25973 7209 1 18 . 1 1 59 59 TYR N N 59 116.135 116.135 117.427 -1.292 25973 7210 1 18 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.418 0.205 25973 7211 1 18 . 1 1 59 59 TYR C C 59 171.756 171.756 174.491 -2.735 25973 7212 1 18 . 1 1 59 59 TYR CA C 59 55.546 55.546 58.962 -3.416 25973 7213 1 18 . 1 1 59 59 TYR CB C 59 37.146 37.146 39.159 -2.013 25973 7214 1 18 . 1 1 59 59 TYR H H 59 7.243 7.243 7.532 -0.289 25973 7215 1 18 . 1 1 60 60 ASN N N 60 115.660 115.660 115.856 -0.196 25973 7216 1 18 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.343 -0.062 25973 7217 1 18 . 1 1 60 60 ASN C C 60 171.419 171.419 174.522 -3.103 25973 7218 1 18 . 1 1 60 60 ASN CA C 60 51.470 51.470 54.140 -2.670 25973 7219 1 18 . 1 1 60 60 ASN CB C 60 34.647 34.647 35.796 -1.149 25973 7220 1 18 . 1 1 60 60 ASN H H 60 8.108 8.108 8.178 -0.070 25973 7221 1 18 . 1 1 61 61 ILE N N 61 118.591 118.591 118.968 -0.377 25973 7222 1 18 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.439 -0.180 25973 7223 1 18 . 1 1 61 61 ILE C C 61 171.673 171.673 176.145 -4.472 25973 7224 1 18 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.671 -2.934 25973 7225 1 18 . 1 1 61 61 ILE CB C 61 34.117 34.117 37.116 -2.999 25973 7226 1 18 . 1 1 61 61 ILE H H 61 7.031 7.031 8.048 -1.017 25973 7227 1 18 . 1 1 62 62 GLN N N 62 125.176 125.176 127.192 -2.016 25973 7228 1 18 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.505 -0.037 25973 7229 1 18 . 1 1 62 62 GLN C C 62 172.907 172.907 175.192 -2.285 25973 7230 1 18 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.509 -3.562 25973 7231 1 18 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.464 -1.164 25973 7232 1 18 . 1 1 62 62 GLN H H 62 7.645 7.645 8.330 -0.685 25973 7233 1 18 . 1 1 63 63 LYS N N 63 120.040 120.040 118.845 1.195 25973 7234 1 18 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.285 -0.375 25973 7235 1 18 . 1 1 63 63 LYS C C 63 173.589 173.589 177.067 -3.478 25973 7236 1 18 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.541 -1.249 25973 7237 1 18 . 1 1 63 63 LYS CB C 63 29.920 29.920 33.031 -3.111 25973 7238 1 18 . 1 1 63 63 LYS H H 63 8.416 8.416 8.177 0.239 25973 7239 1 18 . 1 1 64 64 GLU N N 64 113.699 113.699 118.301 -4.602 25973 7240 1 18 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.181 -0.665 25973 7241 1 18 . 1 1 64 64 GLU C C 64 172.267 172.267 175.973 -3.706 25973 7242 1 18 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.610 -2.895 25973 7243 1 18 . 1 1 64 64 GLU CB C 64 22.801 22.801 27.782 -4.981 25973 7244 1 18 . 1 1 64 64 GLU H H 64 9.180 9.180 8.422 0.758 25973 7245 1 18 . 1 1 65 65 SER N N 65 115.564 115.564 114.465 1.099 25973 7246 1 18 . 1 1 65 65 SER HA H 65 4.531 4.531 4.834 -0.303 25973 7247 1 18 . 1 1 65 65 SER C C 65 169.375 169.375 174.391 -5.016 25973 7248 1 18 . 1 1 65 65 SER CA C 65 58.422 58.422 58.291 0.132 25973 7249 1 18 . 1 1 65 65 SER CB C 65 62.153 62.153 65.241 -3.088 25973 7250 1 18 . 1 1 65 65 SER H H 65 7.818 7.818 8.032 -0.214 25973 7251 1 18 . 1 1 66 66 THR N N 66 117.311 117.311 122.391 -5.080 25973 7252 1 18 . 1 1 66 66 THR HA H 66 5.106 5.106 4.754 0.352 25973 7253 1 18 . 1 1 66 66 THR C C 66 171.057 171.057 174.258 -3.201 25973 7254 1 18 . 1 1 66 66 THR CA C 66 59.814 59.814 62.304 -2.490 25973 7255 1 18 . 1 1 66 66 THR CB C 66 67.491 67.491 68.733 -1.242 25973 7256 1 18 . 1 1 66 66 THR H H 66 8.704 8.704 8.935 -0.231 25973 7257 1 18 . 1 1 67 67 LEU N N 67 127.157 127.157 128.135 -0.978 25973 7258 1 18 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.632 0.319 25973 7259 1 18 . 1 1 67 67 LEU C C 67 173.090 173.090 175.508 -2.418 25973 7260 1 18 . 1 1 67 67 LEU CA C 67 51.708 51.708 54.236 -2.528 25973 7261 1 18 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.711 -3.320 25973 7262 1 18 . 1 1 67 67 LEU H H 67 9.318 9.318 9.224 0.094 25973 7263 1 18 . 1 1 68 68 HIS N N 68 118.227 118.227 120.853 -2.626 25973 7264 1 18 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.760 0.410 25973 7265 1 18 . 1 1 68 68 HIS C C 68 170.031 170.031 174.107 -4.076 25973 7266 1 18 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.843 -3.779 25973 7267 1 18 . 1 1 68 68 HIS CB C 68 27.536 27.536 30.317 -2.781 25973 7268 1 18 . 1 1 68 68 HIS H H 68 9.141 9.141 9.501 -0.360 25973 7269 1 18 . 1 1 69 69 LEU N N 69 124.847 124.847 128.577 -3.730 25973 7270 1 18 . 1 1 69 69 LEU HA H 69 5.108 5.108 4.973 0.136 25973 7271 1 18 . 1 1 69 69 LEU C C 69 172.304 172.304 174.814 -2.510 25973 7272 1 18 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.920 -2.274 25973 7273 1 18 . 1 1 69 69 LEU CB C 69 41.603 41.603 42.586 -0.983 25973 7274 1 18 . 1 1 69 69 LEU H H 69 8.332 8.332 8.388 -0.056 25973 7275 1 18 . 1 1 70 70 VAL N N 70 128.173 128.173 128.372 -0.199 25973 7276 1 18 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.450 -0.000 25973 7277 1 18 . 1 1 70 70 VAL C C 70 177.746 177.746 174.500 3.246 25973 7278 1 18 . 1 1 70 70 VAL CA C 70 58.395 58.395 60.040 -1.645 25973 7279 1 18 . 1 1 70 70 VAL CB C 70 31.198 31.198 33.847 -2.649 25973 7280 1 18 . 1 1 70 70 VAL H H 70 9.159 9.159 9.218 -0.059 25973 7281 1 18 . 1 1 71 71 LEU N N 71 124.557 124.557 123.467 1.090 25973 7282 1 18 . 1 1 71 71 LEU HA H 71 4.922 4.922 4.994 -0.072 25973 7283 1 18 . 1 1 71 71 LEU C C 71 174.917 174.917 176.860 -1.943 25973 7284 1 18 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.130 -1.300 25973 7285 1 18 . 1 1 71 71 LEU CB C 71 39.997 39.997 43.794 -3.797 25973 7286 1 18 . 1 1 71 71 LEU H H 71 8.273 8.273 8.303 -0.030 25973 7287 1 18 . 1 1 72 72 ARG N N 72 123.440 123.440 122.812 0.628 25973 7288 1 18 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.542 -0.293 25973 7289 1 18 . 1 1 72 72 ARG C C 72 172.657 172.657 175.109 -2.452 25973 7290 1 18 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.155 -2.409 25973 7291 1 18 . 1 1 72 72 ARG CB C 72 28.058 28.058 30.596 -2.538 25973 7292 1 18 . 1 1 72 72 ARG H H 72 8.532 8.532 8.222 0.310 25973 7293 1 18 . 1 1 73 73 LEU N N 73 124.189 124.189 125.165 -0.976 25973 7294 1 18 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.621 -0.350 25973 7295 1 18 . 1 1 73 73 LEU C C 73 174.691 174.691 176.527 -1.836 25973 7296 1 18 . 1 1 73 73 LEU CA C 73 52.361 52.361 54.509 -2.148 25973 7297 1 18 . 1 1 73 73 LEU CB C 73 39.708 39.708 44.740 -5.032 25973 7298 1 18 . 1 1 73 73 LEU H H 73 8.289 8.289 8.539 -0.250 25973 7299 1 18 . 1 1 74 74 ARG N N 74 121.162 121.162 126.016 -4.854 25973 7300 1 18 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.278 -0.031 25973 7301 1 18 . 1 1 74 74 ARG C C 74 173.901 173.901 176.545 -2.644 25973 7302 1 18 . 1 1 74 74 ARG CA C 74 53.625 53.625 56.426 -2.801 25973 7303 1 18 . 1 1 74 74 ARG CB C 74 28.134 28.134 30.549 -2.416 25973 7304 1 18 . 1 1 74 74 ARG H H 74 8.268 8.268 8.620 -0.352 25973 7305 1 18 . 1 1 75 75 GLY N N 75 110.230 110.230 110.224 0.006 25973 7306 1 18 . 1 1 75 75 GLY C C 75 171.504 171.504 174.142 -2.638 25973 7307 1 18 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.286 -1.882 25973 7308 1 18 . 1 1 75 75 GLY H H 75 8.367 8.367 8.485 -0.118 25973 7309 1 19 . 1 1 2 2 GLN N N 2 124.960 124.960 120.250 4.710 25973 7310 1 19 . 1 1 2 2 GLN HA H 2 5.089 5.089 5.041 0.048 25973 7311 1 19 . 1 1 2 2 GLN C C 2 172.479 172.479 173.398 -0.919 25973 7312 1 19 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.532 -2.212 25973 7313 1 19 . 1 1 2 2 GLN CB C 2 28.181 28.181 32.148 -3.967 25973 7314 1 19 . 1 1 2 2 GLN H H 2 8.807 8.807 8.297 0.510 25973 7315 1 19 . 1 1 3 3 ILE N N 3 116.556 116.556 113.935 2.621 25973 7316 1 19 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.867 -0.689 25973 7317 1 19 . 1 1 3 3 ILE C C 3 169.813 169.813 174.064 -4.251 25973 7318 1 19 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.082 -2.461 25973 7319 1 19 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.518 -2.413 25973 7320 1 19 . 1 1 3 3 ILE H H 3 8.237 8.237 8.599 -0.362 25973 7321 1 19 . 1 1 4 4 PHE N N 4 118.417 118.417 120.371 -1.954 25973 7322 1 19 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.392 0.107 25973 7323 1 19 . 1 1 4 4 PHE C C 4 172.505 172.505 175.133 -2.628 25973 7324 1 19 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.303 -3.479 25973 7325 1 19 . 1 1 4 4 PHE CB C 4 38.890 38.890 41.776 -2.886 25973 7326 1 19 . 1 1 4 4 PHE H H 4 8.675 8.675 8.504 0.171 25973 7327 1 19 . 1 1 5 5 VAL N N 5 120.755 120.755 123.119 -2.364 25973 7328 1 19 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.781 -0.194 25973 7329 1 19 . 1 1 5 5 VAL C C 5 172.070 172.070 174.542 -2.472 25973 7330 1 19 . 1 1 5 5 VAL CA C 5 58.120 58.120 60.709 -2.589 25973 7331 1 19 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.018 -1.970 25973 7332 1 19 . 1 1 5 5 VAL H H 5 9.190 9.190 9.094 0.096 25973 7333 1 19 . 1 1 6 6 LYS N N 6 127.964 127.964 129.320 -1.356 25973 7334 1 19 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.697 0.541 25973 7335 1 19 . 1 1 6 6 LYS C C 6 174.119 174.119 175.458 -1.339 25973 7336 1 19 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.882 -3.011 25973 7337 1 19 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.867 -2.199 25973 7338 1 19 . 1 1 6 6 LYS H H 6 8.758 8.758 9.198 -0.440 25973 7339 1 19 . 1 1 7 7 THR N N 7 115.618 115.618 118.089 -2.471 25973 7340 1 19 . 1 1 7 7 THR HA H 7 4.912 4.912 5.006 -0.094 25973 7341 1 19 . 1 1 7 7 THR C C 7 173.994 173.994 176.399 -2.405 25973 7342 1 19 . 1 1 7 7 THR CA C 7 57.844 57.844 59.003 -1.159 25973 7343 1 19 . 1 1 7 7 THR CB C 7 68.137 68.137 71.754 -3.617 25973 7344 1 19 . 1 1 7 7 THR H H 7 8.573 8.573 8.066 0.507 25973 7345 1 19 . 1 1 8 8 LEU N N 8 122.083 122.083 120.832 1.251 25973 7346 1 19 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.245 -0.036 25973 7347 1 19 . 1 1 8 8 LEU C C 8 176.005 176.005 178.108 -2.103 25973 7348 1 19 . 1 1 8 8 LEU CA C 8 55.656 55.656 57.477 -1.821 25973 7349 1 19 . 1 1 8 8 LEU CB C 8 39.247 39.247 40.941 -1.694 25973 7350 1 19 . 1 1 8 8 LEU H H 8 9.034 9.034 8.933 0.101 25973 7351 1 19 . 1 1 9 9 THR N N 9 105.803 105.803 108.252 -2.449 25973 7352 1 19 . 1 1 9 9 THR HA H 9 4.503 4.503 4.406 0.097 25973 7353 1 19 . 1 1 9 9 THR C C 9 172.624 172.624 176.490 -3.866 25973 7354 1 19 . 1 1 9 9 THR CA C 9 58.961 58.961 61.819 -2.858 25973 7355 1 19 . 1 1 9 9 THR CB C 9 66.541 66.541 69.485 -2.944 25973 7356 1 19 . 1 1 9 9 THR H H 9 7.582 7.582 7.873 -0.291 25973 7357 1 19 . 1 1 10 10 GLY N N 10 109.254 109.254 111.634 -2.380 25973 7358 1 19 . 1 1 10 10 GLY C C 10 171.405 171.405 174.230 -2.825 25973 7359 1 19 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.690 -3.037 25973 7360 1 19 . 1 1 10 10 GLY H H 10 7.770 7.770 8.481 -0.711 25973 7361 1 19 . 1 1 11 11 LYS N N 11 121.278 121.278 123.964 -2.686 25973 7362 1 19 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.082 0.226 25973 7363 1 19 . 1 1 11 11 LYS C C 11 173.489 173.489 175.858 -2.369 25973 7364 1 19 . 1 1 11 11 LYS CA C 11 53.385 53.385 56.546 -3.161 25973 7365 1 19 . 1 1 11 11 LYS CB C 11 30.172 30.172 32.455 -2.283 25973 7366 1 19 . 1 1 11 11 LYS H H 11 7.313 7.313 7.852 -0.539 25973 7367 1 19 . 1 1 12 12 THR N N 12 120.644 120.644 120.603 0.041 25973 7368 1 19 . 1 1 12 12 THR HA H 12 4.972 4.972 4.899 0.073 25973 7369 1 19 . 1 1 12 12 THR C C 12 171.547 171.547 174.787 -3.240 25973 7370 1 19 . 1 1 12 12 THR CA C 12 59.880 59.880 61.875 -1.995 25973 7371 1 19 . 1 1 12 12 THR CB C 12 67.386 67.386 69.473 -2.087 25973 7372 1 19 . 1 1 12 12 THR H H 12 8.659 8.659 8.267 0.392 25973 7373 1 19 . 1 1 13 13 ILE N N 13 125.497 125.497 128.101 -2.604 25973 7374 1 19 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.495 0.043 25973 7375 1 19 . 1 1 13 13 ILE C C 13 172.300 172.300 175.494 -3.194 25973 7376 1 19 . 1 1 13 13 ILE CA C 13 57.114 57.114 59.858 -2.744 25973 7377 1 19 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.674 -0.979 25973 7378 1 19 . 1 1 13 13 ILE H H 13 9.169 9.169 8.801 0.368 25973 7379 1 19 . 1 1 14 14 THR N N 14 120.078 120.078 121.965 -1.887 25973 7380 1 19 . 1 1 14 14 THR HA H 14 4.883 4.883 4.952 -0.069 25973 7381 1 19 . 1 1 14 14 THR C C 14 170.915 170.915 173.882 -2.967 25973 7382 1 19 . 