data_18834 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18834 _Entry.PDB_ID 2M10 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 18834 _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 PRO HA H 2 4.474 4.474 4.355 0.119 18834 2 1 1 . 1 1 2 2 PRO C C 2 175.857 175.857 176.190 -0.333 18834 3 1 1 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.082 0.761 18834 4 1 1 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.113 0.155 18834 5 1 1 . 1 1 3 3 LYS N N 3 124.698 124.698 122.456 2.242 18834 6 1 1 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.634 -0.044 18834 7 1 1 . 1 1 3 3 LYS CA C 3 53.618 53.618 53.522 0.096 18834 8 1 1 . 1 1 3 3 LYS CB C 3 31.556 31.556 31.749 -0.193 18834 9 1 1 . 1 1 3 3 LYS H H 3 8.952 8.952 8.238 0.714 18834 10 1 1 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.380 -0.436 18834 11 1 1 . 1 1 4 4 PRO C C 4 177.504 177.504 177.301 0.203 18834 12 1 1 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.391 0.153 18834 13 1 1 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.635 0.135 18834 14 1 1 . 1 1 5 5 GLY N N 5 113.728 113.728 112.892 0.836 18834 15 1 1 . 1 1 5 5 GLY C C 5 174.146 174.146 173.765 0.381 18834 16 1 1 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.809 0.225 18834 17 1 1 . 1 1 5 5 GLY H H 5 9.011 9.011 8.720 0.291 18834 18 1 1 . 1 1 6 6 ASP N N 6 121.776 121.776 120.950 0.826 18834 19 1 1 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.836 -0.166 18834 20 1 1 . 1 1 6 6 ASP C C 6 175.673 175.673 175.650 0.023 18834 21 1 1 . 1 1 6 6 ASP CA C 6 54.918 54.918 53.029 1.889 18834 22 1 1 . 1 1 6 6 ASP CB C 6 41.446 41.446 42.304 -0.858 18834 23 1 1 . 1 1 6 6 ASP H H 6 8.468 8.468 8.118 0.350 18834 24 1 1 . 1 1 7 7 ILE N N 7 121.570 121.570 122.305 -0.735 18834 25 1 1 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.668 0.663 18834 26 1 1 . 1 1 7 7 ILE C C 7 176.824 176.824 175.740 1.084 18834 27 1 1 . 1 1 7 7 ILE CA C 7 59.601 59.601 59.449 0.152 18834 28 1 1 . 1 1 7 7 ILE CB C 7 38.254 38.254 37.643 0.611 18834 29 1 1 . 1 1 7 7 ILE H H 7 8.362 8.362 8.345 0.017 18834 30 1 1 . 1 1 8 8 PHE N N 8 125.816 125.816 124.083 1.733 18834 31 1 1 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.045 0.027 18834 32 1 1 . 1 1 8 8 PHE C C 8 171.149 171.149 173.380 -2.231 18834 33 1 1 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.384 0.145 18834 34 1 1 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.493 -0.181 18834 35 1 1 . 1 1 8 8 PHE H H 8 9.476 9.476 8.777 0.699 18834 36 1 1 . 1 1 9 9 GLU N N 9 118.961 118.961 121.443 -2.482 18834 37 1 1 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.283 0.930 18834 38 1 1 . 1 1 9 9 GLU C C 9 175.995 175.995 175.388 0.607 18834 39 1 1 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.295 -1.306 18834 40 1 1 . 1 1 9 9 GLU CB C 9 33.428 33.428 32.038 1.390 18834 41 1 1 . 1 1 9 9 GLU H H 9 8.490 8.490 8.561 -0.071 18834 42 1 1 . 1 1 10 10 VAL N N 10 119.964 119.964 117.536 2.428 18834 43 1 1 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.539 -0.402 18834 44 1 1 . 1 1 10 10 VAL C C 10 173.221 173.221 173.632 -0.411 18834 45 1 1 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.759 1.332 18834 46 1 1 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.840 0.926 18834 47 1 1 . 1 1 10 10 VAL H H 10 8.577 8.577 7.840 0.737 18834 48 1 1 . 1 1 11 11 GLU N N 11 126.219 126.219 121.583 4.636 18834 49 1 1 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.253 -0.298 18834 50 1 1 . 1 1 11 11 GLU C C 11 174.538 174.538 175.327 -0.789 18834 51 1 1 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.395 0.467 18834 52 1 1 . 1 1 11 11 GLU CB C 11 30.836 30.836 31.635 -0.799 18834 53 1 1 . 1 1 11 11 GLU H H 11 7.794 7.794 8.225 -0.431 18834 54 1 1 . 1 1 12 12 LEU N N 12 126.212 126.212 123.861 2.351 18834 55 1 1 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.774 -0.128 18834 56 1 1 . 1 1 12 12 LEU C C 12 173.916 173.916 175.582 -1.666 18834 57 1 1 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.764 -0.627 18834 58 1 1 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.621 -0.495 18834 59 1 1 . 1 1 12 12 LEU H H 12 8.848 8.848 8.713 0.135 18834 60 1 1 . 1 1 13 13 ALA N N 13 126.357 126.357 125.520 0.837 18834 61 1 1 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.290 0.805 18834 62 1 1 . 1 1 13 13 ALA C C 13 177.352 177.352 176.446 0.906 18834 63 1 1 . 1 1 13 13 ALA CA C 13 49.920 49.920 52.263 -2.343 18834 64 1 1 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.227 0.151 18834 65 1 1 . 1 1 13 13 ALA H H 13 8.494 8.494 8.746 -0.253 18834 66 1 1 . 1 1 14 14 LYS N N 14 120.000 120.000 123.524 -3.524 18834 67 1 1 . 1 1 14 14 LYS HA H 14 3.752 3.752 3.988 -0.236 18834 68 1 1 . 1 1 14 14 LYS C C 14 176.313 176.313 175.984 0.329 18834 69 1 1 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.347 0.415 18834 70 1 1 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.059 1.410 18834 71 1 1 . 1 1 14 14 LYS H H 14 8.496 8.496 8.489 0.007 18834 72 1 1 . 1 1 15 15 ASN N N 15 117.473 117.473 117.150 0.323 18834 73 1 1 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.520 0.397 18834 74 1 1 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.390 -0.903 18834 75 1 1 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.211 2.474 18834 76 1 1 . 1 1 15 15 ASN H H 15 8.079 8.079 8.320 -0.241 18834 77 1 1 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.409 -0.150 18834 78 1 1 . 1 1 16 16 ASP C C 16 175.515 175.515 175.704 -0.189 18834 79 1 1 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.278 0.242 18834 80 1 1 . 1 1 16 16 ASP CB C 16 39.303 39.303 40.163 -0.860 18834 81 1 1 . 1 1 17 17 ASN N N 17 110.160 110.160 111.593 -1.433 18834 82 1 1 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.208 0.024 18834 83 1 1 . 1 1 17 17 ASN C C 17 174.550 174.550 173.971 0.579 18834 84 1 1 . 1 1 17 17 ASN CA C 17 54.349 54.349 55.108 -0.759 18834 85 1 1 . 1 1 17 17 ASN CB C 17 38.455 38.455 37.851 0.604 18834 86 1 1 . 1 1 17 17 ASN H H 17 8.959 8.959 8.750 0.209 18834 87 1 1 . 1 1 18 18 SER N N 18 112.013 112.013 115.173 -3.160 18834 88 1 1 . 1 1 18 18 SER HA H 18 4.976 4.976 4.636 0.340 18834 89 1 1 . 1 1 18 18 SER CA C 18 56.519 56.519 57.688 -1.169 18834 90 1 1 . 1 1 18 18 SER CB C 18 65.053 65.053 64.908 0.145 18834 91 1 1 . 1 1 18 18 SER H H 18 7.892 7.892 7.456 0.436 18834 92 1 1 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.840 -0.584 18834 93 1 1 . 1 1 19 19 LEU C C 19 176.996 176.996 176.280 0.716 18834 94 1 1 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.045 1.900 18834 95 1 1 . 1 1 19 19 LEU CB C 19 43.178 43.178 43.520 -0.341 18834 96 1 1 . 1 1 20 20 GLY N N 20 105.651 105.651 107.987 -2.336 18834 97 1 1 . 1 1 20 20 GLY C C 20 176.218 176.218 173.082 3.136 18834 98 1 1 . 1 1 20 20 GLY CA C 20 46.868 46.868 45.339 1.529 18834 99 1 1 . 1 1 20 20 GLY H H 20 8.804 8.804 8.364 0.440 18834 100 1 1 . 1 1 21 21 ILE N N 21 115.348 115.348 120.605 -5.257 18834 101 1 1 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.335 0.507 18834 102 1 1 . 1 1 21 21 ILE C C 21 175.987 175.987 174.948 1.039 18834 103 1 1 . 1 1 21 21 ILE CA C 21 59.795 59.795 60.008 -0.213 18834 104 1 1 . 1 1 21 21 ILE CB C 21 42.334 42.334 39.792 2.542 18834 105 1 1 . 1 1 21 21 ILE H H 21 7.775 7.775 7.771 0.004 18834 106 1 1 . 1 1 22 22 CYS N N 22 123.503 123.503 118.583 4.920 18834 107 1 1 . 1 1 22 22 CYS C C 22 176.187 176.187 173.386 2.801 18834 108 1 1 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.133 -4.354 18834 109 1 1 . 1 1 22 22 CYS CB C 22 36.527 36.527 30.342 6.185 18834 110 1 1 . 1 1 22 22 CYS H H 22 8.533 8.533 8.155 0.378 18834 111 1 1 . 1 1 23 23 VAL N N 23 114.882 114.882 115.082 -0.200 18834 112 1 1 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.236 0.212 18834 113 1 1 . 1 1 23 23 VAL C C 23 174.219 174.219 174.055 0.164 18834 114 1 1 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.492 -1.071 18834 115 1 1 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.429 -0.335 18834 116 1 1 . 1 1 23 23 VAL H H 23 7.720 7.720 8.395 -0.675 18834 117 1 1 . 1 1 24 24 THR N N 24 115.462 115.462 113.611 1.851 18834 118 1 1 . 1 1 24 24 THR HA H 24 4.691 4.691 4.512 0.179 18834 119 1 1 . 1 1 24 24 THR C C 24 171.649 171.649 173.532 -1.883 18834 120 1 1 . 1 1 24 24 THR CA C 24 59.560 59.560 60.143 -0.583 18834 121 1 1 . 1 1 24 24 THR CB C 24 70.573 70.573 69.614 0.959 18834 122 1 1 . 1 1 24 24 THR H H 24 9.175 9.175 8.269 0.906 18834 123 1 1 . 1 1 25 25 GLY N N 25 111.734 111.734 110.996 0.738 18834 124 1 1 . 1 1 25 25 GLY C C 25 174.216 174.216 174.285 -0.069 18834 125 1 1 . 1 1 25 25 GLY CA C 25 44.664 44.664 45.150 -0.485 18834 126 1 1 . 1 1 25 25 GLY H H 25 8.323 8.323 8.673 -0.350 18834 127 1 1 . 1 1 26 26 GLY N N 26 107.524 107.524 108.753 -1.229 18834 128 1 1 . 1 1 26 26 GLY C C 26 176.306 176.306 175.115 1.191 18834 129 1 1 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.654 -1.884 18834 130 1 1 . 1 1 26 26 GLY H H 26 7.541 7.541 8.046 -0.505 18834 131 1 1 . 1 1 27 27 VAL N N 27 116.903 116.903 124.610 -7.707 18834 132 1 1 . 1 1 27 27 VAL HA H 27 4.128 4.128 3.959 0.169 18834 133 1 1 . 1 1 27 27 VAL C C 27 175.716 175.716 176.230 -0.514 18834 134 1 1 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.616 1.278 18834 135 1 1 . 1 1 27 27 VAL CB C 27 31.963 31.963 30.890 1.073 18834 136 1 1 . 1 1 27 27 VAL H H 27 8.055 8.055 8.162 -0.107 18834 137 1 1 . 1 1 28 28 ASN N N 28 117.840 117.840 115.153 2.687 18834 138 1 1 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.479 0.324 18834 139 1 1 . 1 1 28 28 ASN C C 28 174.846 174.846 175.315 -0.469 18834 140 1 1 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.398 -0.918 18834 141 1 1 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.847 -0.093 18834 142 1 1 . 1 1 28 28 ASN H H 28 8.779 8.779 7.802 0.977 18834 143 1 1 . 1 1 29 29 THR N N 29 111.408 111.408 112.640 -1.232 18834 144 1 1 . 1 1 29 29 THR HA H 29 4.690 4.690 4.244 0.446 18834 145 1 1 . 1 1 29 29 THR CA C 29 61.624 61.624 61.947 -0.322 18834 146 1 1 . 1 1 29 29 THR CB C 29 70.939 70.939 69.615 1.324 18834 147 1 1 . 1 1 29 29 THR H H 29 7.857 7.857 7.847 0.010 18834 148 1 1 . 1 1 30 30 SER N N 30 113.816 113.816 115.967 -2.151 18834 149 1 1 . 1 1 30 30 SER HA H 30 4.537 4.537 4.090 0.447 18834 150 1 1 . 1 1 30 30 SER C C 30 174.867 174.867 174.523 0.344 18834 151 1 1 . 1 1 30 30 SER CA C 30 58.369 58.369 60.369 -2.000 18834 152 1 1 . 1 1 30 30 SER CB C 30 63.547 63.547 62.758 0.789 18834 153 1 1 . 1 1 30 30 SER H H 30 8.438 8.438 8.480 -0.042 18834 154 1 1 . 1 1 31 31 VAL N N 31 118.013 118.013 117.470 0.543 18834 155 1 1 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.844 0.254 18834 156 1 1 . 1 1 31 31 VAL C C 31 176.528 176.528 177.071 -0.543 18834 157 1 1 . 1 1 31 31 VAL CA C 31 62.070 62.070 61.896 0.174 18834 158 1 1 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.721 -0.214 18834 159 1 1 . 1 1 31 31 VAL H H 31 7.567 7.567 7.401 0.166 18834 160 1 1 . 1 1 32 32 ARG N N 32 124.719 124.719 126.417 -1.698 18834 161 1 1 . 1 1 32 32 ARG HA H 32 4.007 4.007 3.944 0.063 18834 162 1 1 . 1 1 32 32 ARG CA C 32 58.009 58.009 59.041 -1.032 18834 163 1 1 . 1 1 32 32 ARG CB C 32 29.571 29.571 29.940 -0.369 18834 164 1 1 . 1 1 32 32 ARG H H 32 8.501 8.501 8.556 -0.055 18834 165 1 1 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.710 -0.133 18834 166 1 1 . 1 1 33 33 HIS C C 33 175.064 175.064 175.812 -0.748 18834 167 1 1 . 1 1 33 33 HIS CA C 33 56.814 56.814 55.691 1.123 18834 168 1 1 . 1 1 33 33 HIS CB C 33 29.091 29.091 29.788 -0.697 18834 169 1 1 . 1 1 34 34 GLY N N 34 109.357 109.357 107.543 1.814 18834 170 1 1 . 1 1 34 34 GLY C C 34 174.616 174.616 174.277 0.339 18834 171 1 1 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.950 0.644 18834 172 1 1 . 1 1 34 34 GLY H H 34 8.469 8.469 7.990 0.479 18834 173 1 1 . 1 1 35 35 GLY N N 35 104.989 104.989 107.374 -2.385 18834 174 1 1 . 1 1 35 35 GLY C C 35 170.518 170.518 174.050 -3.532 18834 175 1 1 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.609 1.032 18834 176 1 1 . 1 1 35 35 GLY H H 35 7.787 7.787 7.657 0.130 18834 177 1 1 . 1 1 36 36 ILE N N 36 119.808 119.808 120.853 -1.045 18834 178 1 1 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.630 0.116 18834 179 1 1 . 1 1 36 36 ILE C C 36 174.616 174.616 175.408 -0.792 18834 180 1 1 . 1 1 36 36 ILE CA C 36 56.955 56.955 61.225 -4.270 18834 181 1 1 . 1 1 36 36 ILE CB C 36 35.618 35.618 37.932 -2.314 18834 182 1 1 . 1 1 36 36 ILE H H 36 8.362 8.362 7.782 0.580 18834 183 1 1 . 1 1 37 37 TYR N N 37 123.168 123.168 127.335 -4.167 18834 184 1 1 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.876 0.392 18834 185 1 1 . 1 1 37 37 TYR C C 37 176.069 176.069 176.343 -0.274 18834 186 1 1 . 1 1 37 37 TYR CA C 37 55.959 55.959 56.772 -0.813 18834 187 1 1 . 1 1 37 37 TYR CB C 37 42.436 42.436 41.019 1.417 18834 188 1 1 . 1 1 37 37 TYR H H 37 8.904 8.904 8.789 0.115 18834 189 1 1 . 1 1 38 38 VAL N N 38 120.273 120.273 123.230 -2.957 18834 190 1 1 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.013 -0.214 18834 191 1 1 . 1 1 38 38 VAL C C 38 175.886 175.886 176.615 -0.729 18834 192 1 1 . 1 1 38 38 VAL CA C 38 64.084 64.084 63.031 1.053 18834 193 1 1 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.858 0.586 18834 194 1 1 . 1 1 38 38 VAL H H 38 9.230 9.230 9.056 0.174 18834 195 1 1 . 1 1 39 39 LYS N N 39 133.619 133.619 130.354 3.265 18834 196 1 1 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.170 0.219 18834 197 1 1 . 1 1 39 39 LYS C C 39 174.763 174.763 175.722 -0.959 18834 198 1 1 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.626 -1.090 18834 199 1 1 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.224 1.315 18834 200 1 1 . 1 1 39 39 LYS H H 39 9.584 9.584 8.390 1.194 18834 201 1 1 . 1 1 40 40 ALA N N 40 117.459 117.459 119.310 -1.851 18834 202 1 1 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.494 0.010 18834 203 1 1 . 1 1 40 40 ALA C C 40 174.686 174.686 174.384 0.302 18834 204 1 1 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.541 0.356 18834 205 1 1 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.665 0.580 18834 206 1 1 . 1 1 40 40 ALA H H 40 7.584 7.584 7.423 0.161 18834 207 1 1 . 1 1 41 41 VAL N N 41 120.599 120.599 122.352 -1.753 18834 208 1 1 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.415 -0.036 18834 209 1 1 . 1 1 41 41 VAL C C 41 175.714 175.714 175.510 0.204 18834 210 1 1 . 1 1 41 41 VAL CA C 41 61.149 61.149 60.845 0.304 18834 211 1 1 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.504 -1.998 18834 212 1 1 . 1 1 41 41 VAL H H 41 8.747 8.747 8.319 0.428 18834 213 1 1 . 1 1 42 42 ILE N N 42 127.775 127.775 124.125 3.650 18834 214 1 1 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.508 -0.381 18834 215 1 1 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.328 1.498 18834 216 1 1 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.112 1.104 18834 217 1 1 . 1 1 42 42 ILE H H 42 7.827 7.827 8.323 -0.496 18834 218 1 1 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.547 -0.072 18834 219 1 1 . 1 1 43 43 PRO C C 43 177.234 177.234 176.931 0.303 18834 220 1 1 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.751 1.427 18834 221 1 1 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.674 -0.873 18834 222 1 1 . 1 1 44 44 GLN N N 44 116.932 116.932 113.290 3.642 18834 223 1 1 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.988 -0.140 18834 224 1 1 . 1 1 44 44 GLN C C 44 175.628 175.628 175.793 -0.165 18834 225 1 1 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.683 0.458 18834 226 1 1 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.797 -1.356 18834 227 1 1 . 1 1 44 44 GLN H H 44 9.388 9.388 8.682 0.706 18834 228 1 1 . 1 1 45 45 GLY N N 45 106.131 106.131 105.207 0.924 18834 229 1 1 . 1 1 45 45 GLY C C 45 174.404 174.404 173.922 0.482 18834 230 1 1 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.666 0.992 18834 231 1 1 . 1 1 45 45 GLY H H 45 7.875 7.875 7.255 0.620 18834 232 1 1 . 1 1 46 46 ALA N N 46 121.011 121.011 123.249 -2.238 18834 233 1 1 . 1 1 46 46 ALA HA H 46 4.051 4.051 3.974 0.077 18834 234 1 1 . 1 1 46 46 ALA C C 46 180.673 180.673 179.044 1.629 18834 235 1 1 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.188 -0.143 18834 236 1 1 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.413 0.095 18834 237 1 1 . 1 1 46 46 ALA H H 46 9.017 9.017 8.823 0.194 18834 238 1 1 . 1 1 47 47 ALA N N 47 118.848 118.848 121.793 -2.945 18834 239 1 1 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.947 0.121 18834 240 1 1 . 1 1 47 47 ALA C C 47 180.699 180.699 179.824 0.875 18834 241 1 1 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.203 -0.286 18834 242 1 1 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.926 0.704 18834 243 1 1 . 1 1 47 47 ALA H H 47 7.754 7.754 8.263 -0.509 18834 244 1 1 . 1 1 48 48 GLU N N 48 124.400 124.400 119.334 5.066 18834 245 1 1 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.062 -0.239 18834 246 1 1 . 1 1 48 48 GLU C C 48 178.174 178.174 179.047 -0.873 18834 247 1 1 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.599 1.310 18834 248 1 1 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.345 0.414 18834 249 1 1 . 1 1 48 48 GLU H H 48 9.317 9.317 8.496 0.821 18834 250 1 1 . 1 1 49 49 SER N N 49 113.388 113.388 114.339 -0.951 18834 251 1 1 . 1 1 49 49 SER HA H 49 4.100 4.100 4.214 -0.114 18834 252 1 1 . 1 1 49 49 SER C C 49 175.693 175.693 176.552 -0.859 18834 253 1 1 . 1 1 49 49 SER CA C 49 61.233 61.233 60.720 0.513 18834 254 1 1 . 1 1 49 49 SER CB C 49 62.780 62.780 63.361 -0.581 18834 255 1 1 . 1 1 49 49 SER H H 49 8.115 8.115 8.364 -0.249 18834 256 1 1 . 1 1 50 50 ASP N N 50 120.047 120.047 119.262 0.785 18834 257 1 1 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.578 -0.200 18834 258 1 1 . 1 1 50 50 ASP C C 50 177.650 177.650 176.802 0.848 18834 259 1 1 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.395 2.819 18834 260 1 1 . 1 1 50 50 ASP CB C 50 44.241 44.241 42.034 2.207 18834 261 1 1 . 1 1 50 50 ASP H H 50 7.609 7.609 8.238 -0.629 18834 262 1 1 . 1 1 51 51 GLY N N 51 102.979 102.979 107.419 -4.440 18834 263 1 1 . 1 1 51 51 GLY C C 51 174.977 174.977 175.238 -0.261 18834 264 1 1 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.695 0.657 18834 265 1 1 . 1 1 51 51 GLY H H 51 7.372 7.372 7.911 -0.539 18834 266 1 1 . 1 1 52 52 ARG N N 52 117.579 117.579 118.496 -0.917 18834 267 1 1 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.448 -0.134 18834 268 1 1 . 1 1 52 52 ARG C C 52 175.886 175.886 175.915 -0.029 18834 269 1 1 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.891 2.003 18834 270 1 1 . 1 1 52 52 ARG CB C 52 33.246 33.246 30.475 2.771 18834 271 1 1 . 1 1 52 52 ARG H H 52 7.966 7.966 8.128 -0.162 18834 272 1 1 . 1 1 53 53 ILE N N 53 120.155 120.155 117.075 3.080 18834 273 1 1 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.402 -0.166 18834 274 1 1 . 1 1 53 53 ILE C C 53 173.773 173.773 173.709 0.064 18834 275 1 1 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.643 0.762 18834 276 1 1 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.694 -2.053 18834 277 1 1 . 1 1 53 53 ILE H H 53 8.225 8.225 7.597 0.628 18834 278 1 1 . 1 1 54 54 HIS N N 54 123.751 123.751 119.825 3.926 18834 279 1 1 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.974 -0.184 18834 280 1 1 . 1 1 54 54 HIS C C 54 173.696 173.696 173.833 -0.137 18834 281 1 1 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.230 0.614 18834 282 1 1 . 1 1 54 54 HIS CB C 54 33.566 33.566 32.090 1.476 18834 283 1 1 . 1 1 54 54 HIS H H 54 9.061 9.061 8.499 0.562 18834 284 1 1 . 1 1 55 55 LYS N N 55 120.590 120.590 121.504 -0.914 18834 285 1 1 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.135 -0.509 18834 286 1 1 . 1 1 55 55 LYS C C 55 176.916 176.916 176.786 0.130 18834 287 1 1 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.539 0.765 18834 288 1 1 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.554 -0.133 18834 289 1 1 . 1 1 55 55 LYS H H 55 8.670 8.670 8.585 0.085 18834 290 1 1 . 1 1 56 56 GLY N N 56 114.645 114.645 112.064 2.581 18834 291 1 1 . 1 1 56 56 GLY C C 56 174.438 174.438 174.491 -0.053 18834 292 1 1 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.870 -0.108 18834 293 1 1 . 1 1 56 56 GLY H H 56 9.201 9.201 8.434 0.767 18834 294 1 1 . 1 1 57 57 ASP N N 57 121.982 121.982 124.165 -2.183 18834 295 1 1 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.942 -0.055 18834 296 1 1 . 1 1 57 57 ASP C C 57 174.623 174.623 174.871 -0.248 18834 297 1 1 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.384 0.452 18834 298 1 1 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.859 -0.776 18834 299 1 1 . 1 1 57 57 ASP H H 57 8.058 8.058 7.408 0.650 18834 300 1 1 . 1 1 58 58 ARG N N 58 123.240 123.240 116.807 6.433 18834 301 1 1 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.892 -0.277 18834 302 1 1 . 1 1 58 58 ARG C C 58 175.573 175.573 174.939 0.634 18834 303 1 1 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.057 0.464 18834 304 1 1 . 1 1 58 58 ARG CB C 58 33.701 33.701 33.286 0.415 18834 305 1 1 . 1 1 58 58 ARG H H 58 9.078 9.078 8.513 0.565 18834 306 1 1 . 1 1 59 59 VAL N N 59 126.202 126.202 120.258 5.944 18834 307 1 1 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.256 -0.393 18834 308 1 1 . 1 1 59 59 VAL C C 59 174.458 174.458 175.361 -0.903 18834 309 1 1 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.267 -0.064 18834 310 1 1 . 1 1 59 59 VAL CB C 59 30.998 30.998 32.454 -1.456 18834 311 1 1 . 1 1 59 59 VAL H H 59 8.897 8.897 8.268 0.629 18834 312 1 1 . 1 1 60 60 LEU N N 60 127.163 127.163 126.527 0.636 18834 313 1 1 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.471 -0.175 18834 314 1 1 . 1 1 60 60 LEU C C 60 178.289 178.289 176.239 2.050 18834 315 1 1 . 1 1 60 60 LEU CA C 60 56.054 56.054 55.912 0.142 18834 316 1 1 . 1 1 60 60 LEU CB C 60 42.612 42.612 43.270 -0.658 18834 317 1 1 . 1 1 60 60 LEU H H 60 9.213 9.213 8.547 0.666 18834 318 1 1 . 1 1 61 61 ALA N N 61 118.886 118.886 117.801 1.085 18834 319 1 1 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.169 -0.215 18834 320 1 1 . 1 1 61 61 ALA C C 61 175.288 175.288 175.281 0.007 18834 321 1 1 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.427 1.852 18834 322 1 1 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.370 -0.274 18834 323 1 1 . 1 1 61 61 ALA H H 61 7.741 7.741 7.308 0.433 18834 324 1 1 . 1 1 62 62 VAL N N 62 119.929 119.929 120.162 -0.233 18834 325 1 1 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.270 0.180 18834 326 1 1 . 1 1 62 62 VAL C C 62 175.323 175.323 175.962 -0.639 18834 327 1 1 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.964 -0.546 18834 328 1 1 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.841 0.209 18834 329 1 1 . 1 1 62 62 VAL H H 62 8.256 8.256 8.364 -0.108 18834 330 1 1 . 1 1 63 63 ASN N N 63 128.933 128.933 127.251 1.682 18834 331 1 1 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.432 0.113 18834 332 1 1 . 1 1 63 63 ASN C C 63 175.197 175.197 175.171 0.026 18834 333 1 1 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.412 -0.244 18834 334 1 1 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.950 -1.054 18834 335 1 1 . 1 1 63 63 ASN H H 63 10.392 10.392 9.309 1.083 18834 336 1 1 . 1 1 64 64 GLY N N 64 103.413 103.413 102.490 0.923 18834 337 1 1 . 1 1 64 64 GLY C C 64 173.872 173.872 174.405 -0.533 18834 338 1 1 . 1 1 64 64 GLY CA C 64 45.171 45.171 44.945 0.226 18834 339 1 1 . 1 1 64 64 GLY H H 64 9.085 9.085 8.459 0.626 18834 340 1 1 . 1 1 65 65 VAL N N 65 123.643 123.643 124.796 -1.153 18834 341 1 1 . 1 1 65 65 VAL HA H 65 3.948 3.948 3.978 -0.030 18834 342 1 1 . 1 1 65 65 VAL C C 65 175.645 175.645 175.729 -0.084 18834 343 1 1 . 1 1 65 65 VAL CA C 65 62.136 62.136 62.428 -0.292 18834 344 1 1 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.649 -0.009 18834 345 1 1 . 1 1 65 65 VAL H H 65 8.028 8.028 7.847 0.181 18834 346 1 1 . 1 1 66 66 SER N N 66 120.923 120.923 124.761 -3.838 18834 347 1 1 . 1 1 66 66 SER HA H 66 4.334 4.334 4.189 0.145 18834 348 1 1 . 1 1 66 66 SER C C 66 176.388 176.388 173.890 2.498 18834 349 1 1 . 1 1 66 66 SER CA C 66 58.342 58.342 59.720 -1.378 18834 350 1 1 . 1 1 66 66 SER CB C 66 63.562 63.562 63.225 0.337 18834 351 1 1 . 1 1 66 66 SER H H 66 8.647 8.647 8.674 -0.027 18834 352 1 1 . 1 1 67 67 LEU N N 67 125.116 125.116 126.417 -1.301 18834 353 1 1 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.607 -0.169 18834 354 1 1 . 1 1 67 67 LEU C C 67 176.462 176.462 176.288 0.174 18834 355 1 1 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.181 -0.449 18834 356 1 1 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.806 -1.916 18834 357 1 1 . 1 1 67 67 LEU H H 67 8.292 8.292 8.761 -0.469 18834 358 1 1 . 1 1 68 68 GLU N N 68 123.552 123.552 119.325 4.227 18834 359 1 1 . 1 1 68 68 GLU HA H 68 4.035 4.035 3.988 0.047 18834 360 1 1 . 1 1 68 68 GLU C C 68 177.767 177.767 176.854 0.913 18834 361 1 1 . 1 1 68 68 GLU CA C 68 58.571 58.571 58.069 0.501 18834 362 1 1 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.288 -0.235 18834 363 1 1 . 1 1 68 68 GLU H H 68 8.305 8.305 7.703 0.602 18834 364 1 1 . 1 1 69 69 GLY N N 69 115.496 115.496 113.248 2.248 18834 365 1 1 . 1 1 69 69 GLY C C 69 173.618 173.618 174.347 -0.729 18834 366 1 1 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.794 0.602 18834 367 1 1 . 1 1 69 69 GLY H H 69 8.977 8.977 8.527 0.450 18834 368 1 1 . 1 1 70 70 ALA N N 70 121.999 121.999 124.283 -2.284 18834 369 1 1 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.604 -0.102 18834 370 1 1 . 1 1 70 70 ALA C C 70 179.820 179.820 176.451 3.369 18834 371 1 1 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.274 1.141 18834 372 1 1 . 1 1 70 70 ALA CB C 70 19.638 19.638 20.160 -0.522 18834 373 1 1 . 1 1 70 70 ALA H H 70 7.807 7.807 8.044 -0.237 18834 374 1 1 . 1 1 71 71 THR N N 71 111.294 111.294 113.705 -2.411 18834 375 1 1 . 1 1 71 71 THR HA H 71 4.515 4.515 4.288 0.227 18834 376 1 1 . 1 1 71 71 THR C C 71 174.717 174.717 176.100 -1.383 18834 377 1 1 . 1 1 71 71 THR CA C 71 60.692 60.692 60.654 0.038 18834 378 1 1 . 1 1 71 71 THR CB C 71 71.274 71.274 70.576 0.698 18834 379 1 1 . 1 1 71 71 THR H H 71 8.222 8.222 7.911 0.311 18834 380 1 1 . 1 1 72 72 HIS N N 72 121.871 121.871 118.279 3.592 18834 381 1 1 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.315 -0.455 18834 382 1 1 . 1 1 72 72 HIS C C 72 176.702 176.702 177.581 -0.879 18834 383 1 1 . 1 1 72 72 HIS CA C 72 61.983 61.983 59.325 2.658 18834 384 1 1 . 1 1 72 72 HIS CB C 72 30.047 30.047 28.843 1.204 18834 385 1 1 . 1 1 72 72 HIS H H 72 9.217 9.217 8.639 0.578 18834 386 1 1 . 1 1 73 73 LYS N N 73 116.941 116.941 119.630 -2.689 18834 387 1 1 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.970 -0.146 18834 388 1 1 . 1 1 73 73 LYS C C 73 178.288 178.288 179.267 -0.979 18834 389 1 1 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.611 -0.261 18834 390 1 1 . 1 1 73 73 LYS CB C 73 32.811 32.811 32.020 0.791 18834 391 1 1 . 1 1 73 73 LYS H H 73 8.429 8.429 7.867 0.562 18834 392 1 1 . 1 1 74 74 GLN N N 74 116.915 116.915 117.811 -0.896 18834 393 1 1 . 1 1 74 74 GLN HA H 74 3.869 3.869 4.023 -0.154 18834 394 1 1 . 1 1 74 74 GLN C C 74 179.732 179.732 178.514 1.218 18834 395 1 1 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.479 0.120 18834 396 1 1 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.174 0.177 18834 397 1 1 . 1 1 74 74 GLN H H 74 7.660 7.660 7.788 -0.128 18834 398 1 1 . 1 1 75 75 ALA N N 75 122.673 122.673 121.979 0.694 18834 399 1 1 . 1 1 75 75 ALA HA H 75 3.788 3.788 4.016 -0.228 18834 400 1 1 . 1 1 75 75 ALA C C 75 179.078 179.078 179.353 -0.275 18834 401 1 1 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.462 0.104 18834 402 1 1 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.305 0.546 18834 403 1 1 . 1 1 75 75 ALA H H 75 8.379 8.379 8.309 0.070 18834 404 1 1 . 1 1 76 76 VAL N N 76 112.831 112.831 115.088 -2.257 18834 405 1 1 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.829 -0.324 18834 406 1 1 . 1 1 76 76 VAL CA C 76 65.895 65.895 64.959 0.936 18834 407 1 1 . 1 1 76 76 VAL CB C 76 30.691 30.691 30.959 -0.268 18834 408 1 1 . 1 1 76 76 VAL H H 76 8.239 8.239 7.496 0.743 18834 409 1 1 . 1 1 77 77 CYS C C 77 177.150 177.150 176.979 0.171 18834 410 1 1 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.372 -2.981 18834 411 1 1 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.488 10.294 18834 412 1 1 . 1 1 78 78 THR N N 78 117.507 117.507 116.242 1.265 18834 413 1 1 . 1 1 78 78 THR HA H 78 3.858 3.858 4.051 -0.193 18834 414 1 1 . 1 1 78 78 THR C C 78 176.460 176.460 175.799 0.661 18834 415 1 1 . 1 1 78 78 THR CA C 78 67.123 67.123 66.092 1.031 18834 416 1 1 . 1 1 78 78 THR CB C 78 68.123 68.123 68.752 -0.629 18834 417 1 1 . 1 1 78 78 THR H H 78 8.015 8.015 8.137 -0.122 18834 418 1 1 . 1 1 79 79 LEU N N 79 119.666 119.666 119.545 0.121 18834 419 1 1 . 1 1 79 79 LEU HA H 79 3.750 3.750 3.973 -0.223 18834 420 1 1 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.273 0.916 18834 421 1 1 . 1 1 79 79 LEU CB C 79 42.072 42.072 42.023 0.049 18834 422 1 1 . 1 1 79 79 LEU H H 79 7.984 7.984 7.631 0.353 18834 423 1 1 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.129 0.068 18834 424 1 1 . 1 1 80 80 ARG C C 80 177.750 177.750 178.972 -1.222 18834 425 1 1 . 1 1 80 80 ARG CA C 80 58.307 58.307 57.356 0.951 18834 426 1 1 . 1 1 80 80 ARG CB C 80 30.092 30.092 29.869 0.223 18834 427 1 1 . 1 1 81 81 ASN N N 81 119.843 119.843 119.260 0.583 18834 428 1 1 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.657 0.327 18834 429 1 1 . 1 1 81 81 ASN C C 81 174.819 174.819 175.107 -0.288 18834 430 1 1 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.475 -0.362 18834 431 1 1 . 1 1 81 81 ASN CB C 81 37.668 37.668 36.783 0.885 18834 432 1 1 . 1 1 81 81 ASN H H 81 7.648 7.648 8.137 -0.489 18834 433 1 1 . 1 1 82 82 THR N N 82 109.907 109.907 110.777 -0.870 18834 434 1 1 . 1 1 82 82 THR HA H 82 4.447 4.447 4.730 -0.283 18834 435 1 1 . 1 1 82 82 THR C C 82 175.114 175.114 174.316 0.798 18834 436 1 1 . 1 1 82 82 THR CA C 82 59.944 59.944 60.411 -0.467 18834 437 1 1 . 1 1 82 82 THR CB C 82 72.611 72.611 72.009 0.602 18834 438 1 1 . 1 1 82 82 THR H H 82 7.668 7.668 7.804 -0.136 18834 439 1 1 . 1 1 83 83 GLY N N 83 109.505 109.505 106.510 2.995 18834 440 1 1 . 1 1 83 83 GLY C C 83 173.467 173.467 174.167 -0.700 18834 441 1 1 . 1 1 83 83 GLY CA C 83 44.092 44.092 43.980 0.112 18834 442 1 1 . 1 1 83 83 GLY H H 83 8.421 8.421 8.448 -0.027 18834 443 1 1 . 1 1 84 84 GLN N N 84 117.276 117.276 118.944 -1.668 18834 444 1 1 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.339 -0.376 18834 445 1 1 . 1 1 84 84 GLN C C 84 175.254 175.254 176.576 -1.322 18834 446 1 1 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.094 0.349 18834 447 1 1 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.251 -0.278 18834 448 1 1 . 1 1 84 84 GLN H H 84 8.224 8.224 8.361 -0.137 18834 449 1 1 . 1 1 85 85 VAL N N 85 116.186 116.186 117.133 -0.947 18834 450 1 1 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.279 0.375 18834 451 1 1 . 1 1 85 85 VAL C C 85 175.879 175.879 175.213 0.666 18834 452 1 1 . 1 1 85 85 VAL CA C 85 61.298 61.298 62.400 -1.102 18834 453 1 1 . 1 1 85 85 VAL CB C 85 33.130 33.130 32.980 0.150 18834 454 1 1 . 1 1 85 85 VAL H H 85 7.699 7.699 7.747 -0.048 18834 455 1 1 . 1 1 86 86 VAL N N 86 128.499 128.499 125.207 3.292 18834 456 1 1 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.291 0.156 18834 457 1 1 . 1 1 86 86 VAL C C 86 173.365 173.365 174.354 -0.989 18834 458 1 1 . 1 1 86 86 VAL CA C 86 60.965 60.965 61.360 -0.395 18834 459 1 1 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.237 1.750 18834 460 1 1 . 1 1 86 86 VAL H H 86 9.043 9.043 9.084 -0.041 18834 461 1 1 . 1 1 87 87 HIS N N 87 126.357 126.357 127.516 -1.159 18834 462 1 1 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.252 -0.256 18834 463 1 1 . 1 1 87 87 HIS C C 87 174.387 174.387 174.035 0.352 18834 464 1 1 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.730 1.071 18834 465 1 1 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.094 0.085 18834 466 1 1 . 1 1 87 87 HIS H H 87 8.855 8.855 8.814 0.041 18834 467 1 1 . 1 1 88 88 LEU N N 88 126.780 126.780 122.719 4.061 18834 468 1 1 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.906 0.054 18834 469 1 1 . 1 1 88 88 LEU C C 88 173.365 173.365 173.810 -0.445 18834 470 1 1 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.908 -0.414 18834 471 1 1 . 1 1 88 88 LEU CB C 88 45.187 45.187 45.316 -0.129 18834 472 1 1 . 1 1 88 88 LEU H H 88 9.016 9.016 8.088 0.928 18834 473 1 1 . 1 1 89 89 LEU N N 89 124.435 124.435 122.541 1.894 18834 474 1 1 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.802 -0.081 18834 475 1 1 . 1 1 89 89 LEU C C 89 175.213 175.213 176.219 -1.006 18834 476 1 1 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.183 -0.522 18834 477 1 1 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.477 2.914 18834 478 1 1 . 1 1 89 89 LEU H H 89 7.965 7.965 7.918 0.047 18834 479 1 1 . 1 1 90 90 LEU N N 90 127.444 127.444 120.229 7.215 18834 480 1 1 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.097 0.186 18834 481 1 1 . 1 1 90 90 LEU C C 90 173.560 173.560 175.374 -1.814 18834 482 1 1 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.031 2.057 18834 483 1 1 . 1 1 90 90 LEU CB C 90 45.956 45.956 43.923 2.033 18834 484 1 1 . 1 1 90 90 LEU H H 90 8.909 8.909 8.657 0.252 18834 485 1 1 . 1 1 91 91 GLU N N 91 118.954 118.954 119.391 -0.437 18834 486 1 1 . 1 1 91 91 GLU HA H 91 5.062 5.062 5.117 -0.055 18834 487 1 1 . 1 1 91 91 GLU C C 91 176.652 176.652 175.700 0.952 18834 488 1 1 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.036 -0.249 18834 489 1 1 . 1 1 91 91 GLU CB C 91 33.846 33.846 34.052 -0.206 18834 490 1 1 . 1 1 91 91 GLU H H 91 8.813 8.813 8.784 0.029 18834 491 1 1 . 1 1 92 92 LYS N N 92 129.055 129.055 125.567 3.488 18834 492 1 1 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.510 -0.123 18834 493 1 1 . 1 1 92 92 LYS C C 92 178.000 178.000 177.008 0.992 18834 494 1 1 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.350 -0.088 18834 495 1 1 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.367 -0.296 18834 496 1 1 . 1 1 92 92 LYS H H 92 9.362 9.362 8.259 1.103 18834 497 1 1 . 1 1 93 93 GLY N N 93 117.893 117.893 110.025 7.868 18834 498 1 1 . 1 1 93 93 GLY C C 93 173.147 173.147 175.279 -2.132 18834 499 1 1 . 1 1 93 93 GLY CA C 93 45.173 45.173 44.703 0.470 18834 500 1 1 . 1 1 93 93 GLY H H 93 9.698 9.698 9.334 0.364 18834 501 1 1 . 1 1 94 94 GLN N N 94 116.797 116.797 119.667 -2.870 18834 502 1 1 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.204 0.058 18834 503 1 1 . 1 1 94 94 GLN C C 94 175.942 175.942 175.910 0.032 18834 504 1 1 . 1 1 94 94 GLN CA C 94 55.514 55.514 57.208 -1.694 18834 505 1 1 . 1 1 94 94 GLN CB C 94 29.688 29.688 29.092 0.596 18834 506 1 1 . 1 1 94 94 GLN H H 94 8.252 8.252 8.167 0.085 18834 507 1 1 . 1 1 95 95 SER N N 95 118.117 118.117 117.139 0.978 18834 508 1 1 . 1 1 95 95 SER HA H 95 4.658 4.658 4.454 0.204 18834 509 1 1 . 1 1 95 95 SER CA C 95 56.588 56.588 57.493 -0.905 18834 510 1 1 . 1 1 95 95 SER CB C 95 63.194 63.194 63.255 -0.062 18834 511 1 1 . 1 1 95 95 SER H H 95 8.377 8.377 8.202 0.175 18834 512 1 1 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.494 -0.017 18834 513 1 1 . 1 1 96 96 PRO C C 96 176.291 176.291 175.762 0.529 18834 514 1 1 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.986 0.525 18834 515 1 1 . 1 1 96 96 PRO CB C 96 31.953 31.953 31.422 0.531 18834 516 1 2 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.496 -0.022 18834 517 1 2 . 1 1 2 2 PRO C C 2 175.857 175.857 175.858 -0.001 18834 518 1 2 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.483 0.360 18834 519 1 2 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.584 -0.316 18834 520 1 2 . 1 1 3 3 LYS N N 3 124.698 124.698 121.089 3.609 18834 521 1 2 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.478 0.112 18834 522 1 2 . 1 1 3 3 LYS CA C 3 53.618 53.618 54.409 -0.791 18834 523 1 2 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.246 -0.690 18834 524 1 2 . 1 1 3 3 LYS H H 3 8.952 8.952 8.260 0.692 18834 525 1 2 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.334 -0.390 18834 526 1 2 . 1 1 4 4 PRO C C 4 177.504 177.504 177.588 -0.084 18834 527 1 2 . 1 1 4 4 PRO CA C 4 64.544 64.544 63.906 0.638 18834 528 1 2 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.520 0.250 18834 529 1 2 . 1 1 5 5 GLY N N 5 113.728 113.728 113.270 0.458 18834 530 1 2 . 1 1 5 5 GLY C C 5 174.146 174.146 173.936 0.210 18834 531 1 2 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.854 0.179 18834 532 1 2 . 1 1 5 5 GLY H H 5 9.011 9.011 8.694 0.317 18834 533 1 2 . 1 1 6 6 ASP N N 6 121.776 121.776 121.539 0.237 18834 534 1 2 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.722 -0.052 18834 535 1 2 . 1 1 6 6 ASP C C 6 175.673 175.673 175.739 -0.066 18834 536 1 2 . 1 1 6 6 ASP CA C 6 54.918 54.918 54.036 0.882 18834 537 1 2 . 1 1 6 6 ASP CB C 6 41.446 41.446 41.857 -0.411 18834 538 1 2 . 1 1 6 6 ASP H H 6 8.468 8.468 7.933 0.535 18834 539 1 2 . 1 1 7 7 ILE N N 7 121.570 121.570 123.865 -2.295 18834 540 1 2 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.881 0.450 18834 541 1 2 . 1 1 7 7 ILE C C 7 176.824 176.824 176.001 0.823 18834 542 1 2 . 1 1 7 7 ILE CA C 7 59.601 59.601 59.314 0.287 18834 543 1 2 . 1 1 7 7 ILE CB C 7 38.254 38.254 37.660 0.594 18834 544 1 2 . 1 1 7 7 ILE H H 7 8.362 8.362 8.392 -0.030 18834 545 1 2 . 1 1 8 8 PHE N N 8 125.816 125.816 125.406 0.410 18834 546 1 2 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.003 0.069 18834 547 1 2 . 1 1 8 8 PHE C C 8 171.149 171.149 173.592 -2.443 18834 548 1 2 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.208 0.321 18834 549 1 2 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.574 -0.262 18834 550 1 2 . 1 1 8 8 PHE H H 8 9.476 9.476 8.644 0.832 18834 551 1 2 . 1 1 9 9 GLU N N 9 118.961 118.961 120.500 -1.539 18834 552 1 2 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.450 0.763 18834 553 1 2 . 1 1 9 9 GLU C C 9 175.995 175.995 175.928 0.067 18834 554 1 2 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.403 -1.414 18834 555 1 2 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.278 2.150 18834 556 1 2 . 1 1 9 9 GLU H H 9 8.490 8.490 8.525 -0.035 18834 557 1 2 . 1 1 10 10 VAL N N 10 119.964 119.964 118.711 1.253 18834 558 1 2 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.650 -0.513 18834 559 1 2 . 1 1 10 10 VAL C C 10 173.221 173.221 174.210 -0.989 18834 560 1 2 . 1 1 10 10 VAL CA C 10 61.091 61.091 60.027 1.064 18834 561 1 2 . 1 1 10 10 VAL CB C 10 36.766 36.766 36.015 0.751 18834 562 1 2 . 1 1 10 10 VAL H H 10 8.577 8.577 7.999 0.578 18834 563 1 2 . 1 1 11 11 GLU N N 11 126.219 126.219 122.241 3.978 18834 564 1 2 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.131 -0.176 18834 565 1 2 . 1 1 11 11 GLU C C 11 174.538 174.538 175.295 -0.757 18834 566 1 2 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.470 0.392 18834 567 1 2 . 1 1 11 11 GLU CB C 11 30.836 30.836 31.283 -0.447 18834 568 1 2 . 1 1 11 11 GLU H H 11 7.794 7.794 8.361 -0.567 18834 569 1 2 . 1 1 12 12 LEU N N 12 126.212 126.212 124.967 1.245 18834 570 1 2 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.692 -0.046 18834 571 1 2 . 1 1 12 12 LEU C C 12 173.916 173.916 174.769 -0.853 18834 572 1 2 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.911 -0.774 18834 573 1 2 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.441 -0.315 18834 574 1 2 . 1 1 12 12 LEU H H 12 8.848 8.848 8.236 0.612 18834 575 1 2 . 1 1 13 13 ALA N N 13 126.357 126.357 126.383 -0.026 18834 576 1 2 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.351 0.744 18834 577 1 2 . 1 1 13 13 ALA C C 13 177.352 177.352 177.361 -0.009 18834 578 1 2 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.406 -1.486 18834 579 1 2 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.520 -0.143 18834 580 1 2 . 1 1 13 13 ALA H H 13 8.494 8.494 8.450 0.044 18834 581 1 2 . 1 1 14 14 LYS N N 14 120.000 120.000 123.177 -3.177 18834 582 1 2 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.080 -0.328 18834 583 1 2 . 1 1 14 14 LYS C C 14 176.313 176.313 176.277 0.036 18834 584 1 2 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.281 0.481 18834 585 1 2 . 1 1 14 14 LYS CB C 14 34.469 34.469 32.951 1.518 18834 586 1 2 . 1 1 14 14 LYS H H 14 8.496 8.496 7.972 0.524 18834 587 1 2 . 1 1 15 15 ASN N N 15 117.473 117.473 117.278 0.195 18834 588 1 2 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.429 0.488 18834 589 1 2 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.213 -0.726 18834 590 1 2 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.914 1.770 18834 591 1 2 . 1 1 15 15 ASN H H 15 8.079 8.079 8.139 -0.060 18834 592 1 2 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.261 -0.002 18834 593 1 2 . 1 1 16 16 ASP C C 16 175.515 175.515 175.201 0.314 18834 594 1 2 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.229 0.291 18834 595 1 2 . 1 1 16 16 ASP CB C 16 39.303 39.303 39.974 -0.671 18834 596 1 2 . 1 1 17 17 ASN N N 17 110.160 110.160 111.183 -1.023 18834 597 1 2 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.247 -0.015 18834 598 1 2 . 1 1 17 17 ASN C C 17 174.550 174.550 174.115 0.435 18834 599 1 2 . 1 1 17 17 ASN CA C 17 54.349 54.349 54.540 -0.191 18834 600 1 2 . 1 1 17 17 ASN CB C 17 38.455 38.455 37.706 0.749 18834 601 1 2 . 1 1 17 17 ASN H H 17 8.959 8.959 8.609 0.350 18834 602 1 2 . 1 1 18 18 SER N N 18 112.013 112.013 115.658 -3.645 18834 603 1 2 . 1 1 18 18 SER HA H 18 4.976 4.976 4.460 0.516 18834 604 1 2 . 1 1 18 18 SER CA C 18 56.519 56.519 58.445 -1.926 18834 605 1 2 . 1 1 18 18 SER CB C 18 65.053 65.053 63.556 1.497 18834 606 1 2 . 1 1 18 18 SER H H 18 7.892 7.892 7.727 0.165 18834 607 1 2 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.634 -0.378 18834 608 1 2 . 1 1 19 19 LEU C C 19 176.996 176.996 176.181 0.815 18834 609 1 2 . 1 1 19 19 LEU CA C 19 55.945 55.945 53.876 2.069 18834 610 1 2 . 1 1 19 19 LEU CB C 19 43.178 43.178 43.778 -0.600 18834 611 1 2 . 1 1 20 20 GLY N N 20 105.651 105.651 108.162 -2.511 18834 612 1 2 . 1 1 20 20 GLY C C 20 176.218 176.218 174.190 2.028 18834 613 1 2 . 1 1 20 20 GLY CA C 20 46.868 46.868 44.631 2.237 18834 614 1 2 . 1 1 20 20 GLY H H 20 8.804 8.804 8.457 0.347 18834 615 1 2 . 1 1 21 21 ILE N N 21 115.348 115.348 120.052 -4.704 18834 616 1 2 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.788 0.054 18834 617 1 2 . 1 1 21 21 ILE C C 21 175.987 175.987 175.871 0.116 18834 618 1 2 . 1 1 21 21 ILE CA C 21 59.795 59.795 58.552 1.243 18834 619 1 2 . 1 1 21 21 ILE CB C 21 42.334 42.334 38.901 3.433 18834 620 1 2 . 1 1 21 21 ILE H H 21 7.775 7.775 7.814 -0.039 18834 621 1 2 . 1 1 22 22 CYS N N 22 123.503 123.503 119.223 4.280 18834 622 1 2 . 1 1 22 22 CYS C C 22 176.187 176.187 173.687 2.500 18834 623 1 2 . 1 1 22 22 CYS CA C 22 53.779 53.779 57.875 -4.096 18834 624 1 2 . 1 1 22 22 CYS CB C 22 36.527 36.527 29.360 7.167 18834 625 1 2 . 1 1 22 22 CYS H H 22 8.533 8.533 8.242 0.291 18834 626 1 2 . 1 1 23 23 VAL N N 23 114.882 114.882 115.325 -0.443 18834 627 1 2 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.233 0.215 18834 628 1 2 . 1 1 23 23 VAL C C 23 174.219 174.219 174.062 0.157 18834 629 1 2 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.215 -0.793 18834 630 1 2 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.429 -0.335 18834 631 1 2 . 1 1 23 23 VAL H H 23 7.720 7.720 8.433 -0.713 18834 632 1 2 . 1 1 24 24 THR N N 24 115.462 115.462 113.291 2.171 18834 633 1 2 . 1 1 24 24 THR HA H 24 4.691 4.691 4.685 0.006 18834 634 1 2 . 1 1 24 24 THR C C 24 171.649 171.649 173.110 -1.461 18834 635 1 2 . 1 1 24 24 THR CA C 24 59.560 59.560 60.504 -0.944 18834 636 1 2 . 1 1 24 24 THR CB C 24 70.573 70.573 69.636 0.937 18834 637 1 2 . 1 1 24 24 THR H H 24 9.175 9.175 8.559 0.616 18834 638 1 2 . 1 1 25 25 GLY N N 25 111.734 111.734 110.673 1.061 18834 639 1 2 . 1 1 25 25 GLY C C 25 174.216 174.216 173.461 0.755 18834 640 1 2 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.773 -0.109 18834 641 1 2 . 1 1 25 25 GLY H H 25 8.323 8.323 8.446 -0.123 18834 642 1 2 . 1 1 26 26 GLY N N 26 107.524 107.524 107.884 -0.360 18834 643 1 2 . 1 1 26 26 GLY C C 26 176.306 176.306 174.606 1.700 18834 644 1 2 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.369 -1.599 18834 645 1 2 . 1 1 26 26 GLY H H 26 7.541 7.541 7.846 -0.305 18834 646 1 2 . 1 1 27 27 VAL N N 27 116.903 116.903 122.671 -5.768 18834 647 1 2 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.001 0.127 18834 648 1 2 . 1 1 27 27 VAL C C 27 175.716 175.716 176.484 -0.768 18834 649 1 2 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.600 1.294 18834 650 1 2 . 1 1 27 27 VAL CB C 27 31.963 31.963 30.210 1.753 18834 651 1 2 . 1 1 27 27 VAL H H 27 8.055 8.055 8.381 -0.326 18834 652 1 2 . 1 1 28 28 ASN N N 28 117.840 117.840 111.953 5.887 18834 653 1 2 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.503 0.300 18834 654 1 2 . 1 1 28 28 ASN C C 28 174.846 174.846 174.841 0.005 18834 655 1 2 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.250 -0.770 18834 656 1 2 . 1 1 28 28 ASN CB C 28 37.754 37.754 36.733 1.021 18834 657 1 2 . 1 1 28 28 ASN H H 28 8.779 8.779 8.417 0.362 18834 658 1 2 . 1 1 29 29 THR N N 29 111.408 111.408 110.266 1.142 18834 659 1 2 . 1 1 29 29 THR HA H 29 4.690 4.690 4.168 0.522 18834 660 1 2 . 1 1 29 29 THR CA C 29 61.624 61.624 62.292 -0.668 18834 661 1 2 . 1 1 29 29 THR CB C 29 70.939 70.939 69.011 1.928 18834 662 1 2 . 1 1 29 29 THR H H 29 7.857 7.857 7.563 0.294 18834 663 1 2 . 1 1 30 30 SER N N 30 113.816 113.816 114.084 -0.268 18834 664 1 2 . 1 1 30 30 SER HA H 30 4.537 4.537 4.146 0.391 18834 665 1 2 . 1 1 30 30 SER C C 30 174.867 174.867 174.994 -0.127 18834 666 1 2 . 1 1 30 30 SER CA C 30 58.369 58.369 59.952 -1.583 18834 667 1 2 . 1 1 30 30 SER CB C 30 63.547 63.547 62.654 0.893 18834 668 1 2 . 1 1 30 30 SER H H 30 8.438 8.438 8.447 -0.009 18834 669 1 2 . 1 1 31 31 VAL N N 31 118.013 118.013 117.002 1.011 18834 670 1 2 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.772 0.326 18834 671 1 2 . 1 1 31 31 VAL C C 31 176.528 176.528 176.981 -0.453 18834 672 1 2 . 1 1 31 31 VAL CA C 31 62.070 62.070 62.503 -0.433 18834 673 1 2 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.461 0.046 18834 674 1 2 . 1 1 31 31 VAL H H 31 7.567 7.567 7.417 0.150 18834 675 1 2 . 1 1 32 32 ARG N N 32 124.719 124.719 128.185 -3.466 18834 676 1 2 . 1 1 32 32 ARG HA H 32 4.007 4.007 3.981 0.026 18834 677 1 2 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.713 -0.704 18834 678 1 2 . 1 1 32 32 ARG CB C 32 29.571 29.571 30.199 -0.628 18834 679 1 2 . 1 1 32 32 ARG H H 32 8.501 8.501 8.462 0.039 18834 680 1 2 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.635 -0.058 18834 681 1 2 . 1 1 33 33 HIS C C 33 175.064 175.064 175.055 0.009 18834 682 1 2 . 1 1 33 33 HIS CA C 33 56.814 56.814 55.283 1.531 18834 683 1 2 . 1 1 33 33 HIS CB C 33 29.091 29.091 29.947 -0.856 18834 684 1 2 . 1 1 34 34 GLY N N 34 109.357 109.357 107.445 1.912 18834 685 1 2 . 1 1 34 34 GLY C C 34 174.616 174.616 173.625 0.991 18834 686 1 2 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.582 1.012 18834 687 1 2 . 1 1 34 34 GLY H H 34 8.469 8.469 7.727 0.742 18834 688 1 2 . 1 1 35 35 GLY N N 35 104.989 104.989 106.329 -1.340 18834 689 1 2 . 1 1 35 35 GLY C C 35 170.518 170.518 172.788 -2.270 18834 690 1 2 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.995 0.646 18834 691 1 2 . 1 1 35 35 GLY H H 35 7.787 7.787 7.816 -0.029 18834 692 1 2 . 1 1 36 36 ILE N N 36 119.808 119.808 120.816 -1.008 18834 693 1 2 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.871 -0.125 18834 694 1 2 . 1 1 36 36 ILE C C 36 174.616 174.616 174.839 -0.223 18834 695 1 2 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.317 -3.362 18834 696 1 2 . 1 1 36 36 ILE CB C 36 35.618 35.618 39.469 -3.851 18834 697 1 2 . 1 1 36 36 ILE H H 36 8.362 8.362 8.224 0.138 18834 698 1 2 . 1 1 37 37 TYR N N 37 123.168 123.168 127.355 -4.187 18834 699 1 2 . 1 1 37 37 TYR HA H 37 5.268 5.268 5.033 0.235 18834 700 1 2 . 1 1 37 37 TYR C C 37 176.069 176.069 175.800 0.269 18834 701 1 2 . 1 1 37 37 TYR CA C 37 55.959 55.959 56.287 -0.328 18834 702 1 2 . 1 1 37 37 TYR CB C 37 42.436 42.436 41.284 1.152 18834 703 1 2 . 1 1 37 37 TYR H H 37 8.904 8.904 9.256 -0.352 18834 704 1 2 . 1 1 38 38 VAL N N 38 120.273 120.273 121.741 -1.468 18834 705 1 2 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.239 -0.440 18834 706 1 2 . 1 1 38 38 VAL C C 38 175.886 175.886 176.494 -0.608 18834 707 1 2 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.746 1.338 18834 708 1 2 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.817 0.627 18834 709 1 2 . 1 1 38 38 VAL H H 38 9.230 9.230 9.090 0.140 18834 710 1 2 . 1 1 39 39 LYS N N 39 133.619 133.619 129.511 4.108 18834 711 1 2 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.143 0.246 18834 712 1 2 . 1 1 39 39 LYS C C 39 174.763 174.763 175.509 -0.746 18834 713 1 2 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.875 -1.339 18834 714 1 2 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.075 1.464 18834 715 1 2 . 1 1 39 39 LYS H H 39 9.584 9.584 8.264 1.320 18834 716 1 2 . 1 1 40 40 ALA N N 40 117.459 117.459 117.440 0.019 18834 717 1 2 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.576 -0.072 18834 718 1 2 . 1 1 40 40 ALA C C 40 174.686 174.686 174.855 -0.169 18834 719 1 2 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.778 0.119 18834 720 1 2 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.489 0.756 18834 721 1 2 . 1 1 40 40 ALA H H 40 7.584 7.584 7.241 0.343 18834 722 1 2 . 1 1 41 41 VAL N N 41 120.599 120.599 121.494 -0.895 18834 723 1 2 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.356 0.023 18834 724 1 2 . 1 1 41 41 VAL C C 41 175.714 175.714 175.858 -0.144 18834 725 1 2 . 1 1 41 41 VAL CA C 41 61.149 61.149 60.953 0.196 18834 726 1 2 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.076 -1.570 18834 727 1 2 . 1 1 41 41 VAL H H 41 8.747 8.747 8.410 0.337 18834 728 1 2 . 1 1 42 42 ILE N N 42 127.775 127.775 123.822 3.953 18834 729 1 2 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.487 -0.360 18834 730 1 2 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.356 1.470 18834 731 1 2 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.228 0.988 18834 732 1 2 . 1 1 42 42 ILE H H 42 7.827 7.827 8.342 -0.515 18834 733 1 2 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.540 -0.065 18834 734 1 2 . 1 1 43 43 PRO C C 43 177.234 177.234 177.039 0.195 18834 735 1 2 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.701 1.476 18834 736 1 2 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.839 -1.038 18834 737 1 2 . 1 1 44 44 GLN N N 44 116.932 116.932 115.856 1.076 18834 738 1 2 . 1 1 44 44 GLN HA H 44 3.848 3.848 4.008 -0.160 18834 739 1 2 . 1 1 44 44 GLN C C 44 175.628 175.628 174.853 0.775 18834 740 1 2 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.351 0.790 18834 741 1 2 . 1 1 44 44 GLN CB C 44 26.441 26.441 28.113 -1.672 18834 742 1 2 . 1 1 44 44 GLN H H 44 9.388 9.388 8.680 0.708 18834 743 1 2 . 1 1 45 45 GLY N N 45 106.131 106.131 104.757 1.374 18834 744 1 2 . 1 1 45 45 GLY C C 45 174.404 174.404 173.973 0.431 18834 745 1 2 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.709 0.949 18834 746 1 2 . 1 1 45 45 GLY H H 45 7.875 7.875 7.305 0.570 18834 747 1 2 . 1 1 46 46 ALA N N 46 121.011 121.011 123.273 -2.262 18834 748 1 2 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.016 0.035 18834 749 1 2 . 1 1 46 46 ALA C C 46 180.673 180.673 178.949 1.724 18834 750 1 2 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.570 -0.525 18834 751 1 2 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.474 0.034 18834 752 1 2 . 1 1 46 46 ALA H H 46 9.017 9.017 8.940 0.077 18834 753 1 2 . 1 1 47 47 ALA N N 47 118.848 118.848 121.514 -2.666 18834 754 1 2 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.880 0.188 18834 755 1 2 . 1 1 47 47 ALA C C 47 180.699 180.699 179.741 0.958 18834 756 1 2 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.134 -0.217 18834 757 1 2 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.932 0.698 18834 758 1 2 . 1 1 47 47 ALA H H 47 7.754 7.754 8.170 -0.416 18834 759 1 2 . 1 1 48 48 GLU N N 48 124.400 124.400 119.117 5.283 18834 760 1 2 . 1 1 48 48 GLU HA H 48 3.823 3.823 3.994 -0.171 18834 761 1 2 . 1 1 48 48 GLU C C 48 178.174 178.174 178.968 -0.794 18834 762 1 2 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.765 1.144 18834 763 1 2 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.330 0.429 18834 764 1 2 . 1 1 48 48 GLU H H 48 9.317 9.317 8.605 0.712 18834 765 1 2 . 1 1 49 49 SER N N 49 113.388 113.388 113.879 -0.491 18834 766 1 2 . 1 1 49 49 SER HA H 49 4.100 4.100 4.227 -0.127 18834 767 1 2 . 1 1 49 49 SER C C 49 175.693 175.693 176.541 -0.848 18834 768 1 2 . 1 1 49 49 SER CA C 49 61.233 61.233 61.560 -0.327 18834 769 1 2 . 1 1 49 49 SER CB C 49 62.780 62.780 63.217 -0.437 18834 770 1 2 . 1 1 49 49 SER H H 49 8.115 8.115 8.134 -0.019 18834 771 1 2 . 1 1 50 50 ASP N N 50 120.047 120.047 119.632 0.415 18834 772 1 2 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.623 -0.245 18834 773 1 2 . 1 1 50 50 ASP C C 50 177.650 177.650 177.353 0.297 18834 774 1 2 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.676 2.538 18834 775 1 2 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.905 2.336 18834 776 1 2 . 1 1 50 50 ASP H H 50 7.609 7.609 8.208 -0.599 18834 777 1 2 . 1 1 51 51 GLY N N 51 102.979 102.979 108.001 -5.022 18834 778 1 2 . 1 1 51 51 GLY C C 51 174.977 174.977 175.087 -0.110 18834 779 1 2 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.858 0.494 18834 780 1 2 . 1 1 51 51 GLY H H 51 7.372 7.372 8.031 -0.659 18834 781 1 2 . 1 1 52 52 ARG N N 52 117.579 117.579 118.177 -0.598 18834 782 1 2 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.459 -0.145 18834 783 1 2 . 1 1 52 52 ARG C C 52 175.886 175.886 175.186 0.700 18834 784 1 2 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.074 2.821 18834 785 1 2 . 1 1 52 52 ARG CB C 52 33.246 33.246 30.178 3.068 18834 786 1 2 . 1 1 52 52 ARG H H 52 7.966 7.966 7.703 0.263 18834 787 1 2 . 1 1 53 53 ILE N N 53 120.155 120.155 117.901 2.254 18834 788 1 2 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.155 0.081 18834 789 1 2 . 1 1 53 53 ILE C C 53 173.773 173.773 173.383 0.390 18834 790 1 2 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.553 0.852 18834 791 1 2 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.417 -1.776 18834 792 1 2 . 1 1 53 53 ILE H H 53 8.225 8.225 7.302 0.923 18834 793 1 2 . 1 1 54 54 HIS N N 54 123.751 123.751 121.987 1.764 18834 794 1 2 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.986 -0.196 18834 795 1 2 . 1 1 54 54 HIS C C 54 173.696 173.696 174.632 -0.936 18834 796 1 2 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.727 0.117 18834 797 1 2 . 1 1 54 54 HIS CB C 54 33.566 33.566 34.054 -0.488 18834 798 1 2 . 1 1 54 54 HIS H H 54 9.061 9.061 8.264 0.797 18834 799 1 2 . 1 1 55 55 LYS N N 55 120.590 120.590 120.105 0.485 18834 800 1 2 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.258 -0.632 18834 801 1 2 . 1 1 55 55 LYS C C 55 176.916 176.916 177.387 -0.471 18834 802 1 2 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.641 0.663 18834 803 1 2 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.690 -0.269 18834 804 1 2 . 1 1 55 55 LYS H H 55 8.670 8.670 8.556 0.114 18834 805 1 2 . 1 1 56 56 GLY N N 56 114.645 114.645 111.849 2.796 18834 806 1 2 . 1 1 56 56 GLY C C 56 174.438 174.438 174.948 -0.510 18834 807 1 2 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.949 -0.187 18834 808 1 2 . 1 1 56 56 GLY H H 56 9.201 9.201 8.917 0.284 18834 809 1 2 . 1 1 57 57 ASP N N 57 121.982 121.982 124.151 -2.169 18834 810 1 2 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.865 0.022 18834 811 1 2 . 1 1 57 57 ASP C C 57 174.623 174.623 174.617 0.006 18834 812 1 2 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.464 0.372 18834 813 1 2 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.353 -0.270 18834 814 1 2 . 1 1 57 57 ASP H H 57 8.058 8.058 7.709 0.349 18834 815 1 2 . 1 1 58 58 ARG N N 58 123.240 123.240 120.336 2.904 18834 816 1 2 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.662 -0.047 18834 817 1 2 . 1 1 58 58 ARG C C 58 175.573 175.573 174.959 0.614 18834 818 1 2 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.563 -0.042 18834 819 1 2 . 1 1 58 58 ARG CB C 58 33.701 33.701 33.135 0.566 18834 820 1 2 . 1 1 58 58 ARG H H 58 9.078 9.078 8.606 0.472 18834 821 1 2 . 1 1 59 59 VAL N N 59 126.202 126.202 124.722 1.480 18834 822 1 2 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.263 -0.400 18834 823 1 2 . 1 1 59 59 VAL C C 59 174.458 174.458 175.433 -0.975 18834 824 1 2 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.842 -0.639 18834 825 1 2 . 1 1 59 59 VAL CB C 59 30.998 30.998 31.718 -0.720 18834 826 1 2 . 1 1 59 59 VAL H H 59 8.897 8.897 8.600 0.297 18834 827 1 2 . 1 1 60 60 LEU N N 60 127.163 127.163 128.589 -1.426 18834 828 1 2 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.310 -0.014 18834 829 1 2 . 1 1 60 60 LEU C C 60 178.289 178.289 176.430 1.859 18834 830 1 2 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.433 -0.379 18834 831 1 2 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.569 0.043 18834 832 1 2 . 1 1 60 60 LEU H H 60 9.213 9.213 8.456 0.757 18834 833 1 2 . 1 1 61 61 ALA N N 61 118.886 118.886 117.433 1.453 18834 834 1 2 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.063 -0.109 18834 835 1 2 . 1 1 61 61 ALA C C 61 175.288 175.288 175.286 0.002 18834 836 1 2 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.580 1.699 18834 837 1 2 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.405 -0.309 18834 838 1 2 . 1 1 61 61 ALA H H 61 7.741 7.741 7.332 0.409 18834 839 1 2 . 1 1 62 62 VAL N N 62 119.929 119.929 120.454 -0.525 18834 840 1 2 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.474 -0.024 18834 841 1 2 . 1 1 62 62 VAL C C 62 175.323 175.323 176.105 -0.782 18834 842 1 2 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.700 -0.282 18834 843 1 2 . 1 1 62 62 VAL CB C 62 34.050 34.050 32.911 1.139 18834 844 1 2 . 1 1 62 62 VAL H H 62 8.256 8.256 8.671 -0.415 18834 845 1 2 . 1 1 63 63 ASN N N 63 128.933 128.933 127.501 1.432 18834 846 1 2 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.383 0.162 18834 847 1 2 . 1 1 63 63 ASN C C 63 175.197 175.197 175.310 -0.113 18834 848 1 2 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.398 -0.230 18834 849 1 2 . 1 1 63 63 ASN CB C 63 36.896 36.896 38.103 -1.207 18834 850 1 2 . 1 1 63 63 ASN H H 63 10.392 10.392 9.253 1.139 18834 851 1 2 . 1 1 64 64 GLY N N 64 103.413 103.413 102.885 0.528 18834 852 1 2 . 1 1 64 64 GLY C C 64 173.872 173.872 174.346 -0.474 18834 853 1 2 . 1 1 64 64 GLY CA C 64 45.171 45.171 44.907 0.264 18834 854 1 2 . 1 1 64 64 GLY H H 64 9.085 9.085 8.399 0.686 18834 855 1 2 . 1 1 65 65 VAL N N 65 123.643 123.643 124.193 -0.550 18834 856 1 2 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.063 -0.115 18834 857 1 2 . 1 1 65 65 VAL C C 65 175.645 175.645 175.510 0.135 18834 858 1 2 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.917 0.219 18834 859 1 2 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.928 -0.288 18834 860 1 2 . 1 1 65 65 VAL H H 65 8.028 8.028 7.717 0.311 18834 861 1 2 . 1 1 66 66 SER N N 66 120.923 120.923 123.413 -2.490 18834 862 1 2 . 1 1 66 66 SER HA H 66 4.334 4.334 4.198 0.136 18834 863 1 2 . 1 1 66 66 SER C C 66 176.388 176.388 174.328 2.060 18834 864 1 2 . 1 1 66 66 SER CA C 66 58.342 58.342 59.424 -1.082 18834 865 1 2 . 1 1 66 66 SER CB C 66 63.562 63.562 63.466 0.096 18834 866 1 2 . 1 1 66 66 SER H H 66 8.647 8.647 8.675 -0.028 18834 867 1 2 . 1 1 67 67 LEU N N 67 125.116 125.116 127.633 -2.517 18834 868 1 2 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.671 -0.233 18834 869 1 2 . 1 1 67 67 LEU C C 67 176.462 176.462 176.246 0.216 18834 870 1 2 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.147 -0.415 18834 871 1 2 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.952 -2.062 18834 872 1 2 . 1 1 67 67 LEU H H 67 8.292 8.292 8.965 -0.673 18834 873 1 2 . 1 1 68 68 GLU N N 68 123.552 123.552 120.120 3.432 18834 874 1 2 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.146 -0.111 18834 875 1 2 . 1 1 68 68 GLU C C 68 177.767 177.767 177.211 0.556 18834 876 1 2 . 1 1 68 68 GLU CA C 68 58.571 58.571 57.996 0.575 18834 877 1 2 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.225 -0.173 18834 878 1 2 . 1 1 68 68 GLU H H 68 8.305 8.305 7.503 0.802 18834 879 1 2 . 1 1 69 69 GLY N N 69 115.496 115.496 112.836 2.660 18834 880 1 2 . 1 1 69 69 GLY C C 69 173.618 173.618 174.317 -0.699 18834 881 1 2 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.952 0.444 18834 882 1 2 . 1 1 69 69 GLY H H 69 8.977 8.977 8.570 0.407 18834 883 1 2 . 1 1 70 70 ALA N N 70 121.999 121.999 124.907 -2.908 18834 884 1 2 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.569 -0.067 18834 885 1 2 . 1 1 70 70 ALA C C 70 179.820 179.820 176.745 3.075 18834 886 1 2 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.415 1.000 18834 887 1 2 . 1 1 70 70 ALA CB C 70 19.638 19.638 20.023 -0.385 18834 888 1 2 . 1 1 70 70 ALA H H 70 7.807 7.807 7.866 -0.059 18834 889 1 2 . 1 1 71 71 THR N N 71 111.294 111.294 115.040 -3.746 18834 890 1 2 . 1 1 71 71 THR HA H 71 4.515 4.515 4.407 0.108 18834 891 1 2 . 1 1 71 71 THR C C 71 174.717 174.717 175.863 -1.146 18834 892 1 2 . 1 1 71 71 THR CA C 71 60.692 60.692 60.411 0.281 18834 893 1 2 . 1 1 71 71 THR CB C 71 71.274 71.274 70.869 0.405 18834 894 1 2 . 1 1 71 71 THR H H 71 8.222 8.222 7.995 0.227 18834 895 1 2 . 1 1 72 72 HIS N N 72 121.871 121.871 121.293 0.578 18834 896 1 2 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.180 -0.320 18834 897 1 2 . 1 1 72 72 HIS C C 72 176.702 176.702 177.396 -0.694 18834 898 1 2 . 1 1 72 72 HIS CA C 72 61.983 61.983 61.359 0.624 18834 899 1 2 . 1 1 72 72 HIS CB C 72 30.047 30.047 29.887 0.160 18834 900 1 2 . 1 1 72 72 HIS H H 72 9.217 9.217 9.019 0.198 18834 901 1 2 . 1 1 73 73 LYS N N 73 116.941 116.941 118.333 -1.392 18834 902 1 2 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.993 -0.169 18834 903 1 2 . 1 1 73 73 LYS C C 73 178.288 178.288 179.224 -0.936 18834 904 1 2 . 1 1 73 73 LYS CA C 73 59.350 59.350 60.157 -0.807 18834 905 1 2 . 1 1 73 73 LYS CB C 73 32.811 32.811 32.140 0.671 18834 906 1 2 . 1 1 73 73 LYS H H 73 8.429 8.429 8.481 -0.052 18834 907 1 2 . 1 1 74 74 GLN N N 74 116.915 116.915 118.496 -1.581 18834 908 1 2 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.948 -0.079 18834 909 1 2 . 1 1 74 74 GLN C C 74 179.732 179.732 178.661 1.071 18834 910 1 2 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.944 -0.345 18834 911 1 2 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.527 -0.176 18834 912 1 2 . 1 1 74 74 GLN H H 74 7.660 7.660 7.724 -0.064 18834 913 1 2 . 1 1 75 75 ALA N N 75 122.673 122.673 122.693 -0.020 18834 914 1 2 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.997 -0.209 18834 915 1 2 . 1 1 75 75 ALA C C 75 179.078 179.078 179.629 -0.551 18834 916 1 2 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.328 0.238 18834 917 1 2 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.272 0.579 18834 918 1 2 . 1 1 75 75 ALA H H 75 8.379 8.379 8.378 0.001 18834 919 1 2 . 1 1 76 76 VAL N N 76 112.831 112.831 114.884 -2.053 18834 920 1 2 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.765 -0.260 18834 921 1 2 . 1 1 76 76 VAL CA C 76 65.895 65.895 65.519 0.376 18834 922 1 2 . 1 1 76 76 VAL CB C 76 30.691 30.691 30.987 -0.296 18834 923 1 2 . 1 1 76 76 VAL H H 76 8.239 8.239 7.994 0.245 18834 924 1 2 . 1 1 77 77 CYS C C 77 177.150 177.150 177.218 -0.068 18834 925 1 2 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.124 -2.733 18834 926 1 2 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.442 10.340 18834 927 1 2 . 1 1 78 78 THR N N 78 117.507 117.507 116.681 0.826 18834 928 1 2 . 1 1 78 78 THR HA H 78 3.858 3.858 4.072 -0.214 18834 929 1 2 . 1 1 78 78 THR C C 78 176.460 176.460 175.651 0.809 18834 930 1 2 . 1 1 78 78 THR CA C 78 67.123 67.123 66.294 0.829 18834 931 1 2 . 1 1 78 78 THR CB C 78 68.123 68.123 68.828 -0.704 18834 932 1 2 . 1 1 78 78 THR H H 78 8.015 8.015 8.074 -0.059 18834 933 1 2 . 1 1 79 79 LEU N N 79 119.666 119.666 120.950 -1.284 18834 934 1 2 . 1 1 79 79 LEU HA H 79 3.750 3.750 3.966 -0.216 18834 935 1 2 . 1 1 79 79 LEU CA C 79 58.190 58.190 58.086 0.104 18834 936 1 2 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.809 0.263 18834 937 1 2 . 1 1 79 79 LEU H H 79 7.984 7.984 7.607 0.377 18834 938 1 2 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.037 0.160 18834 939 1 2 . 1 1 80 80 ARG C C 80 177.750 177.750 178.371 -0.621 18834 940 1 2 . 1 1 80 80 ARG CA C 80 58.307 58.307 59.031 -0.724 18834 941 1 2 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.185 -0.093 18834 942 1 2 . 1 1 81 81 ASN N N 81 119.843 119.843 119.002 0.841 18834 943 1 2 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.660 0.324 18834 944 1 2 . 1 1 81 81 ASN C C 81 174.819 174.819 174.558 0.261 18834 945 1 2 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.331 -0.218 18834 946 1 2 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.356 0.312 18834 947 1 2 . 1 1 81 81 ASN H H 81 7.648 7.648 7.886 -0.238 18834 948 1 2 . 1 1 82 82 THR N N 82 109.907 109.907 112.707 -2.800 18834 949 1 2 . 1 1 82 82 THR HA H 82 4.447 4.447 4.760 -0.313 18834 950 1 2 . 1 1 82 82 THR C C 82 175.114 175.114 174.081 1.033 18834 951 1 2 . 1 1 82 82 THR CA C 82 59.944 59.944 60.153 -0.209 18834 952 1 2 . 1 1 82 82 THR CB C 82 72.611 72.611 72.080 0.531 18834 953 1 2 . 1 1 82 82 THR H H 82 7.668 7.668 7.832 -0.164 18834 954 1 2 . 1 1 83 83 GLY N N 83 109.505 109.505 106.599 2.906 18834 955 1 2 . 1 1 83 83 GLY C C 83 173.467 173.467 174.949 -1.482 18834 956 1 2 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.419 -0.327 18834 957 1 2 . 1 1 83 83 GLY H H 83 8.421 8.421 8.571 -0.150 18834 958 1 2 . 1 1 84 84 GLN N N 84 117.276 117.276 119.206 -1.930 18834 959 1 2 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.381 -0.418 18834 960 1 2 . 1 1 84 84 GLN C C 84 175.254 175.254 176.083 -0.829 18834 961 1 2 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.326 0.117 18834 962 1 2 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.320 -0.347 18834 963 1 2 . 1 1 84 84 GLN H H 84 8.224 8.224 8.480 -0.256 18834 964 1 2 . 1 1 85 85 VAL N N 85 116.186 116.186 116.690 -0.504 18834 965 1 2 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.405 0.249 18834 966 1 2 . 1 1 85 85 VAL C C 85 175.879 175.879 175.117 0.762 18834 967 1 2 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.458 -0.160 18834 968 1 2 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.123 0.007 18834 969 1 2 . 1 1 85 85 VAL H H 85 7.699 7.699 7.445 0.254 18834 970 1 2 . 1 1 86 86 VAL N N 86 128.499 128.499 125.084 3.415 18834 971 1 2 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.142 0.305 18834 972 1 2 . 1 1 86 86 VAL C C 86 173.365 173.365 174.743 -1.378 18834 973 1 2 . 1 1 86 86 VAL CA C 86 60.965 60.965 61.210 -0.245 18834 974 1 2 . 1 1 86 86 VAL CB C 86 34.987 34.987 32.503 2.484 18834 975 1 2 . 1 1 86 86 VAL H H 86 9.043 9.043 8.923 0.120 18834 976 1 2 . 1 1 87 87 HIS N N 87 126.357 126.357 126.953 -0.596 18834 977 1 2 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.045 -0.049 18834 978 1 2 . 1 1 87 87 HIS C C 87 174.387 174.387 174.458 -0.071 18834 979 1 2 . 1 1 87 87 HIS CA C 87 55.802 55.802 55.230 0.572 18834 980 1 2 . 1 1 87 87 HIS CB C 87 31.179 31.179 29.613 1.566 18834 981 1 2 . 1 1 87 87 HIS H H 87 8.855 8.855 8.779 0.076 18834 982 1 2 . 1 1 88 88 LEU N N 88 126.780 126.780 121.225 5.555 18834 983 1 2 . 1 1 88 88 LEU HA H 88 4.960 4.960 5.130 -0.170 18834 984 1 2 . 1 1 88 88 LEU C C 88 173.365 173.365 174.391 -1.026 18834 985 1 2 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.769 -0.275 18834 986 1 2 . 1 1 88 88 LEU CB C 88 45.187 45.187 44.964 0.223 18834 987 1 2 . 1 1 88 88 LEU H H 88 9.016 9.016 7.891 1.125 18834 988 1 2 . 1 1 89 89 LEU N N 89 124.435 124.435 123.281 1.154 18834 989 1 2 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.714 0.007 18834 990 1 2 . 1 1 89 89 LEU C C 89 175.213 175.213 176.291 -1.078 18834 991 1 2 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.473 -0.812 18834 992 1 2 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.618 2.773 18834 993 1 2 . 1 1 89 89 LEU H H 89 7.965 7.965 8.011 -0.046 18834 994 1 2 . 1 1 90 90 LEU N N 90 127.444 127.444 120.738 6.706 18834 995 1 2 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.187 0.096 18834 996 1 2 . 1 1 90 90 LEU C C 90 173.560 173.560 175.717 -2.157 18834 997 1 2 . 1 1 90 90 LEU CA C 90 54.088 54.088 51.995 2.093 18834 998 1 2 . 1 1 90 90 LEU CB C 90 45.956 45.956 43.521 2.435 18834 999 1 2 . 1 1 90 90 LEU H H 90 8.909 8.909 8.524 0.385 18834 1000 1 2 . 1 1 91 91 GLU N N 91 118.954 118.954 120.173 -1.219 18834 1001 1 2 . 1 1 91 91 GLU HA H 91 5.062 5.062 4.912 0.150 18834 1002 1 2 . 1 1 91 91 GLU C C 91 176.652 176.652 175.910 0.742 18834 1003 1 2 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.270 -0.483 18834 1004 1 2 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.416 0.430 18834 1005 1 2 . 1 1 91 91 GLU H H 91 8.813 8.813 8.772 0.041 18834 1006 1 2 . 1 1 92 92 LYS N N 92 129.055 129.055 126.814 2.241 18834 1007 1 2 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.647 -0.260 18834 1008 1 2 . 1 1 92 92 LYS C C 92 178.000 178.000 177.073 0.927 18834 1009 1 2 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.048 0.214 18834 1010 1 2 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.674 -0.603 18834 1011 1 2 . 1 1 92 92 LYS H H 92 9.362 9.362 8.342 1.020 18834 1012 1 2 . 1 1 93 93 GLY N N 93 117.893 117.893 110.025 7.868 18834 1013 1 2 . 1 1 93 93 GLY C C 93 173.147 173.147 174.733 -1.586 18834 1014 1 2 . 1 1 93 93 GLY CA C 93 45.173 45.173 45.153 0.020 18834 1015 1 2 . 1 1 93 93 GLY H H 93 9.698 9.698 8.713 0.985 18834 1016 1 2 . 1 1 94 94 GLN N N 94 116.797 116.797 119.478 -2.681 18834 1017 1 2 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.138 0.124 18834 1018 1 2 . 1 1 94 94 GLN C C 94 175.942 175.942 176.075 -0.133 18834 1019 1 2 . 1 1 94 94 GLN CA C 94 55.514 55.514 57.687 -2.172 18834 1020 1 2 . 1 1 94 94 GLN CB C 94 29.688 29.688 29.167 0.521 18834 1021 1 2 . 1 1 94 94 GLN H H 94 8.252 8.252 8.523 -0.271 18834 1022 1 2 . 1 1 95 95 SER N N 95 118.117 118.117 114.648 3.469 18834 1023 1 2 . 1 1 95 95 SER HA H 95 4.658 4.658 4.897 -0.239 18834 1024 1 2 . 1 1 95 95 SER CA C 95 56.588 56.588 55.748 0.840 18834 1025 1 2 . 1 1 95 95 SER CB C 95 63.194 63.194 63.920 -0.726 18834 1026 1 2 . 1 1 95 95 SER H H 95 8.377 8.377 7.923 0.454 18834 1027 1 2 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.525 -0.048 18834 1028 1 2 . 1 1 96 96 PRO C C 96 176.291 176.291 176.000 0.291 18834 1029 1 2 . 1 1 96 96 PRO CA C 96 63.511 63.511 63.105 0.406 18834 1030 1 2 . 1 1 96 96 PRO CB C 96 31.953 31.953 31.372 0.581 18834 1031 1 3 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.519 -0.045 18834 1032 1 3 . 1 1 2 2 PRO C C 2 175.857 175.857 175.710 0.147 18834 1033 1 3 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.415 0.428 18834 1034 1 3 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.540 -0.272 18834 1035 1 3 . 1 1 3 3 LYS N N 3 124.698 124.698 119.548 5.150 18834 1036 1 3 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.486 0.104 18834 1037 1 3 . 1 1 3 3 LYS CA C 3 53.618 53.618 54.480 -0.862 18834 1038 1 3 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.318 -0.762 18834 1039 1 3 . 1 1 3 3 LYS H H 3 8.952 8.952 8.279 0.673 18834 1040 1 3 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.399 -0.455 18834 1041 1 3 . 1 1 4 4 PRO C C 4 177.504 177.504 177.375 0.129 18834 1042 1 3 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.287 0.257 18834 1043 1 3 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.447 0.323 18834 1044 1 3 . 1 1 5 5 GLY N N 5 113.728 113.728 112.945 0.783 18834 1045 1 3 . 1 1 5 5 GLY C C 5 174.146 174.146 173.827 0.319 18834 1046 1 3 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.784 0.249 18834 1047 1 3 . 1 1 5 5 GLY H H 5 9.011 9.011 8.771 0.240 18834 1048 1 3 . 1 1 6 6 ASP N N 6 121.776 121.776 121.111 0.665 18834 1049 1 3 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.847 -0.177 18834 1050 1 3 . 1 1 6 6 ASP C C 6 175.673 175.673 175.491 0.182 18834 1051 1 3 . 1 1 6 6 ASP CA C 6 54.918 54.918 53.048 1.870 18834 1052 1 3 . 1 1 6 6 ASP CB C 6 41.446 41.446 42.458 -1.012 18834 1053 1 3 . 1 1 6 6 ASP H H 6 8.468 8.468 8.090 0.378 18834 1054 1 3 . 1 1 7 7 ILE N N 7 121.570 121.570 122.170 -0.600 18834 1055 1 3 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.627 0.704 18834 1056 1 3 . 1 1 7 7 ILE C C 7 176.824 176.824 175.676 1.148 18834 1057 1 3 . 1 1 7 7 ILE CA C 7 59.601 59.601 59.580 0.021 18834 1058 1 3 . 1 1 7 7 ILE CB C 7 38.254 38.254 37.730 0.524 18834 1059 1 3 . 1 1 7 7 ILE H H 7 8.362 8.362 8.289 0.073 18834 1060 1 3 . 1 1 8 8 PHE N N 8 125.816 125.816 124.379 1.437 18834 1061 1 3 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.056 0.016 18834 1062 1 3 . 1 1 8 8 PHE C C 8 171.149 171.149 173.536 -2.387 18834 1063 1 3 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.494 0.035 18834 1064 1 3 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.605 -0.293 18834 1065 1 3 . 1 1 8 8 PHE H H 8 9.476 9.476 8.600 0.876 18834 1066 1 3 . 1 1 9 9 GLU N N 9 118.961 118.961 121.142 -2.181 18834 1067 1 3 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.374 0.839 18834 1068 1 3 . 1 1 9 9 GLU C C 9 175.995 175.995 175.451 0.544 18834 1069 1 3 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.191 -1.202 18834 1070 1 3 . 1 1 9 9 GLU CB C 9 33.428 33.428 32.661 0.767 18834 1071 1 3 . 1 1 9 9 GLU H H 9 8.490 8.490 8.516 -0.026 18834 1072 1 3 . 1 1 10 10 VAL N N 10 119.964 119.964 117.535 2.429 18834 1073 1 3 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.501 -0.364 18834 1074 1 3 . 1 1 10 10 VAL C C 10 173.221 173.221 173.596 -0.375 18834 1075 1 3 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.705 1.386 18834 1076 1 3 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.831 0.935 18834 1077 1 3 . 1 1 10 10 VAL H H 10 8.577 8.577 8.058 0.519 18834 1078 1 3 . 1 1 11 11 GLU N N 11 126.219 126.219 122.343 3.876 18834 1079 1 3 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.270 -0.315 18834 1080 1 3 . 1 1 11 11 GLU C C 11 174.538 174.538 174.659 -0.121 18834 1081 1 3 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.337 0.525 18834 1082 1 3 . 1 1 11 11 GLU CB C 11 30.836 30.836 32.247 -1.411 18834 1083 1 3 . 1 1 11 11 GLU H H 11 7.794 7.794 8.225 -0.431 18834 1084 1 3 . 1 1 12 12 LEU N N 12 126.212 126.212 122.488 3.724 18834 1085 1 3 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.741 -0.095 18834 1086 1 3 . 1 1 12 12 LEU C C 12 173.916 173.916 174.615 -0.699 18834 1087 1 3 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.635 -0.498 18834 1088 1 3 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.622 -0.496 18834 1089 1 3 . 1 1 12 12 LEU H H 12 8.848 8.848 8.517 0.331 18834 1090 1 3 . 1 1 13 13 ALA N N 13 126.357 126.357 125.310 1.047 18834 1091 1 3 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.307 0.788 18834 1092 1 3 . 1 1 13 13 ALA C C 13 177.352 177.352 176.945 0.407 18834 1093 1 3 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.912 -1.992 18834 1094 1 3 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.028 0.349 18834 1095 1 3 . 1 1 13 13 ALA H H 13 8.494 8.494 8.508 -0.014 18834 1096 1 3 . 1 1 14 14 LYS N N 14 120.000 120.000 125.456 -5.456 18834 1097 1 3 . 1 1 14 14 LYS HA H 14 3.752 3.752 3.988 -0.236 18834 1098 1 3 . 1 1 14 14 LYS C C 14 176.313 176.313 176.015 0.298 18834 1099 1 3 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.080 0.682 18834 1100 1 3 . 1 1 14 14 LYS CB C 14 34.469 34.469 32.887 1.582 18834 1101 1 3 . 1 1 14 14 LYS H H 14 8.496 8.496 8.298 0.198 18834 1102 1 3 . 1 1 15 15 ASN N N 15 117.473 117.473 115.726 1.747 18834 1103 1 3 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.449 0.469 18834 1104 1 3 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.573 -1.086 18834 1105 1 3 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.322 2.362 18834 1106 1 3 . 1 1 15 15 ASN H H 15 8.079 8.079 8.065 0.014 18834 1107 1 3 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.240 0.019 18834 1108 1 3 . 1 1 16 16 ASP C C 16 175.515 175.515 176.021 -0.506 18834 1109 1 3 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.158 0.361 18834 1110 1 3 . 1 1 16 16 ASP CB C 16 39.303 39.303 39.629 -0.326 18834 1111 1 3 . 1 1 17 17 ASN N N 17 110.160 110.160 110.567 -0.407 18834 1112 1 3 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.257 -0.025 18834 1113 1 3 . 1 1 17 17 ASN C C 17 174.550 174.550 174.064 0.486 18834 1114 1 3 . 1 1 17 17 ASN CA C 17 54.349 54.349 55.151 -0.802 18834 1115 1 3 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.105 0.350 18834 1116 1 3 . 1 1 17 17 ASN H H 17 8.959 8.959 8.796 0.163 18834 1117 1 3 . 1 1 18 18 SER N N 18 112.013 112.013 114.569 -2.556 18834 1118 1 3 . 1 1 18 18 SER HA H 18 4.976 4.976 4.670 0.306 18834 1119 1 3 . 1 1 18 18 SER CA C 18 56.519 56.519 57.454 -0.935 18834 1120 1 3 . 1 1 18 18 SER CB C 18 65.053 65.053 65.029 0.023 18834 1121 1 3 . 1 1 18 18 SER H H 18 7.892 7.892 7.281 0.611 18834 1122 1 3 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.837 -0.581 18834 1123 1 3 . 1 1 19 19 LEU C C 19 176.996 176.996 176.799 0.197 18834 1124 1 3 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.016 1.929 18834 1125 1 3 . 1 1 19 19 LEU CB C 19 43.178 43.178 42.910 0.268 18834 1126 1 3 . 1 1 20 20 GLY N N 20 105.651 105.651 107.104 -1.453 18834 1127 1 3 . 1 1 20 20 GLY C C 20 176.218 176.218 173.394 2.824 18834 1128 1 3 . 1 1 20 20 GLY CA C 20 46.868 46.868 45.258 1.610 18834 1129 1 3 . 1 1 20 20 GLY H H 20 8.804 8.804 8.316 0.488 18834 1130 1 3 . 1 1 21 21 ILE N N 21 115.348 115.348 120.135 -4.787 18834 1131 1 3 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.206 0.636 18834 1132 1 3 . 1 1 21 21 ILE C C 21 175.987 175.987 175.390 0.597 18834 1133 1 3 . 1 1 21 21 ILE CA C 21 59.795 59.795 60.834 -1.038 18834 1134 1 3 . 1 1 21 21 ILE CB C 21 42.334 42.334 39.260 3.074 18834 1135 1 3 . 1 1 21 21 ILE H H 21 7.775 7.775 7.693 0.082 18834 1136 1 3 . 1 1 22 22 CYS N N 22 123.503 123.503 119.331 4.172 18834 1137 1 3 . 1 1 22 22 CYS C C 22 176.187 176.187 172.846 3.341 18834 1138 1 3 . 1 1 22 22 CYS CA C 22 53.779 53.779 57.862 -4.083 18834 1139 1 3 . 1 1 22 22 CYS CB C 22 36.527 36.527 30.286 6.241 18834 1140 1 3 . 1 1 22 22 CYS H H 22 8.533 8.533 8.244 0.289 18834 1141 1 3 . 1 1 23 23 VAL N N 23 114.882 114.882 114.931 -0.049 18834 1142 1 3 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.146 0.302 18834 1143 1 3 . 1 1 23 23 VAL C C 23 174.219 174.219 173.840 0.379 18834 1144 1 3 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.134 -0.712 18834 1145 1 3 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.358 -0.264 18834 1146 1 3 . 1 1 23 23 VAL H H 23 7.720 7.720 8.250 -0.530 18834 1147 1 3 . 1 1 24 24 THR N N 24 115.462 115.462 113.897 1.565 18834 1148 1 3 . 1 1 24 24 THR HA H 24 4.691 4.691 4.755 -0.064 18834 1149 1 3 . 1 1 24 24 THR C C 24 171.649 171.649 173.247 -1.598 18834 1150 1 3 . 1 1 24 24 THR CA C 24 59.560 59.560 59.936 -0.376 18834 1151 1 3 . 1 1 24 24 THR CB C 24 70.573 70.573 69.901 0.672 18834 1152 1 3 . 1 1 24 24 THR H H 24 9.175 9.175 8.361 0.814 18834 1153 1 3 . 1 1 25 25 GLY N N 25 111.734 111.734 111.793 -0.059 18834 1154 1 3 . 1 1 25 25 GLY C C 25 174.216 174.216 173.137 1.079 18834 1155 1 3 . 1 1 25 25 GLY CA C 25 44.664 44.664 45.039 -0.375 18834 1156 1 3 . 1 1 25 25 GLY H H 25 8.323 8.323 8.780 -0.457 18834 1157 1 3 . 1 1 26 26 GLY N N 26 107.524 107.524 106.962 0.562 18834 1158 1 3 . 1 1 26 26 GLY C C 26 176.306 176.306 174.613 1.693 18834 1159 1 3 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.450 -1.680 18834 1160 1 3 . 1 1 26 26 GLY H H 26 7.541 7.541 8.055 -0.514 18834 1161 1 3 . 1 1 27 27 VAL N N 27 116.903 116.903 123.647 -6.744 18834 1162 1 3 . 1 1 27 27 VAL HA H 27 4.128 4.128 3.944 0.184 18834 1163 1 3 . 1 1 27 27 VAL C C 27 175.716 175.716 176.805 -1.089 18834 1164 1 3 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.630 1.264 18834 1165 1 3 . 1 1 27 27 VAL CB C 27 31.963 31.963 30.846 1.117 18834 1166 1 3 . 1 1 27 27 VAL H H 27 8.055 8.055 8.261 -0.206 18834 1167 1 3 . 1 1 28 28 ASN N N 28 117.840 117.840 113.192 4.648 18834 1168 1 3 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.411 0.392 18834 1169 1 3 . 1 1 28 28 ASN C C 28 174.846 174.846 175.002 -0.156 18834 1170 1 3 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.251 -0.771 18834 1171 1 3 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.333 0.421 18834 1172 1 3 . 1 1 28 28 ASN H H 28 8.779 8.779 7.896 0.883 18834 1173 1 3 . 1 1 29 29 THR N N 29 111.408 111.408 112.946 -1.538 18834 1174 1 3 . 1 1 29 29 THR HA H 29 4.690 4.690 4.226 0.464 18834 1175 1 3 . 1 1 29 29 THR CA C 29 61.624 61.624 61.985 -0.361 18834 1176 1 3 . 1 1 29 29 THR CB C 29 70.939 70.939 69.563 1.376 18834 1177 1 3 . 1 1 29 29 THR H H 29 7.857 7.857 7.851 0.006 18834 1178 1 3 . 1 1 30 30 SER N N 30 113.816 113.816 116.117 -2.301 18834 1179 1 3 . 1 1 30 30 SER HA H 30 4.537 4.537 4.133 0.404 18834 1180 1 3 . 1 1 30 30 SER C C 30 174.867 174.867 174.975 -0.108 18834 1181 1 3 . 1 1 30 30 SER CA C 30 58.369 58.369 60.578 -2.209 18834 1182 1 3 . 1 1 30 30 SER CB C 30 63.547 63.547 62.610 0.937 18834 1183 1 3 . 1 1 30 30 SER H H 30 8.438 8.438 8.534 -0.096 18834 1184 1 3 . 1 1 31 31 VAL N N 31 118.013 118.013 118.354 -0.341 18834 1185 1 3 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.971 0.127 18834 1186 1 3 . 1 1 31 31 VAL C C 31 176.528 176.528 177.030 -0.502 18834 1187 1 3 . 1 1 31 31 VAL CA C 31 62.070 62.070 62.624 -0.554 18834 1188 1 3 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.819 -0.312 18834 1189 1 3 . 1 1 31 31 VAL H H 31 7.567 7.567 7.664 -0.097 18834 1190 1 3 . 1 1 32 32 ARG N N 32 124.719 124.719 127.050 -2.331 18834 1191 1 3 . 1 1 32 32 ARG HA H 32 4.007 4.007 4.032 -0.025 18834 1192 1 3 . 1 1 32 32 ARG CA C 32 58.009 58.009 59.113 -1.104 18834 1193 1 3 . 1 1 32 32 ARG CB C 32 29.571 29.571 29.185 0.386 18834 1194 1 3 . 1 1 32 32 ARG H H 32 8.501 8.501 8.827 -0.326 18834 1195 1 3 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.618 -0.041 18834 1196 1 3 . 1 1 33 33 HIS C C 33 175.064 175.064 175.885 -0.821 18834 1197 1 3 . 1 1 33 33 HIS CA C 33 56.814 56.814 56.580 0.234 18834 1198 1 3 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.601 -1.510 18834 1199 1 3 . 1 1 34 34 GLY N N 34 109.357 109.357 105.563 3.794 18834 1200 1 3 . 1 1 34 34 GLY C C 34 174.616 174.616 174.138 0.478 18834 1201 1 3 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.417 1.177 18834 1202 1 3 . 1 1 34 34 GLY H H 34 8.469 8.469 8.121 0.348 18834 1203 1 3 . 1 1 35 35 GLY N N 35 104.989 104.989 107.759 -2.770 18834 1204 1 3 . 1 1 35 35 GLY C C 35 170.518 170.518 173.490 -2.972 18834 1205 1 3 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.300 1.341 18834 1206 1 3 . 1 1 35 35 GLY H H 35 7.787 7.787 7.708 0.079 18834 1207 1 3 . 1 1 36 36 ILE N N 36 119.808 119.808 120.598 -0.790 18834 1208 1 3 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.719 0.027 18834 1209 1 3 . 1 1 36 36 ILE C C 36 174.616 174.616 175.224 -0.608 18834 1210 1 3 . 1 1 36 36 ILE CA C 36 56.955 56.955 59.615 -2.660 18834 1211 1 3 . 1 1 36 36 ILE CB C 36 35.618 35.618 36.464 -0.846 18834 1212 1 3 . 1 1 36 36 ILE H H 36 8.362 8.362 7.979 0.383 18834 1213 1 3 . 1 1 37 37 TYR N N 37 123.168 123.168 127.600 -4.432 18834 1214 1 3 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.762 0.506 18834 1215 1 3 . 1 1 37 37 TYR C C 37 176.069 176.069 175.822 0.247 18834 1216 1 3 . 1 1 37 37 TYR CA C 37 55.959 55.959 57.033 -1.074 18834 1217 1 3 . 1 1 37 37 TYR CB C 37 42.436 42.436 41.330 1.106 18834 1218 1 3 . 1 1 37 37 TYR H H 37 8.904 8.904 9.162 -0.258 18834 1219 1 3 . 1 1 38 38 VAL N N 38 120.273 120.273 121.477 -1.204 18834 1220 1 3 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.051 -0.252 18834 1221 1 3 . 1 1 38 38 VAL C C 38 175.886 175.886 176.357 -0.471 18834 1222 1 3 . 1 1 38 38 VAL CA C 38 64.084 64.084 63.020 1.064 18834 1223 1 3 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.728 0.716 18834 1224 1 3 . 1 1 38 38 VAL H H 38 9.230 9.230 8.934 0.296 18834 1225 1 3 . 1 1 39 39 LYS N N 39 133.619 133.619 129.407 4.212 18834 1226 1 3 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.136 0.253 18834 1227 1 3 . 1 1 39 39 LYS C C 39 174.763 174.763 175.634 -0.871 18834 1228 1 3 . 1 1 39 39 LYS CA C 39 56.536 56.536 58.123 -1.587 18834 1229 1 3 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.063 1.476 18834 1230 1 3 . 1 1 39 39 LYS H H 39 9.584 9.584 8.190 1.394 18834 1231 1 3 . 1 1 40 40 ALA N N 40 117.459 117.459 118.236 -0.777 18834 1232 1 3 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.585 -0.081 18834 1233 1 3 . 1 1 40 40 ALA C C 40 174.686 174.686 174.760 -0.074 18834 1234 1 3 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.947 -0.050 18834 1235 1 3 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.393 0.852 18834 1236 1 3 . 1 1 40 40 ALA H H 40 7.584 7.584 7.247 0.337 18834 1237 1 3 . 1 1 41 41 VAL N N 41 120.599 120.599 121.557 -0.958 18834 1238 1 3 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.421 -0.042 18834 1239 1 3 . 1 1 41 41 VAL C C 41 175.714 175.714 175.698 0.016 18834 1240 1 3 . 1 1 41 41 VAL CA C 41 61.149 61.149 60.884 0.265 18834 1241 1 3 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.453 -1.947 18834 1242 1 3 . 1 1 41 41 VAL H H 41 8.747 8.747 8.488 0.259 18834 1243 1 3 . 1 1 42 42 ILE N N 42 127.775 127.775 123.443 4.332 18834 1244 1 3 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.559 -0.432 18834 1245 1 3 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.194 1.631 18834 1246 1 3 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.122 1.094 18834 1247 1 3 . 1 1 42 42 ILE H H 42 7.827 7.827 8.317 -0.490 18834 1248 1 3 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.457 0.018 18834 1249 1 3 . 1 1 43 43 PRO C C 43 177.234 177.234 176.457 0.777 18834 1250 1 3 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.601 1.576 18834 1251 1 3 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.580 -0.778 18834 1252 1 3 . 1 1 44 44 GLN N N 44 116.932 116.932 112.079 4.853 18834 1253 1 3 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.954 -0.106 18834 1254 1 3 . 1 1 44 44 GLN C C 44 175.628 175.628 175.955 -0.327 18834 1255 1 3 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.434 0.707 18834 1256 1 3 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.883 -1.442 18834 1257 1 3 . 1 1 44 44 GLN H H 44 9.388 9.388 8.536 0.852 18834 1258 1 3 . 1 1 45 45 GLY N N 45 106.131 106.131 105.126 1.005 18834 1259 1 3 . 1 1 45 45 GLY C C 45 174.404 174.404 173.925 0.479 18834 1260 1 3 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.747 0.911 18834 1261 1 3 . 1 1 45 45 GLY H H 45 7.875 7.875 7.258 0.617 18834 1262 1 3 . 1 1 46 46 ALA N N 46 121.011 121.011 123.981 -2.970 18834 1263 1 3 . 1 1 46 46 ALA HA H 46 4.051 4.051 3.985 0.066 18834 1264 1 3 . 1 1 46 46 ALA C C 46 180.673 180.673 178.985 1.688 18834 1265 1 3 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.718 -0.673 18834 1266 1 3 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.573 -0.066 18834 1267 1 3 . 1 1 46 46 ALA H H 46 9.017 9.017 8.914 0.103 18834 1268 1 3 . 1 1 47 47 ALA N N 47 118.848 118.848 121.328 -2.480 18834 1269 1 3 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.913 0.155 18834 1270 1 3 . 1 1 47 47 ALA C C 47 180.699 180.699 179.757 0.942 18834 1271 1 3 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.160 -0.243 18834 1272 1 3 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.993 0.637 18834 1273 1 3 . 1 1 47 47 ALA H H 47 7.754 7.754 8.128 -0.374 18834 1274 1 3 . 1 1 48 48 GLU N N 48 124.400 124.400 119.434 4.966 18834 1275 1 3 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.039 -0.216 18834 1276 1 3 . 1 1 48 48 GLU C C 48 178.174 178.174 179.122 -0.948 18834 1277 1 3 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.673 1.236 18834 1278 1 3 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.284 0.475 18834 1279 1 3 . 1 1 48 48 GLU H H 48 9.317 9.317 8.563 0.754 18834 1280 1 3 . 1 1 49 49 SER N N 49 113.388 113.388 114.133 -0.745 18834 1281 1 3 . 1 1 49 49 SER HA H 49 4.100 4.100 4.190 -0.090 18834 1282 1 3 . 1 1 49 49 SER C C 49 175.693 175.693 176.453 -0.760 18834 1283 1 3 . 1 1 49 49 SER CA C 49 61.233 61.233 60.901 0.332 18834 1284 1 3 . 1 1 49 49 SER CB C 49 62.780 62.780 63.254 -0.474 18834 1285 1 3 . 1 1 49 49 SER H H 49 8.115 8.115 8.513 -0.398 18834 1286 1 3 . 1 1 50 50 ASP N N 50 120.047 120.047 119.403 0.644 18834 1287 1 3 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.592 -0.214 18834 1288 1 3 . 1 1 50 50 ASP C C 50 177.650 177.650 177.289 0.361 18834 1289 1 3 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.658 2.556 18834 1290 1 3 . 1 1 50 50 ASP CB C 50 44.241 44.241 42.277 1.964 18834 1291 1 3 . 1 1 50 50 ASP H H 50 7.609 7.609 8.001 -0.392 18834 1292 1 3 . 1 1 51 51 GLY N N 51 102.979 102.979 107.597 -4.618 18834 1293 1 3 . 1 1 51 51 GLY C C 51 174.977 174.977 175.284 -0.307 18834 1294 1 3 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.326 1.026 18834 1295 1 3 . 1 1 51 51 GLY H H 51 7.372 7.372 8.136 -0.764 18834 1296 1 3 . 1 1 52 52 ARG N N 52 117.579 117.579 118.589 -1.010 18834 1297 1 3 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.427 -0.113 18834 1298 1 3 . 1 1 52 52 ARG C C 52 175.886 175.886 175.453 0.433 18834 1299 1 3 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.908 1.986 18834 1300 1 3 . 1 1 52 52 ARG CB C 52 33.246 33.246 31.011 2.235 18834 1301 1 3 . 1 1 52 52 ARG H H 52 7.966 7.966 7.924 0.042 18834 1302 1 3 . 1 1 53 53 ILE N N 53 120.155 120.155 117.464 2.691 18834 1303 1 3 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.198 0.038 18834 1304 1 3 . 1 1 53 53 ILE C C 53 173.773 173.773 173.580 0.193 18834 1305 1 3 . 1 1 53 53 ILE CA C 53 61.405 61.405 59.973 1.432 18834 1306 1 3 . 1 1 53 53 ILE CB C 53 39.641 39.641 42.419 -2.779 18834 1307 1 3 . 1 1 53 53 ILE H H 53 8.225 8.225 7.556 0.669 18834 1308 1 3 . 1 1 54 54 HIS N N 54 123.751 123.751 118.555 5.196 18834 1309 1 3 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.913 -0.123 18834 1310 1 3 . 1 1 54 54 HIS C C 54 173.696 173.696 174.108 -0.412 18834 1311 1 3 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.383 0.461 18834 1312 1 3 . 1 1 54 54 HIS CB C 54 33.566 33.566 31.268 2.298 18834 1313 1 3 . 1 1 54 54 HIS H H 54 9.061 9.061 7.984 1.077 18834 1314 1 3 . 1 1 55 55 LYS N N 55 120.590 120.590 120.078 0.512 18834 1315 1 3 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.265 -0.639 18834 1316 1 3 . 1 1 55 55 LYS C C 55 176.916 176.916 177.615 -0.699 18834 1317 1 3 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.273 1.031 18834 1318 1 3 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.632 -0.211 18834 1319 1 3 . 1 1 55 55 LYS H H 55 8.670 8.670 8.485 0.185 18834 1320 1 3 . 1 1 56 56 GLY N N 56 114.645 114.645 111.922 2.723 18834 1321 1 3 . 1 1 56 56 GLY C C 56 174.438 174.438 174.714 -0.276 18834 1322 1 3 . 1 1 56 56 GLY CA C 56 44.762 44.762 45.019 -0.257 18834 1323 1 3 . 1 1 56 56 GLY H H 56 9.201 9.201 8.754 0.447 18834 1324 1 3 . 1 1 57 57 ASP N N 57 121.982 121.982 123.792 -1.810 18834 1325 1 3 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.920 -0.033 18834 1326 1 3 . 1 1 57 57 ASP C C 57 174.623 174.623 174.319 0.304 18834 1327 1 3 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.320 0.516 18834 1328 1 3 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.601 -0.518 18834 1329 1 3 . 1 1 57 57 ASP H H 57 8.058 8.058 7.562 0.496 18834 1330 1 3 . 1 1 58 58 ARG N N 58 123.240 123.240 120.139 3.101 18834 1331 1 3 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.844 -0.229 18834 1332 1 3 . 1 1 58 58 ARG C C 58 175.573 175.573 174.567 1.006 18834 1333 1 3 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.697 -0.176 18834 1334 1 3 . 1 1 58 58 ARG CB C 58 33.701 33.701 33.612 0.089 18834 1335 1 3 . 1 1 58 58 ARG H H 58 9.078 9.078 8.313 0.765 18834 1336 1 3 . 1 1 59 59 VAL N N 59 126.202 126.202 123.735 2.467 18834 1337 1 3 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.289 -0.426 18834 1338 1 3 . 1 1 59 59 VAL C C 59 174.458 174.458 175.049 -0.591 18834 1339 1 3 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.336 -0.133 18834 1340 1 3 . 1 1 59 59 VAL CB C 59 30.998 30.998 32.269 -1.270 18834 1341 1 3 . 1 1 59 59 VAL H H 59 8.897 8.897 8.700 0.197 18834 1342 1 3 . 1 1 60 60 LEU N N 60 127.163 127.163 126.460 0.703 18834 1343 1 3 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.398 -0.102 18834 1344 1 3 . 1 1 60 60 LEU C C 60 178.289 178.289 176.341 1.948 18834 1345 1 3 . 1 1 60 60 LEU CA C 60 56.054 56.054 55.689 0.365 18834 1346 1 3 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.996 -0.384 18834 1347 1 3 . 1 1 60 60 LEU H H 60 9.213 9.213 8.437 0.776 18834 1348 1 3 . 1 1 61 61 ALA N N 61 118.886 118.886 117.734 1.152 18834 1349 1 3 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.059 -0.105 18834 1350 1 3 . 1 1 61 61 ALA C C 61 175.288 175.288 175.206 0.082 18834 1351 1 3 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.618 1.661 18834 1352 1 3 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.376 -0.280 18834 1353 1 3 . 1 1 61 61 ALA H H 61 7.741 7.741 7.300 0.441 18834 1354 1 3 . 1 1 62 62 VAL N N 62 119.929 119.929 119.584 0.345 18834 1355 1 3 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.379 0.071 18834 1356 1 3 . 1 1 62 62 VAL C C 62 175.323 175.323 176.272 -0.949 18834 1357 1 3 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.874 -0.456 18834 1358 1 3 . 1 1 62 62 VAL CB C 62 34.050 34.050 34.240 -0.190 18834 1359 1 3 . 1 1 62 62 VAL H H 62 8.256 8.256 8.033 0.223 18834 1360 1 3 . 1 1 63 63 ASN N N 63 128.933 128.933 127.288 1.645 18834 1361 1 3 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.423 0.122 18834 1362 1 3 . 1 1 63 63 ASN C C 63 175.197 175.197 175.333 -0.136 18834 1363 1 3 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.238 -0.070 18834 1364 1 3 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.968 -1.072 18834 1365 1 3 . 1 1 63 63 ASN H H 63 10.392 10.392 9.538 0.854 18834 1366 1 3 . 1 1 64 64 GLY N N 64 103.413 103.413 102.068 1.345 18834 1367 1 3 . 