1 1 14 14 THR CA C 14 58.998 58.998 61.285 -2.287 25973 7383 1 19 . 1 1 14 14 THR CB C 14 67.221 67.221 69.127 -1.906 25973 7384 1 19 . 1 1 14 14 THR H H 14 8.596 8.596 8.416 0.180 25973 7385 1 19 . 1 1 15 15 LEU N N 15 124.381 124.381 127.922 -3.541 25973 7386 1 19 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.711 0.045 25973 7387 1 19 . 1 1 15 15 LEU C C 15 172.377 172.377 175.367 -2.990 25973 7388 1 19 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.597 -3.596 25973 7389 1 19 . 1 1 15 15 LEU CB C 15 44.121 44.121 44.863 -0.742 25973 7390 1 19 . 1 1 15 15 LEU H H 15 8.706 8.706 8.598 0.108 25973 7391 1 19 . 1 1 16 16 GLU N N 16 122.156 122.156 122.260 -0.104 25973 7392 1 19 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.660 0.192 25973 7393 1 19 . 1 1 16 16 GLU C C 16 172.785 172.785 175.435 -2.650 25973 7394 1 19 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.928 -4.211 25973 7395 1 19 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.670 -5.438 25973 7396 1 19 . 1 1 16 16 GLU H H 16 8.259 8.259 8.523 -0.264 25973 7397 1 19 . 1 1 17 17 VAL N N 17 115.706 115.706 118.982 -3.276 25973 7398 1 19 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.387 0.246 25973 7399 1 19 . 1 1 17 17 VAL C C 17 171.495 171.495 174.965 -3.470 25973 7400 1 19 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.946 -4.279 25973 7401 1 19 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.793 -1.578 25973 7402 1 19 . 1 1 17 17 VAL H H 17 8.631 8.631 8.154 0.477 25973 7403 1 19 . 1 1 18 18 GLU N N 18 117.702 117.702 121.680 -3.978 25973 7404 1 19 . 1 1 18 18 GLU H H 18 7.705 7.705 8.459 -0.754 25973 7405 1 19 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.453 -0.416 25973 7406 1 19 . 1 1 19 19 PRO C C 19 172.411 172.411 176.382 -3.971 25973 7407 1 19 . 1 1 19 19 PRO CA C 19 62.565 62.565 63.897 -1.331 25973 7408 1 19 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.520 -3.166 25973 7409 1 19 . 1 1 20 20 SER N N 20 104.376 104.376 112.939 -8.563 25973 7410 1 19 . 1 1 20 20 SER HA H 20 4.270 4.270 4.419 -0.149 25973 7411 1 19 . 1 1 20 20 SER C C 20 172.006 172.006 174.925 -2.919 25973 7412 1 19 . 1 1 20 20 SER CA C 20 54.697 54.697 58.510 -3.813 25973 7413 1 19 . 1 1 20 20 SER CB C 20 60.491 60.491 63.907 -3.416 25973 7414 1 19 . 1 1 20 20 SER H H 20 7.127 7.127 7.747 -0.620 25973 7415 1 19 . 1 1 21 21 ASP N N 21 121.646 121.646 122.945 -1.299 25973 7416 1 19 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.646 0.068 25973 7417 1 19 . 1 1 21 21 ASP C C 21 172.786 172.786 176.338 -3.552 25973 7418 1 19 . 1 1 21 21 ASP CA C 21 51.436 51.436 55.285 -3.849 25973 7419 1 19 . 1 1 21 21 ASP CB C 21 36.288 36.288 41.437 -5.149 25973 7420 1 19 . 1 1 21 21 ASP H H 21 7.890 7.890 7.786 0.104 25973 7421 1 19 . 1 1 22 22 THR N N 22 109.295 109.295 111.190 -1.895 25973 7422 1 19 . 1 1 22 22 THR HA H 22 4.833 4.833 4.490 0.343 25973 7423 1 19 . 1 1 22 22 THR C C 22 173.653 173.653 176.634 -2.981 25973 7424 1 19 . 1 1 22 22 THR CA C 22 57.439 57.439 59.959 -2.520 25973 7425 1 19 . 1 1 22 22 THR CB C 22 68.925 68.925 70.768 -1.843 25973 7426 1 19 . 1 1 22 22 THR H H 22 8.202 8.202 8.193 0.009 25973 7427 1 19 . 1 1 23 23 ILE N N 23 121.424 121.424 120.997 0.427 25973 7428 1 19 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.872 -0.276 25973 7429 1 19 . 1 1 23 23 ILE C C 23 176.250 176.250 177.583 -1.333 25973 7430 1 19 . 1 1 23 23 ILE CA C 23 59.208 59.208 63.576 -4.368 25973 7431 1 19 . 1 1 23 23 ILE CB C 23 31.692 31.692 37.274 -5.582 25973 7432 1 19 . 1 1 23 23 ILE H H 23 8.450 8.450 8.559 -0.109 25973 7433 1 19 . 1 1 24 24 GLU N N 24 120.359 120.359 120.588 -0.229 25973 7434 1 19 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.943 -0.129 25973 7435 1 19 . 1 1 24 24 GLU C C 24 175.008 175.008 178.620 -3.612 25973 7436 1 19 . 1 1 24 24 GLU CA C 24 56.671 56.671 59.831 -3.160 25973 7437 1 19 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.218 -3.632 25973 7438 1 19 . 1 1 24 24 GLU H H 24 8.802 8.802 7.953 0.849 25973 7439 1 19 . 1 1 25 25 ASN N N 25 119.035 119.035 117.903 1.132 25973 7440 1 19 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.473 -0.080 25973 7441 1 19 . 1 1 25 25 ASN C C 25 175.438 175.438 177.204 -1.766 25973 7442 1 19 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.016 -2.361 25973 7443 1 19 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.476 -2.207 25973 7444 1 19 . 1 1 25 25 ASN H H 25 7.928 7.928 7.756 0.172 25973 7445 1 19 . 1 1 26 26 ALA N N 26 122.272 122.272 122.585 -0.313 25973 7446 1 19 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.948 -0.137 25973 7447 1 19 . 1 1 26 26 ALA C C 26 176.256 176.256 179.367 -3.111 25973 7448 1 19 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.094 -2.048 25973 7449 1 19 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.436 -5.182 25973 7450 1 19 . 1 1 26 26 ALA H H 26 7.949 7.949 7.658 0.291 25973 7451 1 19 . 1 1 27 27 LYS N N 27 117.069 117.069 118.860 -1.791 25973 7452 1 19 . 1 1 27 27 LYS H H 27 8.469 8.469 7.808 0.661 25973 7453 1 19 . 1 1 28 28 ALA HA H 28 4.069 4.069 3.995 0.074 25973 7454 1 19 . 1 1 28 28 ALA C C 28 177.699 177.699 179.177 -1.478 25973 7455 1 19 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.203 -2.636 25973 7456 1 19 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.351 -3.398 25973 7457 1 19 . 1 1 29 29 LYS N N 29 119.644 119.644 119.436 0.208 25973 7458 1 19 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.966 0.135 25973 7459 1 19 . 1 1 29 29 LYS C C 29 177.487 177.487 179.108 -1.621 25973 7460 1 19 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.466 -2.641 25973 7461 1 19 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.399 -2.177 25973 7462 1 19 . 1 1 29 29 LYS H H 29 7.726 7.726 7.871 -0.145 25973 7463 1 19 . 1 1 30 30 ILE N N 30 121.905 121.905 119.867 2.038 25973 7464 1 19 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.658 0.524 25973 7465 1 19 . 1 1 30 30 ILE C C 30 175.724 175.724 177.615 -1.891 25973 7466 1 19 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.056 -1.511 25973 7467 1 19 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.791 -3.586 25973 7468 1 19 . 1 1 30 30 ILE H H 30 8.206 8.206 7.923 0.283 25973 7469 1 19 . 1 1 31 31 GLN N N 31 123.624 123.624 121.146 2.478 25973 7470 1 19 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.137 -0.401 25973 7471 1 19 . 1 1 31 31 GLN C C 31 176.118 176.118 178.402 -2.284 25973 7472 1 19 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.338 -2.240 25973 7473 1 19 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.404 -2.854 25973 7474 1 19 . 1 1 31 31 GLN H H 31 8.597 8.597 7.710 0.887 25973 7475 1 19 . 1 1 32 32 ASP N N 32 118.441 118.441 118.184 0.257 25973 7476 1 19 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.484 -0.170 25973 7477 1 19 . 1 1 32 32 ASP C C 32 173.568 173.568 177.962 -4.394 25973 7478 1 19 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.248 -2.884 25973 7479 1 19 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.793 -5.640 25973 7480 1 19 . 1 1 32 32 ASP H H 32 7.994 7.994 7.894 0.100 25973 7481 1 19 . 1 1 33 33 LYS N N 33 115.568 115.568 118.812 -3.244 25973 7482 1 19 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.316 -0.021 25973 7483 1 19 . 1 1 33 33 LYS C C 33 174.935 174.935 178.136 -3.201 25973 7484 1 19 . 1 1 33 33 LYS CA C 33 55.431 55.431 58.102 -2.671 25973 7485 1 19 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.557 -1.744 25973 7486 1 19 . 1 1 33 33 LYS H H 33 7.383 7.383 7.493 -0.110 25973 7487 1 19 . 1 1 34 34 GLU N N 34 113.069 113.069 116.039 -2.970 25973 7488 1 19 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.431 0.188 25973 7489 1 19 . 1 1 34 34 GLU C C 34 174.551 174.551 177.400 -2.849 25973 7490 1 19 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.432 -4.210 25973 7491 1 19 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.567 -1.654 25973 7492 1 19 . 1 1 34 34 GLU H H 34 8.697 8.697 8.379 0.318 25973 7493 1 19 . 1 1 35 35 GLY N N 35 108.734 108.734 108.055 0.679 25973 7494 1 19 . 1 1 35 35 GLY C C 35 170.888 170.888 174.426 -3.538 25973 7495 1 19 . 1 1 35 35 GLY H H 35 8.564 8.564 8.311 0.253 25973 7496 1 19 . 1 1 36 36 ILE N N 36 116.747 116.747 122.909 -6.162 25973 7497 1 19 . 1 1 36 36 ILE H H 36 6.763 6.763 7.723 -0.960 25973 7498 1 19 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.492 -0.500 25973 7499 1 19 . 1 1 38 38 PRO C C 38 175.657 175.657 178.153 -2.496 25973 7500 1 19 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.421 -1.687 25973 7501 1 19 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.727 -1.568 25973 7502 1 19 . 1 1 39 39 ASP N N 39 113.150 113.150 116.695 -3.545 25973 7503 1 19 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.398 0.007 25973 7504 1 19 . 1 1 39 39 ASP C C 39 173.637 173.637 176.631 -2.994 25973 7505 1 19 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.158 -4.195 25973 7506 1 19 . 1 1 39 39 ASP CB C 39 34.299 34.299 39.205 -4.905 25973 7507 1 19 . 1 1 39 39 ASP H H 39 8.758 8.758 8.650 0.108 25973 7508 1 19 . 1 1 40 40 GLN N N 40 118.365 118.365 117.416 0.949 25973 7509 1 19 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.482 -0.081 25973 7510 1 19 . 1 1 40 40 GLN C C 40 172.173 172.173 174.936 -2.763 25973 7511 1 19 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.192 -2.266 25973 7512 1 19 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.163 -1.740 25973 7513 1 19 . 1 1 40 40 GLN H H 40 7.949 7.949 7.388 0.561 25973 7514 1 19 . 1 1 41 41 GLN N N 41 117.813 117.813 119.243 -1.430 25973 7515 1 19 . 1 1 41 41 GLN C C 41 172.785 172.785 175.159 -2.374 25973 7516 1 19 . 1 1 41 41 GLN H H 41 7.490 7.490 7.715 -0.225 25973 7517 1 19 . 1 1 42 42 ARG N N 42 115.761 115.761 124.232 -8.471 25973 7518 1 19 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.685 -0.258 25973 7519 1 19 . 1 1 42 42 ARG C C 42 171.412 171.412 174.046 -2.634 25973 7520 1 19 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.147 -2.835 25973 7521 1 19 . 1 1 42 42 ARG CB C 42 28.635 28.635 33.394 -4.759 25973 7522 1 19 . 1 1 42 42 ARG H H 42 8.631 8.631 8.555 0.076 25973 7523 1 19 . 1 1 43 43 LEU N N 43 124.185 124.185 126.558 -2.373 25973 7524 1 19 . 1 1 43 43 LEU HA H 43 5.294 5.294 5.055 0.239 25973 7525 1 19 . 1 1 43 43 LEU C C 43 172.374 172.374 176.154 -3.780 25973 7526 1 19 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.181 -3.327 25973 7527 1 19 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.954 -0.840 25973 7528 1 19 . 1 1 43 43 LEU H H 43 8.673 8.673 8.677 -0.004 25973 7529 1 19 . 1 1 44 44 ILE N N 44 122.386 122.386 124.110 -1.724 25973 7530 1 19 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.197 0.722 25973 7531 1 19 . 1 1 44 44 ILE C C 44 173.248 173.248 174.241 -0.993 25973 7532 1 19 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.511 -4.084 25973 7533 1 19 . 1 1 44 44 ILE CB C 44 39.130 39.130 41.868 -2.738 25973 7534 1 19 . 1 1 44 44 ILE H H 44 8.970 8.970 9.153 -0.183 25973 7535 1 19 . 1 1 45 45 PHE N N 45 125.287 125.287 122.634 2.653 25973 7536 1 19 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.984 -0.029 25973 7537 1 19 . 1 1 45 45 PHE C C 45 171.645 171.645 174.169 -2.524 25973 7538 1 19 . 1 1 45 45 PHE CA C 45 54.395 54.395 57.095 -2.700 25973 7539 1 19 . 1 1 45 45 PHE CB C 45 41.282 41.282 41.010 0.272 25973 7540 1 19 . 1 1 45 45 PHE H H 45 8.658 8.658 7.722 0.936 25973 7541 1 19 . 1 1 46 46 ALA N N 46 100.596 100.596 123.322 -22.726 25973 7542 1 19 . 1 1 46 46 ALA HA H 46 3.626 3.626 4.070 -0.444 25973 7543 1 19 . 1 1 46 46 ALA C C 46 174.527 174.527 177.839 -3.312 25973 7544 1 19 . 1 1 46 46 ALA CA C 46 49.877 49.877 52.279 -2.402 25973 7545 1 19 . 1 1 46 46 ALA CB C 46 13.867 13.867 18.426 -4.559 25973 7546 1 19 . 1 1 46 46 ALA H H 46 8.687 8.687 8.925 -0.238 25973 7547 1 19 . 1 1 47 47 GLY N N 47 102.825 102.825 108.801 -5.976 25973 7548 1 19 . 1 1 47 47 GLY C C 47 171.138 171.138 174.443 -3.305 25973 7549 1 19 . 1 1 47 47 GLY CA C 47 42.658 42.658 45.307 -2.649 25973 7550 1 19 . 1 1 47 47 GLY H H 47 8.193 8.193 8.394 -0.201 25973 7551 1 19 . 1 1 48 48 LYS N N 48 121.451 121.451 124.386 -2.935 25973 7552 1 19 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.173 0.369 25973 7553 1 19 . 1 1 48 48 LYS C C 48 171.954 171.954 176.729 -4.775 25973 7554 1 19 . 1 1 48 48 LYS CA C 48 51.653 51.653 56.826 -5.173 25973 7555 1 19 . 1 1 48 48 LYS CB C 48 31.761 31.761 32.608 -0.847 25973 7556 1 19 . 1 1 48 48 LYS H H 48 7.888 7.888 7.982 -0.094 25973 7557 1 19 . 1 1 49 49 GLN N N 49 121.884 121.884 123.047 -1.163 25973 7558 1 19 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.397 0.021 25973 7559 1 19 . 1 1 49 49 GLN C C 49 173.073 173.073 176.434 -3.361 25973 7560 1 19 . 1 1 49 49 GLN CA C 49 52.999 52.999 54.988 -1.989 25973 7561 1 19 . 1 1 49 49 GLN CB C 49 26.041 26.041 30.140 -4.099 25973 7562 1 19 . 1 1 49 49 GLN H H 49 8.521 8.521 8.401 0.120 25973 7563 1 19 . 1 1 50 50 LEU N N 50 125.208 125.208 122.317 2.891 25973 7564 1 19 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.295 -0.349 25973 7565 1 19 . 1 1 50 50 LEU C C 50 173.823 173.823 176.471 -2.648 25973 7566 1 19 . 1 1 50 50 LEU CA C 50 51.582 51.582 55.052 -3.470 25973 7567 1 19 . 1 1 50 50 LEU CB C 50 38.906 38.906 40.128 -1.222 25973 7568 1 19 . 1 1 50 50 LEU H H 50 8.427 8.427 8.435 -0.008 25973 7569 1 19 . 1 1 51 51 GLU N N 51 122.400 122.400 123.825 -1.425 25973 7570 1 19 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.343 0.081 25973 7571 1 19 . 1 1 51 51 GLU C C 51 173.730 173.730 176.730 -3.000 25973 7572 1 19 . 1 1 51 51 GLU CA C 51 52.821 52.821 56.074 -3.252 25973 7573 1 19 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.719 -3.643 25973 7574 1 19 . 1 1 51 51 GLU H H 51 8.333 8.333 7.934 0.399 25973 7575 1 19 . 1 1 52 52 ASP N N 52 119.615 119.615 120.182 -0.567 25973 7576 1 19 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.481 -0.222 25973 7577 1 19 . 1 1 52 52 ASP C C 52 173.507 173.507 176.967 -3.460 25973 7578 1 19 . 1 1 52 52 ASP CA C 52 53.536 53.536 55.114 -1.578 25973 7579 1 19 . 1 1 52 52 ASP CB C 52 36.441 36.441 41.053 -4.612 25973 7580 1 19 . 1 1 52 52 ASP H H 52 8.490 8.490 8.470 0.020 25973 7581 1 19 . 1 1 53 53 GLY N N 53 104.158 104.158 105.640 -1.482 25973 7582 1 19 . 1 1 53 53 GLY C C 53 172.296 172.296 174.216 -1.920 25973 7583 1 19 . 1 1 53 53 GLY CA C 53 42.633 42.633 44.578 -1.945 25973 7584 1 19 . 1 1 53 53 GLY H H 53 8.622 8.622 7.781 0.841 25973 7585 1 19 . 1 1 54 54 ARG N N 54 119.010 119.010 120.370 -1.360 25973 7586 1 19 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.492 -0.024 25973 7587 1 19 . 1 1 54 54 ARG C C 54 172.237 172.237 176.241 -4.004 25973 7588 1 19 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.648 -3.901 25973 7589 1 19 . 1 1 54 54 ARG CB C 54 29.572 29.572 30.913 -1.341 25973 7590 1 19 . 1 1 54 54 ARG H H 54 7.397 7.397 8.116 -0.719 25973 7591 1 19 . 1 1 55 55 THR N N 55 106.762 106.762 112.420 -5.658 25973 7592 1 19 . 1 1 55 55 THR HA H 55 4.545 4.545 4.593 -0.048 25973 7593 1 19 . 1 1 55 55 THR C C 55 173.492 173.492 175.912 -2.420 25973 7594 1 19 . 1 1 55 55 THR CA C 55 57.122 57.122 60.796 -3.674 25973 7595 1 19 . 1 1 55 55 THR CB C 55 69.087 69.087 69.936 -0.849 25973 7596 1 19 . 1 1 55 55 THR H H 55 7.536 7.536 8.038 -0.502 25973 7597 1 19 . 1 1 56 56 LEU N N 56 119.096 119.096 122.316 -3.220 25973 7598 1 19 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.256 -0.294 25973 7599 1 19 . 1 1 56 56 LEU C C 56 178.169 178.169 179.379 -1.210 25973 7600 1 19 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.574 -1.298 25973 7601 1 19 . 1 1 56 56 LEU CB C 56 37.245 37.245 40.615 -3.370 25973 7602 1 19 . 1 1 56 56 LEU H H 56 8.258 8.258 8.608 -0.350 25973 7603 1 19 . 1 1 57 57 SER N N 57 113.389 113.389 114.663 -1.274 25973 7604 1 19 . 1 1 57 57 SER HA H 57 4.180 4.180 4.226 -0.046 25973 7605 1 19 . 1 1 57 57 SER C C 57 175.491 175.491 176.161 -0.670 25973 7606 1 19 . 1 1 57 57 SER CA C 57 57.967 57.967 61.505 -3.538 25973 7607 1 19 . 1 1 57 57 SER CB C 57 59.730 59.730 62.797 -3.067 25973 7608 1 19 . 1 1 57 57 SER H H 57 8.484 8.484 8.593 -0.109 25973 7609 1 19 . 1 1 58 58 ASP N N 58 122.795 122.795 121.724 1.071 25973 7610 1 19 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.457 -0.183 25973 7611 1 19 . 1 1 58 58 ASP C C 58 173.529 173.529 177.132 -3.603 25973 7612 1 19 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.277 -3.458 25973 7613 1 19 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.958 -6.298 25973 7614 1 19 . 1 1 58 58 ASP H H 58 7.893 7.893 7.840 0.053 25973 7615 1 19 . 1 1 59 59 TYR N N 59 116.135 116.135 118.071 -1.936 25973 7616 1 19 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.418 0.205 25973 7617 1 19 . 1 1 59 59 TYR C C 59 171.756 171.756 175.555 -3.799 25973 7618 1 19 . 1 1 59 59 TYR CA C 59 55.546 55.546 59.228 -3.682 25973 7619 1 19 . 1 1 59 59 TYR CB C 59 37.146 37.146 39.263 -2.117 25973 7620 1 19 . 1 1 59 59 TYR H H 59 7.243 7.243 7.545 -0.302 25973 7621 1 19 . 1 1 60 60 ASN N N 60 115.660 115.660 116.863 -1.203 25973 7622 1 19 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.385 -0.104 25973 7623 1 19 . 1 1 60 60 ASN C C 60 171.419 171.419 174.464 -3.045 25973 7624 1 19 . 1 1 60 60 ASN CA C 60 51.470 51.470 54.056 -2.586 25973 7625 1 19 . 1 1 60 60 ASN CB C 60 34.647 34.647 36.983 -2.336 25973 7626 1 19 . 1 1 60 60 ASN H H 60 8.108 8.108 8.128 -0.020 25973 7627 1 19 . 1 1 61 61 ILE N N 61 118.591 118.591 119.435 -0.844 25973 7628 1 19 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.792 -0.533 25973 7629 1 19 . 1 1 61 61 ILE C C 61 171.673 171.673 176.207 -4.534 25973 7630 1 19 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.332 -2.595 25973 7631 1 19 . 1 1 61 61 ILE CB C 61 34.117 34.117 36.791 -2.674 25973 7632 1 19 . 1 1 61 61 ILE H H 61 7.031 7.031 8.281 -1.250 25973 7633 1 19 . 1 1 62 62 GLN N N 62 125.176 125.176 126.586 -1.410 25973 7634 1 19 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.554 -0.086 25973 7635 1 19 . 1 1 62 62 GLN C C 62 172.907 172.907 175.645 -2.738 25973 7636 1 19 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.643 -3.696 25973 7637 1 19 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.667 -1.367 25973 7638 1 19 . 1 1 62 62 GLN H H 62 7.645 7.645 8.495 -0.850 25973 7639 1 19 . 1 1 63 63 LYS N N 63 120.040 120.040 118.413 1.627 25973 7640 1 19 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.165 -0.255 25973 7641 1 19 . 1 1 63 63 LYS C C 63 173.589 173.589 176.741 -3.152 25973 7642 1 19 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.204 -0.912 25973 7643 1 19 . 1 1 63 63 LYS CB C 63 29.920 29.920 33.029 -3.109 25973 7644 1 19 . 1 1 63 63 LYS H H 63 8.416 8.416 8.214 0.202 25973 7645 1 19 . 1 1 64 64 GLU N N 64 113.699 113.699 114.818 -1.119 25973 7646 1 19 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.104 -0.588 25973 7647 1 19 . 1 1 64 64 GLU C C 64 172.267 172.267 175.973 -3.706 25973 7648 1 19 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.901 -3.186 25973 7649 1 19 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.362 -5.561 25973 7650 1 19 . 1 1 64 64 GLU H H 64 9.180 9.180 8.638 0.542 25973 7651 1 19 . 1 1 65 65 SER N N 65 115.564 115.564 114.811 0.753 25973 7652 1 19 . 1 1 65 65 SER HA H 65 4.531 4.531 4.429 0.102 25973 7653 1 19 . 1 1 65 65 SER C C 65 169.375 169.375 174.442 -5.067 25973 7654 1 19 . 1 1 65 65 SER CA C 65 58.422 58.422 59.459 -1.037 25973 7655 1 19 . 1 1 65 65 SER CB C 65 62.153 62.153 63.975 -1.822 25973 7656 1 19 . 1 1 65 65 SER H H 65 7.818 7.818 7.510 0.308 25973 7657 1 19 . 1 1 66 66 THR N N 66 117.311 117.311 121.698 -4.387 25973 7658 1 19 . 1 1 66 66 THR HA H 66 5.106 5.106 4.461 0.645 25973 7659 1 19 . 1 1 66 66 THR C C 66 171.057 171.057 173.730 -2.673 25973 7660 1 19 . 1 1 66 66 THR CA C 66 59.814 59.814 62.335 -2.521 25973 7661 1 19 . 1 1 66 66 THR CB C 66 67.491 67.491 69.212 -1.721 25973 7662 1 19 . 1 1 66 66 THR H H 66 8.704 8.704 8.461 0.243 25973 7663 1 19 . 1 1 67 67 LEU N N 67 127.157 127.157 129.028 -1.871 25973 7664 1 19 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.525 0.426 25973 7665 1 19 . 1 1 67 67 LEU C C 67 173.090 173.090 175.328 -2.238 25973 7666 1 19 . 1 1 67 67 LEU CA C 67 51.708 51.708 53.827 -2.119 25973 7667 1 19 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.075 -2.683 25973 7668 1 19 . 1 1 67 67 LEU H H 67 9.318 9.318 9.196 0.122 25973 7669 1 19 . 1 1 68 68 HIS N N 68 118.227 118.227 123.213 -4.986 25973 7670 1 19 . 1 1 68 68 HIS HA H 68 5.170 5.170 5.023 0.147 25973 7671 1 19 . 1 1 68 68 HIS C C 68 170.031 170.031 174.463 -4.432 25973 7672 1 19 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.650 -3.586 25973 7673 1 19 . 1 1 68 68 HIS CB C 68 27.536 27.536 30.122 -2.586 25973 7674 1 19 . 1 1 68 68 HIS H H 68 9.141 9.141 9.489 -0.348 25973 7675 1 19 . 1 1 69 69 LEU N N 69 124.847 124.847 127.714 -2.867 25973 7676 1 19 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.291 -0.183 25973 7677 1 19 . 1 1 69 69 LEU C C 69 172.304 172.304 175.136 -2.832 25973 7678 1 19 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.944 -2.298 25973 7679 1 19 . 1 1 69 69 LEU CB C 69 41.603 41.603 43.835 -2.232 25973 7680 1 19 . 1 1 69 69 LEU H H 69 8.332 8.332 8.785 -0.453 25973 7681 1 19 . 1 1 70 70 VAL N N 70 128.173 128.173 126.487 1.686 25973 7682 1 19 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.463 -0.013 25973 7683 1 19 . 1 1 70 70 VAL C C 70 177.746 177.746 174.342 3.404 25973 7684 1 19 . 1 1 70 70 VAL CA C 70 58.395 58.395 60.656 -2.261 25973 7685 1 19 . 1 1 70 70 VAL CB C 70 31.198 31.198 35.353 -4.155 25973 7686 1 19 . 1 1 70 70 VAL H H 70 9.159 9.159 9.144 0.015 25973 7687 1 19 . 1 1 71 71 LEU N N 71 124.557 124.557 124.002 0.555 25973 7688 1 19 . 1 1 71 71 LEU HA H 71 4.922 4.922 5.035 -0.113 25973 7689 1 19 . 1 1 71 71 LEU C C 71 174.917 174.917 176.787 -1.870 25973 7690 1 19 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.355 -1.525 25973 7691 1 19 . 1 1 71 71 LEU CB C 71 39.997 39.997 42.720 -2.723 25973 7692 1 19 . 1 1 71 71 LEU H H 71 8.273 8.273 8.478 -0.205 25973 7693 1 19 . 1 1 72 72 ARG N N 72 123.440 123.440 125.075 -1.635 25973 7694 1 19 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.477 -0.228 25973 7695 1 19 . 1 1 72 72 ARG C C 72 172.657 172.657 175.681 -3.024 25973 7696 1 19 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.183 -2.437 25973 7697 1 19 . 1 1 72 72 ARG CB C 72 28.058 28.058 30.520 -2.462 25973 7698 1 19 . 1 1 72 72 ARG H H 72 8.532 8.532 8.031 0.501 25973 7699 1 19 . 1 1 73 73 LEU N N 73 124.189 124.189 123.540 0.649 25973 7700 1 19 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.001 0.270 25973 7701 1 19 . 1 1 73 73 LEU C C 73 174.691 174.691 175.400 -0.709 25973 7702 1 19 . 1 1 73 73 LEU CA C 73 52.361 52.361 54.927 -2.566 25973 7703 1 19 . 1 1 73 73 LEU CB C 73 39.708 39.708 41.769 -2.061 25973 7704 1 19 . 1 1 73 73 LEU H H 73 8.289 8.289 8.622 -0.333 25973 7705 1 19 . 1 1 74 74 ARG N N 74 121.162 121.162 123.483 -2.321 25973 7706 1 19 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.317 -0.070 25973 7707 1 19 . 1 1 74 74 ARG C C 74 173.901 173.901 176.614 -2.713 25973 7708 1 19 . 1 1 74 74 ARG CA C 74 53.625 53.625 56.307 -2.682 25973 7709 1 19 . 1 1 74 74 ARG CB C 74 28.134 28.134 30.732 -2.598 25973 7710 1 19 . 1 1 74 74 ARG H H 74 8.268 8.268 8.151 0.117 25973 7711 1 19 . 1 1 75 75 GLY N N 75 110.230 110.230 112.769 -2.539 25973 7712 1 19 . 1 1 75 75 GLY C C 75 171.504 171.504 173.493 -1.989 25973 7713 1 19 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.465 -2.061 25973 7714 1 19 . 1 1 75 75 GLY H H 75 8.367 8.367 8.230 0.137 25973 7715 1 20 . 1 1 2 2 GLN N N 2 124.960 124.960 121.071 3.889 25973 7716 1 20 . 1 1 2 2 GLN HA H 2 5.089 5.089 5.036 0.053 25973 7717 1 20 . 1 1 2 2 GLN C C 2 172.479 172.479 174.523 -2.044 25973 7718 1 20 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.387 -2.067 25973 7719 1 20 . 1 1 2 2 GLN CB C 2 28.181 28.181 31.768 -3.587 25973 7720 1 20 . 1 1 2 2 GLN H H 2 8.807 8.807 8.702 0.105 25973 7721 1 20 . 1 1 3 3 ILE N N 3 116.556 116.556 114.905 1.651 25973 7722 1 20 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.413 -0.235 25973 7723 1 20 . 