1 1 64 64 GLY C C 64 173.872 173.872 174.363 -0.491 18834 1368 1 3 . 1 1 64 64 GLY CA C 64 45.171 45.171 45.277 -0.106 18834 1369 1 3 . 1 1 64 64 GLY H H 64 9.085 9.085 8.638 0.447 18834 1370 1 3 . 1 1 65 65 VAL N N 65 123.643 123.643 122.933 0.710 18834 1371 1 3 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.080 -0.132 18834 1372 1 3 . 1 1 65 65 VAL C C 65 175.645 175.645 175.518 0.127 18834 1373 1 3 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.627 0.509 18834 1374 1 3 . 1 1 65 65 VAL CB C 65 31.640 31.640 32.129 -0.489 18834 1375 1 3 . 1 1 65 65 VAL H H 65 8.028 8.028 7.718 0.310 18834 1376 1 3 . 1 1 66 66 SER N N 66 120.923 120.923 122.895 -1.972 18834 1377 1 3 . 1 1 66 66 SER HA H 66 4.334 4.334 4.237 0.097 18834 1378 1 3 . 1 1 66 66 SER C C 66 176.388 176.388 174.236 2.152 18834 1379 1 3 . 1 1 66 66 SER CA C 66 58.342 58.342 59.431 -1.089 18834 1380 1 3 . 1 1 66 66 SER CB C 66 63.562 63.562 63.331 0.231 18834 1381 1 3 . 1 1 66 66 SER H H 66 8.647 8.647 8.737 -0.090 18834 1382 1 3 . 1 1 67 67 LEU N N 67 125.116 125.116 128.198 -3.082 18834 1383 1 3 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.635 -0.197 18834 1384 1 3 . 1 1 67 67 LEU C C 67 176.462 176.462 176.074 0.388 18834 1385 1 3 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.118 -0.386 18834 1386 1 3 . 1 1 67 67 LEU CB C 67 40.890 40.890 43.193 -2.303 18834 1387 1 3 . 1 1 67 67 LEU H H 67 8.292 8.292 8.585 -0.293 18834 1388 1 3 . 1 1 68 68 GLU N N 68 123.552 123.552 119.292 4.260 18834 1389 1 3 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.056 -0.021 18834 1390 1 3 . 1 1 68 68 GLU C C 68 177.767 177.767 176.855 0.912 18834 1391 1 3 . 1 1 68 68 GLU CA C 68 58.571 58.571 57.768 0.803 18834 1392 1 3 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.047 0.005 18834 1393 1 3 . 1 1 68 68 GLU H H 68 8.305 8.305 7.593 0.712 18834 1394 1 3 . 1 1 69 69 GLY N N 69 115.496 115.496 112.174 3.322 18834 1395 1 3 . 1 1 69 69 GLY C C 69 173.618 173.618 174.365 -0.747 18834 1396 1 3 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.907 0.489 18834 1397 1 3 . 1 1 69 69 GLY H H 69 8.977 8.977 8.370 0.607 18834 1398 1 3 . 1 1 70 70 ALA N N 70 121.999 121.999 124.724 -2.725 18834 1399 1 3 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.686 -0.184 18834 1400 1 3 . 1 1 70 70 ALA C C 70 179.820 179.820 176.517 3.303 18834 1401 1 3 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.163 1.252 18834 1402 1 3 . 1 1 70 70 ALA CB C 70 19.638 19.638 20.444 -0.806 18834 1403 1 3 . 1 1 70 70 ALA H H 70 7.807 7.807 8.005 -0.198 18834 1404 1 3 . 1 1 71 71 THR N N 71 111.294 111.294 113.652 -2.358 18834 1405 1 3 . 1 1 71 71 THR HA H 71 4.515 4.515 4.410 0.105 18834 1406 1 3 . 1 1 71 71 THR C C 71 174.717 174.717 175.870 -1.153 18834 1407 1 3 . 1 1 71 71 THR CA C 71 60.692 60.692 60.631 0.061 18834 1408 1 3 . 1 1 71 71 THR CB C 71 71.274 71.274 70.580 0.694 18834 1409 1 3 . 1 1 71 71 THR H H 71 8.222 8.222 8.271 -0.049 18834 1410 1 3 . 1 1 72 72 HIS N N 72 121.871 121.871 120.763 1.108 18834 1411 1 3 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.202 -0.342 18834 1412 1 3 . 1 1 72 72 HIS C C 72 176.702 176.702 177.402 -0.700 18834 1413 1 3 . 1 1 72 72 HIS CA C 72 61.983 61.983 61.011 0.972 18834 1414 1 3 . 1 1 72 72 HIS CB C 72 30.047 30.047 30.149 -0.102 18834 1415 1 3 . 1 1 72 72 HIS H H 72 9.217 9.217 8.864 0.353 18834 1416 1 3 . 1 1 73 73 LYS N N 73 116.941 116.941 118.522 -1.581 18834 1417 1 3 . 1 1 73 73 LYS HA H 73 3.824 3.824 4.062 -0.238 18834 1418 1 3 . 1 1 73 73 LYS C C 73 178.288 178.288 179.010 -0.722 18834 1419 1 3 . 1 1 73 73 LYS CA C 73 59.350 59.350 58.971 0.379 18834 1420 1 3 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.625 1.186 18834 1421 1 3 . 1 1 73 73 LYS H H 73 8.429 8.429 8.383 0.046 18834 1422 1 3 . 1 1 74 74 GLN N N 74 116.915 116.915 118.606 -1.691 18834 1423 1 3 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.958 -0.089 18834 1424 1 3 . 1 1 74 74 GLN C C 74 179.732 179.732 178.496 1.236 18834 1425 1 3 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.846 -0.248 18834 1426 1 3 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.561 -0.210 18834 1427 1 3 . 1 1 74 74 GLN H H 74 7.660 7.660 7.763 -0.103 18834 1428 1 3 . 1 1 75 75 ALA N N 75 122.673 122.673 121.824 0.849 18834 1429 1 3 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.912 -0.124 18834 1430 1 3 . 1 1 75 75 ALA C C 75 179.078 179.078 179.308 -0.230 18834 1431 1 3 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.591 -0.025 18834 1432 1 3 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.289 0.562 18834 1433 1 3 . 1 1 75 75 ALA H H 75 8.379 8.379 8.395 -0.016 18834 1434 1 3 . 1 1 76 76 VAL N N 76 112.831 112.831 115.359 -2.528 18834 1435 1 3 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.812 -0.307 18834 1436 1 3 . 1 1 76 76 VAL CA C 76 65.895 65.895 65.035 0.860 18834 1437 1 3 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.073 -0.382 18834 1438 1 3 . 1 1 76 76 VAL H H 76 8.239 8.239 7.522 0.717 18834 1439 1 3 . 1 1 77 77 CYS C C 77 177.150 177.150 177.040 0.110 18834 1440 1 3 . 1 1 77 77 CYS CA C 77 60.391 60.391 62.975 -2.584 18834 1441 1 3 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.454 10.328 18834 1442 1 3 . 1 1 78 78 THR N N 78 117.507 117.507 117.841 -0.334 18834 1443 1 3 . 1 1 78 78 THR HA H 78 3.858 3.858 3.916 -0.058 18834 1444 1 3 . 1 1 78 78 THR C C 78 176.460 176.460 176.372 0.088 18834 1445 1 3 . 1 1 78 78 THR CA C 78 67.123 67.123 66.824 0.299 18834 1446 1 3 . 1 1 78 78 THR CB C 78 68.123 68.123 68.696 -0.573 18834 1447 1 3 . 1 1 78 78 THR H H 78 8.015 8.015 8.308 -0.293 18834 1448 1 3 . 1 1 79 79 LEU N N 79 119.666 119.666 121.528 -1.862 18834 1449 1 3 . 1 1 79 79 LEU HA H 79 3.750 3.750 3.979 -0.229 18834 1450 1 3 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.831 0.359 18834 1451 1 3 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.431 0.641 18834 1452 1 3 . 1 1 79 79 LEU H H 79 7.984 7.984 7.735 0.249 18834 1453 1 3 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.078 0.119 18834 1454 1 3 . 1 1 80 80 ARG C C 80 177.750 177.750 178.894 -1.144 18834 1455 1 3 . 1 1 80 80 ARG CA C 80 58.307 58.307 58.521 -0.214 18834 1456 1 3 . 1 1 80 80 ARG CB C 80 30.092 30.092 29.602 0.490 18834 1457 1 3 . 1 1 81 81 ASN N N 81 119.843 119.843 117.010 2.833 18834 1458 1 3 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.481 0.503 18834 1459 1 3 . 1 1 81 81 ASN C C 81 174.819 174.819 175.814 -0.995 18834 1460 1 3 . 1 1 81 81 ASN CA C 81 53.113 53.113 55.064 -1.951 18834 1461 1 3 . 1 1 81 81 ASN CB C 81 37.668 37.668 38.765 -1.097 18834 1462 1 3 . 1 1 81 81 ASN H H 81 7.648 7.648 8.421 -0.773 18834 1463 1 3 . 1 1 82 82 THR N N 82 109.907 109.907 110.950 -1.043 18834 1464 1 3 . 1 1 82 82 THR HA H 82 4.447 4.447 4.496 -0.049 18834 1465 1 3 . 1 1 82 82 THR C C 82 175.114 175.114 175.595 -0.481 18834 1466 1 3 . 1 1 82 82 THR CA C 82 59.944 59.944 61.928 -1.984 18834 1467 1 3 . 1 1 82 82 THR CB C 82 72.611 72.611 70.158 2.453 18834 1468 1 3 . 1 1 82 82 THR H H 82 7.668 7.668 7.397 0.271 18834 1469 1 3 . 1 1 83 83 GLY N N 83 109.505 109.505 107.753 1.752 18834 1470 1 3 . 1 1 83 83 GLY C C 83 173.467 173.467 174.986 -1.519 18834 1471 1 3 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.901 -0.809 18834 1472 1 3 . 1 1 83 83 GLY H H 83 8.421 8.421 8.646 -0.225 18834 1473 1 3 . 1 1 84 84 GLN N N 84 117.276 117.276 118.948 -1.672 18834 1474 1 3 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.164 -0.201 18834 1475 1 3 . 1 1 84 84 GLN C C 84 175.254 175.254 176.626 -1.372 18834 1476 1 3 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.263 0.180 18834 1477 1 3 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.109 -0.136 18834 1478 1 3 . 1 1 84 84 GLN H H 84 8.224 8.224 8.419 -0.195 18834 1479 1 3 . 1 1 85 85 VAL N N 85 116.186 116.186 117.745 -1.559 18834 1480 1 3 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.354 0.300 18834 1481 1 3 . 1 1 85 85 VAL C C 85 175.879 175.879 175.763 0.116 18834 1482 1 3 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.543 -0.245 18834 1483 1 3 . 1 1 85 85 VAL CB C 85 33.130 33.130 32.953 0.177 18834 1484 1 3 . 1 1 85 85 VAL H H 85 7.699 7.699 7.731 -0.032 18834 1485 1 3 . 1 1 86 86 VAL N N 86 128.499 128.499 126.156 2.343 18834 1486 1 3 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.397 0.050 18834 1487 1 3 . 1 1 86 86 VAL C C 86 173.365 173.365 174.212 -0.847 18834 1488 1 3 . 1 1 86 86 VAL CA C 86 60.965 60.965 60.948 0.017 18834 1489 1 3 . 1 1 86 86 VAL CB C 86 34.987 34.987 34.397 0.590 18834 1490 1 3 . 1 1 86 86 VAL H H 86 9.043 9.043 8.988 0.055 18834 1491 1 3 . 1 1 87 87 HIS N N 87 126.357 126.357 127.598 -1.241 18834 1492 1 3 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.115 -0.119 18834 1493 1 3 . 1 1 87 87 HIS C C 87 174.387 174.387 174.094 0.293 18834 1494 1 3 . 1 1 87 87 HIS CA C 87 55.802 55.802 55.119 0.683 18834 1495 1 3 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.017 0.162 18834 1496 1 3 . 1 1 87 87 HIS H H 87 8.855 8.855 8.875 -0.020 18834 1497 1 3 . 1 1 88 88 LEU N N 88 126.780 126.780 124.559 2.221 18834 1498 1 3 . 1 1 88 88 LEU HA H 88 4.960 4.960 5.060 -0.100 18834 1499 1 3 . 1 1 88 88 LEU C C 88 173.365 173.365 174.194 -0.829 18834 1500 1 3 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.127 0.367 18834 1501 1 3 . 1 1 88 88 LEU CB C 88 45.187 45.187 43.696 1.491 18834 1502 1 3 . 1 1 88 88 LEU H H 88 9.016 9.016 8.660 0.356 18834 1503 1 3 . 1 1 89 89 LEU N N 89 124.435 124.435 123.923 0.512 18834 1504 1 3 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.510 0.211 18834 1505 1 3 . 1 1 89 89 LEU C C 89 175.213 175.213 176.262 -1.049 18834 1506 1 3 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.545 -0.884 18834 1507 1 3 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.306 3.085 18834 1508 1 3 . 1 1 89 89 LEU H H 89 7.965 7.965 8.098 -0.133 18834 1509 1 3 . 1 1 90 90 LEU N N 90 127.444 127.444 120.712 6.732 18834 1510 1 3 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.052 0.231 18834 1511 1 3 . 1 1 90 90 LEU C C 90 173.560 173.560 175.537 -1.977 18834 1512 1 3 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.035 2.053 18834 1513 1 3 . 1 1 90 90 LEU CB C 90 45.956 45.956 43.494 2.462 18834 1514 1 3 . 1 1 90 90 LEU H H 90 8.909 8.909 8.692 0.217 18834 1515 1 3 . 1 1 91 91 GLU N N 91 118.954 118.954 119.686 -0.732 18834 1516 1 3 . 1 1 91 91 GLU HA H 91 5.062 5.062 4.937 0.125 18834 1517 1 3 . 1 1 91 91 GLU C C 91 176.652 176.652 175.741 0.911 18834 1518 1 3 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.023 -0.236 18834 1519 1 3 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.910 -0.064 18834 1520 1 3 . 1 1 91 91 GLU H H 91 8.813 8.813 8.825 -0.012 18834 1521 1 3 . 1 1 92 92 LYS N N 92 129.055 129.055 124.736 4.319 18834 1522 1 3 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.441 -0.054 18834 1523 1 3 . 1 1 92 92 LYS C C 92 178.000 178.000 176.651 1.349 18834 1524 1 3 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.812 -0.549 18834 1525 1 3 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.650 -0.579 18834 1526 1 3 . 1 1 92 92 LYS H H 92 9.362 9.362 8.221 1.141 18834 1527 1 3 . 1 1 93 93 GLY N N 93 117.893 117.893 107.263 10.630 18834 1528 1 3 . 1 1 93 93 GLY C C 93 173.147 173.147 173.268 -0.121 18834 1529 1 3 . 1 1 93 93 GLY CA C 93 45.173 45.173 43.496 1.677 18834 1530 1 3 . 1 1 93 93 GLY H H 93 9.698 9.698 8.381 1.317 18834 1531 1 3 . 1 1 94 94 GLN N N 94 116.797 116.797 117.454 -0.657 18834 1532 1 3 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.040 0.222 18834 1533 1 3 . 1 1 94 94 GLN C C 94 175.942 175.942 174.627 1.315 18834 1534 1 3 . 1 1 94 94 GLN CA C 94 55.514 55.514 56.319 -0.805 18834 1535 1 3 . 1 1 94 94 GLN CB C 94 29.688 29.688 27.742 1.946 18834 1536 1 3 . 1 1 94 94 GLN H H 94 8.252 8.252 8.708 -0.456 18834 1537 1 3 . 1 1 95 95 SER N N 95 118.117 118.117 116.277 1.840 18834 1538 1 3 . 1 1 95 95 SER HA H 95 4.658 4.658 4.946 -0.288 18834 1539 1 3 . 1 1 95 95 SER CA C 95 56.588 56.588 55.702 0.887 18834 1540 1 3 . 1 1 95 95 SER CB C 95 63.194 63.194 64.447 -1.253 18834 1541 1 3 . 1 1 95 95 SER H H 95 8.377 8.377 8.250 0.127 18834 1542 1 3 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.489 -0.012 18834 1543 1 3 . 1 1 96 96 PRO C C 96 176.291 176.291 175.945 0.346 18834 1544 1 3 . 1 1 96 96 PRO CA C 96 63.511 63.511 63.138 0.373 18834 1545 1 3 . 1 1 96 96 PRO CB C 96 31.953 31.953 31.336 0.617 18834 1546 1 4 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.378 0.096 18834 1547 1 4 . 1 1 2 2 PRO C C 2 175.857 175.857 176.160 -0.303 18834 1548 1 4 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.311 0.532 18834 1549 1 4 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.275 -0.007 18834 1550 1 4 . 1 1 3 3 LYS N N 3 124.698 124.698 120.363 4.335 18834 1551 1 4 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.588 0.002 18834 1552 1 4 . 1 1 3 3 LYS CA C 3 53.618 53.618 54.007 -0.389 18834 1553 1 4 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.415 -0.859 18834 1554 1 4 . 1 1 3 3 LYS H H 3 8.952 8.952 8.112 0.840 18834 1555 1 4 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.165 -0.221 18834 1556 1 4 . 1 1 4 4 PRO C C 4 177.504 177.504 177.215 0.289 18834 1557 1 4 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.526 0.018 18834 1558 1 4 . 1 1 4 4 PRO CB C 4 31.770 31.770 30.917 0.853 18834 1559 1 4 . 1 1 5 5 GLY N N 5 113.728 113.728 114.133 -0.405 18834 1560 1 4 . 1 1 5 5 GLY C C 5 174.146 174.146 174.100 0.046 18834 1561 1 4 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.812 0.221 18834 1562 1 4 . 1 1 5 5 GLY H H 5 9.011 9.011 8.268 0.743 18834 1563 1 4 . 1 1 6 6 ASP N N 6 121.776 121.776 121.172 0.604 18834 1564 1 4 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.739 -0.069 18834 1565 1 4 . 1 1 6 6 ASP C C 6 175.673 175.673 175.778 -0.105 18834 1566 1 4 . 1 1 6 6 ASP CA C 6 54.918 54.918 53.976 0.942 18834 1567 1 4 . 1 1 6 6 ASP CB C 6 41.446 41.446 42.151 -0.705 18834 1568 1 4 . 1 1 6 6 ASP H H 6 8.468 8.468 8.144 0.324 18834 1569 1 4 . 1 1 7 7 ILE N N 7 121.570 121.570 123.469 -1.899 18834 1570 1 4 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.775 0.556 18834 1571 1 4 . 1 1 7 7 ILE C C 7 176.824 176.824 175.709 1.115 18834 1572 1 4 . 1 1 7 7 ILE CA C 7 59.601 59.601 60.669 -1.068 18834 1573 1 4 . 1 1 7 7 ILE CB C 7 38.254 38.254 39.379 -1.125 18834 1574 1 4 . 1 1 7 7 ILE H H 7 8.362 8.362 8.202 0.160 18834 1575 1 4 . 1 1 8 8 PHE N N 8 125.816 125.816 125.023 0.793 18834 1576 1 4 . 1 1 8 8 PHE HA H 8 5.072 5.072 4.977 0.095 18834 1577 1 4 . 1 1 8 8 PHE C C 8 171.149 171.149 173.188 -2.039 18834 1578 1 4 . 1 1 8 8 PHE CA C 8 55.529 55.529 54.927 0.602 18834 1579 1 4 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.109 0.203 18834 1580 1 4 . 1 1 8 8 PHE H H 8 9.476 9.476 8.751 0.725 18834 1581 1 4 . 1 1 9 9 GLU N N 9 118.961 118.961 120.806 -1.845 18834 1582 1 4 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.338 0.875 18834 1583 1 4 . 1 1 9 9 GLU C C 9 175.995 175.995 175.778 0.217 18834 1584 1 4 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.184 -1.194 18834 1585 1 4 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.899 1.529 18834 1586 1 4 . 1 1 9 9 GLU H H 9 8.490 8.490 8.480 0.010 18834 1587 1 4 . 1 1 10 10 VAL N N 10 119.964 119.964 118.247 1.717 18834 1588 1 4 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.512 -0.375 18834 1589 1 4 . 1 1 10 10 VAL C C 10 173.221 173.221 173.707 -0.486 18834 1590 1 4 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.832 1.259 18834 1591 1 4 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.770 0.996 18834 1592 1 4 . 1 1 10 10 VAL H H 10 8.577 8.577 7.839 0.738 18834 1593 1 4 . 1 1 11 11 GLU N N 11 126.219 126.219 121.873 4.346 18834 1594 1 4 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.138 -0.183 18834 1595 1 4 . 1 1 11 11 GLU C C 11 174.538 174.538 175.457 -0.919 18834 1596 1 4 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.571 0.291 18834 1597 1 4 . 1 1 11 11 GLU CB C 11 30.836 30.836 31.413 -0.577 18834 1598 1 4 . 1 1 11 11 GLU H H 11 7.794 7.794 8.257 -0.463 18834 1599 1 4 . 1 1 12 12 LEU N N 12 126.212 126.212 124.995 1.217 18834 1600 1 4 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.661 -0.015 18834 1601 1 4 . 1 1 12 12 LEU C C 12 173.916 173.916 175.221 -1.305 18834 1602 1 4 . 1 1 12 12 LEU CA C 12 53.137 53.137 54.292 -1.155 18834 1603 1 4 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.726 -0.600 18834 1604 1 4 . 1 1 12 12 LEU H H 12 8.848 8.848 8.684 0.164 18834 1605 1 4 . 1 1 13 13 ALA N N 13 126.357 126.357 125.175 1.182 18834 1606 1 4 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.494 0.601 18834 1607 1 4 . 1 1 13 13 ALA C C 13 177.352 177.352 177.386 -0.034 18834 1608 1 4 . 1 1 13 13 ALA CA C 13 49.920 49.920 50.971 -1.051 18834 1609 1 4 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.510 -0.133 18834 1610 1 4 . 1 1 13 13 ALA H H 13 8.494 8.494 8.748 -0.254 18834 1611 1 4 . 1 1 14 14 LYS N N 14 120.000 120.000 123.327 -3.327 18834 1612 1 4 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.090 -0.338 18834 1613 1 4 . 1 1 14 14 LYS C C 14 176.313 176.313 176.181 0.132 18834 1614 1 4 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.251 0.511 18834 1615 1 4 . 1 1 14 14 LYS CB C 14 34.469 34.469 32.861 1.608 18834 1616 1 4 . 1 1 14 14 LYS H H 14 8.496 8.496 7.984 0.512 18834 1617 1 4 . 1 1 15 15 ASN N N 15 117.473 117.473 116.202 1.271 18834 1618 1 4 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.475 0.442 18834 1619 1 4 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.559 -1.072 18834 1620 1 4 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.748 1.936 18834 1621 1 4 . 1 1 15 15 ASN H H 15 8.079 8.079 7.986 0.093 18834 1622 1 4 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.303 -0.044 18834 1623 1 4 . 1 1 16 16 ASP C C 16 175.515 175.515 175.466 0.049 18834 1624 1 4 . 1 1 16 16 ASP CA C 16 55.520 55.520 54.965 0.555 18834 1625 1 4 . 1 1 16 16 ASP CB C 16 39.303 39.303 39.560 -0.257 18834 1626 1 4 . 1 1 17 17 ASN N N 17 110.160 110.160 113.079 -2.919 18834 1627 1 4 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.204 0.028 18834 1628 1 4 . 1 1 17 17 ASN C C 17 174.550 174.550 173.642 0.908 18834 1629 1 4 . 1 1 17 17 ASN CA C 17 54.349 54.349 54.841 -0.492 18834 1630 1 4 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.331 0.124 18834 1631 1 4 . 1 1 17 17 ASN H H 17 8.959 8.959 8.647 0.312 18834 1632 1 4 . 1 1 18 18 SER N N 18 112.013 112.013 114.643 -2.630 18834 1633 1 4 . 1 1 18 18 SER HA H 18 4.976 4.976 4.520 0.456 18834 1634 1 4 . 1 1 18 18 SER CA C 18 56.519 56.519 58.088 -1.569 18834 1635 1 4 . 1 1 18 18 SER CB C 18 65.053 65.053 63.879 1.174 18834 1636 1 4 . 1 1 18 18 SER H H 18 7.892 7.892 7.509 0.383 18834 1637 1 4 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.631 -0.375 18834 1638 1 4 . 1 1 19 19 LEU C C 19 176.996 176.996 175.948 1.048 18834 1639 1 4 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.811 1.134 18834 1640 1 4 . 1 1 19 19 LEU CB C 19 43.178 43.178 45.242 -2.064 18834 1641 1 4 . 1 1 20 20 GLY N N 20 105.651 105.651 114.136 -8.485 18834 1642 1 4 . 1 1 20 20 GLY C C 20 176.218 176.218 173.097 3.121 18834 1643 1 4 . 1 1 20 20 GLY CA C 20 46.868 46.868 45.188 1.680 18834 1644 1 4 . 1 1 20 20 GLY H H 20 8.804 8.804 8.320 0.484 18834 1645 1 4 . 1 1 21 21 ILE N N 21 115.348 115.348 119.854 -4.506 18834 1646 1 4 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.824 0.018 18834 1647 1 4 . 1 1 21 21 ILE C C 21 175.987 175.987 175.945 0.042 18834 1648 1 4 . 1 1 21 21 ILE CA C 21 59.795 59.795 58.961 0.834 18834 1649 1 4 . 1 1 21 21 ILE CB C 21 42.334 42.334 39.035 3.299 18834 1650 1 4 . 1 1 21 21 ILE H H 21 7.775 7.775 7.780 -0.005 18834 1651 1 4 . 1 1 22 22 CYS N N 22 123.503 123.503 120.281 3.222 18834 1652 1 4 . 1 1 22 22 CYS C C 22 176.187 176.187 174.286 1.901 18834 1653 1 4 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.254 -4.475 18834 1654 1 4 . 1 1 22 22 CYS CB C 22 36.527 36.527 30.631 5.896 18834 1655 1 4 . 1 1 22 22 CYS H H 22 8.533 8.533 8.406 0.127 18834 1656 1 4 . 1 1 23 23 VAL N N 23 114.882 114.882 115.317 -0.435 18834 1657 1 4 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.244 0.204 18834 1658 1 4 . 1 1 23 23 VAL C C 23 174.219 174.219 174.168 0.051 18834 1659 1 4 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.454 -1.032 18834 1660 1 4 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.564 -0.470 18834 1661 1 4 . 1 1 23 23 VAL H H 23 7.720 7.720 8.395 -0.675 18834 1662 1 4 . 1 1 24 24 THR N N 24 115.462 115.462 114.085 1.377 18834 1663 1 4 . 1 1 24 24 THR HA H 24 4.691 4.691 4.573 0.118 18834 1664 1 4 . 1 1 24 24 THR C C 24 171.649 171.649 172.575 -0.926 18834 1665 1 4 . 1 1 24 24 THR CA C 24 59.560 59.560 60.803 -1.243 18834 1666 1 4 . 1 1 24 24 THR CB C 24 70.573 70.573 69.935 0.638 18834 1667 1 4 . 1 1 24 24 THR H H 24 9.175 9.175 8.537 0.638 18834 1668 1 4 . 1 1 25 25 GLY N N 25 111.734 111.734 110.644 1.090 18834 1669 1 4 . 1 1 25 25 GLY C C 25 174.216 174.216 173.290 0.926 18834 1670 1 4 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.564 0.100 18834 1671 1 4 . 1 1 25 25 GLY H H 25 8.323 8.323 8.322 0.001 18834 1672 1 4 . 1 1 26 26 GLY N N 26 107.524 107.524 107.872 -0.348 18834 1673 1 4 . 1 1 26 26 GLY C C 26 176.306 176.306 174.428 1.878 18834 1674 1 4 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.295 -1.525 18834 1675 1 4 . 1 1 26 26 GLY H H 26 7.541 7.541 7.832 -0.291 18834 1676 1 4 . 1 1 27 27 VAL N N 27 116.903 116.903 122.580 -5.677 18834 1677 1 4 . 1 1 27 27 VAL HA H 27 4.128 4.128 3.950 0.178 18834 1678 1 4 . 1 1 27 27 VAL C C 27 175.716 175.716 176.530 -0.814 18834 1679 1 4 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.526 1.368 18834 1680 1 4 . 1 1 27 27 VAL CB C 27 31.963 31.963 30.474 1.489 18834 1681 1 4 . 1 1 27 27 VAL H H 27 8.055 8.055 8.369 -0.314 18834 1682 1 4 . 1 1 28 28 ASN N N 28 117.840 117.840 112.050 5.790 18834 1683 1 4 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.443 0.360 18834 1684 1 4 . 1 1 28 28 ASN C C 28 174.846 174.846 175.183 -0.337 18834 1685 1 4 . 1 1 28 28 ASN CA C 28 53.480 53.480 53.946 -0.466 18834 1686 1 4 . 1 1 28 28 ASN CB C 28 37.754 37.754 36.853 0.901 18834 1687 1 4 . 1 1 28 28 ASN H H 28 8.779 8.779 8.342 0.437 18834 1688 1 4 . 1 1 29 29 THR N N 29 111.408 111.408 111.042 0.366 18834 1689 1 4 . 1 1 29 29 THR HA H 29 4.690 4.690 4.198 0.492 18834 1690 1 4 . 1 1 29 29 THR CA C 29 61.624 61.624 62.209 -0.585 18834 1691 1 4 . 1 1 29 29 THR CB C 29 70.939 70.939 68.992 1.948 18834 1692 1 4 . 1 1 29 29 THR H H 29 7.857 7.857 7.631 0.226 18834 1693 1 4 . 1 1 30 30 SER N N 30 113.816 113.816 114.576 -0.760 18834 1694 1 4 . 1 1 30 30 SER HA H 30 4.537 4.537 4.113 0.424 18834 1695 1 4 . 1 1 30 30 SER C C 30 174.867 174.867 175.079 -0.212 18834 1696 1 4 . 1 1 30 30 SER CA C 30 58.369 58.369 60.271 -1.902 18834 1697 1 4 . 1 1 30 30 SER CB C 30 63.547 63.547 62.692 0.855 18834 1698 1 4 . 1 1 30 30 SER H H 30 8.438 8.438 8.462 -0.024 18834 1699 1 4 . 1 1 31 31 VAL N N 31 118.013 118.013 115.907 2.106 18834 1700 1 4 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.963 0.135 18834 1701 1 4 . 1 1 31 31 VAL C C 31 176.528 176.528 176.469 0.059 18834 1702 1 4 . 1 1 31 31 VAL CA C 31 62.070 62.070 61.401 0.669 18834 1703 1 4 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.138 0.369 18834 1704 1 4 . 1 1 31 31 VAL H H 31 7.567 7.567 7.368 0.199 18834 1705 1 4 . 1 1 32 32 ARG N N 32 124.719 124.719 126.992 -2.273 18834 1706 1 4 . 1 1 32 32 ARG HA H 32 4.007 4.007 4.049 -0.042 18834 1707 1 4 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.642 -0.633 18834 1708 1 4 . 1 1 32 32 ARG CB C 32 29.571 29.571 30.379 -0.808 18834 1709 1 4 . 1 1 32 32 ARG H H 32 8.501 8.501 8.783 -0.282 18834 1710 1 4 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.563 0.014 18834 1711 1 4 . 1 1 33 33 HIS C C 33 175.064 175.064 175.470 -0.406 18834 1712 1 4 . 1 1 33 33 HIS CA C 33 56.814 56.814 56.350 0.464 18834 1713 1 4 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.192 -1.101 18834 1714 1 4 . 1 1 34 34 GLY N N 34 109.357 109.357 107.896 1.461 18834 1715 1 4 . 1 1 34 34 GLY C C 34 174.616 174.616 173.554 1.062 18834 1716 1 4 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.731 0.863 18834 1717 1 4 . 1 1 34 34 GLY H H 34 8.469 8.469 7.591 0.878 18834 1718 1 4 . 1 1 35 35 GLY N N 35 104.989 104.989 105.713 -0.724 18834 1719 1 4 . 1 1 35 35 GLY C C 35 170.518 170.518 172.706 -2.188 18834 1720 1 4 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.772 0.869 18834 1721 1 4 . 1 1 35 35 GLY H H 35 7.787 7.787 7.780 0.007 18834 1722 1 4 . 1 1 36 36 ILE N N 36 119.808 119.808 120.689 -0.881 18834 1723 1 4 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.904 -0.158 18834 1724 1 4 . 1 1 36 36 ILE C C 36 174.616 174.616 175.071 -0.455 18834 1725 1 4 . 1 1 36 36 ILE CA C 36 56.955 56.955 59.851 -2.896 18834 1726 1 4 . 1 1 36 36 ILE CB C 36 35.618 35.618 39.219 -3.601 18834 1727 1 4 . 1 1 36 36 ILE H H 36 8.362 8.362 8.308 0.054 18834 1728 1 4 . 1 1 37 37 TYR N N 37 123.168 123.168 127.438 -4.270 18834 1729 1 4 . 1 1 37 37 TYR HA H 37 5.268 5.268 5.044 0.224 18834 1730 1 4 . 1 1 37 37 TYR C C 37 176.069 176.069 175.780 0.289 18834 1731 1 4 . 1 1 37 37 TYR CA C 37 55.959 55.959 54.947 1.012 18834 1732 1 4 . 1 1 37 37 TYR CB C 37 42.436 42.436 41.031 1.405 18834 1733 1 4 . 1 1 37 37 TYR H H 37 8.904 8.904 9.358 -0.454 18834 1734 1 4 . 1 1 38 38 VAL N N 38 120.273 120.273 121.859 -1.586 18834 1735 1 4 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.135 -0.336 18834 1736 1 4 . 1 1 38 38 VAL C C 38 175.886 175.886 176.519 -0.633 18834 1737 1 4 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.720 1.364 18834 1738 1 4 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.823 0.621 18834 1739 1 4 . 1 1 38 38 VAL H H 38 9.230 9.230 9.159 0.071 18834 1740 1 4 . 1 1 39 39 LYS N N 39 133.619 133.619 129.358 4.261 18834 1741 1 4 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.136 0.253 18834 1742 1 4 . 1 1 39 39 LYS C C 39 174.763 174.763 175.586 -0.823 18834 1743 1 4 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.958 -1.422 18834 1744 1 4 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.044 1.495 18834 1745 1 4 . 1 1 39 39 LYS H H 39 9.584 9.584 8.253 1.331 18834 1746 1 4 . 1 1 40 40 ALA N N 40 117.459 117.459 117.613 -0.154 18834 1747 1 4 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.538 -0.034 18834 1748 1 4 . 1 1 40 40 ALA C C 40 174.686 174.686 174.737 -0.051 18834 1749 1 4 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.914 -0.017 18834 1750 1 4 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.270 0.975 18834 1751 1 4 . 1 1 40 40 ALA H H 40 7.584 7.584 7.248 0.336 18834 1752 1 4 . 1 1 41 41 VAL N N 41 120.599 120.599 120.105 0.494 18834 1753 1 4 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.404 -0.025 18834 1754 1 4 . 1 1 41 41 VAL C C 41 175.714 175.714 175.600 0.114 18834 1755 1 4 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.413 -0.264 18834 1756 1 4 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.646 -2.140 18834 1757 1 4 . 1 1 41 41 VAL H H 41 8.747 8.747 8.484 0.263 18834 1758 1 4 . 1 1 42 42 ILE N N 42 127.775 127.775 123.311 4.464 18834 1759 1 4 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.576 -0.449 18834 1760 1 4 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.549 1.277 18834 1761 1 4 . 1 1 42 42 ILE CB C 42 38.216 38.216 36.940 1.276 18834 1762 1 4 . 1 1 42 42 ILE H H 42 7.827 7.827 8.467 -0.640 18834 1763 1 4 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.478 -0.003 18834 1764 1 4 . 1 1 43 43 PRO C C 43 177.234 177.234 176.477 0.757 18834 1765 1 4 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.525 1.652 18834 1766 1 4 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.581 -0.780 18834 1767 1 4 . 1 1 44 44 GLN N N 44 116.932 116.932 112.543 4.389 18834 1768 1 4 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.975 -0.127 18834 1769 1 4 . 1 1 44 44 GLN C C 44 175.628 175.628 175.541 0.087 18834 1770 1 4 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.302 0.839 18834 1771 1 4 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.549 -1.107 18834 1772 1 4 . 1 1 44 44 GLN H H 44 9.388 9.388 8.553 0.835 18834 1773 1 4 . 1 1 45 45 GLY N N 45 106.131 106.131 104.863 1.268 18834 1774 1 4 . 1 1 45 45 GLY C C 45 174.404 174.404 174.058 0.346 18834 1775 1 4 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.533 1.125 18834 1776 1 4 . 1 1 45 45 GLY H H 45 7.875 7.875 7.307 0.568 18834 1777 1 4 . 1 1 46 46 ALA N N 46 121.011 121.011 123.286 -2.275 18834 1778 1 4 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.044 0.007 18834 1779 1 4 . 1 1 46 46 ALA C C 46 180.673 180.673 178.934 1.739 18834 1780 1 4 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.522 -0.477 18834 1781 1 4 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.517 -0.009 18834 1782 1 4 . 1 1 46 46 ALA H H 46 9.017 9.017 8.925 0.092 18834 1783 1 4 . 1 1 47 47 ALA N N 47 118.848 118.848 121.578 -2.730 18834 1784 1 4 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.923 0.145 18834 1785 1 4 . 1 1 47 47 ALA C C 47 180.699 180.699 179.754 0.945 18834 1786 1 4 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.140 -0.223 18834 1787 1 4 . 1 1 47 47 ALA CB C 47 18.630 18.630 18.006 0.624 18834 1788 1 4 . 1 1 47 47 ALA H H 47 7.754 7.754 8.130 -0.376 18834 1789 1 4 . 1 1 48 48 GLU N N 48 124.400 124.400 119.095 5.305 18834 1790 1 4 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.063 -0.240 18834 1791 1 4 . 1 1 48 48 GLU C C 48 178.174 178.174 178.892 -0.718 18834 1792 1 4 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.646 1.263 18834 1793 1 4 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.318 0.441 18834 1794 1 4 . 1 1 48 48 GLU H H 48 9.317 9.317 8.592 0.725 18834 1795 1 4 . 1 1 49 49 SER N N 49 113.388 113.388 113.852 -0.464 18834 1796 1 4 . 1 1 49 49 SER HA H 49 4.100 4.100 4.217 -0.117 18834 1797 1 4 . 1 1 49 49 SER C C 49 175.693 175.693 176.455 -0.762 18834 1798 1 4 . 1 1 49 49 SER CA C 49 61.233 61.233 61.471 -0.238 18834 1799 1 4 . 1 1 49 49 SER CB C 49 62.780 62.780 63.182 -0.402 18834 1800 1 4 . 1 1 49 49 SER H H 49 8.115 8.115 8.238 -0.123 18834 1801 1 4 . 1 1 50 50 ASP N N 50 120.047 120.047 119.717 0.330 18834 1802 1 4 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.582 -0.204 18834 1803 1 4 . 1 1 50 50 ASP C C 50 177.650 177.650 177.504 0.146 18834 1804 1 4 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.890 2.324 18834 1805 1 4 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.698 2.543 18834 1806 1 4 . 1 1 50 50 ASP H H 50 7.609 7.609 8.228 -0.619 18834 1807 1 4 . 1 1 51 51 GLY N N 51 102.979 102.979 108.262 -5.283 18834 1808 1 4 . 1 1 51 51 GLY C C 51 174.977 174.977 175.083 -0.106 18834 1809 1 4 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.529 0.823 18834 1810 1 4 . 1 1 51 51 GLY H H 51 7.372 7.372 7.826 -0.454 18834 1811 1 4 . 1 1 52 52 ARG N N 52 117.579 117.579 118.148 -0.569 18834 1812 1 4 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.538 -0.224 18834 1813 1 4 . 1 1 52 52 ARG C C 52 175.886 175.886 175.853 0.033 18834 1814 1 4 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.807 2.087 18834 1815 1 4 . 1 1 52 52 ARG CB C 52 33.246 33.246 30.649 2.597 18834 1816 1 4 . 1 1 52 52 ARG H H 52 7.966 7.966 8.008 -0.042 18834 1817 1 4 . 1 1 53 53 ILE N N 53 120.155 120.155 117.075 3.080 18834 1818 1 4 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.313 -0.077 18834 1819 1 4 . 1 1 53 53 ILE C C 53 173.773 173.773 173.798 -0.025 18834 1820 1 4 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.418 0.987 18834 1821 1 4 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.923 -2.282 18834 1822 1 4 . 1 1 53 53 ILE H H 53 8.225 8.225 7.444 0.781 18834 1823 1 4 . 1 1 54 54 HIS N N 54 123.751 123.751 119.615 4.136 18834 1824 1 4 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.927 -0.137 18834 1825 1 4 . 1 1 54 54 HIS C C 54 173.696 173.696 173.830 -0.134 18834 1826 1 4 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.050 0.794 18834 1827 1 4 . 1 1 54 54 HIS CB C 54 33.566 33.566 32.050 1.516 18834 1828 1 4 . 1 1 54 54 HIS H H 54 9.061 9.061 8.430 0.631 18834 1829 1 4 . 1 1 55 55 LYS N N 55 120.590 120.590 121.410 -0.820 18834 1830 1 4 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.204 -0.578 18834 1831 1 4 . 1 1 55 55 LYS C C 55 176.916 176.916 177.217 -0.301 18834 1832 1 4 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.547 0.757 18834 1833 1 4 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.512 -0.091 18834 1834 1 4 . 1 1 55 55 LYS H H 55 8.670 8.670 8.587 0.083 18834 1835 1 4 . 1 1 56 56 GLY N N 56 114.645 114.645 112.448 2.197 18834 1836 1 4 . 1 1 56 56 GLY C C 56 174.438 174.438 174.601 -0.163 18834 1837 1 4 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.928 -0.166 18834 1838 1 4 . 1 1 56 56 GLY H H 56 9.201 9.201 9.168 0.033 18834 1839 1 4 . 1 1 57 57 ASP N N 57 121.982 121.982 124.522 -2.540 18834 1840 1 4 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.773 0.114 18834 1841 1 4 . 1 1 57 57 ASP C C 57 174.623 174.623 175.144 -0.521 18834 1842 1 4 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.618 0.218 18834 1843 1 4 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.540 -0.457 18834 1844 1 4 . 1 1 57 57 ASP H H 57 8.058 8.058 7.632 0.426 18834 1845 1 4 . 1 1 58 58 ARG N N 58 123.240 123.240 118.820 4.420 18834 1846 1 4 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.629 -0.014 18834 1847 1 4 . 1 1 58 58 ARG C C 58 175.573 175.573 175.642 -0.069 18834 1848 1 4 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.835 -0.314 18834 1849 1 4 . 1 1 58 58 ARG CB C 58 33.701 33.701 32.760 0.941 18834 1850 1 4 . 1 1 58 58 ARG H H 58 9.078 9.078 8.766 0.312 18834 1851 1 4 . 1 1 59 59 VAL N N 59 126.202 126.202 122.439 3.763 18834 1852 1 4 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.264 -0.401 18834 1853 1 4 . 1 1 59 59 VAL C C 59 174.458 174.458 175.455 -0.997 18834 1854 1 4 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.725 -0.522 18834 1855 1 4 . 1 1 59 59 VAL CB C 59 30.998 30.998 31.663 -0.665 18834 1856 1 4 . 1 1 59 59 VAL H H 59 8.897 8.897 8.888 0.009 18834 1857 1 4 . 1 1 60 60 LEU N N 60 127.163 127.163 128.597 -1.434 18834 1858 1 4 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.258 0.038 18834 1859 1 4 . 1 1 60 60 LEU C C 60 178.289 178.289 176.258 2.031 18834 1860 1 4 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.213 -0.159 18834 1861 1 4 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.767 -0.155 18834 1862 1 4 . 1 1 60 60 LEU H H 60 9.213 9.213 8.611 0.602 18834 1863 1 4 . 1 1 61 61 ALA N N 61 118.886 118.886 117.494 1.392 18834 1864 1 4 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.133 -0.179 18834 1865 1 4 . 1 1 61 61 ALA C C 61 175.288 175.288 175.236 0.052 18834 1866 1 4 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.566 1.713 18834 1867 1 4 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.318 -0.222 18834 1868 1 4 . 1 1 61 61 ALA H H 61 7.741 7.741 7.328 0.413 18834 1869 1 4 . 1 1 62 62 VAL N N 62 119.929 119.929 120.507 -0.578 18834 1870 1 4 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.326 0.124 18834 1871 1 4 . 1 1 62 62 VAL C C 62 175.323 175.323 176.263 -0.940 18834 1872 1 4 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.816 -0.398 18834 1873 1 4 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.354 0.696 18834 1874 1 4 . 1 1 62 62 VAL H H 62 8.256 8.256 8.698 -0.442 18834 1875 1 4 . 1 1 63 63 ASN N N 63 128.933 128.933 128.040 0.893 18834 1876 1 4 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.465 0.080 18834 1877 1 4 . 1 1 63 63 ASN C C 63 175.197 175.197 175.302 -0.105 18834 1878 1 4 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.472 -0.304 18834 1879 1 4 . 1 1 63 63 ASN CB C 63 36.896 36.896 38.085 -1.189 18834 1880 1 4 . 1 1 63 63 ASN H H 63 10.392 10.392 9.381 1.011 18834 1881 1 4 . 1 1 64 64 GLY N N 64 103.413 103.413 102.258 1.155 18834 1882 1 4 . 1 1 64 64 GLY C C 64 173.872 173.872 174.488 -0.616 18834 1883 1 4 . 1 1 64 64 GLY CA C 64 45.171 45.171 45.037 0.134 18834 1884 1 4 . 1 1 64 64 GLY H H 64 9.085 9.085 8.490 0.595 18834 1885 1 4 . 1 1 65 65 VAL N N 65 123.643 123.643 123.488 0.155 18834 1886 1 4 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.092 -0.144 18834 1887 1 4 . 1 1 65 65 VAL C C 65 175.645 175.645 175.555 0.090 18834 1888 1 4 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.776 0.360 18834 1889 1 4 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.933 -0.293 18834 1890 1 4 . 1 1 65 65 VAL H H 65 8.028 8.028 7.964 0.064 18834 1891 1 4 . 1 1 66 66 SER N N 66 120.923 120.923 123.401 -2.478 18834 1892 1 4 . 1 1 66 66 SER HA H 66 4.334 4.334 4.224 0.110 18834 1893 1 4 . 1 1 66 66 SER C C 66 176.388 176.388 174.362 2.026 18834 1894 1 4 . 1 1 66 66 SER CA C 66 58.342 58.342 59.402 -1.060 18834 1895 1 4 . 1 1 66 66 SER CB C 66 63.562 63.562 63.453 0.109 18834 1896 1 4 . 1 1 66 66 SER H H 66 8.647 8.647 8.741 -0.094 18834 1897 1 4 . 1 1 67 67 LEU N N 67 125.116 125.116 128.035 -2.919 18834 1898 1 4 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.669 -0.231 18834 1899 1 4 . 1 1 67 67 LEU C C 67 176.462 176.462 176.192 0.270 18834 1900 1 4 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.348 -0.616 18834 1901 1 4 . 1 1 67 67 LEU CB C 67 40.890 40.890 43.001 -2.111 18834 1902 1 4 . 1 1 67 67 LEU H H 67 8.292 8.292 8.943 -0.651 18834 1903 1 4 . 1 1 68 68 GLU N N 68 123.552 123.552 119.912 3.640 18834 1904 1 4 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.320 -0.285 18834 1905 1 4 . 1 1 68 68 GLU C C 68 177.767 177.767 177.127 0.640 18834 1906 1 4 . 1 1 68 68 GLU CA C 68 58.571 58.571 58.170 0.401 18834 1907 1 4 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.190 -0.138 18834 1908 1 4 . 1 1 68 68 GLU H H 68 8.305 8.305 7.507 0.798 18834 1909 1 4 . 1 1 69 69 GLY N N 69 115.496 115.496 111.907 3.589 18834 1910 1 4 . 1 1 69 69 GLY C C 69 173.618 173.618 174.390 -0.772 18834 1911 1 4 . 1 1 69 69 GLY CA C 69 45.396 45.396 45.013 0.383 18834 1912 1 4 . 1 1 69 69 GLY H H 69 8.977 8.977 8.999 -0.022 18834 1913 1 4 . 1 1 70 70 ALA N N 70 121.999 121.999 124.250 -2.251 18834 1914 1 4 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.516 -0.014 18834 1915 1 4 . 1 1 70 70 ALA C C 70 179.820 179.820 176.250 3.570 18834 1916 1 4 . 1 1 70 70 ALA CA C 70 52.415 52.415 52.008 0.408 18834 1917 1 4 . 1 1 70 70 ALA CB C 70 19.638 19.638 19.536 0.102 18834 1918 1 4 . 1 1 70 70 ALA H H 70 7.807 7.807 8.152 -0.345 18834 1919 1 4 . 1 1 71 71 THR N N 71 111.294 111.294 113.948 -2.654 18834 1920 1 4 . 1 1 71 71 THR HA H 71 4.515 4.515 4.356 0.159 18834 1921 1 4 . 1 1 71 71 THR C C 71 174.717 174.717 175.966 -1.249 18834 1922 1 4 . 1 1 71 71 THR CA C 71 60.692 60.692 60.093 0.599 18834 1923 1 4 . 1 1 71 71 THR CB C 71 71.274 71.274 70.904 0.370 18834 1924 1 4 . 1 1 71 71 THR H H 71 8.222 8.222 8.002 0.220 18834 1925 1 4 . 1 1 72 72 HIS N N 72 121.871 121.871 119.931 1.940 18834 1926 1 4 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.251 -0.391 18834 1927 1 4 . 1 1 72 72 HIS C C 72 176.702 176.702 177.120 -0.418 18834 1928 1 4 . 1 1 72 72 HIS CA C 72 61.983 61.983 59.998 1.985 18834 1929 1 4 . 1 1 72 72 HIS CB C 72 30.047 30.047 28.818 1.229 18834 1930 1 4 . 1 1 72 72 HIS H H 72 9.217 9.217 8.994 0.223 18834 1931 1 4 . 1 1 73 73 LYS N N 73 116.941 116.941 119.510 -2.569 18834 1932 1 4 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.736 0.088 18834 1933 1 4 . 1 1 73 73 LYS C C 73 178.288 178.288 179.261 -0.973 18834 1934 1 4 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.687 -0.337 18834 1935 1 4 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.931 0.880 18834 1936 1 4 . 1 1 73 73 LYS H H 73 8.429 8.429 7.449 0.980 18834 1937 1 4 . 1 1 74 74 GLN N N 74 116.915 116.915 117.689 -0.774 18834 1938 1 4 . 1 1 74 74 GLN HA H 74 3.869 3.869 4.015 -0.146 18834 1939 1 4 . 1 1 74 74 GLN C C 74 179.732 179.732 178.567 1.165 18834 1940 1 4 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.465 0.134 18834 1941 1 4 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.163 0.188 18834 1942 1 4 . 1 1 74 74 GLN H H 74 7.660 7.660 7.646 0.014 18834 1943 1 4 . 1 1 75 75 ALA N N 75 122.673 122.673 123.072 -0.399 18834 1944 1 4 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.999 -0.211 18834 1945 1 4 . 1 1 75 75 ALA C C 75 179.078 179.078 179.782 -0.704 18834 1946 1 4 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.270 0.296 18834 1947 1 4 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.362 0.489 18834 1948 1 4 . 1 1 75 75 ALA H H 75 8.379 8.379 8.452 -0.073 18834 1949 1 4 . 1 1 76 76 VAL N N 76 112.831 112.831 117.916 -5.085 18834 1950 1 4 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.756 -0.251 18834 1951 1 4 . 1 1 76 76 VAL CA C 76 65.895 65.895 66.654 -0.760 18834 1952 1 4 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.463 -0.772 18834 1953 1 4 . 1 1 76 76 VAL H H 76 8.239 8.239 8.123 0.116 18834 1954 1 4 . 1 1 77 77 CYS C C 77 177.150 177.150 177.190 -0.040 18834 1955 1 4 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.605 -3.214 18834 1956 1 4 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.463 10.319 18834 1957 1 4 . 1 1 78 78 THR N N 78 117.507 117.507 115.881 1.626 18834 1958 1 4 . 1 1 78 78 THR HA H 78 3.858 3.858 4.079 -0.221 18834 1959 1 4 . 1 1 78 78 THR C C 78 176.460 176.460 175.721 0.739 18834 1960 1 4 . 1 1 78 78 THR CA C 78 67.123 67.123 66.240 0.883 18834 1961 1 4 . 1 1 78 78 THR CB C 78 68.123 68.123 68.800 -0.677 18834 1962 1 4 . 1 1 78 78 THR H H 78 8.015 8.015 7.951 0.064 18834 1963 1 4 . 1 1 79 79 LEU N N 79 119.666 119.666 120.221 -0.555 18834 1964 1 4 . 1 1 79 79 LEU HA H 79 3.750 3.750 3.987 -0.237 18834 1965 1 4 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.531 0.659 18834 1966 1 4 . 1 1 79 79 LEU CB C 79 42.072 42.072 42.171 -0.099 18834 1967 1 4 . 1 1 79 79 LEU H H 79 7.984 7.984 7.709 0.275 18834 1968 1 4 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.035 0.162 18834 1969 1 4 . 1 1 80 80 ARG C C 80 177.750 177.750 178.873 -1.123 18834 1970 1 4 . 1 1 80 80 ARG CA C 80 58.307 58.307 58.937 -0.630 18834 1971 1 4 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.661 -0.569 18834 1972 1 4 . 1 1 81 81 ASN N N 81 119.843 119.843 119.322 0.521 18834 1973 1 4 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.664 0.320 18834 1974 1 4 . 1 1 81 81 ASN C C 81 174.819 174.819 175.148 -0.329 18834 1975 1 4 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.725 -0.612 18834 1976 1 4 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.062 0.606 18834 1977 1 4 . 1 1 81 81 ASN H H 81 7.648 7.648 7.970 -0.322 18834 1978 1 4 . 1 1 82 82 THR N N 82 109.907 109.907 111.451 -1.544 18834 1979 1 4 . 1 1 82 82 THR HA H 82 4.447 4.447 4.704 -0.257 18834 1980 1 4 . 1 1 82 82 THR C C 82 175.114 175.114 175.022 0.092 18834 1981 1 4 . 1 1 82 82 THR CA C 82 59.944 59.944 60.759 -0.815 18834 1982 1 4 . 1 1 82 82 THR CB C 82 72.611 72.611 71.443 1.168 18834 1983 1 4 . 1 1 82 82 THR H H 82 7.668 7.668 7.821 -0.153 18834 1984 1 4 . 1 1 83 83 GLY N N 83 109.505 109.505 107.098 2.407 18834 1985 1 4 . 1 1 83 83 GLY C C 83 173.467 173.467 174.785 -1.318 18834 1986 1 4 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.298 -0.206 18834 1987 1 4 . 1 1 83 83 GLY H H 83 8.421 8.421 8.616 -0.195 18834 1988 1 4 . 1 1 84 84 GLN N N 84 117.276 117.276 119.051 -1.775 18834 1989 1 4 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.121 -0.158 18834 1990 1 4 . 1 1 84 84 GLN C C 84 175.254 175.254 176.614 -1.360 18834 1991 1 4 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.368 0.075 18834 1992 1 4 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.127 -0.154 18834 1993 1 4 . 1 1 84 84 GLN H H 84 8.224 8.224 8.541 -0.317 18834 1994 1 4 . 1 1 85 85 VAL N N 85 116.186 116.186 117.048 -0.862 18834 1995 1 4 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.331 0.323 18834 1996 1 4 . 1 1 85 85 VAL C C 85 175.879 175.879 175.912 -0.033 18834 1997 1 4 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.889 -0.591 18834 1998 1 4 . 1 1 85 85 VAL CB C 85 33.130 33.130 32.787 0.343 18834 1999 1 4 . 1 1 85 85 VAL H H 85 7.699 7.699 7.721 -0.022 18834 2000 1 4 . 1 1 86 86 VAL N N 86 128.499 128.499 125.942 2.557 18834 2001 1 4 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.287 0.160 18834 2002 1 4 . 1 1 86 86 VAL C C 86 173.365 173.365 174.643 -1.278 18834 2003 1 4 . 1 1 86 86 VAL CA C 86 60.965 60.965 61.355 -0.390 18834 2004 1 4 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.385 1.602 18834 2005 1 4 . 1 1 86 86 VAL H H 86 9.043 9.043 9.174 -0.131 18834 2006 1 4 . 1 1 87 87 HIS N N 87 126.357 126.357 127.209 -0.852 18834 2007 1 4 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.179 -0.183 18834 2008 1 4 . 1 1 87 87 HIS C C 87 174.387 174.387 174.172 0.215 18834 2009 1 4 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.666 1.136 18834 2010 1 4 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.141 0.038 18834 2011 1 4 . 1 1 87 87 HIS H H 87 8.855 8.855 8.875 -0.020 18834 2012 1 4 . 1 1 88 88 LEU N N 88 126.780 126.780 122.790 3.990 18834 2013 1 4 . 1 1 88 88 LEU HA H 88 4.960 4.960 5.013 -0.053 18834 2014 1 4 . 1 1 88 88 LEU C C 88 173.365 173.365 173.893 -0.528 18834 2015 1 4 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.744 -0.250 18834 2016 1 4 . 1 1 88 88 LEU CB C 88 45.187 45.187 45.384 -0.197 18834 2017 1 4 . 1 1 88 88 LEU H H 88 9.016 9.016 7.816 1.200 18834 2018 1 4 . 1 1 89 89 LEU N N 89 124.435 124.435 122.499 1.936 18834 2019 1 4 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.717 0.004 18834 2020 1 4 . 1 1 89 89 LEU C C 89 175.213 175.213 176.376 -1.163 18834 2021 1 4 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.328 -0.667 18834 2022 1 4 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.306 3.085 18834 2023 1 4 . 1 1 89 89 LEU H H 89 7.965 7.965 8.049 -0.084 18834 2024 1 4 . 1 1 90 90 LEU N N 90 127.444 127.444 121.224 6.220 18834 2025 1 4 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.187 0.096 18834 2026 1 4 . 1 1 90 90 LEU C C 90 173.560 173.560 175.881 -2.321 18834 2027 1 4 . 1 1 90 90 LEU CA C 90 54.088 54.088 51.950 2.138 18834 2028 1 4 . 1 1 90 90 LEU CB C 90 45.956 45.956 43.182 2.774 18834 2029 1 4 . 1 1 90 90 LEU H H 90 8.909 8.909 8.648 0.261 18834 2030 1 4 . 1 1 91 91 GLU N N 91 118.954 118.954 120.229 -1.275 18834 2031 1 4 . 1 1 91 91 GLU HA H 91 5.062 5.062 4.935 0.127 18834 2032 1 4 . 1 1 91 91 GLU C C 91 176.652 176.652 175.887 0.765 18834 2033 1 4 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.169 -0.382 18834 2034 1 4 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.364 0.482 18834 2035 1 4 . 1 1 91 91 GLU H H 91 8.813 8.813 8.739 0.074 18834 2036 1 4 . 1 1 92 92 LYS N N 92 129.055 129.055 126.688 2.367 18834 2037 1 4 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.454 -0.067 18834 2038 1 4 . 1 1 92 92 LYS C C 92 178.000 178.000 176.672 1.328 18834 2039 1 4 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.925 -0.663 18834 2040 1 4 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.390 -0.319 18834 2041 1 4 . 1 1 92 92 LYS H H 92 9.362 9.362 8.770 0.592 18834 2042 1 4 . 1 1 93 93 GLY N N 93 117.893 117.893 109.689 8.204 18834 2043 1 4 . 1 1 93 93 GLY C C 93 173.147 173.147 174.074 -0.927 18834 2044 1 4 . 1 1 93 93 GLY CA C 93 45.173 45.173 44.308 0.865 18834 2045 1 4 . 1 1 93 93 GLY H H 93 9.698 9.698 9.438 0.260 18834 2046 1 4 . 1 1 94 94 GLN N N 94 116.797 116.797 120.549 -3.752 18834 2047 1 4 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.181 0.081 18834 2048 1 4 . 1 1 94 94 GLN C C 94 175.942 175.942 175.195 0.747 18834 2049 1 4 . 1 1 94 94 GLN CA C 94 55.514 55.514 56.487 -0.973 18834 2050 1 4 . 1 1 94 94 GLN CB C 94 29.688 29.688 29.047 0.641 18834 2051 1 4 . 1 1 94 94 GLN H H 94 8.252 8.252 7.757 0.495 18834 2052 1 4 . 1 1 95 95 SER N N 95 118.117 118.117 119.777 -1.660 18834 2053 1 4 . 1 1 95 95 SER HA H 95 4.658 4.658 4.785 -0.127 18834 2054 1 4 . 1 1 95 95 SER CA C 95 56.588 56.588 55.301 1.287 18834 2055 1 4 . 1 1 95 95 SER CB C 95 63.194 63.194 64.026 -0.832 18834 2056 1 4 . 1 1 95 95 SER H H 95 8.377 8.377 8.407 -0.030 18834 2057 1 4 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.743 -0.266 18834 2058 1 4 . 1 1 96 96 PRO C C 96 176.291 176.291 176.493 -0.202 18834 2059 1 4 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.945 0.566 18834 2060 1 4 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.222 -0.270 18834 2061 1 5 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.608 -0.134 18834 2062 1 5 . 1 1 2 2 PRO C C 2 175.857 175.857 176.258 -0.401 18834 2063 1 5 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.173 0.670 18834 2064 1 5 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.897 -0.629 18834 2065 1 5 . 1 1 3 3 LYS N N 3 124.698 124.698 120.903 3.795 18834 2066 1 5 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.697 -0.107 18834 2067 1 5 . 1 1 3 3 LYS CA C 3 53.618 53.618 54.493 -0.875 18834 2068 1 5 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.339 -0.783 18834 2069 1 5 . 1 1 3 3 LYS H H 3 8.952 8.952 8.408 0.544 18834 2070 1 5 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.136 -0.192 18834 2071 1 5 . 1 1 4 4 PRO C C 4 177.504 177.504 177.644 -0.140 18834 2072 1 5 . 1 1 4 4 PRO CA C 4 64.544 64.544 63.893 0.651 18834 2073 1 5 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.462 0.308 18834 2074 1 5 . 1 1 5 5 GLY N N 5 113.728 113.728 114.456 -0.728 18834 2075 1 5 . 1 1 5 5 GLY C C 5 174.146 174.146 174.099 0.047 18834 2076 1 5 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.937 0.096 18834 2077 1 5 . 1 1 5 5 GLY H H 5 9.011 9.011 8.710 0.301 18834 2078 1 5 . 1 1 6 6 ASP N N 6 121.776 121.776 120.295 1.481 18834 2079 1 5 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.951 -0.281 18834 2080 1 5 . 1 1 6 6 ASP C C 6 175.673 175.673 175.389 0.284 18834 2081 1 5 . 1 1 6 6 ASP CA C 6 54.918 54.918 51.976 2.942 18834 2082 1 5 . 1 1 6 6 ASP CB C 6 41.446 41.446 42.790 -1.344 18834 2083 1 5 . 1 1 6 6 ASP H H 6 8.468 8.468 7.954 0.514 18834 2084 1 5 . 1 1 7 7 ILE N N 7 121.570 121.570 120.843 0.727 18834 2085 1 5 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.809 0.522 18834 2086 1 5 . 1 1 7 7 ILE C C 7 176.824 176.824 175.611 1.213 18834 2087 1 5 . 1 1 7 7 ILE CA C 7 59.601 59.601 59.522 0.079 18834 2088 1 5 . 1 1 7 7 ILE CB C 7 38.254 38.254 38.270 -0.016 18834 2089 1 5 . 1 1 7 7 ILE H H 7 8.362 8.362 8.296 0.066 18834 2090 1 5 . 1 1 8 8 PHE N N 8 125.816 125.816 123.754 2.062 18834 2091 1 5 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.063 0.009 18834 2092 1 5 . 1 1 8 8 PHE C C 8 171.149 171.149 173.467 -2.318 18834 2093 1 5 . 1 1 8 8 PHE CA C 8 55.529 55.529 54.941 0.588 18834 2094 1 5 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.530 -0.218 18834 2095 1 5 . 1 1 8 8 PHE H H 8 9.476 9.476 8.702 0.774 18834 2096 1 5 . 1 1 9 9 GLU N N 9 118.961 118.961 120.343 -1.382 18834 2097 1 5 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.421 0.792 18834 2098 1 5 . 1 1 9 9 GLU C C 9 175.995 175.995 175.957 0.038 18834 2099 1 5 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.031 -1.042 18834 2100 1 5 . 1 1 9 9 GLU CB C 9 33.428 33.428 32.010 1.418 18834 2101 1 5 . 1 1 9 9 GLU H H 9 8.490 8.490 8.501 -0.011 18834 2102 1 5 . 1 1 10 10 VAL N N 10 119.964 119.964 117.813 2.151 18834 2103 1 5 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.507 -0.370 18834 2104 1 5 . 1 1 10 10 VAL C C 10 173.221 173.221 173.288 -0.067 18834 2105 1 5 . 1 1 10 10 VAL CA C 10 61.091 61.091 60.271 0.820 18834 2106 1 5 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.875 0.891 18834 2107 1 5 . 1 1 10 10 VAL H H 10 8.577 8.577 7.735 0.842 18834 2108 1 5 . 1 1 11 11 GLU N N 11 126.219 126.219 122.505 3.714 18834 2109 1 5 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.432 -0.477 18834 2110 1 5 . 1 1 11 11 GLU C C 11 174.538 174.538 175.082 -0.544 18834 2111 1 5 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.222 0.640 18834 2112 1 5 . 1 1 11 11 GLU CB C 11 30.836 30.836 31.810 -0.974 18834 2113 1 5 . 1 1 11 11 GLU H H 11 7.794 7.794 8.269 -0.475 18834 2114 1 5 . 1 1 12 12 LEU N N 12 126.212 126.212 125.808 0.404 18834 2115 1 5 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.768 -0.122 18834 2116 1 5 . 1 1 12 12 LEU C C 12 173.916 173.916 174.844 -0.928 18834 2117 1 5 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.614 -0.477 18834 2118 1 5 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.720 -0.594 18834 2119 1 5 . 1 1 12 12 LEU H H 12 8.848 8.848 9.089 -0.241 18834 2120 1 5 . 1 1 13 13 ALA N N 13 126.357 126.357 126.389 -0.032 18834 2121 1 5 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.460 0.635 18834 2122 1 5 . 1 1 13 13 ALA C C 13 177.352 177.352 176.820 0.532 18834 2123 1 5 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.791 -1.871 18834 2124 1 5 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.742 -0.365 18834 2125 1 5 . 1 1 13 13 ALA H H 13 8.494 8.494 8.583 -0.089 18834 2126 1 5 . 1 1 14 14 LYS N N 14 120.000 120.000 121.973 -1.973 18834 2127 1 5 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.095 -0.343 18834 2128 1 5 . 1 1 14 14 LYS C C 14 176.313 176.313 176.130 0.183 18834 2129 1 5 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.619 0.143 18834 2130 1 5 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.072 1.397 18834 2131 1 5 . 1 1 14 14 LYS H H 14 8.496 8.496 8.162 0.334 18834 2132 1 5 . 1 1 15 15 ASN N N 15 117.473 117.473 116.462 1.011 18834 2133 1 5 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.504 0.413 18834 2134 1 5 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.283 -0.796 18834 2135 1 5 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.752 1.932 18834 2136 1 5 . 1 1 15 15 ASN H H 15 8.079 8.079 8.269 -0.190 18834 2137 1 5 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.290 -0.031 18834 2138 1 5 . 1 1 16 16 ASP C C 16 175.515 175.515 175.980 -0.465 18834 2139 1 5 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.415 0.105 18834 2140 1 5 . 1 1 16 16 ASP CB C 16 39.303 39.303 39.521 -0.218 18834 2141 1 5 . 1 1 17 17 ASN N N 17 110.160 110.160 111.678 -1.518 18834 2142 1 5 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.258 -0.026 18834 2143 1 5 . 1 1 17 17 ASN C C 17 174.550 174.550 174.559 -0.009 18834 2144 1 5 . 1 1 17 17 ASN CA C 17 54.349 54.349 55.002 -0.653 18834 2145 1 5 . 1 1 17 17 ASN CB C 17 38.455 38.455 37.588 0.867 18834 2146 1 5 . 1 1 17 17 ASN H H 17 8.959 8.959 8.754 0.205 18834 2147 1 5 . 1 1 18 18 SER N N 18 112.013 112.013 114.806 -2.793 18834 2148 1 5 . 1 1 18 18 SER HA H 18 4.976 4.976 4.559 0.417 18834 2149 1 5 . 1 1 18 18 SER CA C 18 56.519 56.519 58.241 -1.722 18834 2150 1 5 . 1 1 18 18 SER CB C 18 65.053 65.053 64.280 0.773 18834 2151 1 5 . 1 1 18 18 SER H H 18 7.892 7.892 7.359 0.533 18834 2152 1 5 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.761 -0.505 18834 2153 1 5 . 1 1 19 19 LEU C C 19 176.996 176.996 176.055 0.941 18834 2154 1 5 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.640 1.305 18834 2155 1 5 . 1 1 19 19 LEU CB C 19 43.178 43.178 43.647 -0.469 18834 2156 1 5 . 1 1 20 20 GLY N N 20 105.651 105.651 106.024 -0.373 18834 2157 1 5 . 1 1 20 20 GLY C C 20 176.218 176.218 173.146 3.072 18834 2158 1 5 . 1 1 20 20 GLY CA C 20 46.868 46.868 44.960 1.908 18834 2159 1 5 . 1 1 20 20 GLY H H 20 8.804 8.804 8.205 0.599 18834 2160 1 5 . 1 1 21 21 ILE N N 21 115.348 115.348 119.862 -4.514 18834 2161 1 5 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.347 0.495 18834 2162 1 5 . 1 1 21 21 ILE C C 21 175.987 175.987 175.789 0.198 18834 2163 1 5 . 1 1 21 21 ILE CA C 21 59.795 59.795 59.348 0.447 18834 2164 1 5 . 1 1 21 21 ILE CB C 21 42.334 42.334 38.477 3.857 18834 2165 1 5 . 1 1 21 21 ILE H H 21 7.775 7.775 7.686 0.089 18834 2166 1 5 . 1 1 22 22 CYS N N 22 123.503 123.503 119.415 4.088 18834 2167 1 5 . 1 1 22 22 CYS C C 22 176.187 176.187 174.040 2.147 18834 2168 1 5 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.334 -4.555 18834 2169 1 5 . 1 1 22 22 CYS CB C 22 36.527 36.527 31.523 5.004 18834 2170 1 5 . 1 1 22 22 CYS H H 22 8.533 8.533 8.385 0.148 18834 2171 1 5 . 1 1 23 23 VAL N N 23 114.882 114.882 115.348 -0.466 18834 2172 1 5 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.301 0.147 18834 2173 1 5 . 1 1 23 23 VAL C C 23 174.219 174.219 174.189 0.030 18834 2174 1 5 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.521 -1.099 18834 2175 1 5 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.654 -0.560 18834 2176 1 5 . 1 1 23 23 VAL H H 23 7.720 7.720 8.405 -0.685 18834 2177 1 5 . 1 1 24 24 THR N N 24 115.462 115.462 114.634 0.828 18834 2178 1 5 . 1 1 24 24 THR HA H 24 4.691 4.691 4.634 0.057 18834 2179 1 5 . 1 1 24 24 THR C C 24 171.649 171.649 173.664 -2.015 18834 2180 1 5 . 1 1 24 24 THR CA C 24 59.560 59.560 60.181 -0.621 18834 2181 1 5 . 1 1 24 24 THR CB C 24 70.573 70.573 69.625 0.948 18834 2182 1 5 . 1 1 24 24 THR H H 24 9.175 9.175 8.279 0.896 18834 2183 1 5 . 1 1 25 25 GLY N N 25 111.734 111.734 110.218 1.516 18834 2184 1 5 . 1 1 25 25 GLY C C 25 174.216 174.216 174.353 -0.137 18834 2185 1 5 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.848 -0.184 18834 2186 1 5 . 1 1 25 25 GLY H H 25 8.323 8.323 8.506 -0.183 18834 2187 1 5 . 1 1 26 26 GLY N N 26 107.524 107.524 110.426 -2.902 18834 2188 1 5 . 1 1 26 26 GLY C C 26 176.306 176.306 175.108 1.198 18834 2189 1 5 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.747 -1.977 18834 2190 1 5 . 1 1 26 26 GLY H H 26 7.541 7.541 8.350 -0.809 18834 2191 1 5 . 1 1 27 27 VAL N N 27 116.903 116.903 122.686 -5.783 18834 2192 1 5 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.139 -0.011 18834 2193 1 5 . 1 1 27 27 VAL C C 27 175.716 175.716 176.744 -1.028 18834 2194 1 5 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.878 1.016 18834 2195 1 5 . 1 1 27 27 VAL CB C 27 31.963 31.963 30.953 1.010 18834 2196 1 5 . 1 1 27 27 VAL H H 27 8.055 8.055 7.896 0.159 18834 2197 1 5 . 1 1 28 28 ASN N N 28 117.840 117.840 112.701 5.139 18834 2198 1 5 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.389 0.414 18834 2199 1 5 . 1 1 28 28 ASN C C 28 174.846 174.846 175.018 -0.172 18834 2200 1 5 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.214 -0.734 18834 2201 1 5 . 1 1 28 28 ASN CB C 28 37.754 37.754 36.539 1.215 18834 2202 1 5 . 1 1 28 28 ASN H H 28 8.779 8.779 8.434 0.345 18834 2203 1 5 . 1 1 29 29 THR N N 29 111.408 111.408 113.123 -1.715 18834 2204 1 5 . 1 1 29 29 THR HA H 29 4.690 4.690 4.223 0.467 18834 2205 1 5 . 1 1 29 29 THR CA C 29 61.624 61.624 62.215 -0.591 18834 2206 1 5 . 1 1 29 29 THR CB C 29 70.939 70.939 69.484 1.455 18834 2207 1 5 . 1 1 29 29 THR H H 29 7.857 7.857 7.837 0.020 18834 2208 1 5 . 1 1 30 30 SER N N 30 113.816 113.816 115.791 -1.975 18834 2209 1 5 . 1 1 30 30 SER HA H 30 4.537 4.537 4.105 0.432 18834 2210 1 5 . 1 1 30 30 SER C C 30 174.867 174.867 174.539 0.328 18834 2211 1 5 . 1 1 30 30 SER CA C 30 58.369 58.369 60.232 -1.863 18834 2212 1 5 . 1 1 30 30 SER CB C 30 63.547 63.547 63.046 0.501 18834 2213 1 5 . 1 1 30 30 SER H H 30 8.438 8.438 8.391 0.047 18834 2214 1 5 . 1 1 31 31 VAL N N 31 118.013 118.013 115.401 2.612 18834 2215 1 5 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.919 0.179 18834 2216 1 5 . 1 1 31 31 VAL C C 31 176.528 176.528 176.526 0.002 18834 2217 1 5 . 1 1 31 31 VAL CA C 31 62.070 62.070 61.382 0.688 18834 2218 1 5 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.019 0.488 18834 2219 1 5 . 1 1 31 31 VAL H H 31 7.567 7.567 7.294 0.273 18834 2220 1 5 . 1 1 32 32 ARG N N 32 124.719 124.719 126.248 -1.529 18834 2221 1 5 . 1 1 32 32 ARG HA H 32 4.007 4.007 4.098 -0.091 18834 2222 1 5 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.983 -0.974 18834 2223 1 5 . 1 1 32 32 ARG CB C 32 29.571 29.571 30.353 -0.782 18834 2224 1 5 . 1 1 32 32 ARG H H 32 8.501 8.501 8.682 -0.181 18834 2225 1 5 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.521 0.056 18834 2226 1 5 . 1 1 33 33 HIS C C 33 175.064 175.064 175.545 -0.481 18834 2227 1 5 . 1 1 33 33 HIS CA C 33 56.814 56.814 55.443 1.371 18834 2228 1 5 . 1 1 33 33 HIS CB C 33 29.091 29.091 29.902 -0.811 18834 2229 1 5 . 1 1 34 34 GLY N N 34 109.357 109.357 108.879 0.478 18834 2230 1 5 . 1 1 34 34 GLY C C 34 174.616 174.616 172.985 1.631 18834 2231 1 5 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.832 0.762 18834 2232 1 5 . 1 1 34 34 GLY H H 34 8.469 8.469 7.600 0.869 18834 2233 1 5 . 1 1 35 35 GLY N N 35 104.989 104.989 106.007 -1.018 18834 2234 1 5 . 1 1 35 35 GLY C C 35 170.518 170.518 173.116 -2.598 18834 2235 1 5 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.367 1.274 18834 2236 1 5 . 1 1 35 35 GLY H H 35 7.787 7.787 7.652 0.135 18834 2237 1 5 . 1 1 36 36 ILE N N 36 119.808 119.808 121.012 -1.204 18834 2238 1 5 . 1 1 36 36 ILE HA H 36 4.746 4.746 5.079 -0.333 18834 2239 1 5 . 1 1 36 36 ILE C C 36 174.616 174.616 175.190 -0.574 18834 2240 1 5 . 1 1 36 36 ILE CA C 36 56.955 56.955 59.360 -2.405 18834 2241 1 5 . 1 1 36 36 ILE CB C 36 35.618 35.618 38.371 -2.753 18834 2242 1 5 . 1 1 36 36 ILE H H 36 8.362 8.362 7.846 0.516 18834 2243 1 5 . 1 1 37 37 TYR N N 37 123.168 123.168 126.715 -3.547 18834 2244 1 5 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.959 0.309 18834 2245 1 5 . 1 1 37 37 TYR C C 37 176.069 176.069 175.798 0.271 18834 2246 1 5 . 1 1 37 37 TYR CA C 37 55.959 55.959 55.935 0.023 18834 2247 1 5 . 1 1 37 37 TYR CB C 37 42.436 42.436 41.034 1.402 18834 2248 1 5 . 1 1 37 37 TYR H H 37 8.904 8.904 9.252 -0.348 18834 2249 1 5 . 1 1 38 38 VAL N N 38 120.273 120.273 121.893 -1.620 18834 2250 1 5 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.240 -0.441 18834 2251 1 5 . 1 1 38 38 VAL C C 38 175.886 175.886 176.596 -0.710 18834 2252 1 5 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.773 1.311 18834 2253 1 5 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.850 0.594 18834 2254 1 5 . 1 1 38 38 VAL H H 38 9.230 9.230 8.986 0.244 18834 2255 1 5 . 1 1 39 39 LYS N N 39 133.619 133.619 130.418 3.201 18834 2256 1 5 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.148 0.241 18834 2257 1 5 . 1 1 39 39 LYS C C 39 174.763 174.763 175.775 -1.012 18834 2258 1 5 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.803 -1.267 18834 2259 1 5 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.193 1.346 18834 2260 1 5 . 1 1 39 39 LYS H H 39 9.584 9.584 8.490 1.094 18834 2261 1 5 . 1 1 40 40 ALA N N 40 117.459 117.459 117.936 -0.477 18834 2262 1 5 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.478 0.026 18834 2263 1 5 . 1 1 40 40 ALA C C 40 174.686 174.686 174.476 0.210 18834 2264 1 5 . 1 1 40 40 ALA CA C 40 51.897 51.897 52.021 -0.124 18834 2265 1 5 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.574 0.671 18834 2266 1 5 . 1 1 40 40 ALA H H 40 7.584 7.584 7.306 0.278 18834 2267 1 5 . 1 1 41 41 VAL N N 41 120.599 120.599 118.920 1.679 18834 2268 1 5 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.401 -0.022 18834 2269 1 5 . 1 1 41 41 VAL C C 41 175.714 175.714 175.790 -0.076 18834 2270 1 5 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.065 0.084 18834 2271 1 5 . 1 1 41 41 VAL CB C 41 32.506 32.506 35.675 -3.170 18834 2272 1 5 . 1 1 41 41 VAL H H 41 8.747 8.747 8.291 0.456 18834 2273 1 5 . 1 1 42 42 ILE N N 42 127.775 127.775 123.157 4.618 18834 2274 1 5 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.594 -0.467 18834 2275 1 5 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.744 1.082 18834 2276 1 5 . 1 1 42 42 ILE CB C 42 38.216 38.216 36.978 1.238 18834 2277 1 5 . 1 1 42 42 ILE H H 42 7.827 7.827 8.313 -0.486 18834 2278 1 5 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.434 0.041 18834 2279 1 5 . 1 1 43 43 PRO C C 43 177.234 177.234 176.758 0.476 18834 2280 1 5 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.419 1.758 18834 2281 1 5 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.648 -0.846 18834 2282 1 5 . 1 1 44 44 GLN N N 44 116.932 116.932 113.683 3.249 18834 2283 1 5 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.975 -0.127 18834 2284 1 5 . 1 1 44 44 GLN C C 44 175.628 175.628 175.508 0.120 18834 2285 1 5 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.310 0.831 18834 2286 1 5 . 1 1 44 44 GLN CB C 44 26.441 26.441 28.395 -1.954 18834 2287 1 5 . 1 1 44 44 GLN H H 44 9.388 9.388 8.590 0.798 18834 2288 1 5 . 1 1 45 45 GLY N N 45 106.131 106.131 104.969 1.162 18834 2289 1 5 . 1 1 45 45 GLY C C 45 174.404 174.404 173.487 0.917 18834 2290 1 5 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.837 0.821 18834 2291 1 5 . 1 1 45 45 GLY H H 45 7.875 7.875 7.297 0.578 18834 2292 1 5 . 1 1 46 46 ALA N N 46 121.011 121.011 123.013 -2.002 18834 2293 1 5 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.039 0.012 18834 2294 1 5 . 1 1 46 46 ALA C C 46 180.673 180.673 178.991 1.682 18834 2295 1 5 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.591 -0.546 18834 2296 1 5 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.542 -0.034 18834 2297 1 5 . 1 1 46 46 ALA H H 46 9.017 9.017 8.941 0.076 18834 2298 1 5 . 1 1 47 47 ALA N N 47 118.848 118.848 121.389 -2.541 18834 2299 1 5 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.922 0.146 18834 2300 1 5 . 1 1 47 47 ALA C C 47 180.699 180.699 179.774 0.925 18834 2301 1 5 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.195 -0.278 18834 2302 1 5 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.948 0.682 18834 2303 1 5 . 1 1 47 47 ALA H H 47 7.754 7.754 8.218 -0.464 18834 2304 1 5 . 1 1 48 48 GLU N N 48 124.400 124.400 119.267 5.133 18834 2305 1 5 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.070 -0.247 18834 2306 1 5 . 1 1 48 48 GLU C C 48 178.174 178.174 179.006 -0.832 18834 2307 1 5 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.535 1.374 18834 2308 1 5 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.260 0.499 18834 2309 1 5 . 1 1 48 48 GLU H H 48 9.317 9.317 8.573 0.744 18834 2310 1 5 . 1 1 49 49 SER N N 49 113.388 113.388 114.190 -0.802 18834 2311 1 5 . 1 1 49 49 SER HA H 49 4.100 4.100 4.209 -0.109 18834 2312 1 5 . 1 1 49 49 SER C C 49 175.693 175.693 176.552 -0.859 18834 2313 1 5 . 1 1 49 49 SER CA C 49 61.233 61.233 60.793 0.440 18834 2314 1 5 . 1 1 49 49 SER CB C 49 62.780 62.780 63.318 -0.538 18834 2315 1 5 . 1 1 49 49 SER H H 49 8.115 8.115 8.408 -0.293 18834 2316 1 5 . 1 1 50 50 ASP N N 50 120.047 120.047 119.821 0.226 18834 2317 1 5 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.560 -0.182 18834 2318 1 5 . 1 1 50 50 ASP C C 50 177.650 177.650 176.956 0.694 18834 2319 1 5 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.416 2.799 18834 2320 1 5 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.738 2.503 18834 2321 1 5 . 1 1 50 50 ASP H H 50 7.609 7.609 8.245 -0.636 18834 2322 1 5 . 1 1 51 51 GLY N N 51 102.979 102.979 106.429 -3.450 18834 2323 1 5 . 1 1 51 51 GLY C C 51 174.977 174.977 175.610 -0.633 18834 2324 1 5 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.611 0.742 18834 2325 1 5 . 1 1 51 51 GLY H H 51 7.372 7.372 7.848 -0.476 18834 2326 1 5 . 1 1 52 52 ARG N N 52 117.579 117.579 118.253 -0.674 18834 2327 1 5 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.596 -0.282 18834 2328 1 5 . 1 1 52 52 ARG C C 52 175.886 175.886 175.875 0.011 18834 2329 1 5 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.871 2.023 18834 2330 1 5 . 1 1 52 52 ARG CB C 52 33.246 33.246 31.156 2.090 18834 2331 1 5 . 1 1 52 52 ARG H H 52 7.966 7.966 8.149 -0.183 18834 2332 1 5 . 1 1 53 53 ILE N N 53 120.155 120.155 117.316 2.839 18834 2333 1 5 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.295 -0.059 18834 2334 1 5 . 1 1 53 53 ILE C C 53 173.773 173.773 173.536 0.237 18834 2335 1 5 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.077 1.328 18834 2336 1 5 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.316 -1.675 18834 2337 1 5 . 1 1 53 53 ILE H H 53 8.225 8.225 7.301 0.924 18834 2338 1 5 . 1 1 54 54 HIS N N 54 123.751 123.751 120.895 2.856 18834 2339 1 5 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.992 -0.202 18834 2340 1 5 . 1 1 54 54 HIS C C 54 173.696 173.696 173.926 -0.230 18834 2341 1 5 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.587 0.257 18834 2342 1 5 . 1 1 54 54 HIS CB C 54 33.566 33.566 32.037 1.529 18834 2343 1 5 . 1 1 54 54 HIS H H 54 9.061 9.061 7.906 1.155 18834 2344 1 5 . 1 1 55 55 LYS N N 55 120.590 120.590 121.697 -1.107 18834 2345 1 5 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.280 -0.654 18834 2346 1 5 . 1 1 55 55 LYS C C 55 176.916 176.916 177.797 -0.881 18834 2347 1 5 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.564 0.740 18834 2348 1 5 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.462 -0.040 18834 2349 1 5 . 1 1 55 55 LYS H H 55 8.670 8.670 8.820 -0.150 18834 2350 1 5 . 1 1 56 56 GLY N N 56 114.645 114.645 112.228 2.417 18834 2351 1 5 . 1 1 56 56 GLY C C 56 174.438 174.438 174.884 -0.446 18834 2352 1 5 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.968 -0.206 18834 2353 1 5 . 1 1 56 56 GLY H H 56 9.201 9.201 8.953 0.248 18834 2354 1 5 . 1 1 57 57 ASP N N 57 121.982 121.982 124.051 -2.069 18834 2355 1 5 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.573 0.314 18834 2356 1 5 . 1 1 57 57 ASP C C 57 174.623 174.623 175.029 -0.406 18834 2357 1 5 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.459 0.377 18834 2358 1 5 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.198 -0.115 18834 2359 1 5 . 1 1 57 57 ASP H H 57 8.058 8.058 7.548 0.510 18834 2360 1 5 . 1 1 58 58 ARG N N 58 123.240 123.240 118.998 4.242 18834 2361 1 5 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.692 -0.077 18834 2362 1 5 . 1 1 58 58 ARG C C 58 175.573 175.573 175.541 0.032 18834 2363 1 5 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.903 -0.382 18834 2364 1 5 . 1 1 58 58 ARG CB C 58 33.701 33.701 32.451 1.250 18834 2365 1 5 . 1 1 58 58 ARG H H 58 9.078 9.078 8.438 0.640 18834 2366 1 5 . 1 1 59 59 VAL N N 59 126.202 126.202 123.120 3.082 18834 2367 1 5 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.269 -0.406 18834 2368 1 5 . 1 1 59 59 VAL C C 59 174.458 174.458 175.393 -0.935 18834 2369 1 5 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.640 -0.437 18834 2370 1 5 . 1 1 59 59 VAL CB C 59 30.998 30.998 31.753 -0.756 18834 2371 1 5 . 1 1 59 59 VAL H H 59 8.897 8.897 8.839 0.058 18834 2372 1 5 . 1 1 60 60 LEU N N 60 127.163 127.163 128.141 -0.978 18834 2373 1 5 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.374 -0.078 18834 2374 1 5 . 1 1 60 60 LEU C C 60 178.289 178.289 176.323 1.966 18834 2375 1 5 . 1 1 60 60 LEU CA C 60 56.054 56.054 55.993 0.061 18834 2376 1 5 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.950 -0.338 18834 2377 1 5 . 1 1 60 60 LEU H H 60 9.213 9.213 8.195 1.018 18834 2378 1 5 . 1 1 61 61 ALA N N 61 118.886 118.886 117.876 1.010 18834 2379 1 5 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.155 -0.201 18834 2380 1 5 . 1 1 61 61 ALA C C 61 175.288 175.288 175.267 0.021 18834 2381 1 5 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.490 1.789 18834 2382 1 5 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.235 -0.139 18834 2383 1 5 . 1 1 61 61 ALA H H 61 7.741 7.741 7.354 0.387 18834 2384 1 5 . 1 1 62 62 VAL N N 62 119.929 119.929 120.590 -0.661 18834 2385 1 5 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.292 0.158 18834 2386 1 5 . 1 1 62 62 VAL C C 62 175.323 175.323 176.164 -0.841 18834 2387 1 5 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.942 -0.524 18834 2388 1 5 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.978 0.072 18834 2389 1 5 . 1 1 62 62 VAL H H 62 8.256 8.256 8.286 -0.030 18834 2390 1 5 . 1 1 63 63 ASN N N 63 128.933 128.933 127.255 1.678 18834 2391 1 5 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.379 0.166 18834 2392 1 5 . 1 1 63 63 ASN C C 63 175.197 175.197 175.336 -0.139 18834 2393 1 5 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.313 -0.145 18834 2394 1 5 . 1 1 63 63 ASN CB C 63 36.896 36.896 38.027 -1.131 18834 2395 1 5 . 1 1 63 63 ASN H H 63 10.392 10.392 9.276 1.116 18834 2396 1 5 . 1 1 64 64 GLY N N 64 103.413 103.413 102.132 1.281 18834 2397 1 5 . 1 1 64 64 GLY C C 64 173.872 173.872 174.404 -0.532 18834 2398 1 5 . 1 1 64 64 GLY CA C 64 45.171 45.171 45.158 0.013 18834 2399 1 5 . 1 1 64 64 GLY H H 64 9.085 9.085 8.582 0.503 18834 2400 1 5 . 1 1 65 65 VAL N N 65 123.643 123.643 123.540 0.103 18834 2401 1 5 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.081 -0.133 18834 2402 1 5 . 1 1 65 65 VAL C C 65 175.645 175.645 175.600 0.045 18834 2403 1 5 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.815 0.321 18834 2404 1 5 . 1 1 65 65 VAL CB C 65 31.640 31.640 32.065 -0.425 18834 2405 1 5 . 1 1 65 65 VAL H H 65 8.028 8.028 7.842 0.186 18834 2406 1 5 . 1 1 66 66 SER N N 66 120.923 120.923 124.180 -3.257 18834 2407 1 5 . 1 1 66 66 SER HA H 66 4.334 4.334 4.203 0.131 18834 2408 1 5 . 1 1 66 66 SER C C 66 176.388 176.388 173.862 2.526 18834 2409 1 5 . 1 1 66 66 SER CA C 66 58.342 58.342 59.832 -1.490 18834 2410 1 5 . 1 1 66 66 SER CB C 66 63.562 63.562 63.319 0.243 18834 2411 1 5 . 1 1 66 66 SER H H 66 8.647 8.647 8.762 -0.115 18834 2412 1 5 . 1 1 67 67 LEU N N 67 125.116 125.116 126.634 -1.518 18834 2413 1 5 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.635 -0.197 18834 2414 1 5 . 1 1 67 67 LEU C C 67 176.462 176.462 176.260 0.202 18834 2415 1 5 . 1 1 67 67 LEU CA C 67 53.732 53.732 53.937 -0.205 18834 2416 1 5 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.778 -1.888 18834 2417 1 5 . 1 1 67 67 LEU H H 67 8.292 8.292 8.932 -0.640 18834 2418 1 5 . 1 1 68 68 GLU N N 68 123.552 123.552 119.918 3.634 18834 2419 1 5 . 1 1 68 68 GLU HA H 68 4.035 4.035 3.958 0.077 18834 2420 1 5 . 1 1 68 68 GLU C C 68 177.767 177.767 176.934 0.833 18834 2421 1 5 . 1 1 68 68 GLU CA C 68 58.571 58.571 58.116 0.455 18834 2422 1 5 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.038 0.014 18834 2423 1 5 . 1 1 68 68 GLU H H 68 8.305 8.305 7.639 0.666 18834 2424 1 5 . 1 1 69 69 GLY N N 69 115.496 115.496 112.444 3.052 18834 2425 1 5 . 1 1 69 69 GLY C C 69 173.618 173.618 174.199 -0.581 18834 2426 1 5 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.916 0.480 18834 2427 1 5 . 1 1 69 69 GLY H H 69 8.977 8.977 8.442 0.535 18834 2428 1 5 . 1 1 70 70 ALA N N 70 121.999 121.999 124.763 -2.764 18834 2429 1 5 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.814 -0.312 18834 2430 1 5 . 1 1 70 70 ALA C C 70 179.820 179.820 176.914 2.906 18834 2431 1 5 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.188 1.226 18834 2432 1 5 . 1 1 70 70 ALA CB C 70 19.638 19.638 20.244 -0.606 18834 2433 1 5 . 1 1 70 70 ALA H H 70 7.807 7.807 7.928 -0.121 18834 2434 1 5 . 1 1 71 71 THR N N 71 111.294 111.294 113.212 -1.918 18834 2435 1 5 . 1 1 71 71 THR HA H 71 4.515 4.515 4.421 0.094 18834 2436 1 5 . 1 1 71 71 THR C C 71 174.717 174.717 176.307 -1.590 18834 2437 1 5 . 1 1 71 71 THR CA C 71 60.692 60.692 60.501 0.191 18834 2438 1 5 . 1 1 71 71 THR CB C 71 71.274 71.274 70.583 0.691 18834 2439 1 5 . 1 1 71 71 THR H H 71 8.222 8.222 8.261 -0.039 18834 2440 1 5 . 1 1 72 72 HIS N N 72 121.871 121.871 118.781 3.090 18834 2441 1 5 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.238 -0.378 18834 2442 1 5 . 1 1 72 72 HIS C C 72 176.702 176.702 177.168 -0.466 18834 2443 1 5 . 1 1 72 72 HIS CA C 72 61.983 61.983 59.731 2.252 18834 2444 1 5 . 1 1 72 72 HIS CB C 72 30.047 30.047 29.218 0.829 18834 2445 1 5 . 1 1 72 72 HIS H H 72 9.217 9.217 8.669 0.548 18834 2446 1 5 . 1 1 73 73 LYS N N 73 116.941 116.941 120.800 -3.859 18834 2447 1 5 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.967 -0.143 18834 2448 1 5 . 1 1 73 73 LYS C C 73 178.288 178.288 178.960 -0.672 18834 2449 1 5 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.695 -0.345 18834 2450 1 5 . 1 1 73 73 LYS CB C 73 32.811 32.811 32.059 0.752 18834 2451 1 5 . 1 1 73 73 LYS H H 73 8.429 8.429 7.985 0.444 18834 2452 1 5 . 1 1 74 74 GLN N N 74 116.915 116.915 118.246 -1.331 18834 2453 1 5 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.913 -0.044 18834 2454 1 5 . 1 1 74 74 GLN C C 74 179.732 179.732 178.596 1.136 18834 2455 1 5 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.798 -0.199 18834 2456 1 5 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.466 -0.115 18834 2457 1 5 . 1 1 74 74 GLN H H 74 7.660 7.660 7.727 -0.067 18834 2458 1 5 . 1 1 75 75 ALA N N 75 122.673 122.673 122.971 -0.298 18834 2459 1 5 . 1 1 75 75 ALA HA H 75 3.788 3.788 4.004 -0.216 18834 2460 1 5 . 1 1 75 75 ALA C C 75 179.078 179.078 179.720 -0.642 18834 2461 1 5 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.314 0.252 18834 2462 1 5 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.237 0.614 18834 2463 1 5 . 1 1 75 75 ALA H H 75 8.379 8.379 8.083 0.296 18834 2464 1 5 . 1 1 76 76 VAL N N 76 112.831 112.831 118.078 -5.247 18834 2465 1 5 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.726 -0.221 18834 2466 1 5 . 1 1 76 76 VAL CA C 76 65.895 65.895 66.668 -0.773 18834 2467 1 5 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.372 -0.681 18834 2468 1 5 . 1 1 76 76 VAL H H 76 8.239 8.239 7.891 0.348 18834 2469 1 5 . 1 1 77 77 CYS C C 77 177.150 177.150 177.614 -0.464 18834 2470 1 5 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.882 -3.491 18834 2471 1 5 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.546 10.236 18834 2472 1 5 . 1 1 78 78 THR N N 78 117.507 117.507 116.497 1.010 18834 2473 1 5 . 1 1 78 78 THR HA H 78 3.858 3.858 4.060 -0.202 18834 2474 1 5 . 1 1 78 78 THR C C 78 176.460 176.460 175.604 0.856 18834 2475 1 5 . 1 1 78 78 THR CA C 78 67.123 67.123 66.081 1.042 18834 2476 1 5 . 1 1 78 78 THR CB C 78 68.123 68.123 68.847 -0.723 18834 2477 1 5 . 1 1 78 78 THR H H 78 8.015 8.015 8.337 -0.322 18834 2478 1 5 . 1 1 79 79 LEU N N 79 119.666 119.666 121.392 -1.726 18834 2479 1 5 . 1 1 79 79 LEU HA H 79 3.750 3.750 4.081 -0.331 18834 2480 1 5 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.379 0.811 18834 2481 1 5 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.915 0.157 18834 2482 1 5 . 1 1 79 79 LEU H H 79 7.984 7.984 8.007 -0.023 18834 2483 1 5 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.023 0.174 18834 2484 1 5 . 1 1 80 80 ARG C C 80 177.750 177.750 178.373 -0.623 18834 2485 1 5 . 1 1 80 80 ARG CA C 80 58.307 58.307 59.591 -1.284 18834 2486 1 5 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.367 -0.275 18834 2487 1 5 . 1 1 81 81 ASN N N 81 119.843 119.843 118.687 1.156 18834 2488 1 5 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.663 0.321 18834 2489 1 5 . 1 1 81 81 ASN C C 81 174.819 174.819 174.835 -0.016 18834 2490 1 5 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.123 -0.010 18834 2491 1 5 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.235 0.433 18834 2492 1 5 . 1 1 81 81 ASN H H 81 7.648 7.648 7.883 -0.235 18834 2493 1 5 . 1 1 82 82 THR N N 82 109.907 109.907 113.834 -3.927 18834 2494 1 5 . 1 1 82 82 THR HA H 82 4.447 4.447 4.702 -0.255 18834 2495 1 5 . 1 1 82 82 THR C C 82 175.114 175.114 174.628 0.486 18834 2496 1 5 . 1 1 82 82 THR CA C 82 59.944 59.944 60.606 -0.662 18834 2497 1 5 . 1 1 82 82 THR CB C 82 72.611 72.611 71.333 1.278 18834 2498 1 5 . 1 1 82 82 THR H H 82 7.668 7.668 7.849 -0.181 18834 2499 1 5 . 1 1 83 83 GLY N N 83 109.505 109.505 107.491 2.014 18834 2500 1 5 . 1 1 83 83 GLY C C 83 173.467 173.467 175.011 -1.544 18834 2501 1 5 . 1 1 83 83 GLY CA C 83 44.092 44.092 43.961 0.131 18834 2502 1 5 . 1 1 83 83 GLY H H 83 8.421 8.421 8.430 -0.009 18834 2503 1 5 . 1 1 84 84 GLN N N 84 117.276 117.276 119.001 -1.725 18834 2504 1 5 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.083 -0.120 18834 2505 1 5 . 1 1 84 84 GLN C C 84 175.254 175.254 176.372 -1.118 18834 2506 1 5 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.365 0.077 18834 2507 1 5 . 1 1 84 84 GLN CB C 84 28.973 28.973 28.924 0.049 18834 2508 1 5 . 1 1 84 84 GLN H H 84 8.224 8.224 8.570 -0.346 18834 2509 1 5 . 1 1 85 85 VAL N N 85 116.186 116.186 116.903 -0.717 18834 2510 1 5 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.194 0.460 18834 2511 1 5 . 1 1 85 85 VAL C C 85 175.879 175.879 175.225 0.654 18834 2512 1 5 . 1 1 85 85 VAL CA C 85 61.298 61.298 62.175 -0.877 18834 2513 1 5 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.174 -0.044 18834 2514 1 5 . 1 1 85 85 VAL H H 85 7.699 7.699 7.696 0.003 18834 2515 1 5 . 1 1 86 86 VAL N N 86 128.499 128.499 124.935 3.564 18834 2516 1 5 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.380 0.067 18834 2517 1 5 . 1 1 86 86 VAL C C 86 173.365 173.365 174.475 -1.110 18834 2518 1 5 . 1 1 86 86 VAL CA C 86 60.965 60.965 60.973 -0.008 18834 2519 1 5 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.355 1.631 18834 2520 1 5 . 1 1 86 86 VAL H H 86 9.043 9.043 9.048 -0.005 18834 2521 1 5 . 1 1 87 87 HIS N N 87 126.357 126.357 127.581 -1.224 18834 2522 1 5 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.372 -0.376 18834 2523 1 5 . 1 1 87 87 HIS C C 87 174.387 174.387 173.808 0.579 18834 2524 1 5 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.580 1.222 18834 2525 1 5 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.426 -0.247 18834 2526 1 5 . 1 1 87 87 HIS H H 87 8.855 8.855 8.785 0.070 18834 2527 1 5 . 1 1 88 88 LEU N N 88 126.780 126.780 123.176 3.604 18834 2528 1 5 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.903 0.057 18834 2529 1 5 . 1 1 88 88 LEU C C 88 173.365 173.365 173.846 -0.481 18834 2530 1 5 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.726 -0.232 18834 2531 1 5 . 1 1 88 88 LEU CB C 88 45.187 45.187 44.952 0.235 18834 2532 1 5 . 1 1 88 88 LEU H H 88 9.016 9.016 7.861 1.155 18834 2533 1 5 . 1 1 89 89 LEU N N 89 124.435 124.435 122.486 1.949 18834 2534 1 5 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.597 0.124 18834 2535 1 5 . 1 1 89 89 LEU C C 89 175.213 175.213 176.305 -1.092 18834 2536 1 5 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.355 -0.694 18834 2537 1 5 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.127 3.264 18834 2538 1 5 . 1 1 89 89 LEU H H 89 7.965 7.965 7.975 -0.010 18834 2539 1 5 . 1 1 90 90 LEU N N 90 127.444 127.444 121.466 5.978 18834 2540 1 5 . 1 1 90 90 LEU HA H 90 5.283 5.283 4.992 0.291 18834 2541 1 5 . 1 1 90 90 LEU C C 90 173.560 173.560 175.763 -2.203 18834 2542 1 5 . 1 1 90 90 LEU CA C 90 54.088 54.088 51.988 2.100 18834 2543 1 5 . 1 1 90 90 LEU CB C 90 45.956 45.956 42.876 3.080 18834 2544 1 5 . 1 1 90 90 LEU H H 90 8.909 8.909 8.693 0.216 18834 2545 1 5 . 1 1 91 91 GLU N N 91 118.954 118.954 120.668 -1.714 18834 2546 1 5 . 1 1 91 91 GLU HA H 91 5.062 5.062 4.973 0.089 18834 2547 1 5 . 1 1 91 91 GLU C C 91 176.652 176.652 175.175 1.477 18834 2548 1 5 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.039 -0.252 18834 2549 1 5 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.384 0.462 18834 2550 1 5 . 1 1 91 91 GLU H H 91 8.813 8.813 8.894 -0.081 18834 2551 1 5 . 1 1 92 92 LYS N N 92 129.055 129.055 128.386 0.669 18834 2552 1 5 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.565 -0.178 18834 2553 1 5 . 1 1 92 92 LYS C C 92 178.000 178.000 176.012 1.988 18834 2554 1 5 . 1 1 92 92 LYS CA C 92 56.262 56.262 57.314 -1.052 18834 2555 1 5 . 1 1 92 92 LYS CB C 92 32.071 32.071 33.447 -1.376 18834 2556 1 5 . 1 1 92 92 LYS H H 92 9.362 9.362 8.605 0.757 18834 2557 1 5 . 1 1 93 93 GLY N N 93 117.893 117.893 113.656 4.237 18834 2558 1 5 . 1 1 93 93 GLY C C 93 173.147 173.147 174.573 -1.426 18834 2559 1 5 . 1 1 93 93 GLY CA C 93 45.173 45.173 44.195 0.978 18834 2560 1 5 . 1 1 93 93 GLY H H 93 9.698 9.698 9.394 0.304 18834 2561 1 5 . 1 1 94 94 GLN N N 94 116.797 116.797 119.004 -2.207 18834 2562 1 5 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.220 0.042 18834 2563 1 5 . 1 1 94 94 GLN C C 94 175.942 175.942 176.591 -0.649 18834 2564 1 5 . 1 1 94 94 GLN CA C 94 55.514 55.514 56.937 -1.423 18834 2565 1 5 . 1 1 94 94 GLN CB C 94 29.688 29.688 28.731 0.957 18834 2566 1 5 . 1 1 94 94 GLN H H 94 8.252 8.252 8.740 -0.488 18834 2567 1 5 . 1 1 95 95 SER N N 95 118.117 118.117 117.711 0.406 18834 2568 1 5 . 1 1 95 95 SER HA H 95 4.658 4.658 4.570 0.088 18834 2569 1 5 . 1 1 95 95 SER CA C 95 56.588 56.588 57.151 -0.563 18834 2570 1 5 . 1 1 95 95 SER CB C 95 63.194 63.194 63.180 0.014 18834 2571 1 5 . 1 1 95 95 SER H H 95 8.377 8.377 8.043 0.334 18834 2572 1 5 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.471 0.006 18834 2573 1 5 . 1 1 96 96 PRO C C 96 176.291 176.291 176.157 0.134 18834 2574 1 5 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.646 0.865 18834 2575 1 5 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.314 -0.361 18834 2576 1 6 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.550 -0.076 18834 2577 1 6 . 1 1 2 2 PRO C C 2 175.857 175.857 175.968 -0.111 18834 2578 1 6 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.491 0.352 18834 2579 1 6 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.856 -0.588 18834 2580 1 6 . 1 1 3 3 LYS N N 3 124.698 124.698 119.139 5.559 18834 2581 1 6 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.617 -0.027 18834 2582 1 6 . 1 1 3 3 LYS CA C 3 53.618 53.618 54.029 -0.411 18834 2583 1 6 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.646 -1.090 18834 2584 1 6 . 1 1 3 3 LYS H H 3 8.952 8.952 8.239 0.713 18834 2585 1 6 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.136 -0.192 18834 2586 1 6 . 1 1 4 4 PRO C C 4 177.504 177.504 177.401 0.103 18834 2587 1 6 . 1 1 4 4 PRO CA C 4 64.544 64.544 63.950 0.594 18834 2588 1 6 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.608 0.162 18834 2589 1 6 . 1 1 5 5 GLY N N 5 113.728 113.728 112.864 0.864 18834 2590 1 6 . 1 1 5 5 GLY C C 5 174.146 174.146 174.162 -0.016 18834 2591 1 6 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.859 0.174 18834 2592 1 6 . 1 1 5 5 GLY H H 5 9.011 9.011 8.238 0.773 18834 2593 1 6 . 1 1 6 6 ASP N N 6 121.776 121.776 121.784 -0.008 18834 2594 1 6 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.752 -0.082 18834 2595 1 6 . 1 1 6 6 ASP C C 6 175.673 175.673 175.680 -0.007 18834 2596 1 6 . 1 1 6 6 ASP CA C 6 54.918 54.918 53.913 1.005 18834 2597 1 6 . 1 1 6 6 ASP CB C 6 41.446 41.446 41.943 -0.497 18834 2598 1 6 . 1 1 6 6 ASP H H 6 8.468 8.468 7.856 0.612 18834 2599 1 6 . 1 1 7 7 ILE N N 7 121.570 121.570 123.398 -1.828 18834 2600 1 6 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.858 0.473 18834 2601 1 6 . 1 1 7 7 ILE C C 7 176.824 176.824 176.070 0.754 18834 2602 1 6 . 1 1 7 7 ILE CA C 7 59.601 59.601 59.536 0.065 18834 2603 1 6 . 1 1 7 7 ILE CB C 7 38.254 38.254 37.807 0.447 18834 2604 1 6 . 1 1 7 7 ILE H H 7 8.362 8.362 8.326 0.036 18834 2605 1 6 . 1 1 8 8 PHE N N 8 125.816 125.816 125.234 0.582 18834 2606 1 6 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.054 0.018 18834 2607 1 6 . 1 1 8 8 PHE C C 8 171.149 171.149 173.389 -2.240 18834 2608 1 6 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.461 0.068 18834 2609 1 6 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.297 0.015 18834 2610 1 6 . 1 1 8 8 PHE H H 8 9.476 9.476 8.727 0.749 18834 2611 1 6 . 1 1 9 9 GLU N N 9 118.961 118.961 120.721 -1.760 18834 2612 1 6 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.321 0.892 18834 2613 1 6 . 1 1 9 9 GLU C C 9 175.995 175.995 175.823 0.172 18834 2614 1 6 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.165 -1.176 18834 2615 1 6 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.973 1.455 18834 2616 1 6 . 1 1 9 9 GLU H H 9 8.490 8.490 8.490 -0.000 18834 2617 1 6 . 1 1 10 10 VAL N N 10 119.964 119.964 118.117 1.847 18834 2618 1 6 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.627 -0.490 18834 2619 1 6 . 1 1 10 10 VAL C C 10 173.221 173.221 173.999 -0.778 18834 2620 1 6 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.964 1.127 18834 2621 1 6 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.812 0.954 18834 2622 1 6 . 1 1 10 10 VAL H H 10 8.577 8.577 8.046 0.531 18834 2623 1 6 . 1 1 11 11 GLU N N 11 126.219 126.219 122.330 3.889 18834 2624 1 6 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.309 -0.354 18834 2625 1 6 . 1 1 11 11 GLU C C 11 174.538 174.538 175.627 -1.089 18834 2626 1 6 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.767 0.096 18834 2627 1 6 . 1 1 11 11 GLU CB C 11 30.836 30.836 31.167 -0.331 18834 2628 1 6 . 1 1 11 11 GLU H H 11 7.794 7.794 8.393 -0.599 18834 2629 1 6 . 1 1 12 12 LEU N N 12 126.212 126.212 125.444 0.768 18834 2630 1 6 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.700 -0.054 18834 2631 1 6 . 1 1 12 12 LEU C C 12 173.916 173.916 175.497 -1.581 18834 2632 1 6 . 1 1 12 12 LEU CA C 12 53.137 53.137 54.040 -0.903 18834 2633 1 6 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.736 -0.610 18834 2634 1 6 . 1 1 12 12 LEU H H 12 8.848 8.848 8.845 0.003 18834 2635 1 6 . 1 1 13 13 ALA N N 13 126.357 126.357 125.812 0.545 18834 2636 1 6 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.411 0.684 18834 2637 1 6 . 1 1 13 13 ALA C C 13 177.352 177.352 177.651 -0.299 18834 2638 1 6 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.348 -1.428 18834 2639 1 6 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.360 0.017 18834 2640 1 6 . 1 1 13 13 ALA H H 13 8.494 8.494 8.494 -0.000 18834 2641 1 6 . 1 1 14 14 LYS N N 14 120.000 120.000 122.872 -2.872 18834 2642 1 6 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.083 -0.331 18834 2643 1 6 . 1 1 14 14 LYS C C 14 176.313 176.313 176.096 0.217 18834 2644 1 6 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.210 0.552 18834 2645 1 6 . 1 1 14 14 LYS CB C 14 34.469 34.469 32.930 1.539 18834 2646 1 6 . 1 1 14 14 LYS H H 14 8.496 8.496 8.133 0.363 18834 2647 1 6 . 1 1 15 15 ASN N N 15 117.473 117.473 116.659 0.814 18834 2648 1 6 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.465 0.452 18834 2649 1 6 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.457 -0.970 18834 2650 1 6 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.372 2.312 18834 2651 1 6 . 1 1 15 15 ASN H H 15 8.079 8.079 8.391 -0.312 18834 2652 1 6 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.338 -0.079 18834 2653 1 6 . 1 1 16 16 ASP C C 16 175.515 175.515 176.171 -0.656 18834 2654 1 6 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.257 0.263 18834 2655 1 6 . 1 1 16 16 ASP CB C 16 39.303 39.303 40.421 -1.118 18834 2656 1 6 . 1 1 17 17 ASN N N 17 110.160 110.160 112.599 -2.439 18834 2657 1 6 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.188 0.044 18834 2658 1 6 . 1 1 17 17 ASN C C 17 174.550 174.550 173.995 0.555 18834 2659 1 6 . 1 1 17 17 ASN CA C 17 54.349 54.349 55.142 -0.793 18834 2660 1 6 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.419 0.036 18834 2661 1 6 . 1 1 17 17 ASN H H 17 8.959 8.959 8.726 0.233 18834 2662 1 6 . 1 1 18 18 SER N N 18 112.013 112.013 114.482 -2.469 18834 2663 1 6 . 1 1 18 18 SER HA H 18 4.976 4.976 4.573 0.403 18834 2664 1 6 . 1 1 18 18 SER CA C 18 56.519 56.519 57.992 -1.473 18834 2665 1 6 . 1 1 18 18 SER CB C 18 65.053 65.053 63.844 1.208 18834 2666 1 6 . 1 1 18 18 SER H H 18 7.892 7.892 7.358 0.534 18834 2667 1 6 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.552 -0.296 18834 2668 1 6 . 1 1 19 19 LEU C C 19 176.996 176.996 175.889 1.107 18834 2669 1 6 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.442 1.503 18834 2670 1 6 . 1 1 19 19 LEU CB C 19 43.178 43.178 45.710 -2.532 18834 2671 1 6 . 1 1 20 20 GLY N N 20 105.651 105.651 113.087 -7.436 18834 2672 1 6 . 1 1 20 20 GLY C C 20 176.218 176.218 173.326 2.892 18834 2673 1 6 . 1 1 20 20 GLY CA C 20 46.868 46.868 45.056 1.812 18834 2674 1 6 . 1 1 20 20 GLY H H 20 8.804 8.804 8.262 0.542 18834 2675 1 6 . 1 1 21 21 ILE N N 21 115.348 115.348 120.005 -4.657 18834 2676 1 6 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.913 -0.071 18834 2677 1 6 . 1 1 21 21 ILE C C 21 175.987 175.987 175.644 0.343 18834 2678 1 6 . 1 1 21 21 ILE CA C 21 59.795 59.795 58.663 1.132 18834 2679 1 6 . 1 1 21 21 ILE CB C 21 42.334 42.334 38.948 3.386 18834 2680 1 6 . 1 1 21 21 ILE H H 21 7.775 7.775 7.641 0.134 18834 2681 1 6 . 1 1 22 22 CYS N N 22 123.503 123.503 120.815 2.688 18834 2682 1 6 . 1 1 22 22 CYS C C 22 176.187 176.187 173.768 2.419 18834 2683 1 6 . 1 1 22 22 CYS CA C 22 53.779 53.779 57.600 -3.821 18834 2684 1 6 . 1 1 22 22 CYS CB C 22 36.527 36.527 29.537 6.990 18834 2685 1 6 . 1 1 22 22 CYS H H 22 8.533 8.533 8.565 -0.032 18834 2686 1 6 . 1 1 23 23 VAL N N 23 114.882 114.882 119.862 -4.980 18834 2687 1 6 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.317 0.131 18834 2688 1 6 . 1 1 23 23 VAL C C 23 174.219 174.219 173.818 0.401 18834 2689 1 6 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.346 -0.924 18834 2690 1 6 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.675 -0.581 18834 2691 1 6 . 1 1 23 23 VAL H H 23 7.720 7.720 8.410 -0.690 18834 2692 1 6 . 1 1 24 24 THR N N 24 115.462 115.462 113.552 1.910 18834 2693 1 6 . 1 1 24 24 THR HA H 24 4.691 4.691 4.406 0.285 18834 2694 1 6 . 1 1 24 24 THR C C 24 171.649 171.649 173.206 -1.557 18834 2695 1 6 . 1 1 24 24 THR CA C 24 59.560 59.560 60.459 -0.899 18834 2696 1 6 . 1 1 24 24 THR CB C 24 70.573 70.573 70.111 0.462 18834 2697 1 6 . 1 1 24 24 THR H H 24 9.175 9.175 8.320 0.855 18834 2698 1 6 . 1 1 25 25 GLY N N 25 111.734 111.734 111.038 0.696 18834 2699 1 6 . 1 1 25 25 GLY C C 25 174.216 174.216 173.769 0.447 18834 2700 1 6 . 1 1 25 25 GLY CA C 25 44.664 44.664 45.181 -0.517 18834 2701 1 6 . 1 1 25 25 GLY H H 25 8.323 8.323 8.467 -0.144 18834 2702 1 6 . 1 1 26 26 GLY N N 26 107.524 107.524 107.770 -0.246 18834 2703 1 6 . 1 1 26 26 GLY C C 26 176.306 176.306 174.975 1.331 18834 2704 1 6 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.619 -1.849 18834 2705 1 6 . 1 1 26 26 GLY H H 26 7.541 7.541 8.002 -0.461 18834 2706 1 6 . 1 1 27 27 VAL N N 27 116.903 116.903 123.103 -6.200 18834 2707 1 6 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.011 0.117 18834 2708 1 6 . 1 1 27 27 VAL C C 27 175.716 175.716 176.685 -0.969 18834 2709 1 6 . 1 1 27 27 VAL CA C 27 63.894 63.894 63.316 0.578 18834 2710 1 6 . 1 1 27 27 VAL CB C 27 31.963 31.963 30.949 1.014 18834 2711 1 6 . 1 1 27 27 VAL H H 27 8.055 8.055 7.996 0.059 18834 2712 1 6 . 1 1 28 28 ASN N N 28 117.840 117.840 113.117 4.723 18834 2713 1 6 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.495 0.308 18834 2714 1 6 . 1 1 28 28 ASN C C 28 174.846 174.846 174.993 -0.147 18834 2715 1 6 . 1 1 28 28 ASN CA C 28 53.480 53.480 53.989 -0.509 18834 2716 1 6 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.713 0.041 18834 2717 1 6 . 1 1 28 28 ASN H H 28 8.779 8.779 8.427 0.352 18834 2718 1 6 . 1 1 29 29 THR N N 29 111.408 111.408 111.710 -0.302 18834 2719 1 6 . 1 1 29 29 THR HA H 29 4.690 4.690 4.210 0.480 18834 2720 1 6 . 1 1 29 29 THR CA C 29 61.624 61.624 62.367 -0.744 18834 2721 1 6 . 