1 1 3 3 ILE C C 3 169.813 169.813 173.757 -3.944 25973 7724 1 20 . 1 1 3 3 ILE CA C 3 56.621 56.621 60.229 -3.608 25973 7725 1 20 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.503 -2.398 25973 7726 1 20 . 1 1 3 3 ILE H H 3 8.237 8.237 8.604 -0.367 25973 7727 1 20 . 1 1 4 4 PHE N N 4 118.417 118.417 121.136 -2.719 25973 7728 1 20 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.487 0.012 25973 7729 1 20 . 1 1 4 4 PHE C C 4 172.505 172.505 175.280 -2.775 25973 7730 1 20 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.374 -3.550 25973 7731 1 20 . 1 1 4 4 PHE CB C 4 38.890 38.890 42.024 -3.134 25973 7732 1 20 . 1 1 4 4 PHE H H 4 8.675 8.675 8.395 0.280 25973 7733 1 20 . 1 1 5 5 VAL N N 5 120.755 120.755 122.825 -2.070 25973 7734 1 20 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.693 -0.106 25973 7735 1 20 . 1 1 5 5 VAL C C 5 172.070 172.070 175.134 -3.064 25973 7736 1 20 . 1 1 5 5 VAL CA C 5 58.120 58.120 60.798 -2.678 25973 7737 1 20 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.169 -2.121 25973 7738 1 20 . 1 1 5 5 VAL H H 5 9.190 9.190 9.115 0.075 25973 7739 1 20 . 1 1 6 6 LYS N N 6 127.964 127.964 128.312 -0.348 25973 7740 1 20 . 1 1 6 6 LYS HA H 6 5.238 5.238 5.068 0.170 25973 7741 1 20 . 1 1 6 6 LYS C C 6 174.119 174.119 176.711 -2.592 25973 7742 1 20 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.413 -2.542 25973 7743 1 20 . 1 1 6 6 LYS CB C 6 32.668 32.668 33.800 -1.133 25973 7744 1 20 . 1 1 6 6 LYS H H 6 8.758 8.758 9.155 -0.397 25973 7745 1 20 . 1 1 7 7 THR N N 7 115.618 115.618 116.480 -0.862 25973 7746 1 20 . 1 1 7 7 THR HA H 7 4.912 4.912 4.639 0.273 25973 7747 1 20 . 1 1 7 7 THR C C 7 173.994 173.994 176.238 -2.244 25973 7748 1 20 . 1 1 7 7 THR CA C 7 57.844 57.844 60.099 -2.255 25973 7749 1 20 . 1 1 7 7 THR CB C 7 68.137 68.137 70.777 -2.640 25973 7750 1 20 . 1 1 7 7 THR H H 7 8.573 8.573 8.453 0.120 25973 7751 1 20 . 1 1 8 8 LEU N N 8 122.083 122.083 120.202 1.881 25973 7752 1 20 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.452 -0.243 25973 7753 1 20 . 1 1 8 8 LEU C C 8 176.005 176.005 178.293 -2.288 25973 7754 1 20 . 1 1 8 8 LEU CA C 8 55.656 55.656 57.103 -1.447 25973 7755 1 20 . 1 1 8 8 LEU CB C 8 39.247 39.247 40.763 -1.516 25973 7756 1 20 . 1 1 8 8 LEU H H 8 9.034 9.034 8.815 0.219 25973 7757 1 20 . 1 1 9 9 THR N N 9 105.803 105.803 109.399 -3.596 25973 7758 1 20 . 1 1 9 9 THR HA H 9 4.503 4.503 4.440 0.063 25973 7759 1 20 . 1 1 9 9 THR C C 9 172.624 172.624 176.070 -3.446 25973 7760 1 20 . 1 1 9 9 THR CA C 9 58.961 58.961 61.114 -2.153 25973 7761 1 20 . 1 1 9 9 THR CB C 9 66.541 66.541 69.134 -2.593 25973 7762 1 20 . 1 1 9 9 THR H H 9 7.582 7.582 7.576 0.006 25973 7763 1 20 . 1 1 10 10 GLY N N 10 109.254 109.254 110.831 -1.577 25973 7764 1 20 . 1 1 10 10 GLY C C 10 171.405 171.405 174.987 -3.582 25973 7765 1 20 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.309 -2.656 25973 7766 1 20 . 1 1 10 10 GLY H H 10 7.770 7.770 7.547 0.223 25973 7767 1 20 . 1 1 11 11 LYS N N 11 121.278 121.278 122.806 -1.528 25973 7768 1 20 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.126 0.182 25973 7769 1 20 . 1 1 11 11 LYS C C 11 173.489 173.489 175.739 -2.250 25973 7770 1 20 . 1 1 11 11 LYS CA C 11 53.385 53.385 56.895 -3.510 25973 7771 1 20 . 1 1 11 11 LYS CB C 11 30.172 30.172 33.090 -2.918 25973 7772 1 20 . 1 1 11 11 LYS H H 11 7.313 7.313 7.284 0.029 25973 7773 1 20 . 1 1 12 12 THR N N 12 120.644 120.644 120.354 0.290 25973 7774 1 20 . 1 1 12 12 THR HA H 12 4.972 4.972 5.091 -0.119 25973 7775 1 20 . 1 1 12 12 THR C C 12 171.547 171.547 174.253 -2.706 25973 7776 1 20 . 1 1 12 12 THR CA C 12 59.880 59.880 61.207 -1.327 25973 7777 1 20 . 1 1 12 12 THR CB C 12 67.386 67.386 69.499 -2.113 25973 7778 1 20 . 1 1 12 12 THR H H 12 8.659 8.659 8.274 0.385 25973 7779 1 20 . 1 1 13 13 ILE N N 13 125.497 125.497 127.844 -2.347 25973 7780 1 20 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.524 0.014 25973 7781 1 20 . 1 1 13 13 ILE C C 13 172.300 172.300 175.082 -2.782 25973 7782 1 20 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.115 -3.001 25973 7783 1 20 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.812 -1.117 25973 7784 1 20 . 1 1 13 13 ILE H H 13 9.169 9.169 9.065 0.104 25973 7785 1 20 . 1 1 14 14 THR N N 14 120.078 120.078 122.214 -2.136 25973 7786 1 20 . 1 1 14 14 THR HA H 14 4.883 4.883 4.935 -0.052 25973 7787 1 20 . 1 1 14 14 THR C C 14 170.915 170.915 173.860 -2.945 25973 7788 1 20 . 1 1 14 14 THR CA C 14 58.998 58.998 61.617 -2.619 25973 7789 1 20 . 1 1 14 14 THR CB C 14 67.221 67.221 69.377 -2.156 25973 7790 1 20 . 1 1 14 14 THR H H 14 8.596 8.596 8.445 0.151 25973 7791 1 20 . 1 1 15 15 LEU N N 15 124.381 124.381 128.379 -3.998 25973 7792 1 20 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.689 0.067 25973 7793 1 20 . 1 1 15 15 LEU C C 15 172.377 172.377 175.284 -2.907 25973 7794 1 20 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.733 -3.732 25973 7795 1 20 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.967 -1.845 25973 7796 1 20 . 1 1 15 15 LEU H H 15 8.706 8.706 8.607 0.099 25973 7797 1 20 . 1 1 16 16 GLU N N 16 122.156 122.156 121.774 0.382 25973 7798 1 20 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.666 0.186 25973 7799 1 20 . 1 1 16 16 GLU C C 16 172.785 172.785 175.832 -3.047 25973 7800 1 20 . 1 1 16 16 GLU CA C 16 51.717 51.717 56.226 -4.509 25973 7801 1 20 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.730 -5.498 25973 7802 1 20 . 1 1 16 16 GLU H H 16 8.259 8.259 8.632 -0.373 25973 7803 1 20 . 1 1 17 17 VAL N N 17 115.706 115.706 120.381 -4.675 25973 7804 1 20 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.496 0.137 25973 7805 1 20 . 1 1 17 17 VAL C C 17 171.495 171.495 174.460 -2.965 25973 7806 1 20 . 1 1 17 17 VAL CA C 17 55.667 55.667 60.536 -4.869 25973 7807 1 20 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.926 -1.711 25973 7808 1 20 . 1 1 17 17 VAL H H 17 8.631 8.631 7.988 0.643 25973 7809 1 20 . 1 1 18 18 GLU N N 18 117.702 117.702 120.997 -3.295 25973 7810 1 20 . 1 1 18 18 GLU H H 18 7.705 7.705 8.406 -0.701 25973 7811 1 20 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.270 -0.233 25973 7812 1 20 . 1 1 19 19 PRO C C 19 172.411 172.411 176.802 -4.391 25973 7813 1 20 . 1 1 19 19 PRO CA C 19 62.565 62.565 64.998 -2.433 25973 7814 1 20 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.158 -2.804 25973 7815 1 20 . 1 1 20 20 SER N N 20 104.376 104.376 111.661 -7.285 25973 7816 1 20 . 1 1 20 20 SER HA H 20 4.270 4.270 4.250 0.020 25973 7817 1 20 . 1 1 20 20 SER C C 20 172.006 172.006 175.054 -3.048 25973 7818 1 20 . 1 1 20 20 SER CA C 20 54.697 54.697 58.797 -4.100 25973 7819 1 20 . 1 1 20 20 SER CB C 20 60.491 60.491 63.225 -2.734 25973 7820 1 20 . 1 1 20 20 SER H H 20 7.127 7.127 7.763 -0.636 25973 7821 1 20 . 1 1 21 21 ASP N N 21 121.646 121.646 123.250 -1.604 25973 7822 1 20 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.742 -0.028 25973 7823 1 20 . 1 1 21 21 ASP C C 21 172.786 172.786 175.425 -2.639 25973 7824 1 20 . 1 1 21 21 ASP CA C 21 51.436 51.436 55.017 -3.581 25973 7825 1 20 . 1 1 21 21 ASP CB C 21 36.288 36.288 42.082 -5.794 25973 7826 1 20 . 1 1 21 21 ASP H H 21 7.890 7.890 7.997 -0.107 25973 7827 1 20 . 1 1 22 22 THR N N 22 109.295 109.295 113.107 -3.812 25973 7828 1 20 . 1 1 22 22 THR HA H 22 4.833 4.833 4.521 0.312 25973 7829 1 20 . 1 1 22 22 THR C C 22 173.653 173.653 176.234 -2.581 25973 7830 1 20 . 1 1 22 22 THR CA C 22 57.439 57.439 59.934 -2.495 25973 7831 1 20 . 1 1 22 22 THR CB C 22 68.925 68.925 71.143 -2.218 25973 7832 1 20 . 1 1 22 22 THR H H 22 8.202 8.202 7.960 0.242 25973 7833 1 20 . 1 1 23 23 ILE N N 23 121.424 121.424 121.054 0.370 25973 7834 1 20 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.788 -0.192 25973 7835 1 20 . 1 1 23 23 ILE C C 23 176.250 176.250 177.780 -1.530 25973 7836 1 20 . 1 1 23 23 ILE CA C 23 59.208 59.208 62.728 -3.520 25973 7837 1 20 . 1 1 23 23 ILE CB C 23 31.692 31.692 36.367 -4.675 25973 7838 1 20 . 1 1 23 23 ILE H H 23 8.450 8.450 8.586 -0.136 25973 7839 1 20 . 1 1 24 24 GLU N N 24 120.359 120.359 121.299 -0.940 25973 7840 1 20 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.891 -0.077 25973 7841 1 20 . 1 1 24 24 GLU C C 24 175.008 175.008 178.905 -3.897 25973 7842 1 20 . 1 1 24 24 GLU CA C 24 56.671 56.671 60.034 -3.363 25973 7843 1 20 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.353 -3.767 25973 7844 1 20 . 1 1 24 24 GLU H H 24 8.802 8.802 7.970 0.832 25973 7845 1 20 . 1 1 25 25 ASN N N 25 119.035 119.035 117.823 1.212 25973 7846 1 20 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.526 -0.133 25973 7847 1 20 . 1 1 25 25 ASN C C 25 175.438 175.438 177.551 -2.113 25973 7848 1 20 . 1 1 25 25 ASN CA C 25 53.655 53.655 55.836 -2.181 25973 7849 1 20 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.526 -2.256 25973 7850 1 20 . 1 1 25 25 ASN H H 25 7.928 7.928 7.939 -0.011 25973 7851 1 20 . 1 1 26 26 ALA N N 26 122.272 122.272 123.309 -1.037 25973 7852 1 20 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.938 -0.127 25973 7853 1 20 . 1 1 26 26 ALA C C 26 176.256 176.256 179.509 -3.253 25973 7854 1 20 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.204 -2.158 25973 7855 1 20 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.431 -5.177 25973 7856 1 20 . 1 1 26 26 ALA H H 26 7.949 7.949 7.574 0.375 25973 7857 1 20 . 1 1 27 27 LYS N N 27 117.069 117.069 119.065 -1.996 25973 7858 1 20 . 1 1 27 27 LYS H H 27 8.469 8.469 8.405 0.064 25973 7859 1 20 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.021 0.048 25973 7860 1 20 . 1 1 28 28 ALA C C 28 177.699 177.699 179.328 -1.629 25973 7861 1 20 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.249 -2.682 25973 7862 1 20 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.268 -3.315 25973 7863 1 20 . 1 1 29 29 LYS N N 29 119.644 119.644 118.976 0.668 25973 7864 1 20 . 1 1 29 29 LYS HA H 29 4.101 4.101 4.003 0.098 25973 7865 1 20 . 1 1 29 29 LYS C C 29 177.487 177.487 179.137 -1.650 25973 7866 1 20 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.288 -2.463 25973 7867 1 20 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.439 -2.217 25973 7868 1 20 . 1 1 29 29 LYS H H 29 7.726 7.726 7.881 -0.155 25973 7869 1 20 . 1 1 30 30 ILE N N 30 121.905 121.905 120.371 1.534 25973 7870 1 20 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.671 0.511 25973 7871 1 20 . 1 1 30 30 ILE C C 30 175.724 175.724 177.514 -1.790 25973 7872 1 20 . 1 1 30 30 ILE CA C 30 63.545 63.545 64.954 -1.409 25973 7873 1 20 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.859 -3.654 25973 7874 1 20 . 1 1 30 30 ILE H H 30 8.206 8.206 8.051 0.155 25973 7875 1 20 . 1 1 31 31 GLN N N 31 123.624 123.624 121.338 2.286 25973 7876 1 20 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.124 -0.388 25973 7877 1 20 . 1 1 31 31 GLN C C 31 176.118 176.118 178.446 -2.328 25973 7878 1 20 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.078 -1.980 25973 7879 1 20 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.105 -2.555 25973 7880 1 20 . 1 1 31 31 GLN H H 31 8.597 8.597 7.832 0.765 25973 7881 1 20 . 1 1 32 32 ASP N N 32 118.441 118.441 119.367 -0.926 25973 7882 1 20 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.459 -0.145 25973 7883 1 20 . 1 1 32 32 ASP C C 32 173.568 173.568 177.118 -3.550 25973 7884 1 20 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.687 -3.323 25973 7885 1 20 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.571 -5.418 25973 7886 1 20 . 1 1 32 32 ASP H H 32 7.994 7.994 7.887 0.107 25973 7887 1 20 . 1 1 33 33 LYS N N 33 115.568 115.568 118.104 -2.536 25973 7888 1 20 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.344 -0.049 25973 7889 1 20 . 1 1 33 33 LYS C C 33 174.935 174.935 177.332 -2.397 25973 7890 1 20 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.757 -2.326 25973 7891 1 20 . 1 1 33 33 LYS CB C 33 31.813 31.813 32.945 -1.132 25973 7892 1 20 . 1 1 33 33 LYS H H 33 7.383 7.383 7.624 -0.241 25973 7893 1 20 . 1 1 34 34 GLU N N 34 113.069 113.069 115.797 -2.728 25973 7894 1 20 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.452 0.167 25973 7895 1 20 . 1 1 34 34 GLU C C 34 174.551 174.551 177.405 -2.854 25973 7896 1 20 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.117 -3.894 25973 7897 1 20 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.406 -1.493 25973 7898 1 20 . 1 1 34 34 GLU H H 34 8.697 8.697 8.359 0.338 25973 7899 1 20 . 1 1 35 35 GLY N N 35 108.734 108.734 108.956 -0.222 25973 7900 1 20 . 1 1 35 35 GLY C C 35 170.888 170.888 174.292 -3.404 25973 7901 1 20 . 1 1 35 35 GLY H H 35 8.564 8.564 8.239 0.325 25973 7902 1 20 . 1 1 36 36 ILE N N 36 116.747 116.747 121.263 -4.516 25973 7903 1 20 . 1 1 36 36 ILE H H 36 6.763 6.763 7.376 -0.613 25973 7904 1 20 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.289 -0.297 25973 7905 1 20 . 1 1 38 38 PRO C C 38 175.657 175.657 178.254 -2.597 25973 7906 1 20 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.802 -2.068 25973 7907 1 20 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.589 -1.430 25973 7908 1 20 . 1 1 39 39 ASP N N 39 113.150 113.150 117.773 -4.623 25973 7909 1 20 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.453 -0.048 25973 7910 1 20 . 1 1 39 39 ASP C C 39 173.637 173.637 176.152 -2.515 25973 7911 1 20 . 1 1 39 39 ASP CA C 39 51.963 51.963 55.983 -4.020 25973 7912 1 20 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.373 -6.074 25973 7913 1 20 . 1 1 39 39 ASP H H 39 8.758 8.758 8.758 -0.000 25973 7914 1 20 . 1 1 40 40 GLN N N 40 118.365 118.365 116.802 1.563 25973 7915 1 20 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.487 -0.086 25973 7916 1 20 . 1 1 40 40 GLN C C 40 172.173 172.173 174.946 -2.773 25973 7917 1 20 . 1 1 40 40 GLN CA C 40 52.926 52.926 54.536 -1.610 25973 7918 1 20 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.397 -1.974 25973 7919 1 20 . 1 1 40 40 GLN H H 40 7.949 7.949 7.547 0.402 25973 7920 1 20 . 1 1 41 41 GLN N N 41 117.813 117.813 119.497 -1.684 25973 7921 1 20 . 1 1 41 41 GLN C C 41 172.785 172.785 175.237 -2.452 25973 7922 1 20 . 1 1 41 41 GLN H H 41 7.490 7.490 7.268 0.222 25973 7923 1 20 . 1 1 42 42 ARG N N 42 115.761 115.761 124.940 -9.179 25973 7924 1 20 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.652 -0.226 25973 7925 1 20 . 1 1 42 42 ARG C C 42 171.412 171.412 173.934 -2.522 25973 7926 1 20 . 1 1 42 42 ARG CA C 42 52.312 52.312 54.846 -2.534 25973 7927 1 20 . 1 1 42 42 ARG CB C 42 28.635 28.635 33.131 -4.496 25973 7928 1 20 . 1 1 42 42 ARG H H 42 8.631 8.631 8.417 0.214 25973 7929 1 20 . 1 1 43 43 LEU N N 43 124.185 124.185 127.023 -2.838 25973 7930 1 20 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.631 0.663 25973 7931 1 20 . 1 1 43 43 LEU C C 43 172.374 172.374 176.090 -3.716 25973 7932 1 20 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.046 -3.192 25973 7933 1 20 . 1 1 43 43 LEU CB C 43 43.114 43.114 42.547 0.567 25973 7934 1 20 . 1 1 43 43 LEU H H 43 8.673 8.673 8.672 0.001 25973 7935 1 20 . 1 1 44 44 ILE N N 44 122.386 122.386 127.462 -5.076 25973 7936 1 20 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.474 0.445 25973 7937 1 20 . 1 1 44 44 ILE C C 44 173.248 173.248 173.937 -0.689 25973 7938 1 20 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.297 -3.870 25973 7939 1 20 . 1 1 44 44 ILE CB C 44 39.130 39.130 40.411 -1.281 25973 7940 1 20 . 1 1 44 44 ILE H H 44 8.970 8.970 9.075 -0.105 25973 7941 1 20 . 1 1 45 45 PHE N N 45 125.287 125.287 127.036 -1.749 25973 7942 1 20 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.751 0.204 25973 7943 1 20 . 1 1 45 45 PHE C C 45 171.645 171.645 174.366 -2.721 25973 7944 1 20 . 1 1 45 45 PHE CA C 45 54.395 54.395 57.145 -2.750 25973 7945 1 20 . 1 1 45 45 PHE CB C 45 41.282 41.282 42.127 -0.845 25973 7946 1 20 . 1 1 45 45 PHE H H 45 8.658 8.658 8.149 0.509 25973 7947 1 20 . 1 1 46 46 ALA N N 46 100.596 100.596 122.952 -22.356 25973 7948 1 20 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.796 -0.170 25973 7949 1 20 . 1 1 46 46 ALA C C 46 174.527 174.527 176.409 -1.882 25973 7950 1 20 . 1 1 46 46 ALA CA C 46 49.877 49.877 51.679 -1.802 25973 7951 1 20 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.512 -3.645 25973 7952 1 20 . 1 1 46 46 ALA H H 46 8.687 8.687 6.464 2.223 25973 7953 1 20 . 1 1 47 47 GLY N N 47 102.825 102.825 106.214 -3.389 25973 7954 1 20 . 1 1 47 47 GLY C C 47 171.138 171.138 173.918 -2.780 25973 7955 1 20 . 1 1 47 47 GLY CA C 47 42.658 42.658 44.477 -1.819 25973 7956 1 20 . 1 1 47 47 GLY H H 47 8.193 8.193 7.897 0.296 25973 7957 1 20 . 1 1 48 48 LYS N N 48 121.451 121.451 119.233 2.218 25973 7958 1 20 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.456 0.086 25973 7959 1 20 . 1 1 48 48 LYS C C 48 171.954 171.954 177.124 -5.170 25973 7960 1 20 . 1 1 48 48 LYS CA C 48 51.653 51.653 56.398 -4.745 25973 7961 1 20 . 1 1 48 48 LYS CB C 48 31.761 31.761 33.044 -1.283 25973 7962 1 20 . 1 1 48 48 LYS H H 48 7.888 7.888 7.156 0.732 25973 7963 1 20 . 1 1 49 49 GLN N N 49 121.884 121.884 118.691 3.193 25973 7964 1 20 . 1 1 49 49 GLN HA H 49 4.418 4.418 3.963 0.455 25973 7965 1 20 . 1 1 49 49 GLN C C 49 173.073 173.073 176.421 -3.348 25973 7966 1 20 . 1 1 49 49 GLN CA C 49 52.999 52.999 57.892 -4.893 25973 7967 1 20 . 1 1 49 49 GLN CB C 49 26.041 26.041 28.883 -2.842 25973 7968 1 20 . 1 1 49 49 GLN H H 49 8.521 8.521 8.140 0.381 25973 7969 1 20 . 1 1 50 50 LEU N N 50 125.208 125.208 116.493 8.715 25973 7970 1 20 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.273 -0.327 25973 7971 1 20 . 1 1 50 50 LEU C C 50 173.823 173.823 176.768 -2.945 25973 7972 1 20 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.694 -3.112 25973 7973 1 20 . 1 1 50 50 LEU CB C 50 38.906 38.906 41.697 -2.791 25973 7974 1 20 . 1 1 50 50 LEU H H 50 8.427 8.427 7.985 0.442 25973 7975 1 20 . 1 1 51 51 GLU N N 51 122.400 122.400 119.095 3.305 25973 7976 1 20 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.394 0.030 25973 7977 1 20 . 1 1 51 51 GLU C C 51 173.730 173.730 177.531 -3.801 25973 7978 1 20 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.175 -2.354 25973 7979 1 20 . 1 1 51 51 GLU CB C 51 27.076 27.076 31.119 -4.043 25973 7980 1 20 . 1 1 51 51 GLU H H 51 8.333 8.333 8.325 0.008 25973 7981 1 20 . 1 1 52 52 ASP N N 52 119.615 119.615 122.050 -2.435 25973 7982 1 20 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.408 -0.149 25973 7983 1 20 . 1 1 52 52 ASP C C 52 173.507 173.507 177.571 -4.064 25973 7984 1 20 . 1 1 52 52 ASP CA C 52 53.536 53.536 56.699 -3.163 25973 7985 1 20 . 1 1 52 52 ASP CB C 52 36.441 36.441 40.294 -3.853 25973 7986 1 20 . 1 1 52 52 ASP H H 52 8.490 8.490 8.828 -0.338 25973 7987 1 20 . 1 1 53 53 GLY N N 53 104.158 104.158 106.093 -1.935 25973 7988 1 20 . 1 1 53 53 GLY C C 53 172.296 172.296 174.965 -2.669 25973 7989 1 20 . 1 1 53 53 GLY CA C 53 42.633 42.633 45.630 -2.997 25973 7990 1 20 . 1 1 53 53 GLY H H 53 8.622 8.622 7.996 0.626 25973 7991 1 20 . 1 1 54 54 ARG N N 54 119.010 119.010 119.535 -0.525 25973 7992 1 20 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.578 -0.110 25973 7993 1 20 . 1 1 54 54 ARG C C 54 172.237 172.237 174.898 -2.661 25973 7994 1 20 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.018 -3.271 25973 7995 1 20 . 1 1 54 54 ARG CB C 54 29.572 29.572 32.102 -2.530 25973 7996 1 20 . 1 1 54 54 ARG H H 54 7.397 7.397 8.052 -0.655 25973 7997 1 20 . 1 1 55 55 THR N N 55 106.762 106.762 112.583 -5.821 25973 7998 1 20 . 1 1 55 55 THR HA H 55 4.545 4.545 4.615 -0.070 25973 7999 1 20 . 1 1 55 55 THR C C 55 173.492 173.492 176.646 -3.154 25973 8000 1 20 . 1 1 55 55 THR CA C 55 57.122 57.122 59.948 -2.826 25973 8001 1 20 . 1 1 55 55 THR CB C 55 69.087 69.087 70.407 -1.320 25973 8002 1 20 . 1 1 55 55 THR H H 55 7.536 7.536 8.324 -0.788 25973 8003 1 20 . 1 1 56 56 LEU N N 56 119.096 119.096 122.307 -3.211 25973 8004 1 20 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.152 -0.190 25973 8005 1 20 . 1 1 56 56 LEU C C 56 178.169 178.169 179.293 -1.124 25973 8006 1 20 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.897 -1.621 25973 8007 1 20 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.591 -4.346 25973 8008 1 20 . 1 1 56 56 LEU H H 56 8.258 8.258 8.537 -0.279 25973 8009 1 20 . 1 1 57 57 SER N N 57 113.389 113.389 114.329 -0.940 25973 8010 1 20 . 1 1 57 57 SER HA H 57 4.180 4.180 4.214 -0.034 25973 8011 1 20 . 1 1 57 57 SER C C 57 175.491 175.491 176.246 -0.755 25973 8012 1 20 . 1 1 57 57 SER CA C 57 57.967 57.967 61.635 -3.668 25973 8013 1 20 . 1 1 57 57 SER CB C 57 59.730 59.730 62.680 -2.950 25973 8014 1 20 . 1 1 57 57 SER H H 57 8.484 8.484 8.361 0.123 25973 8015 1 20 . 1 1 58 58 ASP N N 58 122.795 122.795 120.875 1.920 25973 8016 1 20 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.511 -0.237 25973 8017 1 20 . 1 1 58 58 ASP C C 58 173.529 173.529 177.326 -3.797 25973 8018 1 20 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.062 -3.243 25973 8019 1 20 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.540 -5.880 25973 8020 1 20 . 1 1 58 58 ASP H H 58 7.893 7.893 7.921 -0.028 25973 8021 1 20 . 1 1 59 59 TYR N N 59 116.135 116.135 118.322 -2.187 25973 8022 1 20 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.451 0.172 25973 8023 1 20 . 1 1 59 59 TYR C C 59 171.756 171.756 175.320 -3.564 25973 8024 1 20 . 1 1 59 59 TYR CA C 59 55.546 55.546 59.193 -3.647 25973 8025 1 20 . 1 1 59 59 TYR CB C 59 37.146 37.146 39.449 -2.303 25973 8026 1 20 . 1 1 59 59 TYR H H 59 7.243 7.243 7.610 -0.367 25973 8027 1 20 . 1 1 60 60 ASN N N 60 115.660 115.660 116.363 -0.703 25973 8028 1 20 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.356 -0.075 25973 8029 1 20 . 1 1 60 60 ASN C C 60 171.419 171.419 174.707 -3.288 25973 8030 1 20 . 1 1 60 60 ASN CA C 60 51.470 51.470 54.131 -2.661 25973 8031 1 20 . 1 1 60 60 ASN CB C 60 34.647 34.647 36.138 -1.491 25973 8032 1 20 . 1 1 60 60 ASN H H 60 8.108 8.108 8.221 -0.113 25973 8033 1 20 . 1 1 61 61 ILE N N 61 118.591 118.591 118.627 -0.036 25973 8034 1 20 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.731 -0.472 25973 8035 1 20 . 1 1 61 61 ILE C C 61 171.673 171.673 176.020 -4.347 25973 8036 1 20 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.691 -2.954 25973 8037 1 20 . 1 1 61 61 ILE CB C 61 34.117 34.117 37.361 -3.244 25973 8038 1 20 . 1 1 61 61 ILE H H 61 7.031 7.031 8.022 -0.991 25973 8039 1 20 . 1 1 62 62 GLN N N 62 125.176 125.176 125.748 -0.572 25973 8040 1 20 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.470 -0.002 25973 8041 1 20 . 1 1 62 62 GLN C C 62 172.907 172.907 175.226 -2.319 25973 8042 1 20 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.976 -4.029 25973 8043 1 20 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.245 -0.945 25973 8044 1 20 . 1 1 62 62 GLN H H 62 7.645 7.645 8.477 -0.832 25973 8045 1 20 . 1 1 63 63 LYS N N 63 120.040 120.040 118.530 1.510 25973 8046 1 20 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.306 -0.396 25973 8047 1 20 . 1 1 63 63 LYS C C 63 173.589 173.589 176.656 -3.067 25973 8048 1 20 . 1 1 63 63 LYS CA C 63 55.292 55.292 55.484 -0.192 25973 8049 1 20 . 1 1 63 63 LYS CB C 63 29.920 29.920 32.403 -2.483 25973 8050 1 20 . 1 1 63 63 LYS H H 63 8.416 8.416 8.222 0.194 25973 8051 1 20 . 1 1 64 64 GLU N N 64 113.699 113.699 116.252 -2.553 25973 8052 1 20 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.148 -0.632 25973 8053 1 20 . 1 1 64 64 GLU C C 64 172.267 172.267 175.763 -3.496 25973 8054 1 20 . 1 1 64 64 GLU CA C 64 54.715 54.715 58.150 -3.435 25973 8055 1 20 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.451 -5.650 25973 8056 1 20 . 1 1 64 64 GLU H H 64 9.180 9.180 8.965 0.215 25973 8057 1 20 . 1 1 65 65 SER N N 65 115.564 115.564 114.251 1.313 25973 8058 1 20 . 1 1 65 65 SER HA H 65 4.531 4.531 4.563 -0.032 25973 8059 1 20 . 1 1 65 65 SER C C 65 169.375 169.375 174.204 -4.829 25973 8060 1 20 . 1 1 65 65 SER CA C 65 58.422 58.422 59.166 -0.744 25973 8061 1 20 . 1 1 65 65 SER CB C 65 62.153 62.153 64.151 -1.998 25973 8062 1 20 . 1 1 65 65 SER H H 65 7.818 7.818 7.641 0.177 25973 8063 1 20 . 1 1 66 66 THR N N 66 117.311 117.311 123.180 -5.869 25973 8064 1 20 . 1 1 66 66 THR HA H 66 5.106 5.106 4.795 0.311 25973 8065 1 20 . 1 1 66 66 THR C C 66 171.057 171.057 173.929 -2.872 25973 8066 1 20 . 1 1 66 66 THR CA C 66 59.814 59.814 62.118 -2.304 25973 8067 1 20 . 