1 1 29 29 THR CB C 29 70.939 70.939 69.046 1.893 18834 2722 1 6 . 1 1 29 29 THR H H 29 7.857 7.857 7.526 0.331 18834 2723 1 6 . 1 1 30 30 SER N N 30 113.816 113.816 114.326 -0.510 18834 2724 1 6 . 1 1 30 30 SER HA H 30 4.537 4.537 4.069 0.468 18834 2725 1 6 . 1 1 30 30 SER C C 30 174.867 174.867 174.935 -0.068 18834 2726 1 6 . 1 1 30 30 SER CA C 30 58.369 58.369 60.230 -1.861 18834 2727 1 6 . 1 1 30 30 SER CB C 30 63.547 63.547 62.614 0.933 18834 2728 1 6 . 1 1 30 30 SER H H 30 8.438 8.438 8.545 -0.107 18834 2729 1 6 . 1 1 31 31 VAL N N 31 118.013 118.013 116.464 1.549 18834 2730 1 6 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.748 0.350 18834 2731 1 6 . 1 1 31 31 VAL C C 31 176.528 176.528 176.598 -0.070 18834 2732 1 6 . 1 1 31 31 VAL CA C 31 62.070 62.070 62.093 -0.023 18834 2733 1 6 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.421 0.086 18834 2734 1 6 . 1 1 31 31 VAL H H 31 7.567 7.567 7.431 0.136 18834 2735 1 6 . 1 1 32 32 ARG N N 32 124.719 124.719 126.386 -1.667 18834 2736 1 6 . 1 1 32 32 ARG HA H 32 4.007 4.007 4.026 -0.019 18834 2737 1 6 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.487 -0.478 18834 2738 1 6 . 1 1 32 32 ARG CB C 32 29.571 29.571 29.921 -0.350 18834 2739 1 6 . 1 1 32 32 ARG H H 32 8.501 8.501 8.502 -0.001 18834 2740 1 6 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.665 -0.088 18834 2741 1 6 . 1 1 33 33 HIS C C 33 175.064 175.064 175.216 -0.152 18834 2742 1 6 . 1 1 33 33 HIS CA C 33 56.814 56.814 55.033 1.781 18834 2743 1 6 . 1 1 33 33 HIS CB C 33 29.091 29.091 29.586 -0.495 18834 2744 1 6 . 1 1 34 34 GLY N N 34 109.357 109.357 108.246 1.111 18834 2745 1 6 . 1 1 34 34 GLY C C 34 174.616 174.616 173.591 1.025 18834 2746 1 6 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.968 0.626 18834 2747 1 6 . 1 1 34 34 GLY H H 34 8.469 8.469 7.996 0.473 18834 2748 1 6 . 1 1 35 35 GLY N N 35 104.989 104.989 105.939 -0.950 18834 2749 1 6 . 1 1 35 35 GLY C C 35 170.518 170.518 173.126 -2.608 18834 2750 1 6 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.635 1.006 18834 2751 1 6 . 1 1 35 35 GLY H H 35 7.787 7.787 7.762 0.025 18834 2752 1 6 . 1 1 36 36 ILE N N 36 119.808 119.808 121.236 -1.428 18834 2753 1 6 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.928 -0.182 18834 2754 1 6 . 1 1 36 36 ILE C C 36 174.616 174.616 175.127 -0.511 18834 2755 1 6 . 1 1 36 36 ILE CA C 36 56.955 56.955 59.882 -2.927 18834 2756 1 6 . 1 1 36 36 ILE CB C 36 35.618 35.618 37.722 -2.104 18834 2757 1 6 . 1 1 36 36 ILE H H 36 8.362 8.362 8.192 0.170 18834 2758 1 6 . 1 1 37 37 TYR N N 37 123.168 123.168 127.460 -4.292 18834 2759 1 6 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.840 0.428 18834 2760 1 6 . 1 1 37 37 TYR C C 37 176.069 176.069 175.559 0.510 18834 2761 1 6 . 1 1 37 37 TYR CA C 37 55.959 55.959 56.188 -0.229 18834 2762 1 6 . 1 1 37 37 TYR CB C 37 42.436 42.436 41.364 1.072 18834 2763 1 6 . 1 1 37 37 TYR H H 37 8.904 8.904 9.375 -0.471 18834 2764 1 6 . 1 1 38 38 VAL N N 38 120.273 120.273 121.623 -1.350 18834 2765 1 6 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.283 -0.484 18834 2766 1 6 . 1 1 38 38 VAL C C 38 175.886 175.886 176.650 -0.764 18834 2767 1 6 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.702 1.382 18834 2768 1 6 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.988 0.456 18834 2769 1 6 . 1 1 38 38 VAL H H 38 9.230 9.230 8.958 0.272 18834 2770 1 6 . 1 1 39 39 LYS N N 39 133.619 133.619 129.108 4.511 18834 2771 1 6 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.129 0.260 18834 2772 1 6 . 1 1 39 39 LYS C C 39 174.763 174.763 175.511 -0.748 18834 2773 1 6 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.911 -1.375 18834 2774 1 6 . 1 1 39 39 LYS CB C 39 34.539 34.539 32.982 1.557 18834 2775 1 6 . 1 1 39 39 LYS H H 39 9.584 9.584 8.256 1.328 18834 2776 1 6 . 1 1 40 40 ALA N N 40 117.459 117.459 117.887 -0.428 18834 2777 1 6 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.502 0.002 18834 2778 1 6 . 1 1 40 40 ALA C C 40 174.686 174.686 174.359 0.327 18834 2779 1 6 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.607 0.290 18834 2780 1 6 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.378 0.868 18834 2781 1 6 . 1 1 40 40 ALA H H 40 7.584 7.584 7.262 0.322 18834 2782 1 6 . 1 1 41 41 VAL N N 41 120.599 120.599 121.138 -0.539 18834 2783 1 6 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.322 0.057 18834 2784 1 6 . 1 1 41 41 VAL C C 41 175.714 175.714 175.415 0.299 18834 2785 1 6 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.137 0.012 18834 2786 1 6 . 1 1 41 41 VAL CB C 41 32.506 32.506 33.329 -0.823 18834 2787 1 6 . 1 1 41 41 VAL H H 41 8.747 8.747 8.250 0.497 18834 2788 1 6 . 1 1 42 42 ILE N N 42 127.775 127.775 125.961 1.814 18834 2789 1 6 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.555 -0.428 18834 2790 1 6 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.773 1.053 18834 2791 1 6 . 1 1 42 42 ILE CB C 42 38.216 38.216 38.140 0.076 18834 2792 1 6 . 1 1 42 42 ILE H H 42 7.827 7.827 8.340 -0.513 18834 2793 1 6 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.691 -0.216 18834 2794 1 6 . 1 1 43 43 PRO C C 43 177.234 177.234 176.536 0.698 18834 2795 1 6 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.699 1.478 18834 2796 1 6 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.658 -0.857 18834 2797 1 6 . 1 1 44 44 GLN N N 44 116.932 116.932 117.415 -0.483 18834 2798 1 6 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.918 -0.070 18834 2799 1 6 . 1 1 44 44 GLN C C 44 175.628 175.628 174.402 1.226 18834 2800 1 6 . 1 1 44 44 GLN CA C 44 58.141 58.141 56.466 1.675 18834 2801 1 6 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.672 -1.231 18834 2802 1 6 . 1 1 44 44 GLN H H 44 9.388 9.388 9.024 0.364 18834 2803 1 6 . 1 1 45 45 GLY N N 45 106.131 106.131 104.042 2.089 18834 2804 1 6 . 1 1 45 45 GLY C C 45 174.404 174.404 172.740 1.664 18834 2805 1 6 . 1 1 45 45 GLY CA C 45 44.658 44.658 45.131 -0.473 18834 2806 1 6 . 1 1 45 45 GLY H H 45 7.875 7.875 7.631 0.244 18834 2807 1 6 . 1 1 46 46 ALA N N 46 121.011 121.011 122.866 -1.855 18834 2808 1 6 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.152 -0.101 18834 2809 1 6 . 1 1 46 46 ALA C C 46 180.673 180.673 179.058 1.615 18834 2810 1 6 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.180 -0.135 18834 2811 1 6 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.755 -0.247 18834 2812 1 6 . 1 1 46 46 ALA H H 46 9.017 9.017 8.899 0.118 18834 2813 1 6 . 1 1 47 47 ALA N N 47 118.848 118.848 121.629 -2.781 18834 2814 1 6 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.901 0.167 18834 2815 1 6 . 1 1 47 47 ALA C C 47 180.699 180.699 179.590 1.109 18834 2816 1 6 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.143 -0.226 18834 2817 1 6 . 1 1 47 47 ALA CB C 47 18.630 18.630 18.003 0.627 18834 2818 1 6 . 1 1 47 47 ALA H H 47 7.754 7.754 8.191 -0.437 18834 2819 1 6 . 1 1 48 48 GLU N N 48 124.400 124.400 119.427 4.973 18834 2820 1 6 . 1 1 48 48 GLU HA H 48 3.823 3.823 3.975 -0.152 18834 2821 1 6 . 1 1 48 48 GLU C C 48 178.174 178.174 178.760 -0.586 18834 2822 1 6 . 1 1 48 48 GLU CA C 48 59.909 59.909 59.059 0.850 18834 2823 1 6 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.517 0.242 18834 2824 1 6 . 1 1 48 48 GLU H H 48 9.317 9.317 8.623 0.694 18834 2825 1 6 . 1 1 49 49 SER N N 49 113.388 113.388 114.017 -0.629 18834 2826 1 6 . 1 1 49 49 SER HA H 49 4.100 4.100 4.212 -0.112 18834 2827 1 6 . 1 1 49 49 SER C C 49 175.693 175.693 176.550 -0.857 18834 2828 1 6 . 1 1 49 49 SER CA C 49 61.233 61.233 60.661 0.572 18834 2829 1 6 . 1 1 49 49 SER CB C 49 62.780 62.780 63.199 -0.419 18834 2830 1 6 . 1 1 49 49 SER H H 49 8.115 8.115 7.948 0.167 18834 2831 1 6 . 1 1 50 50 ASP N N 50 120.047 120.047 120.044 0.003 18834 2832 1 6 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.542 -0.164 18834 2833 1 6 . 1 1 50 50 ASP C C 50 177.650 177.650 177.445 0.205 18834 2834 1 6 . 1 1 50 50 ASP CA C 50 57.214 57.214 55.249 1.965 18834 2835 1 6 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.999 2.242 18834 2836 1 6 . 1 1 50 50 ASP H H 50 7.609 7.609 8.100 -0.491 18834 2837 1 6 . 1 1 51 51 GLY N N 51 102.979 102.979 107.438 -4.459 18834 2838 1 6 . 1 1 51 51 GLY C C 51 174.977 174.977 174.695 0.282 18834 2839 1 6 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.425 0.927 18834 2840 1 6 . 1 1 51 51 GLY H H 51 7.372 7.372 8.074 -0.702 18834 2841 1 6 . 1 1 52 52 ARG N N 52 117.579 117.579 118.552 -0.973 18834 2842 1 6 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.397 -0.083 18834 2843 1 6 . 1 1 52 52 ARG C C 52 175.886 175.886 175.265 0.621 18834 2844 1 6 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.778 2.116 18834 2845 1 6 . 1 1 52 52 ARG CB C 52 33.246 33.246 31.062 2.184 18834 2846 1 6 . 1 1 52 52 ARG H H 52 7.966 7.966 8.012 -0.046 18834 2847 1 6 . 1 1 53 53 ILE N N 53 120.155 120.155 117.890 2.265 18834 2848 1 6 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.257 -0.021 18834 2849 1 6 . 1 1 53 53 ILE C C 53 173.773 173.773 173.690 0.083 18834 2850 1 6 . 1 1 53 53 ILE CA C 53 61.405 61.405 59.892 1.513 18834 2851 1 6 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.893 -2.252 18834 2852 1 6 . 1 1 53 53 ILE H H 53 8.225 8.225 7.252 0.973 18834 2853 1 6 . 1 1 54 54 HIS N N 54 123.751 123.751 122.863 0.888 18834 2854 1 6 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.885 -0.095 18834 2855 1 6 . 1 1 54 54 HIS C C 54 173.696 173.696 174.132 -0.436 18834 2856 1 6 . 1 1 54 54 HIS CA C 54 54.844 54.844 53.704 1.140 18834 2857 1 6 . 1 1 54 54 HIS CB C 54 33.566 33.566 33.871 -0.305 18834 2858 1 6 . 1 1 54 54 HIS H H 54 9.061 9.061 8.327 0.734 18834 2859 1 6 . 1 1 55 55 LYS N N 55 120.590 120.590 121.881 -1.291 18834 2860 1 6 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.055 -0.429 18834 2861 1 6 . 1 1 55 55 LYS C C 55 176.916 176.916 177.564 -0.648 18834 2862 1 6 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.747 0.557 18834 2863 1 6 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.864 -0.443 18834 2864 1 6 . 1 1 55 55 LYS H H 55 8.670 8.670 8.528 0.142 18834 2865 1 6 . 1 1 56 56 GLY N N 56 114.645 114.645 115.549 -0.904 18834 2866 1 6 . 1 1 56 56 GLY C C 56 174.438 174.438 174.938 -0.500 18834 2867 1 6 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.956 -0.194 18834 2868 1 6 . 1 1 56 56 GLY H H 56 9.201 9.201 8.896 0.305 18834 2869 1 6 . 1 1 57 57 ASP N N 57 121.982 121.982 124.226 -2.244 18834 2870 1 6 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.794 0.093 18834 2871 1 6 . 1 1 57 57 ASP C C 57 174.623 174.623 175.006 -0.383 18834 2872 1 6 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.154 0.682 18834 2873 1 6 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.585 -0.502 18834 2874 1 6 . 1 1 57 57 ASP H H 57 8.058 8.058 7.702 0.356 18834 2875 1 6 . 1 1 58 58 ARG N N 58 123.240 123.240 117.990 5.250 18834 2876 1 6 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.779 -0.164 18834 2877 1 6 . 1 1 58 58 ARG C C 58 175.573 175.573 174.810 0.763 18834 2878 1 6 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.079 0.442 18834 2879 1 6 . 1 1 58 58 ARG CB C 58 33.701 33.701 32.851 0.850 18834 2880 1 6 . 1 1 58 58 ARG H H 58 9.078 9.078 8.514 0.564 18834 2881 1 6 . 1 1 59 59 VAL N N 59 126.202 126.202 119.754 6.448 18834 2882 1 6 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.364 -0.501 18834 2883 1 6 . 1 1 59 59 VAL C C 59 174.458 174.458 175.654 -1.196 18834 2884 1 6 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.482 -0.279 18834 2885 1 6 . 1 1 59 59 VAL CB C 59 30.998 30.998 32.203 -1.205 18834 2886 1 6 . 1 1 59 59 VAL H H 59 8.897 8.897 8.676 0.221 18834 2887 1 6 . 1 1 60 60 LEU N N 60 127.163 127.163 126.985 0.178 18834 2888 1 6 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.479 -0.183 18834 2889 1 6 . 1 1 60 60 LEU C C 60 178.289 178.289 176.225 2.064 18834 2890 1 6 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.255 -0.201 18834 2891 1 6 . 1 1 60 60 LEU CB C 60 42.612 42.612 43.208 -0.596 18834 2892 1 6 . 1 1 60 60 LEU H H 60 9.213 9.213 8.500 0.713 18834 2893 1 6 . 1 1 61 61 ALA N N 61 118.886 118.886 117.302 1.584 18834 2894 1 6 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.122 -0.168 18834 2895 1 6 . 1 1 61 61 ALA C C 61 175.288 175.288 175.214 0.074 18834 2896 1 6 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.460 1.819 18834 2897 1 6 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.295 -0.199 18834 2898 1 6 . 1 1 61 61 ALA H H 61 7.741 7.741 7.288 0.453 18834 2899 1 6 . 1 1 62 62 VAL N N 62 119.929 119.929 119.794 0.135 18834 2900 1 6 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.231 0.219 18834 2901 1 6 . 1 1 62 62 VAL C C 62 175.323 175.323 176.046 -0.723 18834 2902 1 6 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.873 -0.455 18834 2903 1 6 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.650 0.400 18834 2904 1 6 . 1 1 62 62 VAL H H 62 8.256 8.256 8.362 -0.106 18834 2905 1 6 . 1 1 63 63 ASN N N 63 128.933 128.933 127.315 1.618 18834 2906 1 6 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.461 0.084 18834 2907 1 6 . 1 1 63 63 ASN C C 63 175.197 175.197 175.224 -0.027 18834 2908 1 6 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.349 -0.181 18834 2909 1 6 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.906 -1.010 18834 2910 1 6 . 1 1 63 63 ASN H H 63 10.392 10.392 9.225 1.167 18834 2911 1 6 . 1 1 64 64 GLY N N 64 103.413 103.413 102.245 1.168 18834 2912 1 6 . 1 1 64 64 GLY C C 64 173.872 173.872 174.340 -0.468 18834 2913 1 6 . 1 1 64 64 GLY CA C 64 45.171 45.171 44.996 0.175 18834 2914 1 6 . 1 1 64 64 GLY H H 64 9.085 9.085 8.477 0.608 18834 2915 1 6 . 1 1 65 65 VAL N N 65 123.643 123.643 124.078 -0.435 18834 2916 1 6 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.099 -0.151 18834 2917 1 6 . 1 1 65 65 VAL C C 65 175.645 175.645 175.594 0.051 18834 2918 1 6 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.694 0.442 18834 2919 1 6 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.889 -0.249 18834 2920 1 6 . 1 1 65 65 VAL H H 65 8.028 8.028 7.851 0.177 18834 2921 1 6 . 1 1 66 66 SER N N 66 120.923 120.923 124.440 -3.517 18834 2922 1 6 . 1 1 66 66 SER HA H 66 4.334 4.334 4.189 0.145 18834 2923 1 6 . 1 1 66 66 SER C C 66 176.388 176.388 173.931 2.457 18834 2924 1 6 . 1 1 66 66 SER CA C 66 58.342 58.342 59.822 -1.480 18834 2925 1 6 . 1 1 66 66 SER CB C 66 63.562 63.562 63.290 0.272 18834 2926 1 6 . 1 1 66 66 SER H H 66 8.647 8.647 8.721 -0.074 18834 2927 1 6 . 1 1 67 67 LEU N N 67 125.116 125.116 126.461 -1.345 18834 2928 1 6 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.622 -0.184 18834 2929 1 6 . 1 1 67 67 LEU C C 67 176.462 176.462 176.328 0.134 18834 2930 1 6 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.069 -0.337 18834 2931 1 6 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.725 -1.835 18834 2932 1 6 . 1 1 67 67 LEU H H 67 8.292 8.292 8.933 -0.641 18834 2933 1 6 . 1 1 68 68 GLU N N 68 123.552 123.552 119.465 4.087 18834 2934 1 6 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.028 0.007 18834 2935 1 6 . 1 1 68 68 GLU C C 68 177.767 177.767 176.967 0.800 18834 2936 1 6 . 1 1 68 68 GLU CA C 68 58.571 58.571 58.230 0.341 18834 2937 1 6 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.353 -0.301 18834 2938 1 6 . 1 1 68 68 GLU H H 68 8.305 8.305 7.676 0.629 18834 2939 1 6 . 1 1 69 69 GLY N N 69 115.496 115.496 112.827 2.669 18834 2940 1 6 . 1 1 69 69 GLY C C 69 173.618 173.618 174.241 -0.623 18834 2941 1 6 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.900 0.496 18834 2942 1 6 . 1 1 69 69 GLY H H 69 8.977 8.977 8.609 0.368 18834 2943 1 6 . 1 1 70 70 ALA N N 70 121.999 121.999 123.912 -1.913 18834 2944 1 6 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.600 -0.098 18834 2945 1 6 . 1 1 70 70 ALA C C 70 179.820 179.820 176.091 3.729 18834 2946 1 6 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.466 0.949 18834 2947 1 6 . 1 1 70 70 ALA CB C 70 19.638 19.638 19.690 -0.052 18834 2948 1 6 . 1 1 70 70 ALA H H 70 7.807 7.807 8.052 -0.245 18834 2949 1 6 . 1 1 71 71 THR N N 71 111.294 111.294 111.730 -0.436 18834 2950 1 6 . 1 1 71 71 THR HA H 71 4.515 4.515 4.279 0.236 18834 2951 1 6 . 1 1 71 71 THR C C 71 174.717 174.717 175.891 -1.174 18834 2952 1 6 . 1 1 71 71 THR CA C 71 60.692 60.692 60.152 0.540 18834 2953 1 6 . 1 1 71 71 THR CB C 71 71.274 71.274 70.376 0.898 18834 2954 1 6 . 1 1 71 71 THR H H 71 8.222 8.222 8.035 0.187 18834 2955 1 6 . 1 1 72 72 HIS N N 72 121.871 121.871 119.917 1.954 18834 2956 1 6 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.278 -0.418 18834 2957 1 6 . 1 1 72 72 HIS C C 72 176.702 176.702 177.613 -0.911 18834 2958 1 6 . 1 1 72 72 HIS CA C 72 61.983 61.983 59.719 2.264 18834 2959 1 6 . 1 1 72 72 HIS CB C 72 30.047 30.047 29.143 0.904 18834 2960 1 6 . 1 1 72 72 HIS H H 72 9.217 9.217 8.249 0.968 18834 2961 1 6 . 1 1 73 73 LYS N N 73 116.941 116.941 119.864 -2.923 18834 2962 1 6 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.986 -0.162 18834 2963 1 6 . 1 1 73 73 LYS C C 73 178.288 178.288 178.953 -0.665 18834 2964 1 6 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.260 0.090 18834 2965 1 6 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.683 1.128 18834 2966 1 6 . 1 1 73 73 LYS H H 73 8.429 8.429 8.117 0.312 18834 2967 1 6 . 1 1 74 74 GLN N N 74 116.915 116.915 119.067 -2.152 18834 2968 1 6 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.974 -0.105 18834 2969 1 6 . 1 1 74 74 GLN C C 74 179.732 179.732 178.769 0.963 18834 2970 1 6 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.551 0.048 18834 2971 1 6 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.008 0.343 18834 2972 1 6 . 1 1 74 74 GLN H H 74 7.660 7.660 7.566 0.094 18834 2973 1 6 . 1 1 75 75 ALA N N 75 122.673 122.673 122.732 -0.059 18834 2974 1 6 . 1 1 75 75 ALA HA H 75 3.788 3.788 4.006 -0.218 18834 2975 1 6 . 1 1 75 75 ALA C C 75 179.078 179.078 179.916 -0.838 18834 2976 1 6 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.272 0.294 18834 2977 1 6 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.259 0.592 18834 2978 1 6 . 1 1 75 75 ALA H H 75 8.379 8.379 8.313 0.066 18834 2979 1 6 . 1 1 76 76 VAL N N 76 112.831 112.831 117.842 -5.011 18834 2980 1 6 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.740 -0.235 18834 2981 1 6 . 1 1 76 76 VAL CA C 76 65.895 65.895 66.928 -1.033 18834 2982 1 6 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.624 -0.933 18834 2983 1 6 . 1 1 76 76 VAL H H 76 8.239 8.239 7.760 0.479 18834 2984 1 6 . 1 1 77 77 CYS C C 77 177.150 177.150 176.981 0.169 18834 2985 1 6 . 1 1 77 77 CYS CA C 77 60.391 60.391 62.094 -1.703 18834 2986 1 6 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.092 10.690 18834 2987 1 6 . 1 1 78 78 THR N N 78 117.507 117.507 117.573 -0.066 18834 2988 1 6 . 1 1 78 78 THR HA H 78 3.858 3.858 3.896 -0.038 18834 2989 1 6 . 1 1 78 78 THR C C 78 176.460 176.460 176.310 0.150 18834 2990 1 6 . 1 1 78 78 THR CA C 78 67.123 67.123 67.001 0.121 18834 2991 1 6 . 1 1 78 78 THR CB C 78 68.123 68.123 68.693 -0.570 18834 2992 1 6 . 1 1 78 78 THR H H 78 8.015 8.015 8.356 -0.341 18834 2993 1 6 . 1 1 79 79 LEU N N 79 119.666 119.666 120.486 -0.820 18834 2994 1 6 . 1 1 79 79 LEU HA H 79 3.750 3.750 4.058 -0.308 18834 2995 1 6 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.571 0.619 18834 2996 1 6 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.655 0.417 18834 2997 1 6 . 1 1 79 79 LEU H H 79 7.984 7.984 7.692 0.292 18834 2998 1 6 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.021 0.176 18834 2999 1 6 . 1 1 80 80 ARG C C 80 177.750 177.750 177.956 -0.206 18834 3000 1 6 . 1 1 80 80 ARG CA C 80 58.307 58.307 59.314 -1.007 18834 3001 1 6 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.730 -0.638 18834 3002 1 6 . 1 1 81 81 ASN N N 81 119.843 119.843 115.848 3.995 18834 3003 1 6 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.577 0.407 18834 3004 1 6 . 1 1 81 81 ASN C C 81 174.819 174.819 175.970 -1.151 18834 3005 1 6 . 1 1 81 81 ASN CA C 81 53.113 53.113 54.124 -1.011 18834 3006 1 6 . 1 1 81 81 ASN CB C 81 37.668 37.668 38.046 -0.378 18834 3007 1 6 . 1 1 81 81 ASN H H 81 7.648 7.648 8.436 -0.788 18834 3008 1 6 . 1 1 82 82 THR N N 82 109.907 109.907 111.170 -1.263 18834 3009 1 6 . 1 1 82 82 THR HA H 82 4.447 4.447 4.514 -0.067 18834 3010 1 6 . 1 1 82 82 THR C C 82 175.114 175.114 175.061 0.053 18834 3011 1 6 . 1 1 82 82 THR CA C 82 59.944 59.944 62.028 -2.083 18834 3012 1 6 . 1 1 82 82 THR CB C 82 72.611 72.611 70.062 2.549 18834 3013 1 6 . 1 1 82 82 THR H H 82 7.668 7.668 7.283 0.385 18834 3014 1 6 . 1 1 83 83 GLY N N 83 109.505 109.505 106.841 2.664 18834 3015 1 6 . 1 1 83 83 GLY C C 83 173.467 173.467 174.731 -1.264 18834 3016 1 6 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.352 -0.260 18834 3017 1 6 . 1 1 83 83 GLY H H 83 8.421 8.421 8.531 -0.110 18834 3018 1 6 . 1 1 84 84 GLN N N 84 117.276 117.276 119.226 -1.950 18834 3019 1 6 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.118 -0.155 18834 3020 1 6 . 1 1 84 84 GLN C C 84 175.254 175.254 176.267 -1.013 18834 3021 1 6 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.523 -0.080 18834 3022 1 6 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.160 -0.187 18834 3023 1 6 . 1 1 84 84 GLN H H 84 8.224 8.224 8.519 -0.295 18834 3024 1 6 . 1 1 85 85 VAL N N 85 116.186 116.186 117.113 -0.927 18834 3025 1 6 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.387 0.267 18834 3026 1 6 . 1 1 85 85 VAL C C 85 175.879 175.879 175.208 0.671 18834 3027 1 6 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.790 -0.492 18834 3028 1 6 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.407 -0.277 18834 3029 1 6 . 1 1 85 85 VAL H H 85 7.699 7.699 7.742 -0.043 18834 3030 1 6 . 1 1 86 86 VAL N N 86 128.499 128.499 124.473 4.026 18834 3031 1 6 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.406 0.041 18834 3032 1 6 . 1 1 86 86 VAL C C 86 173.365 173.365 174.444 -1.079 18834 3033 1 6 . 1 1 86 86 VAL CA C 86 60.965 60.965 60.623 0.342 18834 3034 1 6 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.339 1.648 18834 3035 1 6 . 1 1 86 86 VAL H H 86 9.043 9.043 9.005 0.038 18834 3036 1 6 . 1 1 87 87 HIS N N 87 126.357 126.357 127.527 -1.170 18834 3037 1 6 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.310 -0.314 18834 3038 1 6 . 1 1 87 87 HIS C C 87 174.387 174.387 173.842 0.545 18834 3039 1 6 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.139 1.663 18834 3040 1 6 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.090 0.089 18834 3041 1 6 . 1 1 87 87 HIS H H 87 8.855 8.855 8.801 0.054 18834 3042 1 6 . 1 1 88 88 LEU N N 88 126.780 126.780 123.314 3.466 18834 3043 1 6 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.721 0.239 18834 3044 1 6 . 1 1 88 88 LEU C C 88 173.365 173.365 173.856 -0.491 18834 3045 1 6 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.613 -0.119 18834 3046 1 6 . 1 1 88 88 LEU CB C 88 45.187 45.187 44.868 0.319 18834 3047 1 6 . 1 1 88 88 LEU H H 88 9.016 9.016 8.085 0.931 18834 3048 1 6 . 1 1 89 89 LEU N N 89 124.435 124.435 122.643 1.792 18834 3049 1 6 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.666 0.055 18834 3050 1 6 . 1 1 89 89 LEU C C 89 175.213 175.213 176.324 -1.111 18834 3051 1 6 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.152 -0.491 18834 3052 1 6 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.217 3.174 18834 3053 1 6 . 1 1 89 89 LEU H H 89 7.965 7.965 7.774 0.191 18834 3054 1 6 . 1 1 90 90 LEU N N 90 127.444 127.444 120.683 6.761 18834 3055 1 6 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.146 0.137 18834 3056 1 6 . 1 1 90 90 LEU C C 90 173.560 173.560 175.614 -2.054 18834 3057 1 6 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.047 2.041 18834 3058 1 6 . 1 1 90 90 LEU CB C 90 45.956 45.956 43.783 2.173 18834 3059 1 6 . 1 1 90 90 LEU H H 90 8.909 8.909 8.497 0.412 18834 3060 1 6 . 1 1 91 91 GLU N N 91 118.954 118.954 119.910 -0.956 18834 3061 1 6 . 1 1 91 91 GLU HA H 91 5.062 5.062 5.037 0.025 18834 3062 1 6 . 1 1 91 91 GLU C C 91 176.652 176.652 176.128 0.524 18834 3063 1 6 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.142 -0.355 18834 3064 1 6 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.601 0.245 18834 3065 1 6 . 1 1 91 91 GLU H H 91 8.813 8.813 8.832 -0.019 18834 3066 1 6 . 1 1 92 92 LYS N N 92 129.055 129.055 125.355 3.700 18834 3067 1 6 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.384 0.003 18834 3068 1 6 . 1 1 92 92 LYS C C 92 178.000 178.000 176.891 1.109 18834 3069 1 6 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.997 -0.735 18834 3070 1 6 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.622 -0.551 18834 3071 1 6 . 1 1 92 92 LYS H H 92 9.362 9.362 8.480 0.882 18834 3072 1 6 . 1 1 93 93 GLY N N 93 117.893 117.893 107.665 10.228 18834 3073 1 6 . 1 1 93 93 GLY C C 93 173.147 173.147 172.967 0.180 18834 3074 1 6 . 1 1 93 93 GLY CA C 93 45.173 45.173 44.111 1.062 18834 3075 1 6 . 1 1 93 93 GLY H H 93 9.698 9.698 8.576 1.122 18834 3076 1 6 . 1 1 94 94 GLN N N 94 116.797 116.797 117.634 -0.837 18834 3077 1 6 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.098 0.164 18834 3078 1 6 . 1 1 94 94 GLN C C 94 175.942 175.942 174.052 1.890 18834 3079 1 6 . 1 1 94 94 GLN CA C 94 55.514 55.514 55.820 -0.306 18834 3080 1 6 . 1 1 94 94 GLN CB C 94 29.688 29.688 27.971 1.716 18834 3081 1 6 . 1 1 94 94 GLN H H 94 8.252 8.252 8.345 -0.093 18834 3082 1 6 . 1 1 95 95 SER N N 95 118.117 118.117 116.339 1.778 18834 3083 1 6 . 1 1 95 95 SER HA H 95 4.658 4.658 4.605 0.053 18834 3084 1 6 . 1 1 95 95 SER CA C 95 56.588 56.588 57.082 -0.494 18834 3085 1 6 . 1 1 95 95 SER CB C 95 63.194 63.194 63.676 -0.482 18834 3086 1 6 . 1 1 95 95 SER H H 95 8.377 8.377 8.350 0.027 18834 3087 1 6 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.615 -0.138 18834 3088 1 6 . 1 1 96 96 PRO C C 96 176.291 176.291 176.613 -0.322 18834 3089 1 6 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.843 0.668 18834 3090 1 6 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.161 -0.208 18834 3091 1 7 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.514 -0.040 18834 3092 1 7 . 1 1 2 2 PRO C C 2 175.857 175.857 175.633 0.224 18834 3093 1 7 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.384 0.459 18834 3094 1 7 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.821 -0.553 18834 3095 1 7 . 1 1 3 3 LYS N N 3 124.698 124.698 119.250 5.448 18834 3096 1 7 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.542 0.048 18834 3097 1 7 . 1 1 3 3 LYS CA C 3 53.618 53.618 53.893 -0.275 18834 3098 1 7 . 1 1 3 3 LYS CB C 3 31.556 31.556 31.675 -0.119 18834 3099 1 7 . 1 1 3 3 LYS H H 3 8.952 8.952 8.159 0.793 18834 3100 1 7 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.238 -0.294 18834 3101 1 7 . 1 1 4 4 PRO C C 4 177.504 177.504 177.431 0.073 18834 3102 1 7 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.429 0.115 18834 3103 1 7 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.008 0.762 18834 3104 1 7 . 1 1 5 5 GLY N N 5 113.728 113.728 113.293 0.435 18834 3105 1 7 . 1 1 5 5 GLY C C 5 174.146 174.146 173.800 0.346 18834 3106 1 7 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.692 0.341 18834 3107 1 7 . 1 1 5 5 GLY H H 5 9.011 9.011 8.564 0.447 18834 3108 1 7 . 1 1 6 6 ASP N N 6 121.776 121.776 121.600 0.176 18834 3109 1 7 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.783 -0.113 18834 3110 1 7 . 1 1 6 6 ASP C C 6 175.673 175.673 175.442 0.231 18834 3111 1 7 . 1 1 6 6 ASP CA C 6 54.918 54.918 53.999 0.919 18834 3112 1 7 . 1 1 6 6 ASP CB C 6 41.446 41.446 41.960 -0.514 18834 3113 1 7 . 1 1 6 6 ASP H H 6 8.468 8.468 8.140 0.328 18834 3114 1 7 . 1 1 7 7 ILE N N 7 121.570 121.570 123.020 -1.450 18834 3115 1 7 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.355 0.976 18834 3116 1 7 . 1 1 7 7 ILE C C 7 176.824 176.824 175.965 0.859 18834 3117 1 7 . 1 1 7 7 ILE CA C 7 59.601 59.601 59.223 0.378 18834 3118 1 7 . 1 1 7 7 ILE CB C 7 38.254 38.254 37.764 0.490 18834 3119 1 7 . 1 1 7 7 ILE H H 7 8.362 8.362 8.357 0.005 18834 3120 1 7 . 1 1 8 8 PHE N N 8 125.816 125.816 124.634 1.182 18834 3121 1 7 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.056 0.016 18834 3122 1 7 . 1 1 8 8 PHE C C 8 171.149 171.149 173.503 -2.354 18834 3123 1 7 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.824 -0.295 18834 3124 1 7 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.258 0.054 18834 3125 1 7 . 1 1 8 8 PHE H H 8 9.476 9.476 8.291 1.185 18834 3126 1 7 . 1 1 9 9 GLU N N 9 118.961 118.961 119.144 -0.183 18834 3127 1 7 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.562 0.651 18834 3128 1 7 . 1 1 9 9 GLU C C 9 175.995 175.995 175.784 0.211 18834 3129 1 7 . 1 1 9 9 GLU CA C 9 53.989 53.989 54.968 -0.979 18834 3130 1 7 . 1 1 9 9 GLU CB C 9 33.428 33.428 32.278 1.150 18834 3131 1 7 . 1 1 9 9 GLU H H 9 8.490 8.490 8.494 -0.004 18834 3132 1 7 . 1 1 10 10 VAL N N 10 119.964 119.964 115.855 4.109 18834 3133 1 7 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.509 -0.372 18834 3134 1 7 . 1 1 10 10 VAL C C 10 173.221 173.221 173.772 -0.551 18834 3135 1 7 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.570 1.521 18834 3136 1 7 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.510 1.256 18834 3137 1 7 . 1 1 10 10 VAL H H 10 8.577 8.577 7.805 0.772 18834 3138 1 7 . 1 1 11 11 GLU N N 11 126.219 126.219 121.911 4.308 18834 3139 1 7 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.374 -0.419 18834 3140 1 7 . 1 1 11 11 GLU C C 11 174.538 174.538 175.384 -0.846 18834 3141 1 7 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.478 0.384 18834 3142 1 7 . 1 1 11 11 GLU CB C 11 30.836 30.836 31.358 -0.521 18834 3143 1 7 . 1 1 11 11 GLU H H 11 7.794 7.794 8.313 -0.519 18834 3144 1 7 . 1 1 12 12 LEU N N 12 126.212 126.212 124.412 1.800 18834 3145 1 7 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.651 -0.005 18834 3146 1 7 . 1 1 12 12 LEU C C 12 173.916 173.916 175.433 -1.517 18834 3147 1 7 . 1 1 12 12 LEU CA C 12 53.137 53.137 54.236 -1.099 18834 3148 1 7 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.864 -0.738 18834 3149 1 7 . 1 1 12 12 LEU H H 12 8.848 8.848 8.791 0.057 18834 3150 1 7 . 1 1 13 13 ALA N N 13 126.357 126.357 124.305 2.052 18834 3151 1 7 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.486 0.609 18834 3152 1 7 . 1 1 13 13 ALA C C 13 177.352 177.352 176.945 0.407 18834 3153 1 7 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.659 -1.739 18834 3154 1 7 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.786 -0.409 18834 3155 1 7 . 1 1 13 13 ALA H H 13 8.494 8.494 8.474 0.020 18834 3156 1 7 . 1 1 14 14 LYS N N 14 120.000 120.000 121.018 -1.018 18834 3157 1 7 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.117 -0.365 18834 3158 1 7 . 1 1 14 14 LYS C C 14 176.313 176.313 176.309 0.004 18834 3159 1 7 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.410 0.352 18834 3160 1 7 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.167 1.302 18834 3161 1 7 . 1 1 14 14 LYS H H 14 8.496 8.496 8.289 0.207 18834 3162 1 7 . 1 1 15 15 ASN N N 15 117.473 117.473 116.353 1.120 18834 3163 1 7 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.454 0.463 18834 3164 1 7 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.396 -0.909 18834 3165 1 7 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.310 2.374 18834 3166 1 7 . 1 1 15 15 ASN H H 15 8.079 8.079 8.308 -0.229 18834 3167 1 7 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.248 0.011 18834 3168 1 7 . 1 1 16 16 ASP C C 16 175.515 175.515 175.971 -0.456 18834 3169 1 7 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.339 0.181 18834 3170 1 7 . 1 1 16 16 ASP CB C 16 39.303 39.303 39.726 -0.423 18834 3171 1 7 . 1 1 17 17 ASN N N 17 110.160 110.160 111.650 -1.490 18834 3172 1 7 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.280 -0.048 18834 3173 1 7 . 1 1 17 17 ASN C C 17 174.550 174.550 174.408 0.142 18834 3174 1 7 . 1 1 17 17 ASN CA C 17 54.349 54.349 55.013 -0.664 18834 3175 1 7 . 1 1 17 17 ASN CB C 17 38.455 38.455 37.722 0.733 18834 3176 1 7 . 1 1 17 17 ASN H H 17 8.959 8.959 8.831 0.128 18834 3177 1 7 . 1 1 18 18 SER N N 18 112.013 112.013 116.516 -4.503 18834 3178 1 7 . 1 1 18 18 SER HA H 18 4.976 4.976 4.567 0.409 18834 3179 1 7 . 1 1 18 18 SER CA C 18 56.519 56.519 58.027 -1.508 18834 3180 1 7 . 1 1 18 18 SER CB C 18 65.053 65.053 63.828 1.224 18834 3181 1 7 . 1 1 18 18 SER H H 18 7.892 7.892 7.718 0.174 18834 3182 1 7 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.785 -0.529 18834 3183 1 7 . 1 1 19 19 LEU C C 19 176.996 176.996 177.539 -0.543 18834 3184 1 7 . 1 1 19 19 LEU CA C 19 55.945 55.945 55.020 0.925 18834 3185 1 7 . 1 1 19 19 LEU CB C 19 43.178 43.178 42.558 0.620 18834 3186 1 7 . 1 1 20 20 GLY N N 20 105.651 105.651 104.573 1.078 18834 3187 1 7 . 1 1 20 20 GLY C C 20 176.218 176.218 173.461 2.757 18834 3188 1 7 . 1 1 20 20 GLY CA C 20 46.868 46.868 45.005 1.863 18834 3189 1 7 . 1 1 20 20 GLY H H 20 8.804 8.804 8.244 0.560 18834 3190 1 7 . 1 1 21 21 ILE N N 21 115.348 115.348 119.733 -4.385 18834 3191 1 7 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.417 0.425 18834 3192 1 7 . 1 1 21 21 ILE C C 21 175.987 175.987 175.320 0.667 18834 3193 1 7 . 1 1 21 21 ILE CA C 21 59.795 59.795 58.654 1.141 18834 3194 1 7 . 1 1 21 21 ILE CB C 21 42.334 42.334 39.004 3.330 18834 3195 1 7 . 1 1 21 21 ILE H H 21 7.775 7.775 7.718 0.057 18834 3196 1 7 . 1 1 22 22 CYS N N 22 123.503 123.503 119.079 4.424 18834 3197 1 7 . 1 1 22 22 CYS C C 22 176.187 176.187 173.080 3.107 18834 3198 1 7 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.319 -4.540 18834 3199 1 7 . 1 1 22 22 CYS CB C 22 36.527 36.527 30.866 5.661 18834 3200 1 7 . 1 1 22 22 CYS H H 22 8.533 8.533 8.324 0.209 18834 3201 1 7 . 1 1 23 23 VAL N N 23 114.882 114.882 115.309 -0.427 18834 3202 1 7 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.248 0.200 18834 3203 1 7 . 1 1 23 23 VAL C C 23 174.219 174.219 174.055 0.164 18834 3204 1 7 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.107 -0.685 18834 3205 1 7 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.407 -0.313 18834 3206 1 7 . 1 1 23 23 VAL H H 23 7.720 7.720 8.378 -0.658 18834 3207 1 7 . 1 1 24 24 THR N N 24 115.462 115.462 113.061 2.401 18834 3208 1 7 . 1 1 24 24 THR HA H 24 4.691 4.691 4.489 0.202 18834 3209 1 7 . 1 1 24 24 THR C C 24 171.649 171.649 173.349 -1.700 18834 3210 1 7 . 1 1 24 24 THR CA C 24 59.560 59.560 60.391 -0.831 18834 3211 1 7 . 1 1 24 24 THR CB C 24 70.573 70.573 69.550 1.023 18834 3212 1 7 . 1 1 24 24 THR H H 24 9.175 9.175 8.237 0.938 18834 3213 1 7 . 1 1 25 25 GLY N N 25 111.734 111.734 109.853 1.881 18834 3214 1 7 . 1 1 25 25 GLY C C 25 174.216 174.216 173.789 0.427 18834 3215 1 7 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.773 -0.109 18834 3216 1 7 . 1 1 25 25 GLY H H 25 8.323 8.323 8.307 0.016 18834 3217 1 7 . 1 1 26 26 GLY N N 26 107.524 107.524 108.646 -1.122 18834 3218 1 7 . 1 1 26 26 GLY C C 26 176.306 176.306 174.790 1.516 18834 3219 1 7 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.491 -1.721 18834 3220 1 7 . 1 1 26 26 GLY H H 26 7.541 7.541 7.860 -0.319 18834 3221 1 7 . 1 1 27 27 VAL N N 27 116.903 116.903 122.095 -5.192 18834 3222 1 7 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.003 0.126 18834 3223 1 7 . 1 1 27 27 VAL C C 27 175.716 175.716 176.738 -1.022 18834 3224 1 7 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.637 1.257 18834 3225 1 7 . 1 1 27 27 VAL CB C 27 31.963 31.963 31.130 0.833 18834 3226 1 7 . 1 1 27 27 VAL H H 27 8.055 8.055 8.078 -0.023 18834 3227 1 7 . 1 1 28 28 ASN N N 28 117.840 117.840 112.159 5.681 18834 3228 1 7 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.418 0.385 18834 3229 1 7 . 1 1 28 28 ASN C C 28 174.846 174.846 175.226 -0.380 18834 3230 1 7 . 1 1 28 28 ASN CA C 28 53.480 53.480 53.973 -0.493 18834 3231 1 7 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.094 0.660 18834 3232 1 7 . 1 1 28 28 ASN H H 28 8.779 8.779 8.372 0.407 18834 3233 1 7 . 1 1 29 29 THR N N 29 111.408 111.408 108.913 2.495 18834 3234 1 7 . 1 1 29 29 THR HA H 29 4.690 4.690 4.149 0.541 18834 3235 1 7 . 1 1 29 29 THR CA C 29 61.624 61.624 61.923 -0.299 18834 3236 1 7 . 1 1 29 29 THR CB C 29 70.939 70.939 69.188 1.751 18834 3237 1 7 . 1 1 29 29 THR H H 29 7.857 7.857 7.462 0.395 18834 3238 1 7 . 1 1 30 30 SER N N 30 113.816 113.816 115.075 -1.259 18834 3239 1 7 . 1 1 30 30 SER HA H 30 4.537 4.537 4.090 0.447 18834 3240 1 7 . 1 1 30 30 SER C C 30 174.867 174.867 174.860 0.007 18834 3241 1 7 . 1 1 30 30 SER CA C 30 58.369 58.369 59.917 -1.548 18834 3242 1 7 . 1 1 30 30 SER CB C 30 63.547 63.547 62.992 0.555 18834 3243 1 7 . 1 1 30 30 SER H H 30 8.438 8.438 8.485 -0.047 18834 3244 1 7 . 1 1 31 31 VAL N N 31 118.013 118.013 117.038 0.975 18834 3245 1 7 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.821 0.277 18834 3246 1 7 . 1 1 31 31 VAL C C 31 176.528 176.528 175.719 0.809 18834 3247 1 7 . 1 1 31 31 VAL CA C 31 62.070 62.070 61.626 0.444 18834 3248 1 7 . 1 1 31 31 VAL CB C 31 32.507 32.507 31.977 0.530 18834 3249 1 7 . 1 1 31 31 VAL H H 31 7.567 7.567 7.433 0.134 18834 3250 1 7 . 1 1 32 32 ARG N N 32 124.719 124.719 126.311 -1.592 18834 3251 1 7 . 1 1 32 32 ARG HA H 32 4.007 4.007 3.958 0.049 18834 3252 1 7 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.390 -0.381 18834 3253 1 7 . 1 1 32 32 ARG CB C 32 29.571 29.571 30.091 -0.520 18834 3254 1 7 . 1 1 32 32 ARG H H 32 8.501 8.501 8.635 -0.134 18834 3255 1 7 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.476 0.101 18834 3256 1 7 . 1 1 33 33 HIS C C 33 175.064 175.064 175.558 -0.494 18834 3257 1 7 . 1 1 33 33 HIS CA C 33 56.814 56.814 57.676 -0.862 18834 3258 1 7 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.220 -1.129 18834 3259 1 7 . 1 1 34 34 GLY N N 34 109.357 109.357 106.413 2.944 18834 3260 1 7 . 1 1 34 34 GLY C C 34 174.616 174.616 173.892 0.724 18834 3261 1 7 . 1 1 34 34 GLY CA C 34 46.594 46.594 44.983 1.611 18834 3262 1 7 . 1 1 34 34 GLY H H 34 8.469 8.469 7.700 0.769 18834 3263 1 7 . 1 1 35 35 GLY N N 35 104.989 104.989 105.730 -0.741 18834 3264 1 7 . 1 1 35 35 GLY C C 35 170.518 170.518 172.557 -2.039 18834 3265 1 7 . 1 1 35 35 GLY CA C 35 44.641 44.641 44.080 0.561 18834 3266 1 7 . 1 1 35 35 GLY H H 35 7.787 7.787 7.627 0.160 18834 3267 1 7 . 1 1 36 36 ILE N N 36 119.808 119.808 120.693 -0.885 18834 3268 1 7 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.851 -0.105 18834 3269 1 7 . 1 1 36 36 ILE C C 36 174.616 174.616 175.138 -0.522 18834 3270 1 7 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.194 -3.239 18834 3271 1 7 . 1 1 36 36 ILE CB C 36 35.618 35.618 39.842 -4.224 18834 3272 1 7 . 1 1 36 36 ILE H H 36 8.362 8.362 8.101 0.261 18834 3273 1 7 . 1 1 37 37 TYR N N 37 123.168 123.168 126.877 -3.709 18834 3274 1 7 . 1 1 37 37 TYR HA H 37 5.268 5.268 5.290 -0.022 18834 3275 1 7 . 1 1 37 37 TYR C C 37 176.069 176.069 176.662 -0.593 18834 3276 1 7 . 1 1 37 37 TYR CA C 37 55.959 55.959 54.582 1.377 18834 3277 1 7 . 1 1 37 37 TYR CB C 37 42.436 42.436 40.487 1.949 18834 3278 1 7 . 1 1 37 37 TYR H H 37 8.904 8.904 8.642 0.262 18834 3279 1 7 . 1 1 38 38 VAL N N 38 120.273 120.273 123.302 -3.029 18834 3280 1 7 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.064 -0.265 18834 3281 1 7 . 1 1 38 38 VAL C C 38 175.886 175.886 176.683 -0.797 18834 3282 1 7 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.698 1.386 18834 3283 1 7 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.732 0.712 18834 3284 1 7 . 1 1 38 38 VAL H H 38 9.230 9.230 9.080 0.150 18834 3285 1 7 . 1 1 39 39 LYS N N 39 133.619 133.619 130.691 2.928 18834 3286 1 7 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.239 0.150 18834 3287 1 7 . 1 1 39 39 LYS C C 39 174.763 174.763 175.794 -1.031 18834 3288 1 7 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.652 -1.116 18834 3289 1 7 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.223 1.316 18834 3290 1 7 . 1 1 39 39 LYS H H 39 9.584 9.584 8.355 1.229 18834 3291 1 7 . 1 1 40 40 ALA N N 40 117.459 117.459 120.745 -3.286 18834 3292 1 7 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.628 -0.124 18834 3293 1 7 . 1 1 40 40 ALA C C 40 174.686 174.686 175.039 -0.353 18834 3294 1 7 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.622 0.275 18834 3295 1 7 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.891 0.354 18834 3296 1 7 . 1 1 40 40 ALA H H 40 7.584 7.584 7.487 0.097 18834 3297 1 7 . 1 1 41 41 VAL N N 41 120.599 120.599 122.436 -1.837 18834 3298 1 7 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.364 0.015 18834 3299 1 7 . 1 1 41 41 VAL C C 41 175.714 175.714 175.406 0.308 18834 3300 1 7 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.060 0.089 18834 3301 1 7 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.794 -2.288 18834 3302 1 7 . 1 1 41 41 VAL H H 41 8.747 8.747 8.274 0.473 18834 3303 1 7 . 1 1 42 42 ILE N N 42 127.775 127.775 124.425 3.350 18834 3304 1 7 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.584 -0.457 18834 3305 1 7 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.517 1.309 18834 3306 1 7 . 1 1 42 42 ILE CB C 42 38.216 38.216 36.982 1.234 18834 3307 1 7 . 1 1 42 42 ILE H H 42 7.827 7.827 8.446 -0.619 18834 3308 1 7 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.646 -0.171 18834 3309 1 7 . 1 1 43 43 PRO C C 43 177.234 177.234 176.470 0.764 18834 3310 1 7 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.420 1.757 18834 3311 1 7 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.866 -1.065 18834 3312 1 7 . 1 1 44 44 GLN N N 44 116.932 116.932 115.525 1.407 18834 3313 1 7 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.849 -0.001 18834 3314 1 7 . 1 1 44 44 GLN C C 44 175.628 175.628 174.903 0.725 18834 3315 1 7 . 1 1 44 44 GLN CA C 44 58.141 58.141 56.629 1.512 18834 3316 1 7 . 1 1 44 44 GLN CB C 44 26.441 26.441 26.935 -0.494 18834 3317 1 7 . 1 1 44 44 GLN H H 44 9.388 9.388 9.262 0.126 18834 3318 1 7 . 1 1 45 45 GLY N N 45 106.131 106.131 103.225 2.906 18834 3319 1 7 . 1 1 45 45 GLY C C 45 174.404 174.404 172.886 1.518 18834 3320 1 7 . 1 1 45 45 GLY CA C 45 44.658 44.658 44.770 -0.112 18834 3321 1 7 . 1 1 45 45 GLY H H 45 7.875 7.875 7.525 0.350 18834 3322 1 7 . 1 1 46 46 ALA N N 46 121.011 121.011 123.390 -2.379 18834 3323 1 7 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.000 0.051 18834 3324 1 7 . 1 1 46 46 ALA C C 46 180.673 180.673 178.652 2.021 18834 3325 1 7 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.082 -0.037 18834 3326 1 7 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.614 -0.106 18834 3327 1 7 . 1 1 46 46 ALA H H 46 9.017 9.017 8.904 0.113 18834 3328 1 7 . 1 1 47 47 ALA N N 47 118.848 118.848 121.672 -2.824 18834 3329 1 7 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.876 0.192 18834 3330 1 7 . 1 1 47 47 ALA C C 47 180.699 180.699 179.628 1.071 18834 3331 1 7 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.243 -0.327 18834 3332 1 7 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.806 0.824 18834 3333 1 7 . 1 1 47 47 ALA H H 47 7.754 7.754 8.317 -0.563 18834 3334 1 7 . 1 1 48 48 GLU N N 48 124.400 124.400 119.552 4.848 18834 3335 1 7 . 1 1 48 48 GLU HA H 48 3.823 3.823 3.954 -0.131 18834 3336 1 7 . 1 1 48 48 GLU C C 48 178.174 178.174 178.901 -0.727 18834 3337 1 7 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.963 0.946 18834 3338 1 7 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.539 0.220 18834 3339 1 7 . 1 1 48 48 GLU H H 48 9.317 9.317 8.561 0.756 18834 3340 1 7 . 1 1 49 49 SER N N 49 113.388 113.388 114.183 -0.795 18834 3341 1 7 . 1 1 49 49 SER HA H 49 4.100 4.100 4.201 -0.101 18834 3342 1 7 . 1 1 49 49 SER C C 49 175.693 175.693 176.588 -0.895 18834 3343 1 7 . 1 1 49 49 SER CA C 49 61.233 61.233 60.810 0.423 18834 3344 1 7 . 1 1 49 49 SER CB C 49 62.780 62.780 63.230 -0.450 18834 3345 1 7 . 1 1 49 49 SER H H 49 8.115 8.115 8.357 -0.242 18834 3346 1 7 . 1 1 50 50 ASP N N 50 120.047 120.047 120.009 0.038 18834 3347 1 7 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.511 -0.133 18834 3348 1 7 . 1 1 50 50 ASP C C 50 177.650 177.650 177.123 0.527 18834 3349 1 7 . 1 1 50 50 ASP CA C 50 57.214 57.214 55.066 2.148 18834 3350 1 7 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.791 2.450 18834 3351 1 7 . 1 1 50 50 ASP H H 50 7.609 7.609 8.174 -0.565 18834 3352 1 7 . 1 1 51 51 GLY N N 51 102.979 102.979 107.021 -4.042 18834 3353 1 7 . 1 1 51 51 GLY C C 51 174.977 174.977 174.331 0.646 18834 3354 1 7 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.553 0.799 18834 3355 1 7 . 1 1 51 51 GLY H H 51 7.372 7.372 8.025 -0.653 18834 3356 1 7 . 1 1 52 52 ARG N N 52 117.579 117.579 118.267 -0.688 18834 3357 1 7 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.340 -0.026 18834 3358 1 7 . 1 1 52 52 ARG C C 52 175.886 175.886 175.260 0.626 18834 3359 1 7 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.761 2.132 18834 3360 1 7 . 1 1 52 52 ARG CB C 52 33.246 33.246 31.070 2.176 18834 3361 1 7 . 1 1 52 52 ARG H H 52 7.966 7.966 7.921 0.045 18834 3362 1 7 . 1 1 53 53 ILE N N 53 120.155 120.155 118.022 2.133 18834 3363 1 7 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.096 0.140 18834 3364 1 7 . 1 1 53 53 ILE C C 53 173.773 173.773 173.119 0.654 18834 3365 1 7 . 1 1 53 53 ILE CA C 53 61.405 61.405 59.601 1.804 18834 3366 1 7 . 1 1 53 53 ILE CB C 53 39.641 39.641 42.084 -2.443 18834 3367 1 7 . 1 1 53 53 ILE H H 53 8.225 8.225 7.294 0.931 18834 3368 1 7 . 1 1 54 54 HIS N N 54 123.751 123.751 121.357 2.394 18834 3369 1 7 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.815 -0.025 18834 3370 1 7 . 1 1 54 54 HIS C C 54 173.696 173.696 174.307 -0.611 18834 3371 1 7 . 1 1 54 54 HIS CA C 54 54.844 54.844 53.849 0.995 18834 3372 1 7 . 1 1 54 54 HIS CB C 54 33.566 33.566 33.008 0.558 18834 3373 1 7 . 1 1 54 54 HIS H H 54 9.061 9.061 7.700 1.361 18834 3374 1 7 . 1 1 55 55 LYS N N 55 120.590 120.590 120.007 0.583 18834 3375 1 7 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.226 -0.600 18834 3376 1 7 . 1 1 55 55 LYS C C 55 176.916 176.916 177.270 -0.354 18834 3377 1 7 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.578 0.726 18834 3378 1 7 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.604 -0.183 18834 3379 1 7 . 1 1 55 55 LYS H H 55 8.670 8.670 8.512 0.158 18834 3380 1 7 . 1 1 56 56 GLY N N 56 114.645 114.645 111.558 3.087 18834 3381 1 7 . 1 1 56 56 GLY C C 56 174.438 174.438 174.969 -0.531 18834 3382 1 7 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.449 0.313 18834 3383 1 7 . 1 1 56 56 GLY H H 56 9.201 9.201 8.691 0.510 18834 3384 1 7 . 1 1 57 57 ASP N N 57 121.982 121.982 123.371 -1.389 18834 3385 1 7 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.477 0.410 18834 3386 1 7 . 1 1 57 57 ASP C C 57 174.623 174.623 174.904 -0.281 18834 3387 1 7 . 1 1 57 57 ASP CA C 57 55.836 55.836 56.014 -0.178 18834 3388 1 7 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.140 -0.057 18834 3389 1 7 . 1 1 57 57 ASP H H 57 8.058 8.058 7.703 0.355 18834 3390 1 7 . 1 1 58 58 ARG N N 58 123.240 123.240 123.334 -0.094 18834 3391 1 7 . 1 1 58 58 ARG HA H 58 4.615 4.615 5.103 -0.488 18834 3392 1 7 . 1 1 58 58 ARG C C 58 175.573 175.573 174.742 0.831 18834 3393 1 7 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.350 0.171 18834 3394 1 7 . 1 1 58 58 ARG CB C 58 33.701 33.701 32.618 1.083 18834 3395 1 7 . 1 1 58 58 ARG H H 58 9.078 9.078 7.659 1.419 18834 3396 1 7 . 1 1 59 59 VAL N N 59 126.202 126.202 126.135 0.067 18834 3397 1 7 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.248 -0.385 18834 3398 1 7 . 1 1 59 59 VAL C C 59 174.458 174.458 175.474 -1.016 18834 3399 1 7 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.986 -0.783 18834 3400 1 7 . 1 1 59 59 VAL CB C 59 30.998 30.998 31.926 -0.928 18834 3401 1 7 . 1 1 59 59 VAL H H 59 8.897 8.897 8.999 -0.102 18834 3402 1 7 . 1 1 60 60 LEU N N 60 127.163 127.163 128.522 -1.359 18834 3403 1 7 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.421 -0.125 18834 3404 1 7 . 1 1 60 60 LEU C C 60 178.289 178.289 176.217 2.072 18834 3405 1 7 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.207 -0.153 18834 3406 1 7 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.944 -0.332 18834 3407 1 7 . 1 1 60 60 LEU H H 60 9.213 9.213 8.822 0.391 18834 3408 1 7 . 1 1 61 61 ALA N N 61 118.886 118.886 117.569 1.317 18834 3409 1 7 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.164 -0.210 18834 3410 1 7 . 1 1 61 61 ALA C C 61 175.288 175.288 175.341 -0.053 18834 3411 1 7 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.465 1.813 18834 3412 1 7 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.388 -0.292 18834 3413 1 7 . 1 1 61 61 ALA H H 61 7.741 7.741 7.372 0.369 18834 3414 1 7 . 1 1 62 62 VAL N N 62 119.929 119.929 120.144 -0.215 18834 3415 1 7 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.260 0.190 18834 3416 1 7 . 1 1 62 62 VAL C C 62 175.323 175.323 176.028 -0.705 18834 3417 1 7 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.895 -0.477 18834 3418 1 7 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.326 0.724 18834 3419 1 7 . 1 1 62 62 VAL H H 62 8.256 8.256 8.630 -0.374 18834 3420 1 7 . 1 1 63 63 ASN N N 63 128.933 128.933 127.527 1.406 18834 3421 1 7 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.475 0.070 18834 3422 1 7 . 1 1 63 63 ASN C C 63 175.197 175.197 175.202 -0.005 18834 3423 1 7 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.466 -0.298 18834 3424 1 7 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.965 -1.069 18834 3425 1 7 . 1 1 63 63 ASN H H 63 10.392 10.392 9.207 1.185 18834 3426 1 7 . 1 1 64 64 GLY N N 64 103.413 103.413 102.812 0.601 18834 3427 1 7 . 1 1 64 64 GLY C C 64 173.872 173.872 174.322 -0.450 18834 3428 1 7 . 1 1 64 64 GLY CA C 64 45.171 45.171 44.909 0.262 18834 3429 1 7 . 1 1 64 64 GLY H H 64 9.085 9.085 8.407 0.678 18834 3430 1 7 . 1 1 65 65 VAL N N 65 123.643 123.643 124.152 -0.509 18834 3431 1 7 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.089 -0.141 18834 3432 1 7 . 1 1 65 65 VAL C C 65 175.645 175.645 175.528 0.117 18834 3433 1 7 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.845 0.291 18834 3434 1 7 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.847 -0.207 18834 3435 1 7 . 1 1 65 65 VAL H H 65 8.028 8.028 7.809 0.219 18834 3436 1 7 . 1 1 66 66 SER N N 66 120.923 120.923 123.425 -2.502 18834 3437 1 7 . 1 1 66 66 SER HA H 66 4.334 4.334 4.212 0.122 18834 3438 1 7 . 1 1 66 66 SER C C 66 176.388 176.388 174.280 2.108 18834 3439 1 7 . 1 1 66 66 SER CA C 66 58.342 58.342 59.467 -1.125 18834 3440 1 7 . 1 1 66 66 SER CB C 66 63.562 63.562 63.470 0.092 18834 3441 1 7 . 1 1 66 66 SER H H 66 8.647 8.647 8.720 -0.073 18834 3442 1 7 . 1 1 67 67 LEU N N 67 125.116 125.116 127.701 -2.585 18834 3443 1 7 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.676 -0.238 18834 3444 1 7 . 1 1 67 67 LEU C C 67 176.462 176.462 176.379 0.083 18834 3445 1 7 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.087 -0.354 18834 3446 1 7 . 1 1 67 67 LEU CB C 67 40.890 40.890 43.129 -2.239 18834 3447 1 7 . 1 1 67 67 LEU H H 67 8.292 8.292 9.168 -0.876 18834 3448 1 7 . 1 1 68 68 GLU N N 68 123.552 123.552 120.167 3.385 18834 3449 1 7 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.194 -0.159 18834 3450 1 7 . 1 1 68 68 GLU C C 68 177.767 177.767 177.119 0.648 18834 3451 1 7 . 1 1 68 68 GLU CA C 68 58.571 58.571 58.056 0.515 18834 3452 1 7 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.087 -0.035 18834 3453 1 7 . 1 1 68 68 GLU H H 68 8.305 8.305 7.652 0.653 18834 3454 1 7 . 1 1 69 69 GLY N N 69 115.496 115.496 112.820 2.676 18834 3455 1 7 . 1 1 69 69 GLY C C 69 173.618 173.618 174.241 -0.623 18834 3456 1 7 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.905 0.491 18834 3457 1 7 . 1 1 69 69 GLY H H 69 8.977 8.977 8.479 0.498 18834 3458 1 7 . 1 1 70 70 ALA N N 70 121.999 121.999 123.641 -1.642 18834 3459 1 7 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.553 -0.051 18834 3460 1 7 . 1 1 70 70 ALA C C 70 179.820 179.820 176.119 3.701 18834 3461 1 7 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.720 0.695 18834 3462 1 7 . 1 1 70 70 ALA CB C 70 19.638 19.638 19.572 0.066 18834 3463 1 7 . 1 1 70 70 ALA H H 70 7.807 7.807 7.936 -0.129 18834 3464 1 7 . 1 1 71 71 THR N N 71 111.294 111.294 111.959 -0.665 18834 3465 1 7 . 1 1 71 71 THR HA H 71 4.515 4.515 4.385 0.130 18834 3466 1 7 . 1 1 71 71 THR C C 71 174.717 174.717 176.090 -1.373 18834 3467 1 7 . 1 1 71 71 THR CA C 71 60.692 60.692 60.314 0.378 18834 3468 1 7 . 1 1 71 71 THR CB C 71 71.274 71.274 70.674 0.601 18834 3469 1 7 . 1 1 71 71 THR H H 71 8.222 8.222 7.871 0.351 18834 3470 1 7 . 1 1 72 72 HIS N N 72 121.871 121.871 118.424 3.447 18834 3471 1 7 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.227 -0.367 18834 3472 1 7 . 1 1 72 72 HIS C C 72 176.702 176.702 177.583 -0.881 18834 3473 1 7 . 1 1 72 72 HIS CA C 72 61.983 61.983 59.844 2.139 18834 3474 1 7 . 1 1 72 72 HIS CB C 72 30.047 30.047 28.972 1.075 18834 3475 1 7 . 1 1 72 72 HIS H H 72 9.217 9.217 8.783 0.434 18834 3476 1 7 . 1 1 73 73 LYS N N 73 116.941 116.941 119.995 -3.054 18834 3477 1 7 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.909 -0.085 18834 3478 1 7 . 1 1 73 73 LYS C C 73 178.288 178.288 179.045 -0.757 18834 3479 1 7 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.044 0.305 18834 3480 1 7 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.629 1.182 18834 3481 1 7 . 1 1 73 73 LYS H H 73 8.429 8.429 7.786 0.643 18834 3482 1 7 . 1 1 74 74 GLN N N 74 116.915 116.915 117.973 -1.058 18834 3483 1 7 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.944 -0.075 18834 3484 1 7 . 1 1 74 74 GLN C C 74 179.732 179.732 178.604 1.128 18834 3485 1 7 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.699 -0.100 18834 3486 1 7 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.130 0.221 18834 3487 1 7 . 1 1 74 74 GLN H H 74 7.660 7.660 7.739 -0.079 18834 3488 1 7 . 1 1 75 75 ALA N N 75 122.673 122.673 122.937 -0.264 18834 3489 1 7 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.942 -0.154 18834 3490 1 7 . 1 1 75 75 ALA C C 75 179.078 179.078 179.577 -0.499 18834 3491 1 7 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.478 0.088 18834 3492 1 7 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.412 0.439 18834 3493 1 7 . 1 1 75 75 ALA H H 75 8.379 8.379 8.323 0.056 18834 3494 1 7 . 1 1 76 76 VAL N N 76 112.831 112.831 115.366 -2.535 18834 3495 1 7 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.803 -0.298 18834 3496 1 7 . 1 1 76 76 VAL CA C 76 65.895 65.895 65.527 0.368 18834 3497 1 7 . 1 1 76 76 VAL CB C 76 30.691 30.691 30.913 -0.222 18834 3498 1 7 . 1 1 76 76 VAL H H 76 8.239 8.239 8.106 0.133 18834 3499 1 7 . 1 1 77 77 CYS C C 77 177.150 177.150 177.339 -0.189 18834 3500 1 7 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.550 -3.159 18834 3501 1 7 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.461 10.321 18834 3502 1 7 . 1 1 78 78 THR N N 78 117.507 117.507 115.896 1.611 18834 3503 1 7 . 1 1 78 78 THR HA H 78 3.858 3.858 4.082 -0.224 18834 3504 1 7 . 1 1 78 78 THR C C 78 176.460 176.460 175.789 0.671 18834 3505 1 7 . 1 1 78 78 THR CA C 78 67.123 67.123 66.124 0.999 18834 3506 1 7 . 1 1 78 78 THR CB C 78 68.123 68.123 68.907 -0.784 18834 3507 1 7 . 1 1 78 78 THR H H 78 8.015 8.015 7.971 0.044 18834 3508 1 7 . 1 1 79 79 LEU N N 79 119.666 119.666 119.859 -0.193 18834 3509 1 7 . 1 1 79 79 LEU HA H 79 3.750 3.750 3.997 -0.247 18834 3510 1 7 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.687 0.503 18834 3511 1 7 . 1 1 79 79 LEU CB C 79 42.072 42.072 42.116 -0.044 18834 3512 1 7 . 1 1 79 79 LEU H H 79 7.984 7.984 7.925 0.059 18834 3513 1 7 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.108 0.089 18834 3514 1 7 . 1 1 80 80 ARG C C 80 177.750 177.750 178.627 -0.877 18834 3515 1 7 . 1 1 80 80 ARG CA C 80 58.307 58.307 58.888 -0.581 18834 3516 1 7 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.551 -0.459 18834 3517 1 7 . 1 1 81 81 ASN N N 81 119.843 119.843 119.635 0.208 18834 3518 1 7 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.602 0.382 18834 3519 1 7 . 1 1 81 81 ASN C C 81 174.819 174.819 174.983 -0.164 18834 3520 1 7 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.096 0.017 18834 3521 1 7 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.521 0.147 18834 3522 1 7 . 1 1 81 81 ASN H H 81 7.648 7.648 7.847 -0.199 18834 3523 1 7 . 1 1 82 82 THR N N 82 109.907 109.907 111.879 -1.972 18834 3524 1 7 . 1 1 82 82 THR HA H 82 4.447 4.447 4.771 -0.324 18834 3525 1 7 . 1 1 82 82 THR C C 82 175.114 175.114 174.178 0.936 18834 3526 1 7 . 1 1 82 82 THR CA C 82 59.944 59.944 60.368 -0.424 18834 3527 1 7 . 1 1 82 82 THR CB C 82 72.611 72.611 71.848 0.763 18834 3528 1 7 . 1 1 82 82 THR H H 82 7.668 7.668 7.804 -0.136 18834 3529 1 7 . 1 1 83 83 GLY N N 83 109.505 109.505 106.693 2.812 18834 3530 1 7 . 1 1 83 83 GLY C C 83 173.467 173.467 174.836 -1.369 18834 3531 1 7 . 1 1 83 83 GLY CA C 83 44.092 44.092 43.910 0.182 18834 3532 1 7 . 1 1 83 83 GLY H H 83 8.421 8.421 8.454 -0.033 18834 3533 1 7 . 1 1 84 84 GLN N N 84 117.276 117.276 118.940 -1.664 18834 3534 1 7 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.123 -0.160 18834 3535 1 7 . 1 1 84 84 GLN C C 84 175.254 175.254 176.325 -1.071 18834 3536 1 7 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.394 0.049 18834 3537 1 7 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.182 -0.209 18834 3538 1 7 . 1 1 84 84 GLN H H 84 8.224 8.224 8.432 -0.208 18834 3539 1 7 . 1 1 85 85 VAL N N 85 116.186 116.186 117.167 -0.981 18834 3540 1 7 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.470 0.184 18834 3541 1 7 . 1 1 85 85 VAL C C 85 175.879 175.879 175.620 0.259 18834 3542 1 7 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.733 -0.435 18834 3543 1 7 . 1 1 85 85 VAL CB C 85 33.130 33.130 32.601 0.529 18834 3544 1 7 . 1 1 85 85 VAL H H 85 7.699 7.699 7.754 -0.055 18834 3545 1 7 . 1 1 86 86 VAL N N 86 128.499 128.499 124.800 3.699 18834 3546 1 7 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.300 0.147 18834 3547 1 7 . 1 1 86 86 VAL C C 86 173.365 173.365 174.443 -1.078 18834 3548 1 7 . 1 1 86 86 VAL CA C 86 60.965 60.965 61.280 -0.315 18834 3549 1 7 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.525 1.462 18834 3550 1 7 . 1 1 86 86 VAL H H 86 9.043 9.043 9.114 -0.071 18834 3551 1 7 . 1 1 87 87 HIS N N 87 126.357 126.357 127.711 -1.354 18834 3552 1 7 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.465 -0.469 18834 3553 1 7 . 1 1 87 87 HIS C C 87 174.387 174.387 174.176 0.211 18834 3554 1 7 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.667 1.135 18834 3555 1 7 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.731 -0.552 18834 3556 1 7 . 1 1 87 87 HIS H H 87 8.855 8.855 8.847 0.008 18834 3557 1 7 . 1 1 88 88 LEU N N 88 126.780 126.780 123.904 2.876 18834 3558 1 7 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.847 0.113 18834 3559 1 7 . 1 1 88 88 LEU C C 88 173.365 173.365 173.857 -0.492 18834 3560 1 7 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.516 -0.021 18834 3561 1 7 . 1 1 88 88 LEU CB C 88 45.187 45.187 44.421 0.766 18834 3562 1 7 . 1 1 88 88 LEU H H 88 9.016 9.016 7.914 1.102 18834 3563 1 7 . 1 1 89 89 LEU N N 89 124.435 124.435 122.899 1.536 18834 3564 1 7 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.673 0.048 18834 3565 1 7 . 1 1 89 89 LEU C C 89 175.213 175.213 176.392 -1.179 18834 3566 1 7 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.541 -0.881 18834 3567 1 7 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.130 3.261 18834 3568 1 7 . 1 1 89 89 LEU H H 89 7.965 7.965 7.974 -0.009 18834 3569 1 7 . 1 1 90 90 LEU N N 90 127.444 127.444 116.493 10.951 18834 3570 1 7 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.372 -0.089 18834 3571 1 7 . 1 1 90 90 LEU C C 90 173.560 173.560 174.473 -0.913 18834 3572 1 7 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.261 1.827 18834 3573 1 7 . 1 1 90 90 LEU CB C 90 45.956 45.956 46.191 -0.235 18834 3574 1 7 . 1 1 90 90 LEU H H 90 8.909 8.909 8.448 0.461 18834 3575 1 7 . 1 1 91 91 GLU N N 91 118.954 118.954 119.772 -0.818 18834 3576 1 7 . 1 1 91 91 GLU HA H 91 5.062 5.062 4.642 0.420 18834 3577 1 7 . 1 1 91 91 GLU C C 91 176.652 176.652 176.916 -0.264 18834 3578 1 7 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.395 -0.609 18834 3579 1 7 . 1 1 91 91 GLU CB C 91 33.846 33.846 32.639 1.207 18834 3580 1 7 . 1 1 91 91 GLU H H 91 8.813 8.813 8.020 0.793 18834 3581 1 7 . 1 1 92 92 LYS N N 92 129.055 129.055 127.278 1.777 18834 3582 1 7 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.189 0.198 18834 3583 1 7 . 1 1 92 92 LYS C C 92 178.000 178.000 177.618 0.382 18834 3584 1 7 . 1 1 92 92 LYS CA C 92 56.262 56.262 58.843 -2.582 18834 3585 1 7 . 1 1 92 92 LYS CB C 92 32.071 32.071 31.097 0.974 18834 3586 1 7 . 1 1 92 92 LYS H H 92 9.362 9.362 8.628 0.734 18834 3587 1 7 . 1 1 93 93 GLY N N 93 117.893 117.893 108.191 9.702 18834 3588 1 7 . 1 1 93 93 GLY C C 93 173.147 173.147 173.179 -0.032 18834 3589 1 7 . 1 1 93 93 GLY CA C 93 45.173 45.173 44.936 0.237 18834 3590 1 7 . 1 1 93 93 GLY H H 93 9.698 9.698 8.229 1.469 18834 3591 1 7 . 1 1 94 94 GLN N N 94 116.797 116.797 124.051 -7.254 18834 3592 1 7 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.047 0.215 18834 3593 1 7 . 1 1 94 94 GLN C C 94 175.942 175.942 175.109 0.833 18834 3594 1 7 . 1 1 94 94 GLN CA C 94 55.514 55.514 56.138 -0.624 18834 3595 1 7 . 1 1 94 94 GLN CB C 94 29.688 29.688 28.259 1.429 18834 3596 1 7 . 1 1 94 94 GLN H H 94 8.252 8.252 7.803 0.449 18834 3597 1 7 . 1 1 95 95 SER N N 95 118.117 118.117 121.357 -3.240 18834 3598 1 7 . 1 1 95 95 SER HA H 95 4.658 4.658 4.774 -0.116 18834 3599 1 7 . 1 1 95 95 SER CA C 95 56.588 56.588 55.611 0.977 18834 3600 1 7 . 1 1 95 95 SER CB C 95 63.194 63.194 64.015 -0.821 18834 3601 1 7 . 1 1 95 95 SER H H 95 8.377 8.377 8.363 0.014 18834 3602 1 7 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.507 -0.030 18834 3603 1 7 . 1 1 96 96 PRO C C 96 176.291 176.291 176.901 -0.610 18834 3604 1 7 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.757 0.754 18834 3605 1 7 . 1 1 96 96 PRO CB C 96 31.953 31.953 31.622 0.331 18834 3606 1 8 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.469 0.005 18834 3607 1 8 . 1 1 2 2 PRO C C 2 175.857 175.857 176.017 -0.160 18834 3608 1 8 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.444 0.399 18834 3609 1 8 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.303 -0.035 18834 3610 1 8 . 1 1 3 3 LYS N N 3 124.698 124.698 123.937 0.761 18834 3611 1 8 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.662 -0.072 18834 3612 1 8 . 1 1 3 3 LYS CA C 3 53.618 53.618 53.267 0.351 18834 3613 1 8 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.807 -1.251 18834 3614 1 8 . 1 1 3 3 LYS H H 3 8.952 8.952 8.109 0.843 18834 3615 1 8 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.163 -0.220 18834 3616 1 8 . 1 1 4 4 PRO C C 4 177.504 177.504 177.392 0.112 18834 3617 1 8 . 1 1 4 4 PRO CA C 4 64.544 64.544 63.777 0.767 18834 3618 1 8 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.378 0.392 18834 3619 1 8 . 1 1 5 5 GLY N N 5 113.728 113.728 113.786 -0.058 18834 3620 1 8 . 1 1 5 5 GLY C C 5 174.146 174.146 174.092 0.054 18834 3621 1 8 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.834 0.199 18834 3622 1 8 . 1 1 5 5 GLY H H 5 9.011 9.011 8.289 0.722 18834 3623 1 8 . 1 1 6 6 ASP N N 6 121.776 121.776 121.521 0.255 18834 3624 1 8 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.715 -0.045 18834 3625 1 8 . 1 1 6 6 ASP C C 6 175.673 175.673 175.720 -0.047 18834 3626 1 8 . 1 1 6 6 ASP CA C 6 54.918 54.918 54.029 0.889 18834 3627 1 8 . 1 1 6 6 ASP CB C 6 41.446 41.446 42.089 -0.643 18834 3628 1 8 . 1 1 6 6 ASP H H 6 8.468 8.468 7.944 0.524 18834 3629 1 8 . 1 1 7 7 ILE N N 7 121.570 121.570 123.990 -2.420 18834 3630 1 8 . 1 1 7 7 ILE HA H 7 5.331 5.331 5.138 0.193 18834 3631 1 8 . 1 1 7 7 ILE C C 7 176.824 176.824 175.973 0.851 18834 3632 1 8 . 1 1 7 7 ILE CA C 7 59.601 59.601 60.541 -0.940 18834 3633 1 8 . 1 1 7 7 ILE CB C 7 38.254 38.254 38.954 -0.700 18834 3634 1 8 . 1 1 7 7 ILE H H 7 8.362 8.362 8.359 0.003 18834 3635 1 8 . 1 1 8 8 PHE N N 8 125.816 125.816 125.321 0.495 18834 3636 1 8 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.096 -0.024 18834 3637 1 8 . 1 1 8 8 PHE C C 8 171.149 171.149 173.480 -2.331 18834 3638 1 8 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.350 0.179 18834 3639 1 8 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.218 0.095 18834 3640 1 8 . 1 1 8 8 PHE H H 8 9.476 9.476 8.799 0.677 18834 3641 1 8 . 1 1 9 9 GLU N N 9 118.961 118.961 120.363 -1.402 18834 3642 1 8 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.416 0.797 18834 3643 1 8 . 1 1 9 9 GLU C C 9 175.995 175.995 175.852 0.143 18834 3644 1 8 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.237 -1.248 18834 3645 1 8 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.884 1.544 18834 3646 1 8 . 1 1 9 9 GLU H H 9 8.490 8.490 8.498 -0.008 18834 3647 1 8 . 1 1 10 10 VAL N N 10 119.964 119.964 118.294 1.670 18834 3648 1 8 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.572 -0.435 18834 3649 1 8 . 1 1 10 10 VAL C C 10 173.221 173.221 174.071 -0.850 18834 3650 1 8 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.901 1.190 18834 3651 1 8 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.771 0.995 18834 3652 1 8 . 1 1 10 10 VAL H H 10 8.577 8.577 8.007 0.570 18834 3653 1 8 . 1 1 11 11 GLU N N 11 126.219 126.219 121.975 4.244 18834 3654 1 8 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.362 -0.407 18834 3655 1 8 . 1 1 11 11 GLU C C 11 174.538 174.538 175.572 -1.034 18834 3656 1 8 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.764 0.098 18834 3657 1 8 . 1 1 11 11 GLU CB C 11 30.836 30.836 31.202 -0.366 18834 3658 1 8 . 1 1 11 11 GLU H H 11 7.794 7.794 8.321 -0.527 18834 3659 1 8 . 1 1 12 12 LEU N N 12 126.212 126.212 125.054 1.158 18834 3660 1 8 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.750 -0.104 18834 3661 1 8 . 1 1 12 12 LEU C C 12 173.916 173.916 175.579 -1.663 18834 3662 1 8 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.963 -0.826 18834 3663 1 8 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.912 -0.786 18834 3664 1 8 . 1 1 12 12 LEU H H 12 8.848 8.848 8.923 -0.075 18834 3665 1 8 . 1 1 13 13 ALA N N 13 126.357 126.357 125.101 1.256 18834 3666 1 8 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.414 0.681 18834 3667 1 8 . 1 1 13 13 ALA C C 13 177.352 177.352 177.573 -0.221 18834 3668 1 8 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.264 -1.345 18834 3669 1 8 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.465 -0.088 18834 3670 1 8 . 1 1 13 13 ALA H H 13 8.494 8.494 8.409 0.085 18834 3671 1 8 . 1 1 14 14 LYS N N 14 120.000 120.000 122.886 -2.886 18834 3672 1 8 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.085 -0.333 18834 3673 1 8 . 1 1 14 14 LYS C C 14 176.313 176.313 175.774 0.539 18834 3674 1 8 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.168 0.594 18834 3675 1 8 . 1 1 14 14 LYS CB C 14 34.469 34.469 32.900 1.569 18834 3676 1 8 . 1 1 14 14 LYS H H 14 8.496 8.496 8.183 0.313 18834 3677 1 8 . 1 1 15 15 ASN N N 15 117.473 117.473 115.976 1.497 18834 3678 1 8 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.467 0.450 18834 3679 1 8 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.507 -1.020 18834 3680 1 8 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.248 2.436 18834 3681 1 8 . 1 1 15 15 ASN H H 15 8.079 8.079 8.326 -0.247 18834 3682 1 8 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.272 -0.013 18834 3683 1 8 . 1 1 16 16 ASP C C 16 175.515 175.515 176.289 -0.774 18834 3684 1 8 . 1 1 16 16 ASP CA C 16 55.520 55.520 54.915 0.605 18834 3685 1 8 . 1 1 16 16 ASP CB C 16 39.303 39.303 40.403 -1.100 18834 3686 1 8 . 1 1 17 17 ASN N N 17 110.160 110.160 112.530 -2.370 18834 3687 1 8 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.227 0.005 18834 3688 1 8 . 1 1 17 17 ASN C C 17 174.550 174.550 173.849 0.701 18834 3689 1 8 . 1 1 17 17 ASN CA C 17 54.349 54.349 54.872 -0.523 18834 3690 1 8 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.627 -0.172 18834 3691 1 8 . 1 1 17 17 ASN H H 17 8.959 8.959 8.911 0.048 18834 3692 1 8 . 1 1 18 18 SER N N 18 112.013 112.013 114.430 -2.417 18834 3693 1 8 . 1 1 18 18 SER HA H 18 4.976 4.976 4.697 0.279 18834 3694 1 8 . 1 1 18 18 SER CA C 18 56.519 56.519 58.121 -1.602 18834 3695 1 8 . 1 1 18 18 SER CB C 18 65.053 65.053 65.124 -0.071 18834 3696 1 8 . 1 1 18 18 SER H H 18 7.892 7.892 7.368 0.524 18834 3697 1 8 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.656 -0.400 18834 3698 1 8 . 1 1 19 19 LEU C C 19 176.996 176.996 175.335 1.661 18834 3699 1 8 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.383 1.562 18834 3700 1 8 . 1 1 19 19 LEU CB C 19 43.178 43.178 44.718 -1.540 18834 3701 1 8 . 1 1 20 20 GLY N N 20 105.651 105.651 109.006 -3.355 18834 3702 1 8 . 1 1 20 20 GLY C C 20 176.218 176.218 172.780 3.438 18834 3703 1 8 . 1 1 20 20 GLY CA C 20 46.868 46.868 45.350 1.518 18834 3704 1 8 . 1 1 20 20 GLY H H 20 8.804 8.804 8.372 0.432 18834 3705 1 8 . 1 1 21 21 ILE N N 21 115.348 115.348 123.106 -7.758 18834 3706 1 8 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.871 -0.029 18834 3707 1 8 . 1 1 21 21 ILE C C 21 175.987 175.987 175.871 0.116 18834 3708 1 8 . 1 1 21 21 ILE CA C 21 59.795 59.795 58.383 1.412 18834 3709 1 8 . 1 1 21 21 ILE CB C 21 42.334 42.334 40.378 1.956 18834 3710 1 8 . 1 1 21 21 ILE H H 21 7.775 7.775 8.079 -0.304 18834 3711 1 8 . 1 1 22 22 CYS N N 22 123.503 123.503 124.432 -0.929 18834 3712 1 8 . 1 1 22 22 CYS C C 22 176.187 176.187 174.198 1.989 18834 3713 1 8 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.906 -5.127 18834 3714 1 8 . 1 1 22 22 CYS CB C 22 36.527 36.527 27.974 8.553 18834 3715 1 8 . 1 1 22 22 CYS H H 22 8.533 8.533 8.447 0.086 18834 3716 1 8 . 1 1 23 23 VAL N N 23 114.882 114.882 116.640 -1.758 18834 3717 1 8 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.301 0.147 18834 3718 1 8 . 1 1 23 23 VAL C C 23 174.219 174.219 174.247 -0.028 18834 3719 1 8 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.102 -0.680 18834 3720 1 8 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.762 -0.668 18834 3721 1 8 . 1 1 23 23 VAL H H 23 7.720 7.720 8.123 -0.403 18834 3722 1 8 . 1 1 24 24 THR N N 24 115.462 115.462 114.124 1.338 18834 3723 1 8 . 1 1 24 24 THR HA H 24 4.691 4.691 4.508 0.183 18834 3724 1 8 . 1 1 24 24 THR C C 24 171.649 171.649 173.156 -1.507 18834 3725 1 8 . 1 1 24 24 THR CA C 24 59.560 59.560 60.582 -1.022 18834 3726 1 8 . 1 1 24 24 THR CB C 24 70.573 70.573 70.203 0.370 18834 3727 1 8 . 1 1 24 24 THR H H 24 9.175 9.175 8.197 0.978 18834 3728 1 8 . 1 1 25 25 GLY N N 25 111.734 111.734 109.920 1.814 18834 3729 1 8 . 1 1 25 25 GLY C C 25 174.216 174.216 174.007 0.209 18834 3730 1 8 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.770 -0.106 18834 3731 1 8 . 1 1 25 25 GLY H H 25 8.323 8.323 8.310 0.013 18834 3732 1 8 . 1 1 26 26 GLY N N 26 107.524 107.524 109.063 -1.539 18834 3733 1 8 . 1 1 26 26 GLY C C 26 176.306 176.306 175.077 1.229 18834 3734 1 8 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.721 -1.951 18834 3735 1 8 . 1 1 26 26 GLY H H 26 7.541 7.541 7.905 -0.364 18834 3736 1 8 . 1 1 27 27 VAL N N 27 116.903 116.903 124.582 -7.679 18834 3737 1 8 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.015 0.113 18834 3738 1 8 . 1 1 27 27 VAL C C 27 175.716 175.716 176.168 -0.452 18834 3739 1 8 . 1 1 27 27 VAL CA C 27 63.894 63.894 63.739 0.155 18834 3740 1 8 . 1 1 27 27 VAL CB C 27 31.963 31.963 31.342 0.621 18834 3741 1 8 . 1 1 27 27 VAL H H 27 8.055 8.055 8.120 -0.065 18834 3742 1 8 . 1 1 28 28 ASN N N 28 117.840 117.840 111.332 6.508 18834 3743 1 8 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.480 0.323 18834 3744 1 8 . 1 1 28 28 ASN C C 28 174.846 174.846 174.851 -0.005 18834 3745 1 8 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.142 -0.662 18834 3746 1 8 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.344 0.410 18834 3747 1 8 . 1 1 28 28 ASN H H 28 8.779 8.779 8.480 0.299 18834 3748 1 8 . 1 1 29 29 THR N N 29 111.408 111.408 111.148 0.260 18834 3749 1 8 . 1 1 29 29 THR HA H 29 4.690 4.690 4.185 0.505 18834 3750 1 8 . 1 1 29 29 THR CA C 29 61.624 61.624 62.115 -0.491 18834 3751 1 8 . 1 1 29 29 THR CB C 29 70.939 70.939 69.033 1.906 18834 3752 1 8 . 1 1 29 29 THR H H 29 7.857 7.857 7.564 0.292 18834 3753 1 8 . 1 1 30 30 SER N N 30 113.816 113.816 114.467 -0.651 18834 3754 1 8 . 1 1 30 30 SER HA H 30 4.537 4.537 4.064 0.473 18834 3755 1 8 . 1 1 30 30 SER C C 30 174.867 174.867 174.790 0.077 18834 3756 1 8 . 1 1 30 30 SER CA C 30 58.369 58.369 60.685 -2.316 18834 3757 1 8 . 1 1 30 30 SER CB C 30 63.547 63.547 62.578 0.969 18834 3758 1 8 . 1 1 30 30 SER H H 30 8.438 8.438 8.631 -0.193 18834 3759 1 8 . 1 1 31 31 VAL N N 31 118.013 118.013 116.768 1.245 18834 3760 1 8 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.716 0.382 18834 3761 1 8 . 1 1 31 31 VAL C C 31 176.528 176.528 176.816 -0.288 18834 3762 1 8 . 1 1 31 31 VAL CA C 31 62.070 62.070 62.581 -0.511 18834 3763 1 8 . 1 1 31 31 VAL CB C 31 32.507 32.507 31.964 0.543 18834 3764 1 8 . 1 1 31 31 VAL H H 31 7.567 7.567 7.425 0.142 18834 3765 1 8 . 1 1 32 32 ARG N N 32 124.719 124.719 126.644 -1.925 18834 3766 1 8 . 1 1 32 32 ARG HA H 32 4.007 4.007 4.013 -0.006 18834 3767 1 8 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.726 -0.717 18834 3768 1 8 . 1 1 32 32 ARG CB C 32 29.571 29.571 29.529 0.042 18834 3769 1 8 . 1 1 32 32 ARG H H 32 8.501 8.501 8.591 -0.090 18834 3770 1 8 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.465 0.112 18834 3771 1 8 . 1 1 33 33 HIS C C 33 175.064 175.064 175.588 -0.524 18834 3772 1 8 . 1 1 33 33 HIS CA C 33 56.814 56.814 56.332 0.482 18834 3773 1 8 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.961 -1.870 18834 3774 1 8 . 1 1 34 34 GLY N N 34 109.357 109.357 107.806 1.551 18834 3775 1 8 . 1 1 34 34 GLY C C 34 174.616 174.616 172.842 1.774 18834 3776 1 8 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.255 1.339 18834 3777 1 8 . 1 1 34 34 GLY H H 34 8.469 8.469 7.740 0.729 18834 3778 1 8 . 1 1 35 35 GLY N N 35 104.989 104.989 105.856 -0.867 18834 3779 1 8 . 1 1 35 35 GLY C C 35 170.518 170.518 173.458 -2.940 18834 3780 1 8 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.552 1.089 18834 3781 1 8 . 1 1 35 35 GLY H H 35 7.787 7.787 7.692 0.095 18834 3782 1 8 . 1 1 36 36 ILE N N 36 119.808 119.808 121.513 -1.705 18834 3783 1 8 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.809 -0.063 18834 3784 1 8 . 1 1 36 36 ILE C C 36 174.616 174.616 175.242 -0.626 18834 3785 1 8 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.128 -3.173 18834 3786 1 8 . 1 1 36 36 ILE CB C 36 35.618 35.618 37.479 -1.861 18834 3787 1 8 . 1 1 36 36 ILE H H 36 8.362 8.362 7.958 0.404 18834 3788 1 8 . 1 1 37 37 TYR N N 37 123.168 123.168 127.411 -4.243 18834 3789 1 8 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.932 0.336 18834 3790 1 8 . 1 1 37 37 TYR C C 37 176.069 176.069 176.495 -0.426 18834 3791 1 8 . 1 1 37 37 TYR CA C 37 55.959 55.959 56.269 -0.310 18834 3792 1 8 . 1 1 37 37 TYR CB C 37 42.436 42.436 41.014 1.422 18834 3793 1 8 . 1 1 37 37 TYR H H 37 8.904 8.904 9.082 -0.178 18834 3794 1 8 . 1 1 38 38 VAL N N 38 120.273 120.273 122.569 -2.296 18834 3795 1 8 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.077 -0.278 18834 3796 1 8 . 1 1 38 38 VAL C C 38 175.886 175.886 176.641 -0.755 18834 3797 1 8 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.861 1.223 18834 3798 1 8 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.853 0.591 18834 3799 1 8 . 1 1 38 38 VAL H H 38 9.230 9.230 9.167 0.063 18834 3800 1 8 . 1 1 39 39 LYS N N 39 133.619 133.619 130.503 3.116 18834 3801 1 8 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.168 0.221 18834 3802 1 8 . 1 1 39 39 LYS C C 39 174.763 174.763 175.739 -0.976 18834 3803 1 8 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.714 -1.178 18834 3804 1 8 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.161 1.378 18834 3805 1 8 . 1 1 39 39 LYS H H 39 9.584 9.584 8.538 1.046 18834 3806 1 8 . 1 1 40 40 ALA N N 40 117.459 117.459 117.914 -0.455 18834 3807 1 8 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.474 0.030 18834 3808 1 8 . 1 1 40 40 ALA C C 40 174.686 174.686 174.670 0.016 18834 3809 1 8 . 1 1 40 40 ALA CA C 40 51.897 51.897 52.061 -0.164 18834 3810 1 8 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.500 0.745 18834 3811 1 8 . 1 1 40 40 ALA H H 40 7.584 7.584 7.326 0.258 18834 3812 1 8 . 1 1 41 41 VAL N N 41 120.599 120.599 120.167 0.432 18834 3813 1 8 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.424 -0.045 18834 3814 1 8 . 1 1 41 41 VAL C C 41 175.714 175.714 175.553 0.161 18834 3815 1 8 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.411 -0.262 18834 3816 1 8 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.858 -2.352 18834 3817 1 8 . 1 1 41 41 VAL H H 41 8.747 8.747 8.481 0.266 18834 3818 1 8 . 1 1 42 42 ILE N N 42 127.775 127.775 123.822 3.953 18834 3819 1 8 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.626 -0.499 18834 3820 1 8 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.687 1.139 18834 3821 1 8 . 1 1 42 42 ILE CB C 42 38.216 38.216 36.959 1.257 18834 3822 1 8 . 1 1 42 42 ILE H H 42 7.827 7.827 8.609 -0.782 18834 3823 1 8 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.417 0.058 18834 3824 1 8 . 1 1 43 43 PRO C C 43 177.234 177.234 176.418 0.816 18834 3825 1 8 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.870 1.307 18834 3826 1 8 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.466 -0.665 18834 3827 1 8 . 1 1 44 44 GLN N N 44 116.932 116.932 112.501 4.431 18834 3828 1 8 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.994 -0.146 18834 3829 1 8 . 1 1 44 44 GLN C C 44 175.628 175.628 176.196 -0.568 18834 3830 1 8 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.636 0.504 18834 3831 1 8 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.419 -0.979 18834 3832 1 8 . 1 1 44 44 GLN H H 44 9.388 9.388 8.611 0.777 18834 3833 1 8 . 1 1 45 45 GLY N N 45 106.131 106.131 105.658 0.473 18834 3834 1 8 . 1 1 45 45 GLY C C 45 174.404 174.404 173.662 0.742 18834 3835 1 8 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.874 0.784 18834 3836 1 8 . 1 1 45 45 GLY H H 45 7.875 7.875 7.263 0.612 18834 3837 1 8 . 1 1 46 46 ALA N N 46 121.011 121.011 123.485 -2.474 18834 3838 1 8 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.006 0.045 18834 3839 1 8 . 1 1 46 46 ALA C C 46 180.673 180.673 179.024 1.649 18834 3840 1 8 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.589 -0.544 18834 3841 1 8 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.502 0.006 18834 3842 1 8 . 1 1 46 46 ALA H H 46 9.017 9.017 8.945 0.072 18834 3843 1 8 . 1 1 47 47 ALA N N 47 118.848 118.848 121.516 -2.668 18834 3844 1 8 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.887 0.181 18834 3845 1 8 . 1 1 47 47 ALA C C 47 180.699 180.699 179.728 0.971 18834 3846 1 8 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.153 -0.236 18834 3847 1 8 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.938 0.692 18834 3848 1 8 . 1 1 47 47 ALA H H 47 7.754 7.754 8.198 -0.444 18834 3849 1 8 . 1 1 48 48 GLU N N 48 124.400 124.400 119.225 5.175 18834 3850 1 8 . 1 1 48 48 GLU HA H 48 3.823 3.823 3.993 -0.170 18834 3851 1 8 . 1 1 48 48 GLU C C 48 178.174 178.174 178.895 -0.721 18834 3852 1 8 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.547 1.362 18834 3853 1 8 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.273 0.486 18834 3854 1 8 . 1 1 48 48 GLU H H 48 9.317 9.317 8.527 0.790 18834 3855 1 8 . 1 1 49 49 SER N N 49 113.388 113.388 114.029 -0.641 18834 3856 1 8 . 1 1 49 49 SER HA H 49 4.100 4.100 4.208 -0.108 18834 3857 1 8 . 1 1 49 49 SER C C 49 175.693 175.693 176.415 -0.722 18834 3858 1 8 . 1 1 49 49 SER CA C 49 61.233 61.233 60.656 0.577 18834 3859 1 8 . 1 1 49 49 SER CB C 49 62.780 62.780 63.351 -0.571 18834 3860 1 8 . 1 1 49 49 SER H H 49 8.115 8.115 8.370 -0.255 18834 3861 1 8 . 1 1 50 50 ASP N N 50 120.047 120.047 119.742 0.305 18834 3862 1 8 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.605 -0.227 18834 3863 1 8 . 1 1 50 50 ASP C C 50 177.650 177.650 177.200 0.450 18834 3864 1 8 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.141 3.073 18834 3865 1 8 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.863 2.378 18834 3866 1 8 . 1 1 50 50 ASP H H 50 7.609 7.609 8.126 -0.517 18834 3867 1 8 . 1 1 51 51 GLY N N 51 102.979 102.979 107.515 -4.536 18834 3868 1 8 . 1 1 51 51 GLY C C 51 174.977 174.977 174.674 0.303 18834 3869 1 8 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.677 0.675 18834 3870 1 8 . 1 1 51 51 GLY H H 51 7.372 7.372 8.056 -0.684 18834 3871 1 8 . 1 1 52 52 ARG N N 52 117.579 117.579 118.117 -0.538 18834 3872 1 8 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.443 -0.129 18834 3873 1 8 . 1 1 52 52 ARG C C 52 175.886 175.886 175.491 0.395 18834 3874 1 8 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.804 2.090 18834 3875 1 8 . 1 1 52 52 ARG CB C 52 33.246 33.246 30.874 2.372 18834 3876 1 8 . 1 1 52 52 ARG H H 52 7.966 7.966 7.826 0.140 18834 3877 1 8 . 1 1 53 53 ILE N N 53 120.155 120.155 118.164 1.991 18834 3878 1 8 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.237 -0.001 18834 3879 1 8 . 1 1 53 53 ILE C C 53 173.773 173.773 173.244 0.529 18834 3880 1 8 . 1 1 53 53 ILE CA C 53 61.405 61.405 59.781 1.624 18834 3881 1 8 . 1 1 53 53 ILE CB C 53 39.641 39.641 42.319 -2.678 18834 3882 1 8 . 1 1 53 53 ILE H H 53 8.225 8.225 7.295 0.930 18834 3883 1 8 . 1 1 54 54 HIS N N 54 123.751 123.751 121.375 2.376 18834 3884 1 8 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.918 -0.128 18834 3885 1 8 . 1 1 54 54 HIS C C 54 173.696 173.696 174.824 -1.128 18834 3886 1 8 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.463 0.381 18834 3887 1 8 . 1 1 54 54 HIS CB C 54 33.566 33.566 33.480 0.086 18834 3888 1 8 . 1 1 54 54 HIS H H 54 9.061 9.061 8.450 0.611 18834 3889 1 8 . 1 1 55 55 LYS N N 55 120.590 120.590 120.826 -0.236 18834 3890 1 8 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.154 -0.528 18834 3891 1 8 . 1 1 55 55 LYS C C 55 176.916 176.916 177.646 -0.730 18834 3892 1 8 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.610 0.694 18834 3893 1 8 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.625 -0.204 18834 3894 1 8 . 1 1 55 55 LYS H H 55 8.670 8.670 8.561 0.109 18834 3895 1 8 . 1 1 56 56 GLY N N 56 114.645 114.645 113.116 1.529 18834 3896 1 8 . 1 1 56 56 GLY C C 56 174.438 174.438 174.465 -0.027 18834 3897 1 8 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.968 -0.206 18834 3898 1 8 . 1 1 56 56 GLY H H 56 9.201 9.201 9.222 -0.021 18834 3899 1 8 . 1 1 57 57 ASP N N 57 121.982 121.982 122.939 -0.957 18834 3900 1 8 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.573 0.314 18834 3901 1 8 . 1 1 57 57 ASP C C 57 174.623 174.623 174.570 0.053 18834 3902 1 8 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.322 0.514 18834 3903 1 8 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.217 -0.134 18834 3904 1 8 . 1 1 57 57 ASP H H 57 8.058 8.058 7.566 0.492 18834 3905 1 8 . 1 1 58 58 ARG N N 58 123.240 123.240 121.222 2.018 18834 3906 1 8 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.681 -0.066 18834 3907 1 8 . 1 1 58 58 ARG C C 58 175.573 175.573 174.521 1.052 18834 3908 1 8 . 1 1 58 58 ARG CA C 58 54.521 54.521 53.887 0.634 18834 3909 1 8 . 1 1 58 58 ARG CB C 58 33.701 33.701 32.745 0.956 18834 3910 1 8 . 1 1 58 58 ARG H H 58 9.078 9.078 8.777 0.301 18834 3911 1 8 . 1 1 59 59 VAL N N 59 126.202 126.202 126.035 0.167 18834 3912 1 8 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.284 -0.421 18834 3913 1 8 . 1 1 59 59 VAL C C 59 174.458 174.458 175.269 -0.811 18834 3914 1 8 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.908 -0.705 18834 3915 1 8 . 1 1 59 59 VAL CB C 59 30.998 30.998 31.825 -0.827 18834 3916 1 8 . 1 1 59 59 VAL H H 59 8.897 8.897 8.880 0.017 18834 3917 1 8 . 1 1 60 60 LEU N N 60 127.163 127.163 128.203 -1.040 18834 3918 1 8 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.363 -0.067 18834 3919 1 8 . 1 1 60 60 LEU C C 60 178.289 178.289 176.360 1.929 18834 3920 1 8 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.319 -0.265 18834 3921 1 8 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.942 -0.330 18834 3922 1 8 . 1 1 60 60 LEU H H 60 9.213 9.213 8.645 0.568 18834 3923 1 8 . 1 1 61 61 ALA N N 61 118.886 118.886 117.293 1.593 18834 3924 1 8 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.010 -0.056 18834 3925 1 8 . 1 1 61 61 ALA C C 61 175.288 175.288 175.300 -0.012 18834 3926 1 8 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.450 1.829 18834 3927 1 8 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.334 -0.238 18834 3928 1 8 . 1 1 61 61 ALA H H 61 7.741 7.741 7.287 0.454 18834 3929 1 8 . 1 1 62 62 VAL N N 62 119.929 119.929 120.360 -0.431 18834 3930 1 8 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.241 0.209 18834 3931 1 8 . 1 1 62 62 VAL C C 62 175.323 175.323 175.958 -0.635 18834 3932 1 8 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.866 -0.448 18834 3933 1 8 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.106 0.944 18834 3934 1 8 . 1 1 62 62 VAL H H 62 8.256 8.256 8.028 0.228 18834 3935 1 8 . 1 1 63 63 ASN N N 63 128.933 128.933 126.705 2.228 18834 3936 1 8 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.406 0.139 18834 3937 1 8 . 1 1 63 63 ASN C C 63 175.197 175.197 175.538 -0.341 18834 3938 1 8 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.521 -0.353 18834 3939 1 8 . 1 1 63 63 ASN CB C 63 36.896 36.896 38.053 -1.157 18834 3940 1 8 . 1 1 63 63 ASN H H 63 10.392 10.392 8.880 1.512 18834 3941 1 8 . 1 1 64 64 GLY N N 64 103.413 103.413 102.771 0.642 18834 3942 1 8 . 1 1 64 64 GLY C C 64 173.872 173.872 174.249 -0.377 18834 3943 1 8 . 1 1 64 64 GLY CA C 64 45.171 45.171 44.886 0.285 18834 3944 1 8 . 1 1 64 64 GLY H H 64 9.085 9.085 8.030 1.055 18834 3945 1 8 . 1 1 65 65 VAL N N 65 123.643 123.643 124.965 -1.322 18834 3946 1 8 . 1 1 65 65 VAL HA H 65 3.948 3.948 3.964 -0.016 18834 3947 1 8 . 1 1 65 65 VAL C C 65 175.645 175.645 175.729 -0.084 18834 3948 1 8 . 1 1 65 65 VAL CA C 65 62.136 62.136 62.510 -0.374 18834 3949 1 8 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.749 -0.109 18834 3950 1 8 . 1 1 65 65 VAL H H 65 8.028 8.028 7.801 0.227 18834 3951 1 8 . 1 1 66 66 SER N N 66 120.923 120.923 124.450 -3.527 18834 3952 1 8 . 1 1 66 66 SER HA H 66 4.334 4.334 4.221 0.113 18834 3953 1 8 . 1 1 66 66 SER C C 66 176.388 176.388 173.968 2.420 18834 3954 1 8 . 1 1 66 66 SER CA C 66 58.342 58.342 59.683 -1.341 18834 3955 1 8 . 1 1 66 66 SER CB C 66 63.562 63.562 63.145 0.417 18834 3956 1 8 . 1 1 66 66 SER H H 66 8.647 8.647 8.716 -0.069 18834 3957 1 8 . 1 1 67 67 LEU N N 67 125.116 125.116 126.466 -1.350 18834 3958 1 8 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.595 -0.157 18834 3959 1 8 . 1 1 67 67 LEU C C 67 176.462 176.462 176.179 0.283 18834 3960 1 8 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.139 -0.407 18834 3961 1 8 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.640 -1.750 18834 3962 1 8 . 1 1 67 67 LEU H H 67 8.292 8.292 8.035 0.257 18834 3963 1 8 . 1 1 68 68 GLU N N 68 123.552 123.552 118.843 4.709 18834 3964 1 8 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.044 -0.009 18834 3965 1 8 . 1 1 68 68 GLU C C 68 177.767 177.767 177.069 0.698 18834 3966 1 8 . 1 1 68 68 GLU CA C 68 58.571 58.571 57.263 1.308 18834 3967 1 8 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.258 -0.206 18834 3968 1 8 . 1 1 68 68 GLU H H 68 8.305 8.305 7.885 0.420 18834 3969 1 8 . 1 1 69 69 GLY N N 69 115.496 115.496 113.111 2.385 18834 3970 1 8 . 1 1 69 69 GLY C C 69 173.618 173.618 174.018 -0.400 18834 3971 1 8 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.770 0.626 18834 3972 1 8 . 1 1 69 69 GLY H H 69 8.977 8.977 8.595 0.382 18834 3973 1 8 . 1 1 70 70 ALA N N 70 121.999 121.999 124.723 -2.724 18834 3974 1 8 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.633 -0.131 18834 3975 1 8 . 1 1 70 70 ALA C C 70 179.820 179.820 177.067 2.753 18834 3976 1 8 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.472 0.943 18834 3977 1 8 . 1 1 70 70 ALA CB C 70 19.638 19.638 20.644 -1.006 18834 3978 1 8 . 1 1 70 70 ALA H H 70 7.807 7.807 7.890 -0.083 18834 3979 1 8 . 1 1 71 71 THR N N 71 111.294 111.294 113.932 -2.638 18834 3980 1 8 . 1 1 71 71 THR HA H 71 4.515 4.515 4.474 0.041 18834 3981 1 8 . 1 1 71 71 THR C C 71 174.717 174.717 176.409 -1.692 18834 3982 1 8 . 1 1 71 71 THR CA C 71 60.692 60.692 60.910 -0.218 18834 3983 1 8 . 1 1 71 71 THR CB C 71 71.274 71.274 70.653 0.621 18834 3984 1 8 . 1 1 71 71 THR H H 71 8.222 8.222 8.612 -0.390 18834 3985 1 8 . 1 1 72 72 HIS N N 72 121.871 121.871 118.624 3.247 18834 3986 1 8 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.285 -0.425 18834 3987 1 8 . 1 1 72 72 HIS C C 72 176.702 176.702 177.450 -0.748 18834 3988 1 8 . 1 1 72 72 HIS CA C 72 61.983 61.983 59.598 2.385 18834 3989 1 8 . 1 1 72 72 HIS CB C 72 30.047 30.047 29.131 0.916 18834 3990 1 8 . 1 1 72 72 HIS H H 72 9.217 9.217 8.955 0.262 18834 3991 1 8 . 1 1 73 73 LYS N N 73 116.941 116.941 119.732 -2.791 18834 3992 1 8 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.725 0.099 18834 3993 1 8 . 1 1 73 73 LYS C C 73 178.288 178.288 179.040 -0.752 18834 3994 1 8 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.541 -0.191 18834 3995 1 8 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.696 1.115 18834 3996 1 8 . 1 1 73 73 LYS H H 73 8.429 8.429 7.327 1.102 18834 3997 1 8 . 1 1 74 74 GLN N N 74 116.915 116.915 118.331 -1.416 18834 3998 1 8 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.942 -0.073 18834 3999 1 8 . 1 1 74 74 GLN C C 74 179.732 179.732 178.564 1.168 18834 4000 1 8 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.615 -0.016 18834 4001 1 8 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.420 -0.069 18834 4002 1 8 . 1 1 74 74 GLN H H 74 7.660 7.660 7.672 -0.012 18834 4003 1 8 . 1 1 75 75 ALA N N 75 122.673 122.673 121.687 0.986 18834 4004 1 8 . 1 1 75 75 ALA HA H 75 3.788 3.788 4.014 -0.226 18834 4005 1 8 . 1 1 75 75 ALA C C 75 179.078 179.078 179.303 -0.225 18834 4006 1 8 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.345 0.221 18834 4007 1 8 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.297 0.554 18834 4008 1 8 . 1 1 75 75 ALA H H 75 8.379 8.379 8.102 0.277 18834 4009 1 8 . 1 1 76 76 VAL N N 76 112.831 112.831 118.398 -5.567 18834 4010 1 8 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.714 -0.209 18834 4011 1 8 . 1 1 76 76 VAL CA C 76 65.895 65.895 66.192 -0.297 18834 4012 1 8 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.512 -0.821 18834 4013 1 8 . 1 1 76 76 VAL H H 76 8.239 8.239 7.510 0.729 18834 4014 1 8 . 1 1 77 77 CYS C C 77 177.150 177.150 177.437 -0.287 18834 4015 1 8 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.874 -3.483 18834 4016 1 8 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.452 10.330 18834 4017 1 8 . 1 1 78 78 THR N N 78 117.507 117.507 116.996 0.511 18834 4018 1 8 . 1 1 78 78 THR HA H 78 3.858 3.858 4.017 -0.159 18834 4019 1 8 . 1 1 78 78 THR C C 78 176.460 176.460 175.844 0.616 18834 4020 1 8 . 1 1 78 78 THR CA C 78 67.123 67.123 66.467 0.656 18834 4021 1 8 . 1 1 78 78 THR CB C 78 68.123 68.123 68.730 -0.607 18834 4022 1 8 . 1 1 78 78 THR H H 78 8.015 8.015 8.164 -0.149 18834 4023 1 8 . 1 1 79 79 LEU N N 79 119.666 119.666 120.233 -0.567 18834 4024 1 8 . 1 1 79 79 LEU HA H 79 3.750 3.750 3.984 -0.234 18834 4025 1 8 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.833 0.357 18834 4026 1 8 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.709 0.363 18834 4027 1 8 . 1 1 79 79 LEU H H 79 7.984 7.984 7.695 0.289 18834 4028 1 8 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.082 0.115 18834 4029 1 8 . 1 1 80 80 ARG C C 80 177.750 177.750 178.621 -0.871 18834 4030 1 8 . 1 1 80 80 ARG CA C 80 58.307 58.307 58.440 -0.133 18834 4031 1 8 . 1 1 80 80 ARG CB C 80 30.092 30.092 29.943 0.149 18834 4032 1 8 . 1 1 81 81 ASN N N 81 119.843 119.843 119.180 0.663 18834 4033 1 8 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.639 0.345 18834 4034 1 8 . 1 1 81 81 ASN C C 81 174.819 174.819 175.090 -0.271 18834 4035 1 8 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.745 -0.631 18834 4036 1 8 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.148 0.520 18834 4037 1 8 . 1 1 81 81 ASN H H 81 7.648 7.648 8.057 -0.409 18834 4038 1 8 . 1 1 82 82 THR N N 82 109.907 109.907 111.266 -1.359 18834 4039 1 8 . 1 1 82 82 THR HA H 82 4.447 4.447 4.663 -0.216 18834 4040 1 8 . 1 1 82 82 THR C C 82 175.114 175.114 174.130 0.984 18834 4041 1 8 . 1 1 82 82 THR CA C 82 59.944 59.944 60.464 -0.520 18834 4042 1 8 . 1 1 82 82 THR CB C 82 72.611 72.611 71.794 0.817 18834 4043 1 8 . 1 1 82 82 THR H H 82 7.668 7.668 7.765 -0.097 18834 4044 1 8 . 1 1 83 83 GLY N N 83 109.505 109.505 106.460 3.045 18834 4045 1 8 . 1 1 83 83 GLY C C 83 173.467 173.467 174.928 -1.461 18834 4046 1 8 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.164 -0.072 18834 4047 1 8 . 1 1 83 83 GLY H H 83 8.421 8.421 8.364 0.057 18834 4048 1 8 . 1 1 84 84 GLN N N 84 117.276 117.276 119.005 -1.729 18834 4049 1 8 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.134 -0.171 18834 4050 1 8 . 1 1 84 84 GLN C C 84 175.254 175.254 175.794 -0.540 18834 4051 1 8 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.361 0.083 18834 4052 1 8 . 1 1 84 84 GLN CB C 84 28.973 28.973 28.870 0.103 18834 4053 1 8 . 1 1 84 84 GLN H H 84 8.224 8.224 8.503 -0.279 18834 4054 1 8 . 1 1 85 85 VAL N N 85 116.186 116.186 116.989 -0.803 18834 4055 1 8 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.430 0.224 18834 4056 1 8 . 1 1 85 85 VAL C C 85 175.879 175.879 175.296 0.583 18834 4057 1 8 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.891 -0.593 18834 4058 1 8 . 1 1 85 85 VAL CB C 85 33.130 33.130 32.925 0.205 18834 4059 1 8 . 1 1 85 85 VAL H H 85 7.699 7.699 7.699 0.000 18834 4060 1 8 . 1 1 86 86 VAL N N 86 128.499 128.499 125.658 2.841 18834 4061 1 8 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.379 0.068 18834 4062 1 8 . 1 1 86 86 VAL C C 86 173.365 173.365 174.625 -1.260 18834 4063 1 8 . 1 1 86 86 VAL CA C 86 60.965 60.965 60.867 0.098 18834 4064 1 8 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.639 1.348 18834 4065 1 8 . 1 1 86 86 VAL H H 86 9.043 9.043 9.182 -0.140 18834 4066 1 8 . 1 1 87 87 HIS N N 87 126.357 126.357 125.108 1.249 18834 4067 1 8 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.638 -0.642 18834 4068 1 8 . 1 1 87 87 HIS C C 87 174.387 174.387 174.612 -0.225 18834 4069 1 8 . 1 1 87 87 HIS CA C 87 55.802 55.802 53.896 1.906 18834 4070 1 8 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.375 -0.196 18834 4071 1 8 . 1 1 87 87 HIS H H 87 8.855 8.855 8.751 0.104 18834 4072 1 8 . 