1 1 66 66 THR CB C 66 67.491 67.491 69.195 -1.704 25973 8068 1 20 . 1 1 66 66 THR H H 66 8.704 8.704 8.552 0.152 25973 8069 1 20 . 1 1 67 67 LEU N N 67 127.157 127.157 127.790 -0.633 25973 8070 1 20 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.795 0.156 25973 8071 1 20 . 1 1 67 67 LEU C C 67 173.090 173.090 176.033 -2.943 25973 8072 1 20 . 1 1 67 67 LEU CA C 67 51.708 51.708 53.186 -1.478 25973 8073 1 20 . 1 1 67 67 LEU CB C 67 41.391 41.391 43.274 -1.883 25973 8074 1 20 . 1 1 67 67 LEU H H 67 9.318 9.318 9.047 0.271 25973 8075 1 20 . 1 1 68 68 HIS N N 68 118.227 118.227 120.111 -1.884 25973 8076 1 20 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.759 0.411 25973 8077 1 20 . 1 1 68 68 HIS C C 68 170.031 170.031 174.069 -4.038 25973 8078 1 20 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.496 -3.432 25973 8079 1 20 . 1 1 68 68 HIS CB C 68 27.536 27.536 30.192 -2.656 25973 8080 1 20 . 1 1 68 68 HIS H H 68 9.141 9.141 8.746 0.395 25973 8081 1 20 . 1 1 69 69 LEU N N 69 124.847 124.847 127.064 -2.217 25973 8082 1 20 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.316 -0.208 25973 8083 1 20 . 1 1 69 69 LEU C C 69 172.304 172.304 174.893 -2.589 25973 8084 1 20 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.606 -1.960 25973 8085 1 20 . 1 1 69 69 LEU CB C 69 41.603 41.603 43.821 -2.218 25973 8086 1 20 . 1 1 69 69 LEU H H 69 8.332 8.332 8.419 -0.087 25973 8087 1 20 . 1 1 70 70 VAL N N 70 128.173 128.173 127.502 0.671 25973 8088 1 20 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.440 0.010 25973 8089 1 20 . 1 1 70 70 VAL C C 70 177.746 177.746 173.967 3.779 25973 8090 1 20 . 1 1 70 70 VAL CA C 70 58.395 58.395 61.127 -2.732 25973 8091 1 20 . 1 1 70 70 VAL CB C 70 31.198 31.198 33.760 -2.562 25973 8092 1 20 . 1 1 70 70 VAL H H 70 9.159 9.159 8.984 0.175 25973 8093 1 20 . 1 1 71 71 LEU N N 71 124.557 124.557 122.635 1.922 25973 8094 1 20 . 1 1 71 71 LEU HA H 71 4.922 4.922 5.093 -0.171 25973 8095 1 20 . 1 1 71 71 LEU C C 71 174.917 174.917 175.976 -1.059 25973 8096 1 20 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.195 -1.365 25973 8097 1 20 . 1 1 71 71 LEU CB C 71 39.997 39.997 45.003 -5.006 25973 8098 1 20 . 1 1 71 71 LEU H H 71 8.273 8.273 8.247 0.026 25973 8099 1 20 . 1 1 72 72 ARG N N 72 123.440 123.440 123.499 -0.059 25973 8100 1 20 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.331 -0.082 25973 8101 1 20 . 1 1 72 72 ARG C C 72 172.657 172.657 176.099 -3.442 25973 8102 1 20 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.151 -2.405 25973 8103 1 20 . 1 1 72 72 ARG CB C 72 28.058 28.058 29.876 -1.818 25973 8104 1 20 . 1 1 72 72 ARG H H 72 8.532 8.532 8.546 -0.014 25973 8105 1 20 . 1 1 73 73 LEU N N 73 124.189 124.189 126.097 -1.908 25973 8106 1 20 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.209 0.062 25973 8107 1 20 . 1 1 73 73 LEU C C 73 174.691 174.691 177.067 -2.376 25973 8108 1 20 . 1 1 73 73 LEU CA C 73 52.361 52.361 55.408 -3.047 25973 8109 1 20 . 1 1 73 73 LEU CB C 73 39.708 39.708 42.075 -2.368 25973 8110 1 20 . 1 1 73 73 LEU H H 73 8.289 8.289 8.503 -0.214 25973 8111 1 20 . 1 1 74 74 ARG N N 74 121.162 121.162 124.476 -3.314 25973 8112 1 20 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.570 -0.323 25973 8113 1 20 . 1 1 74 74 ARG C C 74 173.901 173.901 176.315 -2.414 25973 8114 1 20 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.915 -2.290 25973 8115 1 20 . 1 1 74 74 ARG CB C 74 28.134 28.134 31.355 -3.221 25973 8116 1 20 . 1 1 74 74 ARG H H 74 8.268 8.268 8.548 -0.280 25973 8117 1 20 . 1 1 75 75 GLY N N 75 110.230 110.230 111.942 -1.712 25973 8118 1 20 . 1 1 75 75 GLY C C 75 171.504 171.504 174.602 -3.098 25973 8119 1 20 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.344 -1.940 25973 8120 1 20 . 1 1 75 75 GLY H H 75 8.367 8.367 8.705 -0.338 25973 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 70 3.852 1.703 3.480 25973 2 1 1 "Average Difference" HA 71 0.298 -0.029 0.299 25973 3 1 1 "Average Difference" C 70 2.810 2.568 1.150 25973 4 1 1 "Average Difference" CA 68 2.954 2.796 0.960 25973 5 1 1 "Average Difference" CB 64 3.264 2.884 1.540 25973 6 1 1 "Average Difference" HN 70 0.416 0.019 0.419 25973 7 1 2 "Average Difference" N 70 3.737 1.331 3.518 25973 8 1 2 "Average Difference" HA 71 0.264 0.013 0.266 25973 9 1 2 "Average Difference" C 70 2.930 2.677 1.198 25973 10 1 2 "Average Difference" CA 68 2.913 2.763 0.928 25973 11 1 2 "Average Difference" CB 64 3.280 2.899 1.548 25973 12 1 2 "Average Difference" HN 70 0.417 -0.056 0.417 25973 13 1 3 "Average Difference" N 70 4.383 1.533 4.136 25973 14 1 3 "Average Difference" HA 71 0.275 -0.012 0.276 25973 15 1 3 "Average Difference" C 70 2.889 2.636 1.190 25973 16 1 3 "Average Difference" CA 68 2.797 2.660 0.873 25973 17 1 3 "Average Difference" CB 64 3.215 2.840 1.518 25973 18 1 3 "Average Difference" HN 70 0.411 -0.031 0.413 25973 19 1 4 "Average Difference" N 70 4.379 1.515 4.138 25973 20 1 4 "Average Difference" HA 71 0.244 -0.006 0.245 25973 21 1 4 "Average Difference" C 70 2.981 2.723 1.222 25973 22 1 4 "Average Difference" CA 68 2.888 2.775 0.807 25973 23 1 4 "Average Difference" CB 64 3.237 2.940 1.366 25973 24 1 4 "Average Difference" HN 70 0.409 0.012 0.412 25973 25 1 5 "Average Difference" N 70 4.347 1.807 3.982 25973 26 1 5 "Average Difference" HA 71 0.298 -0.007 0.300 25973 27 1 5 "Average Difference" C 70 2.835 2.594 1.152 25973 28 1 5 "Average Difference" CA 68 2.881 2.762 0.823 25973 29 1 5 "Average Difference" CB 64 3.355 2.996 1.522 25973 30 1 5 "Average Difference" HN 70 0.405 -0.006 0.408 25973 31 1 6 "Average Difference" N 70 4.303 1.794 3.939 25973 32 1 6 "Average Difference" HA 71 0.269 -0.029 0.269 25973 33 1 6 "Average Difference" C 70 2.939 2.712 1.141 25973 34 1 6 "Average Difference" CA 68 2.884 2.751 0.870 25973 35 1 6 "Average Difference" CB 64 3.089 2.776 1.365 25973 36 1 6 "Average Difference" HN 70 0.410 -0.050 0.410 25973 37 1 7 "Average Difference" N 70 4.301 1.772 3.948 25973 38 1 7 "Average Difference" HA 71 0.272 -0.010 0.274 25973 39 1 7 "Average Difference" C 70 2.856 2.625 1.135 25973 40 1 7 "Average Difference" CA 68 2.872 2.731 0.897 25973 41 1 7 "Average Difference" CB 64 3.205 2.889 1.400 25973 42 1 7 "Average Difference" HN 70 0.429 -0.035 0.430 25973 43 1 8 "Average Difference" N 70 4.275 1.758 3.925 25973 44 1 8 "Average Difference" HA 71 0.298 -0.030 0.299 25973 45 1 8 "Average Difference" C 70 2.819 2.596 1.108 25973 46 1 8 "Average Difference" CA 68 2.875 2.734 0.897 25973 47 1 8 "Average Difference" CB 64 3.281 2.926 1.496 25973 48 1 8 "Average Difference" HN 70 0.430 -0.007 0.433 25973 49 1 9 "Average Difference" N 70 3.956 1.494 3.689 25973 50 1 9 "Average Difference" HA 71 0.265 0.044 0.264 25973 51 1 9 "Average Difference" C 70 2.860 2.605 1.189 25973 52 1 9 "Average Difference" CA 68 2.887 2.731 0.944 25973 53 1 9 "Average Difference" CB 64 3.313 2.963 1.494 25973 54 1 9 "Average Difference" HN 70 0.493 -0.035 0.495 25973 55 1 10 "Average Difference" N 70 4.385 1.711 4.067 25973 56 1 10 "Average Difference" HA 71 0.263 -0.023 0.264 25973 57 1 10 "Average Difference" C 70 2.943 2.699 1.184 25973 58 1 10 "Average Difference" CA 68 2.948 2.809 0.902 25973 59 1 10 "Average Difference" CB 64 3.166 2.770 1.544 25973 60 1 10 "Average Difference" HN 70 0.414 -0.006 0.417 25973 61 1 11 "Average Difference" N 70 3.831 1.266 3.642 25973 62 1 11 "Average Difference" HA 71 0.284 -0.013 0.286 25973 63 1 11 "Average Difference" C 70 2.922 2.663 1.213 25973 64 1 11 "Average Difference" CA 68 2.932 2.788 0.915 25973 65 1 11 "Average Difference" CB 64 3.221 2.907 1.399 25973 66 1 11 "Average Difference" HN 70 0.451 -0.043 0.453 25973 67 1 12 "Average Difference" N 70 3.901 1.697 3.538 25973 68 1 12 "Average Difference" HA 71 0.270 0.014 0.272 25973 69 1 12 "Average Difference" C 70 2.954 2.713 1.176 25973 70 1 12 "Average Difference" CA 68 2.909 2.762 0.920 25973 71 1 12 "Average Difference" CB 64 3.264 2.944 1.421 25973 72 1 12 "Average Difference" HN 70 0.453 -0.048 0.454 25973 73 1 13 "Average Difference" N 70 3.979 1.423 3.743 25973 74 1 13 "Average Difference" HA 71 0.274 -0.013 0.276 25973 75 1 13 "Average Difference" C 70 2.904 2.641 1.216 25973 76 1 13 "Average Difference" CA 68 2.918 2.776 0.906 25973 77 1 13 "Average Difference" CB 64 3.338 2.979 1.519 25973 78 1 13 "Average Difference" HN 70 0.466 -0.041 0.468 25973 79 1 14 "Average Difference" N 70 3.749 1.535 3.446 25973 80 1 14 "Average Difference" HA 71 0.299 -0.022 0.300 25973 81 1 14 "Average Difference" C 70 2.907 2.647 1.210 25973 82 1 14 "Average Difference" CA 68 2.898 2.750 0.922 25973 83 1 14 "Average Difference" CB 64 3.249 2.874 1.527 25973 84 1 14 "Average Difference" HN 70 0.500 -0.050 0.501 25973 85 1 15 "Average Difference" N 70 3.751 1.529 3.450 25973 86 1 15 "Average Difference" HA 71 0.254 0.036 0.253 25973 87 1 15 "Average Difference" C 70 2.912 2.673 1.164 25973 88 1 15 "Average Difference" CA 68 2.838 2.708 0.856 25973 89 1 15 "Average Difference" CB 64 3.277 2.904 1.530 25973 90 1 15 "Average Difference" HN 70 0.486 -0.056 0.487 25973 91 1 16 "Average Difference" N 70 4.275 1.646 3.974 25973 92 1 16 "Average Difference" HA 71 0.295 -0.015 0.296 25973 93 1 16 "Average Difference" C 70 2.886 2.634 1.188 25973 94 1 16 "Average Difference" CA 68 2.945 2.802 0.914 25973 95 1 16 "Average Difference" CB 64 3.125 2.736 1.522 25973 96 1 16 "Average Difference" HN 70 0.396 -0.018 0.399 25973 97 1 17 "Average Difference" N 70 4.075 1.546 3.797 25973 98 1 17 "Average Difference" HA 71 0.261 0.010 0.263 25973 99 1 17 "Average Difference" C 70 2.870 2.607 1.208 25973 100 1 17 "Average Difference" CA 68 2.853 2.707 0.909 25973 101 1 17 "Average Difference" CB 64 3.197 2.851 1.458 25973 102 1 17 "Average Difference" HN 70 0.496 -0.003 0.500 25973 103 1 18 "Average Difference" N 70 3.871 1.463 3.609 25973 104 1 18 "Average Difference" HA 71 0.289 -0.052 0.287 25973 105 1 18 "Average Difference" C 70 2.995 2.742 1.215 25973 106 1 18 "Average Difference" CA 68 2.987 2.829 0.967 25973 107 1 18 "Average Difference" CB 64 3.200 2.848 1.471 25973 108 1 18 "Average Difference" HN 70 0.515 -0.063 0.515 25973 109 1 19 "Average Difference" N 70 3.926 1.733 3.549 25973 110 1 19 "Average Difference" HA 71 0.294 -0.013 0.296 25973 111 1 19 "Average Difference" C 70 2.990 2.736 1.213 25973 112 1 19 "Average Difference" CA 68 2.911 2.769 0.904 25973 113 1 19 "Average Difference" CB 64 3.154 2.818 1.429 25973 114 1 19 "Average Difference" HN 70 0.439 -0.006 0.442 25973 115 1 20 "Average Difference" N 70 4.022 1.510 3.755 25973 116 1 20 "Average Difference" HA 71 0.247 -0.005 0.249 25973 117 1 20 "Average Difference" C 70 2.990 2.753 1.174 25973 118 1 20 "Average Difference" CA 68 2.933 2.774 0.960 25973 119 1 20 "Average Difference" CB 64 3.124 2.785 1.425 25973 120 1 20 "Average Difference" HN 70 0.462 -0.061 0.461 25973 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 25973 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLN N N 2 124.960 124.960 119.522 5.438 25973 2 1 . 1 1 2 2 GLN HA H 2 5.089 5.089 4.885 0.204 25973 3 1 . 1 1 2 2 GLN C C 2 172.479 172.479 174.256 -1.777 25973 4 1 . 1 1 2 2 GLN CA C 2 52.320 52.320 54.995 -2.675 25973 5 1 . 1 1 2 2 GLN CB C 2 28.181 28.181 31.204 -3.023 25973 6 1 . 1 1 2 2 GLN H H 2 8.807 8.807 8.289 0.518 25973 7 1 . 1 1 3 3 ILE N N 3 116.556 116.556 114.577 1.979 25973 8 1 . 1 1 3 3 ILE HA H 3 4.178 4.178 4.481 -0.303 25973 9 1 . 1 1 3 3 ILE C C 3 169.813 169.813 173.624 -3.811 25973 10 1 . 1 1 3 3 ILE CA C 3 56.621 56.621 59.676 -3.055 25973 11 1 . 1 1 3 3 ILE CB C 3 39.105 39.105 41.601 -2.496 25973 12 1 . 1 1 3 3 ILE H H 3 8.237 8.237 8.460 -0.223 25973 13 1 . 1 1 4 4 PHE N N 4 118.417 118.417 119.860 -1.443 25973 14 1 . 1 1 4 4 PHE HA H 4 5.499 5.499 5.478 0.021 25973 15 1 . 1 1 4 4 PHE C C 4 172.505 172.505 175.220 -2.715 25973 16 1 . 1 1 4 4 PHE CA C 4 52.824 52.824 56.154 -3.330 25973 17 1 . 1 1 4 4 PHE CB C 4 38.890 38.890 42.208 -3.318 25973 18 1 . 1 1 4 4 PHE H H 4 8.675 8.675 8.663 0.012 25973 19 1 . 1 1 5 5 VAL N N 5 120.755 120.755 122.486 -1.731 25973 20 1 . 1 1 5 5 VAL HA H 5 4.587 4.587 4.617 -0.030 25973 21 1 . 