1 1 88 88 LEU N N 88 126.780 126.780 119.996 6.784 18834 4073 1 8 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.964 -0.004 18834 4074 1 8 . 1 1 88 88 LEU C C 88 173.365 173.365 174.332 -0.967 18834 4075 1 8 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.948 -0.454 18834 4076 1 8 . 1 1 88 88 LEU CB C 88 45.187 45.187 44.879 0.308 18834 4077 1 8 . 1 1 88 88 LEU H H 88 9.016 9.016 8.104 0.912 18834 4078 1 8 . 1 1 89 89 LEU N N 89 124.435 124.435 122.939 1.496 18834 4079 1 8 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.744 -0.023 18834 4080 1 8 . 1 1 89 89 LEU C C 89 175.213 175.213 176.405 -1.192 18834 4081 1 8 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.423 -0.762 18834 4082 1 8 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.226 3.165 18834 4083 1 8 . 1 1 89 89 LEU H H 89 7.965 7.965 7.982 -0.017 18834 4084 1 8 . 1 1 90 90 LEU N N 90 127.444 127.444 121.668 5.776 18834 4085 1 8 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.026 0.257 18834 4086 1 8 . 1 1 90 90 LEU C C 90 173.560 173.560 175.682 -2.122 18834 4087 1 8 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.196 1.892 18834 4088 1 8 . 1 1 90 90 LEU CB C 90 45.956 45.956 43.049 2.907 18834 4089 1 8 . 1 1 90 90 LEU H H 90 8.909 8.909 8.642 0.267 18834 4090 1 8 . 1 1 91 91 GLU N N 91 118.954 118.954 120.620 -1.666 18834 4091 1 8 . 1 1 91 91 GLU HA H 91 5.062 5.062 4.990 0.072 18834 4092 1 8 . 1 1 91 91 GLU C C 91 176.652 176.652 176.007 0.645 18834 4093 1 8 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.088 -0.301 18834 4094 1 8 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.354 0.492 18834 4095 1 8 . 1 1 91 91 GLU H H 91 8.813 8.813 9.111 -0.298 18834 4096 1 8 . 1 1 92 92 LYS N N 92 129.055 129.055 126.574 2.481 18834 4097 1 8 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.500 -0.113 18834 4098 1 8 . 1 1 92 92 LYS C C 92 178.000 178.000 177.105 0.895 18834 4099 1 8 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.911 -0.649 18834 4100 1 8 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.512 -0.441 18834 4101 1 8 . 1 1 92 92 LYS H H 92 9.362 9.362 8.885 0.477 18834 4102 1 8 . 1 1 93 93 GLY N N 93 117.893 117.893 108.825 9.068 18834 4103 1 8 . 1 1 93 93 GLY C C 93 173.147 173.147 173.293 -0.146 18834 4104 1 8 . 1 1 93 93 GLY CA C 93 45.173 45.173 43.540 1.633 18834 4105 1 8 . 1 1 93 93 GLY H H 93 9.698 9.698 9.060 0.638 18834 4106 1 8 . 1 1 94 94 GLN N N 94 116.797 116.797 116.186 0.611 18834 4107 1 8 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.045 0.217 18834 4108 1 8 . 1 1 94 94 GLN C C 94 175.942 175.942 174.570 1.372 18834 4109 1 8 . 1 1 94 94 GLN CA C 94 55.514 55.514 56.385 -0.871 18834 4110 1 8 . 1 1 94 94 GLN CB C 94 29.688 29.688 27.932 1.756 18834 4111 1 8 . 1 1 94 94 GLN H H 94 8.252 8.252 8.816 -0.564 18834 4112 1 8 . 1 1 95 95 SER N N 95 118.117 118.117 114.318 3.799 18834 4113 1 8 . 1 1 95 95 SER HA H 95 4.658 4.658 4.803 -0.145 18834 4114 1 8 . 1 1 95 95 SER CA C 95 56.588 56.588 55.642 0.946 18834 4115 1 8 . 1 1 95 95 SER CB C 95 63.194 63.194 64.089 -0.895 18834 4116 1 8 . 1 1 95 95 SER H H 95 8.377 8.377 8.152 0.225 18834 4117 1 8 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.454 0.023 18834 4118 1 8 . 1 1 96 96 PRO C C 96 176.291 176.291 175.966 0.325 18834 4119 1 8 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.881 0.630 18834 4120 1 8 . 1 1 96 96 PRO CB C 96 31.953 31.953 31.409 0.544 18834 4121 1 9 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.876 -0.402 18834 4122 1 9 . 1 1 2 2 PRO C C 2 175.857 175.857 175.528 0.329 18834 4123 1 9 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.984 -0.142 18834 4124 1 9 . 1 1 2 2 PRO CB C 2 32.268 32.268 33.123 -0.855 18834 4125 1 9 . 1 1 3 3 LYS N N 3 124.698 124.698 118.845 5.853 18834 4126 1 9 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.687 -0.097 18834 4127 1 9 . 1 1 3 3 LYS CA C 3 53.618 53.618 53.580 0.038 18834 4128 1 9 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.221 -0.665 18834 4129 1 9 . 1 1 3 3 LYS H H 3 8.952 8.952 8.229 0.723 18834 4130 1 9 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.132 -0.188 18834 4131 1 9 . 1 1 4 4 PRO C C 4 177.504 177.504 177.385 0.119 18834 4132 1 9 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.112 0.432 18834 4133 1 9 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.756 0.014 18834 4134 1 9 . 1 1 5 5 GLY N N 5 113.728 113.728 112.155 1.573 18834 4135 1 9 . 1 1 5 5 GLY C C 5 174.146 174.146 173.964 0.182 18834 4136 1 9 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.724 0.310 18834 4137 1 9 . 1 1 5 5 GLY H H 5 9.011 9.011 8.565 0.446 18834 4138 1 9 . 1 1 6 6 ASP N N 6 121.776 121.776 121.223 0.553 18834 4139 1 9 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.751 -0.081 18834 4140 1 9 . 1 1 6 6 ASP C C 6 175.673 175.673 175.532 0.141 18834 4141 1 9 . 1 1 6 6 ASP CA C 6 54.918 54.918 53.916 1.002 18834 4142 1 9 . 1 1 6 6 ASP CB C 6 41.446 41.446 42.345 -0.899 18834 4143 1 9 . 1 1 6 6 ASP H H 6 8.468 8.468 7.663 0.805 18834 4144 1 9 . 1 1 7 7 ILE N N 7 121.570 121.570 123.117 -1.547 18834 4145 1 9 . 1 1 7 7 ILE HA H 7 5.331 5.331 5.018 0.313 18834 4146 1 9 . 1 1 7 7 ILE C C 7 176.824 176.824 175.896 0.928 18834 4147 1 9 . 1 1 7 7 ILE CA C 7 59.601 59.601 60.280 -0.679 18834 4148 1 9 . 1 1 7 7 ILE CB C 7 38.254 38.254 39.488 -1.234 18834 4149 1 9 . 1 1 7 7 ILE H H 7 8.362 8.362 8.333 0.029 18834 4150 1 9 . 1 1 8 8 PHE N N 8 125.816 125.816 125.300 0.516 18834 4151 1 9 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.089 -0.017 18834 4152 1 9 . 1 1 8 8 PHE C C 8 171.149 171.149 173.594 -2.445 18834 4153 1 9 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.135 0.394 18834 4154 1 9 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.448 -0.136 18834 4155 1 9 . 1 1 8 8 PHE H H 8 9.476 9.476 8.898 0.578 18834 4156 1 9 . 1 1 9 9 GLU N N 9 118.961 118.961 120.962 -2.001 18834 4157 1 9 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.387 0.826 18834 4158 1 9 . 1 1 9 9 GLU C C 9 175.995 175.995 175.817 0.178 18834 4159 1 9 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.397 -1.407 18834 4160 1 9 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.130 2.299 18834 4161 1 9 . 1 1 9 9 GLU H H 9 8.490 8.490 8.532 -0.042 18834 4162 1 9 . 1 1 10 10 VAL N N 10 119.964 119.964 118.169 1.795 18834 4163 1 9 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.638 -0.501 18834 4164 1 9 . 1 1 10 10 VAL C C 10 173.221 173.221 174.163 -0.942 18834 4165 1 9 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.889 1.202 18834 4166 1 9 . 1 1 10 10 VAL CB C 10 36.766 36.766 36.135 0.631 18834 4167 1 9 . 1 1 10 10 VAL H H 10 8.577 8.577 7.973 0.604 18834 4168 1 9 . 1 1 11 11 GLU N N 11 126.219 126.219 122.683 3.536 18834 4169 1 9 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.179 -0.224 18834 4170 1 9 . 1 1 11 11 GLU C C 11 174.538 174.538 175.355 -0.817 18834 4171 1 9 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.629 0.233 18834 4172 1 9 . 1 1 11 11 GLU CB C 11 30.836 30.836 31.130 -0.294 18834 4173 1 9 . 1 1 11 11 GLU H H 11 7.794 7.794 8.371 -0.577 18834 4174 1 9 . 1 1 12 12 LEU N N 12 126.212 126.212 125.002 1.210 18834 4175 1 9 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.669 -0.023 18834 4176 1 9 . 1 1 12 12 LEU C C 12 173.916 173.916 174.808 -0.892 18834 4177 1 9 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.836 -0.699 18834 4178 1 9 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.863 -0.737 18834 4179 1 9 . 1 1 12 12 LEU H H 12 8.848 8.848 8.487 0.361 18834 4180 1 9 . 1 1 13 13 ALA N N 13 126.357 126.357 124.260 2.097 18834 4181 1 9 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.759 0.336 18834 4182 1 9 . 1 1 13 13 ALA C C 13 177.352 177.352 177.042 0.310 18834 4183 1 9 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.386 -1.466 18834 4184 1 9 . 1 1 13 13 ALA CB C 13 19.377 19.377 20.174 -0.797 18834 4185 1 9 . 1 1 13 13 ALA H H 13 8.494 8.494 8.382 0.112 18834 4186 1 9 . 1 1 14 14 LYS N N 14 120.000 120.000 120.286 -0.286 18834 4187 1 9 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.194 -0.442 18834 4188 1 9 . 1 1 14 14 LYS C C 14 176.313 176.313 175.922 0.391 18834 4189 1 9 . 1 1 14 14 LYS CA C 14 57.762 57.762 56.563 1.199 18834 4190 1 9 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.306 1.163 18834 4191 1 9 . 1 1 14 14 LYS H H 14 8.496 8.496 8.291 0.205 18834 4192 1 9 . 1 1 15 15 ASN N N 15 117.473 117.473 116.708 0.765 18834 4193 1 9 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.406 0.511 18834 4194 1 9 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.505 -1.018 18834 4195 1 9 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.311 2.373 18834 4196 1 9 . 1 1 15 15 ASN H H 15 8.079 8.079 8.035 0.044 18834 4197 1 9 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.195 0.064 18834 4198 1 9 . 1 1 16 16 ASP C C 16 175.515 175.515 176.164 -0.649 18834 4199 1 9 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.474 0.046 18834 4200 1 9 . 1 1 16 16 ASP CB C 16 39.303 39.303 40.094 -0.791 18834 4201 1 9 . 1 1 17 17 ASN N N 17 110.160 110.160 112.729 -2.569 18834 4202 1 9 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.232 -0.000 18834 4203 1 9 . 1 1 17 17 ASN C C 17 174.550 174.550 174.126 0.424 18834 4204 1 9 . 1 1 17 17 ASN CA C 17 54.349 54.349 54.849 -0.499 18834 4205 1 9 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.502 -0.047 18834 4206 1 9 . 1 1 17 17 ASN H H 17 8.959 8.959 8.875 0.084 18834 4207 1 9 . 1 1 18 18 SER N N 18 112.013 112.013 114.781 -2.768 18834 4208 1 9 . 1 1 18 18 SER HA H 18 4.976 4.976 4.788 0.188 18834 4209 1 9 . 1 1 18 18 SER CA C 18 56.519 56.519 57.814 -1.295 18834 4210 1 9 . 1 1 18 18 SER CB C 18 65.053 65.053 64.302 0.752 18834 4211 1 9 . 1 1 18 18 SER H H 18 7.892 7.892 7.722 0.170 18834 4212 1 9 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.533 -0.277 18834 4213 1 9 . 1 1 19 19 LEU C C 19 176.996 176.996 177.549 -0.553 18834 4214 1 9 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.342 1.603 18834 4215 1 9 . 1 1 19 19 LEU CB C 19 43.178 43.178 43.294 -0.116 18834 4216 1 9 . 1 1 20 20 GLY N N 20 105.651 105.651 106.958 -1.307 18834 4217 1 9 . 1 1 20 20 GLY C C 20 176.218 176.218 173.691 2.527 18834 4218 1 9 . 1 1 20 20 GLY CA C 20 46.868 46.868 44.990 1.878 18834 4219 1 9 . 1 1 20 20 GLY H H 20 8.804 8.804 8.359 0.445 18834 4220 1 9 . 1 1 21 21 ILE N N 21 115.348 115.348 117.408 -2.060 18834 4221 1 9 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.419 0.423 18834 4222 1 9 . 1 1 21 21 ILE C C 21 175.987 175.987 174.619 1.368 18834 4223 1 9 . 1 1 21 21 ILE CA C 21 59.795 59.795 58.546 1.249 18834 4224 1 9 . 1 1 21 21 ILE CB C 21 42.334 42.334 38.407 3.927 18834 4225 1 9 . 1 1 21 21 ILE H H 21 7.775 7.775 7.338 0.437 18834 4226 1 9 . 1 1 22 22 CYS N N 22 123.503 123.503 120.578 2.925 18834 4227 1 9 . 1 1 22 22 CYS C C 22 176.187 176.187 173.955 2.232 18834 4228 1 9 . 1 1 22 22 CYS CA C 22 53.779 53.779 57.789 -4.010 18834 4229 1 9 . 1 1 22 22 CYS CB C 22 36.527 36.527 29.488 7.039 18834 4230 1 9 . 1 1 22 22 CYS H H 22 8.533 8.533 8.394 0.139 18834 4231 1 9 . 1 1 23 23 VAL N N 23 114.882 114.882 119.144 -4.262 18834 4232 1 9 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.426 0.022 18834 4233 1 9 . 1 1 23 23 VAL C C 23 174.219 174.219 174.392 -0.173 18834 4234 1 9 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.254 -0.832 18834 4235 1 9 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.590 -0.496 18834 4236 1 9 . 1 1 23 23 VAL H H 23 7.720 7.720 8.444 -0.724 18834 4237 1 9 . 1 1 24 24 THR N N 24 115.462 115.462 113.529 1.933 18834 4238 1 9 . 1 1 24 24 THR HA H 24 4.691 4.691 4.581 0.110 18834 4239 1 9 . 1 1 24 24 THR C C 24 171.649 171.649 173.305 -1.656 18834 4240 1 9 . 1 1 24 24 THR CA C 24 59.560 59.560 61.151 -1.591 18834 4241 1 9 . 1 1 24 24 THR CB C 24 70.573 70.573 70.864 -0.291 18834 4242 1 9 . 1 1 24 24 THR H H 24 9.175 9.175 8.128 1.047 18834 4243 1 9 . 1 1 25 25 GLY N N 25 111.734 111.734 110.827 0.907 18834 4244 1 9 . 1 1 25 25 GLY C C 25 174.216 174.216 173.630 0.586 18834 4245 1 9 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.814 -0.150 18834 4246 1 9 . 1 1 25 25 GLY H H 25 8.323 8.323 8.318 0.005 18834 4247 1 9 . 1 1 26 26 GLY N N 26 107.524 107.524 107.706 -0.182 18834 4248 1 9 . 1 1 26 26 GLY C C 26 176.306 176.306 174.666 1.640 18834 4249 1 9 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.437 -1.667 18834 4250 1 9 . 1 1 26 26 GLY H H 26 7.541 7.541 7.892 -0.351 18834 4251 1 9 . 1 1 27 27 VAL N N 27 116.903 116.903 123.169 -6.266 18834 4252 1 9 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.237 -0.109 18834 4253 1 9 . 1 1 27 27 VAL C C 27 175.716 175.716 176.671 -0.955 18834 4254 1 9 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.797 1.097 18834 4255 1 9 . 1 1 27 27 VAL CB C 27 31.963 31.963 30.400 1.563 18834 4256 1 9 . 1 1 27 27 VAL H H 27 8.055 8.055 8.365 -0.310 18834 4257 1 9 . 1 1 28 28 ASN N N 28 117.840 117.840 112.287 5.553 18834 4258 1 9 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.493 0.310 18834 4259 1 9 . 1 1 28 28 ASN C C 28 174.846 174.846 174.927 -0.081 18834 4260 1 9 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.258 -0.778 18834 4261 1 9 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.076 0.678 18834 4262 1 9 . 1 1 28 28 ASN H H 28 8.779 8.779 8.512 0.267 18834 4263 1 9 . 1 1 29 29 THR N N 29 111.408 111.408 110.632 0.776 18834 4264 1 9 . 1 1 29 29 THR HA H 29 4.690 4.690 4.157 0.533 18834 4265 1 9 . 1 1 29 29 THR CA C 29 61.624 61.624 62.563 -0.939 18834 4266 1 9 . 1 1 29 29 THR CB C 29 70.939 70.939 68.986 1.953 18834 4267 1 9 . 1 1 29 29 THR H H 29 7.857 7.857 7.618 0.239 18834 4268 1 9 . 1 1 30 30 SER N N 30 113.816 113.816 114.014 -0.198 18834 4269 1 9 . 1 1 30 30 SER HA H 30 4.537 4.537 4.224 0.313 18834 4270 1 9 . 1 1 30 30 SER C C 30 174.867 174.867 174.948 -0.081 18834 4271 1 9 . 1 1 30 30 SER CA C 30 58.369 58.369 59.502 -1.133 18834 4272 1 9 . 1 1 30 30 SER CB C 30 63.547 63.547 62.729 0.818 18834 4273 1 9 . 1 1 30 30 SER H H 30 8.438 8.438 8.435 0.003 18834 4274 1 9 . 1 1 31 31 VAL N N 31 118.013 118.013 117.472 0.541 18834 4275 1 9 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.856 0.242 18834 4276 1 9 . 1 1 31 31 VAL C C 31 176.528 176.528 177.346 -0.818 18834 4277 1 9 . 1 1 31 31 VAL CA C 31 62.070 62.070 62.428 -0.358 18834 4278 1 9 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.603 -0.097 18834 4279 1 9 . 1 1 31 31 VAL H H 31 7.567 7.567 7.206 0.361 18834 4280 1 9 . 1 1 32 32 ARG N N 32 124.719 124.719 127.508 -2.789 18834 4281 1 9 . 1 1 32 32 ARG HA H 32 4.007 4.007 3.944 0.063 18834 4282 1 9 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.737 -0.728 18834 4283 1 9 . 1 1 32 32 ARG CB C 32 29.571 29.571 29.850 -0.279 18834 4284 1 9 . 1 1 32 32 ARG H H 32 8.501 8.501 8.515 -0.014 18834 4285 1 9 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.621 -0.044 18834 4286 1 9 . 1 1 33 33 HIS C C 33 175.064 175.064 174.857 0.207 18834 4287 1 9 . 1 1 33 33 HIS CA C 33 56.814 56.814 56.078 0.736 18834 4288 1 9 . 1 1 33 33 HIS CB C 33 29.091 29.091 29.534 -0.443 18834 4289 1 9 . 1 1 34 34 GLY N N 34 109.357 109.357 108.052 1.305 18834 4290 1 9 . 1 1 34 34 GLY C C 34 174.616 174.616 173.295 1.321 18834 4291 1 9 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.983 0.611 18834 4292 1 9 . 1 1 34 34 GLY H H 34 8.469 8.469 7.645 0.824 18834 4293 1 9 . 1 1 35 35 GLY N N 35 104.989 104.989 106.288 -1.299 18834 4294 1 9 . 1 1 35 35 GLY C C 35 170.518 170.518 172.986 -2.468 18834 4295 1 9 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.647 0.994 18834 4296 1 9 . 1 1 35 35 GLY H H 35 7.787 7.787 7.814 -0.027 18834 4297 1 9 . 1 1 36 36 ILE N N 36 119.808 119.808 120.904 -1.096 18834 4298 1 9 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.919 -0.173 18834 4299 1 9 . 1 1 36 36 ILE C C 36 174.616 174.616 175.028 -0.412 18834 4300 1 9 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.432 -3.477 18834 4301 1 9 . 1 1 36 36 ILE CB C 36 35.618 35.618 39.295 -3.677 18834 4302 1 9 . 1 1 36 36 ILE H H 36 8.362 8.362 7.983 0.379 18834 4303 1 9 . 1 1 37 37 TYR N N 37 123.168 123.168 127.185 -4.017 18834 4304 1 9 . 1 1 37 37 TYR HA H 37 5.268 5.268 5.002 0.266 18834 4305 1 9 . 1 1 37 37 TYR C C 37 176.069 176.069 175.765 0.304 18834 4306 1 9 . 1 1 37 37 TYR CA C 37 55.959 55.959 56.503 -0.544 18834 4307 1 9 . 1 1 37 37 TYR CB C 37 42.436 42.436 41.312 1.124 18834 4308 1 9 . 1 1 37 37 TYR H H 37 8.904 8.904 9.099 -0.195 18834 4309 1 9 . 1 1 38 38 VAL N N 38 120.273 120.273 121.918 -1.645 18834 4310 1 9 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.283 -0.484 18834 4311 1 9 . 1 1 38 38 VAL C C 38 175.886 175.886 176.522 -0.636 18834 4312 1 9 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.725 1.359 18834 4313 1 9 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.862 0.582 18834 4314 1 9 . 1 1 38 38 VAL H H 38 9.230 9.230 8.842 0.388 18834 4315 1 9 . 1 1 39 39 LYS N N 39 133.619 133.619 129.270 4.349 18834 4316 1 9 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.165 0.224 18834 4317 1 9 . 1 1 39 39 LYS C C 39 174.763 174.763 175.644 -0.881 18834 4318 1 9 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.893 -1.357 18834 4319 1 9 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.011 1.528 18834 4320 1 9 . 1 1 39 39 LYS H H 39 9.584 9.584 8.280 1.304 18834 4321 1 9 . 1 1 40 40 ALA N N 40 117.459 117.459 118.181 -0.722 18834 4322 1 9 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.541 -0.037 18834 4323 1 9 . 1 1 40 40 ALA C C 40 174.686 174.686 174.382 0.304 18834 4324 1 9 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.617 0.279 18834 4325 1 9 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.456 0.789 18834 4326 1 9 . 1 1 40 40 ALA H H 40 7.584 7.584 7.310 0.274 18834 4327 1 9 . 1 1 41 41 VAL N N 41 120.599 120.599 121.066 -0.467 18834 4328 1 9 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.360 0.019 18834 4329 1 9 . 1 1 41 41 VAL C C 41 175.714 175.714 174.923 0.791 18834 4330 1 9 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.604 -0.455 18834 4331 1 9 . 1 1 41 41 VAL CB C 41 32.506 32.506 33.745 -1.239 18834 4332 1 9 . 1 1 41 41 VAL H H 41 8.747 8.747 8.287 0.460 18834 4333 1 9 . 1 1 42 42 ILE N N 42 127.775 127.775 124.677 3.098 18834 4334 1 9 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.795 -0.668 18834 4335 1 9 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.574 1.252 18834 4336 1 9 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.669 0.547 18834 4337 1 9 . 1 1 42 42 ILE H H 42 7.827 7.827 8.103 -0.276 18834 4338 1 9 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.545 -0.070 18834 4339 1 9 . 1 1 43 43 PRO C C 43 177.234 177.234 176.781 0.453 18834 4340 1 9 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.489 1.688 18834 4341 1 9 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.905 -1.104 18834 4342 1 9 . 1 1 44 44 GLN N N 44 116.932 116.932 115.338 1.594 18834 4343 1 9 . 1 1 44 44 GLN HA H 44 3.848 3.848 4.054 -0.206 18834 4344 1 9 . 1 1 44 44 GLN C C 44 175.628 175.628 174.856 0.772 18834 4345 1 9 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.529 0.612 18834 4346 1 9 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.549 -1.108 18834 4347 1 9 . 1 1 44 44 GLN H H 44 9.388 9.388 8.723 0.665 18834 4348 1 9 . 1 1 45 45 GLY N N 45 106.131 106.131 104.799 1.332 18834 4349 1 9 . 1 1 45 45 GLY C C 45 174.404 174.404 173.586 0.818 18834 4350 1 9 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.892 0.766 18834 4351 1 9 . 1 1 45 45 GLY H H 45 7.875 7.875 7.663 0.212 18834 4352 1 9 . 1 1 46 46 ALA N N 46 121.011 121.011 122.935 -1.924 18834 4353 1 9 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.051 -0.000 18834 4354 1 9 . 1 1 46 46 ALA C C 46 180.673 180.673 179.000 1.673 18834 4355 1 9 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.545 -0.500 18834 4356 1 9 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.579 -0.071 18834 4357 1 9 . 1 1 46 46 ALA H H 46 9.017 9.017 8.894 0.123 18834 4358 1 9 . 1 1 47 47 ALA N N 47 118.848 118.848 121.080 -2.232 18834 4359 1 9 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.879 0.189 18834 4360 1 9 . 1 1 47 47 ALA C C 47 180.699 180.699 179.564 1.135 18834 4361 1 9 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.322 -0.405 18834 4362 1 9 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.928 0.702 18834 4363 1 9 . 1 1 47 47 ALA H H 47 7.754 7.754 8.454 -0.700 18834 4364 1 9 . 1 1 48 48 GLU N N 48 124.400 124.400 118.375 6.025 18834 4365 1 9 . 1 1 48 48 GLU HA H 48 3.823 3.823 3.942 -0.119 18834 4366 1 9 . 1 1 48 48 GLU C C 48 178.174 178.174 178.534 -0.360 18834 4367 1 9 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.759 1.150 18834 4368 1 9 . 1 1 48 48 GLU CB C 48 29.759 29.759 28.439 1.320 18834 4369 1 9 . 1 1 48 48 GLU H H 48 9.317 9.317 8.598 0.719 18834 4370 1 9 . 1 1 49 49 SER N N 49 113.388 113.388 115.274 -1.886 18834 4371 1 9 . 1 1 49 49 SER HA H 49 4.100 4.100 4.227 -0.127 18834 4372 1 9 . 1 1 49 49 SER C C 49 175.693 175.693 176.190 -0.497 18834 4373 1 9 . 1 1 49 49 SER CA C 49 61.233 61.233 61.094 0.139 18834 4374 1 9 . 1 1 49 49 SER CB C 49 62.780 62.780 63.108 -0.329 18834 4375 1 9 . 1 1 49 49 SER H H 49 8.115 8.115 7.699 0.416 18834 4376 1 9 . 1 1 50 50 ASP N N 50 120.047 120.047 119.609 0.438 18834 4377 1 9 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.667 -0.288 18834 4378 1 9 . 1 1 50 50 ASP C C 50 177.650 177.650 177.261 0.389 18834 4379 1 9 . 1 1 50 50 ASP CA C 50 57.214 57.214 53.931 3.284 18834 4380 1 9 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.292 2.949 18834 4381 1 9 . 1 1 50 50 ASP H H 50 7.609 7.609 7.888 -0.279 18834 4382 1 9 . 1 1 51 51 GLY N N 51 102.979 102.979 107.382 -4.403 18834 4383 1 9 . 1 1 51 51 GLY C C 51 174.977 174.977 174.626 0.351 18834 4384 1 9 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.627 0.725 18834 4385 1 9 . 1 1 51 51 GLY H H 51 7.372 7.372 7.974 -0.602 18834 4386 1 9 . 1 1 52 52 ARG N N 52 117.579 117.579 118.014 -0.435 18834 4387 1 9 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.453 -0.139 18834 4388 1 9 . 1 1 52 52 ARG C C 52 175.886 175.886 175.257 0.629 18834 4389 1 9 . 1 1 52 52 ARG CA C 52 57.894 57.894 56.017 1.877 18834 4390 1 9 . 1 1 52 52 ARG CB C 52 33.246 33.246 31.075 2.171 18834 4391 1 9 . 1 1 52 52 ARG H H 52 7.966 7.966 7.491 0.475 18834 4392 1 9 . 1 1 53 53 ILE N N 53 120.155 120.155 118.582 1.573 18834 4393 1 9 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.204 0.032 18834 4394 1 9 . 1 1 53 53 ILE C C 53 173.773 173.773 173.340 0.433 18834 4395 1 9 . 1 1 53 53 ILE CA C 53 61.405 61.405 59.840 1.565 18834 4396 1 9 . 1 1 53 53 ILE CB C 53 39.641 39.641 42.198 -2.557 18834 4397 1 9 . 1 1 53 53 ILE H H 53 8.225 8.225 7.412 0.813 18834 4398 1 9 . 1 1 54 54 HIS N N 54 123.751 123.751 122.608 1.143 18834 4399 1 9 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.879 -0.089 18834 4400 1 9 . 1 1 54 54 HIS C C 54 173.696 173.696 174.623 -0.927 18834 4401 1 9 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.175 0.669 18834 4402 1 9 . 1 1 54 54 HIS CB C 54 33.566 33.566 32.888 0.679 18834 4403 1 9 . 1 1 54 54 HIS H H 54 9.061 9.061 8.275 0.786 18834 4404 1 9 . 1 1 55 55 LYS N N 55 120.590 120.590 121.207 -0.617 18834 4405 1 9 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.132 -0.506 18834 4406 1 9 . 1 1 55 55 LYS C C 55 176.916 176.916 177.475 -0.559 18834 4407 1 9 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.606 0.698 18834 4408 1 9 . 1 1 55 55 LYS CB C 55 32.421 32.421 33.016 -0.595 18834 4409 1 9 . 1 1 55 55 LYS H H 55 8.670 8.670 8.628 0.042 18834 4410 1 9 . 1 1 56 56 GLY N N 56 114.645 114.645 115.453 -0.808 18834 4411 1 9 . 1 1 56 56 GLY C C 56 174.438 174.438 174.665 -0.227 18834 4412 1 9 . 1 1 56 56 GLY CA C 56 44.762 44.762 45.356 -0.594 18834 4413 1 9 . 1 1 56 56 GLY H H 56 9.201 9.201 9.127 0.074 18834 4414 1 9 . 1 1 57 57 ASP N N 57 121.982 121.982 123.286 -1.304 18834 4415 1 9 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.717 0.170 18834 4416 1 9 . 1 1 57 57 ASP C C 57 174.623 174.623 174.585 0.038 18834 4417 1 9 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.458 0.378 18834 4418 1 9 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.395 -0.312 18834 4419 1 9 . 1 1 57 57 ASP H H 57 8.058 8.058 7.669 0.389 18834 4420 1 9 . 1 1 58 58 ARG N N 58 123.240 123.240 120.968 2.272 18834 4421 1 9 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.548 0.067 18834 4422 1 9 . 1 1 58 58 ARG C C 58 175.573 175.573 174.330 1.243 18834 4423 1 9 . 1 1 58 58 ARG CA C 58 54.521 54.521 53.727 0.794 18834 4424 1 9 . 1 1 58 58 ARG CB C 58 33.701 33.701 32.967 0.734 18834 4425 1 9 . 1 1 58 58 ARG H H 58 9.078 9.078 8.619 0.459 18834 4426 1 9 . 1 1 59 59 VAL N N 59 126.202 126.202 125.393 0.809 18834 4427 1 9 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.270 -0.407 18834 4428 1 9 . 1 1 59 59 VAL C C 59 174.458 174.458 175.348 -0.890 18834 4429 1 9 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.664 -0.461 18834 4430 1 9 . 1 1 59 59 VAL CB C 59 30.998 30.998 31.950 -0.952 18834 4431 1 9 . 1 1 59 59 VAL H H 59 8.897 8.897 8.752 0.145 18834 4432 1 9 . 1 1 60 60 LEU N N 60 127.163 127.163 128.436 -1.273 18834 4433 1 9 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.342 -0.046 18834 4434 1 9 . 1 1 60 60 LEU C C 60 178.289 178.289 176.372 1.917 18834 4435 1 9 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.658 -0.604 18834 4436 1 9 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.888 -0.276 18834 4437 1 9 . 1 1 60 60 LEU H H 60 9.213 9.213 8.696 0.517 18834 4438 1 9 . 1 1 61 61 ALA N N 61 118.886 118.886 117.373 1.513 18834 4439 1 9 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.226 -0.272 18834 4440 1 9 . 1 1 61 61 ALA C C 61 175.288 175.288 175.519 -0.231 18834 4441 1 9 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.311 1.968 18834 4442 1 9 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.276 -0.179 18834 4443 1 9 . 1 1 61 61 ALA H H 61 7.741 7.741 7.317 0.424 18834 4444 1 9 . 1 1 62 62 VAL N N 62 119.929 119.929 119.720 0.209 18834 4445 1 9 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.249 0.201 18834 4446 1 9 . 1 1 62 62 VAL C C 62 175.323 175.323 176.115 -0.792 18834 4447 1 9 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.890 -0.472 18834 4448 1 9 . 1 1 62 62 VAL CB C 62 34.050 34.050 34.146 -0.096 18834 4449 1 9 . 1 1 62 62 VAL H H 62 8.256 8.256 7.992 0.264 18834 4450 1 9 . 1 1 63 63 ASN N N 63 128.933 128.933 126.891 2.042 18834 4451 1 9 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.395 0.150 18834 4452 1 9 . 1 1 63 63 ASN C C 63 175.197 175.197 175.335 -0.138 18834 4453 1 9 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.096 0.072 18834 4454 1 9 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.900 -1.004 18834 4455 1 9 . 1 1 63 63 ASN H H 63 10.392 10.392 9.249 1.143 18834 4456 1 9 . 1 1 64 64 GLY N N 64 103.413 103.413 102.369 1.044 18834 4457 1 9 . 1 1 64 64 GLY C C 64 173.872 173.872 174.195 -0.323 18834 4458 1 9 . 1 1 64 64 GLY CA C 64 45.171 45.171 45.309 -0.138 18834 4459 1 9 . 1 1 64 64 GLY H H 64 9.085 9.085 8.123 0.962 18834 4460 1 9 . 1 1 65 65 VAL N N 65 123.643 123.643 123.297 0.346 18834 4461 1 9 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.104 -0.156 18834 4462 1 9 . 1 1 65 65 VAL C C 65 175.645 175.645 175.581 0.064 18834 4463 1 9 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.526 0.610 18834 4464 1 9 . 1 1 65 65 VAL CB C 65 31.640 31.640 32.303 -0.663 18834 4465 1 9 . 1 1 65 65 VAL H H 65 8.028 8.028 7.699 0.329 18834 4466 1 9 . 1 1 66 66 SER N N 66 120.923 120.923 123.939 -3.016 18834 4467 1 9 . 1 1 66 66 SER HA H 66 4.334 4.334 4.203 0.131 18834 4468 1 9 . 1 1 66 66 SER C C 66 176.388 176.388 173.900 2.488 18834 4469 1 9 . 1 1 66 66 SER CA C 66 58.342 58.342 59.746 -1.404 18834 4470 1 9 . 1 1 66 66 SER CB C 66 63.562 63.562 63.162 0.400 18834 4471 1 9 . 1 1 66 66 SER H H 66 8.647 8.647 8.769 -0.122 18834 4472 1 9 . 1 1 67 67 LEU N N 67 125.116 125.116 126.613 -1.497 18834 4473 1 9 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.590 -0.152 18834 4474 1 9 . 1 1 67 67 LEU C C 67 176.462 176.462 176.339 0.123 18834 4475 1 9 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.002 -0.270 18834 4476 1 9 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.510 -1.620 18834 4477 1 9 . 1 1 67 67 LEU H H 67 8.292 8.292 8.683 -0.391 18834 4478 1 9 . 1 1 68 68 GLU N N 68 123.552 123.552 119.131 4.421 18834 4479 1 9 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.224 -0.189 18834 4480 1 9 . 1 1 68 68 GLU C C 68 177.767 177.767 177.129 0.638 18834 4481 1 9 . 1 1 68 68 GLU CA C 68 58.571 58.571 57.311 1.260 18834 4482 1 9 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.307 -0.255 18834 4483 1 9 . 1 1 68 68 GLU H H 68 8.305 8.305 7.613 0.692 18834 4484 1 9 . 1 1 69 69 GLY N N 69 115.496 115.496 113.336 2.160 18834 4485 1 9 . 1 1 69 69 GLY C C 69 173.618 173.618 174.325 -0.707 18834 4486 1 9 . 1 1 69 69 GLY CA C 69 45.396 45.396 45.024 0.372 18834 4487 1 9 . 1 1 69 69 GLY H H 69 8.977 8.977 8.635 0.342 18834 4488 1 9 . 1 1 70 70 ALA N N 70 121.999 121.999 124.858 -2.859 18834 4489 1 9 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.755 -0.253 18834 4490 1 9 . 1 1 70 70 ALA C C 70 179.820 179.820 176.510 3.310 18834 4491 1 9 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.207 1.208 18834 4492 1 9 . 1 1 70 70 ALA CB C 70 19.638 19.638 20.394 -0.756 18834 4493 1 9 . 1 1 70 70 ALA H H 70 7.807 7.807 7.952 -0.145 18834 4494 1 9 . 1 1 71 71 THR N N 71 111.294 111.294 112.925 -1.631 18834 4495 1 9 . 1 1 71 71 THR HA H 71 4.515 4.515 4.507 0.008 18834 4496 1 9 . 1 1 71 71 THR C C 71 174.717 174.717 176.235 -1.518 18834 4497 1 9 . 1 1 71 71 THR CA C 71 60.692 60.692 60.189 0.503 18834 4498 1 9 . 1 1 71 71 THR CB C 71 71.274 71.274 70.722 0.552 18834 4499 1 9 . 1 1 71 71 THR H H 71 8.222 8.222 8.235 -0.013 18834 4500 1 9 . 1 1 72 72 HIS N N 72 121.871 121.871 119.050 2.821 18834 4501 1 9 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.274 -0.414 18834 4502 1 9 . 1 1 72 72 HIS C C 72 176.702 176.702 177.164 -0.462 18834 4503 1 9 . 1 1 72 72 HIS CA C 72 61.983 61.983 59.864 2.119 18834 4504 1 9 . 1 1 72 72 HIS CB C 72 30.047 30.047 28.877 1.170 18834 4505 1 9 . 1 1 72 72 HIS H H 72 9.217 9.217 8.977 0.240 18834 4506 1 9 . 1 1 73 73 LYS N N 73 116.941 116.941 120.530 -3.589 18834 4507 1 9 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.781 0.043 18834 4508 1 9 . 1 1 73 73 LYS C C 73 178.288 178.288 179.092 -0.804 18834 4509 1 9 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.602 -0.252 18834 4510 1 9 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.652 1.159 18834 4511 1 9 . 1 1 73 73 LYS H H 73 8.429 8.429 7.249 1.180 18834 4512 1 9 . 1 1 74 74 GLN N N 74 116.915 116.915 118.382 -1.467 18834 4513 1 9 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.907 -0.038 18834 4514 1 9 . 1 1 74 74 GLN C C 74 179.732 179.732 178.576 1.156 18834 4515 1 9 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.817 -0.218 18834 4516 1 9 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.454 -0.103 18834 4517 1 9 . 1 1 74 74 GLN H H 74 7.660 7.660 7.451 0.209 18834 4518 1 9 . 1 1 75 75 ALA N N 75 122.673 122.673 122.955 -0.282 18834 4519 1 9 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.924 -0.136 18834 4520 1 9 . 1 1 75 75 ALA C C 75 179.078 179.078 179.604 -0.526 18834 4521 1 9 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.476 0.090 18834 4522 1 9 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.482 0.369 18834 4523 1 9 . 1 1 75 75 ALA H H 75 8.379 8.379 8.327 0.052 18834 4524 1 9 . 1 1 76 76 VAL N N 76 112.831 112.831 114.957 -2.126 18834 4525 1 9 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.800 -0.295 18834 4526 1 9 . 1 1 76 76 VAL CA C 76 65.895 65.895 65.604 0.291 18834 4527 1 9 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.063 -0.372 18834 4528 1 9 . 1 1 76 76 VAL H H 76 8.239 8.239 7.846 0.393 18834 4529 1 9 . 1 1 77 77 CYS C C 77 177.150 177.150 177.171 -0.021 18834 4530 1 9 . 1 1 77 77 CYS CA C 77 60.391 60.391 62.970 -2.579 18834 4531 1 9 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.361 10.421 18834 4532 1 9 . 1 1 78 78 THR N N 78 117.507 117.507 117.648 -0.141 18834 4533 1 9 . 1 1 78 78 THR HA H 78 3.858 3.858 3.966 -0.108 18834 4534 1 9 . 1 1 78 78 THR C C 78 176.460 176.460 176.218 0.242 18834 4535 1 9 . 1 1 78 78 THR CA C 78 67.123 67.123 67.007 0.116 18834 4536 1 9 . 1 1 78 78 THR CB C 78 68.123 68.123 68.671 -0.548 18834 4537 1 9 . 1 1 78 78 THR H H 78 8.015 8.015 8.053 -0.038 18834 4538 1 9 . 1 1 79 79 LEU N N 79 119.666 119.666 121.641 -1.975 18834 4539 1 9 . 1 1 79 79 LEU HA H 79 3.750 3.750 3.936 -0.186 18834 4540 1 9 . 1 1 79 79 LEU CA C 79 58.190 58.190 58.033 0.157 18834 4541 1 9 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.660 0.412 18834 4542 1 9 . 1 1 79 79 LEU H H 79 7.984 7.984 7.537 0.447 18834 4543 1 9 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.211 -0.014 18834 4544 1 9 . 1 1 80 80 ARG C C 80 177.750 177.750 178.688 -0.938 18834 4545 1 9 . 1 1 80 80 ARG CA C 80 58.307 58.307 57.244 1.063 18834 4546 1 9 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.321 -0.229 18834 4547 1 9 . 1 1 81 81 ASN N N 81 119.843 119.843 119.825 0.018 18834 4548 1 9 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.644 0.340 18834 4549 1 9 . 1 1 81 81 ASN C C 81 174.819 174.819 174.599 0.220 18834 4550 1 9 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.603 -0.490 18834 4551 1 9 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.832 -0.164 18834 4552 1 9 . 1 1 81 81 ASN H H 81 7.648 7.648 8.194 -0.546 18834 4553 1 9 . 1 1 82 82 THR N N 82 109.907 109.907 114.648 -4.741 18834 4554 1 9 . 1 1 82 82 THR HA H 82 4.447 4.447 4.716 -0.269 18834 4555 1 9 . 1 1 82 82 THR C C 82 175.114 175.114 173.847 1.267 18834 4556 1 9 . 1 1 82 82 THR CA C 82 59.944 59.944 60.393 -0.449 18834 4557 1 9 . 1 1 82 82 THR CB C 82 72.611 72.611 71.802 0.809 18834 4558 1 9 . 1 1 82 82 THR H H 82 7.668 7.668 7.891 -0.223 18834 4559 1 9 . 1 1 83 83 GLY N N 83 109.505 109.505 107.572 1.933 18834 4560 1 9 . 1 1 83 83 GLY C C 83 173.467 173.467 174.884 -1.417 18834 4561 1 9 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.576 -0.484 18834 4562 1 9 . 1 1 83 83 GLY H H 83 8.421 8.421 8.522 -0.101 18834 4563 1 9 . 1 1 84 84 GLN N N 84 117.276 117.276 118.987 -1.711 18834 4564 1 9 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.151 -0.188 18834 4565 1 9 . 1 1 84 84 GLN C C 84 175.254 175.254 175.458 -0.204 18834 4566 1 9 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.429 0.014 18834 4567 1 9 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.094 -0.121 18834 4568 1 9 . 1 1 84 84 GLN H H 84 8.224 8.224 8.518 -0.294 18834 4569 1 9 . 1 1 85 85 VAL N N 85 116.186 116.186 115.224 0.962 18834 4570 1 9 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.464 0.190 18834 4571 1 9 . 1 1 85 85 VAL C C 85 175.879 175.879 175.069 0.810 18834 4572 1 9 . 1 1 85 85 VAL CA C 85 61.298 61.298 60.941 0.357 18834 4573 1 9 . 1 1 85 85 VAL CB C 85 33.130 33.130 34.098 -0.968 18834 4574 1 9 . 1 1 85 85 VAL H H 85 7.699 7.699 7.620 0.079 18834 4575 1 9 . 1 1 86 86 VAL N N 86 128.499 128.499 121.031 7.468 18834 4576 1 9 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.308 0.139 18834 4577 1 9 . 1 1 86 86 VAL C C 86 173.365 173.365 174.327 -0.962 18834 4578 1 9 . 1 1 86 86 VAL CA C 86 60.965 60.965 60.261 0.704 18834 4579 1 9 . 1 1 86 86 VAL CB C 86 34.987 34.987 35.554 -0.567 18834 4580 1 9 . 1 1 86 86 VAL H H 86 9.043 9.043 8.729 0.314 18834 4581 1 9 . 1 1 87 87 HIS N N 87 126.357 126.357 124.171 2.186 18834 4582 1 9 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.248 -0.252 18834 4583 1 9 . 1 1 87 87 HIS C C 87 174.387 174.387 174.473 -0.086 18834 4584 1 9 . 1 1 87 87 HIS CA C 87 55.802 55.802 55.423 0.379 18834 4585 1 9 . 1 1 87 87 HIS CB C 87 31.179 31.179 30.198 0.981 18834 4586 1 9 . 1 1 87 87 HIS H H 87 8.855 8.855 8.872 -0.017 18834 4587 1 9 . 1 1 88 88 LEU N N 88 126.780 126.780 122.877 3.903 18834 4588 1 9 . 1 1 88 88 LEU HA H 88 4.960 4.960 5.049 -0.089 18834 4589 1 9 . 1 1 88 88 LEU C C 88 173.365 173.365 174.823 -1.458 18834 4590 1 9 . 1 1 88 88 LEU CA C 88 53.494 53.494 52.889 0.605 18834 4591 1 9 . 1 1 88 88 LEU CB C 88 45.187 45.187 42.330 2.857 18834 4592 1 9 . 1 1 88 88 LEU H H 88 9.016 9.016 8.340 0.676 18834 4593 1 9 . 1 1 89 89 LEU N N 89 124.435 124.435 124.792 -0.357 18834 4594 1 9 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.509 0.212 18834 4595 1 9 . 1 1 89 89 LEU C C 89 175.213 175.213 176.241 -1.028 18834 4596 1 9 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.561 -0.900 18834 4597 1 9 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.455 2.936 18834 4598 1 9 . 1 1 89 89 LEU H H 89 7.965 7.965 7.963 0.002 18834 4599 1 9 . 1 1 90 90 LEU N N 90 127.444 127.444 121.408 6.036 18834 4600 1 9 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.062 0.221 18834 4601 1 9 . 1 1 90 90 LEU C C 90 173.560 173.560 175.658 -2.098 18834 4602 1 9 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.187 1.901 18834 4603 1 9 . 1 1 90 90 LEU CB C 90 45.956 45.956 43.275 2.681 18834 4604 1 9 . 1 1 90 90 LEU H H 90 8.909 8.909 8.662 0.247 18834 4605 1 9 . 1 1 91 91 GLU N N 91 118.954 118.954 120.704 -1.750 18834 4606 1 9 . 1 1 91 91 GLU HA H 91 5.062 5.062 4.924 0.138 18834 4607 1 9 . 1 1 91 91 GLU C C 91 176.652 176.652 175.909 0.743 18834 4608 1 9 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.188 -0.402 18834 4609 1 9 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.424 0.422 18834 4610 1 9 . 1 1 91 91 GLU H H 91 8.813 8.813 9.124 -0.311 18834 4611 1 9 . 1 1 92 92 LYS N N 92 129.055 129.055 125.927 3.128 18834 4612 1 9 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.405 -0.018 18834 4613 1 9 . 1 1 92 92 LYS C C 92 178.000 178.000 177.358 0.642 18834 4614 1 9 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.271 -0.009 18834 4615 1 9 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.225 -0.154 18834 4616 1 9 . 1 1 92 92 LYS H H 92 9.362 9.362 9.134 0.228 18834 4617 1 9 . 1 1 93 93 GLY N N 93 117.893 117.893 109.812 8.081 18834 4618 1 9 . 1 1 93 93 GLY C C 93 173.147 173.147 174.440 -1.293 18834 4619 1 9 . 1 1 93 93 GLY CA C 93 45.173 45.173 45.830 -0.657 18834 4620 1 9 . 1 1 93 93 GLY H H 93 9.698 9.698 9.775 -0.077 18834 4621 1 9 . 1 1 94 94 GLN N N 94 116.797 116.797 118.406 -1.609 18834 4622 1 9 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.572 -0.310 18834 4623 1 9 . 1 1 94 94 GLN C C 94 175.942 175.942 174.991 0.951 18834 4624 1 9 . 1 1 94 94 GLN CA C 94 55.514 55.514 55.266 0.248 18834 4625 1 9 . 1 1 94 94 GLN CB C 94 29.688 29.688 30.049 -0.361 18834 4626 1 9 . 1 1 94 94 GLN H H 94 8.252 8.252 7.992 0.260 18834 4627 1 9 . 1 1 95 95 SER N N 95 118.117 118.117 118.137 -0.020 18834 4628 1 9 . 1 1 95 95 SER HA H 95 4.658 4.658 4.670 -0.012 18834 4629 1 9 . 1 1 95 95 SER CA C 95 56.588 56.588 56.314 0.274 18834 4630 1 9 . 1 1 95 95 SER CB C 95 63.194 63.194 63.846 -0.652 18834 4631 1 9 . 1 1 95 95 SER H H 95 8.377 8.377 8.491 -0.114 18834 4632 1 9 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.361 0.116 18834 4633 1 9 . 1 1 96 96 PRO C C 96 176.291 176.291 176.335 -0.044 18834 4634 1 9 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.650 0.861 18834 4635 1 9 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.341 -0.388 18834 4636 1 10 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.496 -0.022 18834 4637 1 10 . 1 1 2 2 PRO C C 2 175.857 175.857 175.780 0.077 18834 4638 1 10 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.628 0.215 18834 4639 1 10 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.608 -0.341 18834 4640 1 10 . 1 1 3 3 LYS N N 3 124.698 124.698 121.307 3.391 18834 4641 1 10 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.487 0.103 18834 4642 1 10 . 1 1 3 3 LYS CA C 3 53.618 53.618 54.191 -0.573 18834 4643 1 10 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.425 -0.869 18834 4644 1 10 . 1 1 3 3 LYS H H 3 8.952 8.952 8.271 0.681 18834 4645 1 10 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.138 -0.194 18834 4646 1 10 . 1 1 4 4 PRO C C 4 177.504 177.504 177.235 0.269 18834 4647 1 10 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.161 0.383 18834 4648 1 10 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.073 0.697 18834 4649 1 10 . 1 1 5 5 GLY N N 5 113.728 113.728 114.065 -0.337 18834 4650 1 10 . 1 1 5 5 GLY C C 5 174.146 174.146 174.070 0.076 18834 4651 1 10 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.701 0.332 18834 4652 1 10 . 1 1 5 5 GLY H H 5 9.011 9.011 8.579 0.432 18834 4653 1 10 . 1 1 6 6 ASP N N 6 121.776 121.776 121.890 -0.114 18834 4654 1 10 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.689 -0.019 18834 4655 1 10 . 1 1 6 6 ASP C C 6 175.673 175.673 175.641 0.032 18834 4656 1 10 . 1 1 6 6 ASP CA C 6 54.918 54.918 54.321 0.597 18834 4657 1 10 . 1 1 6 6 ASP CB C 6 41.446 41.446 41.875 -0.429 18834 4658 1 10 . 1 1 6 6 ASP H H 6 8.468 8.468 7.989 0.479 18834 4659 1 10 . 1 1 7 7 ILE N N 7 121.570 121.570 123.231 -1.661 18834 4660 1 10 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.784 0.547 18834 4661 1 10 . 1 1 7 7 ILE C C 7 176.824 176.824 175.904 0.920 18834 4662 1 10 . 1 1 7 7 ILE CA C 7 59.601 59.601 60.459 -0.858 18834 4663 1 10 . 1 1 7 7 ILE CB C 7 38.254 38.254 39.267 -1.013 18834 4664 1 10 . 1 1 7 7 ILE H H 7 8.362 8.362 8.285 0.077 18834 4665 1 10 . 1 1 8 8 PHE N N 8 125.816 125.816 124.405 1.411 18834 4666 1 10 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.067 0.005 18834 4667 1 10 . 1 1 8 8 PHE C C 8 171.149 171.149 173.087 -1.938 18834 4668 1 10 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.602 -0.073 18834 4669 1 10 . 1 1 8 8 PHE CB C 8 41.312 41.312 40.710 0.602 18834 4670 1 10 . 1 1 8 8 PHE H H 8 9.476 9.476 8.397 1.079 18834 4671 1 10 . 1 1 9 9 GLU N N 9 118.961 118.961 119.958 -0.997 18834 4672 1 10 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.299 0.914 18834 4673 1 10 . 1 1 9 9 GLU C C 9 175.995 175.995 175.618 0.377 18834 4674 1 10 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.229 -1.240 18834 4675 1 10 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.536 1.892 18834 4676 1 10 . 1 1 9 9 GLU H H 9 8.490 8.490 8.486 0.004 18834 4677 1 10 . 1 1 10 10 VAL N N 10 119.964 119.964 118.034 1.930 18834 4678 1 10 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.569 -0.432 18834 4679 1 10 . 1 1 10 10 VAL C C 10 173.221 173.221 173.942 -0.721 18834 4680 1 10 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.937 1.154 18834 4681 1 10 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.717 1.049 18834 4682 1 10 . 1 1 10 10 VAL H H 10 8.577 8.577 7.786 0.791 18834 4683 1 10 . 1 1 11 11 GLU N N 11 126.219 126.219 122.158 4.061 18834 4684 1 10 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.201 -0.246 18834 4685 1 10 . 1 1 11 11 GLU C C 11 174.538 174.538 175.474 -0.936 18834 4686 1 10 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.846 0.016 18834 4687 1 10 . 1 1 11 11 GLU CB C 11 30.836 30.836 31.260 -0.424 18834 4688 1 10 . 1 1 11 11 GLU H H 11 7.794 7.794 8.364 -0.570 18834 4689 1 10 . 1 1 12 12 LEU N N 12 126.212 126.212 125.354 0.858 18834 4690 1 10 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.702 -0.056 18834 4691 1 10 . 1 1 12 12 LEU C C 12 173.916 173.916 175.257 -1.341 18834 4692 1 10 . 1 1 12 12 LEU CA C 12 53.137 53.137 54.180 -1.043 18834 4693 1 10 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.907 -0.781 18834 4694 1 10 . 1 1 12 12 LEU H H 12 8.848 8.848 8.960 -0.112 18834 4695 1 10 . 1 1 13 13 ALA N N 13 126.357 126.357 124.406 1.951 18834 4696 1 10 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.513 0.582 18834 4697 1 10 . 1 1 13 13 ALA C C 13 177.352 177.352 176.908 0.444 18834 4698 1 10 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.536 -1.616 18834 4699 1 10 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.895 -0.518 18834 4700 1 10 . 1 1 13 13 ALA H H 13 8.494 8.494 8.462 0.032 18834 4701 1 10 . 1 1 14 14 LYS N N 14 120.000 120.000 120.470 -0.470 18834 4702 1 10 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.099 -0.347 18834 4703 1 10 . 1 1 14 14 LYS C C 14 176.313 176.313 176.039 0.274 18834 4704 1 10 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.832 -0.070 18834 4705 1 10 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.142 1.327 18834 4706 1 10 . 1 1 14 14 LYS H H 14 8.496 8.496 8.186 0.310 18834 4707 1 10 . 1 1 15 15 ASN N N 15 117.473 117.473 116.364 1.109 18834 4708 1 10 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.462 0.455 18834 4709 1 10 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.559 -1.072 18834 4710 1 10 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.667 2.017 18834 4711 1 10 . 1 1 15 15 ASN H H 15 8.079 8.079 8.140 -0.061 18834 4712 1 10 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.263 -0.004 18834 4713 1 10 . 1 1 16 16 ASP C C 16 175.515 175.515 175.382 0.133 18834 4714 1 10 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.037 0.483 18834 4715 1 10 . 1 1 16 16 ASP CB C 16 39.303 39.303 40.090 -0.787 18834 4716 1 10 . 1 1 17 17 ASN N N 17 110.160 110.160 113.914 -3.754 18834 4717 1 10 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.333 -0.101 18834 4718 1 10 . 1 1 17 17 ASN C C 17 174.550 174.550 174.934 -0.384 18834 4719 1 10 . 1 1 17 17 ASN CA C 17 54.349 54.349 54.861 -0.513 18834 4720 1 10 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.458 -0.003 18834 4721 1 10 . 1 1 17 17 ASN H H 17 8.959 8.959 8.704 0.255 18834 4722 1 10 . 1 1 18 18 SER N N 18 112.013 112.013 114.126 -2.113 18834 4723 1 10 . 1 1 18 18 SER HA H 18 4.976 4.976 4.606 0.370 18834 4724 1 10 . 1 1 18 18 SER CA C 18 56.519 56.519 57.935 -1.416 18834 4725 1 10 . 1 1 18 18 SER CB C 18 65.053 65.053 64.118 0.935 18834 4726 1 10 . 1 1 18 18 SER H H 18 7.892 7.892 7.749 0.143 18834 4727 1 10 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.758 -0.502 18834 4728 1 10 . 1 1 19 19 LEU C C 19 176.996 176.996 175.220 1.776 18834 4729 1 10 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.937 1.008 18834 4730 1 10 . 1 1 19 19 LEU CB C 19 43.178 43.178 43.451 -0.273 18834 4731 1 10 . 1 1 20 20 GLY N N 20 105.651 105.651 106.335 -0.684 18834 4732 1 10 . 1 1 20 20 GLY C C 20 176.218 176.218 173.367 2.851 18834 4733 1 10 . 1 1 20 20 GLY CA C 20 46.868 46.868 44.998 1.870 18834 4734 1 10 . 1 1 20 20 GLY H H 20 8.804 8.804 8.192 0.612 18834 4735 1 10 . 1 1 21 21 ILE N N 21 115.348 115.348 119.145 -3.797 18834 4736 1 10 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.409 0.433 18834 4737 1 10 . 1 1 21 21 ILE C C 21 175.987 175.987 175.897 0.090 18834 4738 1 10 . 1 1 21 21 ILE CA C 21 59.795 59.795 59.130 0.665 18834 4739 1 10 . 1 1 21 21 ILE CB C 21 42.334 42.334 38.517 3.817 18834 4740 1 10 . 1 1 21 21 ILE H H 21 7.775 7.775 7.664 0.111 18834 4741 1 10 . 1 1 22 22 CYS N N 22 123.503 123.503 119.461 4.042 18834 4742 1 10 . 1 1 22 22 CYS C C 22 176.187 176.187 174.106 2.081 18834 4743 1 10 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.389 -4.610 18834 4744 1 10 . 1 1 22 22 CYS CB C 22 36.527 36.527 31.617 4.910 18834 4745 1 10 . 1 1 22 22 CYS H H 22 8.533 8.533 8.335 0.198 18834 4746 1 10 . 1 1 23 23 VAL N N 23 114.882 114.882 115.369 -0.487 18834 4747 1 10 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.369 0.079 18834 4748 1 10 . 1 1 23 23 VAL C C 23 174.219 174.219 174.293 -0.074 18834 4749 1 10 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.292 -0.870 18834 4750 1 10 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.637 -0.543 18834 4751 1 10 . 1 1 23 23 VAL H H 23 7.720 7.720 8.428 -0.708 18834 4752 1 10 . 1 1 24 24 THR N N 24 115.462 115.462 113.416 2.046 18834 4753 1 10 . 1 1 24 24 THR HA H 24 4.691 4.691 4.482 0.209 18834 4754 1 10 . 1 1 24 24 THR C C 24 171.649 171.649 173.517 -1.868 18834 4755 1 10 . 1 1 24 24 THR CA C 24 59.560 59.560 60.517 -0.957 18834 4756 1 10 . 1 1 24 24 THR CB C 24 70.573 70.573 69.491 1.082 18834 4757 1 10 . 1 1 24 24 THR H H 24 9.175 9.175 8.328 0.847 18834 4758 1 10 . 1 1 25 25 GLY N N 25 111.734 111.734 110.431 1.303 18834 4759 1 10 . 1 1 25 25 GLY C C 25 174.216 174.216 174.404 -0.188 18834 4760 1 10 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.886 -0.222 18834 4761 1 10 . 1 1 25 25 GLY H H 25 8.323 8.323 8.349 -0.026 18834 4762 1 10 . 1 1 26 26 GLY N N 26 107.524 107.524 109.782 -2.258 18834 4763 1 10 . 1 1 26 26 GLY C C 26 176.306 176.306 175.254 1.052 18834 4764 1 10 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.998 -2.228 18834 4765 1 10 . 1 1 26 26 GLY H H 26 7.541 7.541 7.994 -0.453 18834 4766 1 10 . 1 1 27 27 VAL N N 27 116.903 116.903 123.622 -6.719 18834 4767 1 10 . 1 1 27 27 VAL HA H 27 4.128 4.128 3.975 0.153 18834 4768 1 10 . 1 1 27 27 VAL C C 27 175.716 175.716 176.254 -0.538 18834 4769 1 10 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.778 1.116 18834 4770 1 10 . 1 1 27 27 VAL CB C 27 31.963 31.963 31.039 0.924 18834 4771 1 10 . 1 1 27 27 VAL H H 27 8.055 8.055 7.834 0.221 18834 4772 1 10 . 1 1 28 28 ASN N N 28 117.840 117.840 113.290 4.550 18834 4773 1 10 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.391 0.412 18834 4774 1 10 . 1 1 28 28 ASN C C 28 174.846 174.846 174.934 -0.088 18834 4775 1 10 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.066 -0.586 18834 4776 1 10 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.123 0.631 18834 4777 1 10 . 1 1 28 28 ASN H H 28 8.779 8.779 7.758 1.021 18834 4778 1 10 . 1 1 29 29 THR N N 29 111.408 111.408 113.343 -1.935 18834 4779 1 10 . 1 1 29 29 THR HA H 29 4.690 4.690 4.214 0.476 18834 4780 1 10 . 1 1 29 29 THR CA C 29 61.624 61.624 61.647 -0.023 18834 4781 1 10 . 1 1 29 29 THR CB C 29 70.939 70.939 69.728 1.211 18834 4782 1 10 . 1 1 29 29 THR H H 29 7.857 7.857 7.730 0.127 18834 4783 1 10 . 1 1 30 30 SER N N 30 113.816 113.816 115.278 -1.462 18834 4784 1 10 . 1 1 30 30 SER HA H 30 4.537 4.537 4.073 0.464 18834 4785 1 10 . 1 1 30 30 SER C C 30 174.867 174.867 174.557 0.310 18834 4786 1 10 . 1 1 30 30 SER CA C 30 58.369 58.369 60.359 -1.990 18834 4787 1 10 . 1 1 30 30 SER CB C 30 63.547 63.547 62.833 0.714 18834 4788 1 10 . 1 1 30 30 SER H H 30 8.438 8.438 8.418 0.020 18834 4789 1 10 . 1 1 31 31 VAL N N 31 118.013 118.013 115.960 2.053 18834 4790 1 10 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.690 0.408 18834 4791 1 10 . 1 1 31 31 VAL C C 31 176.528 176.528 176.253 0.275 18834 4792 1 10 . 1 1 31 31 VAL CA C 31 62.070 62.070 61.782 0.288 18834 4793 1 10 . 1 1 31 31 VAL CB C 31 32.507 32.507 31.639 0.868 18834 4794 1 10 . 1 1 31 31 VAL H H 31 7.567 7.567 7.418 0.149 18834 4795 1 10 . 1 1 32 32 ARG N N 32 124.719 124.719 127.500 -2.781 18834 4796 1 10 . 1 1 32 32 ARG HA H 32 4.007 4.007 3.875 0.132 18834 4797 1 10 . 1 1 32 32 ARG CA C 32 58.009 58.009 59.049 -1.040 18834 4798 1 10 . 1 1 32 32 ARG CB C 32 29.571 29.571 30.250 -0.679 18834 4799 1 10 . 1 1 32 32 ARG H H 32 8.501 8.501 8.676 -0.175 18834 4800 1 10 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.526 0.051 18834 4801 1 10 . 1 1 33 33 HIS C C 33 175.064 175.064 175.898 -0.834 18834 4802 1 10 . 1 1 33 33 HIS CA C 33 56.814 56.814 57.328 -0.514 18834 4803 1 10 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.634 -1.543 18834 4804 1 10 . 1 1 34 34 GLY N N 34 109.357 109.357 105.280 4.077 18834 4805 1 10 . 1 1 34 34 GLY C C 34 174.616 174.616 174.566 0.050 18834 4806 1 10 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.268 1.326 18834 4807 1 10 . 1 1 34 34 GLY H H 34 8.469 8.469 7.798 0.671 18834 4808 1 10 . 1 1 35 35 GLY N N 35 104.989 104.989 108.549 -3.560 18834 4809 1 10 . 1 1 35 35 GLY C C 35 170.518 170.518 174.402 -3.884 18834 4810 1 10 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.863 0.778 18834 4811 1 10 . 1 1 35 35 GLY H H 35 7.787 7.787 7.882 -0.095 18834 4812 1 10 . 1 1 36 36 ILE N N 36 119.808 119.808 121.455 -1.647 18834 4813 1 10 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.732 0.014 18834 4814 1 10 . 1 1 36 36 ILE C C 36 174.616 174.616 175.607 -0.991 18834 4815 1 10 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.457 -3.502 18834 4816 1 10 . 1 1 36 36 ILE CB C 36 35.618 35.618 36.792 -1.175 18834 4817 1 10 . 1 1 36 36 ILE H H 36 8.362 8.362 8.069 0.293 18834 4818 1 10 . 1 1 37 37 TYR N N 37 123.168 123.168 127.726 -4.558 18834 4819 1 10 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.824 0.444 18834 4820 1 10 . 1 1 37 37 TYR C C 37 176.069 176.069 175.874 0.195 18834 4821 1 10 . 1 1 37 37 TYR CA C 37 55.959 55.959 56.318 -0.359 18834 4822 1 10 . 1 1 37 37 TYR CB C 37 42.436 42.436 40.712 1.724 18834 4823 1 10 . 1 1 37 37 TYR H H 37 8.904 8.904 9.020 -0.116 18834 4824 1 10 . 1 1 38 38 VAL N N 38 120.273 120.273 122.063 -1.790 18834 4825 1 10 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.265 -0.466 18834 4826 1 10 . 1 1 38 38 VAL C C 38 175.886 175.886 176.569 -0.683 18834 4827 1 10 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.755 1.329 18834 4828 1 10 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.894 0.550 18834 4829 1 10 . 1 1 38 38 VAL H H 38 9.230 9.230 9.129 0.101 18834 4830 1 10 . 1 1 39 39 LYS N N 39 133.619 133.619 129.222 4.397 18834 4831 1 10 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.168 0.221 18834 4832 1 10 . 1 1 39 39 LYS C C 39 174.763 174.763 175.547 -0.784 18834 4833 1 10 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.824 -1.288 18834 4834 1 10 . 1 1 39 39 LYS CB C 39 34.539 34.539 32.974 1.565 18834 4835 1 10 . 1 1 39 39 LYS H H 39 9.584 9.584 8.195 1.389 18834 4836 1 10 . 1 1 40 40 ALA N N 40 117.459 117.459 118.178 -0.719 18834 4837 1 10 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.577 -0.073 18834 4838 1 10 . 1 1 40 40 ALA C C 40 174.686 174.686 174.814 -0.128 18834 4839 1 10 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.825 0.072 18834 4840 1 10 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.427 0.818 18834 4841 1 10 . 1 1 40 40 ALA H H 40 7.584 7.584 7.224 0.360 18834 4842 1 10 . 1 1 41 41 VAL N N 41 120.599 120.599 120.486 0.113 18834 4843 1 10 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.382 -0.003 18834 4844 1 10 . 1 1 41 41 VAL C C 41 175.714 175.714 175.634 0.080 18834 4845 1 10 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.456 -0.307 18834 4846 1 10 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.811 -2.305 18834 4847 1 10 . 1 1 41 41 VAL H H 41 8.747 8.747 8.436 0.311 18834 4848 1 10 . 1 1 42 42 ILE N N 42 127.775 127.775 123.722 4.053 18834 4849 1 10 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.658 -0.531 18834 4850 1 10 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.289 1.537 18834 4851 1 10 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.017 1.199 18834 4852 1 10 . 1 1 42 42 ILE H H 42 7.827 7.827 8.408 -0.581 18834 4853 1 10 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.499 -0.024 18834 4854 1 10 . 1 1 43 43 PRO C C 43 177.234 177.234 176.506 0.728 18834 4855 1 10 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.483 1.694 18834 4856 1 10 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.603 -0.802 18834 4857 1 10 . 1 1 44 44 GLN N N 44 116.932 116.932 113.470 3.462 18834 4858 1 10 . 1 1 44 44 GLN HA H 44 3.848 3.848 4.017 -0.169 18834 4859 1 10 . 1 1 44 44 GLN C C 44 175.628 175.628 175.487 0.141 18834 4860 1 10 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.106 1.035 18834 4861 1 10 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.685 -1.244 18834 4862 1 10 . 1 1 44 44 GLN H H 44 9.388 9.388 8.726 0.662 18834 4863 1 10 . 1 1 45 45 GLY N N 45 106.131 106.131 104.378 1.753 18834 4864 1 10 . 1 1 45 45 GLY C C 45 174.404 174.404 173.791 0.613 18834 4865 1 10 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.564 1.094 18834 4866 1 10 . 1 1 45 45 GLY H H 45 7.875 7.875 7.315 0.560 18834 4867 1 10 . 1 1 46 46 ALA N N 46 121.011 121.011 123.015 -2.004 18834 4868 1 10 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.036 0.015 18834 4869 1 10 . 1 1 46 46 ALA C C 46 180.673 180.673 178.933 1.740 18834 4870 1 10 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.536 -0.491 18834 4871 1 10 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.564 -0.056 18834 4872 1 10 . 1 1 46 46 ALA H H 46 9.017 9.017 8.947 0.070 18834 4873 1 10 . 1 1 47 47 ALA N N 47 118.848 118.848 121.315 -2.467 18834 4874 1 10 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.892 0.176 18834 4875 1 10 . 1 1 47 47 ALA C C 47 180.699 180.699 179.695 1.004 18834 4876 1 10 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.123 -0.206 18834 4877 1 10 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.940 0.690 18834 4878 1 10 . 1 1 47 47 ALA H H 47 7.754 7.754 8.187 -0.433 18834 4879 1 10 . 1 1 48 48 GLU N N 48 124.400 124.400 119.295 5.105 18834 4880 1 10 . 1 1 48 48 GLU HA H 48 3.823 3.823 3.994 -0.171 18834 4881 1 10 . 1 1 48 48 GLU C C 48 178.174 178.174 178.588 -0.414 18834 4882 1 10 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.591 1.318 18834 4883 1 10 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.170 0.589 18834 4884 1 10 . 1 1 48 48 GLU H H 48 9.317 9.317 8.417 0.900 18834 4885 1 10 . 1 1 49 49 SER N N 49 113.388 113.388 113.258 0.130 18834 4886 1 10 . 1 1 49 49 SER HA H 49 4.100 4.100 4.220 -0.120 18834 4887 1 10 . 1 1 49 49 SER C C 49 175.693 175.693 176.809 -1.116 18834 4888 1 10 . 1 1 49 49 SER CA C 49 61.233 61.233 60.590 0.643 18834 4889 1 10 . 1 1 49 49 SER CB C 49 62.780 62.780 63.157 -0.377 18834 4890 1 10 . 1 1 49 49 SER H H 49 8.115 8.115 8.247 -0.132 18834 4891 1 10 . 1 1 50 50 ASP N N 50 120.047 120.047 119.326 0.721 18834 4892 1 10 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.602 -0.224 18834 4893 1 10 . 1 1 50 50 ASP C C 50 177.650 177.650 176.879 0.771 18834 4894 1 10 . 1 1 50 50 ASP CA C 50 57.214 57.214 55.074 2.140 18834 4895 1 10 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.808 2.433 18834 4896 1 10 . 1 1 50 50 ASP H H 50 7.609 7.609 8.251 -0.642 18834 4897 1 10 . 1 1 51 51 GLY N N 51 102.979 102.979 107.420 -4.441 18834 4898 1 10 . 1 1 51 51 GLY C C 51 174.977 174.977 174.638 0.339 18834 4899 1 10 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.714 0.638 18834 4900 1 10 . 1 1 51 51 GLY H H 51 7.372 7.372 7.648 -0.276 18834 4901 1 10 . 1 1 52 52 ARG N N 52 117.579 117.579 118.454 -0.875 18834 4902 1 10 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.401 -0.087 18834 4903 1 10 . 1 1 52 52 ARG C C 52 175.886 175.886 175.288 0.598 18834 4904 1 10 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.793 2.101 18834 4905 1 10 . 1 1 52 52 ARG CB C 52 33.246 33.246 30.794 2.452 18834 4906 1 10 . 1 1 52 52 ARG H H 52 7.966 7.966 7.867 0.099 18834 4907 1 10 . 1 1 53 53 ILE N N 53 120.155 120.155 118.087 2.068 18834 4908 1 10 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.205 0.031 18834 4909 1 10 . 1 1 53 53 ILE C C 53 173.773 173.773 173.510 0.263 18834 4910 1 10 . 1 1 53 53 ILE CA C 53 61.405 61.405 59.930 1.475 18834 4911 1 10 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.839 -2.198 18834 4912 1 10 . 1 1 53 53 ILE H H 53 8.225 8.225 7.238 0.987 18834 4913 1 10 . 1 1 54 54 HIS N N 54 123.751 123.751 122.444 1.307 18834 4914 1 10 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.797 -0.007 18834 4915 1 10 . 1 1 54 54 HIS C C 54 173.696 173.696 174.402 -0.706 18834 4916 1 10 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.197 0.648 18834 4917 1 10 . 1 1 54 54 HIS CB C 54 33.566 33.566 33.587 -0.021 18834 4918 1 10 . 1 1 54 54 HIS H H 54 9.061 9.061 8.033 1.028 18834 4919 1 10 . 1 1 55 55 LYS N N 55 120.590 120.590 119.563 1.027 18834 4920 1 10 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.275 -0.649 18834 4921 1 10 . 1 1 55 55 LYS C C 55 176.916 176.916 177.297 -0.381 18834 4922 1 10 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.777 0.527 18834 4923 1 10 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.906 -0.484 18834 4924 1 10 . 1 1 55 55 LYS H H 55 8.670 8.670 8.577 0.093 18834 4925 1 10 . 1 1 56 56 GLY N N 56 114.645 114.645 111.091 3.554 18834 4926 1 10 . 1 1 56 56 GLY C C 56 174.438 174.438 174.566 -0.128 18834 4927 1 10 . 1 1 56 56 GLY CA C 56 44.762 44.762 45.166 -0.404 18834 4928 1 10 . 1 1 56 56 GLY H H 56 9.201 9.201 8.966 0.235 18834 4929 1 10 . 1 1 57 57 ASP N N 57 121.982 121.982 124.708 -2.726 18834 4930 1 10 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.596 0.291 18834 4931 1 10 . 1 1 57 57 ASP C C 57 174.623 174.623 175.156 -0.533 18834 4932 1 10 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.694 0.142 18834 4933 1 10 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.143 -0.060 18834 4934 1 10 . 1 1 57 57 ASP H H 57 8.058 8.058 7.645 0.413 18834 4935 1 10 . 1 1 58 58 ARG N N 58 123.240 123.240 119.437 3.803 18834 4936 1 10 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.987 -0.372 18834 4937 1 10 . 1 1 58 58 ARG C C 58 175.573 175.573 175.553 0.020 18834 4938 1 10 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.731 -0.210 18834 4939 1 10 . 1 1 58 58 ARG CB C 58 33.701 33.701 33.388 0.313 18834 4940 1 10 . 1 1 58 58 ARG H H 58 9.078 9.078 8.277 0.801 18834 4941 1 10 . 1 1 59 59 VAL N N 59 126.202 126.202 122.038 4.164 18834 4942 1 10 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.165 -0.302 18834 4943 1 10 . 1 1 59 59 VAL C C 59 174.458 174.458 175.580 -1.122 18834 4944 1 10 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.965 -0.762 18834 4945 1 10 . 1 1 59 59 VAL CB C 59 30.998 30.998 31.673 -0.675 18834 4946 1 10 . 1 1 59 59 VAL H H 59 8.897 8.897 8.489 0.408 18834 4947 1 10 . 1 1 60 60 LEU N N 60 127.163 127.163 127.986 -0.823 18834 4948 1 10 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.456 -0.160 18834 4949 1 10 . 1 1 60 60 LEU C C 60 178.289 178.289 176.388 1.901 18834 4950 1 10 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.138 -0.084 18834 4951 1 10 . 1 1 60 60 LEU CB C 60 42.612 42.612 43.023 -0.411 18834 4952 1 10 . 1 1 60 60 LEU H H 60 9.213 9.213 8.628 0.585 18834 4953 1 10 . 1 1 61 61 ALA N N 61 118.886 118.886 117.186 1.700 18834 4954 1 10 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.101 -0.147 18834 4955 1 10 . 1 1 61 61 ALA C C 61 175.288 175.288 175.347 -0.059 18834 4956 1 10 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.403 1.876 18834 4957 1 10 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.458 -0.362 18834 4958 1 10 . 1 1 61 61 ALA H H 61 7.741 7.741 7.324 0.417 18834 4959 1 10 . 1 1 62 62 VAL N N 62 119.929 119.929 120.607 -0.678 18834 4960 1 10 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.236 0.214 18834 4961 1 10 . 1 1 62 62 VAL C C 62 175.323 175.323 176.170 -0.847 18834 4962 1 10 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.823 -0.405 18834 4963 1 10 . 1 1 62 62 VAL CB C 62 34.050 34.050 34.076 -0.026 18834 4964 1 10 . 1 1 62 62 VAL H H 62 8.256 8.256 8.058 0.198 18834 4965 1 10 . 1 1 63 63 ASN N N 63 128.933 128.933 127.346 1.587 18834 4966 1 10 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.417 0.128 18834 4967 1 10 . 1 1 63 63 ASN C C 63 175.197 175.197 175.137 0.060 18834 4968 1 10 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.536 -0.368 18834 4969 1 10 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.998 -1.101 18834 4970 1 10 . 1 1 63 63 ASN H H 63 10.392 10.392 9.201 1.191 18834 4971 1 10 . 1 1 64 64 GLY N N 64 103.413 103.413 103.032 0.381 18834 4972 1 10 . 1 1 64 64 GLY C C 64 173.872 173.872 174.302 -0.430 18834 4973 1 10 . 1 1 64 64 GLY CA C 64 45.171 45.171 44.980 0.191 18834 4974 1 10 . 1 1 64 64 GLY H H 64 9.085 9.085 8.429 0.656 18834 4975 1 10 . 1 1 65 65 VAL N N 65 123.643 123.643 124.367 -0.724 18834 4976 1 10 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.012 -0.064 18834 4977 1 10 . 1 1 65 65 VAL C C 65 175.645 175.645 175.743 -0.098 18834 4978 1 10 . 1 1 65 65 VAL CA C 65 62.136 62.136 62.361 -0.225 18834 4979 1 10 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.775 -0.135 18834 4980 1 10 . 1 1 65 65 VAL H H 65 8.028 8.028 7.945 0.083 18834 4981 1 10 . 1 1 66 66 SER N N 66 120.923 120.923 124.429 -3.506 18834 4982 1 10 . 1 1 66 66 SER HA H 66 4.334 4.334 4.234 0.100 18834 4983 1 10 . 1 1 66 66 SER C C 66 176.388 176.388 173.681 2.707 18834 4984 1 10 . 1 1 66 66 SER CA C 66 58.342 58.342 59.913 -1.571 18834 4985 1 10 . 1 1 66 66 SER CB C 66 63.562 63.562 63.288 0.274 18834 4986 1 10 . 1 1 66 66 SER H H 66 8.647 8.647 8.677 -0.030 18834 4987 1 10 . 1 1 67 67 LEU N N 67 125.116 125.116 125.527 -0.411 18834 4988 1 10 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.689 -0.251 18834 4989 1 10 . 1 1 67 67 LEU C C 67 176.462 176.462 175.965 0.497 18834 4990 1 10 . 1 1 67 67 LEU CA C 67 53.732 53.732 53.957 -0.225 18834 4991 1 10 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.855 -1.966 18834 4992 1 10 . 1 1 67 67 LEU H H 67 8.292 8.292 8.286 0.006 18834 4993 1 10 . 1 1 68 68 GLU N N 68 123.552 123.552 119.561 3.991 18834 4994 1 10 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.060 -0.025 18834 4995 1 10 . 1 1 68 68 GLU C C 68 177.767 177.767 177.232 0.535 18834 4996 1 10 . 1 1 68 68 GLU CA C 68 58.571 58.571 57.478 1.093 18834 4997 1 10 . 1 1 68 68 GLU CB C 68 29.052 29.052 28.815 0.237 18834 4998 1 10 . 1 1 68 68 GLU H H 68 8.305 8.305 7.929 0.376 18834 4999 1 10 . 1 1 69 69 GLY N N 69 115.496 115.496 113.772 1.724 18834 5000 1 10 . 1 1 69 69 GLY C C 69 173.618 173.618 174.160 -0.542 18834 5001 1 10 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.856 0.540 18834 5002 1 10 . 1 1 69 69 GLY H H 69 8.977 8.977 8.553 0.424 18834 5003 1 10 . 1 1 70 70 ALA N N 70 121.999 121.999 124.325 -2.326 18834 5004 1 10 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.695 -0.193 18834 5005 1 10 . 1 1 70 70 ALA C C 70 179.820 179.820 176.598 3.222 18834 5006 1 10 . 1 1 70 70 ALA CA C 70 52.415 52.415 50.998 1.417 18834 5007 1 10 . 1 1 70 70 ALA CB C 70 19.638 19.638 20.758 -1.120 18834 5008 1 10 . 1 1 70 70 ALA H H 70 7.807 7.807 7.939 -0.132 18834 5009 1 10 . 1 1 71 71 THR N N 71 111.294 111.294 112.473 -1.179 18834 5010 1 10 . 1 1 71 71 THR HA H 71 4.515 4.515 4.560 -0.045 18834 5011 1 10 . 1 1 71 71 THR C C 71 174.717 174.717 176.338 -1.621 18834 5012 1 10 . 1 1 71 71 THR CA C 71 60.692 60.692 60.326 0.366 18834 5013 1 10 . 1 1 71 71 THR CB C 71 71.274 71.274 70.909 0.365 18834 5014 1 10 . 1 1 71 71 THR H H 71 8.222 8.222 8.287 -0.065 18834 5015 1 10 . 1 1 72 72 HIS N N 72 121.871 121.871 118.958 2.913 18834 5016 1 10 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.237 -0.377 18834 5017 1 10 . 1 1 72 72 HIS C C 72 176.702 176.702 176.955 -0.253 18834 5018 1 10 . 1 1 72 72 HIS CA C 72 61.983 61.983 60.002 1.981 18834 5019 1 10 . 1 1 72 72 HIS CB C 72 30.047 30.047 28.652 1.395 18834 5020 1 10 . 1 1 72 72 HIS H H 72 9.217 9.217 9.056 0.161 18834 5021 1 10 . 1 1 73 73 LYS N N 73 116.941 116.941 119.612 -2.671 18834 5022 1 10 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.801 0.023 18834 5023 1 10 . 1 1 73 73 LYS C C 73 178.288 178.288 179.170 -0.882 18834 5024 1 10 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.052 0.298 18834 5025 1 10 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.430 1.381 18834 5026 1 10 . 1 1 73 73 LYS H H 73 8.429 8.429 7.667 0.762 18834 5027 1 10 . 1 1 74 74 GLN N N 74 116.915 116.915 118.532 -1.617 18834 5028 1 10 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.903 -0.034 18834 5029 1 10 . 1 1 74 74 GLN C C 74 179.732 179.732 178.656 1.076 18834 5030 1 10 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.945 -0.346 18834 5031 1 10 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.407 -0.056 18834 5032 1 10 . 1 1 74 74 GLN H H 74 7.660 7.660 7.705 -0.045 18834 5033 1 10 . 1 1 75 75 ALA N N 75 122.673 122.673 122.770 -0.097 18834 5034 1 10 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.931 -0.143 18834 5035 1 10 . 1 1 75 75 ALA C C 75 179.078 179.078 179.587 -0.509 18834 5036 1 10 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.507 0.059 18834 5037 1 10 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.451 0.400 18834 5038 1 10 . 1 1 75 75 ALA H H 75 8.379 8.379 8.239 0.140 18834 5039 1 10 . 1 1 76 76 VAL N N 76 112.831 112.831 115.062 -2.231 18834 5040 1 10 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.825 -0.320 18834 5041 1 10 . 1 1 76 76 VAL CA C 76 65.895 65.895 65.416 0.479 18834 5042 1 10 . 1 1 76 76 VAL CB C 76 30.691 30.691 30.969 -0.278 18834 5043 1 10 . 1 1 76 76 VAL H H 76 8.239 8.239 7.804 0.435 18834 5044 1 10 . 1 1 77 77 CYS C C 77 177.150 177.150 177.242 -0.092 18834 5045 1 10 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.169 -2.778 18834 5046 1 10 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.475 10.307 18834 5047 1 10 . 1 1 78 78 THR N N 78 117.507 117.507 116.647 0.860 18834 5048 1 10 . 1 1 78 78 THR HA H 78 3.858 3.858 4.052 -0.194 18834 5049 1 10 . 1 1 78 78 THR C C 78 176.460 176.460 175.606 0.854 18834 5050 1 10 . 1 1 78 78 THR CA C 78 67.123 67.123 66.098 1.025 18834 5051 1 10 . 1 1 78 78 THR CB C 78 68.123 68.123 68.763 -0.640 18834 5052 1 10 . 1 1 78 78 THR H H 78 8.015 8.015 8.120 -0.105 18834 5053 1 10 . 1 1 79 79 LEU N N 79 119.666 119.666 121.651 -1.985 18834 5054 1 10 . 1 1 79 79 LEU HA H 79 3.750 3.750 4.046 -0.296 18834 5055 1 10 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.579 0.611 18834 5056 1 10 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.812 0.260 18834 5057 1 10 . 1 1 79 79 LEU H H 79 7.984 7.984 7.699 0.285 18834 5058 1 10 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.028 0.169 18834 5059 1 10 . 1 1 80 80 ARG C C 80 177.750 177.750 178.573 -0.823 18834 5060 1 10 . 1 1 80 80 ARG CA C 80 58.307 58.307 59.429 -1.123 18834 5061 1 10 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.448 -0.356 18834 5062 1 10 . 1 1 81 81 ASN N N 81 119.843 119.843 119.350 0.493 18834 5063 1 10 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.674 0.310 18834 5064 1 10 . 1 1 81 81 ASN C C 81 174.819 174.819 174.965 -0.146 18834 5065 1 10 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.641 -0.528 18834 5066 1 10 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.028 0.640 18834 5067 1 10 . 1 1 81 81 ASN H H 81 7.648 7.648 7.907 -0.259 18834 5068 1 10 . 1 1 82 82 THR N N 82 109.907 109.907 112.343 -2.436 18834 5069 1 10 . 1 1 82 82 THR HA H 82 4.447 4.447 4.700 -0.253 18834 5070 1 10 . 1 1 82 82 THR C C 82 175.114 175.114 174.612 0.502 18834 5071 1 10 . 1 1 82 82 THR CA C 82 59.944 59.944 60.760 -0.816 18834 5072 1 10 . 1 1 82 82 THR CB C 82 72.611 72.611 71.362 1.249 18834 5073 1 10 . 1 1 82 82 THR H H 82 7.668 7.668 7.787 -0.119 18834 5074 1 10 . 1 1 83 83 GLY N N 83 109.505 109.505 107.485 2.020 18834 5075 1 10 . 1 1 83 83 GLY C C 83 173.467 173.467 174.987 -1.520 18834 5076 1 10 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.134 -0.042 18834 5077 1 10 . 1 1 83 83 GLY H H 83 8.421 8.421 8.575 -0.154 18834 5078 1 10 . 1 1 84 84 GLN N N 84 117.276 117.276 119.390 -2.114 18834 5079 1 10 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.089 -0.126 18834 5080 1 10 . 1 1 84 84 GLN C C 84 175.254 175.254 176.552 -1.298 18834 5081 1 10 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.384 0.059 18834 5082 1 10 . 1 1 84 84 GLN CB C 84 28.973 28.973 28.994 -0.021 18834 5083 1 10 . 1 1 84 84 GLN H H 84 8.224 8.224 8.591 -0.367 18834 5084 1 10 . 1 1 85 85 VAL N N 85 116.186 116.186 116.922 -0.736 18834 5085 1 10 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.113 0.541 18834 5086 1 10 . 1 1 85 85 VAL C C 85 175.879 175.879 175.042 0.837 18834 5087 1 10 . 1 1 85 85 VAL CA C 85 61.298 61.298 62.047 -0.749 18834 5088 1 10 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.118 0.012 18834 5089 1 10 . 1 1 85 85 VAL H H 85 7.699 7.699 7.679 0.020 18834 5090 1 10 . 1 1 86 86 VAL N N 86 128.499 128.499 124.529 3.970 18834 5091 1 10 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.312 0.135 18834 5092 1 10 . 1 1 86 86 VAL C C 86 173.365 173.365 174.481 -1.116 18834 5093 1 10 . 1 1 86 86 VAL CA C 86 60.965 60.965 61.386 -0.421 18834 5094 1 10 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.113 1.874 18834 5095 1 10 . 1 1 86 86 VAL H H 86 9.043 9.043 9.129 -0.086 18834 5096 1 10 . 1 1 87 87 HIS N N 87 126.357 126.357 128.376 -2.019 18834 5097 1 10 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.424 -0.428 18834 5098 1 10 . 1 1 87 87 HIS C C 87 174.387 174.387 173.786 0.601 18834 5099 1 10 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.454 1.348 18834 5100 1 10 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.865 -0.686 18834 5101 1 10 . 1 1 87 87 HIS H H 87 8.855 8.855 8.845 0.010 18834 5102 1 10 . 1 1 88 88 LEU N N 88 126.780 126.780 124.636 2.144 18834 5103 1 10 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.749 0.211 18834 5104 1 10 . 1 1 88 88 LEU C C 88 173.365 173.365 173.908 -0.543 18834 5105 1 10 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.293 0.201 18834 5106 1 10 . 1 1 88 88 LEU CB C 88 45.187 45.187 43.697 1.490 18834 5107 1 10 . 1 1 88 88 LEU H H 88 9.016 9.016 7.754 1.262 18834 5108 1 10 . 1 1 89 89 LEU N N 89 124.435 124.435 123.067 1.368 18834 5109 1 10 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.395 0.326 18834 5110 1 10 . 1 1 89 89 LEU C C 89 175.213 175.213 176.369 -1.156 18834 5111 1 10 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.315 -0.654 18834 5112 1 10 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.564 2.827 18834 5113 1 10 . 1 1 89 89 LEU H H 89 7.965 7.965 7.948 0.017 18834 5114 1 10 . 1 1 90 90 LEU N N 90 127.444 127.444 117.445 9.999 18834 5115 1 10 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.390 -0.107 18834 5116 1 10 . 1 1 90 90 LEU C C 90 173.560 173.560 175.180 -1.620 18834 5117 1 10 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.106 1.982 18834 5118 1 10 . 1 1 90 90 LEU CB C 90 45.956 45.956 44.991 0.965 18834 5119 1 10 . 1 1 90 90 LEU H H 90 8.909 8.909 7.749 1.160 18834 5120 1 10 . 1 1 91 91 GLU N N 91 118.954 118.954 115.805 3.149 18834 5121 1 10 . 1 1 91 91 GLU HA H 91 5.062 5.062 5.109 -0.047 18834 5122 1 10 . 1 1 91 91 GLU C C 91 176.652 176.652 176.301 0.351 18834 5123 1 10 . 1 1 91 91 GLU CA C 91 53.787 53.787 53.708 0.079 18834 5124 1 10 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.061 0.785 18834 5125 1 10 . 1 1 91 91 GLU H H 91 8.813 8.813 8.552 0.261 18834 5126 1 10 . 1 1 92 92 LYS N N 92 129.055 129.055 121.951 7.104 18834 5127 1 10 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.296 0.091 18834 5128 1 10 . 1 1 92 92 LYS C C 92 178.000 178.000 177.371 0.629 18834 5129 1 10 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.754 -0.492 18834 5130 1 10 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.581 -0.511 18834 5131 1 10 . 1 1 92 92 LYS H H 92 9.362 9.362 8.896 0.466 18834 5132 1 10 . 1 1 93 93 GLY N N 93 117.893 117.893 110.570 7.323 18834 5133 1 10 . 1 1 93 93 GLY C C 93 173.147 173.147 174.787 -1.640 18834 5134 1 10 . 1 1 93 93 GLY CA C 93 45.173 45.173 44.739 0.434 18834 5135 1 10 . 1 1 93 93 GLY H H 93 9.698 9.698 9.551 0.147 18834 5136 1 10 . 1 1 94 94 GLN N N 94 116.797 116.797 119.611 -2.814 18834 5137 1 10 . 1 1 94 94 GLN HA H 94 4.262 4.262 3.725 0.537 18834 5138 1 10 . 1 1 94 94 GLN C C 94 175.942 175.942 176.431 -0.489 18834 5139 1 10 . 1 1 94 94 GLN CA C 94 55.514 55.514 58.136 -2.622 18834 5140 1 10 . 1 1 94 94 GLN CB C 94 29.688 29.688 27.185 2.503 18834 5141 1 10 . 1 1 94 94 GLN H H 94 8.252 8.252 8.308 -0.056 18834 5142 1 10 . 1 1 95 95 SER N N 95 118.117 118.117 115.989 2.128 18834 5143 1 10 . 1 1 95 95 SER HA H 95 4.658 4.658 4.654 0.004 18834 5144 1 10 . 1 1 95 95 SER CA C 95 56.588 56.588 55.967 0.621 18834 5145 1 10 . 1 1 95 95 SER CB C 95 63.194 63.194 63.045 0.149 18834 5146 1 10 . 1 1 95 95 SER H H 95 8.377 8.377 8.271 0.106 18834 5147 1 10 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.598 -0.121 18834 5148 1 10 . 1 1 96 96 PRO C C 96 176.291 176.291 176.432 -0.141 18834 5149 1 10 . 1 1 96 96 PRO CA C 96 63.511 63.511 63.568 -0.057 18834 5150 1 10 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.029 -0.076 18834 5151 1 11 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.421 0.052 18834 5152 1 11 . 1 1 2 2 PRO C C 2 175.857 175.857 176.098 -0.241 18834 5153 1 11 . 1 1 2 2 PRO CA C 2 62.843 62.843 61.814 1.029 18834 5154 1 11 . 1 1 2 2 PRO CB C 2 32.268 32.268 31.968 0.300 18834 5155 1 11 . 1 1 3 3 LYS N N 3 124.698 124.698 121.103 3.595 18834 5156 1 11 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.571 0.019 18834 5157 1 11 . 1 1 3 3 LYS CA C 3 53.618 53.618 54.272 -0.654 18834 5158 1 11 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.276 -0.720 18834 5159 1 11 . 1 1 3 3 LYS H H 3 8.952 8.952 7.968 0.984 18834 5160 1 11 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.236 -0.292 18834 5161 1 11 . 1 1 4 4 PRO C C 4 177.504 177.504 177.155 0.349 18834 5162 1 11 . 1 1 4 4 PRO CA C 4 64.544 64.544 63.938 0.606 18834 5163 1 11 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.161 0.609 18834 5164 1 11 . 1 1 5 5 GLY N N 5 113.728 113.728 113.604 0.124 18834 5165 1 11 . 1 1 5 5 GLY C C 5 174.146 174.146 173.867 0.279 18834 5166 1 11 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.924 0.109 18834 5167 1 11 . 1 1 5 5 GLY H H 5 9.011 9.011 8.300 0.711 18834 5168 1 11 . 1 1 6 6 ASP N N 6 121.776 121.776 121.618 0.158 18834 5169 1 11 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.815 -0.145 18834 5170 1 11 . 1 1 6 6 ASP C C 6 175.673 175.673 175.802 -0.129 18834 5171 1 11 . 1 1 6 6 ASP CA C 6 54.918 54.918 53.376 1.542 18834 5172 1 11 . 1 1 6 6 ASP CB C 6 41.446 41.446 42.052 -0.606 18834 5173 1 11 . 1 1 6 6 ASP H H 6 8.468 8.468 8.164 0.304 18834 5174 1 11 . 1 1 7 7 ILE N N 7 121.570 121.570 123.732 -2.162 18834 5175 1 11 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.837 0.494 18834 5176 1 11 . 1 1 7 7 ILE C C 7 176.824 176.824 175.671 1.153 18834 5177 1 11 . 1 1 7 7 ILE CA C 7 59.601 59.601 59.352 0.249 18834 5178 1 11 . 1 1 7 7 ILE CB C 7 38.254 38.254 37.257 0.997 18834 5179 1 11 . 1 1 7 7 ILE H H 7 8.362 8.362 8.364 -0.002 18834 5180 1 11 . 1 1 8 8 PHE N N 8 125.816 125.816 124.191 1.625 18834 5181 1 11 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.113 -0.041 18834 5182 1 11 . 1 1 8 8 PHE C C 8 171.149 171.149 173.512 -2.363 18834 5183 1 11 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.259 0.270 18834 5184 1 11 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.649 -0.337 18834 5185 1 11 . 1 1 8 8 PHE H H 8 9.476 9.476 8.627 0.849 18834 5186 1 11 . 1 1 9 9 GLU N N 9 118.961 118.961 120.317 -1.356 18834 5187 1 11 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.540 0.673 18834 5188 1 11 . 1 1 9 9 GLU C C 9 175.995 175.995 175.766 0.229 18834 5189 1 11 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.533 -1.544 18834 5190 1 11 . 1 1 9 9 GLU CB C 9 33.428 33.428 32.398 1.030 18834 5191 1 11 . 1 1 9 9 GLU H H 9 8.490 8.490 8.625 -0.135 18834 5192 1 11 . 1 1 10 10 VAL N N 10 119.964 119.964 117.151 2.813 18834 5193 1 11 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.628 -0.491 18834 5194 1 11 . 1 1 10 10 VAL C C 10 173.221 173.221 173.865 -0.644 18834 5195 1 11 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.560 1.531 18834 5196 1 11 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.310 1.456 18834 5197 1 11 . 1 1 10 10 VAL H H 10 8.577 8.577 7.936 0.641 18834 5198 1 11 . 1 1 11 11 GLU N N 11 126.219 126.219 123.753 2.466 18834 5199 1 11 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.198 -0.243 18834 5200 1 11 . 1 1 11 11 GLU C C 11 174.538 174.538 175.533 -0.995 18834 5201 1 11 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.654 0.208 18834 5202 1 11 . 1 1 11 11 GLU CB C 11 30.836 30.836 30.650 0.186 18834 5203 1 11 . 1 1 11 11 GLU H H 11 7.794 7.794 8.342 -0.548 18834 5204 1 11 . 1 1 12 12 LEU N N 12 126.212 126.212 126.096 0.116 18834 5205 1 11 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.739 -0.093 18834 5206 1 11 . 1 1 12 12 LEU C C 12 173.916 173.916 175.362 -1.446 18834 5207 1 11 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.741 -0.604 18834 5208 1 11 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.633 -0.507 18834 5209 1 11 . 1 1 12 12 LEU H H 12 8.848 8.848 8.312 0.536 18834 5210 1 11 . 1 1 13 13 ALA N N 13 126.357 126.357 125.086 1.271 18834 5211 1 11 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.482 0.613 18834 5212 1 11 . 1 1 13 13 ALA C C 13 177.352 177.352 177.122 0.230 18834 5213 1 11 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.557 -1.637 18834 5214 1 11 . 1 1 13 13 ALA CB C 13 19.377 19.377 20.240 -0.863 18834 5215 1 11 . 1 1 13 13 ALA H H 13 8.494 8.494 8.520 -0.026 18834 5216 1 11 . 1 1 14 14 LYS N N 14 120.000 120.000 120.444 -0.444 18834 5217 1 11 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.058 -0.306 18834 5218 1 11 . 1 1 14 14 LYS C C 14 176.313 176.313 176.717 -0.404 18834 5219 1 11 . 1 1 14 14 LYS CA C 14 57.762 57.762 58.107 -0.345 18834 5220 1 11 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.066 1.403 18834 5221 1 11 . 1 1 14 14 LYS H H 14 8.496 8.496 8.209 0.287 18834 5222 1 11 . 1 1 15 15 ASN N N 15 117.473 117.473 116.669 0.804 18834 5223 1 11 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.459 0.458 18834 5224 1 11 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.545 -1.058 18834 5225 1 11 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.317 2.367 18834 5226 1 11 . 1 1 15 15 ASN H H 15 8.079 8.079 8.347 -0.268 18834 5227 1 11 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.370 -0.111 18834 5228 1 11 . 1 1 16 16 ASP C C 16 175.515 175.515 176.023 -0.508 18834 5229 1 11 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.118 0.402 18834 5230 1 11 . 1 1 16 16 ASP CB C 16 39.303 39.303 39.391 -0.088 18834 5231 1 11 . 1 1 17 17 ASN N N 17 110.160 110.160 112.339 -2.179 18834 5232 1 11 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.196 0.036 18834 5233 1 11 . 1 1 17 17 ASN C C 17 174.550 174.550 173.983 0.567 18834 5234 1 11 . 1 1 17 17 ASN CA C 17 54.349 54.349 55.142 -0.793 18834 5235 1 11 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.322 0.133 18834 5236 1 11 . 1 1 17 17 ASN H H 17 8.959 8.959 8.568 0.391 18834 5237 1 11 . 1 1 18 18 SER N N 18 112.013 112.013 114.540 -2.527 18834 5238 1 11 . 1 1 18 18 SER HA H 18 4.976 4.976 4.610 0.366 18834 5239 1 11 . 1 1 18 18 SER CA C 18 56.519 56.519 56.597 -0.078 18834 5240 1 11 . 1 1 18 18 SER CB C 18 65.053 65.053 63.803 1.250 18834 5241 1 11 . 1 1 18 18 SER H H 18 7.892 7.892 7.458 0.434 18834 5242 1 11 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.568 -0.312 18834 5243 1 11 . 1 1 19 19 LEU C C 19 176.996 176.996 177.730 -0.734 18834 5244 1 11 . 1 1 19 19 LEU CA C 19 55.945 55.945 55.603 0.342 18834 5245 1 11 . 1 1 19 19 LEU CB C 19 43.178 43.178 42.216 0.962 18834 5246 1 11 . 1 1 20 20 GLY N N 20 105.651 105.651 105.159 0.492 18834 5247 1 11 . 1 1 20 20 GLY C C 20 176.218 176.218 174.630 1.588 18834 5248 1 11 . 1 1 20 20 GLY CA C 20 46.868 46.868 45.406 1.462 18834 5249 1 11 . 1 1 20 20 GLY H H 20 8.804 8.804 8.470 0.334 18834 5250 1 11 . 1 1 21 21 ILE N N 21 115.348 115.348 119.783 -4.435 18834 5251 1 11 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.155 0.687 18834 5252 1 11 . 1 1 21 21 ILE C C 21 175.987 175.987 176.086 -0.099 18834 5253 1 11 . 1 1 21 21 ILE CA C 21 59.795 59.795 59.788 0.007 18834 5254 1 11 . 1 1 21 21 ILE CB C 21 42.334 42.334 38.418 3.916 18834 5255 1 11 . 1 1 21 21 ILE H H 21 7.775 7.775 7.446 0.329 18834 5256 1 11 . 1 1 22 22 CYS N N 22 123.503 123.503 119.645 3.858 18834 5257 1 11 . 1 1 22 22 CYS C C 22 176.187 176.187 173.373 2.814 18834 5258 1 11 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.175 -4.396 18834 5259 1 11 . 1 1 22 22 CYS CB C 22 36.527 36.527 31.316 5.211 18834 5260 1 11 . 1 1 22 22 CYS H H 22 8.533 8.533 8.332 0.201 18834 5261 1 11 . 1 1 23 23 VAL N N 23 114.882 114.882 114.817 0.065 18834 5262 1 11 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.313 0.135 18834 5263 1 11 . 1 1 23 23 VAL C C 23 174.219 174.219 174.254 -0.035 18834 5264 1 11 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.274 -0.852 18834 5265 1 11 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.208 -0.114 18834 5266 1 11 . 1 1 23 23 VAL H H 23 7.720 7.720 8.294 -0.574 18834 5267 1 11 . 1 1 24 24 THR N N 24 115.462 115.462 114.625 0.837 18834 5268 1 11 . 1 1 24 24 THR HA H 24 4.691 4.691 4.577 0.114 18834 5269 1 11 . 1 1 24 24 THR C C 24 171.649 171.649 173.170 -1.521 18834 5270 1 11 . 1 1 24 24 THR CA C 24 59.560 59.560 60.204 -0.644 18834 5271 1 11 . 1 1 24 24 THR CB C 24 70.573 70.573 70.463 0.110 18834 5272 1 11 . 1 1 24 24 THR H H 24 9.175 9.175 8.340 0.835 18834 5273 1 11 . 1 1 25 25 GLY N N 25 111.734 111.734 109.853 1.881 18834 5274 1 11 . 1 1 25 25 GLY C C 25 174.216 174.216 173.548 0.668 18834 5275 1 11 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.772 -0.108 18834 5276 1 11 . 1 1 25 25 GLY H H 25 8.323 8.323 8.432 -0.109 18834 5277 1 11 . 1 1 26 26 GLY N N 26 107.524 107.524 109.170 -1.646 18834 5278 1 11 . 1 1 26 26 GLY C C 26 176.306 176.306 175.669 0.637 18834 5279 1 11 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.302 -1.532 18834 5280 1 11 . 1 1 26 26 GLY H H 26 7.541 7.541 7.738 -0.197 18834 5281 1 11 . 1 1 27 27 VAL N N 27 116.903 116.903 124.173 -7.270 18834 5282 1 11 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.061 0.067 18834 5283 1 11 . 1 1 27 27 VAL C C 27 175.716 175.716 176.341 -0.625 18834 5284 1 11 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.594 1.300 18834 5285 1 11 . 1 1 27 27 VAL CB C 27 31.963 31.963 30.497 1.466 18834 5286 1 11 . 1 1 27 27 VAL H H 27 8.055 8.055 8.398 -0.343 18834 5287 1 11 . 1 1 28 28 ASN N N 28 117.840 117.840 111.635 6.205 18834 5288 1 11 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.540 0.263 18834 5289 1 11 . 1 1 28 28 ASN C C 28 174.846 174.846 175.268 -0.422 18834 5290 1 11 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.178 -0.699 18834 5291 1 11 . 1 1 28 28 ASN CB C 28 37.754 37.754 36.471 1.283 18834 5292 1 11 . 1 1 28 28 ASN H H 28 8.779 8.779 8.266 0.513 18834 5293 1 11 . 1 1 29 29 THR N N 29 111.408 111.408 113.879 -2.471 18834 5294 1 11 . 1 1 29 29 THR HA H 29 4.690 4.690 4.128 0.562 18834 5295 1 11 . 1 1 29 29 THR CA C 29 61.624 61.624 62.268 -0.644 18834 5296 1 11 . 1 1 29 29 THR CB C 29 70.939 70.939 69.440 1.499 18834 5297 1 11 . 1 1 29 29 THR H H 29 7.857 7.857 7.728 0.129 18834 5298 1 11 . 1 1 30 30 SER N N 30 113.816 113.816 114.662 -0.846 18834 5299 1 11 . 1 1 30 30 SER HA H 30 4.537 4.537 4.029 0.508 18834 5300 1 11 . 1 1 30 30 SER C C 30 174.867 174.867 174.519 0.348 18834 5301 1 11 . 1 1 30 30 SER CA C 30 58.369 58.369 60.451 -2.082 18834 5302 1 11 . 1 1 30 30 SER CB C 30 63.547 63.547 63.037 0.510 18834 5303 1 11 . 1 1 30 30 SER H H 30 8.438 8.438 8.318 0.120 18834 5304 1 11 . 1 1 31 31 VAL N N 31 118.013 118.013 115.290 2.723 18834 5305 1 11 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.898 0.200 18834 5306 1 11 . 1 1 31 31 VAL C C 31 176.528 176.528 175.727 0.801 18834 5307 1 11 . 1 1 31 31 VAL CA C 31 62.070 62.070 60.963 1.107 18834 5308 1 11 . 1 1 31 31 VAL CB C 31 32.507 32.507 31.926 0.581 18834 5309 1 11 . 1 1 31 31 VAL H H 31 7.567 7.567 7.334 0.233 18834 5310 1 11 . 1 1 32 32 ARG N N 32 124.719 124.719 125.557 -0.838 18834 5311 1 11 . 1 1 32 32 ARG HA H 32 4.007 4.007 4.223 -0.216 18834 5312 1 11 . 1 1 32 32 ARG CA C 32 58.009 58.009 57.883 0.126 18834 5313 1 11 . 1 1 32 32 ARG CB C 32 29.571 29.571 30.132 -0.561 18834 5314 1 11 . 1 1 32 32 ARG H H 32 8.501 8.501 8.822 -0.321 18834 5315 1 11 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.439 0.138 18834 5316 1 11 . 1 1 33 33 HIS C C 33 175.064 175.064 176.016 -0.952 18834 5317 1 11 . 1 1 33 33 HIS CA C 33 56.814 56.814 57.770 -0.956 18834 5318 1 11 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.106 -1.015 18834 5319 1 11 . 1 1 34 34 GLY N N 34 109.357 109.357 105.928 3.429 18834 5320 1 11 . 1 1 34 34 GLY C C 34 174.616 174.616 174.390 0.226 18834 5321 1 11 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.187 1.407 18834 5322 1 11 . 1 1 34 34 GLY H H 34 8.469 8.469 8.331 0.138 18834 5323 1 11 . 1 1 35 35 GLY N N 35 104.989 104.989 107.567 -2.578 18834 5324 1 11 . 1 1 35 35 GLY C C 35 170.518 170.518 173.087 -2.569 18834 5325 1 11 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.297 1.344 18834 5326 1 11 . 1 1 35 35 GLY H H 35 7.787 7.787 7.898 -0.111 18834 5327 1 11 . 1 1 36 36 ILE N N 36 119.808 119.808 119.769 0.039 18834 5328 1 11 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.730 0.016 18834 5329 1 11 . 1 1 36 36 ILE C C 36 174.616 174.616 175.064 -0.448 18834 5330 1 11 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.373 -3.418 18834 5331 1 11 . 1 1 36 36 ILE CB C 36 35.618 35.618 39.706 -4.088 18834 5332 1 11 . 1 1 36 36 ILE H H 36 8.362 8.362 7.744 0.618 18834 5333 1 11 . 1 1 37 37 TYR N N 37 123.168 123.168 127.215 -4.047 18834 5334 1 11 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.981 0.287 18834 5335 1 11 . 1 1 37 37 TYR C C 37 176.069 176.069 175.679 0.390 18834 5336 1 11 . 1 1 37 37 TYR CA C 37 55.959 55.959 54.776 1.183 18834 5337 1 11 . 1 1 37 37 TYR CB C 37 42.436 42.436 40.784 1.652 18834 5338 1 11 . 1 1 37 37 TYR H H 37 8.904 8.904 9.209 -0.305 18834 5339 1 11 . 1 1 38 38 VAL N N 38 120.273 120.273 121.938 -1.665 18834 5340 1 11 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.242 -0.443 18834 5341 1 11 . 1 1 38 38 VAL C C 38 175.886 175.886 176.484 -0.598 18834 5342 1 11 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.591 1.493 18834 5343 1 11 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.791 0.652 18834 5344 1 11 . 1 1 38 38 VAL H H 38 9.230 9.230 9.157 0.073 18834 5345 1 11 . 1 1 39 39 LYS N N 39 133.619 133.619 129.203 4.416 18834 5346 1 11 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.122 0.267 18834 5347 1 11 . 1 1 39 39 LYS C C 39 174.763 174.763 175.543 -0.780 18834 5348 1 11 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.999 -1.463 18834 5349 1 11 . 1 1 39 39 LYS CB C 39 34.539 34.539 32.993 1.546 18834 5350 1 11 . 1 1 39 39 LYS H H 39 9.584 9.584 8.179 1.405 18834 5351 1 11 . 1 1 40 40 ALA N N 40 117.459 117.459 118.014 -0.555 18834 5352 1 11 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.508 -0.004 18834 5353 1 11 . 1 1 40 40 ALA C C 40 174.686 174.686 174.667 0.019 18834 5354 1 11 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.823 0.074 18834 5355 1 11 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.350 0.895 18834 5356 1 11 . 1 1 40 40 ALA H H 40 7.584 7.584 7.187 0.397 18834 5357 1 11 . 1 1 41 41 VAL N N 41 120.599 120.599 119.919 0.680 18834 5358 1 11 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.381 -0.002 18834 5359 1 11 . 1 1 41 41 VAL C C 41 175.714 175.714 175.444 0.270 18834 5360 1 11 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.205 -0.056 18834 5361 1 11 . 1 1 41 41 VAL CB C 41 32.506 32.506 35.193 -2.687 18834 5362 1 11 . 1 1 41 41 VAL H H 41 8.747 8.747 8.368 0.379 18834 5363 1 11 . 1 1 42 42 ILE N N 42 127.775 127.775 122.421 5.354 18834 5364 1 11 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.636 -0.509 18834 5365 1 11 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.393 1.433 18834 5366 1 11 . 1 1 42 42 ILE CB C 42 38.216 38.216 36.927 1.289 18834 5367 1 11 . 1 1 42 42 ILE H H 42 7.827 7.827 8.408 -0.581 18834 5368 1 11 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.513 -0.038 18834 5369 1 11 . 1 1 43 43 PRO C C 43 177.234 177.234 176.426 0.808 18834 5370 1 11 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.736 1.441 18834 5371 1 11 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.574 -0.773 18834 5372 1 11 . 1 1 44 44 GLN N N 44 116.932 116.932 113.566 3.366 18834 5373 1 11 . 1 1 44 44 GLN HA H 44 3.848 3.848 4.026 -0.178 18834 5374 1 11 . 1 1 44 44 GLN C C 44 175.628 175.628 175.655 -0.027 18834 5375 1 11 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.017 1.123 18834 5376 1 11 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.589 -1.148 18834 5377 1 11 . 1 1 44 44 GLN H H 44 9.388 9.388 8.718 0.670 18834 5378 1 11 . 1 1 45 45 GLY N N 45 106.131 106.131 104.343 1.788 18834 5379 1 11 . 1 1 45 45 GLY C C 45 174.404 174.404 173.789 0.615 18834 5380 1 11 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.654 1.004 18834 5381 1 11 . 1 1 45 45 GLY H H 45 7.875 7.875 7.331 0.544 18834 5382 1 11 . 1 1 46 46 ALA N N 46 121.011 121.011 123.244 -2.233 18834 5383 1 11 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.025 0.026 18834 5384 1 11 . 1 1 46 46 ALA C C 46 180.673 180.673 178.962 1.711 18834 5385 1 11 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.286 -0.241 18834 5386 1 11 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.591 -0.083 18834 5387 1 11 . 1 1 46 46 ALA H H 46 9.017 9.017 8.923 0.094 18834 5388 1 11 . 1 1 47 47 ALA N N 47 118.848 118.848 121.442 -2.594 18834 5389 1 11 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.939 0.129 18834 5390 1 11 . 1 1 47 47 ALA C C 47 180.699 180.699 179.779 0.920 18834 5391 1 11 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.282 -0.365 18834 5392 1 11 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.834 0.796 18834 5393 1 11 . 1 1 47 47 ALA H H 47 7.754 7.754 8.466 -0.712 18834 5394 1 11 . 1 1 48 48 GLU N N 48 124.400 124.400 118.835 5.565 18834 5395 1 11 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.121 -0.298 18834 5396 1 11 . 1 1 48 48 GLU C C 48 178.174 178.174 178.709 -0.535 18834 5397 1 11 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.547 1.363 18834 5398 1 11 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.274 0.485 18834 5399 1 11 . 1 1 48 48 GLU H H 48 9.317 9.317 8.504 0.813 18834 5400 1 11 . 1 1 49 49 SER N N 49 113.388 113.388 113.099 0.289 18834 5401 1 11 . 1 1 49 49 SER HA H 49 4.100 4.100 4.247 -0.147 18834 5402 1 11 . 1 1 49 49 SER C C 49 175.693 175.693 176.804 -1.111 18834 5403 1 11 . 1 1 49 49 SER CA C 49 61.233 61.233 60.943 0.290 18834 5404 1 11 . 1 1 49 49 SER CB C 49 62.780 62.780 63.274 -0.494 18834 5405 1 11 . 1 1 49 49 SER H H 49 8.115 8.115 8.191 -0.076 18834 5406 1 11 . 1 1 50 50 ASP N N 50 120.047 120.047 119.323 0.724 18834 5407 1 11 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.591 -0.213 18834 5408 1 11 . 1 1 50 50 ASP C C 50 177.650 177.650 177.129 0.521 18834 5409 1 11 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.479 2.735 18834 5410 1 11 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.697 2.544 18834 5411 1 11 . 1 1 50 50 ASP H H 50 7.609 7.609 8.208 -0.599 18834 5412 1 11 . 1 1 51 51 GLY N N 51 102.979 102.979 107.663 -4.684 18834 5413 1 11 . 