1 1 5 5 VAL C C 5 172.070 172.070 174.590 -2.520 25973 22 1 . 1 1 5 5 VAL CA C 5 58.120 58.120 61.127 -3.006 25973 23 1 . 1 1 5 5 VAL CB C 5 32.048 32.048 34.334 -2.286 25973 24 1 . 1 1 5 5 VAL H H 5 9.190 9.190 9.159 0.031 25973 25 1 . 1 1 6 6 LYS N N 6 127.964 127.964 128.976 -1.012 25973 26 1 . 1 1 6 6 LYS HA H 6 5.238 5.238 4.793 0.445 25973 27 1 . 1 1 6 6 LYS C C 6 174.119 174.119 175.852 -1.733 25973 28 1 . 1 1 6 6 LYS CA C 6 51.871 51.871 54.756 -2.885 25973 29 1 . 1 1 6 6 LYS CB C 6 32.668 32.668 34.812 -2.144 25973 30 1 . 1 1 6 6 LYS H H 6 8.758 8.758 9.202 -0.444 25973 31 1 . 1 1 7 7 THR N N 7 115.618 115.618 117.769 -2.151 25973 32 1 . 1 1 7 7 THR HA H 7 4.912 4.912 4.889 0.023 25973 33 1 . 1 1 7 7 THR C C 7 173.994 173.994 176.443 -2.449 25973 34 1 . 1 1 7 7 THR CA C 7 57.844 57.844 59.760 -1.916 25973 35 1 . 1 1 7 7 THR CB C 7 68.137 68.137 71.011 -2.874 25973 36 1 . 1 1 7 7 THR H H 7 8.573 8.573 8.133 0.440 25973 37 1 . 1 1 8 8 LEU N N 8 122.083 122.083 120.244 1.839 25973 38 1 . 1 1 8 8 LEU HA H 8 4.209 4.209 4.337 -0.128 25973 39 1 . 1 1 8 8 LEU C C 8 176.005 176.005 177.714 -1.709 25973 40 1 . 1 1 8 8 LEU CA C 8 55.656 55.656 57.014 -1.358 25973 41 1 . 1 1 8 8 LEU CB C 8 39.247 39.247 41.468 -2.221 25973 42 1 . 1 1 8 8 LEU H H 8 9.034 9.034 8.682 0.352 25973 43 1 . 1 1 9 9 THR N N 9 105.803 105.803 108.338 -2.535 25973 44 1 . 1 1 9 9 THR HA H 9 4.503 4.503 4.388 0.115 25973 45 1 . 1 1 9 9 THR C C 9 172.624 172.624 175.751 -3.127 25973 46 1 . 1 1 9 9 THR CA C 9 58.961 58.961 61.548 -2.587 25973 47 1 . 1 1 9 9 THR CB C 9 66.541 66.541 69.523 -2.982 25973 48 1 . 1 1 9 9 THR H H 9 7.582 7.582 7.666 -0.084 25973 49 1 . 1 1 10 10 GLY N N 10 109.254 109.254 111.179 -1.925 25973 50 1 . 1 1 10 10 GLY C C 10 171.405 171.405 173.839 -2.433 25973 51 1 . 1 1 10 10 GLY CA C 10 42.653 42.653 45.165 -2.512 25973 52 1 . 1 1 10 10 GLY H H 10 7.770 7.770 7.779 -0.009 25973 53 1 . 1 1 11 11 LYS N N 11 121.278 121.278 123.662 -2.384 25973 54 1 . 1 1 11 11 LYS HA H 11 4.308 4.308 4.160 0.148 25973 55 1 . 1 1 11 11 LYS C C 11 173.489 173.489 175.542 -2.053 25973 56 1 . 1 1 11 11 LYS CA C 11 53.385 53.385 56.630 -3.245 25973 57 1 . 1 1 11 11 LYS CB C 11 30.172 30.172 33.201 -3.029 25973 58 1 . 1 1 11 11 LYS H H 11 7.313 7.313 7.719 -0.406 25973 59 1 . 1 1 12 12 THR N N 12 120.644 120.644 121.195 -0.551 25973 60 1 . 1 1 12 12 THR HA H 12 4.972 4.972 4.958 0.014 25973 61 1 . 1 1 12 12 THR C C 12 171.547 171.547 174.627 -3.080 25973 62 1 . 1 1 12 12 THR CA C 12 59.880 59.880 62.108 -2.228 25973 63 1 . 1 1 12 12 THR CB C 12 67.386 67.386 69.309 -1.923 25973 64 1 . 1 1 12 12 THR H H 12 8.659 8.659 8.212 0.447 25973 65 1 . 1 1 13 13 ILE N N 13 125.497 125.497 127.461 -1.964 25973 66 1 . 1 1 13 13 ILE HA H 13 4.538 4.538 4.497 0.041 25973 67 1 . 1 1 13 13 ILE C C 13 172.300 172.300 175.403 -3.103 25973 68 1 . 1 1 13 13 ILE CA C 13 57.114 57.114 60.013 -2.899 25973 69 1 . 1 1 13 13 ILE CB C 13 38.695 38.695 39.783 -1.088 25973 70 1 . 1 1 13 13 ILE H H 13 9.169 9.169 8.907 0.262 25973 71 1 . 1 1 14 14 THR N N 14 120.078 120.078 122.277 -2.199 25973 72 1 . 1 1 14 14 THR HA H 14 4.883 4.883 4.928 -0.045 25973 73 1 . 1 1 14 14 THR C C 14 170.915 170.915 173.775 -2.860 25973 74 1 . 1 1 14 14 THR CA C 14 58.998 58.998 61.611 -2.613 25973 75 1 . 1 1 14 14 THR CB C 14 67.221 67.221 69.467 -2.246 25973 76 1 . 1 1 14 14 THR H H 14 8.596 8.596 8.451 0.145 25973 77 1 . 1 1 15 15 LEU N N 15 124.381 124.381 127.909 -3.528 25973 78 1 . 1 1 15 15 LEU HA H 15 4.756 4.756 4.692 0.064 25973 79 1 . 1 1 15 15 LEU C C 15 172.377 172.377 175.155 -2.778 25973 80 1 . 1 1 15 15 LEU CA C 15 50.001 50.001 53.369 -3.368 25973 81 1 . 1 1 15 15 LEU CB C 15 44.121 44.121 45.480 -1.359 25973 82 1 . 1 1 15 15 LEU H H 15 8.706 8.706 8.524 0.182 25973 83 1 . 1 1 16 16 GLU N N 16 122.156 122.156 122.516 -0.360 25973 84 1 . 1 1 16 16 GLU HA H 16 4.852 4.852 4.671 0.181 25973 85 1 . 1 1 16 16 GLU C C 16 172.785 172.785 175.312 -2.527 25973 86 1 . 1 1 16 16 GLU CA C 16 51.717 51.717 55.568 -3.851 25973 87 1 . 1 1 16 16 GLU CB C 16 25.232 25.232 30.730 -5.498 25973 88 1 . 1 1 16 16 GLU H H 16 8.259 8.259 8.563 -0.304 25973 89 1 . 1 1 17 17 VAL N N 17 115.706 115.706 119.229 -3.523 25973 90 1 . 1 1 17 17 VAL HA H 17 4.633 4.633 4.533 0.100 25973 91 1 . 1 1 17 17 VAL C C 17 171.495 171.495 174.231 -2.736 25973 92 1 . 1 1 17 17 VAL CA C 17 55.667 55.667 59.687 -4.020 25973 93 1 . 1 1 17 17 VAL CB C 17 33.215 33.215 34.936 -1.721 25973 94 1 . 1 1 17 17 VAL H H 17 8.631 8.631 8.010 0.621 25973 95 1 . 1 1 18 18 GLU N N 18 117.702 117.702 120.306 -2.604 25973 96 1 . 1 1 18 18 GLU H H 18 7.705 7.705 8.464 -0.759 25973 97 1 . 1 1 19 19 PRO HA H 19 4.037 4.037 4.353 -0.316 25973 98 1 . 1 1 19 19 PRO C C 19 172.411 172.411 176.551 -4.140 25973 99 1 . 1 1 19 19 PRO CA C 19 62.565 62.565 64.455 -1.890 25973 100 1 . 1 1 19 19 PRO CB C 19 29.354 29.354 32.069 -2.715 25973 101 1 . 1 1 20 20 SER N N 20 104.376 104.376 111.676 -7.300 25973 102 1 . 1 1 20 20 SER HA H 20 4.270 4.270 4.406 -0.136 25973 103 1 . 1 1 20 20 SER C C 20 172.006 172.006 174.291 -2.285 25973 104 1 . 1 1 20 20 SER CA C 20 54.697 54.697 58.117 -3.420 25973 105 1 . 1 1 20 20 SER CB C 20 60.491 60.491 63.761 -3.270 25973 106 1 . 1 1 20 20 SER H H 20 7.127 7.127 7.822 -0.695 25973 107 1 . 1 1 21 21 ASP N N 21 121.646 121.646 123.394 -1.748 25973 108 1 . 1 1 21 21 ASP HA H 21 4.714 4.714 4.768 -0.054 25973 109 1 . 1 1 21 21 ASP C C 21 172.786 172.786 175.719 -2.933 25973 110 1 . 1 1 21 21 ASP CA C 21 51.436 51.436 54.387 -2.951 25973 111 1 . 1 1 21 21 ASP CB C 21 36.288 36.288 42.207 -5.919 25973 112 1 . 1 1 21 21 ASP H H 21 7.890 7.890 7.829 0.061 25973 113 1 . 1 1 22 22 THR N N 22 109.295 109.295 111.406 -2.111 25973 114 1 . 1 1 22 22 THR HA H 22 4.833 4.833 4.519 0.314 25973 115 1 . 1 1 22 22 THR C C 22 173.653 173.653 176.205 -2.552 25973 116 1 . 1 1 22 22 THR CA C 22 57.439 57.439 60.054 -2.615 25973 117 1 . 1 1 22 22 THR CB C 22 68.925 68.925 71.146 -2.221 25973 118 1 . 1 1 22 22 THR H H 22 8.202 8.202 8.082 0.120 25973 119 1 . 1 1 23 23 ILE N N 23 121.424 121.424 121.494 -0.070 25973 120 1 . 1 1 23 23 ILE HA H 23 3.596 3.596 3.788 -0.192 25973 121 1 . 1 1 23 23 ILE C C 23 176.250 176.250 177.625 -1.375 25973 122 1 . 1 1 23 23 ILE CA C 23 59.208 59.208 63.146 -3.938 25973 123 1 . 1 1 23 23 ILE CB C 23 31.692 31.692 36.867 -5.175 25973 124 1 . 1 1 23 23 ILE H H 23 8.450 8.450 8.669 -0.219 25973 125 1 . 1 1 24 24 GLU N N 24 120.359 120.359 120.501 -0.142 25973 126 1 . 1 1 24 24 GLU HA H 24 3.814 3.814 3.943 -0.129 25973 127 1 . 1 1 24 24 GLU C C 24 175.008 175.008 178.917 -3.909 25973 128 1 . 1 1 24 24 GLU CA C 24 56.671 56.671 59.981 -3.310 25973 129 1 . 1 1 24 24 GLU CB C 24 25.586 25.586 29.102 -3.516 25973 130 1 . 1 1 24 24 GLU H H 24 8.802 8.802 8.352 0.450 25973 131 1 . 1 1 25 25 ASN N N 25 119.035 119.035 117.943 1.092 25973 132 1 . 1 1 25 25 ASN HA H 25 4.393 4.393 4.506 -0.113 25973 133 1 . 1 1 25 25 ASN C C 25 175.438 175.438 177.365 -1.927 25973 134 1 . 1 1 25 25 ASN CA C 25 53.655 53.655 56.047 -2.392 25973 135 1 . 1 1 25 25 ASN CB C 25 36.269 36.269 38.456 -2.187 25973 136 1 . 1 1 25 25 ASN H H 25 7.928 7.928 7.944 -0.016 25973 137 1 . 1 1 26 26 ALA N N 26 122.272 122.272 123.215 -0.943 25973 138 1 . 1 1 26 26 ALA HA H 26 3.811 3.811 3.963 -0.152 25973 139 1 . 1 1 26 26 ALA C C 26 176.256 176.256 179.402 -3.146 25973 140 1 . 1 1 26 26 ALA CA C 26 53.046 53.046 55.142 -2.096 25973 141 1 . 1 1 26 26 ALA CB C 26 13.254 13.254 18.413 -5.159 25973 142 1 . 1 1 26 26 ALA H H 26 7.949 7.949 7.542 0.407 25973 143 1 . 1 1 27 27 LYS N N 27 117.069 117.069 118.883 -1.814 25973 144 1 . 1 1 27 27 LYS H H 27 8.469 8.469 8.178 0.292 25973 145 1 . 1 1 28 28 ALA HA H 28 4.069 4.069 4.034 0.035 25973 146 1 . 1 1 28 28 ALA C C 28 177.699 177.699 179.339 -1.640 25973 147 1 . 1 1 28 28 ALA CA C 28 52.567 52.567 55.181 -2.614 25973 148 1 . 1 1 28 28 ALA CB C 28 14.953 14.953 18.319 -3.366 25973 149 1 . 1 1 29 29 LYS N N 29 119.644 119.644 119.233 0.411 25973 150 1 . 1 1 29 29 LYS HA H 29 4.101 4.101 3.993 0.108 25973 151 1 . 1 1 29 29 LYS C C 29 177.487 177.487 179.090 -1.603 25973 152 1 . 1 1 29 29 LYS CA C 29 56.825 56.825 59.483 -2.659 25973 153 1 . 1 1 29 29 LYS CB C 29 30.222 30.222 32.419 -2.197 25973 154 1 . 1 1 29 29 LYS H H 29 7.726 7.726 7.676 0.050 25973 155 1 . 1 1 30 30 ILE N N 30 121.905 121.905 120.000 1.905 25973 156 1 . 1 1 30 30 ILE HA H 30 4.182 4.182 3.659 0.523 25973 157 1 . 1 1 30 30 ILE C C 30 175.724 175.724 177.567 -1.843 25973 158 1 . 1 1 30 30 ILE CA C 30 63.545 63.545 65.258 -1.714 25973 159 1 . 1 1 30 30 ILE CB C 30 34.205 34.205 37.901 -3.696 25973 160 1 . 1 1 30 30 ILE H H 30 8.206 8.206 7.912 0.294 25973 161 1 . 1 1 31 31 GLN N N 31 123.624 123.624 121.124 2.500 25973 162 1 . 1 1 31 31 GLN HA H 31 3.736 3.736 4.133 -0.397 25973 163 1 . 1 1 31 31 GLN C C 31 176.118 176.118 178.281 -2.163 25973 164 1 . 1 1 31 31 GLN CA C 31 57.098 57.098 59.114 -2.016 25973 165 1 . 1 1 31 31 GLN CB C 31 25.550 25.550 28.316 -2.766 25973 166 1 . 1 1 31 31 GLN H H 31 8.597 8.597 7.966 0.631 25973 167 1 . 1 1 32 32 ASP N N 32 118.441 118.441 118.625 -0.184 25973 168 1 . 1 1 32 32 ASP HA H 32 4.314 4.314 4.493 -0.179 25973 169 1 . 1 1 32 32 ASP C C 32 173.568 173.568 177.825 -4.257 25973 170 1 . 1 1 32 32 ASP CA C 32 53.364 53.364 56.334 -2.970 25973 171 1 . 1 1 32 32 ASP CB C 32 35.153 35.153 40.821 -5.668 25973 172 1 . 1 1 32 32 ASP H H 32 7.994 7.994 7.980 0.014 25973 173 1 . 1 1 33 33 LYS N N 33 115.568 115.568 118.741 -3.173 25973 174 1 . 1 1 33 33 LYS HA H 33 4.295 4.295 4.313 -0.017 25973 175 1 . 1 1 33 33 LYS C C 33 174.935 174.935 177.917 -2.982 25973 176 1 . 1 1 33 33 LYS CA C 33 55.431 55.431 57.855 -2.424 25973 177 1 . 1 1 33 33 LYS CB C 33 31.813 31.813 33.511 -1.698 25973 178 1 . 1 1 33 33 LYS H H 33 7.383 7.383 7.537 -0.154 25973 179 1 . 1 1 34 34 GLU N N 34 113.069 113.069 115.954 -2.885 25973 180 1 . 1 1 34 34 GLU HA H 34 4.619 4.619 4.456 0.163 25973 181 1 . 1 1 34 34 GLU C C 34 174.551 174.551 177.272 -2.721 25973 182 1 . 1 1 34 34 GLU CA C 34 52.222 52.222 56.056 -3.834 25973 183 1 . 1 1 34 34 GLU CB C 34 28.913 28.913 30.405 -1.492 25973 184 1 . 1 1 34 34 GLU H H 34 8.697 8.697 8.407 0.290 25973 185 1 . 1 1 35 35 GLY N N 35 108.734 108.734 108.789 -0.055 25973 186 1 . 1 1 35 35 GLY C C 35 170.888 170.888 174.312 -3.424 25973 187 1 . 1 1 35 35 GLY H H 35 8.564 8.564 8.172 0.393 25973 188 1 . 1 1 36 36 ILE N N 36 116.747 116.747 121.492 -4.745 25973 189 1 . 1 1 36 36 ILE H H 36 6.763 6.763 7.486 -0.723 25973 190 1 . 1 1 38 38 PRO HA H 38 3.992 3.992 4.291 -0.299 25973 191 1 . 1 1 38 38 PRO C C 38 175.657 175.657 178.048 -2.391 25973 192 1 . 1 1 38 38 PRO CA C 38 63.734 63.734 65.334 -1.600 25973 193 1 . 1 1 38 38 PRO CB C 38 30.159 30.159 31.881 -1.722 25973 194 1 . 1 1 39 39 ASP N N 39 113.150 113.150 117.382 -4.232 25973 195 1 . 1 1 39 39 ASP HA H 39 4.405 4.405 4.440 -0.035 25973 196 1 . 1 1 39 39 ASP C C 39 173.637 173.637 176.767 -3.130 25973 197 1 . 1 1 39 39 ASP CA C 39 51.963 51.963 56.210 -4.247 25973 198 1 . 1 1 39 39 ASP CB C 39 34.299 34.299 40.113 -5.813 25973 199 1 . 1 1 39 39 ASP H H 39 8.758 8.758 8.627 0.131 25973 200 1 . 1 1 40 40 GLN N N 40 118.365 118.365 116.617 1.748 25973 201 1 . 1 1 40 40 GLN HA H 40 4.401 4.401 4.541 -0.140 25973 202 1 . 1 1 40 40 GLN C C 40 172.173 172.173 174.826 -2.653 25973 203 1 . 1 1 40 40 GLN CA C 40 52.926 52.926 55.343 -2.417 25973 204 1 . 1 1 40 40 GLN CB C 40 27.423 27.423 29.520 -2.097 25973 205 1 . 1 1 40 40 GLN H H 40 7.949 7.949 7.696 0.253 25973 206 1 . 1 1 41 41 GLN N N 41 117.813 117.813 119.347 -1.534 25973 207 1 . 1 1 41 41 GLN C C 41 172.785 172.785 175.065 -2.280 25973 208 1 . 1 1 41 41 GLN H H 41 7.490 7.490 7.425 0.065 25973 209 1 . 1 1 42 42 ARG N N 42 115.761 115.761 125.090 -9.329 25973 210 1 . 1 1 42 42 ARG HA H 42 4.427 4.427 4.664 -0.237 25973 211 1 . 1 1 42 42 ARG C C 42 171.412 171.412 174.071 -2.659 25973 212 1 . 1 1 42 42 ARG CA C 42 52.312 52.312 55.041 -2.729 25973 213 1 . 1 1 42 42 ARG CB C 42 28.635 28.635 33.104 -4.469 25973 214 1 . 1 1 42 42 ARG H H 42 8.631 8.631 8.582 0.049 25973 215 1 . 1 1 43 43 LEU N N 43 124.185 124.185 126.895 -2.710 25973 216 1 . 1 1 43 43 LEU HA H 43 5.294 5.294 4.876 0.418 25973 217 1 . 1 1 43 43 LEU C C 43 172.374 172.374 176.144 -3.770 25973 218 1 . 1 1 43 43 LEU CA C 43 50.854 50.854 54.379 -3.525 25973 219 1 . 1 1 43 43 LEU CB C 43 43.114 43.114 43.211 -0.097 25973 220 1 . 1 1 43 43 LEU H H 43 8.673 8.673 8.667 0.006 25973 221 1 . 1 1 44 44 ILE N N 44 122.386 122.386 125.467 -3.080 25973 222 1 . 1 1 44 44 ILE HA H 44 4.919 4.919 4.461 0.458 25973 223 1 . 1 1 44 44 ILE C C 44 173.248 173.248 174.157 -0.909 25973 224 1 . 1 1 44 44 ILE CA C 44 56.427 56.427 60.347 -3.920 25973 225 1 . 1 1 44 44 ILE CB C 44 39.130 39.130 41.921 -2.791 25973 226 1 . 1 1 44 44 ILE H H 44 8.970 8.970 8.926 0.044 25973 227 1 . 1 1 45 45 PHE N N 45 125.287 125.287 125.554 -0.267 25973 228 1 . 1 1 45 45 PHE HA H 45 4.955 4.955 4.882 0.073 25973 229 1 . 1 1 45 45 PHE C C 45 171.645 171.645 174.471 -2.826 25973 230 1 . 1 1 45 45 PHE CA C 45 54.395 54.395 57.120 -2.725 25973 231 1 . 1 1 45 45 PHE CB C 45 41.282 41.282 41.614 -0.332 25973 232 1 . 1 1 45 45 PHE H H 45 8.658 8.658 8.457 0.201 25973 233 1 . 1 1 46 46 ALA N N 46 100.596 100.596 124.874 -24.278 25973 234 1 . 1 1 46 46 ALA HA H 46 3.626 3.626 3.760 -0.134 25973 235 1 . 1 1 46 46 ALA C C 46 174.527 174.527 177.305 -2.778 25973 236 1 . 1 1 46 46 ALA CA C 46 49.877 49.877 52.410 -2.533 25973 237 1 . 1 1 46 46 ALA CB C 46 13.867 13.867 17.600 -3.733 25973 238 1 . 1 1 46 46 ALA H H 46 8.687 8.687 7.460 1.227 25973 239 1 . 1 1 47 47 GLY N N 47 102.825 102.825 106.192 -3.367 25973 240 1 . 1 1 47 47 GLY C C 47 171.138 171.138 174.387 -3.249 25973 241 1 . 1 1 47 47 GLY CA C 47 42.658 42.658 44.853 -2.195 25973 242 1 . 1 1 47 47 GLY H H 47 8.193 8.193 8.078 0.115 25973 243 1 . 1 1 48 48 LYS N N 48 121.451 121.451 120.721 0.730 25973 244 1 . 1 1 48 48 LYS HA H 48 4.542 4.542 4.223 0.319 25973 245 1 . 1 1 48 48 LYS C C 48 171.954 171.954 176.531 -4.577 25973 246 1 . 1 1 48 48 LYS CA C 48 51.653 51.653 56.433 -4.780 25973 247 1 . 1 1 48 48 LYS CB C 48 31.761 31.761 32.288 -0.527 25973 248 1 . 1 1 48 48 LYS H H 48 7.888 7.888 7.737 0.151 25973 249 1 . 1 1 49 49 GLN N N 49 121.884 121.884 120.197 1.687 25973 250 1 . 1 1 49 49 GLN HA H 49 4.418 4.418 4.261 0.157 25973 251 1 . 1 1 49 49 GLN C C 49 173.073 173.073 175.920 -2.847 25973 252 1 . 1 1 49 49 GLN CA C 49 52.999 52.999 56.178 -3.179 25973 253 1 . 1 1 49 49 GLN CB C 49 26.041 26.041 29.235 -3.193 25973 254 1 . 1 1 49 49 GLN H H 49 8.521 8.521 8.206 0.315 25973 255 1 . 1 1 50 50 LEU N N 50 125.208 125.208 121.073 4.135 25973 256 1 . 1 1 50 50 LEU HA H 50 3.946 3.946 4.270 -0.324 25973 257 1 . 1 1 50 50 LEU C C 50 173.823 173.823 176.410 -2.587 25973 258 1 . 1 1 50 50 LEU CA C 50 51.582 51.582 54.618 -3.036 25973 259 1 . 1 1 50 50 LEU CB C 50 38.906 38.906 41.262 -2.356 25973 260 1 . 1 1 50 50 LEU H H 50 8.427 8.427 8.020 0.407 25973 261 1 . 1 1 51 51 GLU N N 51 122.400 122.400 121.320 1.080 25973 262 1 . 1 1 51 51 GLU HA H 51 4.424 4.424 4.410 0.014 25973 263 1 . 1 1 51 51 GLU C C 51 173.730 173.730 176.982 -3.252 25973 264 1 . 1 1 51 51 GLU CA C 51 52.821 52.821 55.782 -2.961 25973 265 1 . 1 1 51 51 GLU CB C 51 27.076 27.076 30.819 -3.743 25973 266 1 . 1 1 51 51 GLU H H 51 8.333 8.333 8.198 0.135 25973 267 1 . 1 1 52 52 ASP N N 52 119.615 119.615 122.056 -2.441 25973 268 1 . 1 1 52 52 ASP HA H 52 4.259 4.259 4.469 -0.210 25973 269 1 . 1 1 52 52 ASP C C 52 173.507 173.507 177.231 -3.724 25973 270 1 . 1 1 52 52 ASP CA C 52 53.536 53.536 55.730 -2.194 25973 271 1 . 1 1 52 52 ASP CB C 52 36.441 36.441 40.876 -4.435 25973 272 1 . 1 1 52 52 ASP H H 52 8.490 8.490 8.727 -0.237 25973 273 1 . 1 1 53 53 GLY N N 53 104.158 104.158 106.639 -2.481 25973 274 1 . 1 1 53 53 GLY C C 53 172.296 172.296 174.568 -2.272 25973 275 1 . 1 1 53 53 GLY CA C 53 42.633 42.633 45.263 -2.630 25973 276 1 . 1 1 53 53 GLY H H 53 8.622 8.622 8.101 0.521 25973 277 1 . 1 1 54 54 ARG N N 54 119.010 119.010 120.235 -1.225 25973 278 1 . 1 1 54 54 ARG HA H 54 4.468 4.468 4.606 -0.138 25973 279 1 . 1 1 54 54 ARG C C 54 172.237 172.237 175.589 -3.352 25973 280 1 . 1 1 54 54 ARG CA C 54 51.747 51.747 55.069 -3.322 25973 281 1 . 1 1 54 54 ARG CB C 54 29.572 29.572 31.579 -2.007 25973 282 1 . 1 1 54 54 ARG H H 54 7.397 7.397 7.952 -0.554 25973 283 1 . 1 1 55 55 THR N N 55 106.762 106.762 112.233 -5.471 25973 284 1 . 1 1 55 55 THR HA H 55 4.545 4.545 4.572 -0.027 25973 285 1 . 1 1 55 55 THR C C 55 173.492 173.492 175.752 -2.260 25973 286 1 . 1 1 55 55 THR CA C 55 57.122 57.122 60.278 -3.156 25973 287 1 . 1 1 55 55 THR CB C 55 69.087 69.087 70.775 -1.688 25973 288 1 . 1 1 55 55 THR H H 55 7.536 7.536 8.171 -0.636 25973 289 1 . 1 1 56 56 LEU N N 56 119.096 119.096 121.160 -2.064 25973 290 1 . 1 1 56 56 LEU HA H 56 3.962 3.962 4.189 -0.227 25973 291 1 . 1 1 56 56 LEU C C 56 178.169 178.169 179.101 -0.932 25973 292 1 . 1 1 56 56 LEU CA C 56 56.276 56.276 57.685 -1.409 25973 293 1 . 1 1 56 56 LEU CB C 56 37.245 37.245 41.303 -4.058 25973 294 1 . 1 1 56 56 LEU H H 56 8.258 8.258 8.502 -0.244 25973 295 1 . 1 1 57 57 SER N N 57 113.389 113.389 114.884 -1.495 25973 296 1 . 1 1 57 57 SER HA H 57 4.180 4.180 4.210 -0.030 25973 297 1 . 1 1 57 57 SER C C 57 175.491 175.491 176.434 -0.943 25973 298 1 . 1 1 57 57 SER CA C 57 57.967 57.967 61.421 -3.454 25973 299 1 . 1 1 57 57 SER CB C 57 59.730 59.730 62.410 -2.680 25973 300 1 . 1 1 57 57 SER H H 57 8.484 8.484 8.340 0.144 25973 301 1 . 1 1 58 58 ASP N N 58 122.795 122.795 121.530 1.265 25973 302 1 . 1 1 58 58 ASP HA H 58 4.274 4.274 4.484 -0.210 25973 303 1 . 1 1 58 58 ASP C C 58 173.529 173.529 177.137 -3.607 25973 304 1 . 1 1 58 58 ASP CA C 58 52.819 52.819 56.326 -3.507 25973 305 1 . 1 1 58 58 ASP CB C 58 34.660 34.660 40.676 -6.016 25973 306 1 . 1 1 58 58 ASP H H 58 7.893 7.893 7.875 0.018 25973 307 1 . 1 1 59 59 TYR N N 59 116.135 116.135 117.860 -1.725 25973 308 1 . 1 1 59 59 TYR HA H 59 4.623 4.623 4.474 0.149 25973 309 1 . 1 1 59 59 TYR C C 59 171.756 171.756 174.853 -3.097 25973 310 1 . 1 1 59 59 TYR CA C 59 55.546 55.546 59.002 -3.456 25973 311 1 . 1 1 59 59 TYR CB C 59 37.146 37.146 39.028 -1.882 25973 312 1 . 1 1 59 59 TYR H H 59 7.243 7.243 7.561 -0.318 25973 313 1 . 1 1 60 60 ASN N N 60 115.660 115.660 116.325 -0.665 25973 314 1 . 1 1 60 60 ASN HA H 60 4.281 4.281 4.342 -0.061 25973 315 1 . 1 1 60 60 ASN C C 60 171.419 171.419 174.623 -3.204 25973 316 1 . 1 1 60 60 ASN CA C 60 51.470 51.470 53.935 -2.465 25973 317 1 . 1 1 60 60 ASN CB C 60 34.647 34.647 36.298 -1.651 25973 318 1 . 1 1 60 60 ASN H H 60 8.108 8.108 8.153 -0.045 25973 319 1 . 1 1 61 61 ILE N N 61 118.591 118.591 118.980 -0.389 25973 320 1 . 1 1 61 61 ILE HA H 61 3.259 3.259 3.699 -0.440 25973 321 1 . 1 1 61 61 ILE C C 61 171.673 171.673 176.109 -4.436 25973 322 1 . 1 1 61 61 ILE CA C 61 59.737 59.737 62.609 -2.872 25973 323 1 . 1 1 61 61 ILE CB C 61 34.117 34.117 37.092 -2.975 25973 324 1 . 1 1 61 61 ILE H H 61 7.031 7.031 8.155 -1.124 25973 325 1 . 1 1 62 62 GLN N N 62 125.176 125.176 126.535 -1.359 25973 326 1 . 1 1 62 62 GLN HA H 62 4.468 4.468 4.502 -0.034 25973 327 1 . 1 1 62 62 GLN C C 62 172.907 172.907 175.492 -2.585 25973 328 1 . 1 1 62 62 GLN CA C 62 50.947 50.947 54.782 -3.835 25973 329 1 . 1 1 62 62 GLN CB C 62 29.300 29.300 30.468 -1.168 25973 330 1 . 1 1 62 62 GLN H H 62 7.645 7.645 8.423 -0.778 25973 331 1 . 1 1 63 63 LYS N N 63 120.040 120.040 118.919 1.121 25973 332 1 . 1 1 63 63 LYS HA H 63 3.910 3.910 4.211 -0.301 25973 333 1 . 1 1 63 63 LYS C C 63 173.589 173.589 176.924 -3.335 25973 334 1 . 1 1 63 63 LYS CA C 63 55.292 55.292 56.349 -1.057 25973 335 1 . 1 1 63 63 LYS CB C 63 29.920 29.920 32.885 -2.965 25973 336 1 . 1 1 63 63 LYS H H 63 8.416 8.416 8.283 0.133 25973 337 1 . 1 1 64 64 GLU N N 64 113.699 113.699 115.965 -2.266 25973 338 1 . 1 1 64 64 GLU HA H 64 3.516 3.516 4.129 -0.613 25973 339 1 . 1 1 64 64 GLU C C 64 172.267 172.267 175.707 -3.440 25973 340 1 . 1 1 64 64 GLU CA C 64 54.715 54.715 57.860 -3.145 25973 341 1 . 1 1 64 64 GLU CB C 64 22.801 22.801 28.169 -5.368 25973 342 1 . 1 1 64 64 GLU H H 64 9.180 9.180 8.625 0.555 25973 343 1 . 1 1 65 65 SER N N 65 115.564 115.564 114.223 1.341 25973 344 1 . 1 1 65 65 SER HA H 65 4.531 4.531 4.679 -0.148 25973 345 1 . 1 1 65 65 SER C C 65 169.375 169.375 174.256 -4.881 25973 346 1 . 1 1 65 65 SER CA C 65 58.422 58.422 58.622 -0.200 25973 347 1 . 1 1 65 65 SER CB C 65 62.153 62.153 64.768 -2.615 25973 348 1 . 1 1 65 65 SER H H 65 7.818 7.818 7.727 0.091 25973 349 1 . 1 1 66 66 THR N N 66 117.311 117.311 121.929 -4.618 25973 350 1 . 1 1 66 66 THR HA H 66 5.106 5.106 4.718 0.388 25973 351 1 . 1 1 66 66 THR C C 66 171.057 171.057 174.080 -3.023 25973 352 1 . 1 1 66 66 THR CA C 66 59.814 59.814 62.506 -2.692 25973 353 1 . 1 1 66 66 THR CB C 66 67.491 67.491 69.101 -1.610 25973 354 1 . 1 1 66 66 THR H H 66 8.704 8.704 8.686 0.018 25973 355 1 . 1 1 67 67 LEU N N 67 127.157 127.157 128.684 -1.527 25973 356 1 . 1 1 67 67 LEU HA H 67 4.951 4.951 4.674 0.277 25973 357 1 . 1 1 67 67 LEU C C 67 173.090 173.090 175.706 -2.616 25973 358 1 . 1 1 67 67 LEU CA C 67 51.708 51.708 54.001 -2.293 25973 359 1 . 1 1 67 67 LEU CB C 67 41.391 41.391 44.420 -3.029 25973 360 1 . 1 1 67 67 LEU H H 67 9.318 9.318 9.159 0.159 25973 361 1 . 1 1 68 68 HIS N N 68 118.227 118.227 121.346 -3.119 25973 362 1 . 1 1 68 68 HIS HA H 68 5.170 5.170 4.906 0.264 25973 363 1 . 1 1 68 68 HIS C C 68 170.031 170.031 174.262 -4.231 25973 364 1 . 1 1 68 68 HIS CA C 68 52.064 52.064 55.601 -3.537 25973 365 1 . 1 1 68 68 HIS CB C 68 27.536 27.536 30.083 -2.547 25973 366 1 . 1 1 68 68 HIS H H 68 9.141 9.141 9.108 0.033 25973 367 1 . 1 1 69 69 LEU N N 69 124.847 124.847 127.800 -2.953 25973 368 1 . 1 1 69 69 LEU HA H 69 5.108 5.108 5.103 0.005 25973 369 1 . 1 1 69 69 LEU C C 69 172.304 172.304 174.934 -2.630 25973 370 1 . 1 1 69 69 LEU CA C 69 51.646 51.646 53.865 -2.219 25973 371 1 . 1 1 69 69 LEU CB C 69 41.603 41.603 43.369 -1.766 25973 372 1 . 1 1 69 69 LEU H H 69 8.332 8.332 8.651 -0.319 25973 373 1 . 1 1 70 70 VAL N N 70 128.173 128.173 127.667 0.506 25973 374 1 . 1 1 70 70 VAL HA H 70 4.450 4.450 4.449 0.001 25973 375 1 . 1 1 70 70 VAL C C 70 177.746 177.746 174.395 3.351 25973 376 1 . 1 1 70 70 VAL CA C 70 58.395 58.395 60.688 -2.293 25973 377 1 . 1 1 70 70 VAL CB C 70 31.198 31.198 34.588 -3.390 25973 378 1 . 1 1 70 70 VAL H H 70 9.159 9.159 9.073 0.086 25973 379 1 . 1 1 71 71 LEU N N 71 124.557 124.557 124.294 0.263 25973 380 1 . 1 1 71 71 LEU HA H 71 4.922 4.922 4.992 -0.070 25973 381 1 . 1 1 71 71 LEU C C 71 174.917 174.917 176.578 -1.661 25973 382 1 . 1 1 71 71 LEU CA C 71 51.830 51.830 53.415 -1.585 25973 383 1 . 1 1 71 71 LEU CB C 71 39.997 39.997 43.412 -3.414 25973 384 1 . 1 1 71 71 LEU H H 71 8.273 8.273 8.380 -0.107 25973 385 1 . 1 1 72 72 ARG N N 72 123.440 123.440 124.533 -1.093 25973 386 1 . 1 1 72 72 ARG HA H 72 4.249 4.249 4.475 -0.226 25973 387 1 . 1 1 72 72 ARG C C 72 172.657 172.657 175.424 -2.767 25973 388 1 . 1 1 72 72 ARG CA C 72 52.746 52.746 55.308 -2.562 25973 389 1 . 1 1 72 72 ARG CB C 72 28.058 28.058 30.673 -2.614 25973 390 1 . 1 1 72 72 ARG H H 72 8.532 8.532 8.398 0.134 25973 391 1 . 1 1 73 73 LEU N N 73 124.189 124.189 124.143 0.046 25973 392 1 . 1 1 73 73 LEU HA H 73 4.271 4.271 4.222 0.049 25973 393 1 . 1 1 73 73 LEU C C 73 174.691 174.691 175.740 -1.049 25973 394 1 . 1 1 73 73 LEU CA C 73 52.361 52.361 55.109 -2.748 25973 395 1 . 1 1 73 73 LEU CB C 73 39.708 39.708 42.911 -3.203 25973 396 1 . 1 1 73 73 LEU H H 73 8.289 8.289 8.507 -0.218 25973 397 1 . 1 1 74 74 ARG N N 74 121.162 121.162 123.665 -2.503 25973 398 1 . 1 1 74 74 ARG HA H 74 4.247 4.247 4.544 -0.297 25973 399 1 . 1 1 74 74 ARG C C 74 173.901 173.901 176.469 -2.569 25973 400 1 . 1 1 74 74 ARG CA C 74 53.625 53.625 55.833 -2.208 25973 401 1 . 1 1 74 74 ARG CB C 74 28.134 28.134 31.015 -2.881 25973 402 1 . 1 1 74 74 ARG H H 74 8.268 8.268 8.334 -0.066 25973 403 1 . 1 1 75 75 GLY N N 75 110.230 110.230 111.220 -0.990 25973 404 1 . 1 1 75 75 GLY C C 75 171.504 171.504 174.374 -2.870 25973 405 1 . 1 1 75 75 GLY CA C 75 42.404 42.404 44.928 -2.524 25973 406 1 . 1 1 75 75 GLY H H 75 8.367 8.367 8.644 -0.277 25973 stop_ save_