1 1 51 51 GLY C C 51 174.977 174.977 174.866 0.111 18834 5414 1 11 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.641 0.711 18834 5415 1 11 . 1 1 51 51 GLY H H 51 7.372 7.372 7.629 -0.257 18834 5416 1 11 . 1 1 52 52 ARG N N 52 117.579 117.579 117.980 -0.401 18834 5417 1 11 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.596 -0.282 18834 5418 1 11 . 1 1 52 52 ARG C C 52 175.886 175.886 175.586 0.300 18834 5419 1 11 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.581 2.313 18834 5420 1 11 . 1 1 52 52 ARG CB C 52 33.246 33.246 31.388 1.858 18834 5421 1 11 . 1 1 52 52 ARG H H 52 7.966 7.966 7.868 0.098 18834 5422 1 11 . 1 1 53 53 ILE N N 53 120.155 120.155 118.517 1.638 18834 5423 1 11 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.436 -0.200 18834 5424 1 11 . 1 1 53 53 ILE C C 53 173.773 173.773 173.898 -0.125 18834 5425 1 11 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.490 0.915 18834 5426 1 11 . 1 1 53 53 ILE CB C 53 39.641 39.641 42.116 -2.475 18834 5427 1 11 . 1 1 53 53 ILE H H 53 8.225 8.225 7.607 0.618 18834 5428 1 11 . 1 1 54 54 HIS N N 54 123.751 123.751 121.737 2.014 18834 5429 1 11 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.915 -0.125 18834 5430 1 11 . 1 1 54 54 HIS C C 54 173.696 173.696 173.998 -0.302 18834 5431 1 11 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.368 0.476 18834 5432 1 11 . 1 1 54 54 HIS CB C 54 33.566 33.566 33.816 -0.250 18834 5433 1 11 . 1 1 54 54 HIS H H 54 9.061 9.061 8.271 0.790 18834 5434 1 11 . 1 1 55 55 LYS N N 55 120.590 120.590 120.180 0.410 18834 5435 1 11 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.175 -0.549 18834 5436 1 11 . 1 1 55 55 LYS C C 55 176.916 176.916 176.976 -0.060 18834 5437 1 11 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.748 0.555 18834 5438 1 11 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.414 0.007 18834 5439 1 11 . 1 1 55 55 LYS H H 55 8.670 8.670 7.825 0.845 18834 5440 1 11 . 1 1 56 56 GLY N N 56 114.645 114.645 112.118 2.527 18834 5441 1 11 . 1 1 56 56 GLY C C 56 174.438 174.438 174.781 -0.343 18834 5442 1 11 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.874 -0.112 18834 5443 1 11 . 1 1 56 56 GLY H H 56 9.201 9.201 9.038 0.163 18834 5444 1 11 . 1 1 57 57 ASP N N 57 121.982 121.982 124.253 -2.271 18834 5445 1 11 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.697 0.190 18834 5446 1 11 . 1 1 57 57 ASP C C 57 174.623 174.623 174.691 -0.068 18834 5447 1 11 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.423 0.413 18834 5448 1 11 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.561 -0.478 18834 5449 1 11 . 1 1 57 57 ASP H H 57 8.058 8.058 7.561 0.497 18834 5450 1 11 . 1 1 58 58 ARG N N 58 123.240 123.240 116.398 6.842 18834 5451 1 11 . 1 1 58 58 ARG HA H 58 4.615 4.615 5.033 -0.418 18834 5452 1 11 . 1 1 58 58 ARG C C 58 175.573 175.573 174.928 0.645 18834 5453 1 11 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.108 0.413 18834 5454 1 11 . 1 1 58 58 ARG CB C 58 33.701 33.701 33.607 0.094 18834 5455 1 11 . 1 1 58 58 ARG H H 58 9.078 9.078 8.221 0.857 18834 5456 1 11 . 1 1 59 59 VAL N N 59 126.202 126.202 120.367 5.835 18834 5457 1 11 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.275 -0.412 18834 5458 1 11 . 1 1 59 59 VAL C C 59 174.458 174.458 175.504 -1.046 18834 5459 1 11 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.264 -0.061 18834 5460 1 11 . 1 1 59 59 VAL CB C 59 30.998 30.998 32.319 -1.321 18834 5461 1 11 . 1 1 59 59 VAL H H 59 8.897 8.897 8.704 0.193 18834 5462 1 11 . 1 1 60 60 LEU N N 60 127.163 127.163 127.247 -0.084 18834 5463 1 11 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.348 -0.052 18834 5464 1 11 . 1 1 60 60 LEU C C 60 178.289 178.289 176.330 1.959 18834 5465 1 11 . 1 1 60 60 LEU CA C 60 56.054 56.054 55.974 0.080 18834 5466 1 11 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.926 -0.314 18834 5467 1 11 . 1 1 60 60 LEU H H 60 9.213 9.213 8.682 0.531 18834 5468 1 11 . 1 1 61 61 ALA N N 61 118.886 118.886 117.507 1.379 18834 5469 1 11 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.173 -0.219 18834 5470 1 11 . 1 1 61 61 ALA C C 61 175.288 175.288 175.229 0.059 18834 5471 1 11 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.440 1.839 18834 5472 1 11 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.350 -0.254 18834 5473 1 11 . 1 1 61 61 ALA H H 61 7.741 7.741 7.295 0.446 18834 5474 1 11 . 1 1 62 62 VAL N N 62 119.929 119.929 120.476 -0.547 18834 5475 1 11 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.350 0.100 18834 5476 1 11 . 1 1 62 62 VAL C C 62 175.323 175.323 176.105 -0.782 18834 5477 1 11 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.580 -0.162 18834 5478 1 11 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.803 0.247 18834 5479 1 11 . 1 1 62 62 VAL H H 62 8.256 8.256 8.474 -0.218 18834 5480 1 11 . 1 1 63 63 ASN N N 63 128.933 128.933 126.012 2.921 18834 5481 1 11 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.578 -0.033 18834 5482 1 11 . 1 1 63 63 ASN C C 63 175.197 175.197 175.347 -0.150 18834 5483 1 11 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.321 -0.153 18834 5484 1 11 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.519 -0.623 18834 5485 1 11 . 1 1 63 63 ASN H H 63 10.392 10.392 9.308 1.084 18834 5486 1 11 . 1 1 64 64 GLY N N 64 103.413 103.413 103.036 0.377 18834 5487 1 11 . 1 1 64 64 GLY C C 64 173.872 173.872 174.622 -0.750 18834 5488 1 11 . 1 1 64 64 GLY CA C 64 45.171 45.171 45.016 0.155 18834 5489 1 11 . 1 1 64 64 GLY H H 64 9.085 9.085 8.465 0.620 18834 5490 1 11 . 1 1 65 65 VAL N N 65 123.643 123.643 124.551 -0.908 18834 5491 1 11 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.041 -0.093 18834 5492 1 11 . 1 1 65 65 VAL C C 65 175.645 175.645 175.728 -0.083 18834 5493 1 11 . 1 1 65 65 VAL CA C 65 62.136 62.136 62.196 -0.060 18834 5494 1 11 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.750 -0.110 18834 5495 1 11 . 1 1 65 65 VAL H H 65 8.028 8.028 7.956 0.072 18834 5496 1 11 . 1 1 66 66 SER N N 66 120.923 120.923 124.788 -3.865 18834 5497 1 11 . 1 1 66 66 SER HA H 66 4.334 4.334 4.200 0.134 18834 5498 1 11 . 1 1 66 66 SER C C 66 176.388 176.388 173.945 2.443 18834 5499 1 11 . 1 1 66 66 SER CA C 66 58.342 58.342 59.799 -1.457 18834 5500 1 11 . 1 1 66 66 SER CB C 66 63.562 63.562 63.307 0.255 18834 5501 1 11 . 1 1 66 66 SER H H 66 8.647 8.647 8.672 -0.025 18834 5502 1 11 . 1 1 67 67 LEU N N 67 125.116 125.116 126.560 -1.444 18834 5503 1 11 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.625 -0.187 18834 5504 1 11 . 1 1 67 67 LEU C C 67 176.462 176.462 176.185 0.277 18834 5505 1 11 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.219 -0.487 18834 5506 1 11 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.790 -1.900 18834 5507 1 11 . 1 1 67 67 LEU H H 67 8.292 8.292 8.972 -0.680 18834 5508 1 11 . 1 1 68 68 GLU N N 68 123.552 123.552 118.894 4.658 18834 5509 1 11 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.180 -0.145 18834 5510 1 11 . 1 1 68 68 GLU C C 68 177.767 177.767 177.157 0.610 18834 5511 1 11 . 1 1 68 68 GLU CA C 68 58.571 58.571 57.191 1.380 18834 5512 1 11 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.201 -0.149 18834 5513 1 11 . 1 1 68 68 GLU H H 68 8.305 8.305 7.709 0.596 18834 5514 1 11 . 1 1 69 69 GLY N N 69 115.496 115.496 113.660 1.836 18834 5515 1 11 . 1 1 69 69 GLY C C 69 173.618 173.618 174.327 -0.709 18834 5516 1 11 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.860 0.536 18834 5517 1 11 . 1 1 69 69 GLY H H 69 8.977 8.977 9.164 -0.187 18834 5518 1 11 . 1 1 70 70 ALA N N 70 121.999 121.999 123.961 -1.962 18834 5519 1 11 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.550 -0.048 18834 5520 1 11 . 1 1 70 70 ALA C C 70 179.820 179.820 176.174 3.646 18834 5521 1 11 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.614 0.801 18834 5522 1 11 . 1 1 70 70 ALA CB C 70 19.638 19.638 19.879 -0.241 18834 5523 1 11 . 1 1 70 70 ALA H H 70 7.807 7.807 8.170 -0.363 18834 5524 1 11 . 1 1 71 71 THR N N 71 111.294 111.294 113.772 -2.478 18834 5525 1 11 . 1 1 71 71 THR HA H 71 4.515 4.515 4.323 0.192 18834 5526 1 11 . 1 1 71 71 THR C C 71 174.717 174.717 175.920 -1.203 18834 5527 1 11 . 1 1 71 71 THR CA C 71 60.692 60.692 60.303 0.389 18834 5528 1 11 . 1 1 71 71 THR CB C 71 71.274 71.274 70.683 0.591 18834 5529 1 11 . 1 1 71 71 THR H H 71 8.222 8.222 7.915 0.307 18834 5530 1 11 . 1 1 72 72 HIS N N 72 121.871 121.871 119.360 2.511 18834 5531 1 11 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.238 -0.378 18834 5532 1 11 . 1 1 72 72 HIS C C 72 176.702 176.702 177.163 -0.461 18834 5533 1 11 . 1 1 72 72 HIS CA C 72 61.983 61.983 59.808 2.175 18834 5534 1 11 . 1 1 72 72 HIS CB C 72 30.047 30.047 28.640 1.407 18834 5535 1 11 . 1 1 72 72 HIS H H 72 9.217 9.217 9.027 0.190 18834 5536 1 11 . 1 1 73 73 LYS N N 73 116.941 116.941 119.788 -2.847 18834 5537 1 11 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.793 0.031 18834 5538 1 11 . 1 1 73 73 LYS C C 73 178.288 178.288 179.236 -0.948 18834 5539 1 11 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.692 -0.342 18834 5540 1 11 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.901 0.910 18834 5541 1 11 . 1 1 73 73 LYS H H 73 8.429 8.429 7.477 0.952 18834 5542 1 11 . 1 1 74 74 GLN N N 74 116.915 116.915 117.741 -0.826 18834 5543 1 11 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.970 -0.101 18834 5544 1 11 . 1 1 74 74 GLN C C 74 179.732 179.732 178.568 1.164 18834 5545 1 11 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.566 0.033 18834 5546 1 11 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.110 0.241 18834 5547 1 11 . 1 1 74 74 GLN H H 74 7.660 7.660 7.688 -0.028 18834 5548 1 11 . 1 1 75 75 ALA N N 75 122.673 122.673 123.212 -0.539 18834 5549 1 11 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.899 -0.111 18834 5550 1 11 . 1 1 75 75 ALA C C 75 179.078 179.078 179.623 -0.545 18834 5551 1 11 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.332 0.234 18834 5552 1 11 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.293 0.558 18834 5553 1 11 . 1 1 75 75 ALA H H 75 8.379 8.379 8.459 -0.080 18834 5554 1 11 . 1 1 76 76 VAL N N 76 112.831 112.831 118.011 -5.180 18834 5555 1 11 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.743 -0.238 18834 5556 1 11 . 1 1 76 76 VAL CA C 76 65.895 65.895 66.809 -0.914 18834 5557 1 11 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.520 -0.829 18834 5558 1 11 . 1 1 76 76 VAL H H 76 8.239 8.239 8.029 0.210 18834 5559 1 11 . 1 1 77 77 CYS C C 77 177.150 177.150 177.156 -0.006 18834 5560 1 11 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.252 -2.861 18834 5561 1 11 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.426 10.356 18834 5562 1 11 . 1 1 78 78 THR N N 78 117.507 117.507 116.973 0.534 18834 5563 1 11 . 1 1 78 78 THR HA H 78 3.858 3.858 4.028 -0.170 18834 5564 1 11 . 1 1 78 78 THR C C 78 176.460 176.460 175.888 0.572 18834 5565 1 11 . 1 1 78 78 THR CA C 78 67.123 67.123 66.562 0.561 18834 5566 1 11 . 1 1 78 78 THR CB C 78 68.123 68.123 68.772 -0.649 18834 5567 1 11 . 1 1 78 78 THR H H 78 8.015 8.015 8.137 -0.122 18834 5568 1 11 . 1 1 79 79 LEU N N 79 119.666 119.666 120.877 -1.211 18834 5569 1 11 . 1 1 79 79 LEU HA H 79 3.750 3.750 3.951 -0.201 18834 5570 1 11 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.994 0.196 18834 5571 1 11 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.715 0.356 18834 5572 1 11 . 1 1 79 79 LEU H H 79 7.984 7.984 7.758 0.226 18834 5573 1 11 . 1 1 80 80 ARG HA H 80 4.197 4.197 3.985 0.212 18834 5574 1 11 . 1 1 80 80 ARG C C 80 177.750 177.750 178.405 -0.655 18834 5575 1 11 . 1 1 80 80 ARG CA C 80 58.307 58.307 59.631 -1.324 18834 5576 1 11 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.255 -0.163 18834 5577 1 11 . 1 1 81 81 ASN N N 81 119.843 119.843 118.644 1.199 18834 5578 1 11 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.664 0.320 18834 5579 1 11 . 1 1 81 81 ASN C C 81 174.819 174.819 174.418 0.401 18834 5580 1 11 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.278 -0.165 18834 5581 1 11 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.524 0.144 18834 5582 1 11 . 1 1 81 81 ASN H H 81 7.648 7.648 7.916 -0.268 18834 5583 1 11 . 1 1 82 82 THR N N 82 109.907 109.907 112.873 -2.966 18834 5584 1 11 . 1 1 82 82 THR HA H 82 4.447 4.447 4.708 -0.261 18834 5585 1 11 . 1 1 82 82 THR C C 82 175.114 175.114 174.318 0.796 18834 5586 1 11 . 1 1 82 82 THR CA C 82 59.944 59.944 60.330 -0.386 18834 5587 1 11 . 1 1 82 82 THR CB C 82 72.611 72.611 71.647 0.964 18834 5588 1 11 . 1 1 82 82 THR H H 82 7.668 7.668 7.821 -0.153 18834 5589 1 11 . 1 1 83 83 GLY N N 83 109.505 109.505 106.621 2.884 18834 5590 1 11 . 1 1 83 83 GLY C C 83 173.467 173.467 174.958 -1.491 18834 5591 1 11 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.026 0.066 18834 5592 1 11 . 1 1 83 83 GLY H H 83 8.421 8.421 8.322 0.099 18834 5593 1 11 . 1 1 84 84 GLN N N 84 117.276 117.276 118.932 -1.656 18834 5594 1 11 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.048 -0.085 18834 5595 1 11 . 1 1 84 84 GLN C C 84 175.254 175.254 176.284 -1.030 18834 5596 1 11 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.730 -0.287 18834 5597 1 11 . 1 1 84 84 GLN CB C 84 28.973 28.973 28.865 0.108 18834 5598 1 11 . 1 1 84 84 GLN H H 84 8.224 8.224 8.587 -0.363 18834 5599 1 11 . 1 1 85 85 VAL N N 85 116.186 116.186 115.457 0.729 18834 5600 1 11 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.053 0.601 18834 5601 1 11 . 1 1 85 85 VAL C C 85 175.879 175.879 174.830 1.049 18834 5602 1 11 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.493 -0.195 18834 5603 1 11 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.385 -0.255 18834 5604 1 11 . 1 1 85 85 VAL H H 85 7.699 7.699 7.651 0.048 18834 5605 1 11 . 1 1 86 86 VAL N N 86 128.499 128.499 123.906 4.593 18834 5606 1 11 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.304 0.143 18834 5607 1 11 . 1 1 86 86 VAL C C 86 173.365 173.365 174.582 -1.217 18834 5608 1 11 . 1 1 86 86 VAL CA C 86 60.965 60.965 61.393 -0.428 18834 5609 1 11 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.047 1.940 18834 5610 1 11 . 1 1 86 86 VAL H H 86 9.043 9.043 9.064 -0.021 18834 5611 1 11 . 1 1 87 87 HIS N N 87 126.357 126.357 127.434 -1.077 18834 5612 1 11 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.180 -0.184 18834 5613 1 11 . 1 1 87 87 HIS C C 87 174.387 174.387 174.030 0.357 18834 5614 1 11 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.245 1.557 18834 5615 1 11 . 1 1 87 87 HIS CB C 87 31.179 31.179 30.506 0.673 18834 5616 1 11 . 1 1 87 87 HIS H H 87 8.855 8.855 8.879 -0.024 18834 5617 1 11 . 1 1 88 88 LEU N N 88 126.780 126.780 123.240 3.540 18834 5618 1 11 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.814 0.146 18834 5619 1 11 . 1 1 88 88 LEU C C 88 173.365 173.365 173.870 -0.505 18834 5620 1 11 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.442 0.052 18834 5621 1 11 . 1 1 88 88 LEU CB C 88 45.187 45.187 45.450 -0.263 18834 5622 1 11 . 1 1 88 88 LEU H H 88 9.016 9.016 7.702 1.314 18834 5623 1 11 . 1 1 89 89 LEU N N 89 124.435 124.435 122.131 2.304 18834 5624 1 11 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.823 -0.102 18834 5625 1 11 . 1 1 89 89 LEU C C 89 175.213 175.213 176.347 -1.134 18834 5626 1 11 . 1 1 89 89 LEU CA C 89 53.661 53.661 53.794 -0.133 18834 5627 1 11 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.073 3.318 18834 5628 1 11 . 1 1 89 89 LEU H H 89 7.965 7.965 7.892 0.073 18834 5629 1 11 . 1 1 90 90 LEU N N 90 127.444 127.444 121.154 6.290 18834 5630 1 11 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.101 0.182 18834 5631 1 11 . 1 1 90 90 LEU C C 90 173.560 173.560 175.602 -2.042 18834 5632 1 11 . 1 1 90 90 LEU CA C 90 54.088 54.088 51.823 2.265 18834 5633 1 11 . 1 1 90 90 LEU CB C 90 45.956 45.956 43.590 2.366 18834 5634 1 11 . 1 1 90 90 LEU H H 90 8.909 8.909 8.749 0.160 18834 5635 1 11 . 1 1 91 91 GLU N N 91 118.954 118.954 119.671 -0.717 18834 5636 1 11 . 1 1 91 91 GLU HA H 91 5.062 5.062 5.102 -0.040 18834 5637 1 11 . 1 1 91 91 GLU C C 91 176.652 176.652 175.733 0.919 18834 5638 1 11 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.129 -0.342 18834 5639 1 11 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.693 0.153 18834 5640 1 11 . 1 1 91 91 GLU H H 91 8.813 8.813 8.414 0.399 18834 5641 1 11 . 1 1 92 92 LYS N N 92 129.055 129.055 125.755 3.300 18834 5642 1 11 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.505 -0.117 18834 5643 1 11 . 1 1 92 92 LYS C C 92 178.000 178.000 177.396 0.604 18834 5644 1 11 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.280 -0.018 18834 5645 1 11 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.813 -0.742 18834 5646 1 11 . 1 1 92 92 LYS H H 92 9.362 9.362 8.154 1.208 18834 5647 1 11 . 1 1 93 93 GLY N N 93 117.893 117.893 109.381 8.512 18834 5648 1 11 . 1 1 93 93 GLY C C 93 173.147 173.147 175.011 -1.864 18834 5649 1 11 . 1 1 93 93 GLY CA C 93 45.173 45.173 44.787 0.386 18834 5650 1 11 . 1 1 93 93 GLY H H 93 9.698 9.698 9.586 0.112 18834 5651 1 11 . 1 1 94 94 GLN N N 94 116.797 116.797 120.563 -3.766 18834 5652 1 11 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.074 0.188 18834 5653 1 11 . 1 1 94 94 GLN C C 94 175.942 175.942 176.005 -0.063 18834 5654 1 11 . 1 1 94 94 GLN CA C 94 55.514 55.514 57.698 -2.184 18834 5655 1 11 . 1 1 94 94 GLN CB C 94 29.688 29.688 28.924 0.764 18834 5656 1 11 . 1 1 94 94 GLN H H 94 8.252 8.252 8.370 -0.118 18834 5657 1 11 . 1 1 95 95 SER N N 95 118.117 118.117 115.346 2.771 18834 5658 1 11 . 1 1 95 95 SER HA H 95 4.658 4.658 4.623 0.035 18834 5659 1 11 . 1 1 95 95 SER CA C 95 56.588 56.588 55.913 0.675 18834 5660 1 11 . 1 1 95 95 SER CB C 95 63.194 63.194 63.394 -0.200 18834 5661 1 11 . 1 1 95 95 SER H H 95 8.377 8.377 8.082 0.295 18834 5662 1 11 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.468 0.009 18834 5663 1 11 . 1 1 96 96 PRO C C 96 176.291 176.291 177.554 -1.263 18834 5664 1 11 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.843 0.668 18834 5665 1 11 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.364 -0.411 18834 5666 1 12 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.525 -0.051 18834 5667 1 12 . 1 1 2 2 PRO C C 2 175.857 175.857 175.714 0.143 18834 5668 1 12 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.543 0.300 18834 5669 1 12 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.610 -0.342 18834 5670 1 12 . 1 1 3 3 LYS N N 3 124.698 124.698 118.930 5.768 18834 5671 1 12 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.659 -0.069 18834 5672 1 12 . 1 1 3 3 LYS CA C 3 53.618 53.618 53.820 -0.202 18834 5673 1 12 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.200 -0.644 18834 5674 1 12 . 1 1 3 3 LYS H H 3 8.952 8.952 8.057 0.895 18834 5675 1 12 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.207 -0.263 18834 5676 1 12 . 1 1 4 4 PRO C C 4 177.504 177.504 177.245 0.259 18834 5677 1 12 . 1 1 4 4 PRO CA C 4 64.544 64.544 63.870 0.674 18834 5678 1 12 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.200 0.570 18834 5679 1 12 . 1 1 5 5 GLY N N 5 113.728 113.728 113.469 0.259 18834 5680 1 12 . 1 1 5 5 GLY C C 5 174.146 174.146 173.988 0.158 18834 5681 1 12 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.726 0.307 18834 5682 1 12 . 1 1 5 5 GLY H H 5 9.011 9.011 8.301 0.710 18834 5683 1 12 . 1 1 6 6 ASP N N 6 121.776 121.776 122.184 -0.408 18834 5684 1 12 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.696 -0.026 18834 5685 1 12 . 1 1 6 6 ASP C C 6 175.673 175.673 175.642 0.031 18834 5686 1 12 . 1 1 6 6 ASP CA C 6 54.918 54.918 54.085 0.833 18834 5687 1 12 . 1 1 6 6 ASP CB C 6 41.446 41.446 41.625 -0.179 18834 5688 1 12 . 1 1 6 6 ASP H H 6 8.468 8.468 7.729 0.739 18834 5689 1 12 . 1 1 7 7 ILE N N 7 121.570 121.570 123.989 -2.419 18834 5690 1 12 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.824 0.507 18834 5691 1 12 . 1 1 7 7 ILE C C 7 176.824 176.824 176.075 0.749 18834 5692 1 12 . 1 1 7 7 ILE CA C 7 59.601 59.601 59.493 0.108 18834 5693 1 12 . 1 1 7 7 ILE CB C 7 38.254 38.254 37.860 0.394 18834 5694 1 12 . 1 1 7 7 ILE H H 7 8.362 8.362 8.361 0.001 18834 5695 1 12 . 1 1 8 8 PHE N N 8 125.816 125.816 124.781 1.035 18834 5696 1 12 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.047 0.025 18834 5697 1 12 . 1 1 8 8 PHE C C 8 171.149 171.149 173.276 -2.127 18834 5698 1 12 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.382 0.147 18834 5699 1 12 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.079 0.233 18834 5700 1 12 . 1 1 8 8 PHE H H 8 9.476 9.476 9.145 0.331 18834 5701 1 12 . 1 1 9 9 GLU N N 9 118.961 118.961 119.739 -0.778 18834 5702 1 12 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.645 0.568 18834 5703 1 12 . 1 1 9 9 GLU C C 9 175.995 175.995 176.039 -0.044 18834 5704 1 12 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.059 -1.070 18834 5705 1 12 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.818 1.610 18834 5706 1 12 . 1 1 9 9 GLU H H 9 8.490 8.490 8.475 0.015 18834 5707 1 12 . 1 1 10 10 VAL N N 10 119.964 119.964 117.896 2.068 18834 5708 1 12 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.445 -0.308 18834 5709 1 12 . 1 1 10 10 VAL C C 10 173.221 173.221 173.052 0.169 18834 5710 1 12 . 1 1 10 10 VAL CA C 10 61.091 61.091 60.159 0.932 18834 5711 1 12 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.859 0.907 18834 5712 1 12 . 1 1 10 10 VAL H H 10 8.577 8.577 7.832 0.745 18834 5713 1 12 . 1 1 11 11 GLU N N 11 126.219 126.219 121.026 5.193 18834 5714 1 12 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.360 -0.405 18834 5715 1 12 . 1 1 11 11 GLU C C 11 174.538 174.538 175.364 -0.826 18834 5716 1 12 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.275 0.587 18834 5717 1 12 . 1 1 11 11 GLU CB C 11 30.836 30.836 31.832 -0.996 18834 5718 1 12 . 1 1 11 11 GLU H H 11 7.794 7.794 8.196 -0.402 18834 5719 1 12 . 1 1 12 12 LEU N N 12 126.212 126.212 124.057 2.155 18834 5720 1 12 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.644 0.002 18834 5721 1 12 . 1 1 12 12 LEU C C 12 173.916 173.916 175.129 -1.213 18834 5722 1 12 . 1 1 12 12 LEU CA C 12 53.137 53.137 54.218 -1.081 18834 5723 1 12 . 1 1 12 12 LEU CB C 12 46.126 46.126 47.164 -1.038 18834 5724 1 12 . 1 1 12 12 LEU H H 12 8.848 8.848 8.930 -0.082 18834 5725 1 12 . 1 1 13 13 ALA N N 13 126.357 126.357 124.441 1.916 18834 5726 1 12 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.467 0.628 18834 5727 1 12 . 1 1 13 13 ALA C C 13 177.352 177.352 177.276 0.076 18834 5728 1 12 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.080 -1.160 18834 5729 1 12 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.559 -0.182 18834 5730 1 12 . 1 1 13 13 ALA H H 13 8.494 8.494 8.698 -0.204 18834 5731 1 12 . 1 1 14 14 LYS N N 14 120.000 120.000 122.292 -2.292 18834 5732 1 12 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.131 -0.379 18834 5733 1 12 . 1 1 14 14 LYS C C 14 176.313 176.313 176.402 -0.089 18834 5734 1 12 . 1 1 14 14 LYS CA C 14 57.762 57.762 56.986 0.777 18834 5735 1 12 . 1 1 14 14 LYS CB C 14 34.469 34.469 32.996 1.473 18834 5736 1 12 . 1 1 14 14 LYS H H 14 8.496 8.496 8.197 0.299 18834 5737 1 12 . 1 1 15 15 ASN N N 15 117.473 117.473 117.268 0.205 18834 5738 1 12 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.400 0.517 18834 5739 1 12 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.222 -0.735 18834 5740 1 12 . 1 1 15 15 ASN CB C 15 40.684 40.684 39.106 1.578 18834 5741 1 12 . 1 1 15 15 ASN H H 15 8.079 8.079 8.144 -0.065 18834 5742 1 12 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.245 0.014 18834 5743 1 12 . 1 1 16 16 ASP C C 16 175.515 175.515 176.130 -0.615 18834 5744 1 12 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.302 0.218 18834 5745 1 12 . 1 1 16 16 ASP CB C 16 39.303 39.303 40.140 -0.837 18834 5746 1 12 . 1 1 17 17 ASN N N 17 110.160 110.160 111.998 -1.838 18834 5747 1 12 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.253 -0.021 18834 5748 1 12 . 1 1 17 17 ASN C C 17 174.550 174.550 174.264 0.286 18834 5749 1 12 . 1 1 17 17 ASN CA C 17 54.349 54.349 54.851 -0.502 18834 5750 1 12 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.441 0.014 18834 5751 1 12 . 1 1 17 17 ASN H H 17 8.959 8.959 8.675 0.284 18834 5752 1 12 . 1 1 18 18 SER N N 18 112.013 112.013 115.311 -3.298 18834 5753 1 12 . 1 1 18 18 SER HA H 18 4.976 4.976 4.584 0.392 18834 5754 1 12 . 1 1 18 18 SER CA C 18 56.519 56.519 58.719 -2.200 18834 5755 1 12 . 1 1 18 18 SER CB C 18 65.053 65.053 64.350 0.703 18834 5756 1 12 . 1 1 18 18 SER H H 18 7.892 7.892 7.569 0.323 18834 5757 1 12 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.703 -0.447 18834 5758 1 12 . 1 1 19 19 LEU C C 19 176.996 176.996 175.895 1.101 18834 5759 1 12 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.801 1.144 18834 5760 1 12 . 1 1 19 19 LEU CB C 19 43.178 43.178 44.993 -1.815 18834 5761 1 12 . 1 1 20 20 GLY N N 20 105.651 105.651 114.841 -9.190 18834 5762 1 12 . 1 1 20 20 GLY C C 20 176.218 176.218 173.556 2.662 18834 5763 1 12 . 1 1 20 20 GLY CA C 20 46.868 46.868 45.268 1.600 18834 5764 1 12 . 1 1 20 20 GLY H H 20 8.804 8.804 8.199 0.605 18834 5765 1 12 . 1 1 21 21 ILE N N 21 115.348 115.348 120.277 -4.929 18834 5766 1 12 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.745 0.097 18834 5767 1 12 . 1 1 21 21 ILE C C 21 175.987 175.987 175.794 0.193 18834 5768 1 12 . 1 1 21 21 ILE CA C 21 59.795 59.795 59.557 0.238 18834 5769 1 12 . 1 1 21 21 ILE CB C 21 42.334 42.334 39.941 2.393 18834 5770 1 12 . 1 1 21 21 ILE H H 21 7.775 7.775 7.800 -0.025 18834 5771 1 12 . 1 1 22 22 CYS N N 22 123.503 123.503 120.116 3.387 18834 5772 1 12 . 1 1 22 22 CYS C C 22 176.187 176.187 173.907 2.280 18834 5773 1 12 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.254 -4.475 18834 5774 1 12 . 1 1 22 22 CYS CB C 22 36.527 36.527 30.166 6.361 18834 5775 1 12 . 1 1 22 22 CYS H H 22 8.533 8.533 8.558 -0.025 18834 5776 1 12 . 1 1 23 23 VAL N N 23 114.882 114.882 114.496 0.386 18834 5777 1 12 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.173 0.275 18834 5778 1 12 . 1 1 23 23 VAL C C 23 174.219 174.219 174.205 0.014 18834 5779 1 12 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.491 -1.069 18834 5780 1 12 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.197 -0.103 18834 5781 1 12 . 1 1 23 23 VAL H H 23 7.720 7.720 8.329 -0.609 18834 5782 1 12 . 1 1 24 24 THR N N 24 115.462 115.462 114.009 1.453 18834 5783 1 12 . 1 1 24 24 THR HA H 24 4.691 4.691 4.597 0.094 18834 5784 1 12 . 1 1 24 24 THR C C 24 171.649 171.649 173.383 -1.734 18834 5785 1 12 . 1 1 24 24 THR CA C 24 59.560 59.560 60.545 -0.986 18834 5786 1 12 . 1 1 24 24 THR CB C 24 70.573 70.573 69.612 0.961 18834 5787 1 12 . 1 1 24 24 THR H H 24 9.175 9.175 8.478 0.697 18834 5788 1 12 . 1 1 25 25 GLY N N 25 111.734 111.734 110.329 1.405 18834 5789 1 12 . 1 1 25 25 GLY C C 25 174.216 174.216 174.337 -0.121 18834 5790 1 12 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.936 -0.272 18834 5791 1 12 . 1 1 25 25 GLY H H 25 8.323 8.323 8.600 -0.277 18834 5792 1 12 . 1 1 26 26 GLY N N 26 107.524 107.524 109.682 -2.158 18834 5793 1 12 . 1 1 26 26 GLY C C 26 176.306 176.306 175.122 1.184 18834 5794 1 12 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.764 -1.994 18834 5795 1 12 . 1 1 26 26 GLY H H 26 7.541 7.541 8.015 -0.474 18834 5796 1 12 . 1 1 27 27 VAL N N 27 116.903 116.903 122.743 -5.840 18834 5797 1 12 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.064 0.064 18834 5798 1 12 . 1 1 27 27 VAL C C 27 175.716 175.716 176.084 -0.368 18834 5799 1 12 . 1 1 27 27 VAL CA C 27 63.894 63.894 63.256 0.638 18834 5800 1 12 . 1 1 27 27 VAL CB C 27 31.963 31.963 31.162 0.801 18834 5801 1 12 . 1 1 27 27 VAL H H 27 8.055 8.055 8.023 0.032 18834 5802 1 12 . 1 1 28 28 ASN N N 28 117.840 117.840 111.052 6.788 18834 5803 1 12 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.468 0.335 18834 5804 1 12 . 1 1 28 28 ASN C C 28 174.846 174.846 174.930 -0.084 18834 5805 1 12 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.155 -0.675 18834 5806 1 12 . 1 1 28 28 ASN CB C 28 37.754 37.754 36.798 0.956 18834 5807 1 12 . 1 1 28 28 ASN H H 28 8.779 8.779 8.446 0.333 18834 5808 1 12 . 1 1 29 29 THR N N 29 111.408 111.408 110.528 0.880 18834 5809 1 12 . 1 1 29 29 THR HA H 29 4.690 4.690 4.197 0.493 18834 5810 1 12 . 1 1 29 29 THR CA C 29 61.624 61.624 62.192 -0.568 18834 5811 1 12 . 1 1 29 29 THR CB C 29 70.939 70.939 69.028 1.911 18834 5812 1 12 . 1 1 29 29 THR H H 29 7.857 7.857 7.568 0.289 18834 5813 1 12 . 1 1 30 30 SER N N 30 113.816 113.816 114.078 -0.262 18834 5814 1 12 . 1 1 30 30 SER HA H 30 4.537 4.537 4.112 0.425 18834 5815 1 12 . 1 1 30 30 SER C C 30 174.867 174.867 174.897 -0.030 18834 5816 1 12 . 1 1 30 30 SER CA C 30 58.369 58.369 60.015 -1.646 18834 5817 1 12 . 1 1 30 30 SER CB C 30 63.547 63.547 62.647 0.900 18834 5818 1 12 . 1 1 30 30 SER H H 30 8.438 8.438 8.441 -0.003 18834 5819 1 12 . 1 1 31 31 VAL N N 31 118.013 118.013 118.195 -0.182 18834 5820 1 12 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.519 0.579 18834 5821 1 12 . 1 1 31 31 VAL C C 31 176.528 176.528 175.679 0.849 18834 5822 1 12 . 1 1 31 31 VAL CA C 31 62.070 62.070 62.451 -0.381 18834 5823 1 12 . 1 1 31 31 VAL CB C 31 32.507 32.507 31.694 0.813 18834 5824 1 12 . 1 1 31 31 VAL H H 31 7.567 7.567 7.398 0.169 18834 5825 1 12 . 1 1 32 32 ARG N N 32 124.719 124.719 127.192 -2.473 18834 5826 1 12 . 1 1 32 32 ARG HA H 32 4.007 4.007 3.907 0.100 18834 5827 1 12 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.841 -0.832 18834 5828 1 12 . 1 1 32 32 ARG CB C 32 29.571 29.571 29.919 -0.348 18834 5829 1 12 . 1 1 32 32 ARG H H 32 8.501 8.501 8.393 0.108 18834 5830 1 12 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.524 0.053 18834 5831 1 12 . 1 1 33 33 HIS C C 33 175.064 175.064 175.789 -0.725 18834 5832 1 12 . 1 1 33 33 HIS CA C 33 56.814 56.814 57.163 -0.349 18834 5833 1 12 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.667 -1.576 18834 5834 1 12 . 1 1 34 34 GLY N N 34 109.357 109.357 108.182 1.175 18834 5835 1 12 . 1 1 34 34 GLY C C 34 174.616 174.616 173.645 0.971 18834 5836 1 12 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.064 1.530 18834 5837 1 12 . 1 1 34 34 GLY H H 34 8.469 8.469 7.911 0.558 18834 5838 1 12 . 1 1 35 35 GLY N N 35 104.989 104.989 105.258 -0.269 18834 5839 1 12 . 1 1 35 35 GLY C C 35 170.518 170.518 173.103 -2.585 18834 5840 1 12 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.841 0.800 18834 5841 1 12 . 1 1 35 35 GLY H H 35 7.787 7.787 7.736 0.051 18834 5842 1 12 . 1 1 36 36 ILE N N 36 119.808 119.808 121.270 -1.462 18834 5843 1 12 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.951 -0.205 18834 5844 1 12 . 1 1 36 36 ILE C C 36 174.616 174.616 175.190 -0.574 18834 5845 1 12 . 1 1 36 36 ILE CA C 36 56.955 56.955 59.809 -2.854 18834 5846 1 12 . 1 1 36 36 ILE CB C 36 35.618 35.618 37.725 -2.107 18834 5847 1 12 . 1 1 36 36 ILE H H 36 8.362 8.362 7.952 0.410 18834 5848 1 12 . 1 1 37 37 TYR N N 37 123.168 123.168 127.307 -4.139 18834 5849 1 12 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.877 0.391 18834 5850 1 12 . 1 1 37 37 TYR C C 37 176.069 176.069 175.571 0.498 18834 5851 1 12 . 1 1 37 37 TYR CA C 37 55.959 55.959 56.422 -0.463 18834 5852 1 12 . 1 1 37 37 TYR CB C 37 42.436 42.436 41.390 1.046 18834 5853 1 12 . 1 1 37 37 TYR H H 37 8.904 8.904 9.240 -0.336 18834 5854 1 12 . 1 1 38 38 VAL N N 38 120.273 120.273 121.140 -0.867 18834 5855 1 12 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.312 -0.513 18834 5856 1 12 . 1 1 38 38 VAL C C 38 175.886 175.886 176.458 -0.572 18834 5857 1 12 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.394 1.690 18834 5858 1 12 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.876 0.568 18834 5859 1 12 . 1 1 38 38 VAL H H 38 9.230 9.230 9.042 0.188 18834 5860 1 12 . 1 1 39 39 LYS N N 39 133.619 133.619 128.716 4.903 18834 5861 1 12 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.171 0.218 18834 5862 1 12 . 1 1 39 39 LYS C C 39 174.763 174.763 175.586 -0.823 18834 5863 1 12 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.694 -1.158 18834 5864 1 12 . 1 1 39 39 LYS CB C 39 34.539 34.539 32.885 1.654 18834 5865 1 12 . 1 1 39 39 LYS H H 39 9.584 9.584 8.153 1.431 18834 5866 1 12 . 1 1 40 40 ALA N N 40 117.459 117.459 118.883 -1.424 18834 5867 1 12 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.564 -0.060 18834 5868 1 12 . 1 1 40 40 ALA C C 40 174.686 174.686 174.881 -0.195 18834 5869 1 12 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.895 0.001 18834 5870 1 12 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.333 0.912 18834 5871 1 12 . 1 1 40 40 ALA H H 40 7.584 7.584 7.207 0.377 18834 5872 1 12 . 1 1 41 41 VAL N N 41 120.599 120.599 121.650 -1.051 18834 5873 1 12 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.320 0.059 18834 5874 1 12 . 1 1 41 41 VAL C C 41 175.714 175.714 175.837 -0.123 18834 5875 1 12 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.258 -0.110 18834 5876 1 12 . 1 1 41 41 VAL CB C 41 32.506 32.506 33.496 -0.990 18834 5877 1 12 . 1 1 41 41 VAL H H 41 8.747 8.747 8.445 0.302 18834 5878 1 12 . 1 1 42 42 ILE N N 42 127.775 127.775 124.613 3.162 18834 5879 1 12 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.466 -0.339 18834 5880 1 12 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.428 1.399 18834 5881 1 12 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.704 0.512 18834 5882 1 12 . 1 1 42 42 ILE H H 42 7.827 7.827 8.263 -0.436 18834 5883 1 12 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.443 0.032 18834 5884 1 12 . 1 1 43 43 PRO C C 43 177.234 177.234 176.813 0.421 18834 5885 1 12 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.513 1.664 18834 5886 1 12 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.762 -0.961 18834 5887 1 12 . 1 1 44 44 GLN N N 44 116.932 116.932 113.294 3.638 18834 5888 1 12 . 1 1 44 44 GLN HA H 44 3.848 3.848 4.014 -0.166 18834 5889 1 12 . 1 1 44 44 GLN C C 44 175.628 175.628 175.544 0.084 18834 5890 1 12 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.313 0.828 18834 5891 1 12 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.741 -1.300 18834 5892 1 12 . 1 1 44 44 GLN H H 44 9.388 9.388 8.746 0.642 18834 5893 1 12 . 1 1 45 45 GLY N N 45 106.131 106.131 104.549 1.582 18834 5894 1 12 . 1 1 45 45 GLY C C 45 174.404 174.404 174.001 0.403 18834 5895 1 12 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.501 1.157 18834 5896 1 12 . 1 1 45 45 GLY H H 45 7.875 7.875 7.348 0.527 18834 5897 1 12 . 1 1 46 46 ALA N N 46 121.011 121.011 123.068 -2.057 18834 5898 1 12 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.018 0.033 18834 5899 1 12 . 1 1 46 46 ALA C C 46 180.673 180.673 179.038 1.635 18834 5900 1 12 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.601 -0.556 18834 5901 1 12 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.518 -0.010 18834 5902 1 12 . 1 1 46 46 ALA H H 46 9.017 9.017 8.946 0.071 18834 5903 1 12 . 1 1 47 47 ALA N N 47 118.848 118.848 121.451 -2.603 18834 5904 1 12 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.901 0.167 18834 5905 1 12 . 1 1 47 47 ALA C C 47 180.699 180.699 179.729 0.970 18834 5906 1 12 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.178 -0.261 18834 5907 1 12 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.939 0.690 18834 5908 1 12 . 1 1 47 47 ALA H H 47 7.754 7.754 8.203 -0.449 18834 5909 1 12 . 1 1 48 48 GLU N N 48 124.400 124.400 119.556 4.844 18834 5910 1 12 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.065 -0.242 18834 5911 1 12 . 1 1 48 48 GLU C C 48 178.174 178.174 178.610 -0.436 18834 5912 1 12 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.651 1.258 18834 5913 1 12 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.160 0.599 18834 5914 1 12 . 1 1 48 48 GLU H H 48 9.317 9.317 8.491 0.826 18834 5915 1 12 . 1 1 49 49 SER N N 49 113.388 113.388 113.312 0.076 18834 5916 1 12 . 1 1 49 49 SER HA H 49 4.100 4.100 4.230 -0.130 18834 5917 1 12 . 1 1 49 49 SER C C 49 175.693 175.693 176.663 -0.970 18834 5918 1 12 . 1 1 49 49 SER CA C 49 61.233 61.233 60.545 0.688 18834 5919 1 12 . 1 1 49 49 SER CB C 49 62.780 62.780 63.227 -0.448 18834 5920 1 12 . 1 1 49 49 SER H H 49 8.115 8.115 8.244 -0.129 18834 5921 1 12 . 1 1 50 50 ASP N N 50 120.047 120.047 119.693 0.354 18834 5922 1 12 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.523 -0.145 18834 5923 1 12 . 1 1 50 50 ASP C C 50 177.650 177.650 177.388 0.262 18834 5924 1 12 . 1 1 50 50 ASP CA C 50 57.214 57.214 55.067 2.147 18834 5925 1 12 . 1 1 50 50 ASP CB C 50 44.241 44.241 42.267 1.974 18834 5926 1 12 . 1 1 50 50 ASP H H 50 7.609 7.609 8.161 -0.552 18834 5927 1 12 . 1 1 51 51 GLY N N 51 102.979 102.979 108.238 -5.259 18834 5928 1 12 . 1 1 51 51 GLY C C 51 174.977 174.977 174.442 0.535 18834 5929 1 12 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.317 1.035 18834 5930 1 12 . 1 1 51 51 GLY H H 51 7.372 7.372 8.271 -0.899 18834 5931 1 12 . 1 1 52 52 ARG N N 52 117.579 117.579 118.658 -1.079 18834 5932 1 12 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.356 -0.042 18834 5933 1 12 . 1 1 52 52 ARG C C 52 175.886 175.886 175.124 0.762 18834 5934 1 12 . 1 1 52 52 ARG CA C 52 57.894 57.894 56.118 1.776 18834 5935 1 12 . 1 1 52 52 ARG CB C 52 33.246 33.246 30.795 2.451 18834 5936 1 12 . 1 1 52 52 ARG H H 52 7.966 7.966 7.903 0.063 18834 5937 1 12 . 1 1 53 53 ILE N N 53 120.155 120.155 118.395 1.760 18834 5938 1 12 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.231 0.005 18834 5939 1 12 . 1 1 53 53 ILE C C 53 173.773 173.773 174.064 -0.291 18834 5940 1 12 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.368 1.037 18834 5941 1 12 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.957 -2.316 18834 5942 1 12 . 1 1 53 53 ILE H H 53 8.225 8.225 7.231 0.994 18834 5943 1 12 . 1 1 54 54 HIS N N 54 123.751 123.751 121.957 1.794 18834 5944 1 12 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.822 -0.032 18834 5945 1 12 . 1 1 54 54 HIS C C 54 173.696 173.696 174.316 -0.620 18834 5946 1 12 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.030 0.814 18834 5947 1 12 . 1 1 54 54 HIS CB C 54 33.566 33.566 34.215 -0.649 18834 5948 1 12 . 1 1 54 54 HIS H H 54 9.061 9.061 8.420 0.641 18834 5949 1 12 . 1 1 55 55 LYS N N 55 120.590 120.590 120.695 -0.105 18834 5950 1 12 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.235 -0.609 18834 5951 1 12 . 1 1 55 55 LYS C C 55 176.916 176.916 177.349 -0.433 18834 5952 1 12 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.684 0.621 18834 5953 1 12 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.739 -0.318 18834 5954 1 12 . 1 1 55 55 LYS H H 55 8.670 8.670 8.569 0.101 18834 5955 1 12 . 1 1 56 56 GLY N N 56 114.645 114.645 112.362 2.283 18834 5956 1 12 . 1 1 56 56 GLY C C 56 174.438 174.438 174.789 -0.351 18834 5957 1 12 . 1 1 56 56 GLY CA C 56 44.762 44.762 45.027 -0.265 18834 5958 1 12 . 1 1 56 56 GLY H H 56 9.201 9.201 8.920 0.281 18834 5959 1 12 . 1 1 57 57 ASP N N 57 121.982 121.982 124.768 -2.786 18834 5960 1 12 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.852 0.035 18834 5961 1 12 . 1 1 57 57 ASP C C 57 174.623 174.623 175.029 -0.406 18834 5962 1 12 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.315 0.521 18834 5963 1 12 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.404 -0.321 18834 5964 1 12 . 1 1 57 57 ASP H H 57 8.058 8.058 7.684 0.374 18834 5965 1 12 . 1 1 58 58 ARG N N 58 123.240 123.240 117.063 6.177 18834 5966 1 12 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.950 -0.335 18834 5967 1 12 . 1 1 58 58 ARG C C 58 175.573 175.573 174.827 0.746 18834 5968 1 12 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.073 0.448 18834 5969 1 12 . 1 1 58 58 ARG CB C 58 33.701 33.701 33.608 0.093 18834 5970 1 12 . 1 1 58 58 ARG H H 58 9.078 9.078 8.756 0.322 18834 5971 1 12 . 1 1 59 59 VAL N N 59 126.202 126.202 119.687 6.515 18834 5972 1 12 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.235 -0.372 18834 5973 1 12 . 1 1 59 59 VAL C C 59 174.458 174.458 175.481 -1.023 18834 5974 1 12 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.295 -0.092 18834 5975 1 12 . 1 1 59 59 VAL CB C 59 30.998 30.998 32.492 -1.494 18834 5976 1 12 . 1 1 59 59 VAL H H 59 8.897 8.897 8.664 0.233 18834 5977 1 12 . 1 1 60 60 LEU N N 60 127.163 127.163 126.502 0.661 18834 5978 1 12 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.469 -0.173 18834 5979 1 12 . 1 1 60 60 LEU C C 60 178.289 178.289 176.379 1.910 18834 5980 1 12 . 1 1 60 60 LEU CA C 60 56.054 56.054 55.721 0.334 18834 5981 1 12 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.978 -0.366 18834 5982 1 12 . 1 1 60 60 LEU H H 60 9.213 9.213 8.659 0.554 18834 5983 1 12 . 1 1 61 61 ALA N N 61 118.886 118.886 118.162 0.724 18834 5984 1 12 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.183 -0.229 18834 5985 1 12 . 1 1 61 61 ALA C C 61 175.288 175.288 175.319 -0.031 18834 5986 1 12 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.521 1.758 18834 5987 1 12 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.444 -0.348 18834 5988 1 12 . 1 1 61 61 ALA H H 61 7.741 7.741 7.391 0.350 18834 5989 1 12 . 1 1 62 62 VAL N N 62 119.929 119.929 120.622 -0.693 18834 5990 1 12 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.243 0.207 18834 5991 1 12 . 1 1 62 62 VAL C C 62 175.323 175.323 176.027 -0.704 18834 5992 1 12 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.938 -0.520 18834 5993 1 12 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.386 0.663 18834 5994 1 12 . 1 1 62 62 VAL H H 62 8.256 8.256 8.555 -0.299 18834 5995 1 12 . 1 1 63 63 ASN N N 63 128.933 128.933 127.448 1.485 18834 5996 1 12 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.469 0.076 18834 5997 1 12 . 1 1 63 63 ASN C C 63 175.197 175.197 175.218 -0.021 18834 5998 1 12 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.314 -0.146 18834 5999 1 12 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.793 -0.897 18834 6000 1 12 . 1 1 63 63 ASN H H 63 10.392 10.392 9.219 1.173 18834 6001 1 12 . 1 1 64 64 GLY N N 64 103.413 103.413 102.212 1.201 18834 6002 1 12 . 1 1 64 64 GLY C C 64 173.872 173.872 174.346 -0.474 18834 6003 1 12 . 1 1 64 64 GLY CA C 64 45.171 45.171 44.983 0.188 18834 6004 1 12 . 1 1 64 64 GLY H H 64 9.085 9.085 8.478 0.607 18834 6005 1 12 . 1 1 65 65 VAL N N 65 123.643 123.643 124.374 -0.731 18834 6006 1 12 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.067 -0.119 18834 6007 1 12 . 1 1 65 65 VAL C C 65 175.645 175.645 175.695 -0.050 18834 6008 1 12 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.904 0.232 18834 6009 1 12 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.831 -0.191 18834 6010 1 12 . 1 1 65 65 VAL H H 65 8.028 8.028 7.888 0.140 18834 6011 1 12 . 1 1 66 66 SER N N 66 120.923 120.923 124.549 -3.626 18834 6012 1 12 . 1 1 66 66 SER HA H 66 4.334 4.334 4.187 0.147 18834 6013 1 12 . 1 1 66 66 SER C C 66 176.388 176.388 173.863 2.525 18834 6014 1 12 . 1 1 66 66 SER CA C 66 58.342 58.342 60.012 -1.670 18834 6015 1 12 . 1 1 66 66 SER CB C 66 63.562 63.562 63.324 0.238 18834 6016 1 12 . 1 1 66 66 SER H H 66 8.647 8.647 8.756 -0.109 18834 6017 1 12 . 1 1 67 67 LEU N N 67 125.116 125.116 126.109 -0.993 18834 6018 1 12 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.662 -0.224 18834 6019 1 12 . 1 1 67 67 LEU C C 67 176.462 176.462 176.428 0.034 18834 6020 1 12 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.255 -0.523 18834 6021 1 12 . 1 1 67 67 LEU CB C 67 40.890 40.890 43.051 -2.161 18834 6022 1 12 . 1 1 67 67 LEU H H 67 8.292 8.292 8.991 -0.699 18834 6023 1 12 . 1 1 68 68 GLU N N 68 123.552 123.552 119.798 3.754 18834 6024 1 12 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.074 -0.039 18834 6025 1 12 . 1 1 68 68 GLU C C 68 177.767 177.767 176.986 0.781 18834 6026 1 12 . 1 1 68 68 GLU CA C 68 58.571 58.571 58.209 0.362 18834 6027 1 12 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.392 -0.340 18834 6028 1 12 . 1 1 68 68 GLU H H 68 8.305 8.305 7.734 0.571 18834 6029 1 12 . 1 1 69 69 GLY N N 69 115.496 115.496 113.255 2.241 18834 6030 1 12 . 1 1 69 69 GLY C C 69 173.618 173.618 174.299 -0.681 18834 6031 1 12 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.831 0.565 18834 6032 1 12 . 1 1 69 69 GLY H H 69 8.977 8.977 8.603 0.374 18834 6033 1 12 . 1 1 70 70 ALA N N 70 121.999 121.999 124.835 -2.836 18834 6034 1 12 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.637 -0.135 18834 6035 1 12 . 1 1 70 70 ALA C C 70 179.820 179.820 176.914 2.906 18834 6036 1 12 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.330 1.085 18834 6037 1 12 . 1 1 70 70 ALA CB C 70 19.638 19.638 20.458 -0.820 18834 6038 1 12 . 1 1 70 70 ALA H H 70 7.807 7.807 7.915 -0.108 18834 6039 1 12 . 1 1 71 71 THR N N 71 111.294 111.294 113.630 -2.336 18834 6040 1 12 . 1 1 71 71 THR HA H 71 4.515 4.515 4.443 0.072 18834 6041 1 12 . 1 1 71 71 THR C C 71 174.717 174.717 176.309 -1.592 18834 6042 1 12 . 1 1 71 71 THR CA C 71 60.692 60.692 60.629 0.063 18834 6043 1 12 . 1 1 71 71 THR CB C 71 71.274 71.274 70.530 0.744 18834 6044 1 12 . 1 1 71 71 THR H H 71 8.222 8.222 8.250 -0.028 18834 6045 1 12 . 1 1 72 72 HIS N N 72 121.871 121.871 117.982 3.889 18834 6046 1 12 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.271 -0.411 18834 6047 1 12 . 1 1 72 72 HIS C C 72 176.702 176.702 177.719 -1.017 18834 6048 1 12 . 1 1 72 72 HIS CA C 72 61.983 61.983 59.422 2.561 18834 6049 1 12 . 1 1 72 72 HIS CB C 72 30.047 30.047 28.889 1.158 18834 6050 1 12 . 1 1 72 72 HIS H H 72 9.217 9.217 8.554 0.663 18834 6051 1 12 . 1 1 73 73 LYS N N 73 116.941 116.941 120.164 -3.223 18834 6052 1 12 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.886 -0.062 18834 6053 1 12 . 1 1 73 73 LYS C C 73 178.288 178.288 178.894 -0.606 18834 6054 1 12 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.767 -0.417 18834 6055 1 12 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.953 0.858 18834 6056 1 12 . 1 1 73 73 LYS H H 73 8.429 8.429 7.882 0.547 18834 6057 1 12 . 1 1 74 74 GLN N N 74 116.915 116.915 117.818 -0.903 18834 6058 1 12 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.999 -0.130 18834 6059 1 12 . 1 1 74 74 GLN C C 74 179.732 179.732 178.633 1.099 18834 6060 1 12 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.742 -0.143 18834 6061 1 12 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.470 -0.119 18834 6062 1 12 . 1 1 74 74 GLN H H 74 7.660 7.660 7.721 -0.061 18834 6063 1 12 . 1 1 75 75 ALA N N 75 122.673 122.673 122.989 -0.316 18834 6064 1 12 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.910 -0.122 18834 6065 1 12 . 1 1 75 75 ALA C C 75 179.078 179.078 179.494 -0.416 18834 6066 1 12 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.427 0.139 18834 6067 1 12 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.293 0.558 18834 6068 1 12 . 1 1 75 75 ALA H H 75 8.379 8.379 8.089 0.290 18834 6069 1 12 . 1 1 76 76 VAL N N 76 112.831 112.831 118.218 -5.387 18834 6070 1 12 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.732 -0.227 18834 6071 1 12 . 1 1 76 76 VAL CA C 76 65.895 65.895 66.506 -0.611 18834 6072 1 12 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.374 -0.683 18834 6073 1 12 . 1 1 76 76 VAL H H 76 8.239 8.239 7.779 0.460 18834 6074 1 12 . 1 1 77 77 CYS C C 77 177.150 177.150 177.612 -0.462 18834 6075 1 12 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.524 -3.133 18834 6076 1 12 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.500 10.282 18834 6077 1 12 . 1 1 78 78 THR N N 78 117.507 117.507 117.039 0.468 18834 6078 1 12 . 1 1 78 78 THR HA H 78 3.858 3.858 4.063 -0.205 18834 6079 1 12 . 1 1 78 78 THR C C 78 176.460 176.460 175.686 0.774 18834 6080 1 12 . 1 1 78 78 THR CA C 78 67.123 67.123 66.258 0.865 18834 6081 1 12 . 1 1 78 78 THR CB C 78 68.123 68.123 68.870 -0.746 18834 6082 1 12 . 1 1 78 78 THR H H 78 8.015 8.015 8.029 -0.014 18834 6083 1 12 . 1 1 79 79 LEU N N 79 119.666 119.666 120.344 -0.678 18834 6084 1 12 . 1 1 79 79 LEU HA H 79 3.750 3.750 4.027 -0.277 18834 6085 1 12 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.978 0.212 18834 6086 1 12 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.908 0.164 18834 6087 1 12 . 1 1 79 79 LEU H H 79 7.984 7.984 7.812 0.172 18834 6088 1 12 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.090 0.107 18834 6089 1 12 . 1 1 80 80 ARG C C 80 177.750 177.750 178.311 -0.561 18834 6090 1 12 . 1 1 80 80 ARG CA C 80 58.307 58.307 58.384 -0.077 18834 6091 1 12 . 1 1 80 80 ARG CB C 80 30.092 30.092 29.862 0.230 18834 6092 1 12 . 1 1 81 81 ASN N N 81 119.843 119.843 119.481 0.362 18834 6093 1 12 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.662 0.322 18834 6094 1 12 . 1 1 81 81 ASN C C 81 174.819 174.819 174.734 0.085 18834 6095 1 12 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.033 0.080 18834 6096 1 12 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.174 0.494 18834 6097 1 12 . 1 1 81 81 ASN H H 81 7.648 7.648 7.839 -0.191 18834 6098 1 12 . 1 1 82 82 THR N N 82 109.907 109.907 112.548 -2.641 18834 6099 1 12 . 1 1 82 82 THR HA H 82 4.447 4.447 4.599 -0.152 18834 6100 1 12 . 1 1 82 82 THR C C 82 175.114 175.114 173.839 1.275 18834 6101 1 12 . 1 1 82 82 THR CA C 82 59.944 59.944 60.238 -0.294 18834 6102 1 12 . 1 1 82 82 THR CB C 82 72.611 72.611 71.870 0.741 18834 6103 1 12 . 1 1 82 82 THR H H 82 7.668 7.668 7.834 -0.166 18834 6104 1 12 . 1 1 83 83 GLY N N 83 109.505 109.505 106.624 2.881 18834 6105 1 12 . 1 1 83 83 GLY C C 83 173.467 173.467 174.869 -1.402 18834 6106 1 12 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.318 -0.226 18834 6107 1 12 . 1 1 83 83 GLY H H 83 8.421 8.421 8.496 -0.075 18834 6108 1 12 . 1 1 84 84 GLN N N 84 117.276 117.276 119.337 -2.061 18834 6109 1 12 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.164 -0.201 18834 6110 1 12 . 1 1 84 84 GLN C C 84 175.254 175.254 176.292 -1.038 18834 6111 1 12 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.441 0.002 18834 6112 1 12 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.082 -0.109 18834 6113 1 12 . 1 1 84 84 GLN H H 84 8.224 8.224 8.556 -0.332 18834 6114 1 12 . 1 1 85 85 VAL N N 85 116.186 116.186 116.579 -0.393 18834 6115 1 12 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.368 0.286 18834 6116 1 12 . 1 1 85 85 VAL C C 85 175.879 175.879 175.274 0.605 18834 6117 1 12 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.658 -0.360 18834 6118 1 12 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.286 -0.156 18834 6119 1 12 . 1 1 85 85 VAL H H 85 7.699 7.699 7.713 -0.014 18834 6120 1 12 . 1 1 86 86 VAL N N 86 128.499 128.499 124.807 3.692 18834 6121 1 12 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.377 0.070 18834 6122 1 12 . 1 1 86 86 VAL C C 86 173.365 173.365 174.358 -0.993 18834 6123 1 12 . 1 1 86 86 VAL CA C 86 60.965 60.965 60.743 0.222 18834 6124 1 12 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.505 1.482 18834 6125 1 12 . 1 1 86 86 VAL H H 86 9.043 9.043 8.942 0.101 18834 6126 1 12 . 1 1 87 87 HIS N N 87 126.357 126.357 126.995 -0.638 18834 6127 1 12 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.421 -0.425 18834 6128 1 12 . 1 1 87 87 HIS C C 87 174.387 174.387 173.850 0.537 18834 6129 1 12 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.564 1.238 18834 6130 1 12 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.858 -0.679 18834 6131 1 12 . 1 1 87 87 HIS H H 87 8.855 8.855 8.781 0.074 18834 6132 1 12 . 1 1 88 88 LEU N N 88 126.780 126.780 121.763 5.017 18834 6133 1 12 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.807 0.153 18834 6134 1 12 . 1 1 88 88 LEU C C 88 173.365 173.365 173.936 -0.571 18834 6135 1 12 . 1 1 88 88 LEU CA C 88 53.494 53.494 54.002 -0.508 18834 6136 1 12 . 1 1 88 88 LEU CB C 88 45.187 45.187 45.219 -0.032 18834 6137 1 12 . 1 1 88 88 LEU H H 88 9.016 9.016 8.086 0.930 18834 6138 1 12 . 1 1 89 89 LEU N N 89 124.435 124.435 122.064 2.371 18834 6139 1 12 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.769 -0.048 18834 6140 1 12 . 1 1 89 89 LEU C C 89 175.213 175.213 176.618 -1.405 18834 6141 1 12 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.273 -0.612 18834 6142 1 12 . 1 1 89 89 LEU CB C 89 45.391 45.391 41.812 3.579 18834 6143 1 12 . 1 1 89 89 LEU H H 89 7.965 7.965 8.049 -0.084 18834 6144 1 12 . 1 1 90 90 LEU N N 90 127.444 127.444 117.480 9.964 18834 6145 1 12 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.207 0.076 18834 6146 1 12 . 1 1 90 90 LEU C C 90 173.560 173.560 174.473 -0.913 18834 6147 1 12 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.470 1.618 18834 6148 1 12 . 1 1 90 90 LEU CB C 90 45.956 45.956 45.831 0.125 18834 6149 1 12 . 1 1 90 90 LEU H H 90 8.909 8.909 8.696 0.213 18834 6150 1 12 . 1 1 91 91 GLU N N 91 118.954 118.954 119.244 -0.290 18834 6151 1 12 . 1 1 91 91 GLU HA H 91 5.062 5.062 5.189 -0.127 18834 6152 1 12 . 1 1 91 91 GLU C C 91 176.652 176.652 175.876 0.776 18834 6153 1 12 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.071 -0.284 18834 6154 1 12 . 1 1 91 91 GLU CB C 91 33.846 33.846 34.119 -0.273 18834 6155 1 12 . 1 1 91 91 GLU H H 91 8.813 8.813 8.934 -0.121 18834 6156 1 12 . 1 1 92 92 LYS N N 92 129.055 129.055 124.851 4.204 18834 6157 1 12 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.509 -0.122 18834 6158 1 12 . 1 1 92 92 LYS C C 92 178.000 178.000 177.361 0.639 18834 6159 1 12 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.029 0.233 18834 6160 1 12 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.666 -0.595 18834 6161 1 12 . 1 1 92 92 LYS H H 92 9.362 9.362 8.423 0.939 18834 6162 1 12 . 1 1 93 93 GLY N N 93 117.893 117.893 109.773 8.120 18834 6163 1 12 . 1 1 93 93 GLY C C 93 173.147 173.147 172.797 0.350 18834 6164 1 12 . 1 1 93 93 GLY CA C 93 45.173 45.173 43.322 1.851 18834 6165 1 12 . 1 1 93 93 GLY H H 93 9.698 9.698 8.838 0.860 18834 6166 1 12 . 1 1 94 94 GLN N N 94 116.797 116.797 117.772 -0.975 18834 6167 1 12 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.581 -0.319 18834 6168 1 12 . 1 1 94 94 GLN C C 94 175.942 175.942 175.675 0.267 18834 6169 1 12 . 1 1 94 94 GLN CA C 94 55.514 55.514 54.393 1.121 18834 6170 1 12 . 1 1 94 94 GLN CB C 94 29.688 29.688 31.634 -1.946 18834 6171 1 12 . 1 1 94 94 GLN H H 94 8.252 8.252 8.568 -0.316 18834 6172 1 12 . 1 1 95 95 SER N N 95 118.117 118.117 118.286 -0.169 18834 6173 1 12 . 1 1 95 95 SER HA H 95 4.658 4.658 4.479 0.179 18834 6174 1 12 . 1 1 95 95 SER CA C 95 56.588 56.588 57.173 -0.585 18834 6175 1 12 . 1 1 95 95 SER CB C 95 63.194 63.194 63.086 0.108 18834 6176 1 12 . 1 1 95 95 SER H H 95 8.377 8.377 8.507 -0.130 18834 6177 1 12 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.491 -0.014 18834 6178 1 12 . 1 1 96 96 PRO C C 96 176.291 176.291 176.229 0.062 18834 6179 1 12 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.799 0.712 18834 6180 1 12 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.172 -0.219 18834 6181 1 13 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.544 -0.070 18834 6182 1 13 . 1 1 2 2 PRO C C 2 175.857 175.857 175.502 0.355 18834 6183 1 13 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.323 0.520 18834 6184 1 13 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.854 -0.586 18834 6185 1 13 . 1 1 3 3 LYS N N 3 124.698 124.698 119.217 5.481 18834 6186 1 13 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.637 -0.047 18834 6187 1 13 . 1 1 3 3 LYS CA C 3 53.618 53.618 53.657 -0.040 18834 6188 1 13 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.276 -0.720 18834 6189 1 13 . 1 1 3 3 LYS H H 3 8.952 8.952 8.096 0.856 18834 6190 1 13 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.167 -0.223 18834 6191 1 13 . 1 1 4 4 PRO C C 4 177.504 177.504 177.141 0.363 18834 6192 1 13 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.079 0.465 18834 6193 1 13 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.096 0.674 18834 6194 1 13 . 1 1 5 5 GLY N N 5 113.728 113.728 113.560 0.168 18834 6195 1 13 . 1 1 5 5 GLY C C 5 174.146 174.146 174.025 0.121 18834 6196 1 13 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.740 0.293 18834 6197 1 13 . 1 1 5 5 GLY H H 5 9.011 9.011 8.262 0.749 18834 6198 1 13 . 1 1 6 6 ASP N N 6 121.776 121.776 121.557 0.219 18834 6199 1 13 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.718 -0.048 18834 6200 1 13 . 1 1 6 6 ASP C C 6 175.673 175.673 175.762 -0.089 18834 6201 1 13 . 1 1 6 6 ASP CA C 6 54.918 54.918 54.181 0.737 18834 6202 1 13 . 1 1 6 6 ASP CB C 6 41.446 41.446 41.864 -0.418 18834 6203 1 13 . 1 1 6 6 ASP H H 6 8.468 8.468 7.962 0.506 18834 6204 1 13 . 1 1 7 7 ILE N N 7 121.570 121.570 123.595 -2.025 18834 6205 1 13 . 1 1 7 7 ILE HA H 7 5.331 5.331 5.057 0.274 18834 6206 1 13 . 1 1 7 7 ILE C C 7 176.824 176.824 175.895 0.929 18834 6207 1 13 . 1 1 7 7 ILE CA C 7 59.601 59.601 60.590 -0.989 18834 6208 1 13 . 1 1 7 7 ILE CB C 7 38.254 38.254 39.291 -1.037 18834 6209 1 13 . 1 1 7 7 ILE H H 7 8.362 8.362 8.346 0.016 18834 6210 1 13 . 1 1 8 8 PHE N N 8 125.816 125.816 123.981 1.835 18834 6211 1 13 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.017 0.055 18834 6212 1 13 . 1 1 8 8 PHE C C 8 171.149 171.149 173.040 -1.891 18834 6213 1 13 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.747 -0.218 18834 6214 1 13 . 1 1 8 8 PHE CB C 8 41.312 41.312 40.897 0.415 18834 6215 1 13 . 1 1 8 8 PHE H H 8 9.476 9.476 9.064 0.412 18834 6216 1 13 . 1 1 9 9 GLU N N 9 118.961 118.961 120.018 -1.057 18834 6217 1 13 . 1 1 9 9 GLU HA H 9 5.213 5.213 5.008 0.205 18834 6218 1 13 . 1 1 9 9 GLU C C 9 175.995 175.995 175.516 0.479 18834 6219 1 13 . 1 1 9 9 GLU CA C 9 53.989 53.989 54.215 -0.226 18834 6220 1 13 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.311 2.117 18834 6221 1 13 . 1 1 9 9 GLU H H 9 8.490 8.490 8.450 0.040 18834 6222 1 13 . 1 1 10 10 VAL N N 10 119.964 119.964 116.217 3.747 18834 6223 1 13 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.451 -0.314 18834 6224 1 13 . 1 1 10 10 VAL C C 10 173.221 173.221 173.987 -0.766 18834 6225 1 13 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.584 1.507 18834 6226 1 13 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.911 0.855 18834 6227 1 13 . 1 1 10 10 VAL H H 10 8.577 8.577 7.697 0.880 18834 6228 1 13 . 1 1 11 11 GLU N N 11 126.219 126.219 120.723 5.496 18834 6229 1 13 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.279 -0.324 18834 6230 1 13 . 1 1 11 11 GLU C C 11 174.538 174.538 174.850 -0.312 18834 6231 1 13 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.616 0.246 18834 6232 1 13 . 1 1 11 11 GLU CB C 11 30.836 30.836 31.308 -0.472 18834 6233 1 13 . 1 1 11 11 GLU H H 11 7.794 7.794 8.352 -0.558 18834 6234 1 13 . 1 1 12 12 LEU N N 12 126.212 126.212 123.535 2.677 18834 6235 1 13 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.740 -0.094 18834 6236 1 13 . 1 1 12 12 LEU C C 12 173.916 173.916 175.527 -1.611 18834 6237 1 13 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.606 -0.469 18834 6238 1 13 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.620 -0.494 18834 6239 1 13 . 1 1 12 12 LEU H H 12 8.848 8.848 8.746 0.102 18834 6240 1 13 . 1 1 13 13 ALA N N 13 126.357 126.357 125.197 1.160 18834 6241 1 13 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.442 0.653 18834 6242 1 13 . 1 1 13 13 ALA C C 13 177.352 177.352 177.083 0.269 18834 6243 1 13 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.828 -1.908 18834 6244 1 13 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.568 -0.191 18834 6245 1 13 . 1 1 13 13 ALA H H 13 8.494 8.494 8.553 -0.059 18834 6246 1 13 . 1 1 14 14 LYS N N 14 120.000 120.000 121.504 -1.504 18834 6247 1 13 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.076 -0.324 18834 6248 1 13 . 1 1 14 14 LYS C C 14 176.313 176.313 176.443 -0.130 18834 6249 1 13 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.970 -0.208 18834 6250 1 13 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.080 1.389 18834 6251 1 13 . 1 1 14 14 LYS H H 14 8.496 8.496 8.132 0.364 18834 6252 1 13 . 1 1 15 15 ASN N N 15 117.473 117.473 115.701 1.772 18834 6253 1 13 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.471 0.446 18834 6254 1 13 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.223 -0.736 18834 6255 1 13 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.388 2.296 18834 6256 1 13 . 1 1 15 15 ASN H H 15 8.079 8.079 8.219 -0.140 18834 6257 1 13 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.248 0.011 18834 6258 1 13 . 1 1 16 16 ASP C C 16 175.515 175.515 176.030 -0.515 18834 6259 1 13 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.202 0.318 18834 6260 1 13 . 1 1 16 16 ASP CB C 16 39.303 39.303 40.105 -0.801 18834 6261 1 13 . 1 1 17 17 ASN N N 17 110.160 110.160 110.222 -0.062 18834 6262 1 13 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.256 -0.024 18834 6263 1 13 . 1 1 17 17 ASN C C 17 174.550 174.550 174.360 0.190 18834 6264 1 13 . 1 1 17 17 ASN CA C 17 54.349 54.349 55.133 -0.784 18834 6265 1 13 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.250 0.205 18834 6266 1 13 . 1 1 17 17 ASN H H 17 8.959 8.959 8.912 0.047 18834 6267 1 13 . 1 1 18 18 SER N N 18 112.013 112.013 115.300 -3.287 18834 6268 1 13 . 1 1 18 18 SER HA H 18 4.976 4.976 4.648 0.328 18834 6269 1 13 . 1 1 18 18 SER CA C 18 56.519 56.519 58.145 -1.626 18834 6270 1 13 . 1 1 18 18 SER CB C 18 65.053 65.053 64.018 1.035 18834 6271 1 13 . 1 1 18 18 SER H H 18 7.892 7.892 7.439 0.453 18834 6272 1 13 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.818 -0.562 18834 6273 1 13 . 1 1 19 19 LEU C C 19 176.996 176.996 177.324 -0.328 18834 6274 1 13 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.726 1.219 18834 6275 1 13 . 1 1 19 19 LEU CB C 19 43.178 43.178 42.765 0.413 18834 6276 1 13 . 1 1 20 20 GLY N N 20 105.651 105.651 106.169 -0.518 18834 6277 1 13 . 1 1 20 20 GLY C C 20 176.218 176.218 173.147 3.071 18834 6278 1 13 . 1 1 20 20 GLY CA C 20 46.868 46.868 44.737 2.131 18834 6279 1 13 . 1 1 20 20 GLY H H 20 8.804 8.804 8.278 0.526 18834 6280 1 13 . 1 1 21 21 ILE N N 21 115.348 115.348 118.950 -3.602 18834 6281 1 13 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.966 -0.124 18834 6282 1 13 . 1 1 21 21 ILE C C 21 175.987 175.987 175.822 0.165 18834 6283 1 13 . 1 1 21 21 ILE CA C 21 59.795 59.795 58.761 1.034 18834 6284 1 13 . 1 1 21 21 ILE CB C 21 42.334 42.334 39.715 2.619 18834 6285 1 13 . 1 1 21 21 ILE H H 21 7.775 7.775 7.654 0.121 18834 6286 1 13 . 1 1 22 22 CYS N N 22 123.503 123.503 119.778 3.725 18834 6287 1 13 . 1 1 22 22 CYS C C 22 176.187 176.187 173.085 3.102 18834 6288 1 13 . 1 1 22 22 CYS CA C 22 53.779 53.779 57.930 -4.151 18834 6289 1 13 . 1 1 22 22 CYS CB C 22 36.527 36.527 29.929 6.598 18834 6290 1 13 . 1 1 22 22 CYS H H 22 8.533 8.533 8.497 0.036 18834 6291 1 13 . 1 1 23 23 VAL N N 23 114.882 114.882 115.292 -0.410 18834 6292 1 13 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.307 0.141 18834 6293 1 13 . 1 1 23 23 VAL C C 23 174.219 174.219 174.047 0.172 18834 6294 1 13 . 1 1 23 23 VAL CA C 23 59.422 59.422 59.826 -0.404 18834 6295 1 13 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.342 -0.248 18834 6296 1 13 . 1 1 23 23 VAL H H 23 7.720 7.720 8.270 -0.550 18834 6297 1 13 . 1 1 24 24 THR N N 24 115.462 115.462 113.764 1.698 18834 6298 1 13 . 1 1 24 24 THR HA H 24 4.691 4.691 3.853 0.838 18834 6299 1 13 . 1 1 24 24 THR C C 24 171.649 171.649 173.021 -1.372 18834 6300 1 13 . 1 1 24 24 THR CA C 24 59.560 59.560 59.526 0.035 18834 6301 1 13 . 1 1 24 24 THR CB C 24 70.573 70.573 69.922 0.650 18834 6302 1 13 . 1 1 24 24 THR H H 24 9.175 9.175 7.940 1.235 18834 6303 1 13 . 1 1 25 25 GLY N N 25 111.734 111.734 109.888 1.846 18834 6304 1 13 . 1 1 25 25 GLY C C 25 174.216 174.216 173.611 0.605 18834 6305 1 13 . 1 1 25 25 GLY CA C 25 44.664 44.664 45.050 -0.386 18834 6306 1 13 . 1 1 25 25 GLY H H 25 8.323 8.323 8.400 -0.077 18834 6307 1 13 . 1 1 26 26 GLY N N 26 107.524 107.524 108.667 -1.143 18834 6308 1 13 . 1 1 26 26 GLY C C 26 176.306 176.306 175.270 1.036 18834 6309 1 13 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.551 -1.781 18834 6310 1 13 . 1 1 26 26 GLY H H 26 7.541 7.541 7.721 -0.180 18834 6311 1 13 . 1 1 27 27 VAL N N 27 116.903 116.903 124.195 -7.292 18834 6312 1 13 . 1 1 27 27 VAL HA H 27 4.128 4.128 3.977 0.151 18834 6313 1 13 . 1 1 27 27 VAL C C 27 175.716 175.716 176.798 -1.082 18834 6314 1 13 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.417 1.476 18834 6315 1 13 . 1 1 27 27 VAL CB C 27 31.963 31.963 31.189 0.774 18834 6316 1 13 . 1 1 27 27 VAL H H 27 8.055 8.055 7.963 0.092 18834 6317 1 13 . 1 1 28 28 ASN N N 28 117.840 117.840 114.163 3.677 18834 6318 1 13 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.490 0.313 18834 6319 1 13 . 1 1 28 28 ASN C C 28 174.846 174.846 174.995 -0.149 18834 6320 1 13 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.435 -0.955 18834 6321 1 13 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.344 0.410 18834 6322 1 13 . 1 1 28 28 ASN H H 28 8.779 8.779 8.024 0.755 18834 6323 1 13 . 1 1 29 29 THR N N 29 111.408 111.408 109.576 1.832 18834 6324 1 13 . 1 1 29 29 THR HA H 29 4.690 4.690 4.239 0.451 18834 6325 1 13 . 1 1 29 29 THR CA C 29 61.624 61.624 61.927 -0.303 18834 6326 1 13 . 1 1 29 29 THR CB C 29 70.939 70.939 69.472 1.467 18834 6327 1 13 . 1 1 29 29 THR H H 29 7.857 7.857 7.658 0.199 18834 6328 1 13 . 1 1 30 30 SER N N 30 113.816 113.816 115.057 -1.241 18834 6329 1 13 . 1 1 30 30 SER HA H 30 4.537 4.537 4.045 0.492 18834 6330 1 13 . 1 1 30 30 SER C C 30 174.867 174.867 174.582 0.285 18834 6331 1 13 . 1 1 30 30 SER CA C 30 58.369 58.369 60.436 -2.067 18834 6332 1 13 . 1 1 30 30 SER CB C 30 63.547 63.547 62.618 0.929 18834 6333 1 13 . 1 1 30 30 SER H H 30 8.438 8.438 8.580 -0.142 18834 6334 1 13 . 1 1 31 31 VAL N N 31 118.013 118.013 115.706 2.307 18834 6335 1 13 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.691 0.407 18834 6336 1 13 . 1 1 31 31 VAL C C 31 176.528 176.528 176.184 0.344 18834 6337 1 13 . 1 1 31 31 VAL CA C 31 62.070 62.070 61.886 0.184 18834 6338 1 13 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.229 0.278 18834 6339 1 13 . 1 1 31 31 VAL H H 31 7.567 7.567 7.371 0.196 18834 6340 1 13 . 1 1 32 32 ARG N N 32 124.719 124.719 126.098 -1.379 18834 6341 1 13 . 1 1 32 32 ARG HA H 32 4.007 4.007 3.942 0.065 18834 6342 1 13 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.517 -0.509 18834 6343 1 13 . 1 1 32 32 ARG CB C 32 29.571 29.571 29.692 -0.121 18834 6344 1 13 . 1 1 32 32 ARG H H 32 8.501 8.501 8.315 0.186 18834 6345 1 13 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.488 0.089 18834 6346 1 13 . 1 1 33 33 HIS C C 33 175.064 175.064 175.787 -0.723 18834 6347 1 13 . 1 1 33 33 HIS CA C 33 56.814 56.814 56.085 0.729 18834 6348 1 13 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.926 -1.835 18834 6349 1 13 . 1 1 34 34 GLY N N 34 109.357 109.357 106.547 2.810 18834 6350 1 13 . 1 1 34 34 GLY C C 34 174.616 174.616 174.084 0.532 18834 6351 1 13 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.112 1.482 18834 6352 1 13 . 1 1 34 34 GLY H H 34 8.469 8.469 7.970 0.499 18834 6353 1 13 . 1 1 35 35 GLY N N 35 104.989 104.989 107.680 -2.691 18834 6354 1 13 . 1 1 35 35 GLY C C 35 170.518 170.518 174.517 -3.999 18834 6355 1 13 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.629 1.012 18834 6356 1 13 . 1 1 35 35 GLY H H 35 7.787 7.787 7.795 -0.008 18834 6357 1 13 . 1 1 36 36 ILE N N 36 119.808 119.808 121.069 -1.261 18834 6358 1 13 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.624 0.122 18834 6359 1 13 . 1 1 36 36 ILE C C 36 174.616 174.616 175.470 -0.854 18834 6360 1 13 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.322 -3.367 18834 6361 1 13 . 1 1 36 36 ILE CB C 36 35.618 35.618 37.075 -1.457 18834 6362 1 13 . 1 1 36 36 ILE H H 36 8.362 8.362 7.763 0.599 18834 6363 1 13 . 1 1 37 37 TYR N N 37 123.168 123.168 127.403 -4.235 18834 6364 1 13 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.980 0.288 18834 6365 1 13 . 1 1 37 37 TYR C C 37 176.069 176.069 175.686 0.383 18834 6366 1 13 . 1 1 37 37 TYR CA C 37 55.959 55.959 55.985 -0.026 18834 6367 1 13 . 1 1 37 37 TYR CB C 37 42.436 42.436 41.169 1.266 18834 6368 1 13 . 1 1 37 37 TYR H H 37 8.904 8.904 8.923 -0.019 18834 6369 1 13 . 1 1 38 38 VAL N N 38 120.273 120.273 122.194 -1.921 18834 6370 1 13 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.359 -0.560 18834 6371 1 13 . 1 1 38 38 VAL C C 38 175.886 175.886 176.235 -0.349 18834 6372 1 13 . 1 1 38 38 VAL CA C 38 64.084 64.084 61.959 2.124 18834 6373 1 13 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.664 0.780 18834 6374 1 13 . 1 1 38 38 VAL H H 38 9.230 9.230 9.077 0.153 18834 6375 1 13 . 1 1 39 39 LYS N N 39 133.619 133.619 127.706 5.913 18834 6376 1 13 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.357 0.032 18834 6377 1 13 . 1 1 39 39 LYS C C 39 174.763 174.763 175.670 -0.907 18834 6378 1 13 . 1 1 39 39 LYS CA C 39 56.536 56.536 56.756 -0.220 18834 6379 1 13 . 1 1 39 39 LYS CB C 39 34.539 34.539 32.502 2.037 18834 6380 1 13 . 1 1 39 39 LYS H H 39 9.584 9.584 8.059 1.525 18834 6381 1 13 . 1 1 40 40 ALA N N 40 117.459 117.459 120.035 -2.576 18834 6382 1 13 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.622 -0.118 18834 6383 1 13 . 1 1 40 40 ALA C C 40 174.686 174.686 174.985 -0.299 18834 6384 1 13 . 1 1 40 40 ALA CA C 40 51.897 51.897 52.067 -0.170 18834 6385 1 13 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.192 1.053 18834 6386 1 13 . 1 1 40 40 ALA H H 40 7.584 7.584 7.260 0.324 18834 6387 1 13 . 1 1 41 41 VAL N N 41 120.599 120.599 121.306 -0.707 18834 6388 1 13 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.388 -0.009 18834 6389 1 13 . 1 1 41 41 VAL C C 41 175.714 175.714 175.644 0.070 18834 6390 1 13 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.436 -0.287 18834 6391 1 13 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.479 -1.973 18834 6392 1 13 . 1 1 41 41 VAL H H 41 8.747 8.747 8.379 0.368 18834 6393 1 13 . 1 1 42 42 ILE N N 42 127.775 127.775 124.549 3.226 18834 6394 1 13 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.593 -0.466 18834 6395 1 13 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.557 1.269 18834 6396 1 13 . 1 1 42 42 ILE CB C 42 38.216 38.216 36.993 1.223 18834 6397 1 13 . 1 1 42 42 ILE H H 42 7.827 7.827 8.573 -0.746 18834 6398 1 13 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.572 -0.097 18834 6399 1 13 . 1 1 43 43 PRO C C 43 177.234 177.234 176.796 0.438 18834 6400 1 13 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.614 1.563 18834 6401 1 13 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.840 -1.039 18834 6402 1 13 . 1 1 44 44 GLN N N 44 116.932 116.932 116.030 0.902 18834 6403 1 13 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.928 -0.080 18834 6404 1 13 . 1 1 44 44 GLN C C 44 175.628 175.628 175.168 0.460 18834 6405 1 13 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.151 0.990 18834 6406 1 13 . 1 1 44 44 GLN CB C 44 26.441 26.441 28.156 -1.715 18834 6407 1 13 . 1 1 44 44 GLN H H 44 9.388 9.388 9.365 0.023 18834 6408 1 13 . 1 1 45 45 GLY N N 45 106.131 106.131 104.486 1.645 18834 6409 1 13 . 1 1 45 45 GLY C C 45 174.404 174.404 173.884 0.520 18834 6410 1 13 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.574 1.084 18834 6411 1 13 . 1 1 45 45 GLY H H 45 7.875 7.875 7.285 0.590 18834 6412 1 13 . 1 1 46 46 ALA N N 46 121.011 121.011 123.365 -2.354 18834 6413 1 13 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.026 0.025 18834 6414 1 13 . 1 1 46 46 ALA C C 46 180.673 180.673 178.943 1.730 18834 6415 1 13 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.557 -0.512 18834 6416 1 13 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.499 0.009 18834 6417 1 13 . 1 1 46 46 ALA H H 46 9.017 9.017 8.920 0.097 18834 6418 1 13 . 1 1 47 47 ALA N N 47 118.848 118.848 121.447 -2.599 18834 6419 1 13 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.860 0.208 18834 6420 1 13 . 1 1 47 47 ALA C C 47 180.699 180.699 179.685 1.014 18834 6421 1 13 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.169 -0.252 18834 6422 1 13 . 1 1 47 47 ALA CB C 47 18.630 18.630 18.037 0.593 18834 6423 1 13 . 1 1 47 47 ALA H H 47 7.754 7.754 8.220 -0.466 18834 6424 1 13 . 1 1 48 48 GLU N N 48 124.400 124.400 119.107 5.293 18834 6425 1 13 . 1 1 48 48 GLU HA H 48 3.823 3.823 3.980 -0.157 18834 6426 1 13 . 1 1 48 48 GLU C C 48 178.174 178.174 178.709 -0.535 18834 6427 1 13 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.801 1.108 18834 6428 1 13 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.549 0.210 18834 6429 1 13 . 1 1 48 48 GLU H H 48 9.317 9.317 8.429 0.888 18834 6430 1 13 . 1 1 49 49 SER N N 49 113.388 113.388 113.909 -0.521 18834 6431 1 13 . 1 1 49 49 SER HA H 49 4.100 4.100 4.208 -0.108 18834 6432 1 13 . 1 1 49 49 SER C C 49 175.693 175.693 176.987 -1.294 18834 6433 1 13 . 1 1 49 49 SER CA C 49 61.233 61.233 60.562 0.671 18834 6434 1 13 . 1 1 49 49 SER CB C 49 62.780 62.780 63.302 -0.522 18834 6435 1 13 . 1 1 49 49 SER H H 49 8.115 8.115 8.358 -0.243 18834 6436 1 13 . 1 1 50 50 ASP N N 50 120.047 120.047 118.978 1.069 18834 6437 1 13 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.548 -0.170 18834 6438 1 13 . 1 1 50 50 ASP C C 50 177.650 177.650 177.039 0.611 18834 6439 1 13 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.823 2.391 18834 6440 1 13 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.726 2.515 18834 6441 1 13 . 1 1 50 50 ASP H H 50 7.609 7.609 8.333 -0.724 18834 6442 1 13 . 1 1 51 51 GLY N N 51 102.979 102.979 108.138 -5.159 18834 6443 1 13 . 1 1 51 51 GLY C C 51 174.977 174.977 175.216 -0.239 18834 6444 1 13 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.797 0.555 18834 6445 1 13 . 1 1 51 51 GLY H H 51 7.372 7.372 7.801 -0.429 18834 6446 1 13 . 1 1 52 52 ARG N N 52 117.579 117.579 118.119 -0.540 18834 6447 1 13 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.257 0.057 18834 6448 1 13 . 1 1 52 52 ARG C C 52 175.886 175.886 175.253 0.633 18834 6449 1 13 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.593 2.301 18834 6450 1 13 . 1 1 52 52 ARG CB C 52 33.246 33.246 29.942 3.304 18834 6451 1 13 . 1 1 52 52 ARG H H 52 7.966 7.966 7.881 0.085 18834 6452 1 13 . 1 1 53 53 ILE N N 53 120.155 120.155 118.289 1.866 18834 6453 1 13 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.284 -0.048 18834 6454 1 13 . 1 1 53 53 ILE C C 53 173.773 173.773 173.687 0.086 18834 6455 1 13 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.254 1.151 18834 6456 1 13 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.943 -2.302 18834 6457 1 13 . 1 1 53 53 ILE H H 53 8.225 8.225 7.141 1.084 18834 6458 1 13 . 1 1 54 54 HIS N N 54 123.751 123.751 122.481 1.270 18834 6459 1 13 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.852 -0.062 18834 6460 1 13 . 1 1 54 54 HIS C C 54 173.696 173.696 174.030 -0.334 18834 6461 1 13 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.116 0.728 18834 6462 1 13 . 1 1 54 54 HIS CB C 54 33.566 33.566 33.739 -0.173 18834 6463 1 13 . 1 1 54 54 HIS H H 54 9.061 9.061 8.429 0.632 18834 6464 1 13 . 1 1 55 55 LYS N N 55 120.590 120.590 120.330 0.260 18834 6465 1 13 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.256 -0.630 18834 6466 1 13 . 1 1 55 55 LYS C C 55 176.916 176.916 177.301 -0.385 18834 6467 1 13 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.747 0.557 18834 6468 1 13 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.652 -0.231 18834 6469 1 13 . 1 1 55 55 LYS H H 55 8.670 8.670 8.530 0.140 18834 6470 1 13 . 1 1 56 56 GLY N N 56 114.645 114.645 111.979 2.666 18834 6471 1 13 . 1 1 56 56 GLY C C 56 174.438 174.438 174.517 -0.079 18834 6472 1 13 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.757 0.006 18834 6473 1 13 . 1 1 56 56 GLY H H 56 9.201 9.201 9.067 0.134 18834 6474 1 13 . 1 1 57 57 ASP N N 57 121.982 121.982 124.514 -2.532 18834 6475 1 13 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.552 0.335 18834 6476 1 13 . 1 1 57 57 ASP C C 57 174.623 174.623 175.272 -0.649 18834 6477 1 13 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.888 -0.052 18834 6478 1 13 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.029 0.054 18834 6479 1 13 . 1 1 57 57 ASP H H 57 8.058 8.058 7.774 0.284 18834 6480 1 13 . 1 1 58 58 ARG N N 58 123.240 123.240 119.874 3.366 18834 6481 1 13 . 1 1 58 58 ARG HA H 58 4.615 4.615 5.051 -0.436 18834 6482 1 13 . 1 1 58 58 ARG C C 58 175.573 175.573 175.582 -0.009 18834 6483 1 13 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.785 -0.264 18834 6484 1 13 . 1 1 58 58 ARG CB C 58 33.701 33.701 33.161 0.540 18834 6485 1 13 . 1 1 58 58 ARG H H 58 9.078 9.078 8.799 0.279 18834 6486 1 13 . 1 1 59 59 VAL N N 59 126.202 126.202 122.787 3.415 18834 6487 1 13 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.058 -0.195 18834 6488 1 13 . 1 1 59 59 VAL C C 59 174.458 174.458 175.398 -0.940 18834 6489 1 13 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.786 -0.583 18834 6490 1 13 . 1 1 59 59 VAL CB C 59 30.998 30.998 31.783 -0.785 18834 6491 1 13 . 1 1 59 59 VAL H H 59 8.897 8.897 8.578 0.319 18834 6492 1 13 . 1 1 60 60 LEU N N 60 127.163 127.163 128.421 -1.258 18834 6493 1 13 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.386 -0.090 18834 6494 1 13 . 1 1 60 60 LEU C C 60 178.289 178.289 176.327 1.962 18834 6495 1 13 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.038 0.016 18834 6496 1 13 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.768 -0.156 18834 6497 1 13 . 1 1 60 60 LEU H H 60 9.213 9.213 8.384 0.829 18834 6498 1 13 . 1 1 61 61 ALA N N 61 118.886 118.886 117.995 0.891 18834 6499 1 13 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.125 -0.171 18834 6500 1 13 . 1 1 61 61 ALA C C 61 175.288 175.288 175.277 0.011 18834 6501 1 13 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.594 1.685 18834 6502 1 13 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.474 -0.379 18834 6503 1 13 . 1 1 61 61 ALA H H 61 7.741 7.741 7.400 0.341 18834 6504 1 13 . 1 1 62 62 VAL N N 62 119.929 119.929 120.460 -0.531 18834 6505 1 13 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.241 0.209 18834 6506 1 13 . 1 1 62 62 VAL C C 62 175.323 175.323 175.917 -0.594 18834 6507 1 13 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.963 -0.545 18834 6508 1 13 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.708 0.342 18834 6509 1 13 . 1 1 62 62 VAL H H 62 8.256 8.256 8.577 -0.321 18834 6510 1 13 . 1 1 63 63 ASN N N 63 128.933 128.933 127.236 1.697 18834 6511 1 13 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.462 0.083 18834 6512 1 13 . 1 1 63 63 ASN C C 63 175.197 175.197 175.227 -0.030 18834 6513 1 13 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.383 -0.215 18834 6514 1 13 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.988 -1.092 18834 6515 1 13 . 1 1 63 63 ASN H H 63 10.392 10.392 9.222 1.170 18834 6516 1 13 . 1 1 64 64 GLY N N 64 103.413 103.413 102.418 0.995 18834 6517 1 13 . 1 1 64 64 GLY C C 64 173.872 173.872 174.461 -0.589 18834 6518 1 13 . 1 1 64 64 GLY CA C 64 45.171 45.171 44.982 0.189 18834 6519 1 13 . 1 1 64 64 GLY H H 64 9.085 9.085 8.425 0.660 18834 6520 1 13 . 1 1 65 65 VAL N N 65 123.643 123.643 124.612 -0.969 18834 6521 1 13 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.039 -0.091 18834 6522 1 13 . 1 1 65 65 VAL C C 65 175.645 175.645 175.668 -0.023 18834 6523 1 13 . 1 1 65 65 VAL CA C 65 62.136 62.136 62.085 0.051 18834 6524 1 13 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.858 -0.218 18834 6525 1 13 . 1 1 65 65 VAL H H 65 8.028 8.028 7.829 0.199 18834 6526 1 13 . 1 1 66 66 SER N N 66 120.923 120.923 124.642 -3.719 18834 6527 1 13 . 1 1 66 66 SER HA H 66 4.334 4.334 4.196 0.138 18834 6528 1 13 . 1 1 66 66 SER C C 66 176.388 176.388 173.834 2.554 18834 6529 1 13 . 1 1 66 66 SER CA C 66 58.342 58.342 59.788 -1.446 18834 6530 1 13 . 1 1 66 66 SER CB C 66 63.562 63.562 63.202 0.360 18834 6531 1 13 . 1 1 66 66 SER H H 66 8.647 8.647 8.744 -0.097 18834 6532 1 13 . 1 1 67 67 LEU N N 67 125.116 125.116 126.758 -1.642 18834 6533 1 13 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.616 -0.178 18834 6534 1 13 . 1 1 67 67 LEU C C 67 176.462 176.462 176.277 0.185 18834 6535 1 13 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.339 -0.607 18834 6536 1 13 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.920 -2.030 18834 6537 1 13 . 1 1 67 67 LEU H H 67 8.292 8.292 8.927 -0.635 18834 6538 1 13 . 1 1 68 68 GLU N N 68 123.552 123.552 119.540 4.012 18834 6539 1 13 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.007 0.028 18834 6540 1 13 . 1 1 68 68 GLU C C 68 177.767 177.767 176.955 0.812 18834 6541 1 13 . 1 1 68 68 GLU CA C 68 58.571 58.571 58.165 0.406 18834 6542 1 13 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.334 -0.282 18834 6543 1 13 . 1 1 68 68 GLU H H 68 8.305 8.305 7.700 0.605 18834 6544 1 13 . 1 1 69 69 GLY N N 69 115.496 115.496 112.732 2.764 18834 6545 1 13 . 1 1 69 69 GLY C C 69 173.618 173.618 174.177 -0.559 18834 6546 1 13 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.801 0.595 18834 6547 1 13 . 1 1 69 69 GLY H H 69 8.977 8.977 8.427 0.550 18834 6548 1 13 . 1 1 70 70 ALA N N 70 121.999 121.999 124.060 -2.061 18834 6549 1 13 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.647 -0.145 18834 6550 1 13 . 1 1 70 70 ALA C C 70 179.820 179.820 176.187 3.633 18834 6551 1 13 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.480 0.935 18834 6552 1 13 . 1 1 70 70 ALA CB C 70 19.638 19.638 19.761 -0.123 18834 6553 1 13 . 1 1 70 70 ALA H H 70 7.807 7.807 8.124 -0.317 18834 6554 1 13 . 1 1 71 71 THR N N 71 111.294 111.294 111.575 -0.281 18834 6555 1 13 . 1 1 71 71 THR HA H 71 4.515 4.515 4.422 0.093 18834 6556 1 13 . 1 1 71 71 THR C C 71 174.717 174.717 176.398 -1.681 18834 6557 1 13 . 1 1 71 71 THR CA C 71 60.692 60.692 60.725 -0.033 18834 6558 1 13 . 1 1 71 71 THR CB C 71 71.274 71.274 70.578 0.696 18834 6559 1 13 . 1 1 71 71 THR H H 71 8.222 8.222 7.954 0.268 18834 6560 1 13 . 1 1 72 72 HIS N N 72 121.871 121.871 119.807 2.064 18834 6561 1 13 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.237 -0.377 18834 6562 1 13 . 1 1 72 72 HIS C C 72 176.702 176.702 177.738 -1.036 18834 6563 1 13 . 1 1 72 72 HIS CA C 72 61.983 61.983 61.011 0.973 18834 6564 1 13 . 1 1 72 72 HIS CB C 72 30.047 30.047 29.266 0.781 18834 6565 1 13 . 1 1 72 72 HIS H H 72 9.217 9.217 9.151 0.066 18834 6566 1 13 . 1 1 73 73 LYS N N 73 116.941 116.941 119.280 -2.339 18834 6567 1 13 . 1 1 73 73 LYS HA H 73 3.824 3.824 4.011 -0.187 18834 6568 1 13 . 1 1 73 73 LYS C C 73 178.288 178.288 179.278 -0.990 18834 6569 1 13 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.732 -0.382 18834 6570 1 13 . 1 1 73 73 LYS CB C 73 32.811 32.811 32.121 0.690 18834 6571 1 13 . 1 1 73 73 LYS H H 73 8.429 8.429 8.409 0.020 18834 6572 1 13 . 1 1 74 74 GLN N N 74 116.915 116.915 118.079 -1.164 18834 6573 1 13 . 1 1 74 74 GLN HA H 74 3.869 3.869 4.039 -0.170 18834 6574 1 13 . 1 1 74 74 GLN C C 74 179.732 179.732 178.516 1.216 18834 6575 1 13 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.599 0.000 18834 6576 1 13 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.204 0.147 18834 6577 1 13 . 1 1 74 74 GLN H H 74 7.660 7.660 7.861 -0.201 18834 6578 1 13 . 1 1 75 75 ALA N N 75 122.673 122.673 122.690 -0.017 18834 6579 1 13 . 1 1 75 75 ALA HA H 75 3.788 3.788 4.011 -0.224 18834 6580 1 13 . 1 1 75 75 ALA C C 75 179.078 179.078 179.711 -0.633 18834 6581 1 13 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.363 0.203 18834 6582 1 13 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.235 0.616 18834 6583 1 13 . 1 1 75 75 ALA H H 75 8.379 8.379 8.429 -0.050 18834 6584 1 13 . 1 1 76 76 VAL N N 76 112.831 112.831 114.809 -1.978 18834 6585 1 13 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.818 -0.313 18834 6586 1 13 . 1 1 76 76 VAL CA C 76 65.895 65.895 65.388 0.507 18834 6587 1 13 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.062 -0.371 18834 6588 1 13 . 1 1 76 76 VAL H H 76 8.239 8.239 7.816 0.423 18834 6589 1 13 . 1 1 77 77 CYS C C 77 177.150 177.150 177.011 0.139 18834 6590 1 13 . 1 1 77 77 CYS CA C 77 60.391 60.391 62.874 -2.483 18834 6591 1 13 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.476 10.306 18834 6592 1 13 . 1 1 78 78 THR N N 78 117.507 117.507 116.830 0.677 18834 6593 1 13 . 1 1 78 78 THR HA H 78 3.858 3.858 4.070 -0.212 18834 6594 1 13 . 1 1 78 78 THR C C 78 176.460 176.460 175.802 0.658 18834 6595 1 13 . 1 1 78 78 THR CA C 78 67.123 67.123 66.369 0.754 18834 6596 1 13 . 1 1 78 78 THR CB C 78 68.123 68.123 68.752 -0.629 18834 6597 1 13 . 1 1 78 78 THR H H 78 8.015 8.015 8.188 -0.173 18834 6598 1 13 . 1 1 79 79 LEU N N 79 119.666 119.666 119.426 0.240 18834 6599 1 13 . 1 1 79 79 LEU HA H 79 3.750 3.750 4.045 -0.295 18834 6600 1 13 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.157 1.033 18834 6601 1 13 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.991 0.081 18834 6602 1 13 . 1 1 79 79 LEU H H 79 7.984 7.984 7.601 0.383 18834 6603 1 13 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.109 0.088 18834 6604 1 13 . 1 1 80 80 ARG C C 80 177.750 177.750 178.340 -0.590 18834 6605 1 13 . 1 1 80 80 ARG CA C 80 58.307 58.307 57.824 0.483 18834 6606 1 13 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.636 -0.544 18834 6607 1 13 . 1 1 81 81 ASN N N 81 119.843 119.843 120.017 -0.174 18834 6608 1 13 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.717 0.267 18834 6609 1 13 . 1 1 81 81 ASN C C 81 174.819 174.819 174.917 -0.098 18834 6610 1 13 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.528 -0.415 18834 6611 1 13 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.065 0.603 18834 6612 1 13 . 1 1 81 81 ASN H H 81 7.648 7.648 8.153 -0.505 18834 6613 1 13 . 1 1 82 82 THR N N 82 109.907 109.907 111.422 -1.515 18834 6614 1 13 . 1 1 82 82 THR HA H 82 4.447 4.447 4.774 -0.327 18834 6615 1 13 . 1 1 82 82 THR C C 82 175.114 175.114 174.447 0.667 18834 6616 1 13 . 1 1 82 82 THR CA C 82 59.944 59.944 60.390 -0.446 18834 6617 1 13 . 1 1 82 82 THR CB C 82 72.611 72.611 71.958 0.653 18834 6618 1 13 . 1 1 82 82 THR H H 82 7.668 7.668 7.830 -0.162 18834 6619 1 13 . 1 1 83 83 GLY N N 83 109.505 109.505 106.836 2.669 18834 6620 1 13 . 1 1 83 83 GLY C C 83 173.467 173.467 174.923 -1.456 18834 6621 1 13 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.132 -0.040 18834 6622 1 13 . 1 1 83 83 GLY H H 83 8.421 8.421 8.461 -0.040 18834 6623 1 13 . 1 1 84 84 GLN N N 84 117.276 117.276 118.811 -1.535 18834 6624 1 13 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.260 -0.297 18834 6625 1 13 . 1 1 84 84 GLN C C 84 175.254 175.254 176.474 -1.220 18834 6626 1 13 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.399 0.044 18834 6627 1 13 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.079 -0.106 18834 6628 1 13 . 1 1 84 84 GLN H H 84 8.224 8.224 8.466 -0.242 18834 6629 1 13 . 1 1 85 85 VAL N N 85 116.186 116.186 115.523 0.663 18834 6630 1 13 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.242 0.412 18834 6631 1 13 . 1 1 85 85 VAL C C 85 175.879 175.879 174.928 0.951 18834 6632 1 13 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.631 -0.333 18834 6633 1 13 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.437 -0.307 18834 6634 1 13 . 1 1 85 85 VAL H H 85 7.699 7.699 7.658 0.041 18834 6635 1 13 . 1 1 86 86 VAL N N 86 128.499 128.499 122.966 5.533 18834 6636 1 13 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.309 0.138 18834 6637 1 13 . 1 1 86 86 VAL C C 86 173.365 173.365 174.509 -1.144 18834 6638 1 13 . 1 1 86 86 VAL CA C 86 60.965 60.965 61.125 -0.160 18834 6639 1 13 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.489 1.498 18834 6640 1 13 . 1 1 86 86 VAL H H 86 9.043 9.043 9.109 -0.066 18834 6641 1 13 . 1 1 87 87 HIS N N 87 126.357 126.357 127.968 -1.611 18834 6642 1 13 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.506 -0.510 18834 6643 1 13 . 1 1 87 87 HIS C C 87 174.387 174.387 173.805 0.582 18834 6644 1 13 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.499 1.302 18834 6645 1 13 . 1 1 87 87 HIS CB C 87 31.179 31.179 32.169 -0.990 18834 6646 1 13 . 1 1 87 87 HIS H H 87 8.855 8.855 8.805 0.050 18834 6647 1 13 . 1 1 88 88 LEU N N 88 126.780 126.780 123.315 3.465 18834 6648 1 13 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.706 0.254 18834 6649 1 13 . 1 1 88 88 LEU C C 88 173.365 173.365 173.926 -0.561 18834 6650 1 13 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.573 -0.079 18834 6651 1 13 . 1 1 88 88 LEU CB C 88 45.187 45.187 44.561 0.626 18834 6652 1 13 . 1 1 88 88 LEU H H 88 9.016 9.016 8.015 1.001 18834 6653 1 13 . 1 1 89 89 LEU N N 89 124.435 124.435 122.153 2.282 18834 6654 1 13 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.761 -0.040 18834 6655 1 13 . 1 1 89 89 LEU C C 89 175.213 175.213 176.728 -1.515 18834 6656 1 13 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.178 -0.517 18834 6657 1 13 . 1 1 89 89 LEU CB C 89 45.391 45.391 41.372 4.019 18834 6658 1 13 . 1 1 89 89 LEU H H 89 7.965 7.965 8.070 -0.105 18834 6659 1 13 . 1 1 90 90 LEU N N 90 127.444 127.444 118.016 9.428 18834 6660 1 13 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.295 -0.012 18834 6661 1 13 . 1 1 90 90 LEU C C 90 173.560 173.560 174.792 -1.232 18834 6662 1 13 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.245 1.843 18834 6663 1 13 . 1 1 90 90 LEU CB C 90 45.956 45.956 45.618 0.338 18834 6664 1 13 . 1 1 90 90 LEU H H 90 8.909 8.909 8.877 0.032 18834 6665 1 13 . 1 1 91 91 GLU N N 91 118.954 118.954 119.656 -0.702 18834 6666 1 13 . 1 1 91 91 GLU HA H 91 5.062 5.062 5.038 0.024 18834 6667 1 13 . 1 1 91 91 GLU C C 91 176.652 176.652 175.909 0.743 18834 6668 1 13 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.120 -0.333 18834 6669 1 13 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.909 -0.063 18834 6670 1 13 . 1 1 91 91 GLU H H 91 8.813 8.813 8.968 -0.155 18834 6671 1 13 . 1 1 92 92 LYS N N 92 129.055 129.055 126.199 2.856 18834 6672 1 13 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.303 0.084 18834 6673 1 13 . 1 1 92 92 LYS C C 92 178.000 178.000 177.537 0.463 18834 6674 1 13 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.893 -0.631 18834 6675 1 13 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.650 -0.579 18834 6676 1 13 . 1 1 92 92 LYS H H 92 9.362 9.362 8.861 0.501 18834 6677 1 13 . 1 1 93 93 GLY N N 93 117.893 117.893 110.561 7.332 18834 6678 1 13 . 1 1 93 93 GLY C C 93 173.147 173.147 172.933 0.214 18834 6679 1 13 . 1 1 93 93 GLY CA C 93 45.173 45.173 43.620 1.553 18834 6680 1 13 . 1 1 93 93 GLY H H 93 9.698 9.698 8.344 1.354 18834 6681 1 13 . 1 1 94 94 GLN N N 94 116.797 116.797 118.846 -2.049 18834 6682 1 13 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.391 -0.129 18834 6683 1 13 . 1 1 94 94 GLN C C 94 175.942 175.942 175.903 0.039 18834 6684 1 13 . 1 1 94 94 GLN CA C 94 55.514 55.514 55.518 -0.004 18834 6685 1 13 . 1 1 94 94 GLN CB C 94 29.688 29.688 29.893 -0.205 18834 6686 1 13 . 1 1 94 94 GLN H H 94 8.252 8.252 8.517 -0.265 18834 6687 1 13 . 1 1 95 95 SER N N 95 118.117 118.117 121.517 -3.400 18834 6688 1 13 . 1 1 95 95 SER HA H 95 4.658 4.658 4.333 0.325 18834 6689 1 13 . 1 1 95 95 SER CA C 95 56.588 56.588 57.569 -0.981 18834 6690 1 13 . 1 1 95 95 SER CB C 95 63.194 63.194 62.802 0.392 18834 6691 1 13 . 1 1 95 95 SER H H 95 8.377 8.377 8.531 -0.154 18834 6692 1 13 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.542 -0.065 18834 6693 1 13 . 1 1 96 96 PRO C C 96 176.291 176.291 176.038 0.253 18834 6694 1 13 . 1 1 96 96 PRO CA C 96 63.511 63.511 63.013 0.498 18834 6695 1 13 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.375 -0.422 18834 6696 1 14 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.566 -0.092 18834 6697 1 14 . 1 1 2 2 PRO C C 2 175.857 175.857 175.754 0.103 18834 6698 1 14 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.411 0.432 18834 6699 1 14 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.857 -0.589 18834 6700 1 14 . 1 1 3 3 LYS N N 3 124.698 124.698 121.054 3.644 18834 6701 1 14 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.617 -0.027 18834 6702 1 14 . 1 1 3 3 LYS CA C 3 53.618 53.618 53.753 -0.135 18834 6703 1 14 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.774 -1.218 18834 6704 1 14 . 1 1 3 3 LYS H H 3 8.952 8.952 8.317 0.635 18834 6705 1 14 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.194 -0.250 18834 6706 1 14 . 1 1 4 4 PRO C C 4 177.504 177.504 177.283 0.221 18834 6707 1 14 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.084 0.460 18834 6708 1 14 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.154 0.617 18834 6709 1 14 . 1 1 5 5 GLY N N 5 113.728 113.728 114.015 -0.287 18834 6710 1 14 . 1 1 5 5 GLY C C 5 174.146 174.146 174.036 0.110 18834 6711 1 14 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.809 0.224 18834 6712 1 14 . 1 1 5 5 GLY H H 5 9.011 9.011 8.357 0.654 18834 6713 1 14 . 1 1 6 6 ASP N N 6 121.776 121.776 121.528 0.248 18834 6714 1 14 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.796 -0.126 18834 6715 1 14 . 1 1 6 6 ASP C C 6 175.673 175.673 175.470 0.203 18834 6716 1 14 . 1 1 6 6 ASP CA C 6 54.918 54.918 53.688 1.230 18834 6717 1 14 . 1 1 6 6 ASP CB C 6 41.446 41.446 42.203 -0.757 18834 6718 1 14 . 1 1 6 6 ASP H H 6 8.468 8.468 8.058 0.410 18834 6719 1 14 . 1 1 7 7 ILE N N 7 121.570 121.570 123.053 -1.483 18834 6720 1 14 . 1 1 7 7 ILE HA H 7 5.331 5.331 5.205 0.126 18834 6721 1 14 . 1 1 7 7 ILE C C 7 176.824 176.824 175.972 0.852 18834 6722 1 14 . 1 1 7 7 ILE CA C 7 59.601 59.601 60.228 -0.627 18834 6723 1 14 . 1 1 7 7 ILE CB C 7 38.254 38.254 39.620 -1.367 18834 6724 1 14 . 1 1 7 7 ILE H H 7 8.362 8.362 8.338 0.024 18834 6725 1 14 . 1 1 8 8 PHE N N 8 125.816 125.816 124.485 1.331 18834 6726 1 14 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.109 -0.037 18834 6727 1 14 . 1 1 8 8 PHE C C 8 171.149 171.149 173.094 -1.945 18834 6728 1 14 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.363 0.166 18834 6729 1 14 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.081 0.231 18834 6730 1 14 . 1 1 8 8 PHE H H 8 9.476 9.476 8.937 0.539 18834 6731 1 14 . 1 1 9 9 GLU N N 9 118.961 118.961 120.570 -1.609 18834 6732 1 14 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.339 0.874 18834 6733 1 14 . 1 1 9 9 GLU C C 9 175.995 175.995 175.770 0.225 18834 6734 1 14 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.113 -1.124 18834 6735 1 14 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.972 1.456 18834 6736 1 14 . 1 1 9 9 GLU H H 9 8.490 8.490 8.488 0.002 18834 6737 1 14 . 1 1 10 10 VAL N N 10 119.964 119.964 117.771 2.193 18834 6738 1 14 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.538 -0.401 18834 6739 1 14 . 1 1 10 10 VAL C C 10 173.221 173.221 173.839 -0.618 18834 6740 1 14 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.645 1.446 18834 6741 1 14 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.889 0.877 18834 6742 1 14 . 1 1 10 10 VAL H H 10 8.577 8.577 7.811 0.766 18834 6743 1 14 . 1 1 11 11 GLU N N 11 126.219 126.219 122.072 4.147 18834 6744 1 14 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.073 -0.118 18834 6745 1 14 . 1 1 11 11 GLU C C 11 174.538 174.538 175.577 -1.039 18834 6746 1 14 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.927 -0.065 18834 6747 1 14 . 1 1 11 11 GLU CB C 11 30.836 30.836 30.563 0.273 18834 6748 1 14 . 1 1 11 11 GLU H H 11 7.794 7.794 8.343 -0.549 18834 6749 1 14 . 1 1 12 12 LEU N N 12 126.212 126.212 126.438 -0.226 18834 6750 1 14 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.740 -0.094 18834 6751 1 14 . 1 1 12 12 LEU C C 12 173.916 173.916 175.481 -1.565 18834 6752 1 14 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.681 -0.544 18834 6753 1 14 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.454 -0.328 18834 6754 1 14 . 1 1 12 12 LEU H H 12 8.848 8.848 9.025 -0.177 18834 6755 1 14 . 1 1 13 13 ALA N N 13 126.357 126.357 126.172 0.185 18834 6756 1 14 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.464 0.631 18834 6757 1 14 . 1 1 13 13 ALA C C 13 177.352 177.352 176.971 0.381 18834 6758 1 14 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.611 -1.692 18834 6759 1 14 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.970 -0.593 18834 6760 1 14 . 1 1 13 13 ALA H H 13 8.494 8.494 8.601 -0.107 18834 6761 1 14 . 1 1 14 14 LYS N N 14 120.000 120.000 119.537 0.463 18834 6762 1 14 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.088 -0.336 18834 6763 1 14 . 1 1 14 14 LYS C C 14 176.313 176.313 176.348 -0.035 18834 6764 1 14 . 1 1 14 14 LYS CA C 14 57.762 57.762 58.051 -0.289 18834 6765 1 14 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.170 1.299 18834 6766 1 14 . 1 1 14 14 LYS H H 14 8.496 8.496 8.080 0.416 18834 6767 1 14 . 1 1 15 15 ASN N N 15 117.473 117.473 115.763 1.710 18834 6768 1 14 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.463 0.454 18834 6769 1 14 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.517 -1.030 18834 6770 1 14 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.643 2.041 18834 6771 1 14 . 1 1 15 15 ASN H H 15 8.079 8.079 8.132 -0.053 18834 6772 1 14 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.284 -0.025 18834 6773 1 14 . 1 1 16 16 ASP C C 16 175.515 175.515 175.593 -0.078 18834 6774 1 14 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.619 -0.099 18834 6775 1 14 . 1 1 16 16 ASP CB C 16 39.303 39.303 39.986 -0.683 18834 6776 1 14 . 1 1 17 17 ASN N N 17 110.160 110.160 111.111 -0.951 18834 6777 1 14 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.222 0.010 18834 6778 1 14 . 1 1 17 17 ASN C C 17 174.550 174.550 174.221 0.329 18834 6779 1 14 . 1 1 17 17 ASN CA C 17 54.349 54.349 55.217 -0.868 18834 6780 1 14 . 1 1 17 17 ASN CB C 17 38.455 38.455 37.978 0.477 18834 6781 1 14 . 1 1 17 17 ASN H H 17 8.959 8.959 8.704 0.255 18834 6782 1 14 . 1 1 18 18 SER N N 18 112.013 112.013 115.214 -3.201 18834 6783 1 14 . 1 1 18 18 SER HA H 18 4.976 4.976 4.608 0.368 18834 6784 1 14 . 1 1 18 18 SER CA C 18 56.519 56.519 58.191 -1.672 18834 6785 1 14 . 1 1 18 18 SER CB C 18 65.053 65.053 64.141 0.912 18834 6786 1 14 . 1 1 18 18 SER H H 18 7.892 7.892 7.507 0.385 18834 6787 1 14 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.807 -0.551 18834 6788 1 14 . 1 1 19 19 LEU C C 19 176.996 176.996 177.031 -0.035 18834 6789 1 14 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.585 1.360 18834 6790 1 14 . 1 1 19 19 LEU CB C 19 43.178 43.178 42.917 0.261 18834 6791 1 14 . 1 1 20 20 GLY N N 20 105.651 105.651 105.388 0.263 18834 6792 1 14 . 1 1 20 20 GLY C C 20 176.218 176.218 173.547 2.671 18834 6793 1 14 . 1 1 20 20 GLY CA C 20 46.868 46.868 44.926 1.942 18834 6794 1 14 . 1 1 20 20 GLY H H 20 8.804 8.804 8.267 0.537 18834 6795 1 14 . 1 1 21 21 ILE N N 21 115.348 115.348 119.838 -4.490 18834 6796 1 14 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.304 0.538 18834 6797 1 14 . 1 1 21 21 ILE C C 21 175.987 175.987 175.644 0.343 18834 6798 1 14 . 1 1 21 21 ILE CA C 21 59.795 59.795 58.847 0.948 18834 6799 1 14 . 1 1 21 21 ILE CB C 21 42.334 42.334 38.722 3.612 18834 6800 1 14 . 1 1 21 21 ILE H H 21 7.775 7.775 7.703 0.072 18834 6801 1 14 . 1 1 22 22 CYS N N 22 123.503 123.503 119.334 4.169 18834 6802 1 14 . 1 1 22 22 CYS C C 22 176.187 176.187 173.142 3.045 18834 6803 1 14 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.197 -4.418 18834 6804 1 14 . 1 1 22 22 CYS CB C 22 36.527 36.527 30.560 5.967 18834 6805 1 14 . 1 1 22 22 CYS H H 22 8.533 8.533 8.232 0.301 18834 6806 1 14 . 1 1 23 23 VAL N N 23 114.882 114.882 115.315 -0.433 18834 6807 1 14 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.132 0.316 18834 6808 1 14 . 1 1 23 23 VAL C C 23 174.219 174.219 174.151 0.068 18834 6809 1 14 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.152 -0.730 18834 6810 1 14 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.102 -0.008 18834 6811 1 14 . 1 1 23 23 VAL H H 23 7.720 7.720 8.176 -0.456 18834 6812 1 14 . 1 1 24 24 THR N N 24 115.462 115.462 114.667 0.795 18834 6813 1 14 . 1 1 24 24 THR HA H 24 4.691 4.691 4.455 0.236 18834 6814 1 14 . 1 1 24 24 THR C C 24 171.649 171.649 173.293 -1.644 18834 6815 1 14 . 1 1 24 24 THR CA C 24 59.560 59.560 60.236 -0.676 18834 6816 1 14 . 1 1 24 24 THR CB C 24 70.573 70.573 71.082 -0.509 18834 6817 1 14 . 1 1 24 24 THR H H 24 9.175 9.175 8.365 0.810 18834 6818 1 14 . 1 1 25 25 GLY N N 25 111.734 111.734 112.471 -0.737 18834 6819 1 14 . 1 1 25 25 GLY C C 25 174.216 174.216 174.318 -0.102 18834 6820 1 14 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.940 -0.276 18834 6821 1 14 . 1 1 25 25 GLY H H 25 8.323 8.323 8.588 -0.265 18834 6822 1 14 . 1 1 26 26 GLY N N 26 107.524 107.524 110.227 -2.703 18834 6823 1 14 . 1 1 26 26 GLY C C 26 176.306 176.306 175.058 1.248 18834 6824 1 14 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.707 -1.937 18834 6825 1 14 . 1 1 26 26 GLY H H 26 7.541 7.541 8.135 -0.594 18834 6826 1 14 . 1 1 27 27 VAL N N 27 116.903 116.903 123.110 -6.207 18834 6827 1 14 . 1 1 27 27 VAL HA H 27 4.128 4.128 3.984 0.144 18834 6828 1 14 . 1 1 27 27 VAL C C 27 175.716 175.716 176.171 -0.455 18834 6829 1 14 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.990 0.904 18834 6830 1 14 . 1 1 27 27 VAL CB C 27 31.963 31.963 31.168 0.795 18834 6831 1 14 . 1 1 27 27 VAL H H 27 8.055 8.055 7.828 0.227 18834 6832 1 14 . 1 1 28 28 ASN N N 28 117.840 117.840 113.246 4.594 18834 6833 1 14 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.446 0.357 18834 6834 1 14 . 1 1 28 28 ASN C C 28 174.846 174.846 174.831 0.015 18834 6835 1 14 . 1 1 28 28 ASN CA C 28 53.480 53.480 53.836 -0.356 18834 6836 1 14 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.708 0.046 18834 6837 1 14 . 1 1 28 28 ASN H H 28 8.779 8.779 8.337 0.442 18834 6838 1 14 . 1 1 29 29 THR N N 29 111.408 111.408 111.467 -0.059 18834 6839 1 14 . 1 1 29 29 THR HA H 29 4.690 4.690 4.234 0.456 18834 6840 1 14 . 1 1 29 29 THR CA C 29 61.624 61.624 62.078 -0.454 18834 6841 1 14 . 1 1 29 29 THR CB C 29 70.939 70.939 69.045 1.894 18834 6842 1 14 . 1 1 29 29 THR H H 29 7.857 7.857 7.521 0.336 18834 6843 1 14 . 1 1 30 30 SER N N 30 113.816 113.816 114.361 -0.545 18834 6844 1 14 . 1 1 30 30 SER HA H 30 4.537 4.537 4.025 0.512 18834 6845 1 14 . 1 1 30 30 SER C C 30 174.867 174.867 174.804 0.063 18834 6846 1 14 . 1 1 30 30 SER CA C 30 58.369 58.369 60.215 -1.846 18834 6847 1 14 . 1 1 30 30 SER CB C 30 63.547 63.547 62.660 0.887 18834 6848 1 14 . 1 1 30 30 SER H H 30 8.438 8.438 8.541 -0.103 18834 6849 1 14 . 1 1 31 31 VAL N N 31 118.013 118.013 116.944 1.069 18834 6850 1 14 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.666 0.432 18834 6851 1 14 . 1 1 31 31 VAL C C 31 176.528 176.528 176.987 -0.459 18834 6852 1 14 . 1 1 31 31 VAL CA C 31 62.070 62.070 62.547 -0.478 18834 6853 1 14 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.102 0.405 18834 6854 1 14 . 1 1 31 31 VAL H H 31 7.567 7.567 7.398 0.169 18834 6855 1 14 . 1 1 32 32 ARG N N 32 124.719 124.719 125.524 -0.805 18834 6856 1 14 . 1 1 32 32 ARG HA H 32 4.007 4.007 3.936 0.071 18834 6857 1 14 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.824 -0.815 18834 6858 1 14 . 1 1 32 32 ARG CB C 32 29.571 29.571 29.369 0.202 18834 6859 1 14 . 1 1 32 32 ARG H H 32 8.501 8.501 8.560 -0.059 18834 6860 1 14 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.482 0.095 18834 6861 1 14 . 1 1 33 33 HIS C C 33 175.064 175.064 175.509 -0.445 18834 6862 1 14 . 1 1 33 33 HIS CA C 33 56.814 56.814 55.828 0.986 18834 6863 1 14 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.965 -1.874 18834 6864 1 14 . 1 1 34 34 GLY N N 34 109.357 109.357 108.136 1.221 18834 6865 1 14 . 1 1 34 34 GLY C C 34 174.616 174.616 172.663 1.953 18834 6866 1 14 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.212 1.382 18834 6867 1 14 . 1 1 34 34 GLY H H 34 8.469 8.469 7.533 0.936 18834 6868 1 14 . 1 1 35 35 GLY N N 35 104.989 104.989 105.972 -0.983 18834 6869 1 14 . 1 1 35 35 GLY C C 35 170.518 170.518 173.264 -2.746 18834 6870 1 14 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.623 1.018 18834 6871 1 14 . 1 1 35 35 GLY H H 35 7.787 7.787 7.525 0.262 18834 6872 1 14 . 1 1 36 36 ILE N N 36 119.808 119.808 121.732 -1.924 18834 6873 1 14 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.749 -0.003 18834 6874 1 14 . 1 1 36 36 ILE C C 36 174.616 174.616 175.103 -0.487 18834 6875 1 14 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.167 -3.212 18834 6876 1 14 . 1 1 36 36 ILE CB C 36 35.618 35.618 37.162 -1.544 18834 6877 1 14 . 1 1 36 36 ILE H H 36 8.362 8.362 8.305 0.057 18834 6878 1 14 . 1 1 37 37 TYR N N 37 123.168 123.168 127.822 -4.654 18834 6879 1 14 . 1 1 37 37 TYR HA H 37 5.268 5.268 5.029 0.239 18834 6880 1 14 . 1 1 37 37 TYR C C 37 176.069 176.069 175.801 0.268 18834 6881 1 14 . 1 1 37 37 TYR CA C 37 55.959 55.959 55.519 0.440 18834 6882 1 14 . 1 1 37 37 TYR CB C 37 42.436 42.436 41.329 1.107 18834 6883 1 14 . 1 1 37 37 TYR H H 37 8.904 8.904 9.195 -0.291 18834 6884 1 14 . 1 1 38 38 VAL N N 38 120.273 120.273 122.399 -2.126 18834 6885 1 14 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.182 -0.383 18834 6886 1 14 . 1 1 38 38 VAL C C 38 175.886 175.886 176.354 -0.468 18834 6887 1 14 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.543 1.541 18834 6888 1 14 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.625 0.819 18834 6889 1 14 . 1 1 38 38 VAL H H 38 9.230 9.230 8.683 0.547 18834 6890 1 14 . 1 1 39 39 LYS N N 39 133.619 133.619 129.357 4.262 18834 6891 1 14 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.179 0.210 18834 6892 1 14 . 1 1 39 39 LYS C C 39 174.763 174.763 174.956 -0.193 18834 6893 1 14 . 1 1 39 39 LYS CA C 39 56.536 56.536 56.871 -0.335 18834 6894 1 14 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.084 1.455 18834 6895 1 14 . 1 1 39 39 LYS H H 39 9.584 9.584 8.146 1.438 18834 6896 1 14 . 1 1 40 40 ALA N N 40 117.459 117.459 117.989 -0.530 18834 6897 1 14 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.604 -0.100 18834 6898 1 14 . 1 1 40 40 ALA C C 40 174.686 174.686 174.714 -0.028 18834 6899 1 14 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.989 -0.092 18834 6900 1 14 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.177 1.068 18834 6901 1 14 . 1 1 40 40 ALA H H 40 7.584 7.584 7.119 0.465 18834 6902 1 14 . 1 1 41 41 VAL N N 41 120.599 120.599 121.340 -0.741 18834 6903 1 14 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.433 -0.054 18834 6904 1 14 . 1 1 41 41 VAL C C 41 175.714 175.714 175.953 -0.239 18834 6905 1 14 . 1 1 41 41 VAL CA C 41 61.149 61.149 60.833 0.316 18834 6906 1 14 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.386 -1.880 18834 6907 1 14 . 1 1 41 41 VAL H H 41 8.747 8.747 8.390 0.357 18834 6908 1 14 . 1 1 42 42 ILE N N 42 127.775 127.775 123.617 4.158 18834 6909 1 14 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.529 -0.402 18834 6910 1 14 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.282 1.544 18834 6911 1 14 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.068 1.148 18834 6912 1 14 . 1 1 42 42 ILE H H 42 7.827 7.827 8.297 -0.470 18834 6913 1 14 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.629 -0.154 18834 6914 1 14 . 1 1 43 43 PRO C C 43 177.234 177.234 176.683 0.551 18834 6915 1 14 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.733 1.444 18834 6916 1 14 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.968 -1.167 18834 6917 1 14 . 1 1 44 44 GLN N N 44 116.932 116.932 114.943 1.989 18834 6918 1 14 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.935 -0.087 18834 6919 1 14 . 1 1 44 44 GLN C C 44 175.628 175.628 175.503 0.125 18834 6920 1 14 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.434 0.707 18834 6921 1 14 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.614 -1.173 18834 6922 1 14 . 1 1 44 44 GLN H H 44 9.388 9.388 9.319 0.069 18834 6923 1 14 . 1 1 45 45 GLY N N 45 106.131 106.131 104.442 1.689 18834 6924 1 14 . 1 1 45 45 GLY C C 45 174.404 174.404 173.961 0.443 18834 6925 1 14 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.730 0.928 18834 6926 1 14 . 1 1 45 45 GLY H H 45 7.875 7.875 7.298 0.577 18834 6927 1 14 . 1 1 46 46 ALA N N 46 121.011 121.011 123.455 -2.444 18834 6928 1 14 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.054 -0.003 18834 6929 1 14 . 1 1 46 46 ALA C C 46 180.673 180.673 178.922 1.751 18834 6930 1 14 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.569 -0.524 18834 6931 1 14 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.553 -0.045 18834 6932 1 14 . 1 1 46 46 ALA H H 46 9.017 9.017 8.970 0.047 18834 6933 1 14 . 1 1 47 47 ALA N N 47 118.848 118.848 121.427 -2.579 18834 6934 1 14 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.902 0.166 18834 6935 1 14 . 1 1 47 47 ALA C C 47 180.699 180.699 179.634 1.065 18834 6936 1 14 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.209 -0.292 18834 6937 1 14 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.987 0.643 18834 6938 1 14 . 1 1 47 47 ALA H H 47 7.754 7.754 8.226 -0.472 18834 6939 1 14 . 1 1 48 48 GLU N N 48 124.400 124.400 119.195 5.205 18834 6940 1 14 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.020 -0.197 18834 6941 1 14 . 1 1 48 48 GLU C C 48 178.174 178.174 178.857 -0.683 18834 6942 1 14 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.883 1.026 18834 6943 1 14 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.590 0.169 18834 6944 1 14 . 1 1 48 48 GLU H H 48 9.317 9.317 8.632 0.685 18834 6945 1 14 . 1 1 49 49 SER N N 49 113.388 113.388 114.130 -0.742 18834 6946 1 14 . 1 1 49 49 SER HA H 49 4.100 4.100 4.222 -0.122 18834 6947 1 14 . 1 1 49 49 SER C C 49 175.693 175.693 176.432 -0.739 18834 6948 1 14 . 1 1 49 49 SER CA C 49 61.233 61.233 61.362 -0.129 18834 6949 1 14 . 1 1 49 49 SER CB C 49 62.780 62.780 63.202 -0.422 18834 6950 1 14 . 1 1 49 49 SER H H 49 8.115 8.115 8.384 -0.269 18834 6951 1 14 . 1 1 50 50 ASP N N 50 120.047 120.047 119.160 0.887 18834 6952 1 14 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.611 -0.233 18834 6953 1 14 . 1 1 50 50 ASP C C 50 177.650 177.650 176.887 0.763 18834 6954 1 14 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.029 3.185 18834 6955 1 14 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.977 2.264 18834 6956 1 14 . 1 1 50 50 ASP H H 50 7.609 7.609 8.134 -0.525 18834 6957 1 14 . 1 1 51 51 GLY N N 51 102.979 102.979 107.263 -4.284 18834 6958 1 14 . 1 1 51 51 GLY C C 51 174.977 174.977 175.453 -0.476 18834 6959 1 14 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.737 0.615 18834 6960 1 14 . 1 1 51 51 GLY H H 51 7.372 7.372 7.774 -0.402 18834 6961 1 14 . 1 1 52 52 ARG N N 52 117.579 117.579 118.684 -1.105 18834 6962 1 14 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.613 -0.299 18834 6963 1 14 . 1 1 52 52 ARG C C 52 175.886 175.886 175.915 -0.029 18834 6964 1 14 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.707 2.187 18834 6965 1 14 . 1 1 52 52 ARG CB C 52 33.246 33.246 30.655 2.591 18834 6966 1 14 . 1 1 52 52 ARG H H 52 7.966 7.966 8.057 -0.091 18834 6967 1 14 . 1 1 53 53 ILE N N 53 120.155 120.155 117.721 2.434 18834 6968 1 14 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.329 -0.093 18834 6969 1 14 . 1 1 53 53 ILE C C 53 173.773 173.773 173.725 0.048 18834 6970 1 14 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.498 0.907 18834 6971 1 14 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.392 -1.751 18834 6972 1 14 . 1 1 53 53 ILE H H 53 8.225 8.225 7.688 0.537 18834 6973 1 14 . 1 1 54 54 HIS N N 54 123.751 123.751 120.444 3.307 18834 6974 1 14 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.843 -0.053 18834 6975 1 14 . 1 1 54 54 HIS C C 54 173.696 173.696 173.419 0.277 18834 6976 1 14 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.114 0.730 18834 6977 1 14 . 1 1 54 54 HIS CB C 54 33.566 33.566 31.412 2.154 18834 6978 1 14 . 1 1 54 54 HIS H H 54 9.061 9.061 8.205 0.856 18834 6979 1 14 . 1 1 55 55 LYS N N 55 120.590 120.590 119.459 1.131 18834 6980 1 14 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.206 -0.580 18834 6981 1 14 . 1 1 55 55 LYS C C 55 176.916 176.916 177.312 -0.396 18834 6982 1 14 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.520 0.784 18834 6983 1 14 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.603 -0.182 18834 6984 1 14 . 1 1 55 55 LYS H H 55 8.670 8.670 8.532 0.138 18834 6985 1 14 . 1 1 56 56 GLY N N 56 114.645 114.645 111.599 3.046 18834 6986 1 14 . 1 1 56 56 GLY C C 56 174.438 174.438 174.169 0.269 18834 6987 1 14 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.983 -0.221 18834 6988 1 14 . 1 1 56 56 GLY H H 56 9.201 9.201 8.819 0.382 18834 6989 1 14 . 1 1 57 57 ASP N N 57 121.982 121.982 123.220 -1.238 18834 6990 1 14 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.472 0.415 18834 6991 1 14 . 1 1 57 57 ASP C C 57 174.623 174.623 174.277 0.346 18834 6992 1 14 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.111 0.725 18834 6993 1 14 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.165 -0.082 18834 6994 1 14 . 1 1 57 57 ASP H H 57 8.058 8.058 6.948 1.110 18834 6995 1 14 . 1 1 58 58 ARG N N 58 123.240 123.240 121.187 2.053 18834 6996 1 14 . 1 1 58 58 ARG HA H 58 4.615 4.615 5.003 -0.388 18834 6997 1 14 . 1 1 58 58 ARG C C 58 175.573 175.573 174.611 0.962 18834 6998 1 14 . 1 1 58 58 ARG CA C 58 54.521 54.521 53.625 0.896 18834 6999 1 14 . 1 1 58 58 ARG CB C 58 33.701 33.701 33.251 0.450 18834 7000 1 14 . 1 1 58 58 ARG H H 58 9.078 9.078 8.713 0.365 18834 7001 1 14 . 1 1 59 59 VAL N N 59 126.202 126.202 126.063 0.139 18834 7002 1 14 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.342 -0.479 18834 7003 1 14 . 1 1 59 59 VAL C C 59 174.458 174.458 175.212 -0.754 18834 7004 1 14 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.435 -0.232 18834 7005 1 14 . 1 1 59 59 VAL CB C 59 30.998 30.998 31.361 -0.363 18834 7006 1 14 . 1 1 59 59 VAL H H 59 8.897 8.897 8.830 0.067 18834 7007 1 14 . 1 1 60 60 LEU N N 60 127.163 127.163 128.485 -1.322 18834 7008 1 14 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.340 -0.044 18834 7009 1 14 . 1 1 60 60 LEU C C 60 178.289 178.289 176.058 2.231 18834 7010 1 14 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.640 -0.586 18834 7011 1 14 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.838 -0.226 18834 7012 1 14 . 1 1 60 60 LEU H H 60 9.213 9.213 8.799 0.414 18834 7013 1 14 . 1 1 61 61 ALA N N 61 118.886 118.886 117.376 1.510 18834 7014 1 14 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.103 -0.149 18834 7015 1 14 . 1 1 61 61 ALA C C 61 175.288 175.288 175.268 0.020 18834 7016 1 14 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.581 1.698 18834 7017 1 14 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.354 -0.258 18834 7018 1 14 . 1 1 61 61 ALA H H 61 7.741 7.741 7.353 0.388 18834 7019 1 14 . 1 1 62 62 VAL N N 62 119.929 119.929 120.276 -0.347 18834 7020 1 14 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.337 0.113 18834 7021 1 14 . 1 1 62 62 VAL C C 62 175.323 175.323 176.052 -0.729 18834 7022 1 14 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.836 -0.418 18834 7023 1 14 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.804 0.246 18834 7024 1 14 . 1 1 62 62 VAL H H 62 8.256 8.256 8.622 -0.366 18834 7025 1 14 . 1 1 63 63 ASN N N 63 128.933 128.933 126.894 2.039 18834 7026 1 14 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.403 0.142 18834 7027 1 14 . 1 1 63 63 ASN C C 63 175.197 175.197 175.222 -0.025 18834 7028 1 14 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.439 -0.271 18834 7029 1 14 . 1 1 63 63 ASN CB C 63 36.896 36.896 38.090 -1.194 18834 7030 1 14 . 1 1 63 63 ASN H H 63 10.392 10.392 9.376 1.016 18834 7031 1 14 . 1 1 64 64 GLY N N 64 103.413 103.413 102.842 0.571 18834 7032 1 14 . 1 1 64 64 GLY C C 64 173.872 173.872 174.443 -0.571 18834 7033 1 14 . 1 1 64 64 GLY CA C 64 45.171 45.171 44.940 0.231 18834 7034 1 14 . 1 1 64 64 GLY H H 64 9.085 9.085 8.457 0.628 18834 7035 1 14 . 1 1 65 65 VAL N N 65 123.643 123.643 125.131 -1.488 18834 7036 1 14 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.004 -0.056 18834 7037 1 14 . 1 1 65 65 VAL C C 65 175.645 175.645 175.666 -0.021 18834 7038 1 14 . 1 1 65 65 VAL CA C 65 62.136 62.136 62.309 -0.173 18834 7039 1 14 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.801 -0.161 18834 7040 1 14 . 1 1 65 65 VAL H H 65 8.028 8.028 7.909 0.119 18834 7041 1 14 . 1 1 66 66 SER N N 66 120.923 120.923 124.809 -3.886 18834 7042 1 14 . 1 1 66 66 SER HA H 66 4.334 4.334 4.206 0.128 18834 7043 1 14 . 1 1 66 66 SER C C 66 176.388 176.388 173.887 2.501 18834 7044 1 14 . 1 1 66 66 SER CA C 66 58.342 58.342 59.778 -1.436 18834 7045 1 14 . 1 1 66 66 SER CB C 66 63.562 63.562 63.258 0.304 18834 7046 1 14 . 1 1 66 66 SER H H 66 8.647 8.647 8.684 -0.037 18834 7047 1 14 . 1 1 67 67 LEU N N 67 125.116 125.116 126.550 -1.434 18834 7048 1 14 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.616 -0.178 18834 7049 1 14 . 1 1 67 67 LEU C C 67 176.462 176.462 176.372 0.090 18834 7050 1 14 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.076 -0.344 18834 7051 1 14 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.639 -1.750 18834 7052 1 14 . 1 1 67 67 LEU H H 67 8.292 8.292 8.904 -0.612 18834 7053 1 14 . 1 1 68 68 GLU N N 68 123.552 123.552 119.642 3.910 18834 7054 1 14 . 1 1 68 68 GLU HA H 68 4.035 4.035 3.992 0.043 18834 7055 1 14 . 1 1 68 68 GLU C C 68 177.767 177.767 177.385 0.382 18834 7056 1 14 . 1 1 68 68 GLU CA C 68 58.571 58.571 58.147 0.424 18834 7057 1 14 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.253 -0.202 18834 7058 1 14 . 1 1 68 68 GLU H H 68 8.305 8.305 7.652 0.653 18834 7059 1 14 . 1 1 69 69 GLY N N 69 115.496 115.496 112.178 3.318 18834 7060 1 14 . 1 1 69 69 GLY C C 69 173.618 173.618 174.117 -0.499 18834 7061 1 14 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.909 0.487 18834 7062 1 14 . 1 1 69 69 GLY H H 69 8.977 8.977 8.971 0.006 18834 7063 1 14 . 1 1 70 70 ALA N N 70 121.999 121.999 123.965 -1.966 18834 7064 1 14 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.550 -0.048 18834 7065 1 14 . 1 1 70 70 ALA C C 70 179.820 179.820 176.624 3.196 18834 7066 1 14 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.471 0.944 18834 7067 1 14 . 1 1 70 70 ALA CB C 70 19.638 19.638 20.190 -0.552 18834 7068 1 14 . 1 1 70 70 ALA H H 70 7.807 7.807 7.927 -0.120 18834 7069 1 14 . 1 1 71 71 THR N N 71 111.294 111.294 114.199 -2.905 18834 7070 1 14 . 1 1 71 71 THR HA H 71 4.515 4.515 4.323 0.192 18834 7071 1 14 . 1 1 71 71 THR C C 71 174.717 174.717 175.694 -0.977 18834 7072 1 14 . 1 1 71 71 THR CA C 71 60.692 60.692 60.588 0.104 18834 7073 1 14 . 1 1 71 71 THR CB C 71 71.274 71.274 70.670 0.604 18834 7074 1 14 . 1 1 71 71 THR H H 71 8.222 8.222 7.894 0.328 18834 7075 1 14 . 1 1 72 72 HIS N N 72 121.871 121.871 121.165 0.706 18834 7076 1 14 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.144 -0.284 18834 7077 1 14 . 1 1 72 72 HIS C C 72 176.702 176.702 177.223 -0.521 18834 7078 1 14 . 1 1 72 72 HIS CA C 72 61.983 61.983 60.367 1.616 18834 7079 1 14 . 1 1 72 72 HIS CB C 72 30.047 30.047 29.919 0.128 18834 7080 1 14 . 1 1 72 72 HIS H H 72 9.217 9.217 9.035 0.182 18834 7081 1 14 . 1 1 73 73 LYS N N 73 116.941 116.941 118.578 -1.637 18834 7082 1 14 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.957 -0.133 18834 7083 1 14 . 1 1 73 73 LYS C C 73 178.288 178.288 179.364 -1.076 18834 7084 1 14 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.705 -0.354 18834 7085 1 14 . 1 1 73 73 LYS CB C 73 32.811 32.811 32.042 0.769 18834 7086 1 14 . 1 1 73 73 LYS H H 73 8.429 8.429 8.187 0.242 18834 7087 1 14 . 1 1 74 74 GLN N N 74 116.915 116.915 117.879 -0.964 18834 7088 1 14 . 1 1 74 74 GLN HA H 74 3.869 3.869 4.028 -0.159 18834 7089 1 14 . 1 1 74 74 GLN C C 74 179.732 179.732 178.555 1.177 18834 7090 1 14 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.532 0.067 18834 7091 1 14 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.097 0.254 18834 7092 1 14 . 1 1 74 74 GLN H H 74 7.660 7.660 7.726 -0.066 18834 7093 1 14 . 1 1 75 75 ALA N N 75 122.673 122.673 122.032 0.641 18834 7094 1 14 . 1 1 75 75 ALA HA H 75 3.788 3.788 4.024 -0.236 18834 7095 1 14 . 1 1 75 75 ALA C C 75 179.078 179.078 179.537 -0.459 18834 7096 1 14 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.563 0.003 18834 7097 1 14 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.084 0.767 18834 7098 1 14 . 1 1 75 75 ALA H H 75 8.379 8.379 8.448 -0.069 18834 7099 1 14 . 1 1 76 76 VAL N N 76 112.831 112.831 114.840 -2.009 18834 7100 1 14 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.824 -0.319 18834 7101 1 14 . 1 1 76 76 VAL CA C 76 65.895 65.895 65.004 0.890 18834 7102 1 14 . 1 1 76 76 VAL CB C 76 30.691 30.691 30.432 0.259 18834 7103 1 14 . 1 1 76 76 VAL H H 76 8.239 8.239 7.639 0.600 18834 7104 1 14 . 1 1 77 77 CYS C C 77 177.150 177.150 177.549 -0.399 18834 7105 1 14 . 1 1 77 77 CYS CA C 77 60.391 60.391 64.189 -3.799 18834 7106 1 14 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.615 10.167 18834 7107 1 14 . 1 1 78 78 THR N N 78 117.507 117.507 116.708 0.799 18834 7108 1 14 . 1 1 78 78 THR HA H 78 3.858 3.858 4.059 -0.201 18834 7109 1 14 . 1 1 78 78 THR C C 78 176.460 176.460 175.771 0.689 18834 7110 1 14 . 1 1 78 78 THR CA C 78 67.123 67.123 66.572 0.551 18834 7111 1 14 . 1 1 78 78 THR CB C 78 68.123 68.123 68.775 -0.652 18834 7112 1 14 . 1 1 78 78 THR H H 78 8.015 8.015 8.062 -0.047 18834 7113 1 14 . 1 1 79 79 LEU N N 79 119.666 119.666 119.831 -0.165 18834 7114 1 14 . 1 1 79 79 LEU HA H 79 3.750 3.750 4.014 -0.264 18834 7115 1 14 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.294 0.896 18834 7116 1 14 . 1 1 79 79 LEU CB C 79 42.072 42.072 42.020 0.052 18834 7117 1 14 . 1 1 79 79 LEU H H 79 7.984 7.984 7.679 0.305 18834 7118 1 14 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.028 0.169 18834 7119 1 14 . 1 1 80 80 ARG C C 80 177.750 177.750 178.683 -0.933 18834 7120 1 14 . 1 1 80 80 ARG CA C 80 58.307 58.307 59.250 -0.943 18834 7121 1 14 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.375 -0.283 18834 7122 1 14 . 1 1 81 81 ASN N N 81 119.843 119.843 119.099 0.744 18834 7123 1 14 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.689 0.295 18834 7124 1 14 . 1 1 81 81 ASN C C 81 174.819 174.819 174.799 0.020 18834 7125 1 14 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.157 -0.044 18834 7126 1 14 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.224 0.444 18834 7127 1 14 . 1 1 81 81 ASN H H 81 7.648 7.648 8.054 -0.406 18834 7128 1 14 . 1 1 82 82 THR N N 82 109.907 109.907 111.309 -1.402 18834 7129 1 14 . 1 1 82 82 THR HA H 82 4.447 4.447 4.680 -0.233 18834 7130 1 14 . 1 1 82 82 THR C C 82 175.114 175.114 174.587 0.527 18834 7131 1 14 . 1 1 82 82 THR CA C 82 59.944 59.944 60.487 -0.543 18834 7132 1 14 . 1 1 82 82 THR CB C 82 72.611 72.611 71.667 0.944 18834 7133 1 14 . 1 1 82 82 THR H H 82 7.668 7.668 7.692 -0.024 18834 7134 1 14 . 1 1 83 83 GLY N N 83 109.505 109.505 106.700 2.805 18834 7135 1 14 . 1 1 83 83 GLY C C 83 173.467 173.467 174.485 -1.018 18834 7136 1 14 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.009 0.083 18834 7137 1 14 . 1 1 83 83 GLY H H 83 8.421 8.421 8.512 -0.091 18834 7138 1 14 . 1 1 84 84 GLN N N 84 117.276 117.276 118.941 -1.665 18834 7139 1 14 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.327 -0.364 18834 7140 1 14 . 1 1 84 84 GLN C C 84 175.254 175.254 176.570 -1.316 18834 7141 1 14 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.437 0.006 18834 7142 1 14 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.154 -0.181 18834 7143 1 14 . 1 1 84 84 GLN H H 84 8.224 8.224 8.513 -0.289 18834 7144 1 14 . 1 1 85 85 VAL N N 85 116.186 116.186 115.954 0.232 18834 7145 1 14 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.031 0.623 18834 7146 1 14 . 1 1 85 85 VAL C C 85 175.879 175.879 174.927 0.952 18834 7147 1 14 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.729 -0.431 18834 7148 1 14 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.154 -0.024 18834 7149 1 14 . 1 1 85 85 VAL H H 85 7.699 7.699 7.675 0.024 18834 7150 1 14 . 1 1 86 86 VAL N N 86 128.499 128.499 123.985 4.514 18834 7151 1 14 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.312 0.135 18834 7152 1 14 . 1 1 86 86 VAL C C 86 173.365 173.365 174.502 -1.137 18834 7153 1 14 . 1 1 86 86 VAL CA C 86 60.965 60.965 61.032 -0.067 18834 7154 1 14 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.488 1.499 18834 7155 1 14 . 1 1 86 86 VAL H H 86 9.043 9.043 9.125 -0.082 18834 7156 1 14 . 1 1 87 87 HIS N N 87 126.357 126.357 127.484 -1.127 18834 7157 1 14 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.518 -0.522 18834 7158 1 14 . 1 1 87 87 HIS C C 87 174.387 174.387 173.813 0.574 18834 7159 1 14 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.227 1.575 18834 7160 1 14 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.446 -0.267 18834 7161 1 14 . 1 1 87 87 HIS H H 87 8.855 8.855 8.834 0.021 18834 7162 1 14 . 1 1 88 88 LEU N N 88 126.780 126.780 123.013 3.767 18834 7163 1 14 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.995 -0.035 18834 7164 1 14 . 1 1 88 88 LEU C C 88 173.365 173.365 173.967 -0.602 18834 7165 1 14 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.641 -0.147 18834 7166 1 14 . 1 1 88 88 LEU CB C 88 45.187 45.187 45.102 0.085 18834 7167 1 14 . 1 1 88 88 LEU H H 88 9.016 9.016 7.841 1.175 18834 7168 1 14 . 1 1 89 89 LEU N N 89 124.435 124.435 122.647 1.788 18834 7169 1 14 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.698 0.023 18834 7170 1 14 . 1 1 89 89 LEU C C 89 175.213 175.213 176.343 -1.130 18834 7171 1 14 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.264 -0.603 18834 7172 1 14 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.167 3.224 18834 7173 1 14 . 1 1 89 89 LEU H H 89 7.965 7.965 7.976 -0.011 18834 7174 1 14 . 1 1 90 90 LEU N N 90 127.444 127.444 122.310 5.134 18834 7175 1 14 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.048 0.235 18834 7176 1 14 . 1 1 90 90 LEU C C 90 173.560 173.560 175.849 -2.289 18834 7177 1 14 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.262 1.826 18834 7178 1 14 . 1 1 90 90 LEU CB C 90 45.956 45.956 42.602 3.354 18834 7179 1 14 . 1 1 90 90 LEU H H 90 8.909 8.909 8.728 0.181 18834 7180 1 14 . 1 1 91 91 GLU N N 91 118.954 118.954 121.005 -2.051 18834 7181 1 14 . 1 1 91 91 GLU HA H 91 5.062 5.062 4.989 0.073 18834 7182 1 14 . 1 1 91 91 GLU C C 91 176.652 176.652 175.892 0.760 18834 7183 1 14 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.154 -0.367 18834 7184 1 14 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.527 0.319 18834 7185 1 14 . 1 1 91 91 GLU H H 91 8.813 8.813 9.152 -0.339 18834 7186 1 14 . 1 1 92 92 LYS N N 92 129.055 129.055 126.651 2.404 18834 7187 1 14 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.444 -0.057 18834 7188 1 14 . 1 1 92 92 LYS C C 92 178.000 178.000 177.605 0.395 18834 7189 1 14 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.492 -0.230 18834 7190 1 14 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.141 -0.070 18834 7191 1 14 . 1 1 92 92 LYS H H 92 9.362 9.362 8.986 0.376 18834 7192 1 14 . 1 1 93 93 GLY N N 93 117.893 117.893 109.867 8.026 18834 7193 1 14 . 1 1 93 93 GLY C C 93 173.147 173.147 173.791 -0.644 18834 7194 1 14 . 1 1 93 93 GLY CA C 93 45.173 45.173 43.992 1.181 18834 7195 1 14 . 1 1 93 93 GLY H H 93 9.698 9.698 9.637 0.061 18834 7196 1 14 . 1 1 94 94 GLN N N 94 116.797 116.797 118.118 -1.321 18834 7197 1 14 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.005 0.257 18834 7198 1 14 . 1 1 94 94 GLN C C 94 175.942 175.942 174.578 1.364 18834 7199 1 14 . 1 1 94 94 GLN CA C 94 55.514 55.514 56.994 -1.480 18834 7200 1 14 . 1 1 94 94 GLN CB C 94 29.688 29.688 28.635 1.053 18834 7201 1 14 . 1 1 94 94 GLN H H 94 8.252 8.252 7.736 0.516 18834 7202 1 14 . 1 1 95 95 SER N N 95 118.117 118.117 117.473 0.644 18834 7203 1 14 . 1 1 95 95 SER HA H 95 4.658 4.658 5.025 -0.367 18834 7204 1 14 . 1 1 95 95 SER CA C 95 56.588 56.588 56.402 0.186 18834 7205 1 14 . 1 1 95 95 SER CB C 95 63.194 63.194 63.478 -0.284 18834 7206 1 14 . 1 1 95 95 SER H H 95 8.377 8.377 8.494 -0.117 18834 7207 1 14 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.584 -0.107 18834 7208 1 14 . 1 1 96 96 PRO C C 96 176.291 176.291 175.721 0.570 18834 7209 1 14 . 1 1 96 96 PRO CA C 96 63.511 63.511 63.303 0.208 18834 7210 1 14 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.249 -0.297 18834 7211 1 15 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.639 -0.165 18834 7212 1 15 . 1 1 2 2 PRO C C 2 175.857 175.857 175.842 0.015 18834 7213 1 15 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.364 0.479 18834 7214 1 15 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.715 -0.447 18834 7215 1 15 . 1 1 3 3 LYS N N 3 124.698 124.698 120.513 4.185 18834 7216 1 15 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.621 -0.031 18834 7217 1 15 . 1 1 3 3 LYS CA C 3 53.618 53.618 53.800 -0.182 18834 7218 1 15 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.562 -1.006 18834 7219 1 15 . 1 1 3 3 LYS H H 3 8.952 8.952 8.206 0.746 18834 7220 1 15 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.099 -0.155 18834 7221 1 15 . 1 1 4 4 PRO C C 4 177.504 177.504 177.391 0.113 18834 7222 1 15 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.146 0.398 18834 7223 1 15 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.327 0.443 18834 7224 1 15 . 1 1 5 5 GLY N N 5 113.728 113.728 113.697 0.031 18834 7225 1 15 . 1 1 5 5 GLY C C 5 174.146 174.146 174.200 -0.054 18834 7226 1 15 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.831 0.202 18834 7227 1 15 . 1 1 5 5 GLY H H 5 9.011 9.011 8.343 0.668 18834 7228 1 15 . 1 1 6 6 ASP N N 6 121.776 121.776 121.944 -0.168 18834 7229 1 15 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.746 -0.076 18834 7230 1 15 . 1 1 6 6 ASP C C 6 175.673 175.673 175.716 -0.043 18834 7231 1 15 . 1 1 6 6 ASP CA C 6 54.918 54.918 54.035 0.883 18834 7232 1 15 . 1 1 6 6 ASP CB C 6 41.446 41.446 41.919 -0.473 18834 7233 1 15 . 1 1 6 6 ASP H H 6 8.468 8.468 8.038 0.430 18834 7234 1 15 . 1 1 7 7 ILE N N 7 121.570 121.570 123.315 -1.745 18834 7235 1 15 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.967 0.364 18834 7236 1 15 . 1 1 7 7 ILE C C 7 176.824 176.824 176.044 0.780 18834 7237 1 15 . 1 1 7 7 ILE CA C 7 59.601 59.601 59.384 0.217 18834 7238 1 15 . 1 1 7 7 ILE CB C 7 38.254 38.254 37.877 0.377 18834 7239 1 15 . 1 1 7 7 ILE H H 7 8.362 8.362 8.309 0.053 18834 7240 1 15 . 1 1 8 8 PHE N N 8 125.816 125.816 125.234 0.582 18834 7241 1 15 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.076 -0.004 18834 7242 1 15 . 1 1 8 8 PHE C C 8 171.149 171.149 173.437 -2.288 18834 7243 1 15 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.562 -0.033 18834 7244 1 15 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.365 -0.053 18834 7245 1 15 . 1 1 8 8 PHE H H 8 9.476 9.476 8.541 0.935 18834 7246 1 15 . 1 1 9 9 GLU N N 9 118.961 118.961 120.441 -1.480 18834 7247 1 15 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.489 0.724 18834 7248 1 15 . 1 1 9 9 GLU C C 9 175.995 175.995 175.856 0.139 18834 7249 1 15 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.167 -1.178 18834 7250 1 15 . 1 1 9 9 GLU CB C 9 33.428 33.428 32.185 1.243 18834 7251 1 15 . 1 1 9 9 GLU H H 9 8.490 8.490 8.508 -0.018 18834 7252 1 15 . 1 1 10 10 VAL N N 10 119.964 119.964 117.974 1.990 18834 7253 1 15 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.624 -0.487 18834 7254 1 15 . 1 1 10 10 VAL C C 10 173.221 173.221 173.994 -0.773 18834 7255 1 15 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.905 1.186 18834 7256 1 15 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.855 0.911 18834 7257 1 15 . 1 1 10 10 VAL H H 10 8.577 8.577 8.127 0.450 18834 7258 1 15 . 1 1 11 11 GLU N N 11 126.219 126.219 121.963 4.256 18834 7259 1 15 . 1 1 11 11 GLU HA H 11 4.955 4.955 4.907 0.048 18834 7260 1 15 . 1 1 11 11 GLU C C 11 174.538 174.538 175.453 -0.915 18834 7261 1 15 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.696 0.166 18834 7262 1 15 . 1 1 11 11 GLU CB C 11 30.836 30.836 30.796 0.041 18834 7263 1 15 . 1 1 11 11 GLU H H 11 7.794 7.794 8.344 -0.550 18834 7264 1 15 . 1 1 12 12 LEU N N 12 126.212 126.212 125.044 1.168 18834 7265 1 15 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.606 0.040 18834 7266 1 15 . 1 1 12 12 LEU C C 12 173.916 173.916 175.200 -1.284 18834 7267 1 15 . 1 1 12 12 LEU CA C 12 53.137 53.137 54.078 -0.941 18834 7268 1 15 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.642 -0.516 18834 7269 1 15 . 1 1 12 12 LEU H H 12 8.848 8.848 8.959 -0.111 18834 7270 1 15 . 1 1 13 13 ALA N N 13 126.357 126.357 125.185 1.172 18834 7271 1 15 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.374 0.721 18834 7272 1 15 . 1 1 13 13 ALA C C 13 177.352 177.352 176.918 0.434 18834 7273 1 15 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.935 -2.015 18834 7274 1 15 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.585 -0.208 18834 7275 1 15 . 1 1 13 13 ALA H H 13 8.494 8.494 8.497 -0.003 18834 7276 1 15 . 1 1 14 14 LYS N N 14 120.000 120.000 121.430 -1.430 18834 7277 1 15 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.080 -0.328 18834 7278 1 15 . 1 1 14 14 LYS C C 14 176.313 176.313 176.039 0.274 18834 7279 1 15 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.501 0.261 18834 7280 1 15 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.118 1.351 18834 7281 1 15 . 1 1 14 14 LYS H H 14 8.496 8.496 8.100 0.396 18834 7282 1 15 . 1 1 15 15 ASN N N 15 117.473 117.473 116.893 0.580 18834 7283 1 15 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.427 0.490 18834 7284 1 15 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.681 -1.194 18834 7285 1 15 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.438 2.246 18834 7286 1 15 . 1 1 15 15 ASN H H 15 8.079 8.079 8.276 -0.197 18834 7287 1 15 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.276 -0.017 18834 7288 1 15 . 1 1 16 16 ASP C C 16 175.515 175.515 175.689 -0.174 18834 7289 1 15 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.176 0.344 18834 7290 1 15 . 1 1 16 16 ASP CB C 16 39.303 39.303 39.521 -0.218 18834 7291 1 15 . 1 1 17 17 ASN N N 17 110.160 110.160 113.470 -3.310 18834 7292 1 15 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.313 -0.081 18834 7293 1 15 . 1 1 17 17 ASN C C 17 174.550 174.550 173.817 0.733 18834 7294 1 15 . 1 1 17 17 ASN CA C 17 54.349 54.349 54.996 -0.647 18834 7295 1 15 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.723 -0.268 18834 7296 1 15 . 1 1 17 17 ASN H H 17 8.959 8.959 8.761 0.198 18834 7297 1 15 . 1 1 18 18 SER N N 18 112.013 112.013 114.571 -2.558 18834 7298 1 15 . 1 1 18 18 SER HA H 18 4.976 4.976 4.700 0.276 18834 7299 1 15 . 1 1 18 18 SER CA C 18 56.519 56.519 57.162 -0.643 18834 7300 1 15 . 1 1 18 18 SER CB C 18 65.053 65.053 64.108 0.945 18834 7301 1 15 . 1 1 18 18 SER H H 18 7.892 7.892 7.510 0.382 18834 7302 1 15 . 1 1 19 19 LEU HA H 19 4.256 4.256 5.005 -0.749 18834 7303 1 15 . 1 1 19 19 LEU C C 19 176.996 176.996 175.488 1.508 18834 7304 1 15 . 1 1 19 19 LEU CA C 19 55.945 55.945 53.886 2.059 18834 7305 1 15 . 1 1 19 19 LEU CB C 19 43.178 43.178 43.856 -0.678 18834 7306 1 15 . 1 1 20 20 GLY N N 20 105.651 105.651 107.603 -1.952 18834 7307 1 15 . 1 1 20 20 GLY C C 20 176.218 176.218 173.187 3.031 18834 7308 1 15 . 1 1 20 20 GLY CA C 20 46.868 46.868 45.220 1.648 18834 7309 1 15 . 1 1 20 20 GLY H H 20 8.804 8.804 8.446 0.358 18834 7310 1 15 . 1 1 21 21 ILE N N 21 115.348 115.348 123.229 -7.881 18834 7311 1 15 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.968 -0.126 18834 7312 1 15 . 1 1 21 21 ILE C C 21 175.987 175.987 175.218 0.769 18834 7313 1 15 . 1 1 21 21 ILE CA C 21 59.795 59.795 57.776 2.019 18834 7314 1 15 . 1 1 21 21 ILE CB C 21 42.334 42.334 40.657 1.677 18834 7315 1 15 . 1 1 21 21 ILE H H 21 7.775 7.775 8.024 -0.249 18834 7316 1 15 . 1 1 22 22 CYS N N 22 123.503 123.503 120.533 2.970 18834 7317 1 15 . 1 1 22 22 CYS C C 22 176.187 176.187 172.992 3.195 18834 7318 1 15 . 1 1 22 22 CYS CA C 22 53.779 53.779 57.503 -3.724 18834 7319 1 15 . 1 1 22 22 CYS CB C 22 36.527 36.527 29.487 7.040 18834 7320 1 15 . 1 1 22 22 CYS H H 22 8.533 8.533 8.456 0.077 18834 7321 1 15 . 1 1 23 23 VAL N N 23 114.882 114.882 118.563 -3.681 18834 7322 1 15 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.113 0.335 18834 7323 1 15 . 1 1 23 23 VAL C C 23 174.219 174.219 173.856 0.363 18834 7324 1 15 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.430 -1.008 18834 7325 1 15 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.337 -0.243 18834 7326 1 15 . 1 1 23 23 VAL H H 23 7.720 7.720 8.302 -0.582 18834 7327 1 15 . 1 1 24 24 THR N N 24 115.462 115.462 113.849 1.613 18834 7328 1 15 . 1 1 24 24 THR HA H 24 4.691 4.691 4.366 0.325 18834 7329 1 15 . 1 1 24 24 THR C C 24 171.649 171.649 171.989 -0.340 18834 7330 1 15 . 1 1 24 24 THR CA C 24 59.560 59.560 60.580 -1.020 18834 7331 1 15 . 1 1 24 24 THR CB C 24 70.573 70.573 69.634 0.939 18834 7332 1 15 . 1 1 24 24 THR H H 24 9.175 9.175 8.143 1.032 18834 7333 1 15 . 1 1 25 25 GLY N N 25 111.734 111.734 109.635 2.099 18834 7334 1 15 . 1 1 25 25 GLY C C 25 174.216 174.216 173.110 1.106 18834 7335 1 15 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.514 0.150 18834 7336 1 15 . 1 1 25 25 GLY H H 25 8.323 8.323 8.204 0.119 18834 7337 1 15 . 1 1 26 26 GLY N N 26 107.524 107.524 107.615 -0.091 18834 7338 1 15 . 1 1 26 26 GLY C C 26 176.306 176.306 175.239 1.067 18834 7339 1 15 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.443 -1.673 18834 7340 1 15 . 1 1 26 26 GLY H H 26 7.541 7.541 7.865 -0.324 18834 7341 1 15 . 1 1 27 27 VAL N N 27 116.903 116.903 124.077 -7.174 18834 7342 1 15 . 1 1 27 27 VAL HA H 27 4.128 4.128 3.848 0.280 18834 7343 1 15 . 1 1 27 27 VAL C C 27 175.716 175.716 176.288 -0.572 18834 7344 1 15 . 1 1 27 27 VAL CA C 27 63.894 63.894 63.354 0.540 18834 7345 1 15 . 1 1 27 27 VAL CB C 27 31.963 31.963 30.197 1.766 18834 7346 1 15 . 1 1 27 27 VAL H H 27 8.055 8.055 8.455 -0.400 18834 7347 1 15 . 1 1 28 28 ASN N N 28 117.840 117.840 111.421 6.419 18834 7348 1 15 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.512 0.291 18834 7349 1 15 . 1 1 28 28 ASN C C 28 174.846 174.846 175.410 -0.564 18834 7350 1 15 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.139 -0.659 18834 7351 1 15 . 1 1 28 28 ASN CB C 28 37.754 37.754 36.659 1.095 18834 7352 1 15 . 1 1 28 28 ASN H H 28 8.779 8.779 8.768 0.011 18834 7353 1 15 . 1 1 29 29 THR N N 29 111.408 111.408 111.047 0.361 18834 7354 1 15 . 1 1 29 29 THR HA H 29 4.690 4.690 4.161 0.529 18834 7355 1 15 . 1 1 29 29 THR CA C 29 61.624 61.624 62.304 -0.680 18834 7356 1 15 . 1 1 29 29 THR CB C 29 70.939 70.939 69.077 1.862 18834 7357 1 15 . 1 1 29 29 THR H H 29 7.857 7.857 7.655 0.202 18834 7358 1 15 . 1 1 30 30 SER N N 30 113.816 113.816 114.485 -0.669 18834 7359 1 15 . 1 1 30 30 SER HA H 30 4.537 4.537 4.215 0.322 18834 7360 1 15 . 1 1 30 30 SER C C 30 174.867 174.867 175.085 -0.218 18834 7361 1 15 . 1 1 30 30 SER CA C 30 58.369 58.369 60.270 -1.901 18834 7362 1 15 . 1 1 30 30 SER CB C 30 63.547 63.547 62.989 0.558 18834 7363 1 15 . 1 1 30 30 SER H H 30 8.438 8.438 8.575 -0.137 18834 7364 1 15 . 1 1 31 31 VAL N N 31 118.013 118.013 115.443 2.570 18834 7365 1 15 . 1 1 31 31 VAL HA H 31 4.098 4.098 4.230 -0.132 18834 7366 1 15 . 1 1 31 31 VAL C C 31 176.528 176.528 176.248 0.280 18834 7367 1 15 . 1 1 31 31 VAL CA C 31 62.070 62.070 61.758 0.312 18834 7368 1 15 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.731 -0.224 18834 7369 1 15 . 1 1 31 31 VAL H H 31 7.567 7.567 7.625 -0.058 18834 7370 1 15 . 1 1 32 32 ARG N N 32 124.719 124.719 126.229 -1.510 18834 7371 1 15 . 1 1 32 32 ARG HA H 32 4.007 4.007 4.200 -0.193 18834 7372 1 15 . 1 1 32 32 ARG CA C 32 58.009 58.009 57.945 0.064 18834 7373 1 15 . 1 1 32 32 ARG CB C 32 29.571 29.571 29.452 0.119 18834 7374 1 15 . 1 1 32 32 ARG H H 32 8.501 8.501 8.709 -0.208 18834 7375 1 15 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.507 0.070 18834 7376 1 15 . 1 1 33 33 HIS C C 33 175.064 175.064 175.256 -0.192 18834 7377 1 15 . 1 1 33 33 HIS CA C 33 56.814 56.814 55.282 1.532 18834 7378 1 15 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.435 -1.344 18834 7379 1 15 . 1 1 34 34 GLY N N 34 109.357 109.357 108.375 0.982 18834 7380 1 15 . 1 1 34 34 GLY C C 34 174.616 174.616 172.848 1.768 18834 7381 1 15 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.644 0.950 18834 7382 1 15 . 1 1 34 34 GLY H H 34 8.469 8.469 7.571 0.898 18834 7383 1 15 . 1 1 35 35 GLY N N 35 104.989 104.989 106.588 -1.599 18834 7384 1 15 . 1 1 35 35 GLY C C 35 170.518 170.518 172.533 -2.015 18834 7385 1 15 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.494 1.147 18834 7386 1 15 . 1 1 35 35 GLY H H 35 7.787 7.787 7.775 0.012 18834 7387 1 15 . 1 1 36 36 ILE N N 36 119.808 119.808 120.313 -0.505 18834 7388 1 15 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.971 -0.225 18834 7389 1 15 . 1 1 36 36 ILE C C 36 174.616 174.616 174.960 -0.344 18834 7390 1 15 . 1 1 36 36 ILE CA C 36 56.955 56.955 58.946 -1.990 18834 7391 1 15 . 1 1 36 36 ILE CB C 36 35.618 35.618 40.802 -5.184 18834 7392 1 15 . 1 1 36 36 ILE H H 36 8.362 8.362 8.253 0.109 18834 7393 1 15 . 1 1 37 37 TYR N N 37 123.168 123.168 123.734 -0.566 18834 7394 1 15 . 1 1 37 37 TYR HA H 37 5.268 5.268 5.331 -0.063 18834 7395 1 15 . 1 1 37 37 TYR C C 37 176.069 176.069 174.831 1.238 18834 7396 1 15 . 1 1 37 37 TYR CA C 37 55.959 55.959 53.892 2.067 18834 7397 1 15 . 1 1 37 37 TYR CB C 37 42.436 42.436 40.267 2.170 18834 7398 1 15 . 1 1 37 37 TYR H H 37 8.904 8.904 8.709 0.195 18834 7399 1 15 . 1 1 38 38 VAL N N 38 120.273 120.273 120.785 -0.512 18834 7400 1 15 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.306 -0.507 18834 7401 1 15 . 1 1 38 38 VAL C C 38 175.886 175.886 176.661 -0.775 18834 7402 1 15 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.348 1.736 18834 7403 1 15 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.860 0.584 18834 7404 1 15 . 1 1 38 38 VAL H H 38 9.230 9.230 8.872 0.358 18834 7405 1 15 . 1 1 39 39 LYS N N 39 133.619 133.619 129.218 4.401 18834 7406 1 15 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.170 0.219 18834 7407 1 15 . 1 1 39 39 LYS C C 39 174.763 174.763 175.547 -0.784 18834 7408 1 15 . 1 1 39 39 LYS CA C 39 56.536 56.536 58.299 -1.763 18834 7409 1 15 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.148 1.391 18834 7410 1 15 . 1 1 39 39 LYS H H 39 9.584 9.584 8.264 1.320 18834 7411 1 15 . 1 1 40 40 ALA N N 40 117.459 117.459 117.910 -0.451 18834 7412 1 15 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.592 -0.088 18834 7413 1 15 . 1 1 40 40 ALA C C 40 174.686 174.686 174.517 0.169 18834 7414 1 15 . 1 1 40 40 ALA CA C 40 51.897 51.897 52.084 -0.187 18834 7415 1 15 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.388 0.857 18834 7416 1 15 . 1 1 40 40 ALA H H 40 7.584 7.584 7.214 0.370 18834 7417 1 15 . 1 1 41 41 VAL N N 41 120.599 120.599 120.717 -0.118 18834 7418 1 15 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.435 -0.056 18834 7419 1 15 . 1 1 41 41 VAL C C 41 175.714 175.714 176.011 -0.297 18834 7420 1 15 . 1 1 41 41 VAL CA C 41 61.149 61.149 60.879 0.270 18834 7421 1 15 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.081 -1.575 18834 7422 1 15 . 1 1 41 41 VAL H H 41 8.747 8.747 8.438 0.309 18834 7423 1 15 . 1 1 42 42 ILE N N 42 127.775 127.775 123.931 3.844 18834 7424 1 15 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.502 -0.375 18834 7425 1 15 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.424 1.402 18834 7426 1 15 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.027 1.189 18834 7427 1 15 . 1 1 42 42 ILE H H 42 7.827 7.827 8.322 -0.495 18834 7428 1 15 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.518 -0.043 18834 7429 1 15 . 1 1 43 43 PRO C C 43 177.234 177.234 176.438 0.796 18834 7430 1 15 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.651 1.526 18834 7431 1 15 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.644 -0.843 18834 7432 1 15 . 1 1 44 44 GLN N N 44 116.932 116.932 113.822 3.110 18834 7433 1 15 . 1 1 44 44 GLN HA H 44 3.848 3.848 4.018 -0.170 18834 7434 1 15 . 1 1 44 44 GLN C C 44 175.628 175.628 175.573 0.055 18834 7435 1 15 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.106 1.035 18834 7436 1 15 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.644 -1.203 18834 7437 1 15 . 1 1 44 44 GLN H H 44 9.388 9.388 8.728 0.660 18834 7438 1 15 . 1 1 45 45 GLY N N 45 106.131 106.131 104.620 1.511 18834 7439 1 15 . 1 1 45 45 GLY C C 45 174.404 174.404 174.049 0.355 18834 7440 1 15 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.331 1.327 18834 7441 1 15 . 1 1 45 45 GLY H H 45 7.875 7.875 7.321 0.554 18834 7442 1 15 . 1 1 46 46 ALA N N 46 121.011 121.011 123.059 -2.048 18834 7443 1 15 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.000 0.051 18834 7444 1 15 . 1 1 46 46 ALA C C 46 180.673 180.673 179.004 1.669 18834 7445 1 15 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.088 -0.043 18834 7446 1 15 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.418 0.090 18834 7447 1 15 . 1 1 46 46 ALA H H 46 9.017 9.017 8.813 0.204 18834 7448 1 15 . 1 1 47 47 ALA N N 47 118.848 118.848 121.774 -2.926 18834 7449 1 15 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.940 0.128 18834 7450 1 15 . 1 1 47 47 ALA C C 47 180.699 180.699 179.741 0.958 18834 7451 1 15 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.215 -0.298 18834 7452 1 15 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.883 0.747 18834 7453 1 15 . 1 1 47 47 ALA H H 47 7.754 7.754 8.288 -0.534 18834 7454 1 15 . 1 1 48 48 GLU N N 48 124.400 124.400 119.397 5.003 18834 7455 1 15 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.030 -0.207 18834 7456 1 15 . 1 1 48 48 GLU C C 48 178.174 178.174 178.687 -0.513 18834 7457 1 15 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.677 1.232 18834 7458 1 15 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.134 0.625 18834 7459 1 15 . 1 1 48 48 GLU H H 48 9.317 9.317 8.473 0.844 18834 7460 1 15 . 1 1 49 49 SER N N 49 113.388 113.388 113.634 -0.246 18834 7461 1 15 . 1 1 49 49 SER HA H 49 4.100 4.100 4.174 -0.074 18834 7462 1 15 . 1 1 49 49 SER C C 49 175.693 175.693 176.947 -1.254 18834 7463 1 15 . 1 1 49 49 SER CA C 49 61.233 61.233 60.631 0.602 18834 7464 1 15 . 1 1 49 49 SER CB C 49 62.780 62.780 63.222 -0.442 18834 7465 1 15 . 1 1 49 49 SER H H 49 8.115 8.115 8.224 -0.109 18834 7466 1 15 . 1 1 50 50 ASP N N 50 120.047 120.047 119.588 0.459 18834 7467 1 15 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.544 -0.166 18834 7468 1 15 . 1 1 50 50 ASP C C 50 177.650 177.650 177.246 0.404 18834 7469 1 15 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.882 2.332 18834 7470 1 15 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.885 2.356 18834 7471 1 15 . 1 1 50 50 ASP H H 50 7.609 7.609 8.156 -0.547 18834 7472 1 15 . 1 1 51 51 GLY N N 51 102.979 102.979 107.263 -4.284 18834 7473 1 15 . 1 1 51 51 GLY C C 51 174.977 174.977 174.897 0.080 18834 7474 1 15 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.750 0.602 18834 7475 1 15 . 1 1 51 51 GLY H H 51 7.372 7.372 8.093 -0.721 18834 7476 1 15 . 1 1 52 52 ARG N N 52 117.579 117.579 118.272 -0.693 18834 7477 1 15 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.392 -0.078 18834 7478 1 15 . 1 1 52 52 ARG C C 52 175.886 175.886 175.050 0.836 18834 7479 1 15 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.652 2.242 18834 7480 1 15 . 1 1 52 52 ARG CB C 52 33.246 33.246 31.053 2.193 18834 7481 1 15 . 1 1 52 52 ARG H H 52 7.966 7.966 7.727 0.239 18834 7482 1 15 . 1 1 53 53 ILE N N 53 120.155 120.155 119.309 0.846 18834 7483 1 15 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.273 -0.037 18834 7484 1 15 . 1 1 53 53 ILE C C 53 173.773 173.773 174.023 -0.250 18834 7485 1 15 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.632 0.773 18834 7486 1 15 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.295 -1.655 18834 7487 1 15 . 1 1 53 53 ILE H H 53 8.225 8.225 7.593 0.632 18834 7488 1 15 . 1 1 54 54 HIS N N 54 123.751 123.751 123.705 0.046 18834 7489 1 15 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.919 -0.129 18834 7490 1 15 . 1 1 54 54 HIS C C 54 173.696 173.696 174.766 -1.070 18834 7491 1 15 . 1 1 54 54 HIS CA C 54 54.844 54.844 53.840 1.004 18834 7492 1 15 . 1 1 54 54 HIS CB C 54 33.566 33.566 34.241 -0.675 18834 7493 1 15 . 1 1 54 54 HIS H H 54 9.061 9.061 8.316 0.745 18834 7494 1 15 . 1 1 55 55 LYS N N 55 120.590 120.590 120.854 -0.264 18834 7495 1 15 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.304 -0.678 18834 7496 1 15 . 1 1 55 55 LYS C C 55 176.916 176.916 177.407 -0.491 18834 7497 1 15 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.568 0.736 18834 7498 1 15 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.766 -0.345 18834 7499 1 15 . 1 1 55 55 LYS H H 55 8.670 8.670 8.507 0.163 18834 7500 1 15 . 1 1 56 56 GLY N N 56 114.645 114.645 111.917 2.728 18834 7501 1 15 . 1 1 56 56 GLY C C 56 174.438 174.438 175.113 -0.675 18834 7502 1 15 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.903 -0.141 18834 7503 1 15 . 1 1 56 56 GLY H H 56 9.201 9.201 8.910 0.291 18834 7504 1 15 . 1 1 57 57 ASP N N 57 121.982 121.982 124.762 -2.780 18834 7505 1 15 . 1 1 57 57 ASP HA H 57 4.887 4.887 5.010 -0.123 18834 7506 1 15 . 1 1 57 57 ASP C C 57 174.623 174.623 175.323 -0.700 18834 7507 1 15 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.467 0.369 18834 7508 1 15 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.470 -0.387 18834 7509 1 15 . 1 1 57 57 ASP H H 57 8.058 8.058 7.683 0.375 18834 7510 1 15 . 1 1 58 58 ARG N N 58 123.240 123.240 117.313 5.927 18834 7511 1 15 . 1 1 58 58 ARG HA H 58 4.615 4.615 5.204 -0.589 18834 7512 1 15 . 1 1 58 58 ARG C C 58 175.573 175.573 175.110 0.463 18834 7513 1 15 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.331 0.190 18834 7514 1 15 . 1 1 58 58 ARG CB C 58 33.701 33.701 34.139 -0.438 18834 7515 1 15 . 1 1 58 58 ARG H H 58 9.078 9.078 8.799 0.279 18834 7516 1 15 . 1 1 59 59 VAL N N 59 126.202 126.202 119.706 6.496 18834 7517 1 15 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.436 -0.573 18834 7518 1 15 . 1 1 59 59 VAL C C 59 174.458 174.458 175.729 -1.271 18834 7519 1 15 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.331 -0.128 18834 7520 1 15 . 1 1 59 59 VAL CB C 59 30.998 30.998 32.282 -1.284 18834 7521 1 15 . 1 1 59 59 VAL H H 59 8.897 8.897 8.831 0.066 18834 7522 1 15 . 1 1 60 60 LEU N N 60 127.163 127.163 127.356 -0.193 18834 7523 1 15 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.309 -0.013 18834 7524 1 15 . 1 1 60 60 LEU C C 60 178.289 178.289 176.376 1.913 18834 7525 1 15 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.007 0.048 18834 7526 1 15 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.998 -0.386 18834 7527 1 15 . 1 1 60 60 LEU H H 60 9.213 9.213 8.691 0.522 18834 7528 1 15 . 1 1 61 61 ALA N N 61 118.886 118.886 117.409 1.477 18834 7529 1 15 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.053 -0.099 18834 7530 1 15 . 1 1 61 61 ALA C C 61 175.288 175.288 175.236 0.052 18834 7531 1 15 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.530 1.749 18834 7532 1 15 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.342 -0.246 18834 7533 1 15 . 1 1 61 61 ALA H H 61 7.741 7.741 7.345 0.396 18834 7534 1 15 . 1 1 62 62 VAL N N 62 119.929 119.929 119.941 -0.012 18834 7535 1 15 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.304 0.146 18834 7536 1 15 . 1 1 62 62 VAL C C 62 175.323 175.323 176.052 -0.729 18834 7537 1 15 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.932 -0.514 18834 7538 1 15 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.633 0.417 18834 7539 1 15 . 1 1 62 62 VAL H H 62 8.256 8.256 8.688 -0.432 18834 7540 1 15 . 1 1 63 63 ASN N N 63 128.933 128.933 127.318 1.615 18834 7541 1 15 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.422 0.123 18834 7542 1 15 . 1 1 63 63 ASN C C 63 175.197 175.197 175.196 0.001 18834 7543 1 15 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.420 -0.252 18834 7544 1 15 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.998 -1.102 18834 7545 1 15 . 1 1 63 63 ASN H H 63 10.392 10.392 9.419 0.973 18834 7546 1 15 . 1 1 64 64 GLY N N 64 103.413 103.413 102.515 0.898 18834 7547 1 15 . 1 1 64 64 GLY C C 64 173.872 173.872 174.402 -0.530 18834 7548 1 15 . 1 1 64 64 GLY CA C 64 45.171 45.171 44.974 0.197 18834 7549 1 15 . 1 1 64 64 GLY H H 64 9.085 9.085 8.430 0.655 18834 7550 1 15 . 1 1 65 65 VAL N N 65 123.643 123.643 124.144 -0.501 18834 7551 1 15 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.020 -0.072 18834 7552 1 15 . 1 1 65 65 VAL C C 65 175.645 175.645 175.598 0.047 18834 7553 1 15 . 1 1 65 65 VAL CA C 65 62.136 62.136 62.154 -0.018 18834 7554 1 15 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.724 -0.084 18834 7555 1 15 . 1 1 65 65 VAL H H 65 8.028 8.028 7.895 0.133 18834 7556 1 15 . 1 1 66 66 SER N N 66 120.923 120.923 123.400 -2.477 18834 7557 1 15 . 1 1 66 66 SER HA H 66 4.334 4.334 4.197 0.137 18834 7558 1 15 . 1 1 66 66 SER C C 66 176.388 176.388 174.282 2.106 18834 7559 1 15 . 1 1 66 66 SER CA C 66 58.342 58.342 59.433 -1.091 18834 7560 1 15 . 1 1 66 66 SER CB C 66 63.562 63.562 63.521 0.041 18834 7561 1 15 . 1 1 66 66 SER H H 66 8.647 8.647 8.656 -0.009 18834 7562 1 15 . 1 1 67 67 LEU N N 67 125.116 125.116 127.411 -2.295 18834 7563 1 15 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.663 -0.225 18834 7564 1 15 . 1 1 67 67 LEU C C 67 176.462 176.462 176.181 0.281 18834 7565 1 15 . 1 1 67 67 LEU CA C 67 53.732 53.732 53.978 -0.246 18834 7566 1 15 . 1 1 67 67 LEU CB C 67 40.890 40.890 43.031 -2.141 18834 7567 1 15 . 1 1 67 67 LEU H H 67 8.292 8.292 8.984 -0.692 18834 7568 1 15 . 1 1 68 68 GLU N N 68 123.552 123.552 120.113 3.439 18834 7569 1 15 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.140 -0.105 18834 7570 1 15 . 1 1 68 68 GLU C C 68 177.767 177.767 177.428 0.339 18834 7571 1 15 . 1 1 68 68 GLU CA C 68 58.571 58.571 58.059 0.511 18834 7572 1 15 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.167 -0.115 18834 7573 1 15 . 1 1 68 68 GLU H H 68 8.305 8.305 7.520 0.785 18834 7574 1 15 . 1 1 69 69 GLY N N 69 115.496 115.496 113.302 2.194 18834 7575 1 15 . 1 1 69 69 GLY C C 69 173.618 173.618 174.347 -0.729 18834 7576 1 15 . 1 1 69 69 GLY CA C 69 45.396 45.396 45.011 0.385 18834 7577 1 15 . 1 1 69 69 GLY H H 69 8.977 8.977 8.900 0.077 18834 7578 1 15 . 1 1 70 70 ALA N N 70 121.999 121.999 123.933 -1.934 18834 7579 1 15 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.513 -0.011 18834 7580 1 15 . 1 1 70 70 ALA C C 70 179.820 179.820 176.276 3.544 18834 7581 1 15 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.828 0.587 18834 7582 1 15 . 1 1 70 70 ALA CB C 70 19.638 19.638 19.625 0.014 18834 7583 1 15 . 1 1 70 70 ALA H H 70 7.807 7.807 7.977 -0.170 18834 7584 1 15 . 1 1 71 71 THR N N 71 111.294 111.294 112.254 -0.960 18834 7585 1 15 . 1 1 71 71 THR HA H 71 4.515 4.515 4.386 0.129 18834 7586 1 15 . 1 1 71 71 THR C C 71 174.717 174.717 175.886 -1.169 18834 7587 1 15 . 1 1 71 71 THR CA C 71 60.692 60.692 61.102 -0.410 18834 7588 1 15 . 1 1 71 71 THR CB C 71 71.274 71.274 70.462 0.812 18834 7589 1 15 . 1 1 71 71 THR H H 71 8.222 8.222 8.010 0.212 18834 7590 1 15 . 1 1 72 72 HIS N N 72 121.871 121.871 119.048 2.823 18834 7591 1 15 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.198 -0.338 18834 7592 1 15 . 1 1 72 72 HIS C C 72 176.702 176.702 177.508 -0.806 18834 7593 1 15 . 1 1 72 72 HIS CA C 72 61.983 61.983 59.674 2.309 18834 7594 1 15 . 1 1 72 72 HIS CB C 72 30.047 30.047 29.073 0.974 18834 7595 1 15 . 1 1 72 72 HIS H H 72 9.217 9.217 8.677 0.540 18834 7596 1 15 . 1 1 73 73 LYS N N 73 116.941 116.941 119.539 -2.598 18834 7597 1 15 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.826 -0.002 18834 7598 1 15 . 1 1 73 73 LYS C C 73 178.288 178.288 178.988 -0.700 18834 7599 1 15 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.512 -0.162 18834 7600 1 15 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.962 0.849 18834 7601 1 15 . 1 1 73 73 LYS H H 73 8.429 8.429 7.651 0.778 18834 7602 1 15 . 1 1 74 74 GLN N N 74 116.915 116.915 117.543 -0.628 18834 7603 1 15 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.980 -0.111 18834 7604 1 15 . 1 1 74 74 GLN C C 74 179.732 179.732 178.621 1.111 18834 7605 1 15 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.537 0.062 18834 7606 1 15 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.275 0.076 18834 7607 1 15 . 1 1 74 74 GLN H H 74 7.660 7.660 7.664 -0.004 18834 7608 1 15 . 1 1 75 75 ALA N N 75 122.673 122.673 122.848 -0.175 18834 7609 1 15 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.969 -0.181 18834 7610 1 15 . 1 1 75 75 ALA C C 75 179.078 179.078 179.766 -0.688 18834 7611 1 15 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.242 0.324 18834 7612 1 15 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.362 0.489 18834 7613 1 15 . 1 1 75 75 ALA H H 75 8.379 8.379 8.470 -0.091 18834 7614 1 15 . 1 1 76 76 VAL N N 76 112.831 112.831 117.696 -4.865 18834 7615 1 15 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.729 -0.224 18834 7616 1 15 . 1 1 76 76 VAL CA C 76 65.895 65.895 66.549 -0.654 18834 7617 1 15 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.525 -0.834 18834 7618 1 15 . 1 1 76 76 VAL H H 76 8.239 8.239 7.742 0.497 18834 7619 1 15 . 1 1 77 77 CYS C C 77 177.150 177.150 176.896 0.254 18834 7620 1 15 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.312 -2.921 18834 7621 1 15 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.601 10.181 18834 7622 1 15 . 1 1 78 78 THR N N 78 117.507 117.507 115.812 1.695 18834 7623 1 15 . 1 1 78 78 THR HA H 78 3.858 3.858 3.956 -0.098 18834 7624 1 15 . 1 1 78 78 THR C C 78 176.460 176.460 175.910 0.550 18834 7625 1 15 . 1 1 78 78 THR CA C 78 67.123 67.123 66.167 0.956 18834 7626 1 15 . 1 1 78 78 THR CB C 78 68.123 68.123 68.704 -0.581 18834 7627 1 15 . 1 1 78 78 THR H H 78 8.015 8.015 8.225 -0.210 18834 7628 1 15 . 1 1 79 79 LEU N N 79 119.666 119.666 119.680 -0.014 18834 7629 1 15 . 1 1 79 79 LEU HA H 79 3.750 3.750 4.026 -0.276 18834 7630 1 15 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.062 1.128 18834 7631 1 15 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.930 0.142 18834 7632 1 15 . 1 1 79 79 LEU H H 79 7.984 7.984 7.296 0.688 18834 7633 1 15 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.156 0.041 18834 7634 1 15 . 1 1 80 80 ARG C C 80 177.750 177.750 178.652 -0.902 18834 7635 1 15 . 1 1 80 80 ARG CA C 80 58.307 58.307 57.072 1.236 18834 7636 1 15 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.264 -0.172 18834 7637 1 15 . 1 1 81 81 ASN N N 81 119.843 119.843 118.700 1.143 18834 7638 1 15 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.639 0.345 18834 7639 1 15 . 1 1 81 81 ASN C C 81 174.819 174.819 174.852 -0.033 18834 7640 1 15 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.685 -0.572 18834 7641 1 15 . 1 1 81 81 ASN CB C 81 37.668 37.668 36.668 1.000 18834 7642 1 15 . 1 1 81 81 ASN H H 81 7.648 7.648 7.960 -0.312 18834 7643 1 15 . 1 1 82 82 THR N N 82 109.907 109.907 110.454 -0.547 18834 7644 1 15 . 1 1 82 82 THR HA H 82 4.447 4.447 4.712 -0.265 18834 7645 1 15 . 1 1 82 82 THR C C 82 175.114 175.114 174.355 0.759 18834 7646 1 15 . 1 1 82 82 THR CA C 82 59.944 59.944 59.990 -0.046 18834 7647 1 15 . 1 1 82 82 THR CB C 82 72.611 72.611 71.657 0.954 18834 7648 1 15 . 1 1 82 82 THR H H 82 7.668 7.668 7.803 -0.135 18834 7649 1 15 . 1 1 83 83 GLY N N 83 109.505 109.505 106.499 3.006 18834 7650 1 15 . 1 1 83 83 GLY C C 83 173.467 173.467 175.152 -1.685 18834 7651 1 15 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.161 -0.069 18834 7652 1 15 . 1 1 83 83 GLY H H 83 8.421 8.421 8.507 -0.086 18834 7653 1 15 . 1 1 84 84 GLN N N 84 117.276 117.276 119.326 -2.050 18834 7654 1 15 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.073 -0.110 18834 7655 1 15 . 1 1 84 84 GLN C C 84 175.254 175.254 176.206 -0.952 18834 7656 1 15 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.675 -0.232 18834 7657 1 15 . 1 1 84 84 GLN CB C 84 28.973 28.973 28.977 -0.004 18834 7658 1 15 . 1 1 84 84 GLN H H 84 8.224 8.224 8.604 -0.380 18834 7659 1 15 . 1 1 85 85 VAL N N 85 116.186 116.186 115.856 0.330 18834 7660 1 15 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.225 0.429 18834 7661 1 15 . 1 1 85 85 VAL C C 85 175.879 175.879 174.946 0.933 18834 7662 1 15 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.654 -0.356 18834 7663 1 15 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.172 -0.042 18834 7664 1 15 . 1 1 85 85 VAL H H 85 7.699 7.699 7.682 0.017 18834 7665 1 15 . 1 1 86 86 VAL N N 86 128.499 128.499 124.220 4.279 18834 7666 1 15 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.416 0.031 18834 7667 1 15 . 1 1 86 86 VAL C C 86 173.365 173.365 174.323 -0.958 18834 7668 1 15 . 1 1 86 86 VAL CA C 86 60.965 60.965 60.723 0.242 18834 7669 1 15 . 1 1 86 86 VAL CB C 86 34.987 34.987 34.049 0.938 18834 7670 1 15 . 1 1 86 86 VAL H H 86 9.043 9.043 9.058 -0.015 18834 7671 1 15 . 1 1 87 87 HIS N N 87 126.357 126.357 124.474 1.883 18834 7672 1 15 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.718 -0.722 18834 7673 1 15 . 1 1 87 87 HIS C C 87 174.387 174.387 174.738 -0.351 18834 7674 1 15 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.646 1.156 18834 7675 1 15 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.659 -0.480 18834 7676 1 15 . 1 1 87 87 HIS H H 87 8.855 8.855 8.851 0.004 18834 7677 1 15 . 1 1 88 88 LEU N N 88 126.780 126.780 119.015 7.765 18834 7678 1 15 . 1 1 88 88 LEU HA H 88 4.960 4.960 5.016 -0.056 18834 7679 1 15 . 1 1 88 88 LEU C C 88 173.365 173.365 174.291 -0.926 18834 7680 1 15 . 1 1 88 88 LEU CA C 88 53.494 53.494 54.086 -0.591 18834 7681 1 15 . 1 1 88 88 LEU CB C 88 45.187 45.187 45.209 -0.022 18834 7682 1 15 . 1 1 88 88 LEU H H 88 9.016 9.016 8.328 0.688 18834 7683 1 15 . 1 1 89 89 LEU N N 89 124.435 124.435 122.722 1.713 18834 7684 1 15 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.726 -0.005 18834 7685 1 15 . 1 1 89 89 LEU C C 89 175.213 175.213 176.407 -1.194 18834 7686 1 15 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.457 -0.796 18834 7687 1 15 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.334 3.057 18834 7688 1 15 . 1 1 89 89 LEU H H 89 7.965 7.965 8.016 -0.051 18834 7689 1 15 . 1 1 90 90 LEU N N 90 127.444 127.444 121.744 5.700 18834 7690 1 15 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.107 0.176 18834 7691 1 15 . 1 1 90 90 LEU C C 90 173.560 173.560 175.816 -2.256 18834 7692 1 15 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.256 1.832 18834 7693 1 15 . 1 1 90 90 LEU CB C 90 45.956 45.956 42.939 3.017 18834 7694 1 15 . 1 1 90 90 LEU H H 90 8.909 8.909 8.608 0.301 18834 7695 1 15 . 1 1 91 91 GLU N N 91 118.954 118.954 120.749 -1.795 18834 7696 1 15 . 1 1 91 91 GLU HA H 91 5.062 5.062 4.921 0.141 18834 7697 1 15 . 1 1 91 91 GLU C C 91 176.652 176.652 176.045 0.607 18834 7698 1 15 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.335 -0.548 18834 7699 1 15 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.248 0.598 18834 7700 1 15 . 1 1 91 91 GLU H H 91 8.813 8.813 8.972 -0.159 18834 7701 1 15 . 1 1 92 92 LYS N N 92 129.055 129.055 126.435 2.620 18834 7702 1 15 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.500 -0.113 18834 7703 1 15 . 1 1 92 92 LYS C C 92 178.000 178.000 177.442 0.558 18834 7704 1 15 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.642 -0.380 18834 7705 1 15 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.905 -0.834 18834 7706 1 15 . 1 1 92 92 LYS H H 92 9.362 9.362 8.531 0.831 18834 7707 1 15 . 1 1 93 93 GLY N N 93 117.893 117.893 109.058 8.835 18834 7708 1 15 . 1 1 93 93 GLY C C 93 173.147 173.147 172.867 0.280 18834 7709 1 15 . 1 1 93 93 GLY CA C 93 45.173 45.173 43.605 1.568 18834 7710 1 15 . 1 1 93 93 GLY H H 93 9.698 9.698 8.966 0.732 18834 7711 1 15 . 1 1 94 94 GLN N N 94 116.797 116.797 118.274 -1.477 18834 7712 1 15 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.316 -0.054 18834 7713 1 15 . 1 1 94 94 GLN C C 94 175.942 175.942 174.705 1.237 18834 7714 1 15 . 1 1 94 94 GLN CA C 94 55.514 55.514 56.267 -0.753 18834 7715 1 15 . 1 1 94 94 GLN CB C 94 29.688 29.688 28.811 0.877 18834 7716 1 15 . 1 1 94 94 GLN H H 94 8.252 8.252 8.640 -0.388 18834 7717 1 15 . 1 1 95 95 SER N N 95 118.117 118.117 119.101 -0.984 18834 7718 1 15 . 1 1 95 95 SER HA H 95 4.658 4.658 4.979 -0.321 18834 7719 1 15 . 1 1 95 95 SER CA C 95 56.588 56.588 56.114 0.474 18834 7720 1 15 . 1 1 95 95 SER CB C 95 63.194 63.194 63.697 -0.503 18834 7721 1 15 . 1 1 95 95 SER H H 95 8.377 8.377 8.375 0.002 18834 7722 1 15 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.221 0.256 18834 7723 1 15 . 1 1 96 96 PRO C C 96 176.291 176.291 177.377 -1.086 18834 7724 1 15 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.743 0.768 18834 7725 1 15 . 1 1 96 96 PRO CB C 96 31.953 31.953 31.936 0.017 18834 7726 1 16 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.599 -0.125 18834 7727 1 16 . 1 1 2 2 PRO C C 2 175.857 175.857 175.643 0.214 18834 7728 1 16 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.645 0.198 18834 7729 1 16 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.435 -0.167 18834 7730 1 16 . 1 1 3 3 LYS N N 3 124.698 124.698 119.816 4.882 18834 7731 1 16 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.673 -0.083 18834 7732 1 16 . 1 1 3 3 LYS CA C 3 53.618 53.618 53.578 0.040 18834 7733 1 16 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.239 -0.683 18834 7734 1 16 . 1 1 3 3 LYS H H 3 8.952 8.952 8.041 0.911 18834 7735 1 16 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.078 -0.134 18834 7736 1 16 . 1 1 4 4 PRO C C 4 177.504 177.504 177.119 0.385 18834 7737 1 16 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.006 0.538 18834 7738 1 16 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.170 0.600 18834 7739 1 16 . 1 1 5 5 GLY N N 5 113.728 113.728 113.662 0.066 18834 7740 1 16 . 1 1 5 5 GLY C C 5 174.146 174.146 174.027 0.119 18834 7741 1 16 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.726 0.307 18834 7742 1 16 . 1 1 5 5 GLY H H 5 9.011 9.011 8.526 0.485 18834 7743 1 16 . 1 1 6 6 ASP N N 6 121.776 121.776 122.267 -0.491 18834 7744 1 16 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.709 -0.039 18834 7745 1 16 . 1 1 6 6 ASP C C 6 175.673 175.673 175.793 -0.120 18834 7746 1 16 . 1 1 6 6 ASP CA C 6 54.918 54.918 54.231 0.687 18834 7747 1 16 . 1 1 6 6 ASP CB C 6 41.446 41.446 41.954 -0.508 18834 7748 1 16 . 1 1 6 6 ASP H H 6 8.468 8.468 7.865 0.603 18834 7749 1 16 . 1 1 7 7 ILE N N 7 121.570 121.570 124.269 -2.699 18834 7750 1 16 . 1 1 7 7 ILE HA H 7 5.331 5.331 5.122 0.209 18834 7751 1 16 . 1 1 7 7 ILE C C 7 176.824 176.824 176.012 0.812 18834 7752 1 16 . 1 1 7 7 ILE CA C 7 59.601 59.601 60.613 -1.012 18834 7753 1 16 . 1 1 7 7 ILE CB C 7 38.254 38.254 38.728 -0.474 18834 7754 1 16 . 1 1 7 7 ILE H H 7 8.362 8.362 8.356 0.006 18834 7755 1 16 . 1 1 8 8 PHE N N 8 125.816 125.816 125.537 0.279 18834 7756 1 16 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.105 -0.033 18834 7757 1 16 . 1 1 8 8 PHE C C 8 171.149 171.149 173.519 -2.370 18834 7758 1 16 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.230 0.299 18834 7759 1 16 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.113 0.199 18834 7760 1 16 . 1 1 8 8 PHE H H 8 9.476 9.476 8.802 0.674 18834 7761 1 16 . 1 1 9 9 GLU N N 9 118.961 118.961 119.382 -0.421 18834 7762 1 16 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.511 0.702 18834 7763 1 16 . 1 1 9 9 GLU C C 9 175.995 175.995 176.108 -0.113 18834 7764 1 16 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.064 -1.075 18834 7765 1 16 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.945 1.484 18834 7766 1 16 . 1 1 9 9 GLU H H 9 8.490 8.490 8.470 0.020 18834 7767 1 16 . 1 1 10 10 VAL N N 10 119.964 119.964 116.576 3.388 18834 7768 1 16 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.491 -0.354 18834 7769 1 16 . 1 1 10 10 VAL C C 10 173.221 173.221 173.790 -0.569 18834 7770 1 16 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.498 1.593 18834 7771 1 16 . 1 1 10 10 VAL CB C 10 36.766 36.766 34.914 1.852 18834 7772 1 16 . 1 1 10 10 VAL H H 10 8.577 8.577 7.812 0.765 18834 7773 1 16 . 1 1 11 11 GLU N N 11 126.219 126.219 124.132 2.087 18834 7774 1 16 . 1 1 11 11 GLU HA H 11 4.955 4.955 4.920 0.035 18834 7775 1 16 . 1 1 11 11 GLU C C 11 174.538 174.538 175.201 -0.663 18834 7776 1 16 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.336 0.526 18834 7777 1 16 . 1 1 11 11 GLU CB C 11 30.836 30.836 30.234 0.602 18834 7778 1 16 . 1 1 11 11 GLU H H 11 7.794 7.794 8.231 -0.437 18834 7779 1 16 . 1 1 12 12 LEU N N 12 126.212 126.212 126.698 -0.486 18834 7780 1 16 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.644 0.002 18834 7781 1 16 . 1 1 12 12 LEU C C 12 173.916 173.916 174.580 -0.664 18834 7782 1 16 . 1 1 12 12 LEU CA C 12 53.137 53.137 54.347 -1.210 18834 7783 1 16 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.574 -0.448 18834 7784 1 16 . 1 1 12 12 LEU H H 12 8.848 8.848 8.711 0.137 18834 7785 1 16 . 1 1 13 13 ALA N N 13 126.357 126.357 127.006 -0.649 18834 7786 1 16 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.471 0.624 18834 7787 1 16 . 1 1 13 13 ALA C C 13 177.352 177.352 176.377 0.975 18834 7788 1 16 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.708 -1.788 18834 7789 1 16 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.927 -0.550 18834 7790 1 16 . 1 1 13 13 ALA H H 13 8.494 8.494 8.747 -0.253 18834 7791 1 16 . 1 1 14 14 LYS N N 14 120.000 120.000 120.575 -0.575 18834 7792 1 16 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.160 -0.408 18834 7793 1 16 . 1 1 14 14 LYS C C 14 176.313 176.313 176.313 0.000 18834 7794 1 16 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.836 -0.074 18834 7795 1 16 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.327 1.142 18834 7796 1 16 . 1 1 14 14 LYS H H 14 8.496 8.496 8.022 0.474 18834 7797 1 16 . 1 1 15 15 ASN N N 15 117.473 117.473 117.328 0.145 18834 7798 1 16 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.436 0.481 18834 7799 1 16 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.535 -1.048 18834 7800 1 16 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.524 2.160 18834 7801 1 16 . 1 1 15 15 ASN H H 15 8.079 8.079 8.170 -0.091 18834 7802 1 16 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.306 -0.047 18834 7803 1 16 . 1 1 16 16 ASP C C 16 175.515 175.515 175.722 -0.207 18834 7804 1 16 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.558 -0.038 18834 7805 1 16 . 1 1 16 16 ASP CB C 16 39.303 39.303 40.148 -0.844 18834 7806 1 16 . 1 1 17 17 ASN N N 17 110.160 110.160 111.067 -0.907 18834 7807 1 16 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.203 0.029 18834 7808 1 16 . 1 1 17 17 ASN C C 17 174.550 174.550 174.334 0.216 18834 7809 1 16 . 1 1 17 17 ASN CA C 17 54.349 54.349 55.131 -0.782 18834 7810 1 16 . 1 1 17 17 ASN CB C 17 38.455 38.455 37.922 0.533 18834 7811 1 16 . 1 1 17 17 ASN H H 17 8.959 8.959 8.671 0.288 18834 7812 1 16 . 1 1 18 18 SER N N 18 112.013 112.013 115.538 -3.525 18834 7813 1 16 . 1 1 18 18 SER HA H 18 4.976 4.976 4.544 0.432 18834 7814 1 16 . 1 1 18 18 SER CA C 18 56.519 56.519 58.810 -2.292 18834 7815 1 16 . 1 1 18 18 SER CB C 18 65.053 65.053 63.991 1.062 18834 7816 1 16 . 1 1 18 18 SER H H 18 7.892 7.892 7.533 0.359 18834 7817 1 16 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.888 -0.632 18834 7818 1 16 . 1 1 19 19 LEU C C 19 176.996 176.996 176.070 0.926 18834 7819 1 16 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.529 1.416 18834 7820 1 16 . 1 1 19 19 LEU CB C 19 43.178 43.178 43.097 0.081 18834 7821 1 16 . 1 1 20 20 GLY N N 20 105.651 105.651 107.284 -1.633 18834 7822 1 16 . 1 1 20 20 GLY C C 20 176.218 176.218 173.158 3.060 18834 7823 1 16 . 1 1 20 20 GLY CA C 20 46.868 46.868 44.644 2.224 18834 7824 1 16 . 1 1 20 20 GLY H H 20 8.804 8.804 8.209 0.595 18834 7825 1 16 . 1 1 21 21 ILE N N 21 115.348 115.348 119.464 -4.116 18834 7826 1 16 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.862 -0.020 18834 7827 1 16 . 1 1 21 21 ILE C C 21 175.987 175.987 176.039 -0.052 18834 7828 1 16 . 1 1 21 21 ILE CA C 21 59.795 59.795 58.761 1.034 18834 7829 1 16 . 1 1 21 21 ILE CB C 21 42.334 42.334 39.761 2.573 18834 7830 1 16 . 1 1 21 21 ILE H H 21 7.775 7.775 7.724 0.051 18834 7831 1 16 . 1 1 22 22 CYS N N 22 123.503 123.503 120.871 2.632 18834 7832 1 16 . 1 1 22 22 CYS C C 22 176.187 176.187 173.658 2.529 18834 7833 1 16 . 1 1 22 22 CYS CA C 22 53.779 53.779 57.651 -3.872 18834 7834 1 16 . 1 1 22 22 CYS CB C 22 36.527 36.527 29.095 7.432 18834 7835 1 16 . 1 1 22 22 CYS H H 22 8.533 8.533 8.525 0.008 18834 7836 1 16 . 1 1 23 23 VAL N N 23 114.882 114.882 115.766 -0.884 18834 7837 1 16 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.271 0.177 18834 7838 1 16 . 1 1 23 23 VAL C C 23 174.219 174.219 174.128 0.091 18834 7839 1 16 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.252 -0.830 18834 7840 1 16 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.472 -0.378 18834 7841 1 16 . 1 1 23 23 VAL H H 23 7.720 7.720 8.414 -0.694 18834 7842 1 16 . 1 1 24 24 THR N N 24 115.462 115.462 113.962 1.500 18834 7843 1 16 . 1 1 24 24 THR HA H 24 4.691 4.691 4.694 -0.003 18834 7844 1 16 . 1 1 24 24 THR C C 24 171.649 171.649 173.192 -1.543 18834 7845 1 16 . 1 1 24 24 THR CA C 24 59.560 59.560 59.992 -0.432 18834 7846 1 16 . 1 1 24 24 THR CB C 24 70.573 70.573 70.247 0.326 18834 7847 1 16 . 1 1 24 24 THR H H 24 9.175 9.175 8.364 0.811 18834 7848 1 16 . 1 1 25 25 GLY N N 25 111.734 111.734 110.659 1.075 18834 7849 1 16 . 1 1 25 25 GLY C C 25 174.216 174.216 173.451 0.765 18834 7850 1 16 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.612 0.052 18834 7851 1 16 . 1 1 25 25 GLY H H 25 8.323 8.323 8.366 -0.043 18834 7852 1 16 . 1 1 26 26 GLY N N 26 107.524 107.524 107.648 -0.124 18834 7853 1 16 . 1 1 26 26 GLY C C 26 176.306 176.306 174.548 1.758 18834 7854 1 16 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.409 -1.639 18834 7855 1 16 . 1 1 26 26 GLY H H 26 7.541 7.541 7.797 -0.256 18834 7856 1 16 . 1 1 27 27 VAL N N 27 116.903 116.903 123.216 -6.313 18834 7857 1 16 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.050 0.078 18834 7858 1 16 . 1 1 27 27 VAL C C 27 175.716 175.716 176.745 -1.029 18834 7859 1 16 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.917 0.977 18834 7860 1 16 . 1 1 27 27 VAL CB C 27 31.963 31.963 30.948 1.015 18834 7861 1 16 . 1 1 27 27 VAL H H 27 8.055 8.055 8.172 -0.117 18834 7862 1 16 . 1 1 28 28 ASN N N 28 117.840 117.840 113.654 4.186 18834 7863 1 16 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.359 0.444 18834 7864 1 16 . 1 1 28 28 ASN C C 28 174.846 174.846 174.902 -0.056 18834 7865 1 16 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.009 -0.529 18834 7866 1 16 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.392 0.362 18834 7867 1 16 . 1 1 28 28 ASN H H 28 8.779 8.779 8.674 0.105 18834 7868 1 16 . 1 1 29 29 THR N N 29 111.408 111.408 110.063 1.345 18834 7869 1 16 . 1 1 29 29 THR HA H 29 4.690 4.690 4.218 0.472 18834 7870 1 16 . 1 1 29 29 THR CA C 29 61.624 61.624 61.693 -0.069 18834 7871 1 16 . 1 1 29 29 THR CB C 29 70.939 70.939 69.171 1.768 18834 7872 1 16 . 1 1 29 29 THR H H 29 7.857 7.857 7.552 0.305 18834 7873 1 16 . 1 1 30 30 SER N N 30 113.816 113.816 114.433 -0.617 18834 7874 1 16 . 1 1 30 30 SER HA H 30 4.537 4.537 4.189 0.348 18834 7875 1 16 . 1 1 30 30 SER C C 30 174.867 174.867 174.638 0.229 18834 7876 1 16 . 1 1 30 30 SER CA C 30 58.369 58.369 59.346 -0.977 18834 7877 1 16 . 1 1 30 30 SER CB C 30 63.547 63.547 62.913 0.634 18834 7878 1 16 . 1 1 30 30 SER H H 30 8.438 8.438 8.513 -0.075 18834 7879 1 16 . 1 1 31 31 VAL N N 31 118.013 118.013 116.469 1.544 18834 7880 1 16 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.659 0.439 18834 7881 1 16 . 1 1 31 31 VAL C C 31 176.528 176.528 175.929 0.599 18834 7882 1 16 . 1 1 31 31 VAL CA C 31 62.070 62.070 61.987 0.083 18834 7883 1 16 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.048 0.459 18834 7884 1 16 . 1 1 31 31 VAL H H 31 7.567 7.567 7.233 0.334 18834 7885 1 16 . 1 1 32 32 ARG N N 32 124.719 124.719 127.072 -2.353 18834 7886 1 16 . 1 1 32 32 ARG HA H 32 4.007 4.007 4.035 -0.028 18834 7887 1 16 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.703 -0.694 18834 7888 1 16 . 1 1 32 32 ARG CB C 32 29.571 29.571 30.381 -0.810 18834 7889 1 16 . 1 1 32 32 ARG H H 32 8.501 8.501 8.588 -0.087 18834 7890 1 16 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.508 0.069 18834 7891 1 16 . 1 1 33 33 HIS C C 33 175.064 175.064 175.886 -0.822 18834 7892 1 16 . 1 1 33 33 HIS CA C 33 56.814 56.814 56.678 0.136 18834 7893 1 16 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.486 -1.395 18834 7894 1 16 . 1 1 34 34 GLY N N 34 109.357 109.357 105.622 3.735 18834 7895 1 16 . 1 1 34 34 GLY C C 34 174.616 174.616 173.965 0.651 18834 7896 1 16 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.177 1.417 18834 7897 1 16 . 1 1 34 34 GLY H H 34 8.469 8.469 8.597 -0.128 18834 7898 1 16 . 1 1 35 35 GLY N N 35 104.989 104.989 107.330 -2.341 18834 7899 1 16 . 1 1 35 35 GLY C C 35 170.518 170.518 173.902 -3.384 18834 7900 1 16 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.480 1.161 18834 7901 1 16 . 1 1 35 35 GLY H H 35 7.787 7.787 7.718 0.069 18834 7902 1 16 . 1 1 36 36 ILE N N 36 119.808 119.808 120.151 -0.343 18834 7903 1 16 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.537 0.209 18834 7904 1 16 . 1 1 36 36 ILE C C 36 174.616 174.616 175.287 -0.671 18834 7905 1 16 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.118 -3.163 18834 7906 1 16 . 1 1 36 36 ILE CB C 36 35.618 35.618 37.630 -2.012 18834 7907 1 16 . 1 1 36 36 ILE H H 36 8.362 8.362 7.686 0.676 18834 7908 1 16 . 1 1 37 37 TYR N N 37 123.168 123.168 126.825 -3.657 18834 7909 1 16 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.627 0.641 18834 7910 1 16 . 1 1 37 37 TYR C C 37 176.069 176.069 175.543 0.526 18834 7911 1 16 . 1 1 37 37 TYR CA C 37 55.959 55.959 55.431 0.528 18834 7912 1 16 . 1 1 37 37 TYR CB C 37 42.436 42.436 40.858 1.578 18834 7913 1 16 . 1 1 37 37 TYR H H 37 8.904 8.904 9.361 -0.457 18834 7914 1 16 . 1 1 38 38 VAL N N 38 120.273 120.273 122.036 -1.763 18834 7915 1 16 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.093 -0.294 18834 7916 1 16 . 1 1 38 38 VAL C C 38 175.886 175.886 176.475 -0.589 18834 7917 1 16 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.605 1.479 18834 7918 1 16 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.852 0.592 18834 7919 1 16 . 1 1 38 38 VAL H H 38 9.230 9.230 8.944 0.286 18834 7920 1 16 . 1 1 39 39 LYS N N 39 133.619 133.619 129.096 4.523 18834 7921 1 16 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.180 0.209 18834 7922 1 16 . 1 1 39 39 LYS C C 39 174.763 174.763 175.668 -0.905 18834 7923 1 16 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.758 -1.222 18834 7924 1 16 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.027 1.512 18834 7925 1 16 . 1 1 39 39 LYS H H 39 9.584 9.584 8.293 1.291 18834 7926 1 16 . 1 1 40 40 ALA N N 40 117.459 117.459 117.942 -0.483 18834 7927 1 16 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.539 -0.035 18834 7928 1 16 . 1 1 40 40 ALA C C 40 174.686 174.686 174.812 -0.126 18834 7929 1 16 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.937 -0.040 18834 7930 1 16 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.227 1.018 18834 7931 1 16 . 1 1 40 40 ALA H H 40 7.584 7.584 7.244 0.340 18834 7932 1 16 . 1 1 41 41 VAL N N 41 120.599 120.599 121.104 -0.505 18834 7933 1 16 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.381 -0.002 18834 7934 1 16 . 1 1 41 41 VAL C C 41 175.714 175.714 175.825 -0.111 18834 7935 1 16 . 1 1 41 41 VAL CA C 41 61.149 61.149 60.949 0.200 18834 7936 1 16 . 1 1 41 41 VAL CB C 41 32.506 32.506 33.959 -1.453 18834 7937 1 16 . 1 1 41 41 VAL H H 41 8.747 8.747 8.502 0.245 18834 7938 1 16 . 1 1 42 42 ILE N N 42 127.775 127.775 123.721 4.054 18834 7939 1 16 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.438 -0.311 18834 7940 1 16 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.431 1.395 18834 7941 1 16 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.184 1.032 18834 7942 1 16 . 1 1 42 42 ILE H H 42 7.827 7.827 8.313 -0.486 18834 7943 1 16 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.522 -0.047 18834 7944 1 16 . 1 1 43 43 PRO C C 43 177.234 177.234 176.675 0.559 18834 7945 1 16 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.617 1.560 18834 7946 1 16 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.575 -0.774 18834 7947 1 16 . 1 1 44 44 GLN N N 44 116.932 116.932 114.878 2.054 18834 7948 1 16 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.922 -0.074 18834 7949 1 16 . 1 1 44 44 GLN C C 44 175.628 175.628 174.967 0.661 18834 7950 1 16 . 1 1 44 44 GLN CA C 44 58.141 58.141 56.569 1.572 18834 7951 1 16 . 1 1 44 44 GLN CB C 44 26.441 26.441 26.633 -0.192 18834 7952 1 16 . 1 1 44 44 GLN H H 44 9.388 9.388 8.696 0.692 18834 7953 1 16 . 1 1 45 45 GLY N N 45 106.131 106.131 103.165 2.966 18834 7954 1 16 . 1 1 45 45 GLY C C 45 174.404 174.404 172.782 1.622 18834 7955 1 16 . 1 1 45 45 GLY CA C 45 44.658 44.658 44.850 -0.192 18834 7956 1 16 . 1 1 45 45 GLY H H 45 7.875 7.875 7.468 0.407 18834 7957 1 16 . 1 1 46 46 ALA N N 46 121.011 121.011 122.956 -1.945 18834 7958 1 16 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.114 -0.063 18834 7959 1 16 . 1 1 46 46 ALA C C 46 180.673 180.673 179.089 1.584 18834 7960 1 16 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.367 -0.322 18834 7961 1 16 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.689 -0.181 18834 7962 1 16 . 1 1 46 46 ALA H H 46 9.017 9.017 8.911 0.106 18834 7963 1 16 . 1 1 47 47 ALA N N 47 118.848 118.848 121.608 -2.760 18834 7964 1 16 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.924 0.144 18834 7965 1 16 . 1 1 47 47 ALA C C 47 180.699 180.699 179.783 0.916 18834 7966 1 16 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.173 -0.256 18834 7967 1 16 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.973 0.657 18834 7968 1 16 . 1 1 47 47 ALA H H 47 7.754 7.754 8.176 -0.422 18834 7969 1 16 . 1 1 48 48 GLU N N 48 124.400 124.400 119.486 4.914 18834 7970 1 16 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.031 -0.208 18834 7971 1 16 . 1 1 48 48 GLU C C 48 178.174 178.174 179.114 -0.940 18834 7972 1 16 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.681 1.228 18834 7973 1 16 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.259 0.500 18834 7974 1 16 . 1 1 48 48 GLU H H 48 9.317 9.317 8.543 0.774 18834 7975 1 16 . 1 1 49 49 SER N N 49 113.388 113.388 114.299 -0.911 18834 7976 1 16 . 1 1 49 49 SER HA H 49 4.100 4.100 4.221 -0.121 18834 7977 1 16 . 1 1 49 49 SER C C 49 175.693 175.693 176.604 -0.911 18834 7978 1 16 . 1 1 49 49 SER CA C 49 61.233 61.233 60.834 0.400 18834 7979 1 16 . 1 1 49 49 SER CB C 49 62.780 62.780 63.257 -0.477 18834 7980 1 16 . 1 1 49 49 SER H H 49 8.115 8.115 8.230 -0.115 18834 7981 1 16 . 1 1 50 50 ASP N N 50 120.047 120.047 120.397 -0.350 18834 7982 1 16 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.553 -0.175 18834 7983 1 16 . 1 1 50 50 ASP C C 50 177.650 177.650 177.289 0.361 18834 7984 1 16 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.960 2.254 18834 7985 1 16 . 1 1 50 50 ASP CB C 50 44.241 44.241 42.002 2.239 18834 7986 1 16 . 1 1 50 50 ASP H H 50 7.609 7.609 8.197 -0.588 18834 7987 1 16 . 1 1 51 51 GLY N N 51 102.979 102.979 107.555 -4.576 18834 7988 1 16 . 1 1 51 51 GLY C C 51 174.977 174.977 174.912 0.065 18834 7989 1 16 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.558 0.794 18834 7990 1 16 . 1 1 51 51 GLY H H 51 7.372 7.372 8.109 -0.737 18834 7991 1 16 . 1 1 52 52 ARG N N 52 117.579 117.579 118.723 -1.144 18834 7992 1 16 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.420 -0.106 18834 7993 1 16 . 1 1 52 52 ARG C C 52 175.886 175.886 176.816 -0.930 18834 7994 1 16 . 1 1 52 52 ARG CA C 52 57.894 57.894 57.278 0.616 18834 7995 1 16 . 1 1 52 52 ARG CB C 52 33.246 33.246 31.266 1.980 18834 7996 1 16 . 1 1 52 52 ARG H H 52 7.966 7.966 7.778 0.188 18834 7997 1 16 . 1 1 53 53 ILE N N 53 120.155 120.155 118.497 1.658 18834 7998 1 16 . 1 1 53 53 ILE HA H 53 4.236 4.236 3.925 0.311 18834 7999 1 16 . 1 1 53 53 ILE C C 53 173.773 173.773 174.538 -0.765 18834 8000 1 16 . 1 1 53 53 ILE CA C 53 61.405 61.405 62.321 -0.916 18834 8001 1 16 . 1 1 53 53 ILE CB C 53 39.641 39.641 38.803 0.838 18834 8002 1 16 . 1 1 53 53 ILE H H 53 8.225 8.225 8.117 0.108 18834 8003 1 16 . 1 1 54 54 HIS N N 54 123.751 123.751 120.751 3.000 18834 8004 1 16 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.850 -0.060 18834 8005 1 16 . 1 1 54 54 HIS C C 54 173.696 173.696 174.201 -0.505 18834 8006 1 16 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.290 0.554 18834 8007 1 16 . 1 1 54 54 HIS CB C 54 33.566 33.566 31.979 1.587 18834 8008 1 16 . 1 1 54 54 HIS H H 54 9.061 9.061 8.085 0.976 18834 8009 1 16 . 1 1 55 55 LYS N N 55 120.590 120.590 120.063 0.527 18834 8010 1 16 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.063 -0.437 18834 8011 1 16 . 1 1 55 55 LYS C C 55 176.916 176.916 177.252 -0.336 18834 8012 1 16 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.703 0.601 18834 8013 1 16 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.464 -0.043 18834 8014 1 16 . 1 1 55 55 LYS H H 55 8.670 8.670 8.496 0.174 18834 8015 1 16 . 1 1 56 56 GLY N N 56 114.645 114.645 112.288 2.357 18834 8016 1 16 . 1 1 56 56 GLY C C 56 174.438 174.438 174.742 -0.304 18834 8017 1 16 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.848 -0.086 18834 8018 1 16 . 1 1 56 56 GLY H H 56 9.201 9.201 8.877 0.324 18834 8019 1 16 . 1 1 57 57 ASP N N 57 121.982 121.982 124.247 -2.265 18834 8020 1 16 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.750 0.137 18834 8021 1 16 . 1 1 57 57 ASP C C 57 174.623 174.623 174.942 -0.319 18834 8022 1 16 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.119 0.717 18834 8023 1 16 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.362 -0.279 18834 8024 1 16 . 1 1 57 57 ASP H H 57 8.058 8.058 7.119 0.939 18834 8025 1 16 . 1 1 58 58 ARG N N 58 123.240 123.240 117.152 6.088 18834 8026 1 16 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.786 -0.171 18834 8027 1 16 . 1 1 58 58 ARG C C 58 175.573 175.573 174.670 0.903 18834 8028 1 16 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.222 0.299 18834 8029 1 16 . 1 1 58 58 ARG CB C 58 33.701 33.701 33.756 -0.055 18834 8030 1 16 . 1 1 58 58 ARG H H 58 9.078 9.078 8.627 0.451 18834 8031 1 16 . 1 1 59 59 VAL N N 59 126.202 126.202 119.712 6.490 18834 8032 1 16 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.344 -0.481 18834 8033 1 16 . 1 1 59 59 VAL C C 59 174.458 174.458 175.494 -1.036 18834 8034 1 16 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.423 -0.220 18834 8035 1 16 . 1 1 59 59 VAL CB C 59 30.998 30.998 32.271 -1.273 18834 8036 1 16 . 1 1 59 59 VAL H H 59 8.897 8.897 8.863 0.035 18834 8037 1 16 . 1 1 60 60 LEU N N 60 127.163 127.163 127.484 -0.321 18834 8038 1 16 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.508 -0.212 18834 8039 1 16 . 1 1 60 60 LEU C C 60 178.289 178.289 175.717 2.572 18834 8040 1 16 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.195 -0.141 18834 8041 1 16 . 1 1 60 60 LEU CB C 60 42.612 42.612 43.196 -0.584 18834 8042 1 16 . 1 1 60 60 LEU H H 60 9.213 9.213 8.684 0.529 18834 8043 1 16 . 1 1 61 61 ALA N N 61 118.886 118.886 117.130 1.756 18834 8044 1 16 . 1 1 61 61 ALA HA H 61 4.954 4.954 4.845 0.109 18834 8045 1 16 . 1 1 61 61 ALA C C 61 175.288 175.288 175.227 0.061 18834 8046 1 16 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.512 1.767 18834 8047 1 16 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.234 -0.138 18834 8048 1 16 . 1 1 61 61 ALA H H 61 7.741 7.741 7.250 0.491 18834 8049 1 16 . 1 1 62 62 VAL N N 62 119.929 119.929 120.207 -0.278 18834 8050 1 16 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.234 0.216 18834 8051 1 16 . 1 1 62 62 VAL C C 62 175.323 175.323 176.134 -0.811 18834 8052 1 16 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.980 -0.562 18834 8053 1 16 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.415 0.635 18834 8054 1 16 . 1 1 62 62 VAL H H 62 8.256 8.256 8.453 -0.197 18834 8055 1 16 . 1 1 63 63 ASN N N 63 128.933 128.933 127.628 1.305 18834 8056 1 16 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.461 0.084 18834 8057 1 16 . 1 1 63 63 ASN C C 63 175.197 175.197 175.292 -0.095 18834 8058 1 16 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.227 -0.060 18834 8059 1 16 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.886 -0.990 18834 8060 1 16 . 1 1 63 63 ASN H H 63 10.392 10.392 9.431 0.961 18834 8061 1 16 . 1 1 64 64 GLY N N 64 103.413 103.413 101.856 1.557 18834 8062 1 16 . 1 1 64 64 GLY C C 64 173.872 173.872 174.282 -0.410 18834 8063 1 16 . 1 1 64 64 GLY CA C 64 45.171 45.171 45.169 0.002 18834 8064 1 16 . 1 1 64 64 GLY H H 64 9.085 9.085 8.537 0.548 18834 8065 1 16 . 1 1 65 65 VAL N N 65 123.643 123.643 123.094 0.549 18834 8066 1 16 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.199 -0.251 18834 8067 1 16 . 1 1 65 65 VAL C C 65 175.645 175.645 175.905 -0.260 18834 8068 1 16 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.137 0.999 18834 8069 1 16 . 1 1 65 65 VAL CB C 65 31.640 31.640 32.620 -0.980 18834 8070 1 16 . 1 1 65 65 VAL H H 65 8.028 8.028 7.894 0.134 18834 8071 1 16 . 1 1 66 66 SER N N 66 120.923 120.923 123.460 -2.537 18834 8072 1 16 . 1 1 66 66 SER HA H 66 4.334 4.334 4.198 0.136 18834 8073 1 16 . 1 1 66 66 SER C C 66 176.388 176.388 173.461 2.927 18834 8074 1 16 . 1 1 66 66 SER CA C 66 58.342 58.342 60.418 -2.076 18834 8075 1 16 . 1 1 66 66 SER CB C 66 63.562 63.562 63.485 0.077 18834 8076 1 16 . 1 1 66 66 SER H H 66 8.647 8.647 8.770 -0.123 18834 8077 1 16 . 1 1 67 67 LEU N N 67 125.116 125.116 121.828 3.288 18834 8078 1 16 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.609 -0.171 18834 8079 1 16 . 1 1 67 67 LEU C C 67 176.462 176.462 175.390 1.072 18834 8080 1 16 . 1 1 67 67 LEU CA C 67 53.732 53.732 55.343 -1.611 18834 8081 1 16 . 1 1 67 67 LEU CB C 67 40.890 40.890 43.442 -2.552 18834 8082 1 16 . 1 1 67 67 LEU H H 67 8.292 8.292 8.751 -0.459 18834 8083 1 16 . 1 1 68 68 GLU N N 68 123.552 123.552 121.078 2.474 18834 8084 1 16 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.026 0.009 18834 8085 1 16 . 1 1 68 68 GLU C C 68 177.767 177.767 177.493 0.274 18834 8086 1 16 . 1 1 68 68 GLU CA C 68 58.571 58.571 57.245 1.326 18834 8087 1 16 . 1 1 68 68 GLU CB C 68 29.052 29.052 28.838 0.214 18834 8088 1 16 . 1 1 68 68 GLU H H 68 8.305 8.305 7.779 0.526 18834 8089 1 16 . 1 1 69 69 GLY N N 69 115.496 115.496 113.928 1.568 18834 8090 1 16 . 1 1 69 69 GLY C C 69 173.618 173.618 174.207 -0.589 18834 8091 1 16 . 1 1 69 69 GLY CA C 69 45.396 45.396 45.017 0.379 18834 8092 1 16 . 1 1 69 69 GLY H H 69 8.977 8.977 8.517 0.460 18834 8093 1 16 . 1 1 70 70 ALA N N 70 121.999 121.999 123.360 -1.361 18834 8094 1 16 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.614 -0.112 18834 8095 1 16 . 1 1 70 70 ALA C C 70 179.820 179.820 175.951 3.869 18834 8096 1 16 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.434 0.981 18834 8097 1 16 . 1 1 70 70 ALA CB C 70 19.638 19.638 19.802 -0.164 18834 8098 1 16 . 1 1 70 70 ALA H H 70 7.807 7.807 8.126 -0.319 18834 8099 1 16 . 1 1 71 71 THR N N 71 111.294 111.294 111.001 0.293 18834 8100 1 16 . 1 1 71 71 THR HA H 71 4.515 4.515 4.386 0.129 18834 8101 1 16 . 1 1 71 71 THR C C 71 174.717 174.717 175.668 -0.951 18834 8102 1 16 . 1 1 71 71 THR CA C 71 60.692 60.692 59.723 0.969 18834 8103 1 16 . 1 1 71 71 THR CB C 71 71.274 71.274 70.549 0.725 18834 8104 1 16 . 1 1 71 71 THR H H 71 8.222 8.222 8.066 0.156 18834 8105 1 16 . 1 1 72 72 HIS N N 72 121.871 121.871 121.332 0.539 18834 8106 1 16 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.296 -0.436 18834 8107 1 16 . 1 1 72 72 HIS C C 72 176.702 176.702 177.180 -0.478 18834 8108 1 16 . 1 1 72 72 HIS CA C 72 61.983 61.983 60.961 1.022 18834 8109 1 16 . 1 1 72 72 HIS CB C 72 30.047 30.047 29.843 0.204 18834 8110 1 16 . 1 1 72 72 HIS H H 72 9.217 9.217 8.917 0.300 18834 8111 1 16 . 1 1 73 73 LYS N N 73 116.941 116.941 118.772 -1.831 18834 8112 1 16 . 1 1 73 73 LYS HA H 73 3.824 3.824 4.030 -0.206 18834 8113 1 16 . 1 1 73 73 LYS C C 73 178.288 178.288 179.192 -0.904 18834 8114 1 16 . 1 1 73 73 LYS CA C 73 59.350 59.350 60.081 -0.731 18834 8115 1 16 . 1 1 73 73 LYS CB C 73 32.811 32.811 32.234 0.577 18834 8116 1 16 . 1 1 73 73 LYS H H 73 8.429 8.429 8.475 -0.046 18834 8117 1 16 . 1 1 74 74 GLN N N 74 116.915 116.915 117.884 -0.969 18834 8118 1 16 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.999 -0.130 18834 8119 1 16 . 1 1 74 74 GLN C C 74 179.732 179.732 178.590 1.142 18834 8120 1 16 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.584 0.015 18834 8121 1 16 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.078 0.273 18834 8122 1 16 . 1 1 74 74 GLN H H 74 7.660 7.660 7.798 -0.138 18834 8123 1 16 . 1 1 75 75 ALA N N 75 122.673 122.673 122.532 0.141 18834 8124 1 16 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.989 -0.201 18834 8125 1 16 . 1 1 75 75 ALA C C 75 179.078 179.078 179.702 -0.624 18834 8126 1 16 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.305 0.261 18834 8127 1 16 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.183 0.668 18834 8128 1 16 . 1 1 75 75 ALA H H 75 8.379 8.379 8.442 -0.063 18834 8129 1 16 . 1 1 76 76 VAL N N 76 112.831 112.831 115.035 -2.204 18834 8130 1 16 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.771 -0.266 18834 8131 1 16 . 1 1 76 76 VAL CA C 76 65.895 65.895 65.386 0.509 18834 8132 1 16 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.014 -0.323 18834 8133 1 16 . 1 1 76 76 VAL H H 76 8.239 8.239 7.813 0.426 18834 8134 1 16 . 1 1 77 77 CYS C C 77 177.150 177.150 176.943 0.207 18834 8135 1 16 . 1 1 77 77 CYS CA C 77 60.391 60.391 62.487 -2.096 18834 8136 1 16 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.078 10.704 18834 8137 1 16 . 1 1 78 78 THR N N 78 117.507 117.507 116.842 0.665 18834 8138 1 16 . 1 1 78 78 THR HA H 78 3.858 3.858 4.062 -0.204 18834 8139 1 16 . 1 1 78 78 THR C C 78 176.460 176.460 175.858 0.602 18834 8140 1 16 . 1 1 78 78 THR CA C 78 67.123 67.123 66.419 0.704 18834 8141 1 16 . 1 1 78 78 THR CB C 78 68.123 68.123 68.736 -0.612 18834 8142 1 16 . 1 1 78 78 THR H H 78 8.015 8.015 8.058 -0.043 18834 8143 1 16 . 1 1 79 79 LEU N N 79 119.666 119.666 119.681 -0.015 18834 8144 1 16 . 1 1 79 79 LEU HA H 79 3.750 3.750 4.015 -0.265 18834 8145 1 16 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.289 0.901 18834 8146 1 16 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.981 0.091 18834 8147 1 16 . 1 1 79 79 LEU H H 79 7.984 7.984 7.578 0.406 18834 8148 1 16 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.087 0.110 18834 8149 1 16 . 1 1 80 80 ARG C C 80 177.750 177.750 178.667 -0.917 18834 8150 1 16 . 1 1 80 80 ARG CA C 80 58.307 58.307 58.206 0.101 18834 8151 1 16 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.495 -0.403 18834 8152 1 16 . 1 1 81 81 ASN N N 81 119.843 119.843 118.996 0.847 18834 8153 1 16 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.645 0.339 18834 8154 1 16 . 1 1 81 81 ASN C C 81 174.819 174.819 174.909 -0.090 18834 8155 1 16 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.407 -0.294 18834 8156 1 16 . 1 1 81 81 ASN CB C 81 37.668 37.668 36.946 0.723 18834 8157 1 16 . 1 1 81 81 ASN H H 81 7.648 7.648 8.092 -0.444 18834 8158 1 16 . 1 1 82 82 THR N N 82 109.907 109.907 111.876 -1.969 18834 8159 1 16 . 1 1 82 82 THR HA H 82 4.447 4.447 4.650 -0.203 18834 8160 1 16 . 1 1 82 82 THR C C 82 175.114 175.114 174.160 0.954 18834 8161 1 16 . 1 1 82 82 THR CA C 82 59.944 59.944 60.484 -0.540 18834 8162 1 16 . 1 1 82 82 THR CB C 82 72.611 72.611 71.351 1.260 18834 8163 1 16 . 1 1 82 82 THR H H 82 7.668 7.668 7.697 -0.029 18834 8164 1 16 . 1 1 83 83 GLY N N 83 109.505 109.505 106.480 3.025 18834 8165 1 16 . 1 1 83 83 GLY C C 83 173.467 173.467 175.054 -1.587 18834 8166 1 16 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.163 -0.071 18834 8167 1 16 . 1 1 83 83 GLY H H 83 8.421 8.421 8.265 0.156 18834 8168 1 16 . 1 1 84 84 GLN N N 84 117.276 117.276 119.553 -2.277 18834 8169 1 16 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.374 -0.411 18834 8170 1 16 . 1 1 84 84 GLN C C 84 175.254 175.254 176.462 -1.208 18834 8171 1 16 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.509 -0.066 18834 8172 1 16 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.170 -0.197 18834 8173 1 16 . 1 1 84 84 GLN H H 84 8.224 8.224 8.588 -0.364 18834 8174 1 16 . 1 1 85 85 VAL N N 85 116.186 116.186 115.753 0.433 18834 8175 1 16 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.088 0.566 18834 8176 1 16 . 1 1 85 85 VAL C C 85 175.879 175.879 174.988 0.891 18834 8177 1 16 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.655 -0.357 18834 8178 1 16 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.446 -0.316 18834 8179 1 16 . 1 1 85 85 VAL H H 85 7.699 7.699 7.713 -0.014 18834 8180 1 16 . 1 1 86 86 VAL N N 86 128.499 128.499 123.064 5.435 18834 8181 1 16 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.425 0.022 18834 8182 1 16 . 1 1 86 86 VAL C C 86 173.365 173.365 174.795 -1.430 18834 8183 1 16 . 1 1 86 86 VAL CA C 86 60.965 60.965 60.605 0.360 18834 8184 1 16 . 1 1 86 86 VAL CB C 86 34.987 34.987 34.595 0.392 18834 8185 1 16 . 1 1 86 86 VAL H H 86 9.043 9.043 9.051 -0.008 18834 8186 1 16 . 1 1 87 87 HIS N N 87 126.357 126.357 124.827 1.530 18834 8187 1 16 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.546 -0.550 18834 8188 1 16 . 1 1 87 87 HIS C C 87 174.387 174.387 174.435 -0.048 18834 8189 1 16 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.824 0.978 18834 8190 1 16 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.605 -0.426 18834 8191 1 16 . 1 1 87 87 HIS H H 87 8.855 8.855 8.812 0.043 18834 8192 1 16 . 1 1 88 88 LEU N N 88 126.780 126.780 120.273 6.507 18834 8193 1 16 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.937 0.023 18834 8194 1 16 . 1 1 88 88 LEU C C 88 173.365 173.365 174.226 -0.861 18834 8195 1 16 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.878 -0.384 18834 8196 1 16 . 1 1 88 88 LEU CB C 88 45.187 45.187 44.735 0.452 18834 8197 1 16 . 1 1 88 88 LEU H H 88 9.016 9.016 7.955 1.062 18834 8198 1 16 . 1 1 89 89 LEU N N 89 124.435 124.435 123.102 1.333 18834 8199 1 16 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.845 -0.124 18834 8200 1 16 . 1 1 89 89 LEU C C 89 175.213 175.213 176.447 -1.234 18834 8201 1 16 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.389 -0.728 18834 8202 1 16 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.129 3.262 18834 8203 1 16 . 1 1 89 89 LEU H H 89 7.965 7.965 7.965 0.000 18834 8204 1 16 . 1 1 90 90 LEU N N 90 127.444 127.444 121.937 5.507 18834 8205 1 16 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.116 0.167 18834 8206 1 16 . 1 1 90 90 LEU C C 90 173.560 173.560 175.863 -2.303 18834 8207 1 16 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.143 1.945 18834 8208 1 16 . 1 1 90 90 LEU CB C 90 45.956 45.956 43.051 2.905 18834 8209 1 16 . 1 1 90 90 LEU H H 90 8.909 8.909 8.585 0.324 18834 8210 1 16 . 1 1 91 91 GLU N N 91 118.954 118.954 120.327 -1.373 18834 8211 1 16 . 1 1 91 91 GLU HA H 91 5.062 5.062 5.003 0.059 18834 8212 1 16 . 1 1 91 91 GLU C C 91 176.652 176.652 176.052 0.600 18834 8213 1 16 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.169 -0.382 18834 8214 1 16 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.409 0.437 18834 8215 1 16 . 1 1 91 91 GLU H H 91 8.813 8.813 8.899 -0.086 18834 8216 1 16 . 1 1 92 92 LYS N N 92 129.055 129.055 126.028 3.027 18834 8217 1 16 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.618 -0.231 18834 8218 1 16 . 1 1 92 92 LYS C C 92 178.000 178.000 176.840 1.160 18834 8219 1 16 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.305 -0.043 18834 8220 1 16 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.402 -0.331 18834 8221 1 16 . 1 1 92 92 LYS H H 92 9.362 9.362 8.804 0.558 18834 8222 1 16 . 1 1 93 93 GLY N N 93 117.893 117.893 110.484 7.409 18834 8223 1 16 . 1 1 93 93 GLY C C 93 173.147 173.147 172.802 0.345 18834 8224 1 16 . 1 1 93 93 GLY CA C 93 45.173 45.173 43.707 1.466 18834 8225 1 16 . 1 1 93 93 GLY H H 93 9.698 9.698 9.383 0.315 18834 8226 1 16 . 1 1 94 94 GLN N N 94 116.797 116.797 117.317 -0.520 18834 8227 1 16 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.660 -0.398 18834 8228 1 16 . 1 1 94 94 GLN C C 94 175.942 175.942 174.696 1.246 18834 8229 1 16 . 1 1 94 94 GLN CA C 94 55.514 55.514 54.838 0.676 18834 8230 1 16 . 1 1 94 94 GLN CB C 94 29.688 29.688 32.975 -3.288 18834 8231 1 16 . 1 1 94 94 GLN H H 94 8.252 8.252 8.393 -0.141 18834 8232 1 16 . 1 1 95 95 SER N N 95 118.117 118.117 117.694 0.423 18834 8233 1 16 . 1 1 95 95 SER HA H 95 4.658 4.658 4.827 -0.169 18834 8234 1 16 . 1 1 95 95 SER CA C 95 56.588 56.588 56.141 0.448 18834 8235 1 16 . 1 1 95 95 SER CB C 95 63.194 63.194 63.454 -0.260 18834 8236 1 16 . 1 1 95 95 SER H H 95 8.377 8.377 8.503 -0.126 18834 8237 1 16 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.396 0.081 18834 8238 1 16 . 1 1 96 96 PRO C C 96 176.291 176.291 176.563 -0.272 18834 8239 1 16 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.927 0.584 18834 8240 1 16 . 1 1 96 96 PRO CB C 96 31.953 31.953 31.875 0.077 18834 8241 1 17 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.388 0.086 18834 8242 1 17 . 1 1 2 2 PRO C C 2 175.857 175.857 176.148 -0.291 18834 8243 1 17 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.275 0.568 18834 8244 1 17 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.381 -0.113 18834 8245 1 17 . 1 1 3 3 LYS N N 3 124.698 124.698 120.572 4.126 18834 8246 1 17 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.597 -0.007 18834 8247 1 17 . 1 1 3 3 LYS CA C 3 53.618 53.618 54.261 -0.643 18834 8248 1 17 . 1 1 3 3 LYS CB C 3 31.556 31.556 31.384 0.172 18834 8249 1 17 . 1 1 3 3 LYS H H 3 8.952 8.952 8.215 0.737 18834 8250 1 17 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.341 -0.397 18834 8251 1 17 . 1 1 4 4 PRO C C 4 177.504 177.504 177.643 -0.139 18834 8252 1 17 . 1 1 4 4 PRO CA C 4 64.544 64.544 63.617 0.927 18834 8253 1 17 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.317 0.453 18834 8254 1 17 . 1 1 5 5 GLY N N 5 113.728 113.728 114.301 -0.573 18834 8255 1 17 . 1 1 5 5 GLY C C 5 174.146 174.146 174.177 -0.031 18834 8256 1 17 . 1 1 5 5 GLY CA C 5 45.033 45.033 45.220 -0.187 18834 8257 1 17 . 1 1 5 5 GLY H H 5 9.011 9.011 8.441 0.570 18834 8258 1 17 . 1 1 6 6 ASP N N 6 121.776 121.776 121.249 0.527 18834 8259 1 17 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.804 -0.134 18834 8260 1 17 . 1 1 6 6 ASP C C 6 175.673 175.673 175.664 0.009 18834 8261 1 17 . 1 1 6 6 ASP CA C 6 54.918 54.918 53.493 1.425 18834 8262 1 17 . 1 1 6 6 ASP CB C 6 41.446 41.446 42.116 -0.670 18834 8263 1 17 . 1 1 6 6 ASP H H 6 8.468 8.468 7.964 0.504 18834 8264 1 17 . 1 1 7 7 ILE N N 7 121.570 121.570 122.594 -1.024 18834 8265 1 17 . 1 1 7 7 ILE HA H 7 5.331 5.331 5.065 0.266 18834 8266 1 17 . 1 1 7 7 ILE C C 7 176.824 176.824 176.163 0.661 18834 8267 1 17 . 1 1 7 7 ILE CA C 7 59.601 59.601 59.315 0.286 18834 8268 1 17 . 1 1 7 7 ILE CB C 7 38.254 38.254 37.796 0.458 18834 8269 1 17 . 1 1 7 7 ILE H H 7 8.362 8.362 8.362 -0.000 18834 8270 1 17 . 1 1 8 8 PHE N N 8 125.816 125.816 125.005 0.811 18834 8271 1 17 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.088 -0.016 18834 8272 1 17 . 1 1 8 8 PHE C C 8 171.149 171.149 173.138 -1.989 18834 8273 1 17 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.343 0.186 18834 8274 1 17 . 1 1 8 8 PHE CB C 8 41.312 41.312 40.987 0.325 18834 8275 1 17 . 1 1 8 8 PHE H H 8 9.476 9.476 8.643 0.833 18834 8276 1 17 . 1 1 9 9 GLU N N 9 118.961 118.961 121.565 -2.604 18834 8277 1 17 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.365 0.848 18834 8278 1 17 . 1 1 9 9 GLU C C 9 175.995 175.995 175.582 0.413 18834 8279 1 17 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.378 -1.389 18834 8280 1 17 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.345 2.083 18834 8281 1 17 . 1 1 9 9 GLU H H 9 8.490 8.490 8.643 -0.153 18834 8282 1 17 . 1 1 10 10 VAL N N 10 119.964 119.964 118.245 1.719 18834 8283 1 17 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.530 -0.393 18834 8284 1 17 . 1 1 10 10 VAL C C 10 173.221 173.221 173.811 -0.590 18834 8285 1 17 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.744 1.347 18834 8286 1 17 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.793 0.973 18834 8287 1 17 . 1 1 10 10 VAL H H 10 8.577 8.577 8.068 0.509 18834 8288 1 17 . 1 1 11 11 GLU N N 11 126.219 126.219 123.148 3.071 18834 8289 1 17 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.012 -0.057 18834 8290 1 17 . 1 1 11 11 GLU C C 11 174.538 174.538 175.071 -0.533 18834 8291 1 17 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.415 0.447 18834 8292 1 17 . 1 1 11 11 GLU CB C 11 30.836 30.836 30.963 -0.127 18834 8293 1 17 . 1 1 11 11 GLU H H 11 7.794 7.794 8.333 -0.539 18834 8294 1 17 . 1 1 12 12 LEU N N 12 126.212 126.212 125.102 1.110 18834 8295 1 17 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.646 -0.000 18834 8296 1 17 . 1 1 12 12 LEU C C 12 173.916 173.916 175.109 -1.193 18834 8297 1 17 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.498 -0.361 18834 8298 1 17 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.305 -0.179 18834 8299 1 17 . 1 1 12 12 LEU H H 12 8.848 8.848 8.779 0.069 18834 8300 1 17 . 1 1 13 13 ALA N N 13 126.357 126.357 125.318 1.039 18834 8301 1 17 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.614 0.481 18834 8302 1 17 . 1 1 13 13 ALA C C 13 177.352 177.352 176.964 0.388 18834 8303 1 17 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.523 -1.603 18834 8304 1 17 . 1 1 13 13 ALA CB C 13 19.377 19.377 20.077 -0.700 18834 8305 1 17 . 1 1 13 13 ALA H H 13 8.494 8.494 8.562 -0.068 18834 8306 1 17 . 1 1 14 14 LYS N N 14 120.000 120.000 119.970 0.030 18834 8307 1 17 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.139 -0.387 18834 8308 1 17 . 1 1 14 14 LYS C C 14 176.313 176.313 176.301 0.012 18834 8309 1 17 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.414 0.348 18834 8310 1 17 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.179 1.290 18834 8311 1 17 . 1 1 14 14 LYS H H 14 8.496 8.496 8.034 0.462 18834 8312 1 17 . 1 1 15 15 ASN N N 15 117.473 117.473 117.166 0.307 18834 8313 1 17 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.467 0.450 18834 8314 1 17 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.616 -1.129 18834 8315 1 17 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.357 2.327 18834 8316 1 17 . 1 1 15 15 ASN H H 15 8.079 8.079 8.316 -0.237 18834 8317 1 17 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.288 -0.029 18834 8318 1 17 . 1 1 16 16 ASP C C 16 175.515 175.515 175.682 -0.167 18834 8319 1 17 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.083 0.437 18834 8320 1 17 . 1 1 16 16 ASP CB C 16 39.303 39.303 39.320 -0.017 18834 8321 1 17 . 1 1 17 17 ASN N N 17 110.160 110.160 110.309 -0.149 18834 8322 1 17 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.293 -0.061 18834 8323 1 17 . 1 1 17 17 ASN C C 17 174.550 174.550 174.667 -0.117 18834 8324 1 17 . 1 1 17 17 ASN CA C 17 54.349 54.349 54.857 -0.508 18834 8325 1 17 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.273 0.182 18834 8326 1 17 . 1 1 17 17 ASN H H 17 8.959 8.959 8.829 0.130 18834 8327 1 17 . 1 1 18 18 SER N N 18 112.013 112.013 115.477 -3.464 18834 8328 1 17 . 1 1 18 18 SER HA H 18 4.976 4.976 4.598 0.378 18834 8329 1 17 . 1 1 18 18 SER CA C 18 56.519 56.519 58.018 -1.499 18834 8330 1 17 . 1 1 18 18 SER CB C 18 65.053 65.053 63.950 1.103 18834 8331 1 17 . 1 1 18 18 SER H H 18 7.892 7.892 7.519 0.373 18834 8332 1 17 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.737 -0.481 18834 8333 1 17 . 1 1 19 19 LEU C C 19 176.996 176.996 177.155 -0.159 18834 8334 1 17 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.423 1.522 18834 8335 1 17 . 1 1 19 19 LEU CB C 19 43.178 43.178 43.111 0.068 18834 8336 1 17 . 1 1 20 20 GLY N N 20 105.651 105.651 105.715 -0.064 18834 8337 1 17 . 1 1 20 20 GLY C C 20 176.218 176.218 173.790 2.428 18834 8338 1 17 . 1 1 20 20 GLY CA C 20 46.868 46.868 44.825 2.043 18834 8339 1 17 . 1 1 20 20 GLY H H 20 8.804 8.804 8.191 0.613 18834 8340 1 17 . 1 1 21 21 ILE N N 21 115.348 115.348 119.570 -4.222 18834 8341 1 17 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.295 0.547 18834 8342 1 17 . 1 1 21 21 ILE C C 21 175.987 175.987 174.932 1.055 18834 8343 1 17 . 1 1 21 21 ILE CA C 21 59.795 59.795 60.299 -0.504 18834 8344 1 17 . 1 1 21 21 ILE CB C 21 42.334 42.334 39.586 2.748 18834 8345 1 17 . 1 1 21 21 ILE H H 21 7.775 7.775 7.555 0.220 18834 8346 1 17 . 1 1 22 22 CYS N N 22 123.503 123.503 120.500 3.003 18834 8347 1 17 . 1 1 22 22 CYS C C 22 176.187 176.187 172.758 3.429 18834 8348 1 17 . 1 1 22 22 CYS CA C 22 53.779 53.779 57.611 -3.832 18834 8349 1 17 . 1 1 22 22 CYS CB C 22 36.527 36.527 30.180 6.346 18834 8350 1 17 . 1 1 22 22 CYS H H 22 8.533 8.533 8.307 0.226 18834 8351 1 17 . 1 1 23 23 VAL N N 23 114.882 114.882 117.789 -2.907 18834 8352 1 17 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.224 0.224 18834 8353 1 17 . 1 1 23 23 VAL C C 23 174.219 174.219 174.052 0.167 18834 8354 1 17 . 1 1 23 23 VAL CA C 23 59.422 59.422 59.642 -0.220 18834 8355 1 17 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.253 -0.159 18834 8356 1 17 . 1 1 23 23 VAL H H 23 7.720 7.720 8.177 -0.457 18834 8357 1 17 . 1 1 24 24 THR N N 24 115.462 115.462 113.479 1.983 18834 8358 1 17 . 1 1 24 24 THR HA H 24 4.691 4.691 4.412 0.279 18834 8359 1 17 . 1 1 24 24 THR C C 24 171.649 171.649 173.201 -1.552 18834 8360 1 17 . 1 1 24 24 THR CA C 24 59.560 59.560 60.006 -0.446 18834 8361 1 17 . 1 1 24 24 THR CB C 24 70.573 70.573 69.692 0.881 18834 8362 1 17 . 1 1 24 24 THR H H 24 9.175 9.175 8.149 1.026 18834 8363 1 17 . 1 1 25 25 GLY N N 25 111.734 111.734 110.947 0.787 18834 8364 1 17 . 1 1 25 25 GLY C C 25 174.216 174.216 173.775 0.441 18834 8365 1 17 . 1 1 25 25 GLY CA C 25 44.664 44.664 45.106 -0.442 18834 8366 1 17 . 1 1 25 25 GLY H H 25 8.323 8.323 8.661 -0.338 18834 8367 1 17 . 1 1 26 26 GLY N N 26 107.524 107.524 108.540 -1.016 18834 8368 1 17 . 1 1 26 26 GLY C C 26 176.306 176.306 174.805 1.501 18834 8369 1 17 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.488 -1.718 18834 8370 1 17 . 1 1 26 26 GLY H H 26 7.541 7.541 7.872 -0.331 18834 8371 1 17 . 1 1 27 27 VAL N N 27 116.903 116.903 121.984 -5.081 18834 8372 1 17 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.107 0.021 18834 8373 1 17 . 1 1 27 27 VAL C C 27 175.716 175.716 176.606 -0.890 18834 8374 1 17 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.911 0.983 18834 8375 1 17 . 1 1 27 27 VAL CB C 27 31.963 31.963 30.954 1.009 18834 8376 1 17 . 1 1 27 27 VAL H H 27 8.055 8.055 8.141 -0.086 18834 8377 1 17 . 1 1 28 28 ASN N N 28 117.840 117.840 113.150 4.690 18834 8378 1 17 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.481 0.322 18834 8379 1 17 . 1 1 28 28 ASN C C 28 174.846 174.846 174.978 -0.132 18834 8380 1 17 . 1 1 28 28 ASN CA C 28 53.480 53.480 53.810 -0.330 18834 8381 1 17 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.504 0.250 18834 8382 1 17 . 1 1 28 28 ASN H H 28 8.779 8.779 8.464 0.315 18834 8383 1 17 . 1 1 29 29 THR N N 29 111.408 111.408 110.862 0.546 18834 8384 1 17 . 1 1 29 29 THR HA H 29 4.690 4.690 4.251 0.439 18834 8385 1 17 . 1 1 29 29 THR CA C 29 61.624 61.624 62.297 -0.673 18834 8386 1 17 . 1 1 29 29 THR CB C 29 70.939 70.939 68.963 1.976 18834 8387 1 17 . 1 1 29 29 THR H H 29 7.857 7.857 7.585 0.272 18834 8388 1 17 . 1 1 30 30 SER N N 30 113.816 113.816 114.331 -0.515 18834 8389 1 17 . 1 1 30 30 SER HA H 30 4.537 4.537 4.106 0.431 18834 8390 1 17 . 1 1 30 30 SER C C 30 174.867 174.867 174.953 -0.086 18834 8391 1 17 . 1 1 30 30 SER CA C 30 58.369 58.369 60.069 -1.700 18834 8392 1 17 . 1 1 30 30 SER CB C 30 63.547 63.547 62.692 0.855 18834 8393 1 17 . 1 1 30 30 SER H H 30 8.438 8.438 8.503 -0.065 18834 8394 1 17 . 1 1 31 31 VAL N N 31 118.013 118.013 117.135 0.878 18834 8395 1 17 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.699 0.399 18834 8396 1 17 . 1 1 31 31 VAL C C 31 176.528 176.528 176.376 0.152 18834 8397 1 17 . 1 1 31 31 VAL CA C 31 62.070 62.070 62.569 -0.499 18834 8398 1 17 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.164 0.343 18834 8399 1 17 . 1 1 31 31 VAL H H 31 7.567 7.567 7.620 -0.053 18834 8400 1 17 . 1 1 32 32 ARG N N 32 124.719 124.719 127.261 -2.542 18834 8401 1 17 . 1 1 32 32 ARG HA H 32 4.007 4.007 3.937 0.070 18834 8402 1 17 . 1 1 32 32 ARG CA C 32 58.009 58.009 59.176 -1.167 18834 8403 1 17 . 1 1 32 32 ARG CB C 32 29.571 29.571 30.105 -0.534 18834 8404 1 17 . 1 1 32 32 ARG H H 32 8.501 8.501 8.379 0.122 18834 8405 1 17 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.483 0.094 18834 8406 1 17 . 1 1 33 33 HIS C C 33 175.064 175.064 174.977 0.087 18834 8407 1 17 . 1 1 33 33 HIS CA C 33 56.814 56.814 56.654 0.160 18834 8408 1 17 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.519 -1.428 18834 8409 1 17 . 1 1 34 34 GLY N N 34 109.357 109.357 106.634 2.723 18834 8410 1 17 . 1 1 34 34 GLY C C 34 174.616 174.616 173.379 1.237 18834 8411 1 17 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.132 1.462 18834 8412 1 17 . 1 1 34 34 GLY H H 34 8.469 8.469 8.394 0.075 18834 8413 1 17 . 1 1 35 35 GLY N N 35 104.989 104.989 105.895 -0.906 18834 8414 1 17 . 1 1 35 35 GLY C C 35 170.518 170.518 172.762 -2.244 18834 8415 1 17 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.897 0.744 18834 8416 1 17 . 1 1 35 35 GLY H H 35 7.787 7.787 7.732 0.055 18834 8417 1 17 . 1 1 36 36 ILE N N 36 119.808 119.808 120.696 -0.888 18834 8418 1 17 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.766 -0.020 18834 8419 1 17 . 1 1 36 36 ILE C C 36 174.616 174.616 174.906 -0.290 18834 8420 1 17 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.464 -3.509 18834 8421 1 17 . 1 1 36 36 ILE CB C 36 35.618 35.618 39.384 -3.766 18834 8422 1 17 . 1 1 36 36 ILE H H 36 8.362 8.362 7.940 0.422 18834 8423 1 17 . 1 1 37 37 TYR N N 37 123.168 123.168 127.137 -3.969 18834 8424 1 17 . 1 1 37 37 TYR HA H 37 5.268 5.268 5.022 0.246 18834 8425 1 17 . 1 1 37 37 TYR C C 37 176.069 176.069 176.432 -0.363 18834 8426 1 17 . 1 1 37 37 TYR CA C 37 55.959 55.959 56.392 -0.433 18834 8427 1 17 . 1 1 37 37 TYR CB C 37 42.436 42.436 40.885 1.551 18834 8428 1 17 . 1 1 37 37 TYR H H 37 8.904 8.904 8.903 0.001 18834 8429 1 17 . 1 1 38 38 VAL N N 38 120.273 120.273 122.586 -2.313 18834 8430 1 17 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.030 -0.231 18834 8431 1 17 . 1 1 38 38 VAL C C 38 175.886 175.886 176.484 -0.598 18834 8432 1 17 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.837 1.247 18834 8433 1 17 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.716 0.728 18834 8434 1 17 . 1 1 38 38 VAL H H 38 9.230 9.230 9.012 0.218 18834 8435 1 17 . 1 1 39 39 LYS N N 39 133.619 133.619 130.616 3.003 18834 8436 1 17 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.178 0.211 18834 8437 1 17 . 1 1 39 39 LYS C C 39 174.763 174.763 175.858 -1.095 18834 8438 1 17 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.777 -1.241 18834 8439 1 17 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.208 1.331 18834 8440 1 17 . 1 1 39 39 LYS H H 39 9.584 9.584 8.405 1.179 18834 8441 1 17 . 1 1 40 40 ALA N N 40 117.459 117.459 119.023 -1.564 18834 8442 1 17 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.528 -0.024 18834 8443 1 17 . 1 1 40 40 ALA C C 40 174.686 174.686 174.605 0.081 18834 8444 1 17 . 1 1 40 40 ALA CA C 40 51.897 51.897 52.002 -0.105 18834 8445 1 17 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.807 0.438 18834 8446 1 17 . 1 1 40 40 ALA H H 40 7.584 7.584 7.343 0.241 18834 8447 1 17 . 1 1 41 41 VAL N N 41 120.599 120.599 121.931 -1.332 18834 8448 1 17 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.398 -0.019 18834 8449 1 17 . 1 1 41 41 VAL C C 41 175.714 175.714 175.704 0.010 18834 8450 1 17 . 1 1 41 41 VAL CA C 41 61.149 61.149 60.998 0.151 18834 8451 1 17 . 1 1 41 41 VAL CB C 41 32.506 32.506 33.945 -1.439 18834 8452 1 17 . 1 1 41 41 VAL H H 41 8.747 8.747 8.485 0.262 18834 8453 1 17 . 1 1 42 42 ILE N N 42 127.775 127.775 124.622 3.153 18834 8454 1 17 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.567 -0.440 18834 8455 1 17 . 1 1 42 42 ILE CA C 42 58.826 58.826 56.954 1.872 18834 8456 1 17 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.288 0.928 18834 8457 1 17 . 1 1 42 42 ILE H H 42 7.827 7.827 8.332 -0.505 18834 8458 1 17 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.499 -0.024 18834 8459 1 17 . 1 1 43 43 PRO C C 43 177.234 177.234 176.689 0.545 18834 8460 1 17 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.667 1.510 18834 8461 1 17 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.932 -1.131 18834 8462 1 17 . 1 1 44 44 GLN N N 44 116.932 116.932 114.495 2.437 18834 8463 1 17 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.982 -0.134 18834 8464 1 17 . 1 1 44 44 GLN C C 44 175.628 175.628 175.409 0.219 18834 8465 1 17 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.273 0.868 18834 8466 1 17 . 1 1 44 44 GLN CB C 44 26.441 26.441 28.437 -1.996 18834 8467 1 17 . 1 1 44 44 GLN H H 44 9.388 9.388 8.691 0.697 18834 8468 1 17 . 1 1 45 45 GLY N N 45 106.131 106.131 104.423 1.708 18834 8469 1 17 . 1 1 45 45 GLY C C 45 174.404 174.404 173.725 0.679 18834 8470 1 17 . 1 1 45 45 GLY CA C 45 44.658 44.658 43.727 0.931 18834 8471 1 17 . 1 1 45 45 GLY H H 45 7.875 7.875 7.275 0.600 18834 8472 1 17 . 1 1 46 46 ALA N N 46 121.011 121.011 123.010 -1.999 18834 8473 1 17 . 1 1 46 46 ALA HA H 46 4.051 4.051 3.992 0.059 18834 8474 1 17 . 1 1 46 46 ALA C C 46 180.673 180.673 179.007 1.666 18834 8475 1 17 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.179 -0.134 18834 8476 1 17 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.434 0.074 18834 8477 1 17 . 1 1 46 46 ALA H H 46 9.017 9.017 8.894 0.123 18834 8478 1 17 . 1 1 47 47 ALA N N 47 118.848 118.848 121.671 -2.823 18834 8479 1 17 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.894 0.174 18834 8480 1 17 . 1 1 47 47 ALA C C 47 180.699 180.699 179.761 0.938 18834 8481 1 17 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.189 -0.272 18834 8482 1 17 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.865 0.765 18834 8483 1 17 . 1 1 47 47 ALA H H 47 7.754 7.754 8.336 -0.582 18834 8484 1 17 . 1 1 48 48 GLU N N 48 124.400 124.400 119.216 5.184 18834 8485 1 17 . 1 1 48 48 GLU HA H 48 3.823 3.823 3.959 -0.136 18834 8486 1 17 . 1 1 48 48 GLU C C 48 178.174 178.174 178.807 -0.633 18834 8487 1 17 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.482 1.427 18834 8488 1 17 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.253 0.506 18834 8489 1 17 . 1 1 48 48 GLU H H 48 9.317 9.317 8.341 0.976 18834 8490 1 17 . 1 1 49 49 SER N N 49 113.388 113.388 113.540 -0.152 18834 8491 1 17 . 1 1 49 49 SER HA H 49 4.100 4.100 4.201 -0.101 18834 8492 1 17 . 1 1 49 49 SER C C 49 175.693 175.693 176.287 -0.594 18834 8493 1 17 . 1 1 49 49 SER CA C 49 61.233 61.233 60.637 0.596 18834 8494 1 17 . 1 1 49 49 SER CB C 49 62.780 62.780 63.302 -0.522 18834 8495 1 17 . 1 1 49 49 SER H H 49 8.115 8.115 8.135 -0.020 18834 8496 1 17 . 1 1 50 50 ASP N N 50 120.047 120.047 119.040 1.007 18834 8497 1 17 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.732 -0.354 18834 8498 1 17 . 1 1 50 50 ASP C C 50 177.650 177.650 176.674 0.976 18834 8499 1 17 . 1 1 50 50 ASP CA C 50 57.214 57.214 53.670 3.544 18834 8500 1 17 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.574 2.667 18834 8501 1 17 . 1 1 50 50 ASP H H 50 7.609 7.609 8.125 -0.516 18834 8502 1 17 . 1 1 51 51 GLY N N 51 102.979 102.979 108.821 -5.842 18834 8503 1 17 . 1 1 51 51 GLY C C 51 174.977 174.977 175.147 -0.170 18834 8504 1 17 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.583 0.769 18834 8505 1 17 . 1 1 51 51 GLY H H 51 7.372 7.372 7.931 -0.559 18834 8506 1 17 . 1 1 52 52 ARG N N 52 117.579 117.579 118.162 -0.583 18834 8507 1 17 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.578 -0.264 18834 8508 1 17 . 1 1 52 52 ARG C C 52 175.886 175.886 175.390 0.496 18834 8509 1 17 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.040 2.854 18834 8510 1 17 . 1 1 52 52 ARG CB C 52 33.246 33.246 30.430 2.816 18834 8511 1 17 . 1 1 52 52 ARG H H 52 7.966 7.966 7.740 0.226 18834 8512 1 17 . 1 1 53 53 ILE N N 53 120.155 120.155 118.616 1.539 18834 8513 1 17 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.279 -0.043 18834 8514 1 17 . 1 1 53 53 ILE C C 53 173.773 173.773 173.454 0.319 18834 8515 1 17 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.099 1.306 18834 8516 1 17 . 1 1 53 53 ILE CB C 53 39.641 39.641 42.081 -2.439 18834 8517 1 17 . 1 1 53 53 ILE H H 53 8.225 8.225 7.392 0.833 18834 8518 1 17 . 1 1 54 54 HIS N N 54 123.751 123.751 120.739 3.012 18834 8519 1 17 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.903 -0.113 18834 8520 1 17 . 1 1 54 54 HIS C C 54 173.696 173.696 174.762 -1.066 18834 8521 1 17 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.833 0.011 18834 8522 1 17 . 1 1 54 54 HIS CB C 54 33.566 33.566 33.657 -0.090 18834 8523 1 17 . 1 1 54 54 HIS H H 54 9.061 9.061 8.492 0.569 18834 8524 1 17 . 1 1 55 55 LYS N N 55 120.590 120.590 120.533 0.057 18834 8525 1 17 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.274 -0.648 18834 8526 1 17 . 1 1 55 55 LYS C C 55 176.916 176.916 177.622 -0.706 18834 8527 1 17 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.610 0.694 18834 8528 1 17 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.729 -0.308 18834 8529 1 17 . 1 1 55 55 LYS H H 55 8.670 8.670 8.533 0.137 18834 8530 1 17 . 1 1 56 56 GLY N N 56 114.645 114.645 112.148 2.497 18834 8531 1 17 . 1 1 56 56 GLY C C 56 174.438 174.438 175.056 -0.618 18834 8532 1 17 . 1 1 56 56 GLY CA C 56 44.762 44.762 45.044 -0.282 18834 8533 1 17 . 1 1 56 56 GLY H H 56 9.201 9.201 8.958 0.243 18834 8534 1 17 . 1 1 57 57 ASP N N 57 121.982 121.982 123.972 -1.990 18834 8535 1 17 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.753 0.134 18834 8536 1 17 . 1 1 57 57 ASP C C 57 174.623 174.623 174.460 0.163 18834 8537 1 17 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.435 0.401 18834 8538 1 17 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.331 -0.248 18834 8539 1 17 . 1 1 57 57 ASP H H 57 8.058 8.058 7.731 0.327 18834 8540 1 17 . 1 1 58 58 ARG N N 58 123.240 123.240 120.585 2.655 18834 8541 1 17 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.551 0.064 18834 8542 1 17 . 1 1 58 58 ARG C C 58 175.573 175.573 174.916 0.657 18834 8543 1 17 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.660 -0.139 18834 8544 1 17 . 1 1 58 58 ARG CB C 58 33.701 33.701 32.822 0.879 18834 8545 1 17 . 1 1 58 58 ARG H H 58 9.078 9.078 8.418 0.660 18834 8546 1 17 . 1 1 59 59 VAL N N 59 126.202 126.202 125.046 1.156 18834 8547 1 17 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.332 -0.469 18834 8548 1 17 . 1 1 59 59 VAL C C 59 174.458 174.458 175.361 -0.903 18834 8549 1 17 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.653 -0.450 18834 8550 1 17 . 1 1 59 59 VAL CB C 59 30.998 30.998 31.762 -0.764 18834 8551 1 17 . 1 1 59 59 VAL H H 59 8.897 8.897 8.708 0.189 18834 8552 1 17 . 1 1 60 60 LEU N N 60 127.163 127.163 128.783 -1.620 18834 8553 1 17 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.327 -0.031 18834 8554 1 17 . 1 1 60 60 LEU C C 60 178.289 178.289 176.263 2.026 18834 8555 1 17 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.596 -0.542 18834 8556 1 17 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.739 -0.127 18834 8557 1 17 . 1 1 60 60 LEU H H 60 9.213 9.213 8.614 0.599 18834 8558 1 17 . 1 1 61 61 ALA N N 61 118.886 118.886 117.243 1.643 18834 8559 1 17 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.129 -0.175 18834 8560 1 17 . 1 1 61 61 ALA C C 61 175.288 175.288 175.227 0.061 18834 8561 1 17 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.588 1.691 18834 8562 1 17 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.359 -0.263 18834 8563 1 17 . 1 1 61 61 ALA H H 61 7.741 7.741 7.317 0.424 18834 8564 1 17 . 1 1 62 62 VAL N N 62 119.929 119.929 120.249 -0.320 18834 8565 1 17 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.576 -0.126 18834 8566 1 17 . 1 1 62 62 VAL C C 62 175.323 175.323 176.363 -1.040 18834 8567 1 17 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.678 -0.260 18834 8568 1 17 . 1 1 62 62 VAL CB C 62 34.050 34.050 34.216 -0.166 18834 8569 1 17 . 1 1 62 62 VAL H H 62 8.256 8.256 8.571 -0.315 18834 8570 1 17 . 1 1 63 63 ASN N N 63 128.933 128.933 126.606 2.327 18834 8571 1 17 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.340 0.205 18834 8572 1 17 . 1 1 63 63 ASN C C 63 175.197 175.197 175.270 -0.073 18834 8573 1 17 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.365 -0.197 18834 8574 1 17 . 1 1 63 63 ASN CB C 63 36.896 36.896 38.167 -1.271 18834 8575 1 17 . 1 1 63 63 ASN H H 63 10.392 10.392 9.475 0.917 18834 8576 1 17 . 1 1 64 64 GLY N N 64 103.413 103.413 102.262 1.151 18834 8577 1 17 . 1 1 64 64 GLY C C 64 173.872 173.872 174.293 -0.421 18834 8578 1 17 . 1 1 64 64 GLY CA C 64 45.171 45.171 45.011 0.160 18834 8579 1 17 . 1 1 64 64 GLY H H 64 9.085 9.085 8.497 0.588 18834 8580 1 17 . 1 1 65 65 VAL N N 65 123.643 123.643 123.861 -0.218 18834 8581 1 17 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.135 -0.187 18834 8582 1 17 . 1 1 65 65 VAL C C 65 175.645 175.645 175.633 0.012 18834 8583 1 17 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.363 0.773 18834 8584 1 17 . 1 1 65 65 VAL CB C 65 31.640 31.640 32.230 -0.590 18834 8585 1 17 . 1 1 65 65 VAL H H 65 8.028 8.028 7.832 0.196 18834 8586 1 17 . 1 1 66 66 SER N N 66 120.923 120.923 124.114 -3.191 18834 8587 1 17 . 1 1 66 66 SER HA H 66 4.334 4.334 4.146 0.188 18834 8588 1 17 . 1 1 66 66 SER C C 66 176.388 176.388 173.883 2.505 18834 8589 1 17 . 1 1 66 66 SER CA C 66 58.342 58.342 59.904 -1.562 18834 8590 1 17 . 1 1 66 66 SER CB C 66 63.562 63.562 63.299 0.263 18834 8591 1 17 . 1 1 66 66 SER H H 66 8.647 8.647 8.779 -0.132 18834 8592 1 17 . 1 1 67 67 LEU N N 67 125.116 125.116 126.220 -1.104 18834 8593 1 17 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.596 -0.158 18834 8594 1 17 . 1 1 67 67 LEU C C 67 176.462 176.462 176.421 0.041 18834 8595 1 17 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.431 -0.699 18834 8596 1 17 . 1 1 67 67 LEU CB C 67 40.890 40.890 43.063 -2.174 18834 8597 1 17 . 1 1 67 67 LEU H H 67 8.292 8.292 9.018 -0.726 18834 8598 1 17 . 1 1 68 68 GLU N N 68 123.552 123.552 119.057 4.495 18834 8599 1 17 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.044 -0.009 18834 8600 1 17 . 1 1 68 68 GLU C C 68 177.767 177.767 176.931 0.836 18834 8601 1 17 . 1 1 68 68 GLU CA C 68 58.571 58.571 57.477 1.094 18834 8602 1 17 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.108 -0.056 18834 8603 1 17 . 1 1 68 68 GLU H H 68 8.305 8.305 7.607 0.698 18834 8604 1 17 . 1 1 69 69 GLY N N 69 115.496 115.496 113.215 2.281 18834 8605 1 17 . 1 1 69 69 GLY C C 69 173.618 173.618 174.272 -0.654 18834 8606 1 17 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.925 0.471 18834 8607 1 17 . 1 1 69 69 GLY H H 69 8.977 8.977 8.595 0.382 18834 8608 1 17 . 1 1 70 70 ALA N N 70 121.999 121.999 123.621 -1.622 18834 8609 1 17 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.590 -0.088 18834 8610 1 17 . 1 1 70 70 ALA C C 70 179.820 179.820 176.148 3.672 18834 8611 1 17 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.602 0.813 18834 8612 1 17 . 1 1 70 70 ALA CB C 70 19.638 19.638 19.601 0.038 18834 8613 1 17 . 1 1 70 70 ALA H H 70 7.807 7.807 7.906 -0.099 18834 8614 1 17 . 1 1 71 71 THR N N 71 111.294 111.294 112.233 -0.939 18834 8615 1 17 . 1 1 71 71 THR HA H 71 4.515 4.515 4.372 0.143 18834 8616 1 17 . 1 1 71 71 THR C C 71 174.717 174.717 175.847 -1.130 18834 8617 1 17 . 1 1 71 71 THR CA C 71 60.692 60.692 60.133 0.559 18834 8618 1 17 . 1 1 71 71 THR CB C 71 71.274 71.274 70.688 0.586 18834 8619 1 17 . 1 1 71 71 THR H H 71 8.222 8.222 7.894 0.328 18834 8620 1 17 . 1 1 72 72 HIS N N 72 121.871 121.871 121.143 0.728 18834 8621 1 17 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.179 -0.319 18834 8622 1 17 . 1 1 72 72 HIS C C 72 176.702 176.702 177.443 -0.741 18834 8623 1 17 . 1 1 72 72 HIS CA C 72 61.983 61.983 60.487 1.496 18834 8624 1 17 . 1 1 72 72 HIS CB C 72 30.047 30.047 30.003 0.044 18834 8625 1 17 . 1 1 72 72 HIS H H 72 9.217 9.217 8.999 0.218 18834 8626 1 17 . 1 1 73 73 LYS N N 73 116.941 116.941 117.962 -1.021 18834 8627 1 17 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.957 -0.133 18834 8628 1 17 . 1 1 73 73 LYS C C 73 178.288 178.288 178.978 -0.690 18834 8629 1 17 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.921 -0.571 18834 8630 1 17 . 1 1 73 73 LYS CB C 73 32.811 32.811 32.200 0.612 18834 8631 1 17 . 1 1 73 73 LYS H H 73 8.429 8.429 8.426 0.003 18834 8632 1 17 . 1 1 74 74 GLN N N 74 116.915 116.915 118.852 -1.937 18834 8633 1 17 . 1 1 74 74 GLN HA H 74 3.869 3.869 4.113 -0.244 18834 8634 1 17 . 1 1 74 74 GLN C C 74 179.732 179.732 178.295 1.437 18834 8635 1 17 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.455 0.144 18834 8636 1 17 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.034 0.317 18834 8637 1 17 . 1 1 74 74 GLN H H 74 7.660 7.660 7.900 -0.240 18834 8638 1 17 . 1 1 75 75 ALA N N 75 122.673 122.673 122.797 -0.124 18834 8639 1 17 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.920 -0.132 18834 8640 1 17 . 1 1 75 75 ALA C C 75 179.078 179.078 179.487 -0.409 18834 8641 1 17 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.275 0.291 18834 8642 1 17 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.298 0.553 18834 8643 1 17 . 1 1 75 75 ALA H H 75 8.379 8.379 8.164 0.215 18834 8644 1 17 . 1 1 76 76 VAL N N 76 112.831 112.831 118.000 -5.169 18834 8645 1 17 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.731 -0.226 18834 8646 1 17 . 1 1 76 76 VAL CA C 76 65.895 65.895 65.999 -0.103 18834 8647 1 17 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.346 -0.655 18834 8648 1 17 . 1 1 76 76 VAL H H 76 8.239 8.239 7.596 0.643 18834 8649 1 17 . 1 1 77 77 CYS C C 77 177.150 177.150 177.624 -0.474 18834 8650 1 17 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.955 -3.564 18834 8651 1 17 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.581 10.200 18834 8652 1 17 . 1 1 78 78 THR N N 78 117.507 117.507 115.748 1.759 18834 8653 1 17 . 1 1 78 78 THR HA H 78 3.858 3.858 4.095 -0.237 18834 8654 1 17 . 1 1 78 78 THR C C 78 176.460 176.460 175.695 0.765 18834 8655 1 17 . 1 1 78 78 THR CA C 78 67.123 67.123 66.013 1.109 18834 8656 1 17 . 1 1 78 78 THR CB C 78 68.123 68.123 68.873 -0.750 18834 8657 1 17 . 1 1 78 78 THR H H 78 8.015 8.015 8.152 -0.137 18834 8658 1 17 . 1 1 79 79 LEU N N 79 119.666 119.666 120.217 -0.551 18834 8659 1 17 . 1 1 79 79 LEU HA H 79 3.750 3.750 4.114 -0.364 18834 8660 1 17 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.607 0.583 18834 8661 1 17 . 1 1 79 79 LEU CB C 79 42.072 42.072 42.189 -0.117 18834 8662 1 17 . 1 1 79 79 LEU H H 79 7.984 7.984 7.769 0.215 18834 8663 1 17 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.066 0.131 18834 8664 1 17 . 1 1 80 80 ARG C C 80 177.750 177.750 178.253 -0.503 18834 8665 1 17 . 1 1 80 80 ARG CA C 80 58.307 58.307 59.169 -0.862 18834 8666 1 17 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.593 -0.501 18834 8667 1 17 . 1 1 81 81 ASN N N 81 119.843 119.843 119.280 0.563 18834 8668 1 17 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.639 0.345 18834 8669 1 17 . 1 1 81 81 ASN C C 81 174.819 174.819 174.532 0.287 18834 8670 1 17 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.654 -0.541 18834 8671 1 17 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.337 0.331 18834 8672 1 17 . 1 1 81 81 ASN H H 81 7.648 7.648 7.866 -0.218 18834 8673 1 17 . 1 1 82 82 THR N N 82 109.907 109.907 111.527 -1.620 18834 8674 1 17 . 1 1 82 82 THR HA H 82 4.447 4.447 4.736 -0.289 18834 8675 1 17 . 1 1 82 82 THR C C 82 175.114 175.114 174.463 0.651 18834 8676 1 17 . 1 1 82 82 THR CA C 82 59.944 59.944 59.951 -0.007 18834 8677 1 17 . 1 1 82 82 THR CB C 82 72.611 72.611 72.297 0.314 18834 8678 1 17 . 1 1 82 82 THR H H 82 7.668 7.668 7.886 -0.218 18834 8679 1 17 . 1 1 83 83 GLY N N 83 109.505 109.505 107.096 2.409 18834 8680 1 17 . 1 1 83 83 GLY C C 83 173.467 173.467 174.745 -1.278 18834 8681 1 17 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.332 -0.240 18834 8682 1 17 . 1 1 83 83 GLY H H 83 8.421 8.421 8.582 -0.161 18834 8683 1 17 . 1 1 84 84 GLN N N 84 117.276 117.276 119.106 -1.830 18834 8684 1 17 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.424 -0.461 18834 8685 1 17 . 1 1 84 84 GLN C C 84 175.254 175.254 176.255 -1.001 18834 8686 1 17 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.214 0.229 18834 8687 1 17 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.274 -0.301 18834 8688 1 17 . 1 1 84 84 GLN H H 84 8.224 8.224 8.475 -0.251 18834 8689 1 17 . 1 1 85 85 VAL N N 85 116.186 116.186 115.706 0.480 18834 8690 1 17 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.267 0.387 18834 8691 1 17 . 1 1 85 85 VAL C C 85 175.879 175.879 175.079 0.800 18834 8692 1 17 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.383 -0.085 18834 8693 1 17 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.458 -0.328 18834 8694 1 17 . 1 1 85 85 VAL H H 85 7.699 7.699 7.675 0.024 18834 8695 1 17 . 1 1 86 86 VAL N N 86 128.499 128.499 123.498 5.001 18834 8696 1 17 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.458 -0.011 18834 8697 1 17 . 1 1 86 86 VAL C C 86 173.365 173.365 174.590 -1.225 18834 8698 1 17 . 1 1 86 86 VAL CA C 86 60.965 60.965 60.372 0.593 18834 8699 1 17 . 1 1 86 86 VAL CB C 86 34.987 34.987 35.290 -0.303 18834 8700 1 17 . 1 1 86 86 VAL H H 86 9.043 9.043 8.940 0.103 18834 8701 1 17 . 1 1 87 87 HIS N N 87 126.357 126.357 124.283 2.074 18834 8702 1 17 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.404 -0.408 18834 8703 1 17 . 1 1 87 87 HIS C C 87 174.387 174.387 174.778 -0.391 18834 8704 1 17 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.921 0.881 18834 8705 1 17 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.004 0.175 18834 8706 1 17 . 1 1 87 87 HIS H H 87 8.855 8.855 8.819 0.036 18834 8707 1 17 . 1 1 88 88 LEU N N 88 126.780 126.780 121.289 5.491 18834 8708 1 17 . 1 1 88 88 LEU HA H 88 4.960 4.960 5.230 -0.270 18834 8709 1 17 . 1 1 88 88 LEU C C 88 173.365 173.365 174.947 -1.582 18834 8710 1 17 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.684 -0.190 18834 8711 1 17 . 1 1 88 88 LEU CB C 88 45.187 45.187 43.593 1.594 18834 8712 1 17 . 1 1 88 88 LEU H H 88 9.016 9.016 8.068 0.948 18834 8713 1 17 . 1 1 89 89 LEU N N 89 124.435 124.435 123.573 0.862 18834 8714 1 17 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.749 -0.028 18834 8715 1 17 . 1 1 89 89 LEU C C 89 175.213 175.213 176.451 -1.238 18834 8716 1 17 . 1 1 89 89 LEU CA C 89 53.661 53.661 53.993 -0.332 18834 8717 1 17 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.024 3.367 18834 8718 1 17 . 1 1 89 89 LEU H H 89 7.965 7.965 8.392 -0.427 18834 8719 1 17 . 1 1 90 90 LEU N N 90 127.444 127.444 121.940 5.504 18834 8720 1 17 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.087 0.196 18834 8721 1 17 . 1 1 90 90 LEU C C 90 173.560 173.560 175.813 -2.253 18834 8722 1 17 . 1 1 90 90 LEU CA C 90 54.088 54.088 51.988 2.100 18834 8723 1 17 . 1 1 90 90 LEU CB C 90 45.956 45.956 42.888 3.068 18834 8724 1 17 . 1 1 90 90 LEU H H 90 8.909 8.909 8.330 0.579 18834 8725 1 17 . 1 1 91 91 GLU N N 91 118.954 118.954 120.539 -1.585 18834 8726 1 17 . 1 1 91 91 GLU HA H 91 5.062 5.062 5.030 0.032 18834 8727 1 17 . 1 1 91 91 GLU C C 91 176.652 176.652 176.060 0.592 18834 8728 1 17 . 1 1 91 91 GLU CA C 91 53.787 53.787 53.956 -0.169 18834 8729 1 17 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.413 0.433 18834 8730 1 17 . 1 1 91 91 GLU H H 91 8.813 8.813 8.849 -0.036 18834 8731 1 17 . 1 1 92 92 LYS N N 92 129.055 129.055 126.980 2.075 18834 8732 1 17 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.457 -0.070 18834 8733 1 17 . 1 1 92 92 LYS C C 92 178.000 178.000 177.821 0.179 18834 8734 1 17 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.367 -0.105 18834 8735 1 17 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.376 -0.305 18834 8736 1 17 . 1 1 92 92 LYS H H 92 9.362 9.362 8.362 1.000 18834 8737 1 17 . 1 1 93 93 GLY N N 93 117.893 117.893 111.739 6.154 18834 8738 1 17 . 1 1 93 93 GLY C C 93 173.147 173.147 175.013 -1.866 18834 8739 1 17 . 1 1 93 93 GLY CA C 93 45.173 45.173 45.215 -0.042 18834 8740 1 17 . 1 1 93 93 GLY H H 93 9.698 9.698 9.697 0.001 18834 8741 1 17 . 1 1 94 94 GLN N N 94 116.797 116.797 120.274 -3.477 18834 8742 1 17 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.079 0.183 18834 8743 1 17 . 1 1 94 94 GLN C C 94 175.942 175.942 176.330 -0.388 18834 8744 1 17 . 1 1 94 94 GLN CA C 94 55.514 55.514 57.694 -2.180 18834 8745 1 17 . 1 1 94 94 GLN CB C 94 29.688 29.688 28.868 0.820 18834 8746 1 17 . 1 1 94 94 GLN H H 94 8.252 8.252 8.518 -0.266 18834 8747 1 17 . 1 1 95 95 SER N N 95 118.117 118.117 114.939 3.178 18834 8748 1 17 . 1 1 95 95 SER HA H 95 4.658 4.658 4.728 -0.070 18834 8749 1 17 . 1 1 95 95 SER CA C 95 56.588 56.588 56.055 0.533 18834 8750 1 17 . 1 1 95 95 SER CB C 95 63.194 63.194 64.285 -1.091 18834 8751 1 17 . 1 1 95 95 SER H H 95 8.377 8.377 7.747 0.630 18834 8752 1 17 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.553 -0.076 18834 8753 1 17 . 1 1 96 96 PRO C C 96 176.291 176.291 176.792 -0.501 18834 8754 1 17 . 1 1 96 96 PRO CA C 96 63.511 63.511 64.051 -0.540 18834 8755 1 17 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.339 -0.386 18834 8756 1 18 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.516 -0.042 18834 8757 1 18 . 1 1 2 2 PRO C C 2 175.857 175.857 176.051 -0.194 18834 8758 1 18 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.236 0.607 18834 8759 1 18 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.487 -0.219 18834 8760 1 18 . 1 1 3 3 LYS N N 3 124.698 124.698 122.801 1.897 18834 8761 1 18 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.802 -0.212 18834 8762 1 18 . 1 1 3 3 LYS CA C 3 53.618 53.618 53.737 -0.119 18834 8763 1 18 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.512 -0.956 18834 8764 1 18 . 1 1 3 3 LYS H H 3 8.952 8.952 9.107 -0.155 18834 8765 1 18 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.133 -0.189 18834 8766 1 18 . 1 1 4 4 PRO C C 4 177.504 177.504 177.418 0.086 18834 8767 1 18 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.163 0.381 18834 8768 1 18 . 1 1 4 4 PRO CB C 4 31.770 31.770 30.785 0.985 18834 8769 1 18 . 1 1 5 5 GLY N N 5 113.728 113.728 114.736 -1.008 18834 8770 1 18 . 1 1 5 5 GLY C C 5 174.146 174.146 174.197 -0.051 18834 8771 1 18 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.791 0.242 18834 8772 1 18 . 1 1 5 5 GLY H H 5 9.011 9.011 8.692 0.319 18834 8773 1 18 . 1 1 6 6 ASP N N 6 121.776 121.776 122.435 -0.659 18834 8774 1 18 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.882 -0.212 18834 8775 1 18 . 1 1 6 6 ASP C C 6 175.673 175.673 175.436 0.237 18834 8776 1 18 . 1 1 6 6 ASP CA C 6 54.918 54.918 54.807 0.111 18834 8777 1 18 . 1 1 6 6 ASP CB C 6 41.446 41.446 41.998 -0.552 18834 8778 1 18 . 1 1 6 6 ASP H H 6 8.468 8.468 8.447 0.021 18834 8779 1 18 . 1 1 7 7 ILE N N 7 121.570 121.570 121.676 -0.106 18834 8780 1 18 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.991 0.340 18834 8781 1 18 . 1 1 7 7 ILE C C 7 176.824 176.824 175.892 0.932 18834 8782 1 18 . 1 1 7 7 ILE CA C 7 59.601 59.601 60.476 -0.875 18834 8783 1 18 . 1 1 7 7 ILE CB C 7 38.254 38.254 39.482 -1.228 18834 8784 1 18 . 1 1 7 7 ILE H H 7 8.362 8.362 8.370 -0.008 18834 8785 1 18 . 1 1 8 8 PHE N N 8 125.816 125.816 124.976 0.840 18834 8786 1 18 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.052 0.020 18834 8787 1 18 . 1 1 8 8 PHE C C 8 171.149 171.149 173.289 -2.140 18834 8788 1 18 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.004 0.525 18834 8789 1 18 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.221 0.091 18834 8790 1 18 . 1 1 8 8 PHE H H 8 9.476 9.476 8.599 0.877 18834 8791 1 18 . 1 1 9 9 GLU N N 9 118.961 118.961 120.504 -1.543 18834 8792 1 18 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.497 0.716 18834 8793 1 18 . 1 1 9 9 GLU C C 9 175.995 175.995 176.017 -0.022 18834 8794 1 18 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.360 -1.371 18834 8795 1 18 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.907 1.521 18834 8796 1 18 . 1 1 9 9 GLU H H 9 8.490 8.490 8.522 -0.032 18834 8797 1 18 . 1 1 10 10 VAL N N 10 119.964 119.964 118.511 1.453 18834 8798 1 18 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.603 -0.466 18834 8799 1 18 . 1 1 10 10 VAL C C 10 173.221 173.221 174.010 -0.789 18834 8800 1 18 . 1 1 10 10 VAL CA C 10 61.091 61.091 60.059 1.032 18834 8801 1 18 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.743 1.023 18834 8802 1 18 . 1 1 10 10 VAL H H 10 8.577 8.577 8.065 0.512 18834 8803 1 18 . 1 1 11 11 GLU N N 11 126.219 126.219 122.561 3.658 18834 8804 1 18 . 1 1 11 11 GLU HA H 11 4.955 4.955 4.788 0.167 18834 8805 1 18 . 1 1 11 11 GLU C C 11 174.538 174.538 175.486 -0.948 18834 8806 1 18 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.563 0.299 18834 8807 1 18 . 1 1 11 11 GLU CB C 11 30.836 30.836 30.550 0.286 18834 8808 1 18 . 1 1 11 11 GLU H H 11 7.794 7.794 8.320 -0.526 18834 8809 1 18 . 1 1 12 12 LEU N N 12 126.212 126.212 126.305 -0.093 18834 8810 1 18 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.654 -0.008 18834 8811 1 18 . 1 1 12 12 LEU C C 12 173.916 173.916 175.442 -1.526 18834 8812 1 18 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.715 -0.578 18834 8813 1 18 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.053 0.073 18834 8814 1 18 . 1 1 12 12 LEU H H 12 8.848 8.848 8.902 -0.054 18834 8815 1 18 . 1 1 13 13 ALA N N 13 126.357 126.357 126.043 0.314 18834 8816 1 18 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.378 0.717 18834 8817 1 18 . 1 1 13 13 ALA C C 13 177.352 177.352 177.276 0.076 18834 8818 1 18 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.960 -2.040 18834 8819 1 18 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.595 -0.218 18834 8820 1 18 . 1 1 13 13 ALA H H 13 8.494 8.494 8.594 -0.100 18834 8821 1 18 . 1 1 14 14 LYS N N 14 120.000 120.000 123.355 -3.355 18834 8822 1 18 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.068 -0.316 18834 8823 1 18 . 1 1 14 14 LYS C C 14 176.313 176.313 176.033 0.280 18834 8824 1 18 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.848 -0.086 18834 8825 1 18 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.143 1.326 18834 8826 1 18 . 1 1 14 14 LYS H H 14 8.496 8.496 8.191 0.305 18834 8827 1 18 . 1 1 15 15 ASN N N 15 117.473 117.473 114.858 2.615 18834 8828 1 18 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.422 0.495 18834 8829 1 18 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.673 -1.187 18834 8830 1 18 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.780 1.904 18834 8831 1 18 . 1 1 15 15 ASN H H 15 8.079 8.079 8.261 -0.182 18834 8832 1 18 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.194 0.065 18834 8833 1 18 . 1 1 16 16 ASP C C 16 175.515 175.515 175.763 -0.248 18834 8834 1 18 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.303 0.216 18834 8835 1 18 . 1 1 16 16 ASP CB C 16 39.303 39.303 40.034 -0.731 18834 8836 1 18 . 1 1 17 17 ASN N N 17 110.160 110.160 110.212 -0.052 18834 8837 1 18 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.301 -0.069 18834 8838 1 18 . 1 1 17 17 ASN C C 17 174.550 174.550 174.508 0.042 18834 8839 1 18 . 1 1 17 17 ASN CA C 17 54.349 54.349 54.899 -0.550 18834 8840 1 18 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.022 0.433 18834 8841 1 18 . 1 1 17 17 ASN H H 17 8.959 8.959 8.806 0.153 18834 8842 1 18 . 1 1 18 18 SER N N 18 112.013 112.013 114.370 -2.357 18834 8843 1 18 . 1 1 18 18 SER HA H 18 4.976 4.976 4.686 0.290 18834 8844 1 18 . 1 1 18 18 SER CA C 18 56.519 56.519 58.375 -1.856 18834 8845 1 18 . 1 1 18 18 SER CB C 18 65.053 65.053 64.685 0.368 18834 8846 1 18 . 1 1 18 18 SER H H 18 7.892 7.892 7.475 0.417 18834 8847 1 18 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.879 -0.623 18834 8848 1 18 . 1 1 19 19 LEU C C 19 176.996 176.996 176.622 0.374 18834 8849 1 18 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.337 1.608 18834 8850 1 18 . 1 1 19 19 LEU CB C 19 43.178 43.178 43.204 -0.026 18834 8851 1 18 . 1 1 20 20 GLY N N 20 105.651 105.651 106.187 -0.536 18834 8852 1 18 . 1 1 20 20 GLY C C 20 176.218 176.218 173.299 2.919 18834 8853 1 18 . 1 1 20 20 GLY CA C 20 46.868 46.868 44.780 2.088 18834 8854 1 18 . 1 1 20 20 GLY H H 20 8.804 8.804 8.193 0.611 18834 8855 1 18 . 1 1 21 21 ILE N N 21 115.348 115.348 119.488 -4.140 18834 8856 1 18 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.347 0.495 18834 8857 1 18 . 1 1 21 21 ILE C C 21 175.987 175.987 175.693 0.294 18834 8858 1 18 . 1 1 21 21 ILE CA C 21 59.795 59.795 58.919 0.876 18834 8859 1 18 . 1 1 21 21 ILE CB C 21 42.334 42.334 38.627 3.707 18834 8860 1 18 . 1 1 21 21 ILE H H 21 7.775 7.775 7.648 0.127 18834 8861 1 18 . 1 1 22 22 CYS N N 22 123.503 123.503 120.019 3.484 18834 8862 1 18 . 1 1 22 22 CYS C C 22 176.187 176.187 174.047 2.140 18834 8863 1 18 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.339 -4.560 18834 8864 1 18 . 1 1 22 22 CYS CB C 22 36.527 36.527 31.147 5.380 18834 8865 1 18 . 1 1 22 22 CYS H H 22 8.533 8.533 8.387 0.146 18834 8866 1 18 . 1 1 23 23 VAL N N 23 114.882 114.882 115.662 -0.780 18834 8867 1 18 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.347 0.101 18834 8868 1 18 . 1 1 23 23 VAL C C 23 174.219 174.219 174.216 0.003 18834 8869 1 18 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.346 -0.924 18834 8870 1 18 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.444 -0.350 18834 8871 1 18 . 1 1 23 23 VAL H H 23 7.720 7.720 8.342 -0.622 18834 8872 1 18 . 1 1 24 24 THR N N 24 115.462 115.462 113.539 1.923 18834 8873 1 18 . 1 1 24 24 THR HA H 24 4.691 4.691 4.485 0.206 18834 8874 1 18 . 1 1 24 24 THR C C 24 171.649 171.649 173.245 -1.596 18834 8875 1 18 . 1 1 24 24 THR CA C 24 59.560 59.560 60.577 -1.017 18834 8876 1 18 . 1 1 24 24 THR CB C 24 70.573 70.573 70.231 0.342 18834 8877 1 18 . 1 1 24 24 THR H H 24 9.175 9.175 8.080 1.095 18834 8878 1 18 . 1 1 25 25 GLY N N 25 111.734 111.734 110.577 1.157 18834 8879 1 18 . 1 1 25 25 GLY C C 25 174.216 174.216 173.918 0.298 18834 8880 1 18 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.781 -0.117 18834 8881 1 18 . 1 1 25 25 GLY H H 25 8.323 8.323 8.356 -0.033 18834 8882 1 18 . 1 1 26 26 GLY N N 26 107.524 107.524 109.685 -2.161 18834 8883 1 18 . 1 1 26 26 GLY C C 26 176.306 176.306 175.018 1.288 18834 8884 1 18 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.638 -1.868 18834 8885 1 18 . 1 1 26 26 GLY H H 26 7.541 7.541 7.927 -0.386 18834 8886 1 18 . 1 1 27 27 VAL N N 27 116.903 116.903 122.488 -5.585 18834 8887 1 18 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.001 0.127 18834 8888 1 18 . 1 1 27 27 VAL C C 27 175.716 175.716 176.815 -1.099 18834 8889 1 18 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.851 1.043 18834 8890 1 18 . 1 1 27 27 VAL CB C 27 31.963 31.963 31.022 0.941 18834 8891 1 18 . 1 1 27 27 VAL H H 27 8.055 8.055 8.006 0.049 18834 8892 1 18 . 1 1 28 28 ASN N N 28 117.840 117.840 112.884 4.956 18834 8893 1 18 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.381 0.422 18834 8894 1 18 . 1 1 28 28 ASN C C 28 174.846 174.846 175.191 -0.345 18834 8895 1 18 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.163 -0.684 18834 8896 1 18 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.104 0.650 18834 8897 1 18 . 1 1 28 28 ASN H H 28 8.779 8.779 8.566 0.213 18834 8898 1 18 . 1 1 29 29 THR N N 29 111.408 111.408 109.231 2.177 18834 8899 1 18 . 1 1 29 29 THR HA H 29 4.690 4.690 4.230 0.460 18834 8900 1 18 . 1 1 29 29 THR CA C 29 61.624 61.624 61.456 0.168 18834 8901 1 18 . 1 1 29 29 THR CB C 29 70.939 70.939 69.402 1.537 18834 8902 1 18 . 1 1 29 29 THR H H 29 7.857 7.857 7.538 0.319 18834 8903 1 18 . 1 1 30 30 SER N N 30 113.816 113.816 114.730 -0.914 18834 8904 1 18 . 1 1 30 30 SER HA H 30 4.537 4.537 4.110 0.427 18834 8905 1 18 . 1 1 30 30 SER C C 30 174.867 174.867 174.863 0.004 18834 8906 1 18 . 1 1 30 30 SER CA C 30 58.369 58.369 60.161 -1.792 18834 8907 1 18 . 1 1 30 30 SER CB C 30 63.547 63.547 63.049 0.498 18834 8908 1 18 . 1 1 30 30 SER H H 30 8.438 8.438 8.560 -0.122 18834 8909 1 18 . 1 1 31 31 VAL N N 31 118.013 118.013 115.117 2.896 18834 8910 1 18 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.823 0.275 18834 8911 1 18 . 1 1 31 31 VAL C C 31 176.528 176.528 176.909 -0.381 18834 8912 1 18 . 1 1 31 31 VAL CA C 31 62.070 62.070 61.521 0.549 18834 8913 1 18 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.297 0.210 18834 8914 1 18 . 1 1 31 31 VAL H H 31 7.567 7.567 7.410 0.157 18834 8915 1 18 . 1 1 32 32 ARG N N 32 124.719 124.719 126.184 -1.465 18834 8916 1 18 . 1 1 32 32 ARG HA H 32 4.007 4.007 4.121 -0.114 18834 8917 1 18 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.849 -0.840 18834 8918 1 18 . 1 1 32 32 ARG CB C 32 29.571 29.571 30.329 -0.758 18834 8919 1 18 . 1 1 32 32 ARG H H 32 8.501 8.501 8.466 0.035 18834 8920 1 18 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.587 -0.010 18834 8921 1 18 . 1 1 33 33 HIS C C 33 175.064 175.064 175.990 -0.926 18834 8922 1 18 . 1 1 33 33 HIS CA C 33 56.814 56.814 55.639 1.175 18834 8923 1 18 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.276 -1.185 18834 8924 1 18 . 1 1 34 34 GLY N N 34 109.357 109.357 107.856 1.501 18834 8925 1 18 . 1 1 34 34 GLY C C 34 174.616 174.616 174.004 0.612 18834 8926 1 18 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.367 1.227 18834 8927 1 18 . 1 1 34 34 GLY H H 34 8.469 8.469 7.575 0.894 18834 8928 1 18 . 1 1 35 35 GLY N N 35 104.989 104.989 107.198 -2.209 18834 8929 1 18 . 1 1 35 35 GLY C C 35 170.518 170.518 173.439 -2.921 18834 8930 1 18 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.362 1.279 18834 8931 1 18 . 1 1 35 35 GLY H H 35 7.787 7.787 7.853 -0.066 18834 8932 1 18 . 1 1 36 36 ILE N N 36 119.808 119.808 120.051 -0.243 18834 8933 1 18 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.873 -0.127 18834 8934 1 18 . 1 1 36 36 ILE C C 36 174.616 174.616 175.081 -0.465 18834 8935 1 18 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.483 -3.528 18834 8936 1 18 . 1 1 36 36 ILE CB C 36 35.618 35.618 39.788 -4.170 18834 8937 1 18 . 1 1 36 36 ILE H H 36 8.362 8.362 7.760 0.602 18834 8938 1 18 . 1 1 37 37 TYR N N 37 123.168 123.168 126.994 -3.826 18834 8939 1 18 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.924 0.344 18834 8940 1 18 . 1 1 37 37 TYR C C 37 176.069 176.069 176.184 -0.115 18834 8941 1 18 . 1 1 37 37 TYR CA C 37 55.959 55.959 55.663 0.296 18834 8942 1 18 . 1 1 37 37 TYR CB C 37 42.436 42.436 40.782 1.654 18834 8943 1 18 . 1 1 37 37 TYR H H 37 8.904 8.904 9.037 -0.133 18834 8944 1 18 . 1 1 38 38 VAL N N 38 120.273 120.273 122.922 -2.649 18834 8945 1 18 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.203 -0.404 18834 8946 1 18 . 1 1 38 38 VAL C C 38 175.886 175.886 176.537 -0.651 18834 8947 1 18 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.733 1.351 18834 8948 1 18 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.837 0.607 18834 8949 1 18 . 1 1 38 38 VAL H H 38 9.230 9.230 9.108 0.122 18834 8950 1 18 . 1 1 39 39 LYS N N 39 133.619 133.619 130.354 3.265 18834 8951 1 18 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.155 0.234 18834 8952 1 18 . 1 1 39 39 LYS C C 39 174.763 174.763 175.812 -1.049 18834 8953 1 18 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.732 -1.196 18834 8954 1 18 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.207 1.332 18834 8955 1 18 . 1 1 39 39 LYS H H 39 9.584 9.584 8.467 1.117 18834 8956 1 18 . 1 1 40 40 ALA N N 40 117.459 117.459 118.053 -0.594 18834 8957 1 18 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.495 0.009 18834 8958 1 18 . 1 1 40 40 ALA C C 40 174.686 174.686 174.519 0.167 18834 8959 1 18 . 1 1 40 40 ALA CA C 40 51.897 51.897 52.058 -0.161 18834 8960 1 18 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.558 0.687 18834 8961 1 18 . 1 1 40 40 ALA H H 40 7.584 7.584 7.360 0.224 18834 8962 1 18 . 1 1 41 41 VAL N N 41 120.599 120.599 119.969 0.630 18834 8963 1 18 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.398 -0.019 18834 8964 1 18 . 1 1 41 41 VAL C C 41 175.714 175.714 175.788 -0.074 18834 8965 1 18 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.122 0.027 18834 8966 1 18 . 1 1 41 41 VAL CB C 41 32.506 32.506 35.073 -2.567 18834 8967 1 18 . 1 1 41 41 VAL H H 41 8.747 8.747 8.382 0.365 18834 8968 1 18 . 1 1 42 42 ILE N N 42 127.775 127.775 123.250 4.525 18834 8969 1 18 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.575 -0.448 18834 8970 1 18 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.381 1.445 18834 8971 1 18 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.037 1.179 18834 8972 1 18 . 1 1 42 42 ILE H H 42 7.827 7.827 8.567 -0.740 18834 8973 1 18 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.486 -0.011 18834 8974 1 18 . 1 1 43 43 PRO C C 43 177.234 177.234 176.541 0.693 18834 8975 1 18 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.762 1.415 18834 8976 1 18 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.520 -0.719 18834 8977 1 18 . 1 1 44 44 GLN N N 44 116.932 116.932 114.714 2.218 18834 8978 1 18 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.961 -0.113 18834 8979 1 18 . 1 1 44 44 GLN C C 44 175.628 175.628 175.115 0.513 18834 8980 1 18 . 1 1 44 44 GLN CA C 44 58.141 58.141 56.890 1.251 18834 8981 1 18 . 1 1 44 44 GLN CB C 44 26.441 26.441 26.239 0.202 18834 8982 1 18 . 1 1 44 44 GLN H H 44 9.388 9.388 8.646 0.742 18834 8983 1 18 . 1 1 45 45 GLY N N 45 106.131 106.131 103.650 2.481 18834 8984 1 18 . 1 1 45 45 GLY C C 45 174.404 174.404 172.780 1.624 18834 8985 1 18 . 1 1 45 45 GLY CA C 45 44.658 44.658 44.769 -0.111 18834 8986 1 18 . 1 1 45 45 GLY H H 45 7.875 7.875 7.481 0.394 18834 8987 1 18 . 1 1 46 46 ALA N N 46 121.011 121.011 123.156 -2.145 18834 8988 1 18 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.078 -0.027 18834 8989 1 18 . 1 1 46 46 ALA C C 46 180.673 180.673 179.091 1.582 18834 8990 1 18 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.458 -0.413 18834 8991 1 18 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.651 -0.142 18834 8992 1 18 . 1 1 46 46 ALA H H 46 9.017 9.017 8.923 0.094 18834 8993 1 18 . 1 1 47 47 ALA N N 47 118.848 118.848 121.403 -2.555 18834 8994 1 18 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.888 0.180 18834 8995 1 18 . 1 1 47 47 ALA C C 47 180.699 180.699 179.748 0.951 18834 8996 1 18 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.170 -0.253 18834 8997 1 18 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.917 0.713 18834 8998 1 18 . 1 1 47 47 ALA H H 47 7.754 7.754 8.222 -0.468 18834 8999 1 18 . 1 1 48 48 GLU N N 48 124.400 124.400 119.203 5.197 18834 9000 1 18 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.094 -0.271 18834 9001 1 18 . 1 1 48 48 GLU C C 48 178.174 178.174 179.047 -0.873 18834 9002 1 18 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.286 1.623 18834 9003 1 18 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.230 0.530 18834 9004 1 18 . 1 1 48 48 GLU H H 48 9.317 9.317 8.523 0.794 18834 9005 1 18 . 1 1 49 49 SER N N 49 113.388 113.388 114.388 -1.000 18834 9006 1 18 . 1 1 49 49 SER HA H 49 4.100 4.100 4.210 -0.110 18834 9007 1 18 . 1 1 49 49 SER C C 49 175.693 175.693 176.427 -0.734 18834 9008 1 18 . 1 1 49 49 SER CA C 49 61.233 61.233 60.826 0.407 18834 9009 1 18 . 1 1 49 49 SER CB C 49 62.780 62.780 63.273 -0.493 18834 9010 1 18 . 1 1 49 49 SER H H 49 8.115 8.115 8.349 -0.234 18834 9011 1 18 . 1 1 50 50 ASP N N 50 120.047 120.047 119.675 0.372 18834 9012 1 18 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.585 -0.207 18834 9013 1 18 . 1 1 50 50 ASP C C 50 177.650 177.650 177.220 0.430 18834 9014 1 18 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.557 2.657 18834 9015 1 18 . 1 1 50 50 ASP CB C 50 44.241 44.241 42.061 2.180 18834 9016 1 18 . 1 1 50 50 ASP H H 50 7.609 7.609 8.126 -0.517 18834 9017 1 18 . 1 1 51 51 GLY N N 51 102.979 102.979 107.903 -4.924 18834 9018 1 18 . 1 1 51 51 GLY C C 51 174.977 174.977 174.846 0.131 18834 9019 1 18 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.416 0.936 18834 9020 1 18 . 1 1 51 51 GLY H H 51 7.372 7.372 8.084 -0.712 18834 9021 1 18 . 1 1 52 52 ARG N N 52 117.579 117.579 117.844 -0.265 18834 9022 1 18 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.412 -0.098 18834 9023 1 18 . 1 1 52 52 ARG C C 52 175.886 175.886 175.288 0.598 18834 9024 1 18 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.023 2.871 18834 9025 1 18 . 1 1 52 52 ARG CB C 52 33.246 33.246 30.437 2.809 18834 9026 1 18 . 1 1 52 52 ARG H H 52 7.966 7.966 7.767 0.199 18834 9027 1 18 . 1 1 53 53 ILE N N 53 120.155 120.155 117.965 2.190 18834 9028 1 18 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.137 0.099 18834 9029 1 18 . 1 1 53 53 ILE C C 53 173.773 173.773 172.958 0.815 18834 9030 1 18 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.265 1.140 18834 9031 1 18 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.318 -1.677 18834 9032 1 18 . 1 1 53 53 ILE H H 53 8.225 8.225 6.859 1.366 18834 9033 1 18 . 1 1 54 54 HIS N N 54 123.751 123.751 121.628 2.123 18834 9034 1 18 . 1 1 54 54 HIS HA H 54 4.790 4.790 5.065 -0.275 18834 9035 1 18 . 1 1 54 54 HIS C C 54 173.696 173.696 175.033 -1.337 18834 9036 1 18 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.818 0.026 18834 9037 1 18 . 1 1 54 54 HIS CB C 54 33.566 33.566 33.750 -0.184 18834 9038 1 18 . 1 1 54 54 HIS H H 54 9.061 9.061 8.326 0.735 18834 9039 1 18 . 1 1 55 55 LYS N N 55 120.590 120.590 120.436 0.154 18834 9040 1 18 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.316 -0.690 18834 9041 1 18 . 1 1 55 55 LYS C C 55 176.916 176.916 177.556 -0.640 18834 9042 1 18 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.819 0.485 18834 9043 1 18 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.759 -0.338 18834 9044 1 18 . 1 1 55 55 LYS H H 55 8.670 8.670 8.873 -0.203 18834 9045 1 18 . 1 1 56 56 GLY N N 56 114.645 114.645 112.593 2.052 18834 9046 1 18 . 1 1 56 56 GLY C C 56 174.438 174.438 174.442 -0.004 18834 9047 1 18 . 1 1 56 56 GLY CA C 56 44.762 44.762 45.080 -0.318 18834 9048 1 18 . 1 1 56 56 GLY H H 56 9.201 9.201 8.741 0.460 18834 9049 1 18 . 1 1 57 57 ASP N N 57 121.982 121.982 124.402 -2.420 18834 9050 1 18 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.861 0.026 18834 9051 1 18 . 1 1 57 57 ASP C C 57 174.623 174.623 175.276 -0.653 18834 9052 1 18 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.178 0.658 18834 9053 1 18 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.337 -0.254 18834 9054 1 18 . 1 1 57 57 ASP H H 57 8.058 8.058 7.615 0.443 18834 9055 1 18 . 1 1 58 58 ARG N N 58 123.240 123.240 118.333 4.907 18834 9056 1 18 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.870 -0.255 18834 9057 1 18 . 1 1 58 58 ARG C C 58 175.573 175.573 174.496 1.077 18834 9058 1 18 . 1 1 58 58 ARG CA C 58 54.521 54.521 53.328 1.193 18834 9059 1 18 . 1 1 58 58 ARG CB C 58 33.701 33.701 32.775 0.926 18834 9060 1 18 . 1 1 58 58 ARG H H 58 9.078 9.078 8.737 0.341 18834 9061 1 18 . 1 1 59 59 VAL N N 59 126.202 126.202 121.849 4.353 18834 9062 1 18 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.375 -0.512 18834 9063 1 18 . 1 1 59 59 VAL C C 59 174.458 174.458 175.830 -1.372 18834 9064 1 18 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.378 -0.175 18834 9065 1 18 . 1 1 59 59 VAL CB C 59 30.998 30.998 32.003 -1.005 18834 9066 1 18 . 1 1 59 59 VAL H H 59 8.897 8.897 8.757 0.140 18834 9067 1 18 . 1 1 60 60 LEU N N 60 127.163 127.163 128.085 -0.922 18834 9068 1 18 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.414 -0.118 18834 9069 1 18 . 1 1 60 60 LEU C C 60 178.289 178.289 176.606 1.683 18834 9070 1 18 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.338 -0.284 18834 9071 1 18 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.835 -0.223 18834 9072 1 18 . 1 1 60 60 LEU H H 60 9.213 9.213 8.534 0.679 18834 9073 1 18 . 1 1 61 61 ALA N N 61 118.886 118.886 117.485 1.401 18834 9074 1 18 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.169 -0.215 18834 9075 1 18 . 1 1 61 61 ALA C C 61 175.288 175.288 175.313 -0.025 18834 9076 1 18 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.457 1.822 18834 9077 1 18 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.381 -0.285 18834 9078 1 18 . 1 1 61 61 ALA H H 61 7.741 7.741 7.344 0.397 18834 9079 1 18 . 1 1 62 62 VAL N N 62 119.929 119.929 120.477 -0.548 18834 9080 1 18 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.277 0.173 18834 9081 1 18 . 1 1 62 62 VAL C C 62 175.323 175.323 176.252 -0.929 18834 9082 1 18 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.723 -0.305 18834 9083 1 18 . 1 1 62 62 VAL CB C 62 34.050 34.050 34.405 -0.355 18834 9084 1 18 . 1 1 62 62 VAL H H 62 8.256 8.256 8.547 -0.291 18834 9085 1 18 . 1 1 63 63 ASN N N 63 128.933 128.933 127.522 1.411 18834 9086 1 18 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.316 0.229 18834 9087 1 18 . 1 1 63 63 ASN C C 63 175.197 175.197 175.183 0.014 18834 9088 1 18 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.422 -0.254 18834 9089 1 18 . 1 1 63 63 ASN CB C 63 36.896 36.896 38.080 -1.184 18834 9090 1 18 . 1 1 63 63 ASN H H 63 10.392 10.392 9.374 1.018 18834 9091 1 18 . 1 1 64 64 GLY N N 64 103.413 103.413 103.342 0.071 18834 9092 1 18 . 1 1 64 64 GLY C C 64 173.872 173.872 174.350 -0.478 18834 9093 1 18 . 1 1 64 64 GLY CA C 64 45.171 45.171 45.087 0.084 18834 9094 1 18 . 1 1 64 64 GLY H H 64 9.085 9.085 8.463 0.622 18834 9095 1 18 . 1 1 65 65 VAL N N 65 123.643 123.643 124.316 -0.673 18834 9096 1 18 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.046 -0.098 18834 9097 1 18 . 1 1 65 65 VAL C C 65 175.645 175.645 175.760 -0.115 18834 9098 1 18 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.939 0.197 18834 9099 1 18 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.902 -0.262 18834 9100 1 18 . 1 1 65 65 VAL H H 65 8.028 8.028 7.872 0.157 18834 9101 1 18 . 1 1 66 66 SER N N 66 120.923 120.923 124.621 -3.698 18834 9102 1 18 . 1 1 66 66 SER HA H 66 4.334 4.334 4.155 0.179 18834 9103 1 18 . 1 1 66 66 SER C C 66 176.388 176.388 173.928 2.460 18834 9104 1 18 . 1 1 66 66 SER CA C 66 58.342 58.342 59.855 -1.512 18834 9105 1 18 . 1 1 66 66 SER CB C 66 63.562 63.562 63.196 0.366 18834 9106 1 18 . 1 1 66 66 SER H H 66 8.647 8.647 8.751 -0.104 18834 9107 1 18 . 1 1 67 67 LEU N N 67 125.116 125.116 126.402 -1.286 18834 9108 1 18 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.603 -0.165 18834 9109 1 18 . 1 1 67 67 LEU C C 67 176.462 176.462 176.560 -0.098 18834 9110 1 18 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.366 -0.634 18834 9111 1 18 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.781 -1.891 18834 9112 1 18 . 1 1 67 67 LEU H H 67 8.292 8.292 8.857 -0.565 18834 9113 1 18 . 1 1 68 68 GLU N N 68 123.552 123.552 119.626 3.926 18834 9114 1 18 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.144 -0.109 18834 9115 1 18 . 1 1 68 68 GLU C C 68 177.767 177.767 177.037 0.730 18834 9116 1 18 . 1 1 68 68 GLU CA C 68 58.571 58.571 58.101 0.470 18834 9117 1 18 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.244 -0.192 18834 9118 1 18 . 1 1 68 68 GLU H H 68 8.305 8.305 7.691 0.614 18834 9119 1 18 . 1 1 69 69 GLY N N 69 115.496 115.496 113.166 2.330 18834 9120 1 18 . 1 1 69 69 GLY C C 69 173.618 173.618 174.282 -0.664 18834 9121 1 18 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.976 0.420 18834 9122 1 18 . 1 1 69 69 GLY H H 69 8.977 8.977 9.102 -0.125 18834 9123 1 18 . 1 1 70 70 ALA N N 70 121.999 121.999 123.977 -1.978 18834 9124 1 18 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.503 -0.001 18834 9125 1 18 . 1 1 70 70 ALA C C 70 179.820 179.820 176.455 3.365 18834 9126 1 18 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.746 0.669 18834 9127 1 18 . 1 1 70 70 ALA CB C 70 19.638 19.638 19.741 -0.103 18834 9128 1 18 . 1 1 70 70 ALA H H 70 7.807 7.807 8.061 -0.254 18834 9129 1 18 . 1 1 71 71 THR N N 71 111.294 111.294 113.998 -2.704 18834 9130 1 18 . 1 1 71 71 THR HA H 71 4.515 4.515 4.276 0.239 18834 9131 1 18 . 1 1 71 71 THR C C 71 174.717 174.717 176.102 -1.385 18834 9132 1 18 . 1 1 71 71 THR CA C 71 60.692 60.692 60.772 -0.080 18834 9133 1 18 . 1 1 71 71 THR CB C 71 71.274 71.274 70.647 0.627 18834 9134 1 18 . 1 1 71 71 THR H H 71 8.222 8.222 7.832 0.390 18834 9135 1 18 . 1 1 72 72 HIS N N 72 121.871 121.871 119.038 2.833 18834 9136 1 18 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.285 -0.425 18834 9137 1 18 . 1 1 72 72 HIS C C 72 176.702 176.702 177.485 -0.783 18834 9138 1 18 . 1 1 72 72 HIS CA C 72 61.983 61.983 59.816 2.167 18834 9139 1 18 . 1 1 72 72 HIS CB C 72 30.047 30.047 28.855 1.192 18834 9140 1 18 . 1 1 72 72 HIS H H 72 9.217 9.217 8.909 0.308 18834 9141 1 18 . 1 1 73 73 LYS N N 73 116.941 116.941 119.407 -2.466 18834 9142 1 18 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.856 -0.032 18834 9143 1 18 . 1 1 73 73 LYS C C 73 178.288 178.288 179.329 -1.041 18834 9144 1 18 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.773 -0.423 18834 9145 1 18 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.913 0.898 18834 9146 1 18 . 1 1 73 73 LYS H H 73 8.429 8.429 7.614 0.815 18834 9147 1 18 . 1 1 74 74 GLN N N 74 116.915 116.915 117.693 -0.778 18834 9148 1 18 . 1 1 74 74 GLN HA H 74 3.869 3.869 4.017 -0.148 18834 9149 1 18 . 1 1 74 74 GLN C C 74 179.732 179.732 178.561 1.171 18834 9150 1 18 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.432 0.167 18834 9151 1 18 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.050 0.301 18834 9152 1 18 . 1 1 74 74 GLN H H 74 7.660 7.660 7.755 -0.095 18834 9153 1 18 . 1 1 75 75 ALA N N 75 122.673 122.673 123.069 -0.396 18834 9154 1 18 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.999 -0.211 18834 9155 1 18 . 1 1 75 75 ALA C C 75 179.078 179.078 179.717 -0.639 18834 9156 1 18 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.310 0.256 18834 9157 1 18 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.310 0.541 18834 9158 1 18 . 1 1 75 75 ALA H H 75 8.379 8.379 8.396 -0.017 18834 9159 1 18 . 1 1 76 76 VAL N N 76 112.831 112.831 117.995 -5.164 18834 9160 1 18 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.749 -0.244 18834 9161 1 18 . 1 1 76 76 VAL CA C 76 65.895 65.895 66.635 -0.740 18834 9162 1 18 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.435 -0.744 18834 9163 1 18 . 1 1 76 76 VAL H H 76 8.239 8.239 7.937 0.302 18834 9164 1 18 . 1 1 77 77 CYS C C 77 177.150 177.150 177.104 0.046 18834 9165 1 18 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.362 -2.971 18834 9166 1 18 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.493 10.289 18834 9167 1 18 . 1 1 78 78 THR N N 78 117.507 117.507 116.796 0.711 18834 9168 1 18 . 1 1 78 78 THR HA H 78 3.858 3.858 4.050 -0.192 18834 9169 1 18 . 1 1 78 78 THR C C 78 176.460 176.460 175.787 0.673 18834 9170 1 18 . 1 1 78 78 THR CA C 78 67.123 67.123 66.363 0.760 18834 9171 1 18 . 1 1 78 78 THR CB C 78 68.123 68.123 68.796 -0.673 18834 9172 1 18 . 1 1 78 78 THR H H 78 8.015 8.015 8.069 -0.054 18834 9173 1 18 . 1 1 79 79 LEU N N 79 119.666 119.666 120.495 -0.829 18834 9174 1 18 . 1 1 79 79 LEU HA H 79 3.750 3.750 3.980 -0.230 18834 9175 1 18 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.979 0.211 18834 9176 1 18 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.772 0.300 18834 9177 1 18 . 1 1 79 79 LEU H H 79 7.984 7.984 7.716 0.268 18834 9178 1 18 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.091 0.106 18834 9179 1 18 . 1 1 80 80 ARG C C 80 177.750 177.750 178.609 -0.859 18834 9180 1 18 . 1 1 80 80 ARG CA C 80 58.307 58.307 58.386 -0.079 18834 9181 1 18 . 1 1 80 80 ARG CB C 80 30.092 30.092 29.838 0.254 18834 9182 1 18 . 1 1 81 81 ASN N N 81 119.843 119.843 119.172 0.671 18834 9183 1 18 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.684 0.300 18834 9184 1 18 . 1 1 81 81 ASN C C 81 174.819 174.819 174.769 0.050 18834 9185 1 18 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.042 0.070 18834 9186 1 18 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.386 0.282 18834 9187 1 18 . 1 1 81 81 ASN H H 81 7.648 7.648 7.936 -0.288 18834 9188 1 18 . 1 1 82 82 THR N N 82 109.907 109.907 111.679 -1.772 18834 9189 1 18 . 1 1 82 82 THR HA H 82 4.447 4.447 4.684 -0.237 18834 9190 1 18 . 1 1 82 82 THR C C 82 175.114 175.114 174.228 0.886 18834 9191 1 18 . 1 1 82 82 THR CA C 82 59.944 59.944 60.381 -0.437 18834 9192 1 18 . 1 1 82 82 THR CB C 82 72.611 72.611 71.856 0.755 18834 9193 1 18 . 1 1 82 82 THR H H 82 7.668 7.668 7.763 -0.095 18834 9194 1 18 . 1 1 83 83 GLY N N 83 109.505 109.505 106.603 2.902 18834 9195 1 18 . 1 1 83 83 GLY C C 83 173.467 173.467 174.995 -1.528 18834 9196 1 18 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.289 -0.197 18834 9197 1 18 . 1 1 83 83 GLY H H 83 8.421 8.421 8.493 -0.072 18834 9198 1 18 . 1 1 84 84 GLN N N 84 117.276 117.276 119.511 -2.235 18834 9199 1 18 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.119 -0.156 18834 9200 1 18 . 1 1 84 84 GLN C C 84 175.254 175.254 176.365 -1.111 18834 9201 1 18 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.462 -0.019 18834 9202 1 18 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.082 -0.109 18834 9203 1 18 . 1 1 84 84 GLN H H 84 8.224 8.224 8.600 -0.376 18834 9204 1 18 . 1 1 85 85 VAL N N 85 116.186 116.186 116.605 -0.419 18834 9205 1 18 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.228 0.426 18834 9206 1 18 . 1 1 85 85 VAL C C 85 175.879 175.879 175.528 0.351 18834 9207 1 18 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.828 -0.530 18834 9208 1 18 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.050 0.080 18834 9209 1 18 . 1 1 85 85 VAL H H 85 7.699 7.699 7.738 -0.039 18834 9210 1 18 . 1 1 86 86 VAL N N 86 128.499 128.499 125.915 2.584 18834 9211 1 18 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.263 0.184 18834 9212 1 18 . 1 1 86 86 VAL C C 86 173.365 173.365 174.348 -0.983 18834 9213 1 18 . 1 1 86 86 VAL CA C 86 60.965 60.965 61.442 -0.477 18834 9214 1 18 . 1 1 86 86 VAL CB C 86 34.987 34.987 32.880 2.107 18834 9215 1 18 . 1 1 86 86 VAL H H 86 9.043 9.043 9.120 -0.077 18834 9216 1 18 . 1 1 87 87 HIS N N 87 126.357 126.357 125.859 0.498 18834 9217 1 18 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.554 -0.558 18834 9218 1 18 . 1 1 87 87 HIS C C 87 174.387 174.387 174.624 -0.237 18834 9219 1 18 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.703 1.099 18834 9220 1 18 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.212 -0.033 18834 9221 1 18 . 1 1 87 87 HIS H H 87 8.855 8.855 8.932 -0.077 18834 9222 1 18 . 1 1 88 88 LEU N N 88 126.780 126.780 119.643 7.137 18834 9223 1 18 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.976 -0.016 18834 9224 1 18 . 1 1 88 88 LEU C C 88 173.365 173.365 174.136 -0.771 18834 9225 1 18 . 1 1 88 88 LEU CA C 88 53.494 53.494 54.100 -0.606 18834 9226 1 18 . 1 1 88 88 LEU CB C 88 45.187 45.187 45.311 -0.124 18834 9227 1 18 . 1 1 88 88 LEU H H 88 9.016 9.016 8.018 0.998 18834 9228 1 18 . 1 1 89 89 LEU N N 89 124.435 124.435 122.414 2.021 18834 9229 1 18 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.818 -0.097 18834 9230 1 18 . 1 1 89 89 LEU C C 89 175.213 175.213 176.435 -1.222 18834 9231 1 18 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.449 -0.788 18834 9232 1 18 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.374 3.017 18834 9233 1 18 . 1 1 89 89 LEU H H 89 7.965 7.965 7.974 -0.009 18834 9234 1 18 . 1 1 90 90 LEU N N 90 127.444 127.444 121.629 5.815 18834 9235 1 18 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.015 0.268 18834 9236 1 18 . 1 1 90 90 LEU C C 90 173.560 173.560 175.811 -2.251 18834 9237 1 18 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.163 1.925 18834 9238 1 18 . 1 1 90 90 LEU CB C 90 45.956 45.956 42.978 2.978 18834 9239 1 18 . 1 1 90 90 LEU H H 90 8.909 8.909 8.674 0.235 18834 9240 1 18 . 1 1 91 91 GLU N N 91 118.954 118.954 120.308 -1.354 18834 9241 1 18 . 1 1 91 91 GLU HA H 91 5.062 5.062 5.125 -0.063 18834 9242 1 18 . 1 1 91 91 GLU C C 91 176.652 176.652 175.212 1.440 18834 9243 1 18 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.139 -0.352 18834 9244 1 18 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.830 0.016 18834 9245 1 18 . 1 1 91 91 GLU H H 91 8.813 8.813 9.021 -0.208 18834 9246 1 18 . 1 1 92 92 LYS N N 92 129.055 129.055 127.303 1.752 18834 9247 1 18 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.503 -0.116 18834 9248 1 18 . 1 1 92 92 LYS C C 92 178.000 178.000 176.354 1.646 18834 9249 1 18 . 1 1 92 92 LYS CA C 92 56.262 56.262 55.791 0.471 18834 9250 1 18 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.987 -0.916 18834 9251 1 18 . 1 1 92 92 LYS H H 92 9.362 9.362 9.006 0.356 18834 9252 1 18 . 1 1 93 93 GLY N N 93 117.893 117.893 112.592 5.301 18834 9253 1 18 . 1 1 93 93 GLY C C 93 173.147 173.147 175.026 -1.879 18834 9254 1 18 . 1 1 93 93 GLY CA C 93 45.173 45.173 46.349 -1.176 18834 9255 1 18 . 1 1 93 93 GLY H H 93 9.698 9.698 9.836 -0.138 18834 9256 1 18 . 1 1 94 94 GLN N N 94 116.797 116.797 121.347 -4.550 18834 9257 1 18 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.320 -0.058 18834 9258 1 18 . 1 1 94 94 GLN C C 94 175.942 175.942 175.753 0.189 18834 9259 1 18 . 1 1 94 94 GLN CA C 94 55.514 55.514 57.724 -2.209 18834 9260 1 18 . 1 1 94 94 GLN CB C 94 29.688 29.688 29.499 0.189 18834 9261 1 18 . 1 1 94 94 GLN H H 94 8.252 8.252 8.491 -0.239 18834 9262 1 18 . 1 1 95 95 SER N N 95 118.117 118.117 116.975 1.142 18834 9263 1 18 . 1 1 95 95 SER HA H 95 4.658 4.658 4.449 0.209 18834 9264 1 18 . 1 1 95 95 SER CA C 95 56.588 56.588 57.425 -0.837 18834 9265 1 18 . 1 1 95 95 SER CB C 95 63.194 63.194 63.276 -0.082 18834 9266 1 18 . 1 1 95 95 SER H H 95 8.377 8.377 8.345 0.032 18834 9267 1 18 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.474 0.003 18834 9268 1 18 . 1 1 96 96 PRO C C 96 176.291 176.291 176.373 -0.082 18834 9269 1 18 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.867 0.644 18834 9270 1 18 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.123 -0.170 18834 9271 1 19 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.596 -0.122 18834 9272 1 19 . 1 1 2 2 PRO C C 2 175.857 175.857 175.826 0.031 18834 9273 1 19 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.538 0.305 18834 9274 1 19 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.977 -0.709 18834 9275 1 19 . 1 1 3 3 LYS N N 3 124.698 124.698 119.602 5.096 18834 9276 1 19 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.575 0.015 18834 9277 1 19 . 1 1 3 3 LYS CA C 3 53.618 53.618 53.693 -0.075 18834 9278 1 19 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.980 -1.424 18834 9279 1 19 . 1 1 3 3 LYS H H 3 8.952 8.952 8.247 0.705 18834 9280 1 19 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.070 -0.126 18834 9281 1 19 . 1 1 4 4 PRO C C 4 177.504 177.504 177.045 0.459 18834 9282 1 19 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.241 0.303 18834 9283 1 19 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.371 0.399 18834 9284 1 19 . 1 1 5 5 GLY N N 5 113.728 113.728 113.601 0.127 18834 9285 1 19 . 1 1 5 5 GLY C C 5 174.146 174.146 173.989 0.157 18834 9286 1 19 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.720 0.313 18834 9287 1 19 . 1 1 5 5 GLY H H 5 9.011 9.011 8.344 0.667 18834 9288 1 19 . 1 1 6 6 ASP N N 6 121.776 121.776 122.622 -0.846 18834 9289 1 19 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.690 -0.020 18834 9290 1 19 . 1 1 6 6 ASP C C 6 175.673 175.673 175.894 -0.221 18834 9291 1 19 . 1 1 6 6 ASP CA C 6 54.918 54.918 54.374 0.544 18834 9292 1 19 . 1 1 6 6 ASP CB C 6 41.446 41.446 41.891 -0.445 18834 9293 1 19 . 1 1 6 6 ASP H H 6 8.468 8.468 8.052 0.416 18834 9294 1 19 . 1 1 7 7 ILE N N 7 121.570 121.570 123.955 -2.385 18834 9295 1 19 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.814 0.517 18834 9296 1 19 . 1 1 7 7 ILE C C 7 176.824 176.824 175.997 0.827 18834 9297 1 19 . 1 1 7 7 ILE CA C 7 59.601 59.601 60.823 -1.222 18834 9298 1 19 . 1 1 7 7 ILE CB C 7 38.254 38.254 38.863 -0.609 18834 9299 1 19 . 1 1 7 7 ILE H H 7 8.362 8.362 8.315 0.047 18834 9300 1 19 . 1 1 8 8 PHE N N 8 125.816 125.816 124.847 0.969 18834 9301 1 19 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.072 0.000 18834 9302 1 19 . 1 1 8 8 PHE C C 8 171.149 171.149 173.361 -2.212 18834 9303 1 19 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.349 0.180 18834 9304 1 19 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.185 0.127 18834 9305 1 19 . 1 1 8 8 PHE H H 8 9.476 9.476 8.739 0.737 18834 9306 1 19 . 1 1 9 9 GLU N N 9 118.961 118.961 119.688 -0.727 18834 9307 1 19 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.273 0.940 18834 9308 1 19 . 1 1 9 9 GLU C C 9 175.995 175.995 175.646 0.349 18834 9309 1 19 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.082 -1.093 18834 9310 1 19 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.767 1.661 18834 9311 1 19 . 1 1 9 9 GLU H H 9 8.490 8.490 8.453 0.037 18834 9312 1 19 . 1 1 10 10 VAL N N 10 119.964 119.964 117.146 2.818 18834 9313 1 19 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.563 -0.426 18834 9314 1 19 . 1 1 10 10 VAL C C 10 173.221 173.221 173.646 -0.425 18834 9315 1 19 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.550 1.541 18834 9316 1 19 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.592 1.174 18834 9317 1 19 . 1 1 10 10 VAL H H 10 8.577 8.577 7.718 0.859 18834 9318 1 19 . 1 1 11 11 GLU N N 11 126.219 126.219 122.675 3.544 18834 9319 1 19 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.334 -0.379 18834 9320 1 19 . 1 1 11 11 GLU C C 11 174.538 174.538 175.612 -1.074 18834 9321 1 19 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.723 0.139 18834 9322 1 19 . 1 1 11 11 GLU CB C 11 30.836 30.836 30.919 -0.083 18834 9323 1 19 . 1 1 11 11 GLU H H 11 7.794 7.794 8.344 -0.550 18834 9324 1 19 . 1 1 12 12 LEU N N 12 126.212 126.212 125.624 0.588 18834 9325 1 19 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.722 -0.076 18834 9326 1 19 . 1 1 12 12 LEU C C 12 173.916 173.916 175.370 -1.454 18834 9327 1 19 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.724 -0.587 18834 9328 1 19 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.718 -0.592 18834 9329 1 19 . 1 1 12 12 LEU H H 12 8.848 8.848 8.846 0.002 18834 9330 1 19 . 1 1 13 13 ALA N N 13 126.357 126.357 124.684 1.673 18834 9331 1 19 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.492 0.603 18834 9332 1 19 . 1 1 13 13 ALA C C 13 177.352 177.352 176.969 0.383 18834 9333 1 19 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.459 -1.539 18834 9334 1 19 . 1 1 13 13 ALA CB C 13 19.377 19.377 20.381 -1.004 18834 9335 1 19 . 1 1 13 13 ALA H H 13 8.494 8.494 8.457 0.037 18834 9336 1 19 . 1 1 14 14 LYS N N 14 120.000 120.000 119.810 0.190 18834 9337 1 19 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.162 -0.410 18834 9338 1 19 . 1 1 14 14 LYS C C 14 176.313 176.313 176.573 -0.260 18834 9339 1 19 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.006 0.756 18834 9340 1 19 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.328 1.141 18834 9341 1 19 . 1 1 14 14 LYS H H 14 8.496 8.496 8.267 0.229 18834 9342 1 19 . 1 1 15 15 ASN N N 15 117.473 117.473 117.022 0.451 18834 9343 1 19 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.379 0.538 18834 9344 1 19 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.076 -0.589 18834 9345 1 19 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.943 1.741 18834 9346 1 19 . 1 1 15 15 ASN H H 15 8.079 8.079 8.311 -0.232 18834 9347 1 19 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.311 -0.052 18834 9348 1 19 . 1 1 16 16 ASP C C 16 175.515 175.515 175.394 0.121 18834 9349 1 19 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.124 0.396 18834 9350 1 19 . 1 1 16 16 ASP CB C 16 39.303 39.303 40.237 -0.934 18834 9351 1 19 . 1 1 17 17 ASN N N 17 110.160 110.160 112.742 -2.582 18834 9352 1 19 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.352 -0.120 18834 9353 1 19 . 1 1 17 17 ASN C C 17 174.550 174.550 174.502 0.048 18834 9354 1 19 . 1 1 17 17 ASN CA C 17 54.349 54.349 54.884 -0.535 18834 9355 1 19 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.586 -0.131 18834 9356 1 19 . 1 1 17 17 ASN H H 17 8.959 8.959 8.771 0.188 18834 9357 1 19 . 1 1 18 18 SER N N 18 112.013 112.013 115.572 -3.559 18834 9358 1 19 . 1 1 18 18 SER HA H 18 4.976 4.976 4.611 0.365 18834 9359 1 19 . 1 1 18 18 SER CA C 18 56.519 56.519 58.563 -2.044 18834 9360 1 19 . 1 1 18 18 SER CB C 18 65.053 65.053 64.303 0.750 18834 9361 1 19 . 1 1 18 18 SER H H 18 7.892 7.892 7.434 0.458 18834 9362 1 19 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.402 -0.146 18834 9363 1 19 . 1 1 19 19 LEU C C 19 176.996 176.996 177.340 -0.344 18834 9364 1 19 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.602 1.343 18834 9365 1 19 . 1 1 19 19 LEU CB C 19 43.178 43.178 43.302 -0.124 18834 9366 1 19 . 1 1 20 20 GLY N N 20 105.651 105.651 107.082 -1.431 18834 9367 1 19 . 1 1 20 20 GLY C C 20 176.218 176.218 173.457 2.761 18834 9368 1 19 . 1 1 20 20 GLY CA C 20 46.868 46.868 44.747 2.121 18834 9369 1 19 . 1 1 20 20 GLY H H 20 8.804 8.804 8.390 0.414 18834 9370 1 19 . 1 1 21 21 ILE N N 21 115.348 115.348 119.223 -3.875 18834 9371 1 19 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.345 0.497 18834 9372 1 19 . 1 1 21 21 ILE C C 21 175.987 175.987 175.656 0.331 18834 9373 1 19 . 1 1 21 21 ILE CA C 21 59.795 59.795 59.059 0.736 18834 9374 1 19 . 1 1 21 21 ILE CB C 21 42.334 42.334 38.377 3.957 18834 9375 1 19 . 1 1 21 21 ILE H H 21 7.775 7.775 7.559 0.216 18834 9376 1 19 . 1 1 22 22 CYS N N 22 123.503 123.503 119.687 3.816 18834 9377 1 19 . 1 1 22 22 CYS C C 22 176.187 176.187 174.031 2.156 18834 9378 1 19 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.224 -4.445 18834 9379 1 19 . 1 1 22 22 CYS CB C 22 36.527 36.527 31.294 5.233 18834 9380 1 19 . 1 1 22 22 CYS H H 22 8.533 8.533 8.334 0.199 18834 9381 1 19 . 1 1 23 23 VAL N N 23 114.882 114.882 115.391 -0.509 18834 9382 1 19 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.350 0.098 18834 9383 1 19 . 1 1 23 23 VAL C C 23 174.219 174.219 174.389 -0.170 18834 9384 1 19 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.180 -0.758 18834 9385 1 19 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.506 -0.412 18834 9386 1 19 . 1 1 23 23 VAL H H 23 7.720 7.720 8.348 -0.628 18834 9387 1 19 . 1 1 24 24 THR N N 24 115.462 115.462 114.281 1.181 18834 9388 1 19 . 1 1 24 24 THR HA H 24 4.691 4.691 4.429 0.262 18834 9389 1 19 . 1 1 24 24 THR C C 24 171.649 171.649 173.264 -1.615 18834 9390 1 19 . 1 1 24 24 THR CA C 24 59.560 59.560 59.688 -0.128 18834 9391 1 19 . 1 1 24 24 THR CB C 24 70.573 70.573 70.177 0.397 18834 9392 1 19 . 1 1 24 24 THR H H 24 9.175 9.175 8.190 0.985 18834 9393 1 19 . 1 1 25 25 GLY N N 25 111.734 111.734 110.595 1.139 18834 9394 1 19 . 1 1 25 25 GLY C C 25 174.216 174.216 173.963 0.253 18834 9395 1 19 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.741 -0.077 18834 9396 1 19 . 1 1 25 25 GLY H H 25 8.323 8.323 7.965 0.358 18834 9397 1 19 . 1 1 26 26 GLY N N 26 107.524 107.524 108.826 -1.302 18834 9398 1 19 . 1 1 26 26 GLY C C 26 176.306 176.306 174.910 1.396 18834 9399 1 19 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.635 -1.865 18834 9400 1 19 . 1 1 26 26 GLY H H 26 7.541 7.541 7.914 -0.373 18834 9401 1 19 . 1 1 27 27 VAL N N 27 116.903 116.903 123.555 -6.652 18834 9402 1 19 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.123 0.005 18834 9403 1 19 . 1 1 27 27 VAL C C 27 175.716 175.716 176.992 -1.276 18834 9404 1 19 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.488 1.406 18834 9405 1 19 . 1 1 27 27 VAL CB C 27 31.963 31.963 31.035 0.928 18834 9406 1 19 . 1 1 27 27 VAL H H 27 8.055 8.055 8.046 0.009 18834 9407 1 19 . 1 1 28 28 ASN N N 28 117.840 117.840 113.406 4.434 18834 9408 1 19 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.558 0.245 18834 9409 1 19 . 1 1 28 28 ASN C C 28 174.846 174.846 174.945 -0.099 18834 9410 1 19 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.347 -0.867 18834 9411 1 19 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.232 0.522 18834 9412 1 19 . 1 1 28 28 ASN H H 28 8.779 8.779 7.996 0.783 18834 9413 1 19 . 1 1 29 29 THR N N 29 111.408 111.408 109.357 2.051 18834 9414 1 19 . 1 1 29 29 THR HA H 29 4.690 4.690 4.241 0.449 18834 9415 1 19 . 1 1 29 29 THR CA C 29 61.624 61.624 62.035 -0.410 18834 9416 1 19 . 1 1 29 29 THR CB C 29 70.939 70.939 69.474 1.465 18834 9417 1 19 . 1 1 29 29 THR H H 29 7.857 7.857 7.727 0.130 18834 9418 1 19 . 1 1 30 30 SER N N 30 113.816 113.816 114.268 -0.452 18834 9419 1 19 . 1 1 30 30 SER HA H 30 4.537 4.537 4.109 0.428 18834 9420 1 19 . 1 1 30 30 SER C C 30 174.867 174.867 174.973 -0.106 18834 9421 1 19 . 1 1 30 30 SER CA C 30 58.369 58.369 60.098 -1.729 18834 9422 1 19 . 1 1 30 30 SER CB C 30 63.547 63.547 62.691 0.856 18834 9423 1 19 . 1 1 30 30 SER H H 30 8.438 8.438 8.547 -0.109 18834 9424 1 19 . 1 1 31 31 VAL N N 31 118.013 118.013 117.157 0.856 18834 9425 1 19 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.730 0.368 18834 9426 1 19 . 1 1 31 31 VAL C C 31 176.528 176.528 176.136 0.392 18834 9427 1 19 . 1 1 31 31 VAL CA C 31 62.070 62.070 62.330 -0.260 18834 9428 1 19 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.698 -0.191 18834 9429 1 19 . 1 1 31 31 VAL H H 31 7.567 7.567 7.468 0.099 18834 9430 1 19 . 1 1 32 32 ARG N N 32 124.719 124.719 125.321 -0.602 18834 9431 1 19 . 1 1 32 32 ARG HA H 32 4.007 4.007 3.936 0.071 18834 9432 1 19 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.483 -0.474 18834 9433 1 19 . 1 1 32 32 ARG CB C 32 29.571 29.571 29.618 -0.047 18834 9434 1 19 . 1 1 32 32 ARG H H 32 8.501 8.501 8.502 -0.001 18834 9435 1 19 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.572 0.005 18834 9436 1 19 . 1 1 33 33 HIS C C 33 175.064 175.064 175.898 -0.834 18834 9437 1 19 . 1 1 33 33 HIS CA C 33 56.814 56.814 56.957 -0.143 18834 9438 1 19 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.739 -1.648 18834 9439 1 19 . 1 1 34 34 GLY N N 34 109.357 109.357 106.821 2.536 18834 9440 1 19 . 1 1 34 34 GLY C C 34 174.616 174.616 174.583 0.033 18834 9441 1 19 . 1 1 34 34 GLY CA C 34 46.594 46.594 44.947 1.647 18834 9442 1 19 . 1 1 34 34 GLY H H 34 8.469 8.469 7.850 0.619 18834 9443 1 19 . 1 1 35 35 GLY N N 35 104.989 104.989 108.330 -3.341 18834 9444 1 19 . 1 1 35 35 GLY C C 35 170.518 170.518 174.088 -3.570 18834 9445 1 19 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.692 0.949 18834 9446 1 19 . 1 1 35 35 GLY H H 35 7.787 7.787 7.862 -0.075 18834 9447 1 19 . 1 1 36 36 ILE N N 36 119.808 119.808 120.843 -1.035 18834 9448 1 19 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.530 0.216 18834 9449 1 19 . 1 1 36 36 ILE C C 36 174.616 174.616 175.193 -0.577 18834 9450 1 19 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.827 -3.872 18834 9451 1 19 . 1 1 36 36 ILE CB C 36 35.618 35.618 37.170 -1.552 18834 9452 1 19 . 1 1 36 36 ILE H H 36 8.362 8.362 8.032 0.330 18834 9453 1 19 . 1 1 37 37 TYR N N 37 123.168 123.168 126.979 -3.811 18834 9454 1 19 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.519 0.749 18834 9455 1 19 . 1 1 37 37 TYR C C 37 176.069 176.069 175.538 0.531 18834 9456 1 19 . 1 1 37 37 TYR CA C 37 55.959 55.959 56.971 -1.012 18834 9457 1 19 . 1 1 37 37 TYR CB C 37 42.436 42.436 40.946 1.490 18834 9458 1 19 . 1 1 37 37 TYR H H 37 8.904 8.904 9.103 -0.199 18834 9459 1 19 . 1 1 38 38 VAL N N 38 120.273 120.273 121.295 -1.022 18834 9460 1 19 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.249 -0.450 18834 9461 1 19 . 1 1 38 38 VAL C C 38 175.886 175.886 176.391 -0.505 18834 9462 1 19 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.574 1.510 18834 9463 1 19 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.786 0.658 18834 9464 1 19 . 1 1 38 38 VAL H H 38 9.230 9.230 8.836 0.394 18834 9465 1 19 . 1 1 39 39 LYS N N 39 133.619 133.619 128.767 4.852 18834 9466 1 19 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.144 0.245 18834 9467 1 19 . 1 1 39 39 LYS C C 39 174.763 174.763 175.501 -0.738 18834 9468 1 19 . 1 1 39 39 LYS CA C 39 56.536 56.536 58.127 -1.591 18834 9469 1 19 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.127 1.413 18834 9470 1 19 . 1 1 39 39 LYS H H 39 9.584 9.584 8.209 1.375 18834 9471 1 19 . 1 1 40 40 ALA N N 40 117.459 117.459 117.162 0.297 18834 9472 1 19 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.518 -0.014 18834 9473 1 19 . 1 1 40 40 ALA C C 40 174.686 174.686 174.355 0.331 18834 9474 1 19 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.749 0.148 18834 9475 1 19 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.360 0.885 18834 9476 1 19 . 1 1 40 40 ALA H H 40 7.584 7.584 7.281 0.303 18834 9477 1 19 . 1 1 41 41 VAL N N 41 120.599 120.599 121.035 -0.436 18834 9478 1 19 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.396 -0.017 18834 9479 1 19 . 1 1 41 41 VAL C C 41 175.714 175.714 175.211 0.503 18834 9480 1 19 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.218 -0.069 18834 9481 1 19 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.724 -2.219 18834 9482 1 19 . 1 1 41 41 VAL H H 41 8.747 8.747 8.256 0.491 18834 9483 1 19 . 1 1 42 42 ILE N N 42 127.775 127.775 123.720 4.055 18834 9484 1 19 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.662 -0.535 18834 9485 1 19 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.221 1.605 18834 9486 1 19 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.102 1.113 18834 9487 1 19 . 1 1 42 42 ILE H H 42 7.827 7.827 8.453 -0.626 18834 9488 1 19 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.524 -0.049 18834 9489 1 19 . 1 1 43 43 PRO C C 43 177.234 177.234 176.202 1.032 18834 9490 1 19 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.515 1.662 18834 9491 1 19 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.597 -0.796 18834 9492 1 19 . 1 1 44 44 GLN N N 44 116.932 116.932 115.889 1.043 18834 9493 1 19 . 1 1 44 44 GLN HA H 44 3.848 3.848 4.013 -0.165 18834 9494 1 19 . 1 1 44 44 GLN C C 44 175.628 175.628 174.867 0.761 18834 9495 1 19 . 1 1 44 44 GLN CA C 44 58.141 58.141 56.299 1.842 18834 9496 1 19 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.057 -0.616 18834 9497 1 19 . 1 1 44 44 GLN H H 44 9.388 9.388 8.682 0.706 18834 9498 1 19 . 1 1 45 45 GLY N N 45 106.131 106.131 102.402 3.729 18834 9499 1 19 . 1 1 45 45 GLY C C 45 174.404 174.404 172.832 1.572 18834 9500 1 19 . 1 1 45 45 GLY CA C 45 44.658 44.658 44.416 0.242 18834 9501 1 19 . 1 1 45 45 GLY H H 45 7.875 7.875 7.675 0.200 18834 9502 1 19 . 1 1 46 46 ALA N N 46 121.011 121.011 122.996 -1.985 18834 9503 1 19 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.076 -0.025 18834 9504 1 19 . 1 1 46 46 ALA C C 46 180.673 180.673 179.117 1.556 18834 9505 1 19 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.378 -0.333 18834 9506 1 19 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.639 -0.131 18834 9507 1 19 . 1 1 46 46 ALA H H 46 9.017 9.017 8.915 0.102 18834 9508 1 19 . 1 1 47 47 ALA N N 47 118.848 118.848 121.447 -2.599 18834 9509 1 19 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.933 0.135 18834 9510 1 19 . 1 1 47 47 ALA C C 47 180.699 180.699 179.801 0.898 18834 9511 1 19 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.245 -0.328 18834 9512 1 19 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.886 0.744 18834 9513 1 19 . 1 1 47 47 ALA H H 47 7.754 7.754 8.439 -0.685 18834 9514 1 19 . 1 1 48 48 GLU N N 48 124.400 124.400 119.422 4.978 18834 9515 1 19 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.064 -0.241 18834 9516 1 19 . 1 1 48 48 GLU C C 48 178.174 178.174 178.766 -0.592 18834 9517 1 19 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.580 1.329 18834 9518 1 19 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.232 0.527 18834 9519 1 19 . 1 1 48 48 GLU H H 48 9.317 9.317 8.490 0.827 18834 9520 1 19 . 1 1 49 49 SER N N 49 113.388 113.388 113.605 -0.217 18834 9521 1 19 . 1 1 49 49 SER HA H 49 4.100 4.100 4.233 -0.133 18834 9522 1 19 . 1 1 49 49 SER C C 49 175.693 175.693 176.798 -1.105 18834 9523 1 19 . 1 1 49 49 SER CA C 49 61.233 61.233 60.585 0.648 18834 9524 1 19 . 1 1 49 49 SER CB C 49 62.780 62.780 63.192 -0.412 18834 9525 1 19 . 1 1 49 49 SER H H 49 8.115 8.115 8.348 -0.233 18834 9526 1 19 . 1 1 50 50 ASP N N 50 120.047 120.047 119.766 0.281 18834 9527 1 19 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.594 -0.216 18834 9528 1 19 . 1 1 50 50 ASP C C 50 177.650 177.650 177.334 0.316 18834 9529 1 19 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.979 2.235 18834 9530 1 19 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.956 2.284 18834 9531 1 19 . 1 1 50 50 ASP H H 50 7.609 7.609 8.307 -0.698 18834 9532 1 19 . 1 1 51 51 GLY N N 51 102.979 102.979 108.500 -5.521 18834 9533 1 19 . 1 1 51 51 GLY C C 51 174.977 174.977 174.851 0.126 18834 9534 1 19 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.702 0.650 18834 9535 1 19 . 1 1 51 51 GLY H H 51 7.372 7.372 7.955 -0.583 18834 9536 1 19 . 1 1 52 52 ARG N N 52 117.579 117.579 118.217 -0.638 18834 9537 1 19 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.558 -0.244 18834 9538 1 19 . 1 1 52 52 ARG C C 52 175.886 175.886 175.792 0.094 18834 9539 1 19 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.747 2.147 18834 9540 1 19 . 1 1 52 52 ARG CB C 52 33.246 33.246 31.205 2.041 18834 9541 1 19 . 1 1 52 52 ARG H H 52 7.966 7.966 7.719 0.247 18834 9542 1 19 . 1 1 53 53 ILE N N 53 120.155 120.155 117.876 2.279 18834 9543 1 19 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.410 -0.174 18834 9544 1 19 . 1 1 53 53 ILE C C 53 173.773 173.773 173.879 -0.106 18834 9545 1 19 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.395 1.010 18834 9546 1 19 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.956 -2.314 18834 9547 1 19 . 1 1 53 53 ILE H H 53 8.225 8.225 7.726 0.499 18834 9548 1 19 . 1 1 54 54 HIS N N 54 123.751 123.751 121.013 2.738 18834 9549 1 19 . 1 1 54 54 HIS HA H 54 4.790 4.790 5.028 -0.238 18834 9550 1 19 . 1 1 54 54 HIS C C 54 173.696 173.696 173.820 -0.124 18834 9551 1 19 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.694 0.150 18834 9552 1 19 . 1 1 54 54 HIS CB C 54 33.566 33.566 32.209 1.357 18834 9553 1 19 . 1 1 54 54 HIS H H 54 9.061 9.061 8.225 0.836 18834 9554 1 19 . 1 1 55 55 LYS N N 55 120.590 120.590 121.675 -1.085 18834 9555 1 19 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.015 -0.389 18834 9556 1 19 . 1 1 55 55 LYS C C 55 176.916 176.916 176.910 0.006 18834 9557 1 19 . 1 1 55 55 LYS CA C 55 58.304 58.304 56.941 1.363 18834 9558 1 19 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.474 -0.053 18834 9559 1 19 . 1 1 55 55 LYS H H 55 8.670 8.670 8.504 0.166 18834 9560 1 19 . 1 1 56 56 GLY N N 56 114.645 114.645 112.054 2.591 18834 9561 1 19 . 1 1 56 56 GLY C C 56 174.438 174.438 174.688 -0.250 18834 9562 1 19 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.977 -0.215 18834 9563 1 19 . 1 1 56 56 GLY H H 56 9.201 9.201 9.135 0.066 18834 9564 1 19 . 1 1 57 57 ASP N N 57 121.982 121.982 124.396 -2.414 18834 9565 1 19 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.867 0.020 18834 9566 1 19 . 1 1 57 57 ASP C C 57 174.623 174.623 175.038 -0.415 18834 9567 1 19 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.252 0.584 18834 9568 1 19 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.587 -0.504 18834 9569 1 19 . 1 1 57 57 ASP H H 57 8.058 8.058 7.230 0.828 18834 9570 1 19 . 1 1 58 58 ARG N N 58 123.240 123.240 118.055 5.185 18834 9571 1 19 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.484 0.131 18834 9572 1 19 . 1 1 58 58 ARG C C 58 175.573 175.573 174.734 0.839 18834 9573 1 19 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.080 0.441 18834 9574 1 19 . 1 1 58 58 ARG CB C 58 33.701 33.701 32.560 1.141 18834 9575 1 19 . 1 1 58 58 ARG H H 58 9.078 9.078 8.547 0.531 18834 9576 1 19 . 1 1 59 59 VAL N N 59 126.202 126.202 119.405 6.797 18834 9577 1 19 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.325 -0.462 18834 9578 1 19 . 1 1 59 59 VAL C C 59 174.458 174.458 175.572 -1.114 18834 9579 1 19 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.396 -0.193 18834 9580 1 19 . 1 1 59 59 VAL CB C 59 30.998 30.998 32.195 -1.197 18834 9581 1 19 . 1 1 59 59 VAL H H 59 8.897 8.897 8.324 0.573 18834 9582 1 19 . 1 1 60 60 LEU N N 60 127.163 127.163 126.436 0.727 18834 9583 1 19 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.493 -0.197 18834 9584 1 19 . 1 1 60 60 LEU C C 60 178.289 178.289 175.937 2.352 18834 9585 1 19 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.242 -0.188 18834 9586 1 19 . 1 1 60 60 LEU CB C 60 42.612 42.612 43.255 -0.644 18834 9587 1 19 . 1 1 60 60 LEU H H 60 9.213 9.213 8.336 0.877 18834 9588 1 19 . 1 1 61 61 ALA N N 61 118.886 118.886 117.465 1.421 18834 9589 1 19 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.134 -0.180 18834 9590 1 19 . 1 1 61 61 ALA C C 61 175.288 175.288 175.245 0.043 18834 9591 1 19 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.459 1.820 18834 9592 1 19 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.325 -0.229 18834 9593 1 19 . 1 1 61 61 ALA H H 61 7.741 7.741 7.308 0.433 18834 9594 1 19 . 1 1 62 62 VAL N N 62 119.929 119.929 120.003 -0.074 18834 9595 1 19 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.251 0.199 18834 9596 1 19 . 1 1 62 62 VAL C C 62 175.323 175.323 176.029 -0.706 18834 9597 1 19 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.922 -0.504 18834 9598 1 19 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.892 0.158 18834 9599 1 19 . 1 1 62 62 VAL H H 62 8.256 8.256 8.250 0.006 18834 9600 1 19 . 1 1 63 63 ASN N N 63 128.933 128.933 127.141 1.792 18834 9601 1 19 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.474 0.071 18834 9602 1 19 . 1 1 63 63 ASN C C 63 175.197 175.197 175.222 -0.025 18834 9603 1 19 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.408 -0.240 18834 9604 1 19 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.957 -1.061 18834 9605 1 19 . 1 1 63 63 ASN H H 63 10.392 10.392 9.270 1.122 18834 9606 1 19 . 1 1 64 64 GLY N N 64 103.413 103.413 102.185 1.228 18834 9607 1 19 . 1 1 64 64 GLY C C 64 173.872 173.872 174.365 -0.493 18834 9608 1 19 . 1 1 64 64 GLY CA C 64 45.171 45.171 44.913 0.258 18834 9609 1 19 . 1 1 64 64 GLY H H 64 9.085 9.085 8.480 0.605 18834 9610 1 19 . 1 1 65 65 VAL N N 65 123.643 123.643 124.287 -0.644 18834 9611 1 19 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.059 -0.111 18834 9612 1 19 . 1 1 65 65 VAL C C 65 175.645 175.645 175.661 -0.016 18834 9613 1 19 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.914 0.222 18834 9614 1 19 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.803 -0.163 18834 9615 1 19 . 1 1 65 65 VAL H H 65 8.028 8.028 7.864 0.164 18834 9616 1 19 . 1 1 66 66 SER N N 66 120.923 120.923 124.575 -3.652 18834 9617 1 19 . 1 1 66 66 SER HA H 66 4.334 4.334 4.190 0.144 18834 9618 1 19 . 1 1 66 66 SER C C 66 176.388 176.388 173.852 2.536 18834 9619 1 19 . 1 1 66 66 SER CA C 66 58.342 58.342 59.798 -1.456 18834 9620 1 19 . 1 1 66 66 SER CB C 66 63.562 63.562 63.173 0.389 18834 9621 1 19 . 1 1 66 66 SER H H 66 8.647 8.647 8.741 -0.094 18834 9622 1 19 . 1 1 67 67 LEU N N 67 125.116 125.116 126.372 -1.256 18834 9623 1 19 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.621 -0.183 18834 9624 1 19 . 1 1 67 67 LEU C C 67 176.462 176.462 176.308 0.154 18834 9625 1 19 . 1 1 67 67 LEU CA C 67 53.732 53.732 53.991 -0.259 18834 9626 1 19 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.776 -1.886 18834 9627 1 19 . 1 1 67 67 LEU H H 67 8.292 8.292 8.797 -0.505 18834 9628 1 19 . 1 1 68 68 GLU N N 68 123.552 123.552 119.566 3.986 18834 9629 1 19 . 1 1 68 68 GLU HA H 68 4.035 4.035 3.984 0.051 18834 9630 1 19 . 1 1 68 68 GLU C C 68 177.767 177.767 176.960 0.807 18834 9631 1 19 . 1 1 68 68 GLU CA C 68 58.571 58.571 58.131 0.440 18834 9632 1 19 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.314 -0.262 18834 9633 1 19 . 1 1 68 68 GLU H H 68 8.305 8.305 7.662 0.643 18834 9634 1 19 . 1 1 69 69 GLY N N 69 115.496 115.496 112.692 2.804 18834 9635 1 19 . 1 1 69 69 GLY C C 69 173.618 173.618 174.189 -0.571 18834 9636 1 19 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.926 0.470 18834 9637 1 19 . 1 1 69 69 GLY H H 69 8.977 8.977 8.492 0.485 18834 9638 1 19 . 1 1 70 70 ALA N N 70 121.999 121.999 125.107 -3.108 18834 9639 1 19 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.912 -0.410 18834 9640 1 19 . 1 1 70 70 ALA C C 70 179.820 179.820 176.838 2.982 18834 9641 1 19 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.084 1.331 18834 9642 1 19 . 1 1 70 70 ALA CB C 70 19.638 19.638 20.333 -0.695 18834 9643 1 19 . 1 1 70 70 ALA H H 70 7.807 7.807 7.971 -0.164 18834 9644 1 19 . 1 1 71 71 THR N N 71 111.294 111.294 113.768 -2.474 18834 9645 1 19 . 1 1 71 71 THR HA H 71 4.515 4.515 4.531 -0.016 18834 9646 1 19 . 1 1 71 71 THR C C 71 174.717 174.717 176.318 -1.601 18834 9647 1 19 . 1 1 71 71 THR CA C 71 60.692 60.692 60.531 0.161 18834 9648 1 19 . 1 1 71 71 THR CB C 71 71.274 71.274 70.759 0.515 18834 9649 1 19 . 1 1 71 71 THR H H 71 8.222 8.222 8.444 -0.222 18834 9650 1 19 . 1 1 72 72 HIS N N 72 121.871 121.871 120.051 1.820 18834 9651 1 19 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.190 -0.330 18834 9652 1 19 . 1 1 72 72 HIS C C 72 176.702 176.702 177.593 -0.891 18834 9653 1 19 . 1 1 72 72 HIS CA C 72 61.983 61.983 61.835 0.148 18834 9654 1 19 . 1 1 72 72 HIS CB C 72 30.047 30.047 29.312 0.735 18834 9655 1 19 . 1 1 72 72 HIS H H 72 9.217 9.217 9.151 0.066 18834 9656 1 19 . 1 1 73 73 LYS N N 73 116.941 116.941 118.441 -1.500 18834 9657 1 19 . 1 1 73 73 LYS HA H 73 3.824 3.824 4.008 -0.184 18834 9658 1 19 . 1 1 73 73 LYS C C 73 178.288 178.288 179.210 -0.922 18834 9659 1 19 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.157 0.193 18834 9660 1 19 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.406 1.405 18834 9661 1 19 . 1 1 73 73 LYS H H 73 8.429 8.429 8.407 0.022 18834 9662 1 19 . 1 1 74 74 GLN N N 74 116.915 116.915 119.100 -2.185 18834 9663 1 19 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.952 -0.083 18834 9664 1 19 . 1 1 74 74 GLN C C 74 179.732 179.732 178.640 1.092 18834 9665 1 19 . 1 1 74 74 GLN CA C 74 58.599 58.599 59.061 -0.462 18834 9666 1 19 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.491 -0.140 18834 9667 1 19 . 1 1 74 74 GLN H H 74 7.660 7.660 7.742 -0.082 18834 9668 1 19 . 1 1 75 75 ALA N N 75 122.673 122.673 122.759 -0.086 18834 9669 1 19 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.914 -0.126 18834 9670 1 19 . 1 1 75 75 ALA C C 75 179.078 179.078 179.516 -0.438 18834 9671 1 19 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.547 0.019 18834 9672 1 19 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.425 0.426 18834 9673 1 19 . 1 1 75 75 ALA H H 75 8.379 8.379 8.498 -0.119 18834 9674 1 19 . 1 1 76 76 VAL N N 76 112.831 112.831 115.324 -2.493 18834 9675 1 19 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.787 -0.282 18834 9676 1 19 . 1 1 76 76 VAL CA C 76 65.895 65.895 65.471 0.424 18834 9677 1 19 . 1 1 76 76 VAL CB C 76 30.691 30.691 30.978 -0.287 18834 9678 1 19 . 1 1 76 76 VAL H H 76 8.239 8.239 7.719 0.520 18834 9679 1 19 . 1 1 77 77 CYS C C 77 177.150 177.150 177.233 -0.083 18834 9680 1 19 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.118 -2.727 18834 9681 1 19 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.478 10.304 18834 9682 1 19 . 1 1 78 78 THR N N 78 117.507 117.507 116.573 0.934 18834 9683 1 19 . 1 1 78 78 THR HA H 78 3.858 3.858 3.995 -0.137 18834 9684 1 19 . 1 1 78 78 THR C C 78 176.460 176.460 175.319 1.141 18834 9685 1 19 . 1 1 78 78 THR CA C 78 67.123 67.123 66.236 0.887 18834 9686 1 19 . 1 1 78 78 THR CB C 78 68.123 68.123 68.902 -0.779 18834 9687 1 19 . 1 1 78 78 THR H H 78 8.015 8.015 8.011 0.004 18834 9688 1 19 . 1 1 79 79 LEU N N 79 119.666 119.666 119.577 0.089 18834 9689 1 19 . 1 1 79 79 LEU HA H 79 3.750 3.750 4.069 -0.319 18834 9690 1 19 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.465 0.725 18834 9691 1 19 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.936 0.136 18834 9692 1 19 . 1 1 79 79 LEU H H 79 7.984 7.984 7.669 0.315 18834 9693 1 19 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.101 0.096 18834 9694 1 19 . 1 1 80 80 ARG C C 80 177.750 177.750 178.287 -0.537 18834 9695 1 19 . 1 1 80 80 ARG CA C 80 58.307 58.307 58.350 -0.043 18834 9696 1 19 . 1 1 80 80 ARG CB C 80 30.092 30.092 29.887 0.204 18834 9697 1 19 . 1 1 81 81 ASN N N 81 119.843 119.843 119.333 0.510 18834 9698 1 19 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.690 0.294 18834 9699 1 19 . 1 1 81 81 ASN C C 81 174.819 174.819 174.820 -0.001 18834 9700 1 19 . 1 1 81 81 ASN CA C 81 53.113 53.113 52.846 0.267 18834 9701 1 19 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.252 0.416 18834 9702 1 19 . 1 1 81 81 ASN H H 81 7.648 7.648 7.880 -0.232 18834 9703 1 19 . 1 1 82 82 THR N N 82 109.907 109.907 113.601 -3.694 18834 9704 1 19 . 1 1 82 82 THR HA H 82 4.447 4.447 4.548 -0.101 18834 9705 1 19 . 1 1 82 82 THR C C 82 175.114 175.114 174.507 0.607 18834 9706 1 19 . 1 1 82 82 THR CA C 82 59.944 59.944 60.728 -0.784 18834 9707 1 19 . 1 1 82 82 THR CB C 82 72.611 72.611 71.315 1.296 18834 9708 1 19 . 1 1 82 82 THR H H 82 7.668 7.668 7.821 -0.153 18834 9709 1 19 . 1 1 83 83 GLY N N 83 109.505 109.505 107.592 1.913 18834 9710 1 19 . 1 1 83 83 GLY C C 83 173.467 173.467 174.810 -1.343 18834 9711 1 19 . 1 1 83 83 GLY CA C 83 44.092 44.092 43.964 0.128 18834 9712 1 19 . 1 1 83 83 GLY H H 83 8.421 8.421 8.555 -0.134 18834 9713 1 19 . 1 1 84 84 GLN N N 84 117.276 117.276 118.986 -1.710 18834 9714 1 19 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.079 -0.116 18834 9715 1 19 . 1 1 84 84 GLN C C 84 175.254 175.254 176.171 -0.917 18834 9716 1 19 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.667 -0.224 18834 9717 1 19 . 1 1 84 84 GLN CB C 84 28.973 28.973 28.914 0.059 18834 9718 1 19 . 1 1 84 84 GLN H H 84 8.224 8.224 8.582 -0.358 18834 9719 1 19 . 1 1 85 85 VAL N N 85 116.186 116.186 114.601 1.585 18834 9720 1 19 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.071 0.583 18834 9721 1 19 . 1 1 85 85 VAL C C 85 175.879 175.879 174.813 1.066 18834 9722 1 19 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.238 0.060 18834 9723 1 19 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.908 -0.778 18834 9724 1 19 . 1 1 85 85 VAL H H 85 7.699 7.699 7.631 0.068 18834 9725 1 19 . 1 1 86 86 VAL N N 86 128.499 128.499 121.618 6.881 18834 9726 1 19 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.336 0.111 18834 9727 1 19 . 1 1 86 86 VAL C C 86 173.365 173.365 174.284 -0.919 18834 9728 1 19 . 1 1 86 86 VAL CA C 86 60.965 60.965 60.946 0.019 18834 9729 1 19 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.588 1.399 18834 9730 1 19 . 1 1 86 86 VAL H H 86 9.043 9.043 8.952 0.091 18834 9731 1 19 . 1 1 87 87 HIS N N 87 126.357 126.357 127.411 -1.054 18834 9732 1 19 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.466 -0.470 18834 9733 1 19 . 1 1 87 87 HIS C C 87 174.387 174.387 173.708 0.679 18834 9734 1 19 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.240 1.562 18834 9735 1 19 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.648 -0.469 18834 9736 1 19 . 1 1 87 87 HIS H H 87 8.855 8.855 8.822 0.033 18834 9737 1 19 . 1 1 88 88 LEU N N 88 126.780 126.780 124.224 2.556 18834 9738 1 19 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.795 0.165 18834 9739 1 19 . 1 1 88 88 LEU C C 88 173.365 173.365 173.916 -0.551 18834 9740 1 19 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.177 0.317 18834 9741 1 19 . 1 1 88 88 LEU CB C 88 45.187 45.187 43.662 1.525 18834 9742 1 19 . 1 1 88 88 LEU H H 88 9.016 9.016 8.042 0.974 18834 9743 1 19 . 1 1 89 89 LEU N N 89 124.435 124.435 122.909 1.526 18834 9744 1 19 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.607 0.114 18834 9745 1 19 . 1 1 89 89 LEU C C 89 175.213 175.213 176.382 -1.169 18834 9746 1 19 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.366 -0.705 18834 9747 1 19 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.440 2.951 18834 9748 1 19 . 1 1 89 89 LEU H H 89 7.965 7.965 7.960 0.005 18834 9749 1 19 . 1 1 90 90 LEU N N 90 127.444 127.444 120.584 6.860 18834 9750 1 19 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.083 0.200 18834 9751 1 19 . 1 1 90 90 LEU C C 90 173.560 173.560 175.675 -2.115 18834 9752 1 19 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.097 1.991 18834 9753 1 19 . 1 1 90 90 LEU CB C 90 45.956 45.956 43.705 2.251 18834 9754 1 19 . 1 1 90 90 LEU H H 90 8.909 8.909 8.554 0.355 18834 9755 1 19 . 1 1 91 91 GLU N N 91 118.954 118.954 119.972 -1.018 18834 9756 1 19 . 1 1 91 91 GLU HA H 91 5.062 5.062 4.868 0.194 18834 9757 1 19 . 1 1 91 91 GLU C C 91 176.652 176.652 175.875 0.777 18834 9758 1 19 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.137 -0.350 18834 9759 1 19 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.522 0.324 18834 9760 1 19 . 1 1 91 91 GLU H H 91 8.813 8.813 8.889 -0.076 18834 9761 1 19 . 1 1 92 92 LYS N N 92 129.055 129.055 125.218 3.837 18834 9762 1 19 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.542 -0.155 18834 9763 1 19 . 1 1 92 92 LYS C C 92 178.000 178.000 176.701 1.299 18834 9764 1 19 . 1 1 92 92 LYS CA C 92 56.262 56.262 57.132 -0.870 18834 9765 1 19 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.622 -0.551 18834 9766 1 19 . 1 1 92 92 LYS H H 92 9.362 9.362 8.774 0.588 18834 9767 1 19 . 1 1 93 93 GLY N N 93 117.893 117.893 108.297 9.596 18834 9768 1 19 . 1 1 93 93 GLY C C 93 173.147 173.147 172.663 0.484 18834 9769 1 19 . 1 1 93 93 GLY CA C 93 45.173 45.173 43.617 1.556 18834 9770 1 19 . 1 1 93 93 GLY H H 93 9.698 9.698 9.273 0.425 18834 9771 1 19 . 1 1 94 94 GLN N N 94 116.797 116.797 116.845 -0.048 18834 9772 1 19 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.098 0.164 18834 9773 1 19 . 1 1 94 94 GLN C C 94 175.942 175.942 174.891 1.051 18834 9774 1 19 . 1 1 94 94 GLN CA C 94 55.514 55.514 55.829 -0.315 18834 9775 1 19 . 1 1 94 94 GLN CB C 94 29.688 29.688 29.779 -0.091 18834 9776 1 19 . 1 1 94 94 GLN H H 94 8.252 8.252 8.548 -0.296 18834 9777 1 19 . 1 1 95 95 SER N N 95 118.117 118.117 120.638 -2.521 18834 9778 1 19 . 1 1 95 95 SER HA H 95 4.658 4.658 4.614 0.044 18834 9779 1 19 . 1 1 95 95 SER CA C 95 56.588 56.588 57.512 -0.924 18834 9780 1 19 . 1 1 95 95 SER CB C 95 63.194 63.194 63.003 0.191 18834 9781 1 19 . 1 1 95 95 SER H H 95 8.377 8.377 8.495 -0.118 18834 9782 1 19 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.569 -0.092 18834 9783 1 19 . 1 1 96 96 PRO C C 96 176.291 176.291 176.344 -0.053 18834 9784 1 19 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.790 0.721 18834 9785 1 19 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.253 -0.300 18834 9786 1 20 . 1 1 2 2 PRO HA H 2 4.474 4.474 4.422 0.052 18834 9787 1 20 . 1 1 2 2 PRO C C 2 175.857 175.857 176.281 -0.424 18834 9788 1 20 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.386 0.457 18834 9789 1 20 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.475 -0.207 18834 9790 1 20 . 1 1 3 3 LYS N N 3 124.698 124.698 121.352 3.346 18834 9791 1 20 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.551 0.039 18834 9792 1 20 . 1 1 3 3 LYS CA C 3 53.618 53.618 54.672 -1.054 18834 9793 1 20 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.099 -0.543 18834 9794 1 20 . 1 1 3 3 LYS H H 3 8.952 8.952 8.235 0.717 18834 9795 1 20 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.323 -0.379 18834 9796 1 20 . 1 1 4 4 PRO C C 4 177.504 177.504 177.551 -0.047 18834 9797 1 20 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.134 0.410 18834 9798 1 20 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.444 0.326 18834 9799 1 20 . 1 1 5 5 GLY N N 5 113.728 113.728 113.427 0.301 18834 9800 1 20 . 1 1 5 5 GLY C C 5 174.146 174.146 173.981 0.165 18834 9801 1 20 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.984 0.049 18834 9802 1 20 . 1 1 5 5 GLY H H 5 9.011 9.011 8.694 0.317 18834 9803 1 20 . 1 1 6 6 ASP N N 6 121.776 121.776 121.116 0.660 18834 9804 1 20 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.848 -0.178 18834 9805 1 20 . 1 1 6 6 ASP C C 6 175.673 175.673 175.543 0.130 18834 9806 1 20 . 1 1 6 6 ASP CA C 6 54.918 54.918 53.274 1.644 18834 9807 1 20 . 1 1 6 6 ASP CB C 6 41.446 41.446 42.497 -1.051 18834 9808 1 20 . 1 1 6 6 ASP H H 6 8.468 8.468 8.085 0.383 18834 9809 1 20 . 1 1 7 7 ILE N N 7 121.570 121.570 122.278 -0.708 18834 9810 1 20 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.922 0.409 18834 9811 1 20 . 1 1 7 7 ILE C C 7 176.824 176.824 175.725 1.099 18834 9812 1 20 . 1 1 7 7 ILE CA C 7 59.601 59.601 60.554 -0.953 18834 9813 1 20 . 1 1 7 7 ILE CB C 7 38.254 38.254 39.684 -1.431 18834 9814 1 20 . 1 1 7 7 ILE H H 7 8.362 8.362 8.226 0.136 18834 9815 1 20 . 1 1 8 8 PHE N N 8 125.816 125.816 123.709 2.107 18834 9816 1 20 . 1 1 8 8 PHE HA H 8 5.072 5.072 4.966 0.106 18834 9817 1 20 . 1 1 8 8 PHE C C 8 171.149 171.149 173.133 -1.984 18834 9818 1 20 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.279 0.250 18834 9819 1 20 . 1 1 8 8 PHE CB C 8 41.312 41.312 40.690 0.622 18834 9820 1 20 . 1 1 8 8 PHE H H 8 9.476 9.476 8.417 1.059 18834 9821 1 20 . 1 1 9 9 GLU N N 9 118.961 118.961 119.674 -0.713 18834 9822 1 20 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.311 0.902 18834 9823 1 20 . 1 1 9 9 GLU C C 9 175.995 175.995 175.697 0.298 18834 9824 1 20 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.149 -1.160 18834 9825 1 20 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.824 1.604 18834 9826 1 20 . 1 1 9 9 GLU H H 9 8.490 8.490 8.469 0.021 18834 9827 1 20 . 1 1 10 10 VAL N N 10 119.964 119.964 118.143 1.821 18834 9828 1 20 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.488 -0.351 18834 9829 1 20 . 1 1 10 10 VAL C C 10 173.221 173.221 174.060 -0.839 18834 9830 1 20 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.938 1.153 18834 9831 1 20 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.297 1.469 18834 9832 1 20 . 1 1 10 10 VAL H H 10 8.577 8.577 7.920 0.657 18834 9833 1 20 . 1 1 11 11 GLU N N 11 126.219 126.219 124.394 1.825 18834 9834 1 20 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.060 -0.105 18834 9835 1 20 . 1 1 11 11 GLU C C 11 174.538 174.538 175.492 -0.954 18834 9836 1 20 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.665 0.197 18834 9837 1 20 . 1 1 11 11 GLU CB C 11 30.836 30.836 30.386 0.450 18834 9838 1 20 . 1 1 11 11 GLU H H 11 7.794 7.794 8.320 -0.526 18834 9839 1 20 . 1 1 12 12 LEU N N 12 126.212 126.212 126.168 0.044 18834 9840 1 20 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.700 -0.054 18834 9841 1 20 . 1 1 12 12 LEU C C 12 173.916 173.916 175.057 -1.141 18834 9842 1 20 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.701 -0.564 18834 9843 1 20 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.633 -0.506 18834 9844 1 20 . 1 1 12 12 LEU H H 12 8.848 8.848 8.710 0.138 18834 9845 1 20 . 1 1 13 13 ALA N N 13 126.357 126.357 124.802 1.555 18834 9846 1 20 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.785 0.310 18834 9847 1 20 . 1 1 13 13 ALA C C 13 177.352 177.352 177.046 0.306 18834 9848 1 20 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.271 -1.351 18834 9849 1 20 . 1 1 13 13 ALA CB C 13 19.377 19.377 20.374 -0.997 18834 9850 1 20 . 1 1 13 13 ALA H H 13 8.494 8.494 8.453 0.041 18834 9851 1 20 . 1 1 14 14 LYS N N 14 120.000 120.000 119.790 0.210 18834 9852 1 20 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.060 -0.308 18834 9853 1 20 . 1 1 14 14 LYS C C 14 176.313 176.313 176.373 -0.060 18834 9854 1 20 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.973 -0.211 18834 9855 1 20 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.218 1.251 18834 9856 1 20 . 1 1 14 14 LYS H H 14 8.496 8.496 8.089 0.407 18834 9857 1 20 . 1 1 15 15 ASN N N 15 117.473 117.473 114.211 3.262 18834 9858 1 20 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.466 0.451 18834 9859 1 20 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.434 -0.947 18834 9860 1 20 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.748 1.936 18834 9861 1 20 . 1 1 15 15 ASN H H 15 8.079 8.079 8.228 -0.149 18834 9862 1 20 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.187 0.072 18834 9863 1 20 . 1 1 16 16 ASP C C 16 175.515 175.515 176.503 -0.988 18834 9864 1 20 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.407 0.113 18834 9865 1 20 . 1 1 16 16 ASP CB C 16 39.303 39.303 39.444 -0.141 18834 9866 1 20 . 1 1 17 17 ASN N N 17 110.160 110.160 112.278 -2.118 18834 9867 1 20 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.234 -0.002 18834 9868 1 20 . 1 1 17 17 ASN C C 17 174.550 174.550 174.146 0.404 18834 9869 1 20 . 1 1 17 17 ASN CA C 17 54.349 54.349 54.841 -0.492 18834 9870 1 20 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.505 -0.050 18834 9871 1 20 . 1 1 17 17 ASN H H 17 8.959 8.959 8.695 0.264 18834 9872 1 20 . 1 1 18 18 SER N N 18 112.013 112.013 115.028 -3.015 18834 9873 1 20 . 1 1 18 18 SER HA H 18 4.976 4.976 4.688 0.288 18834 9874 1 20 . 1 1 18 18 SER CA C 18 56.519 56.519 58.633 -2.114 18834 9875 1 20 . 1 1 18 18 SER CB C 18 65.053 65.053 64.231 0.823 18834 9876 1 20 . 1 1 18 18 SER H H 18 7.892 7.892 7.473 0.419 18834 9877 1 20 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.771 -0.515 18834 9878 1 20 . 1 1 19 19 LEU C C 19 176.996 176.996 176.730 0.266 18834 9879 1 20 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.361 1.583 18834 9880 1 20 . 1 1 19 19 LEU CB C 19 43.178 43.178 43.027 0.151 18834 9881 1 20 . 1 1 20 20 GLY N N 20 105.651 105.651 107.112 -1.461 18834 9882 1 20 . 1 1 20 20 GLY C C 20 176.218 176.218 173.393 2.825 18834 9883 1 20 . 1 1 20 20 GLY CA C 20 46.868 46.868 44.589 2.279 18834 9884 1 20 . 1 1 20 20 GLY H H 20 8.804 8.804 8.231 0.573 18834 9885 1 20 . 1 1 21 21 ILE N N 21 115.348 115.348 119.221 -3.873 18834 9886 1 20 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.803 0.039 18834 9887 1 20 . 1 1 21 21 ILE C C 21 175.987 175.987 176.221 -0.234 18834 9888 1 20 . 1 1 21 21 ILE CA C 21 59.795 59.795 58.890 0.905 18834 9889 1 20 . 1 1 21 21 ILE CB C 21 42.334 42.334 39.487 2.847 18834 9890 1 20 . 1 1 21 21 ILE H H 21 7.775 7.775 7.730 0.045 18834 9891 1 20 . 1 1 22 22 CYS N N 22 123.503 123.503 120.980 2.523 18834 9892 1 20 . 1 1 22 22 CYS C C 22 176.187 176.187 174.455 1.732 18834 9893 1 20 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.371 -4.592 18834 9894 1 20 . 1 1 22 22 CYS CB C 22 36.527 36.527 29.243 7.284 18834 9895 1 20 . 1 1 22 22 CYS H H 22 8.533 8.533 8.571 -0.038 18834 9896 1 20 . 1 1 23 23 VAL N N 23 114.882 114.882 115.810 -0.928 18834 9897 1 20 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.311 0.137 18834 9898 1 20 . 1 1 23 23 VAL C C 23 174.219 174.219 174.187 0.032 18834 9899 1 20 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.507 -1.085 18834 9900 1 20 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.473 -0.379 18834 9901 1 20 . 1 1 23 23 VAL H H 23 7.720 7.720 8.216 -0.496 18834 9902 1 20 . 1 1 24 24 THR N N 24 115.462 115.462 114.768 0.694 18834 9903 1 20 . 1 1 24 24 THR HA H 24 4.691 4.691 4.492 0.199 18834 9904 1 20 . 1 1 24 24 THR C C 24 171.649 171.649 173.401 -1.752 18834 9905 1 20 . 1 1 24 24 THR CA C 24 59.560 59.560 60.766 -1.206 18834 9906 1 20 . 1 1 24 24 THR CB C 24 70.573 70.573 70.719 -0.146 18834 9907 1 20 . 1 1 24 24 THR H H 24 9.175 9.175 8.438 0.737 18834 9908 1 20 . 1 1 25 25 GLY N N 25 111.734 111.734 111.541 0.193 18834 9909 1 20 . 1 1 25 25 GLY C C 25 174.216 174.216 173.841 0.375 18834 9910 1 20 . 1 1 25 25 GLY CA C 25 44.664 44.664 45.129 -0.465 18834 9911 1 20 . 1 1 25 25 GLY H H 25 8.323 8.323 8.644 -0.321 18834 9912 1 20 . 1 1 26 26 GLY N N 26 107.524 107.524 109.447 -1.923 18834 9913 1 20 . 1 1 26 26 GLY C C 26 176.306 176.306 175.335 0.971 18834 9914 1 20 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.453 -1.683 18834 9915 1 20 . 1 1 26 26 GLY H H 26 7.541 7.541 8.282 -0.741 18834 9916 1 20 . 1 1 27 27 VAL N N 27 116.903 116.903 122.599 -5.696 18834 9917 1 20 . 1 1 27 27 VAL HA H 27 4.128 4.128 3.990 0.138 18834 9918 1 20 . 1 1 27 27 VAL C C 27 175.716 175.716 176.037 -0.321 18834 9919 1 20 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.876 1.018 18834 9920 1 20 . 1 1 27 27 VAL CB C 27 31.963 31.963 31.279 0.684 18834 9921 1 20 . 1 1 27 27 VAL H H 27 8.055 8.055 7.761 0.294 18834 9922 1 20 . 1 1 28 28 ASN N N 28 117.840 117.840 114.859 2.981 18834 9923 1 20 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.493 0.310 18834 9924 1 20 . 1 1 28 28 ASN C C 28 174.846 174.846 174.631 0.215 18834 9925 1 20 . 1 1 28 28 ASN CA C 28 53.480 53.480 53.972 -0.492 18834 9926 1 20 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.553 0.201 18834 9927 1 20 . 1 1 28 28 ASN H H 28 8.779 8.779 8.542 0.237 18834 9928 1 20 . 1 1 29 29 THR N N 29 111.408 111.408 111.465 -0.057 18834 9929 1 20 . 1 1 29 29 THR HA H 29 4.690 4.690 4.622 0.068 18834 9930 1 20 . 1 1 29 29 THR CA C 29 61.624 61.624 60.105 1.519 18834 9931 1 20 . 1 1 29 29 THR CB C 29 70.939 70.939 70.577 0.362 18834 9932 1 20 . 1 1 29 29 THR H H 29 7.857 7.857 7.814 0.043 18834 9933 1 20 . 1 1 30 30 SER N N 30 113.816 113.816 114.696 -0.880 18834 9934 1 20 . 1 1 30 30 SER HA H 30 4.537 4.537 4.245 0.292 18834 9935 1 20 . 1 1 30 30 SER C C 30 174.867 174.867 175.135 -0.268 18834 9936 1 20 . 1 1 30 30 SER CA C 30 58.369 58.369 59.748 -1.379 18834 9937 1 20 . 1 1 30 30 SER CB C 30 63.547 63.547 62.623 0.923 18834 9938 1 20 . 1 1 30 30 SER H H 30 8.438 8.438 8.454 -0.016 18834 9939 1 20 . 1 1 31 31 VAL N N 31 118.013 118.013 116.894 1.119 18834 9940 1 20 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.892 0.206 18834 9941 1 20 . 1 1 31 31 VAL C C 31 176.528 176.528 175.439 1.089 18834 9942 1 20 . 1 1 31 31 VAL CA C 31 62.070 62.070 62.479 -0.409 18834 9943 1 20 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.549 -0.042 18834 9944 1 20 . 1 1 31 31 VAL H H 31 7.567 7.567 7.231 0.336 18834 9945 1 20 . 1 1 32 32 ARG N N 32 124.719 124.719 124.995 -0.276 18834 9946 1 20 . 1 1 32 32 ARG HA H 32 4.007 4.007 4.140 -0.133 18834 9947 1 20 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.332 -0.323 18834 9948 1 20 . 1 1 32 32 ARG CB C 32 29.571 29.571 30.872 -1.302 18834 9949 1 20 . 1 1 32 32 ARG H H 32 8.501 8.501 8.488 0.013 18834 9950 1 20 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.417 0.160 18834 9951 1 20 . 1 1 33 33 HIS C C 33 175.064 175.064 175.304 -0.240 18834 9952 1 20 . 1 1 33 33 HIS CA C 33 56.814 56.814 56.263 0.551 18834 9953 1 20 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.761 -1.669 18834 9954 1 20 . 1 1 34 34 GLY N N 34 109.357 109.357 107.107 2.250 18834 9955 1 20 . 1 1 34 34 GLY C C 34 174.616 174.616 172.584 2.032 18834 9956 1 20 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.190 1.404 18834 9957 1 20 . 1 1 34 34 GLY H H 34 8.469 8.469 7.753 0.716 18834 9958 1 20 . 1 1 35 35 GLY N N 35 104.989 104.989 106.053 -1.064 18834 9959 1 20 . 1 1 35 35 GLY C C 35 170.518 170.518 173.057 -2.539 18834 9960 1 20 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.247 1.394 18834 9961 1 20 . 1 1 35 35 GLY H H 35 7.787 7.787 7.603 0.184 18834 9962 1 20 . 1 1 36 36 ILE N N 36 119.808 119.808 121.260 -1.452 18834 9963 1 20 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.674 0.072 18834 9964 1 20 . 1 1 36 36 ILE C C 36 174.616 174.616 175.093 -0.477 18834 9965 1 20 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.136 -3.181 18834 9966 1 20 . 1 1 36 36 ILE CB C 36 35.618 35.618 37.440 -1.822 18834 9967 1 20 . 1 1 36 36 ILE H H 36 8.362 8.362 7.849 0.513 18834 9968 1 20 . 1 1 37 37 TYR N N 37 123.168 123.168 127.148 -3.980 18834 9969 1 20 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.894 0.374 18834 9970 1 20 . 1 1 37 37 TYR C C 37 176.069 176.069 175.965 0.104 18834 9971 1 20 . 1 1 37 37 TYR CA C 37 55.959 55.959 56.806 -0.847 18834 9972 1 20 . 1 1 37 37 TYR CB C 37 42.436 42.436 40.997 1.439 18834 9973 1 20 . 1 1 37 37 TYR H H 37 8.904 8.904 9.420 -0.516 18834 9974 1 20 . 1 1 38 38 VAL N N 38 120.273 120.273 121.734 -1.461 18834 9975 1 20 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.276 -0.477 18834 9976 1 20 . 1 1 38 38 VAL C C 38 175.886 175.886 176.456 -0.570 18834 9977 1 20 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.630 1.454 18834 9978 1 20 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.788 0.656 18834 9979 1 20 . 1 1 38 38 VAL H H 38 9.230 9.230 9.104 0.126 18834 9980 1 20 . 1 1 39 39 LYS N N 39 133.619 133.619 130.118 3.501 18834 9981 1 20 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.129 0.260 18834 9982 1 20 . 1 1 39 39 LYS C C 39 174.763 174.763 175.744 -0.981 18834 9983 1 20 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.572 -1.036 18834 9984 1 20 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.063 1.476 18834 9985 1 20 . 1 1 39 39 LYS H H 39 9.584 9.584 8.436 1.148 18834 9986 1 20 . 1 1 40 40 ALA N N 40 117.459 117.459 117.779 -0.320 18834 9987 1 20 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.436 0.068 18834 9988 1 20 . 1 1 40 40 ALA C C 40 174.686 174.686 174.355 0.331 18834 9989 1 20 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.731 0.166 18834 9990 1 20 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.121 1.124 18834 9991 1 20 . 1 1 40 40 ALA H H 40 7.584 7.584 7.396 0.188 18834 9992 1 20 . 1 1 41 41 VAL N N 41 120.599 120.599 119.743 0.856 18834 9993 1 20 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.376 0.003 18834 9994 1 20 . 1 1 41 41 VAL C C 41 175.714 175.714 175.243 0.471 18834 9995 1 20 . 1 1 41 41 VAL CA C 41 61.149 61.149 60.955 0.194 18834 9996 1 20 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.055 -1.549 18834 9997 1 20 . 1 1 41 41 VAL H H 41 8.747 8.747 8.222 0.525 18834 9998 1 20 . 1 1 42 42 ILE N N 42 127.775 127.775 124.891 2.884 18834 9999 1 20 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.571 -0.444 18834 10000 1 20 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.802 1.024 18834 10001 1 20 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.881 0.335 18834 10002 1 20 . 1 1 42 42 ILE H H 42 7.827 7.827 8.208 -0.381 18834 10003 1 20 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.517 -0.042 18834 10004 1 20 . 1 1 43 43 PRO C C 43 177.234 177.234 176.623 0.611 18834 10005 1 20 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.688 1.489 18834 10006 1 20 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.421 -0.620 18834 10007 1 20 . 1 1 44 44 GLN N N 44 116.932 116.932 115.084 1.848 18834 10008 1 20 . 1 1 44 44 GLN HA H 44 3.848 3.848 4.005 -0.157 18834 10009 1 20 . 1 1 44 44 GLN C C 44 175.628 175.628 175.127 0.501 18834 10010 1 20 . 1 1 44 44 GLN CA C 44 58.141 58.141 56.864 1.277 18834 10011 1 20 . 1 1 44 44 GLN CB C 44 26.441 26.441 26.904 -0.463 18834 10012 1 20 . 1 1 44 44 GLN H H 44 9.388 9.388 8.654 0.734 18834 10013 1 20 . 1 1 45 45 GLY N N 45 106.131 106.131 102.744 3.387 18834 10014 1 20 . 1 1 45 45 GLY C C 45 174.404 174.404 172.677 1.727 18834 10015 1 20 . 1 1 45 45 GLY CA C 45 44.658 44.658 44.957 -0.299 18834 10016 1 20 . 1 1 45 45 GLY H H 45 7.875 7.875 7.611 0.264 18834 10017 1 20 . 1 1 46 46 ALA N N 46 121.011 121.011 123.565 -2.554 18834 10018 1 20 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.055 -0.004 18834 10019 1 20 . 1 1 46 46 ALA C C 46 180.673 180.673 178.569 2.104 18834 10020 1 20 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.446 -0.401 18834 10021 1 20 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.874 -0.366 18834 10022 1 20 . 1 1 46 46 ALA H H 46 9.017 9.017 8.965 0.052 18834 10023 1 20 . 1 1 47 47 ALA N N 47 118.848 118.848 121.192 -2.344 18834 10024 1 20 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.899 0.169 18834 10025 1 20 . 1 1 47 47 ALA C C 47 180.699 180.699 179.681 1.018 18834 10026 1 20 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.178 -0.261 18834 10027 1 20 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.893 0.737 18834 10028 1 20 . 1 1 47 47 ALA H H 47 7.754 7.754 8.288 -0.534 18834 10029 1 20 . 1 1 48 48 GLU N N 48 124.400 124.400 119.358 5.042 18834 10030 1 20 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.061 -0.238 18834 10031 1 20 . 1 1 48 48 GLU C C 48 178.174 178.174 178.897 -0.723 18834 10032 1 20 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.449 1.460 18834 10033 1 20 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.082 0.677 18834 10034 1 20 . 1 1 48 48 GLU H H 48 9.317 9.317 8.573 0.744 18834 10035 1 20 . 1 1 49 49 SER N N 49 113.388 113.388 114.992 -1.604 18834 10036 1 20 . 1 1 49 49 SER HA H 49 4.100 4.100 4.196 -0.096 18834 10037 1 20 . 1 1 49 49 SER C C 49 175.693 175.693 176.212 -0.519 18834 10038 1 20 . 1 1 49 49 SER CA C 49 61.233 61.233 60.935 0.298 18834 10039 1 20 . 1 1 49 49 SER CB C 49 62.780 62.780 63.282 -0.503 18834 10040 1 20 . 1 1 49 49 SER H H 49 8.115 8.115 8.207 -0.092 18834 10041 1 20 . 1 1 50 50 ASP N N 50 120.047 120.047 119.377 0.670 18834 10042 1 20 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.698 -0.320 18834 10043 1 20 . 1 1 50 50 ASP C C 50 177.650 177.650 177.081 0.569 18834 10044 1 20 . 1 1 50 50 ASP CA C 50 57.214 57.214 53.780 3.434 18834 10045 1 20 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.484 2.757 18834 10046 1 20 . 1 1 50 50 ASP H H 50 7.609 7.609 7.967 -0.358 18834 10047 1 20 . 1 1 51 51 GLY N N 51 102.979 102.979 108.055 -5.076 18834 10048 1 20 . 1 1 51 51 GLY C C 51 174.977 174.977 174.818 0.159 18834 10049 1 20 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.727 0.625 18834 10050 1 20 . 1 1 51 51 GLY H H 51 7.372 7.372 7.985 -0.613 18834 10051 1 20 . 1 1 52 52 ARG N N 52 117.579 117.579 117.803 -0.224 18834 10052 1 20 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.389 -0.075 18834 10053 1 20 . 1 1 52 52 ARG C C 52 175.886 175.886 175.442 0.444 18834 10054 1 20 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.518 2.376 18834 10055 1 20 . 1 1 52 52 ARG CB C 52 33.246 33.246 31.145 2.101 18834 10056 1 20 . 1 1 52 52 ARG H H 52 7.966 7.966 7.585 0.381 18834 10057 1 20 . 1 1 53 53 ILE N N 53 120.155 120.155 119.021 1.134 18834 10058 1 20 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.235 0.001 18834 10059 1 20 . 1 1 53 53 ILE C C 53 173.773 173.773 173.852 -0.079 18834 10060 1 20 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.169 1.236 18834 10061 1 20 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.429 -1.788 18834 10062 1 20 . 1 1 53 53 ILE H H 53 8.225 8.225 7.369 0.856 18834 10063 1 20 . 1 1 54 54 HIS N N 54 123.751 123.751 122.890 0.861 18834 10064 1 20 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.917 -0.127 18834 10065 1 20 . 1 1 54 54 HIS C C 54 173.696 173.696 174.667 -0.971 18834 10066 1 20 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.073 0.771 18834 10067 1 20 . 1 1 54 54 HIS CB C 54 33.566 33.566 34.223 -0.657 18834 10068 1 20 . 1 1 54 54 HIS H H 54 9.061 9.061 8.235 0.826 18834 10069 1 20 . 1 1 55 55 LYS N N 55 120.590 120.590 120.995 -0.405 18834 10070 1 20 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.262 -0.636 18834 10071 1 20 . 1 1 55 55 LYS C C 55 176.916 176.916 177.722 -0.806 18834 10072 1 20 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.562 0.742 18834 10073 1 20 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.632 -0.211 18834 10074 1 20 . 1 1 55 55 LYS H H 55 8.670 8.670 8.590 0.080 18834 10075 1 20 . 1 1 56 56 GLY N N 56 114.645 114.645 113.240 1.405 18834 10076 1 20 . 1 1 56 56 GLY C C 56 174.438 174.438 174.241 0.197 18834 10077 1 20 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.872 -0.110 18834 10078 1 20 . 1 1 56 56 GLY H H 56 9.201 9.201 8.856 0.345 18834 10079 1 20 . 1 1 57 57 ASP N N 57 121.982 121.982 124.100 -2.118 18834 10080 1 20 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.852 0.035 18834 10081 1 20 . 1 1 57 57 ASP C C 57 174.623 174.623 175.204 -0.581 18834 10082 1 20 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.459 0.377 18834 10083 1 20 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.599 -0.516 18834 10084 1 20 . 1 1 57 57 ASP H H 57 8.058 8.058 7.658 0.400 18834 10085 1 20 . 1 1 58 58 ARG N N 58 123.240 123.240 117.511 5.729 18834 10086 1 20 . 1 1 58 58 ARG HA H 58 4.615 4.615 5.029 -0.414 18834 10087 1 20 . 1 1 58 58 ARG C C 58 175.573 175.573 175.048 0.525 18834 10088 1 20 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.104 0.417 18834 10089 1 20 . 1 1 58 58 ARG CB C 58 33.701 33.701 33.575 0.126 18834 10090 1 20 . 1 1 58 58 ARG H H 58 9.078 9.078 8.756 0.322 18834 10091 1 20 . 1 1 59 59 VAL N N 59 126.202 126.202 120.403 5.799 18834 10092 1 20 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.414 -0.551 18834 10093 1 20 . 1 1 59 59 VAL C C 59 174.458 174.458 175.647 -1.189 18834 10094 1 20 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.400 -0.197 18834 10095 1 20 . 1 1 59 59 VAL CB C 59 30.998 30.998 32.008 -1.010 18834 10096 1 20 . 1 1 59 59 VAL H H 59 8.897 8.897 8.653 0.244 18834 10097 1 20 . 1 1 60 60 LEU N N 60 127.163 127.163 127.975 -0.812 18834 10098 1 20 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.317 -0.021 18834 10099 1 20 . 1 1 60 60 LEU C C 60 178.289 178.289 176.468 1.821 18834 10100 1 20 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.342 -0.288 18834 10101 1 20 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.804 -0.192 18834 10102 1 20 . 1 1 60 60 LEU H H 60 9.213 9.213 8.657 0.556 18834 10103 1 20 . 1 1 61 61 ALA N N 61 118.886 118.886 117.410 1.476 18834 10104 1 20 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.137 -0.183 18834 10105 1 20 . 1 1 61 61 ALA C C 61 175.288 175.288 175.328 -0.040 18834 10106 1 20 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.449 1.830 18834 10107 1 20 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.337 -0.240 18834 10108 1 20 . 1 1 61 61 ALA H H 61 7.741 7.741 7.282 0.459 18834 10109 1 20 . 1 1 62 62 VAL N N 62 119.929 119.929 120.310 -0.381 18834 10110 1 20 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.606 -0.156 18834 10111 1 20 . 1 1 62 62 VAL C C 62 175.323 175.323 176.541 -1.218 18834 10112 1 20 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.323 0.095 18834 10113 1 20 . 1 1 62 62 VAL CB C 62 34.050 34.050 35.072 -1.022 18834 10114 1 20 . 1 1 62 62 VAL H H 62 8.256 8.256 8.548 -0.292 18834 10115 1 20 . 1 1 63 63 ASN N N 63 128.933 128.933 126.810 2.123 18834 10116 1 20 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.261 0.284 18834 10117 1 20 . 1 1 63 63 ASN C C 63 175.197 175.197 175.360 -0.163 18834 10118 1 20 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.546 -0.378 18834 10119 1 20 . 1 1 63 63 ASN CB C 63 36.896 36.896 38.313 -1.417 18834 10120 1 20 . 1 1 63 63 ASN H H 63 10.392 10.392 9.434 0.958 18834 10121 1 20 . 1 1 64 64 GLY N N 64 103.413 103.413 103.375 0.038 18834 10122 1 20 . 1 1 64 64 GLY C C 64 173.872 173.872 174.254 -0.382 18834 10123 1 20 . 1 1 64 64 GLY CA C 64 45.171 45.171 45.278 -0.107 18834 10124 1 20 . 1 1 64 64 GLY H H 64 9.085 9.085 8.534 0.551 18834 10125 1 20 . 1 1 65 65 VAL N N 65 123.643 123.643 123.479 0.164 18834 10126 1 20 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.108 -0.160 18834 10127 1 20 . 1 1 65 65 VAL C C 65 175.645 175.645 175.551 0.094 18834 10128 1 20 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.528 0.608 18834 10129 1 20 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.998 -0.358 18834 10130 1 20 . 1 1 65 65 VAL H H 65 8.028 8.028 8.028 -0.000 18834 10131 1 20 . 1 1 66 66 SER N N 66 120.923 120.923 124.414 -3.491 18834 10132 1 20 . 1 1 66 66 SER HA H 66 4.334 4.334 4.171 0.163 18834 10133 1 20 . 1 1 66 66 SER C C 66 176.388 176.388 173.807 2.581 18834 10134 1 20 . 1 1 66 66 SER CA C 66 58.342 58.342 59.960 -1.618 18834 10135 1 20 . 1 1 66 66 SER CB C 66 63.562 63.562 63.293 0.269 18834 10136 1 20 . 1 1 66 66 SER H H 66 8.647 8.647 8.759 -0.112 18834 10137 1 20 . 1 1 67 67 LEU N N 67 125.116 125.116 126.496 -1.380 18834 10138 1 20 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.649 -0.211 18834 10139 1 20 . 1 1 67 67 LEU C C 67 176.462 176.462 176.192 0.270 18834 10140 1 20 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.095 -0.363 18834 10141 1 20 . 1 1 67 67 LEU CB C 67 40.890 40.890 43.029 -2.139 18834 10142 1 20 . 1 1 67 67 LEU H H 67 8.292 8.292 9.000 -0.708 18834 10143 1 20 . 1 1 68 68 GLU N N 68 123.552 123.552 120.026 3.526 18834 10144 1 20 . 1 1 68 68 GLU HA H 68 4.035 4.035 3.949 0.086 18834 10145 1 20 . 1 1 68 68 GLU C C 68 177.767 177.767 176.921 0.846 18834 10146 1 20 . 1 1 68 68 GLU CA C 68 58.571 58.571 58.216 0.355 18834 10147 1 20 . 1 1 68 68 GLU CB C 68 29.052 29.052 28.990 0.062 18834 10148 1 20 . 1 1 68 68 GLU H H 68 8.305 8.305 7.702 0.603 18834 10149 1 20 . 1 1 69 69 GLY N N 69 115.496 115.496 112.647 2.849 18834 10150 1 20 . 1 1 69 69 GLY C C 69 173.618 173.618 174.225 -0.607 18834 10151 1 20 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.833 0.563 18834 10152 1 20 . 1 1 69 69 GLY H H 69 8.977 8.977 8.414 0.563 18834 10153 1 20 . 1 1 70 70 ALA N N 70 121.999 121.999 124.686 -2.687 18834 10154 1 20 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.640 -0.138 18834 10155 1 20 . 1 1 70 70 ALA C C 70 179.820 179.820 176.754 3.066 18834 10156 1 20 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.356 1.059 18834 10157 1 20 . 1 1 70 70 ALA CB C 70 19.638 19.638 20.143 -0.505 18834 10158 1 20 . 1 1 70 70 ALA H H 70 7.807 7.807 8.034 -0.227 18834 10159 1 20 . 1 1 71 71 THR N N 71 111.294 111.294 113.258 -1.964 18834 10160 1 20 . 1 1 71 71 THR HA H 71 4.515 4.515 4.340 0.175 18834 10161 1 20 . 1 1 71 71 THR C C 71 174.717 174.717 176.225 -1.508 18834 10162 1 20 . 1 1 71 71 THR CA C 71 60.692 60.692 60.288 0.404 18834 10163 1 20 . 1 1 71 71 THR CB C 71 71.274 71.274 70.618 0.656 18834 10164 1 20 . 1 1 71 71 THR H H 71 8.222 8.222 8.068 0.154 18834 10165 1 20 . 1 1 72 72 HIS N N 72 121.871 121.871 119.683 2.188 18834 10166 1 20 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.256 -0.396 18834 10167 1 20 . 1 1 72 72 HIS C C 72 176.702 176.702 177.735 -1.033 18834 10168 1 20 . 1 1 72 72 HIS CA C 72 61.983 61.983 59.823 2.160 18834 10169 1 20 . 1 1 72 72 HIS CB C 72 30.047 30.047 29.078 0.969 18834 10170 1 20 . 1 1 72 72 HIS H H 72 9.217 9.217 8.624 0.593 18834 10171 1 20 . 1 1 73 73 LYS N N 73 116.941 116.941 120.062 -3.121 18834 10172 1 20 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.941 -0.117 18834 10173 1 20 . 1 1 73 73 LYS C C 73 178.288 178.288 178.909 -0.621 18834 10174 1 20 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.651 -0.301 18834 10175 1 20 . 1 1 73 73 LYS CB C 73 32.811 32.811 32.175 0.636 18834 10176 1 20 . 1 1 73 73 LYS H H 73 8.429 8.429 8.442 -0.013 18834 10177 1 20 . 1 1 74 74 GLN N N 74 116.915 116.915 118.470 -1.555 18834 10178 1 20 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.924 -0.055 18834 10179 1 20 . 1 1 74 74 GLN C C 74 179.732 179.732 178.603 1.129 18834 10180 1 20 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.857 -0.258 18834 10181 1 20 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.495 -0.144 18834 10182 1 20 . 1 1 74 74 GLN H H 74 7.660 7.660 7.802 -0.142 18834 10183 1 20 . 1 1 75 75 ALA N N 75 122.673 122.673 122.835 -0.162 18834 10184 1 20 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.930 -0.142 18834 10185 1 20 . 1 1 75 75 ALA C C 75 179.078 179.078 179.562 -0.484 18834 10186 1 20 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.533 0.033 18834 10187 1 20 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.467 0.384 18834 10188 1 20 . 1 1 75 75 ALA H H 75 8.379 8.379 8.392 -0.013 18834 10189 1 20 . 1 1 76 76 VAL N N 76 112.831 112.831 115.137 -2.306 18834 10190 1 20 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.796 -0.291 18834 10191 1 20 . 1 1 76 76 VAL CA C 76 65.895 65.895 65.403 0.492 18834 10192 1 20 . 1 1 76 76 VAL CB C 76 30.691 30.691 30.904 -0.213 18834 10193 1 20 . 1 1 76 76 VAL H H 76 8.239 8.239 7.910 0.329 18834 10194 1 20 . 1 1 77 77 CYS C C 77 177.150 177.150 177.599 -0.449 18834 10195 1 20 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.083 -2.692 18834 10196 1 20 . 1 1 77 77 CYS CB C 77 35.782 35.782 24.994 10.788 18834 10197 1 20 . 1 1 78 78 THR N N 78 117.507 117.507 117.110 0.397 18834 10198 1 20 . 1 1 78 78 THR HA H 78 3.858 3.858 4.050 -0.192 18834 10199 1 20 . 1 1 78 78 THR C C 78 176.460 176.460 176.009 0.451 18834 10200 1 20 . 1 1 78 78 THR CA C 78 67.123 67.123 66.163 0.960 18834 10201 1 20 . 1 1 78 78 THR CB C 78 68.123 68.123 68.748 -0.625 18834 10202 1 20 . 1 1 78 78 THR H H 78 8.015 8.015 8.238 -0.223 18834 10203 1 20 . 1 1 79 79 LEU N N 79 119.666 119.666 120.923 -1.257 18834 10204 1 20 . 1 1 79 79 LEU HA H 79 3.750 3.750 4.058 -0.308 18834 10205 1 20 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.562 0.628 18834 10206 1 20 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.915 0.157 18834 10207 1 20 . 1 1 79 79 LEU H H 79 7.984 7.984 7.798 0.186 18834 10208 1 20 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.229 -0.032 18834 10209 1 20 . 1 1 80 80 ARG C C 80 177.750 177.750 177.944 -0.194 18834 10210 1 20 . 1 1 80 80 ARG CA C 80 58.307 58.307 57.621 0.686 18834 10211 1 20 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.795 -0.703 18834 10212 1 20 . 1 1 81 81 ASN N N 81 119.843 119.843 118.593 1.250 18834 10213 1 20 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.669 0.315 18834 10214 1 20 . 1 1 81 81 ASN C C 81 174.819 174.819 174.977 -0.158 18834 10215 1 20 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.755 -0.642 18834 10216 1 20 . 1 1 81 81 ASN CB C 81 37.668 37.668 36.884 0.784 18834 10217 1 20 . 1 1 81 81 ASN H H 81 7.648 7.648 8.358 -0.710 18834 10218 1 20 . 1 1 82 82 THR N N 82 109.907 109.907 112.535 -2.628 18834 10219 1 20 . 1 1 82 82 THR HA H 82 4.447 4.447 4.581 -0.134 18834 10220 1 20 . 1 1 82 82 THR C C 82 175.114 175.114 174.161 0.953 18834 10221 1 20 . 1 1 82 82 THR CA C 82 59.944 59.944 59.822 0.123 18834 10222 1 20 . 1 1 82 82 THR CB C 82 72.611 72.611 70.758 1.853 18834 10223 1 20 . 1 1 82 82 THR H H 82 7.668 7.668 7.876 -0.208 18834 10224 1 20 . 1 1 83 83 GLY N N 83 109.505 109.505 107.101 2.404 18834 10225 1 20 . 1 1 83 83 GLY C C 83 173.467 173.467 174.318 -0.851 18834 10226 1 20 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.532 -0.440 18834 10227 1 20 . 1 1 83 83 GLY H H 83 8.421 8.421 8.502 -0.081 18834 10228 1 20 . 1 1 84 84 GLN N N 84 117.276 117.276 118.992 -1.716 18834 10229 1 20 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.128 -0.165 18834 10230 1 20 . 1 1 84 84 GLN C C 84 175.254 175.254 175.772 -0.518 18834 10231 1 20 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.476 -0.033 18834 10232 1 20 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.092 -0.119 18834 10233 1 20 . 1 1 84 84 GLN H H 84 8.224 8.224 8.379 -0.155 18834 10234 1 20 . 1 1 85 85 VAL N N 85 116.186 116.186 116.247 -0.061 18834 10235 1 20 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.375 0.279 18834 10236 1 20 . 1 1 85 85 VAL C C 85 175.879 175.879 175.361 0.518 18834 10237 1 20 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.083 0.215 18834 10238 1 20 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.063 0.067 18834 10239 1 20 . 1 1 85 85 VAL H H 85 7.699 7.699 7.726 -0.027 18834 10240 1 20 . 1 1 86 86 VAL N N 86 128.499 128.499 124.272 4.227 18834 10241 1 20 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.530 -0.083 18834 10242 1 20 . 1 1 86 86 VAL C C 86 173.365 173.365 175.092 -1.727 18834 10243 1 20 . 1 1 86 86 VAL CA C 86 60.965 60.965 60.218 0.747 18834 10244 1 20 . 1 1 86 86 VAL CB C 86 34.987 34.987 35.363 -0.376 18834 10245 1 20 . 1 1 86 86 VAL H H 86 9.043 9.043 9.034 0.009 18834 10246 1 20 . 1 1 87 87 HIS N N 87 126.357 126.357 125.219 1.138 18834 10247 1 20 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.403 -0.407 18834 10248 1 20 . 1 1 87 87 HIS C C 87 174.387 174.387 174.420 -0.033 18834 10249 1 20 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.535 1.267 18834 10250 1 20 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.134 0.045 18834 10251 1 20 . 1 1 87 87 HIS H H 87 8.855 8.855 8.802 0.053 18834 10252 1 20 . 1 1 88 88 LEU N N 88 126.780 126.780 122.784 3.996 18834 10253 1 20 . 1 1 88 88 LEU HA H 88 4.960 4.960 5.326 -0.366 18834 10254 1 20 . 1 1 88 88 LEU C C 88 173.365 173.365 174.711 -1.346 18834 10255 1 20 . 1 1 88 88 LEU CA C 88 53.494 53.494 52.786 0.708 18834 10256 1 20 . 1 1 88 88 LEU CB C 88 45.187 45.187 42.466 2.721 18834 10257 1 20 . 1 1 88 88 LEU H H 88 9.016 9.016 8.063 0.953 18834 10258 1 20 . 1 1 89 89 LEU N N 89 124.435 124.435 124.511 -0.076 18834 10259 1 20 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.597 0.124 18834 10260 1 20 . 1 1 89 89 LEU C C 89 175.213 175.213 176.258 -1.045 18834 10261 1 20 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.344 -0.683 18834 10262 1 20 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.529 2.862 18834 10263 1 20 . 1 1 89 89 LEU H H 89 7.965 7.965 8.318 -0.353 18834 10264 1 20 . 1 1 90 90 LEU N N 90 127.444 127.444 121.122 6.322 18834 10265 1 20 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.143 0.140 18834 10266 1 20 . 1 1 90 90 LEU C C 90 173.560 173.560 175.831 -2.271 18834 10267 1 20 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.131 1.957 18834 10268 1 20 . 1 1 90 90 LEU CB C 90 45.956 45.956 43.143 2.813 18834 10269 1 20 . 1 1 90 90 LEU H H 90 8.909 8.909 8.541 0.368 18834 10270 1 20 . 1 1 91 91 GLU N N 91 118.954 118.954 120.466 -1.512 18834 10271 1 20 . 1 1 91 91 GLU HA H 91 5.062 5.062 4.900 0.162 18834 10272 1 20 . 1 1 91 91 GLU C C 91 176.652 176.652 175.860 0.792 18834 10273 1 20 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.116 -0.329 18834 10274 1 20 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.552 0.294 18834 10275 1 20 . 1 1 91 91 GLU H H 91 8.813 8.813 8.935 -0.122 18834 10276 1 20 . 1 1 92 92 LYS N N 92 129.055 129.055 126.028 3.027 18834 10277 1 20 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.495 -0.108 18834 10278 1 20 . 1 1 92 92 LYS C C 92 178.000 178.000 177.658 0.342 18834 10279 1 20 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.374 -0.112 18834 10280 1 20 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.587 -0.516 18834 10281 1 20 . 1 1 92 92 LYS H H 92 9.362 9.362 8.772 0.590 18834 10282 1 20 . 1 1 93 93 GLY N N 93 117.893 117.893 110.085 7.808 18834 10283 1 20 . 1 1 93 93 GLY C C 93 173.147 173.147 173.796 -0.649 18834 10284 1 20 . 1 1 93 93 GLY CA C 93 45.173 45.173 44.724 0.449 18834 10285 1 20 . 1 1 93 93 GLY H H 93 9.698 9.698 9.232 0.466 18834 10286 1 20 . 1 1 94 94 GLN N N 94 116.797 116.797 119.175 -2.378 18834 10287 1 20 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.399 -0.137 18834 10288 1 20 . 1 1 94 94 GLN C C 94 175.942 175.942 176.124 -0.182 18834 10289 1 20 . 1 1 94 94 GLN CA C 94 55.514 55.514 55.997 -0.483 18834 10290 1 20 . 1 1 94 94 GLN CB C 94 29.688 29.688 29.702 -0.014 18834 10291 1 20 . 1 1 94 94 GLN H H 94 8.252 8.252 8.722 -0.470 18834 10292 1 20 . 1 1 95 95 SER N N 95 118.117 118.117 120.959 -2.842 18834 10293 1 20 . 1 1 95 95 SER HA H 95 4.658 4.658 4.490 0.168 18834 10294 1 20 . 1 1 95 95 SER CA C 95 56.588 56.588 57.458 -0.869 18834 10295 1 20 . 1 1 95 95 SER CB C 95 63.194 63.194 62.947 0.247 18834 10296 1 20 . 1 1 95 95 SER H H 95 8.377 8.377 8.426 -0.049 18834 10297 1 20 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.536 -0.059 18834 10298 1 20 . 1 1 96 96 PRO C C 96 176.291 176.291 176.347 -0.056 18834 10299 1 20 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.867 0.645 18834 10300 1 20 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.374 -0.421 18834 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 86 2.925 -0.349 2.921 18834 2 1 1 "Average Difference" HA 106 0.355 -0.034 0.355 18834 3 1 1 "Average Difference" C 86 1.112 0.004 1.119 18834 4 1 1 "Average Difference" CA 95 1.216 -0.071 1.220 18834 5 1 1 "Average Difference" CB 82 1.702 -0.421 1.659 18834 6 1 1 "Average Difference" HN 86 0.483 -0.214 0.435 18834 7 1 2 "Average Difference" N 86 2.707 -0.236 2.712 18834 8 1 2 "Average Difference" HA 106 0.354 -0.035 0.354 18834 9 1 2 "Average Difference" C 86 0.994 0.018 0.999 18834 10 1 2 "Average Difference" CA 95 1.129 -0.035 1.135 18834 11 1 2 "Average Difference" CB 82 1.837 -0.476 1.786 18834 12 1 2 "Average Difference" HN 86 0.485 -0.210 0.440 18834 13 1 3 "Average Difference" N 86 2.966 -0.471 2.946 18834 14 1 3 "Average Difference" HA 106 0.359 -0.039 0.359 18834 15 1 3 "Average Difference" C 86 1.080 -0.026 1.086 18834 16 1 3 "Average Difference" CA 95 1.152 -0.044 1.157 18834 17 1 3 "Average Difference" CB 82 1.770 -0.425 1.729 18834 18 1 3 "Average Difference" HN 86 0.497 -0.196 0.459 18834 19 1 4 "Average Difference" N 86 2.964 -0.237 2.972 18834 20 1 4 "Average Difference" HA 106 0.363 -0.035 0.363 18834 21 1 4 "Average Difference" C 86 1.025 0.014 1.031 18834 22 1 4 "Average Difference" CA 95 1.126 -0.042 1.131 18834 23 1 4 "Average Difference" CB 82 1.798 -0.429 1.757 18834 24 1 4 "Average Difference" HN 86 0.468 -0.173 0.437 18834 25 1 5 "Average Difference" N 86 2.598 -0.231 2.603 18834 26 1 5 "Average Difference" HA 106 0.375 -0.033 0.376 18834 27 1 5 "Average Difference" C 86 1.073 0.022 1.079 18834 28 1 5 "Average Difference" CA 95 1.206 -0.062 1.211 18834 29 1 5 "Average Difference" CB 82 1.748 -0.401 1.712 18834 30 1 5 "Average Difference" HN 86 0.494 -0.189 0.459 18834 31 1 6 "Average Difference" N 86 2.999 -0.231 3.007 18834 32 1 6 "Average Difference" HA 106 0.358 -0.041 0.358 18834 33 1 6 "Average Difference" C 86 1.089 -0.042 1.094 18834 34 1 6 "Average Difference" CA 95 1.101 -0.062 1.105 18834 35 1 6 "Average Difference" CB 82 1.821 -0.410 1.785 18834 36 1 6 "Average Difference" HN 86 0.493 -0.206 0.451 18834 37 1 7 "Average Difference" N 86 2.995 -0.373 2.989 18834 38 1 7 "Average Difference" HA 106 0.392 -0.067 0.388 18834 39 1 7 "Average Difference" C 86 1.056 -0.027 1.062 18834 40 1 7 "Average Difference" CA 95 1.163 -0.082 1.166 18834 41 1 7 "Average Difference" CB 82 1.765 -0.461 1.714 18834 42 1 7 "Average Difference" HN 86 0.539 -0.235 0.488 18834 43 1 8 "Average Difference" N 86 2.914 -0.191 2.925 18834 44 1 8 "Average Difference" HA 106 0.353 -0.047 0.352 18834 45 1 8 "Average Difference" C 86 1.080 0.003 1.086 18834 46 1 8 "Average Difference" CA 95 1.219 -0.052 1.224 18834 47 1 8 "Average Difference" CB 82 1.870 -0.426 1.832 18834 48 1 8 "Average Difference" HN 86 0.488 -0.198 0.448 18834 49 1 9 "Average Difference" N 86 2.737 -0.275 2.739 18834 50 1 9 "Average Difference" HA 106 0.354 -0.030 0.355 18834 51 1 9 "Average Difference" C 86 1.058 -0.044 1.063 18834 52 1 9 "Average Difference" CA 95 1.135 -0.094 1.137 18834 53 1 9 "Average Difference" CB 82 1.861 -0.389 1.831 18834 54 1 9 "Average Difference" HN 86 0.470 -0.216 0.420 18834 55 1 10 "Average Difference" N 86 2.959 -0.448 2.942 18834 56 1 10 "Average Difference" HA 106 0.372 -0.066 0.368 18834 57 1 10 "Average Difference" C 86 1.081 0.049 1.086 18834 58 1 10 "Average Difference" CA 95 1.186 0.013 1.192 18834 59 1 10 "Average Difference" CB 82 1.712 -0.449 1.662 18834 60 1 10 "Average Difference" HN 86 0.503 -0.237 0.447 18834 61 1 11 "Average Difference" N 86 3.009 -0.523 2.980 18834 62 1 11 "Average Difference" HA 106 0.374 -0.050 0.372 18834 63 1 11 "Average Difference" C 86 1.042 0.058 1.047 18834 64 1 11 "Average Difference" CA 95 1.179 -0.093 1.182 18834 65 1 11 "Average Difference" CB 82 1.781 -0.448 1.734 18834 66 1 11 "Average Difference" HN 86 0.505 -0.211 0.461 18834 67 1 12 "Average Difference" N 86 3.255 -0.397 3.250 18834 68 1 12 "Average Difference" HA 106 0.363 -0.029 0.364 18834 69 1 12 "Average Difference" C 86 0.979 -0.020 0.984 18834 70 1 12 "Average Difference" CA 95 1.127 -0.077 1.130 18834 71 1 12 "Average Difference" CB 82 1.718 -0.303 1.702 18834 72 1 12 "Average Difference" HN 86 0.477 -0.189 0.440 18834 73 1 13 "Average Difference" N 86 2.900 -0.481 2.877 18834 74 1 13 "Average Difference" HA 106 0.366 -0.051 0.364 18834 75 1 13 "Average Difference" C 86 1.104 0.009 1.110 18834 76 1 13 "Average Difference" CA 95 1.106 -0.103 1.107 18834 77 1 13 "Average Difference" CB 82 1.764 -0.405 1.728 18834 78 1 13 "Average Difference" HN 86 0.503 -0.191 0.468 18834 79 1 14 "Average Difference" N 86 2.562 -0.315 2.558 18834 80 1 14 "Average Difference" HA 106 0.384 -0.062 0.380 18834 81 1 14 "Average Difference" C 86 1.049 -0.048 1.054 18834 82 1 14 "Average Difference" CA 95 1.172 -0.064 1.176 18834 83 1 14 "Average Difference" CB 82 1.732 -0.459 1.681 18834 84 1 14 "Average Difference" HN 86 0.462 -0.181 0.428 18834 85 1 15 "Average Difference" N 86 2.993 -0.496 2.969 18834 86 1 15 "Average Difference" HA 106 0.373 -0.005 0.374 18834 87 1 15 "Average Difference" C 86 1.087 -0.042 1.093 18834 88 1 15 "Average Difference" CA 95 1.132 -0.178 1.124 18834 89 1 15 "Average Difference" CB 82 1.817 -0.390 1.785 18834 90 1 15 "Average Difference" HN 86 0.473 -0.176 0.441 18834 91 1 16 "Average Difference" N 86 2.737 -0.589 2.689 18834 92 1 16 "Average Difference" HA 106 0.386 -0.037 0.386 18834 93 1 16 "Average Difference" C 86 1.162 -0.039 1.168 18834 94 1 16 "Average Difference" CA 95 1.092 -0.088 1.095 18834 95 1 16 "Average Difference" CB 82 1.826 -0.450 1.780 18834 96 1 16 "Average Difference" HN 86 0.452 -0.172 0.420 18834 97 1 17 "Average Difference" N 86 2.583 -0.327 2.577 18834 98 1 17 "Average Difference" HA 106 0.360 -0.036 0.360 18834 99 1 17 "Average Difference" C 86 1.080 0.028 1.086 18834 100 1 17 "Average Difference" CA 95 1.196 -0.067 1.201 18834 101 1 17 "Average Difference" CB 82 1.789 -0.405 1.753 18834 102 1 17 "Average Difference" HN 86 0.461 -0.186 0.425 18834 103 1 18 "Average Difference" N 86 2.686 -0.308 2.684 18834 104 1 18 "Average Difference" HA 106 0.379 -0.040 0.379 18834 105 1 18 "Average Difference" C 86 1.105 0.062 1.110 18834 106 1 18 "Average Difference" CA 95 1.211 -0.012 1.217 18834 107 1 18 "Average Difference" CB 82 1.752 -0.404 1.715 18834 108 1 18 "Average Difference" HN 86 0.461 -0.153 0.437 18834 109 1 19 "Average Difference" N 86 2.972 -0.509 2.945 18834 110 1 19 "Average Difference" HA 106 0.372 -0.043 0.371 18834 111 1 19 "Average Difference" C 86 1.079 -0.032 1.085 18834 112 1 19 "Average Difference" CA 95 1.170 -0.079 1.173 18834 113 1 19 "Average Difference" CB 82 1.702 -0.393 1.666 18834 114 1 19 "Average Difference" HN 86 0.479 -0.197 0.440 18834 115 1 20 "Average Difference" N 86 2.602 -0.307 2.599 18834 116 1 20 "Average Difference" HA 106 0.338 -0.022 0.339 18834 117 1 20 "Average Difference" C 86 1.052 0.008 1.058 18834 118 1 20 "Average Difference" CA 95 1.193 -0.125 1.193 18834 119 1 20 "Average Difference" CB 82 1.815 -0.378 1.786 18834 120 1 20 "Average Difference" HN 86 0.459 -0.165 0.431 18834 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 18834 _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 PRO HA H 2 4.474 4.474 4.524 -0.050 18834 2 1 . 1 1 2 2 PRO C C 2 175.857 175.857 175.898 -0.041 18834 3 1 . 1 1 2 2 PRO CA C 2 62.843 62.843 62.397 0.446 18834 4 1 . 1 1 2 2 PRO CB C 2 32.268 32.268 32.594 -0.326 18834 5 1 . 1 1 3 3 LYS N N 3 124.698 124.698 120.590 4.108 18834 6 1 . 1 1 3 3 LYS HA H 3 4.590 4.590 4.609 -0.019 18834 7 1 . 1 1 3 3 LYS CA C 3 53.618 53.618 53.956 -0.338 18834 8 1 . 1 1 3 3 LYS CB C 3 31.556 31.556 32.307 -0.751 18834 9 1 . 1 1 3 3 LYS H H 3 8.952 8.952 8.240 0.712 18834 10 1 . 1 1 4 4 PRO HA H 4 3.944 3.944 4.203 -0.260 18834 11 1 . 1 1 4 4 PRO C C 4 177.504 177.504 177.348 0.156 18834 12 1 . 1 1 4 4 PRO CA C 4 64.544 64.544 64.085 0.459 18834 13 1 . 1 1 4 4 PRO CB C 4 31.770 31.770 31.291 0.479 18834 14 1 . 1 1 5 5 GLY N N 5 113.728 113.728 113.597 0.131 18834 15 1 . 1 1 5 5 GLY C C 5 174.146 174.146 174.015 0.131 18834 16 1 . 1 1 5 5 GLY CA C 5 45.033 45.033 44.824 0.209 18834 17 1 . 1 1 5 5 GLY H H 5 9.011 9.011 8.483 0.528 18834 18 1 . 1 1 6 6 ASP N N 6 121.776 121.776 121.580 0.196 18834 19 1 . 1 1 6 6 ASP HA H 6 4.670 4.670 4.774 -0.104 18834 20 1 . 1 1 6 6 ASP C C 6 175.673 175.673 175.639 0.034 18834 21 1 . 1 1 6 6 ASP CA C 6 54.918 54.918 53.789 1.129 18834 22 1 . 1 1 6 6 ASP CB C 6 41.446 41.446 42.095 -0.649 18834 23 1 . 1 1 6 6 ASP H H 6 8.468 8.468 8.010 0.458 18834 24 1 . 1 1 7 7 ILE N N 7 121.570 121.570 123.093 -1.523 18834 25 1 . 1 1 7 7 ILE HA H 7 5.331 5.331 4.886 0.445 18834 26 1 . 1 1 7 7 ILE C C 7 176.824 176.824 175.900 0.924 18834 27 1 . 1 1 7 7 ILE CA C 7 59.601 59.601 59.970 -0.369 18834 28 1 . 1 1 7 7 ILE CB C 7 38.254 38.254 38.521 -0.267 18834 29 1 . 1 1 7 7 ILE H H 7 8.362 8.362 8.327 0.035 18834 30 1 . 1 1 8 8 PHE N N 8 125.816 125.816 124.714 1.102 18834 31 1 . 1 1 8 8 PHE HA H 8 5.072 5.072 5.058 0.014 18834 32 1 . 1 1 8 8 PHE C C 8 171.149 171.149 173.351 -2.202 18834 33 1 . 1 1 8 8 PHE CA C 8 55.529 55.529 55.342 0.187 18834 34 1 . 1 1 8 8 PHE CB C 8 41.312 41.312 41.225 0.087 18834 35 1 . 1 1 8 8 PHE H H 8 9.476 9.476 8.705 0.771 18834 36 1 . 1 1 9 9 GLU N N 9 118.961 118.961 120.364 -1.403 18834 37 1 . 1 1 9 9 GLU HA H 9 5.213 5.213 4.441 0.772 18834 38 1 . 1 1 9 9 GLU C C 9 175.995 175.995 175.770 0.225 18834 39 1 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.161 -1.172 18834 40 1 . 1 1 9 9 GLU CB C 9 33.428 33.428 31.858 1.570 18834 41 1 . 1 1 9 9 GLU H H 9 8.490 8.490 8.509 -0.019 18834 42 1 . 1 1 10 10 VAL N N 10 119.964 119.964 117.697 2.267 18834 43 1 . 1 1 10 10 VAL HA H 10 4.137 4.137 4.549 -0.412 18834 44 1 . 1 1 10 10 VAL C C 10 173.221 173.221 173.822 -0.601 18834 45 1 . 1 1 10 10 VAL CA C 10 61.091 61.091 59.825 1.266 18834 46 1 . 1 1 10 10 VAL CB C 10 36.766 36.766 35.722 1.044 18834 47 1 . 1 1 10 10 VAL H H 10 8.577 8.577 7.904 0.673 18834 48 1 . 1 1 11 11 GLU N N 11 126.219 126.219 122.402 3.817 18834 49 1 . 1 1 11 11 GLU HA H 11 4.955 4.955 5.179 -0.224 18834 50 1 . 1 1 11 11 GLU C C 11 174.538 174.538 175.344 -0.806 18834 51 1 . 1 1 11 11 GLU CA C 11 54.862 54.862 54.567 0.295 18834 52 1 . 1 1 11 11 GLU CB C 11 30.836 30.836 31.135 -0.299 18834 53 1 . 1 1 11 11 GLU H H 11 7.794 7.794 8.311 -0.517 18834 54 1 . 1 1 12 12 LEU N N 12 126.212 126.212 125.123 1.089 18834 55 1 . 1 1 12 12 LEU HA H 12 4.646 4.646 4.697 -0.051 18834 56 1 . 1 1 12 12 LEU C C 12 173.916 173.916 175.193 -1.277 18834 57 1 . 1 1 12 12 LEU CA C 12 53.137 53.137 53.889 -0.752 18834 58 1 . 1 1 12 12 LEU CB C 12 46.126 46.126 46.660 -0.534 18834 59 1 . 1 1 12 12 LEU H H 12 8.848 8.848 8.758 0.090 18834 60 1 . 1 1 13 13 ALA N N 13 126.357 126.357 125.330 1.027 18834 61 1 . 1 1 13 13 ALA HA H 13 5.095 5.095 4.473 0.622 18834 62 1 . 1 1 13 13 ALA C C 13 177.352 177.352 177.054 0.298 18834 63 1 . 1 1 13 13 ALA CA C 13 49.920 49.920 51.573 -1.654 18834 64 1 . 1 1 13 13 ALA CB C 13 19.377 19.377 19.749 -0.372 18834 65 1 . 1 1 13 13 ALA H H 13 8.494 8.494 8.547 -0.053 18834 66 1 . 1 1 14 14 LYS N N 14 120.000 120.000 121.685 -1.685 18834 67 1 . 1 1 14 14 LYS HA H 14 3.752 3.752 4.092 -0.340 18834 68 1 . 1 1 14 14 LYS C C 14 176.313 176.313 176.213 0.100 18834 69 1 . 1 1 14 14 LYS CA C 14 57.762 57.762 57.473 0.289 18834 70 1 . 1 1 14 14 LYS CB C 14 34.469 34.469 33.095 1.374 18834 71 1 . 1 1 14 14 LYS H H 14 8.496 8.496 8.165 0.331 18834 72 1 . 1 1 15 15 ASN N N 15 117.473 117.473 116.388 1.085 18834 73 1 . 1 1 15 15 ASN HA H 15 4.917 4.917 4.451 0.466 18834 74 1 . 1 1 15 15 ASN CA C 15 52.487 52.487 53.448 -0.961 18834 75 1 . 1 1 15 15 ASN CB C 15 40.684 40.684 38.555 2.129 18834 76 1 . 1 1 15 15 ASN H H 15 8.079 8.079 8.219 -0.140 18834 77 1 . 1 1 16 16 ASP HA H 16 4.259 4.259 4.276 -0.017 18834 78 1 . 1 1 16 16 ASP C C 16 175.515 175.515 175.844 -0.329 18834 79 1 . 1 1 16 16 ASP CA C 16 55.520 55.520 55.248 0.272 18834 80 1 . 1 1 16 16 ASP CB C 16 39.303 39.303 39.895 -0.592 18834 81 1 . 1 1 17 17 ASN N N 17 110.160 110.160 111.864 -1.704 18834 82 1 . 1 1 17 17 ASN HA H 17 4.232 4.232 4.253 -0.021 18834 83 1 . 1 1 17 17 ASN C C 17 174.550 174.550 174.223 0.327 18834 84 1 . 1 1 17 17 ASN CA C 17 54.349 54.349 54.966 -0.618 18834 85 1 . 1 1 17 17 ASN CB C 17 38.455 38.455 38.217 0.238 18834 86 1 . 1 1 17 17 ASN H H 17 8.959 8.959 8.750 0.209 18834 87 1 . 1 1 18 18 SER N N 18 112.013 112.013 115.005 -2.992 18834 88 1 . 1 1 18 18 SER HA H 18 4.976 4.976 4.618 0.358 18834 89 1 . 1 1 18 18 SER CA C 18 56.519 56.519 58.051 -1.532 18834 90 1 . 1 1 18 18 SER CB C 18 65.053 65.053 64.222 0.831 18834 91 1 . 1 1 18 18 SER H H 18 7.892 7.892 7.508 0.384 18834 92 1 . 1 1 19 19 LEU HA H 19 4.256 4.256 4.728 -0.472 18834 93 1 . 1 1 19 19 LEU C C 19 176.996 176.996 176.509 0.487 18834 94 1 . 1 1 19 19 LEU CA C 19 55.945 55.945 54.518 1.427 18834 95 1 . 1 1 19 19 LEU CB C 19 43.178 43.178 43.566 -0.388 18834 96 1 . 1 1 20 20 GLY N N 20 105.651 105.651 107.796 -2.145 18834 97 1 . 1 1 20 20 GLY C C 20 176.218 176.218 173.435 2.783 18834 98 1 . 1 1 20 20 GLY CA C 20 46.868 46.868 44.996 1.872 18834 99 1 . 1 1 20 20 GLY H H 20 8.804 8.804 8.298 0.506 18834 100 1 . 1 1 21 21 ILE N N 21 115.348 115.348 119.947 -4.599 18834 101 1 . 1 1 21 21 ILE HA H 21 4.842 4.842 4.566 0.276 18834 102 1 . 1 1 21 21 ILE C C 21 175.987 175.987 175.620 0.367 18834 103 1 . 1 1 21 21 ILE CA C 21 59.795 59.795 59.087 0.708 18834 104 1 . 1 1 21 21 ILE CB C 21 42.334 42.334 39.200 3.133 18834 105 1 . 1 1 21 21 ILE H H 21 7.775 7.775 7.701 0.074 18834 106 1 . 1 1 22 22 CYS N N 22 123.503 123.503 120.133 3.370 18834 107 1 . 1 1 22 22 CYS C C 22 176.187 176.187 173.640 2.547 18834 108 1 . 1 1 22 22 CYS CA C 22 53.779 53.779 58.086 -4.307 18834 109 1 . 1 1 22 22 CYS CB C 22 36.527 36.527 30.202 6.325 18834 110 1 . 1 1 22 22 CYS H H 22 8.533 8.533 8.385 0.148 18834 111 1 . 1 1 23 23 VAL N N 23 114.882 114.882 116.061 -1.179 18834 112 1 . 1 1 23 23 VAL HA H 23 5.448 5.448 5.268 0.180 18834 113 1 . 1 1 23 23 VAL C C 23 174.219 174.219 174.130 0.089 18834 114 1 . 1 1 23 23 VAL CA C 23 59.422 59.422 60.251 -0.829 18834 115 1 . 1 1 23 23 VAL CB C 23 35.094 35.094 35.442 -0.348 18834 116 1 . 1 1 23 23 VAL H H 23 7.720 7.720 8.326 -0.606 18834 117 1 . 1 1 24 24 THR N N 24 115.462 115.462 113.907 1.555 18834 118 1 . 1 1 24 24 THR HA H 24 4.691 4.691 4.499 0.192 18834 119 1 . 1 1 24 24 THR C C 24 171.649 171.649 173.191 -1.542 18834 120 1 . 1 1 24 24 THR CA C 24 59.560 59.560 60.339 -0.779 18834 121 1 . 1 1 24 24 THR CB C 24 70.573 70.573 70.035 0.538 18834 122 1 . 1 1 24 24 THR H H 24 9.175 9.175 8.285 0.890 18834 123 1 . 1 1 25 25 GLY N N 25 111.734 111.734 110.644 1.090 18834 124 1 . 1 1 25 25 GLY C C 25 174.216 174.216 173.800 0.416 18834 125 1 . 1 1 25 25 GLY CA C 25 44.664 44.664 44.869 -0.205 18834 126 1 . 1 1 25 25 GLY H H 25 8.323 8.323 8.435 -0.112 18834 127 1 . 1 1 26 26 GLY N N 26 107.524 107.524 108.719 -1.195 18834 128 1 . 1 1 26 26 GLY C C 26 176.306 176.306 174.980 1.326 18834 129 1 . 1 1 26 26 GLY CA C 26 43.770 43.770 45.559 -1.789 18834 130 1 . 1 1 26 26 GLY H H 26 7.541 7.541 7.952 -0.411 18834 131 1 . 1 1 27 27 VAL N N 27 116.903 116.903 123.245 -6.342 18834 132 1 . 1 1 27 27 VAL HA H 27 4.128 4.128 4.022 0.106 18834 133 1 . 1 1 27 27 VAL C C 27 175.716 175.716 176.509 -0.793 18834 134 1 . 1 1 27 27 VAL CA C 27 63.894 63.894 62.859 1.035 18834 135 1 . 1 1 27 27 VAL CB C 27 31.963 31.963 30.884 1.079 18834 136 1 . 1 1 27 27 VAL H H 27 8.055 8.055 8.113 -0.058 18834 137 1 . 1 1 28 28 ASN N N 28 117.840 117.840 112.835 5.005 18834 138 1 . 1 1 28 28 ASN HA H 28 4.803 4.803 4.461 0.341 18834 139 1 . 1 1 28 28 ASN C C 28 174.846 174.846 175.019 -0.173 18834 140 1 . 1 1 28 28 ASN CA C 28 53.480 53.480 54.127 -0.647 18834 141 1 . 1 1 28 28 ASN CB C 28 37.754 37.754 37.171 0.583 18834 142 1 . 1 1 28 28 ASN H H 28 8.779 8.779 8.326 0.453 18834 143 1 . 1 1 29 29 THR N N 29 111.408 111.408 111.162 0.246 18834 144 1 . 1 1 29 29 THR HA H 29 4.690 4.690 4.225 0.465 18834 145 1 . 1 1 29 29 THR CA C 29 61.624 61.624 61.981 -0.357 18834 146 1 . 1 1 29 29 THR CB C 29 70.939 70.939 69.315 1.624 18834 147 1 . 1 1 29 29 THR H H 29 7.857 7.857 7.649 0.208 18834 148 1 . 1 1 30 30 SER N N 30 113.816 113.816 114.740 -0.924 18834 149 1 . 1 1 30 30 SER HA H 30 4.537 4.537 4.115 0.422 18834 150 1 . 1 1 30 30 SER C C 30 174.867 174.867 174.832 0.035 18834 151 1 . 1 1 30 30 SER CA C 30 58.369 58.369 60.145 -1.776 18834 152 1 . 1 1 30 30 SER CB C 30 63.547 63.547 62.771 0.776 18834 153 1 . 1 1 30 30 SER H H 30 8.438 8.438 8.493 -0.055 18834 154 1 . 1 1 31 31 VAL N N 31 118.013 118.013 116.609 1.404 18834 155 1 . 1 1 31 31 VAL HA H 31 4.098 4.098 3.805 0.293 18834 156 1 . 1 1 31 31 VAL C C 31 176.528 176.528 176.421 0.107 18834 157 1 . 1 1 31 31 VAL CA C 31 62.070 62.070 62.040 0.030 18834 158 1 . 1 1 31 31 VAL CB C 31 32.507 32.507 32.260 0.247 18834 159 1 . 1 1 31 31 VAL H H 31 7.567 7.567 7.407 0.160 18834 160 1 . 1 1 32 32 ARG N N 32 124.719 124.719 126.534 -1.815 18834 161 1 . 1 1 32 32 ARG HA H 32 4.007 4.007 4.015 -0.008 18834 162 1 . 1 1 32 32 ARG CA C 32 58.009 58.009 58.672 -0.663 18834 163 1 . 1 1 32 32 ARG CB C 32 29.571 29.571 29.978 -0.407 18834 164 1 . 1 1 32 32 ARG H H 32 8.501 8.501 8.573 -0.072 18834 165 1 . 1 1 33 33 HIS HA H 33 4.577 4.577 4.540 0.037 18834 166 1 . 1 1 33 33 HIS C C 33 175.064 175.064 175.565 -0.501 18834 167 1 . 1 1 33 33 HIS CA C 33 56.814 56.814 56.306 0.508 18834 168 1 . 1 1 33 33 HIS CB C 33 29.091 29.091 30.362 -1.271 18834 169 1 . 1 1 34 34 GLY N N 34 109.357 109.357 107.217 2.140 18834 170 1 . 1 1 34 34 GLY C C 34 174.616 174.616 173.645 0.971 18834 171 1 . 1 1 34 34 GLY CA C 34 46.594 46.594 45.400 1.194 18834 172 1 . 1 1 34 34 GLY H H 34 8.469 8.469 7.870 0.599 18834 173 1 . 1 1 35 35 GLY N N 35 104.989 104.989 106.671 -1.682 18834 174 1 . 1 1 35 35 GLY C C 35 170.518 170.518 173.322 -2.804 18834 175 1 . 1 1 35 35 GLY CA C 35 44.641 44.641 43.619 1.022 18834 176 1 . 1 1 35 35 GLY H H 35 7.787 7.787 7.744 0.043 18834 177 1 . 1 1 36 36 ILE N N 36 119.808 119.808 120.846 -1.038 18834 178 1 . 1 1 36 36 ILE HA H 36 4.746 4.746 4.792 -0.046 18834 179 1 . 1 1 36 36 ILE C C 36 174.616 174.616 175.161 -0.545 18834 180 1 . 1 1 36 36 ILE CA C 36 56.955 56.955 60.155 -3.200 18834 181 1 . 1 1 36 36 ILE CB C 36 35.618 35.618 38.323 -2.705 18834 182 1 . 1 1 36 36 ILE H H 36 8.362 8.362 7.986 0.376 18834 183 1 . 1 1 37 37 TYR N N 37 123.168 123.168 127.083 -3.915 18834 184 1 . 1 1 37 37 TYR HA H 37 5.268 5.268 4.937 0.331 18834 185 1 . 1 1 37 37 TYR C C 37 176.069 176.069 175.856 0.213 18834 186 1 . 1 1 37 37 TYR CA C 37 55.959 55.959 55.935 0.024 18834 187 1 . 1 1 37 37 TYR CB C 37 42.436 42.436 41.000 1.436 18834 188 1 . 1 1 37 37 TYR H H 37 8.904 8.904 9.107 -0.203 18834 189 1 . 1 1 38 38 VAL N N 38 120.273 120.273 122.035 -1.762 18834 190 1 . 1 1 38 38 VAL HA H 38 3.799 3.799 4.195 -0.396 18834 191 1 . 1 1 38 38 VAL C C 38 175.886 175.886 176.509 -0.623 18834 192 1 . 1 1 38 38 VAL CA C 38 64.084 64.084 62.662 1.422 18834 193 1 . 1 1 38 38 VAL CB C 38 31.444 31.444 30.810 0.634 18834 194 1 . 1 1 38 38 VAL H H 38 9.230 9.230 9.012 0.218 18834 195 1 . 1 1 39 39 LYS N N 39 133.619 133.619 129.550 4.069 18834 196 1 . 1 1 39 39 LYS HA H 39 4.389 4.389 4.169 0.220 18834 197 1 . 1 1 39 39 LYS C C 39 174.763 174.763 175.617 -0.854 18834 198 1 . 1 1 39 39 LYS CA C 39 56.536 56.536 57.748 -1.212 18834 199 1 . 1 1 39 39 LYS CB C 39 34.539 34.539 33.060 1.479 18834 200 1 . 1 1 39 39 LYS H H 39 9.584 9.584 8.291 1.293 18834 201 1 . 1 1 40 40 ALA N N 40 117.459 117.459 118.311 -0.853 18834 202 1 . 1 1 40 40 ALA HA H 40 4.504 4.504 4.540 -0.036 18834 203 1 . 1 1 40 40 ALA C C 40 174.686 174.686 174.644 0.042 18834 204 1 . 1 1 40 40 ALA CA C 40 51.897 51.897 51.863 0.033 18834 205 1 . 1 1 40 40 ALA CB C 40 22.245 22.245 21.428 0.817 18834 206 1 . 1 1 40 40 ALA H H 40 7.584 7.584 7.284 0.300 18834 207 1 . 1 1 41 41 VAL N N 41 120.599 120.599 120.922 -0.323 18834 208 1 . 1 1 41 41 VAL HA H 41 4.379 4.379 4.388 -0.009 18834 209 1 . 1 1 41 41 VAL C C 41 175.714 175.714 175.602 0.112 18834 210 1 . 1 1 41 41 VAL CA C 41 61.149 61.149 61.134 0.015 18834 211 1 . 1 1 41 41 VAL CB C 41 32.506 32.506 34.414 -1.908 18834 212 1 . 1 1 41 41 VAL H H 41 8.747 8.747 8.379 0.368 18834 213 1 . 1 1 42 42 ILE N N 42 127.775 127.775 123.990 3.785 18834 214 1 . 1 1 42 42 ILE HA H 42 4.127 4.127 4.574 -0.447 18834 215 1 . 1 1 42 42 ILE CA C 42 58.826 58.826 57.444 1.382 18834 216 1 . 1 1 42 42 ILE CB C 42 38.216 38.216 37.218 0.998 18834 217 1 . 1 1 42 42 ILE H H 42 7.827 7.827 8.370 -0.543 18834 218 1 . 1 1 43 43 PRO HA H 43 4.475 4.475 4.524 -0.049 18834 219 1 . 1 1 43 43 PRO C C 43 177.234 177.234 176.613 0.621 18834 220 1 . 1 1 43 43 PRO CA C 43 64.177 64.177 62.623 1.554 18834 221 1 . 1 1 43 43 PRO CB C 43 31.801 31.801 32.683 -0.882 18834 222 1 . 1 1 44 44 GLN N N 44 116.932 116.932 114.421 2.511 18834 223 1 . 1 1 44 44 GLN HA H 44 3.848 3.848 3.977 -0.129 18834 224 1 . 1 1 44 44 GLN C C 44 175.628 175.628 175.321 0.307 18834 225 1 . 1 1 44 44 GLN CA C 44 58.141 58.141 57.118 1.023 18834 226 1 . 1 1 44 44 GLN CB C 44 26.441 26.441 27.551 -1.110 18834 227 1 . 1 1 44 44 GLN H H 44 9.388 9.388 8.782 0.606 18834 228 1 . 1 1 45 45 GLY N N 45 106.131 106.131 104.292 1.839 18834 229 1 . 1 1 45 45 GLY C C 45 174.404 174.404 173.526 0.879 18834 230 1 . 1 1 45 45 GLY CA C 45 44.658 44.658 44.012 0.646 18834 231 1 . 1 1 45 45 GLY H H 45 7.875 7.875 7.396 0.479 18834 232 1 . 1 1 46 46 ALA N N 46 121.011 121.011 123.218 -2.207 18834 233 1 . 1 1 46 46 ALA HA H 46 4.051 4.051 4.037 0.014 18834 234 1 . 1 1 46 46 ALA C C 46 180.673 180.673 178.966 1.707 18834 235 1 . 1 1 46 46 ALA CA C 46 55.045 55.045 55.422 -0.378 18834 236 1 . 1 1 46 46 ALA CB C 46 18.508 18.508 18.570 -0.062 18834 237 1 . 1 1 46 46 ALA H H 46 9.017 9.017 8.916 0.101 18834 238 1 . 1 1 47 47 ALA N N 47 118.848 118.848 121.484 -2.636 18834 239 1 . 1 1 47 47 ALA HA H 47 4.068 4.068 3.905 0.163 18834 240 1 . 1 1 47 47 ALA C C 47 180.699 180.699 179.720 0.979 18834 241 1 . 1 1 47 47 ALA CA C 47 54.917 54.917 55.191 -0.274 18834 242 1 . 1 1 47 47 ALA CB C 47 18.630 18.630 17.932 0.698 18834 243 1 . 1 1 47 47 ALA H H 47 7.754 7.754 8.256 -0.502 18834 244 1 . 1 1 48 48 GLU N N 48 124.400 124.400 119.245 5.155 18834 245 1 . 1 1 48 48 GLU HA H 48 3.823 3.823 4.026 -0.203 18834 246 1 . 1 1 48 48 GLU C C 48 178.174 178.174 178.846 -0.672 18834 247 1 . 1 1 48 48 GLU CA C 48 59.909 59.909 58.659 1.250 18834 248 1 . 1 1 48 48 GLU CB C 48 29.759 29.759 29.262 0.497 18834 249 1 . 1 1 48 48 GLU H H 48 9.317 9.317 8.528 0.789 18834 250 1 . 1 1 49 49 SER N N 49 113.388 113.388 114.003 -0.615 18834 251 1 . 1 1 49 49 SER HA H 49 4.100 4.100 4.213 -0.113 18834 252 1 . 1 1 49 49 SER C C 49 175.693 175.693 176.563 -0.870 18834 253 1 . 1 1 49 49 SER CA C 49 61.233 61.233 60.856 0.377 18834 254 1 . 1 1 49 49 SER CB C 49 62.780 62.780 63.245 -0.466 18834 255 1 . 1 1 49 49 SER H H 49 8.115 8.115 8.247 -0.132 18834 256 1 . 1 1 50 50 ASP N N 50 120.047 120.047 119.578 0.469 18834 257 1 . 1 1 50 50 ASP HA H 50 4.378 4.378 4.592 -0.214 18834 258 1 . 1 1 50 50 ASP C C 50 177.650 177.650 177.155 0.495 18834 259 1 . 1 1 50 50 ASP CA C 50 57.214 57.214 54.586 2.628 18834 260 1 . 1 1 50 50 ASP CB C 50 44.241 44.241 41.852 2.389 18834 261 1 . 1 1 50 50 ASP H H 50 7.609 7.609 8.159 -0.550 18834 262 1 . 1 1 51 51 GLY N N 51 102.979 102.979 107.694 -4.715 18834 263 1 . 1 1 51 51 GLY C C 51 174.977 174.977 174.936 0.041 18834 264 1 . 1 1 51 51 GLY CA C 51 46.352 46.352 45.612 0.740 18834 265 1 . 1 1 51 51 GLY H H 51 7.372 7.372 7.958 -0.586 18834 266 1 . 1 1 52 52 ARG N N 52 117.579 117.579 118.276 -0.697 18834 267 1 . 1 1 52 52 ARG HA H 52 4.314 4.314 4.454 -0.140 18834 268 1 . 1 1 52 52 ARG C C 52 175.886 175.886 175.525 0.361 18834 269 1 . 1 1 52 52 ARG CA C 52 57.894 57.894 55.748 2.146 18834 270 1 . 1 1 52 52 ARG CB C 52 33.246 33.246 30.833 2.413 18834 271 1 . 1 1 52 52 ARG H H 52 7.966 7.966 7.853 0.113 18834 272 1 . 1 1 53 53 ILE N N 53 120.155 120.155 118.089 2.066 18834 273 1 . 1 1 53 53 ILE HA H 53 4.236 4.236 4.245 -0.009 18834 274 1 . 1 1 53 53 ILE C C 53 173.773 173.773 173.649 0.124 18834 275 1 . 1 1 53 53 ILE CA C 53 61.405 61.405 60.310 1.095 18834 276 1 . 1 1 53 53 ILE CB C 53 39.641 39.641 41.670 -2.029 18834 277 1 . 1 1 53 53 ILE H H 53 8.225 8.225 7.421 0.804 18834 278 1 . 1 1 54 54 HIS N N 54 123.751 123.751 121.443 2.308 18834 279 1 . 1 1 54 54 HIS HA H 54 4.790 4.790 4.910 -0.120 18834 280 1 . 1 1 54 54 HIS C C 54 173.696 173.696 174.281 -0.585 18834 281 1 . 1 1 54 54 HIS CA C 54 54.844 54.844 54.277 0.567 18834 282 1 . 1 1 54 54 HIS CB C 54 33.566 33.566 33.079 0.487 18834 283 1 . 1 1 54 54 HIS H H 54 9.061 9.061 8.244 0.817 18834 284 1 . 1 1 55 55 LYS N N 55 120.590 120.590 120.675 -0.085 18834 285 1 . 1 1 55 55 LYS HA H 55 3.626 3.626 4.205 -0.578 18834 286 1 . 1 1 55 55 LYS C C 55 176.916 176.916 177.373 -0.457 18834 287 1 . 1 1 55 55 LYS CA C 55 58.304 58.304 57.589 0.715 18834 288 1 . 1 1 55 55 LYS CB C 55 32.421 32.421 32.655 -0.234 18834 289 1 . 1 1 55 55 LYS H H 55 8.670 8.670 8.540 0.130 18834 290 1 . 1 1 56 56 GLY N N 56 114.645 114.645 112.479 2.166 18834 291 1 . 1 1 56 56 GLY C C 56 174.438 174.438 174.689 -0.251 18834 292 1 . 1 1 56 56 GLY CA C 56 44.762 44.762 44.950 -0.188 18834 293 1 . 1 1 56 56 GLY H H 56 9.201 9.201 8.922 0.279 18834 294 1 . 1 1 57 57 ASP N N 57 121.982 121.982 124.092 -2.110 18834 295 1 . 1 1 57 57 ASP HA H 57 4.887 4.887 4.745 0.142 18834 296 1 . 1 1 57 57 ASP C C 57 174.623 174.623 174.886 -0.263 18834 297 1 . 1 1 57 57 ASP CA C 57 55.836 55.836 55.427 0.409 18834 298 1 . 1 1 57 57 ASP CB C 57 41.083 41.083 41.394 -0.311 18834 299 1 . 1 1 57 57 ASP H H 57 8.058 8.058 7.557 0.501 18834 300 1 . 1 1 58 58 ARG N N 58 123.240 123.240 119.076 4.164 18834 301 1 . 1 1 58 58 ARG HA H 58 4.615 4.615 4.839 -0.224 18834 302 1 . 1 1 58 58 ARG C C 58 175.573 175.573 174.926 0.647 18834 303 1 . 1 1 58 58 ARG CA C 58 54.521 54.521 54.257 0.264 18834 304 1 . 1 1 58 58 ARG CB C 58 33.701 33.701 33.153 0.548 18834 305 1 . 1 1 58 58 ARG H H 58 9.078 9.078 8.543 0.535 18834 306 1 . 1 1 59 59 VAL N N 59 126.202 126.202 122.433 3.769 18834 307 1 . 1 1 59 59 VAL HA H 59 3.863 3.863 4.290 -0.427 18834 308 1 . 1 1 59 59 VAL C C 59 174.458 174.458 175.462 -1.004 18834 309 1 . 1 1 59 59 VAL CA C 59 62.203 62.203 62.559 -0.356 18834 310 1 . 1 1 59 59 VAL CB C 59 30.998 30.998 31.996 -0.997 18834 311 1 . 1 1 59 59 VAL H H 59 8.897 8.897 8.700 0.197 18834 312 1 . 1 1 60 60 LEU N N 60 127.163 127.163 127.761 -0.598 18834 313 1 . 1 1 60 60 LEU HA H 60 4.296 4.296 4.389 -0.093 18834 314 1 . 1 1 60 60 LEU C C 60 178.289 178.289 176.281 2.008 18834 315 1 . 1 1 60 60 LEU CA C 60 56.054 56.054 56.196 -0.141 18834 316 1 . 1 1 60 60 LEU CB C 60 42.612 42.612 42.945 -0.333 18834 317 1 . 1 1 60 60 LEU H H 60 9.213 9.213 8.579 0.634 18834 318 1 . 1 1 61 61 ALA N N 61 118.886 118.886 117.512 1.374 18834 319 1 . 1 1 61 61 ALA HA H 61 4.954 4.954 5.113 -0.159 18834 320 1 . 1 1 61 61 ALA C C 61 175.288 175.288 175.283 0.005 18834 321 1 . 1 1 61 61 ALA CA C 61 52.279 52.279 50.495 1.784 18834 322 1 . 1 1 61 61 ALA CB C 61 22.096 22.096 22.353 -0.257 18834 323 1 . 1 1 61 61 ALA H H 61 7.741 7.741 7.325 0.416 18834 324 1 . 1 1 62 62 VAL N N 62 119.929 119.929 120.247 -0.318 18834 325 1 . 1 1 62 62 VAL HA H 62 4.450 4.450 4.319 0.131 18834 326 1 . 1 1 62 62 VAL C C 62 175.323 175.323 176.128 -0.805 18834 327 1 . 1 1 62 62 VAL CA C 62 60.418 60.418 60.826 -0.408 18834 328 1 . 1 1 62 62 VAL CB C 62 34.050 34.050 33.798 0.252 18834 329 1 . 1 1 62 62 VAL H H 62 8.256 8.256 8.420 -0.164 18834 330 1 . 1 1 63 63 ASN N N 63 128.933 128.933 127.187 1.746 18834 331 1 . 1 1 63 63 ASN HA H 63 4.545 4.545 4.421 0.124 18834 332 1 . 1 1 63 63 ASN C C 63 175.197 175.197 175.271 -0.074 18834 333 1 . 1 1 63 63 ASN CA C 63 54.168 54.168 54.382 -0.214 18834 334 1 . 1 1 63 63 ASN CB C 63 36.896 36.896 37.987 -1.091 18834 335 1 . 1 1 63 63 ASN H H 63 10.392 10.392 9.302 1.090 18834 336 1 . 1 1 64 64 GLY N N 64 103.413 103.413 102.555 0.858 18834 337 1 . 1 1 64 64 GLY C C 64 173.872 173.872 174.362 -0.490 18834 338 1 . 1 1 64 64 GLY CA C 64 45.171 45.171 45.038 0.133 18834 339 1 . 1 1 64 64 GLY H H 64 9.085 9.085 8.440 0.645 18834 340 1 . 1 1 65 65 VAL N N 65 123.643 123.643 124.083 -0.440 18834 341 1 . 1 1 65 65 VAL HA H 65 3.948 3.948 4.064 -0.116 18834 342 1 . 1 1 65 65 VAL C C 65 175.645 175.645 175.648 -0.003 18834 343 1 . 1 1 65 65 VAL CA C 65 62.136 62.136 61.901 0.235 18834 344 1 . 1 1 65 65 VAL CB C 65 31.640 31.640 31.939 -0.299 18834 345 1 . 1 1 65 65 VAL H H 65 8.028 8.028 7.858 0.170 18834 346 1 . 1 1 66 66 SER N N 66 120.923 120.923 124.135 -3.212 18834 347 1 . 1 1 66 66 SER HA H 66 4.334 4.334 4.198 0.136 18834 348 1 . 1 1 66 66 SER C C 66 176.388 176.388 173.959 2.429 18834 349 1 . 1 1 66 66 SER CA C 66 58.342 58.342 59.759 -1.417 18834 350 1 . 1 1 66 66 SER CB C 66 63.562 63.562 63.310 0.252 18834 351 1 . 1 1 66 66 SER H H 66 8.647 8.647 8.725 -0.078 18834 352 1 . 1 1 67 67 LEU N N 67 125.116 125.116 126.520 -1.404 18834 353 1 . 1 1 67 67 LEU HA H 67 4.438 4.438 4.632 -0.194 18834 354 1 . 1 1 67 67 LEU C C 67 176.462 176.462 176.228 0.234 18834 355 1 . 1 1 67 67 LEU CA C 67 53.732 53.732 54.204 -0.472 18834 356 1 . 1 1 67 67 LEU CB C 67 40.890 40.890 42.906 -2.016 18834 357 1 . 1 1 67 67 LEU H H 67 8.292 8.292 8.825 -0.533 18834 358 1 . 1 1 68 68 GLU N N 68 123.552 123.552 119.654 3.898 18834 359 1 . 1 1 68 68 GLU HA H 68 4.035 4.035 4.078 -0.043 18834 360 1 . 1 1 68 68 GLU C C 68 177.767 177.767 177.087 0.679 18834 361 1 . 1 1 68 68 GLU CA C 68 58.571 58.571 57.870 0.701 18834 362 1 . 1 1 68 68 GLU CB C 68 29.052 29.052 29.172 -0.120 18834 363 1 . 1 1 68 68 GLU H H 68 8.305 8.305 7.673 0.632 18834 364 1 . 1 1 69 69 GLY N N 69 115.496 115.496 112.963 2.534 18834 365 1 . 1 1 69 69 GLY C C 69 173.618 173.618 174.252 -0.634 18834 366 1 . 1 1 69 69 GLY CA C 69 45.396 45.396 44.906 0.490 18834 367 1 . 1 1 69 69 GLY H H 69 8.977 8.977 8.648 0.329 18834 368 1 . 1 1 70 70 ALA N N 70 121.999 121.999 124.295 -2.296 18834 369 1 . 1 1 70 70 ALA HA H 70 4.502 4.502 4.629 -0.127 18834 370 1 . 1 1 70 70 ALA C C 70 179.820 179.820 176.479 3.341 18834 371 1 . 1 1 70 70 ALA CA C 70 52.415 52.415 51.443 0.972 18834 372 1 . 1 1 70 70 ALA CB C 70 19.638 19.638 20.050 -0.412 18834 373 1 . 1 1 70 70 ALA H H 70 7.807 7.807 7.999 -0.192 18834 374 1 . 1 1 71 71 THR N N 71 111.294 111.294 113.113 -1.819 18834 375 1 . 1 1 71 71 THR HA H 71 4.515 4.515 4.394 0.121 18834 376 1 . 1 1 71 71 THR C C 71 174.717 174.717 176.072 -1.355 18834 377 1 . 1 1 71 71 THR CA C 71 60.692 60.692 60.449 0.243 18834 378 1 . 1 1 71 71 THR CB C 71 71.274 71.274 70.651 0.623 18834 379 1 . 1 1 71 71 THR H H 71 8.222 8.222 8.090 0.132 18834 380 1 . 1 1 72 72 HIS N N 72 121.871 121.871 119.631 2.240 18834 381 1 . 1 1 72 72 HIS HA H 72 3.860 3.860 4.239 -0.379 18834 382 1 . 1 1 72 72 HIS C C 72 176.702 176.702 177.411 -0.709 18834 383 1 . 1 1 72 72 HIS CA C 72 61.983 61.983 60.183 1.800 18834 384 1 . 1 1 72 72 HIS CB C 72 30.047 30.047 29.228 0.819 18834 385 1 . 1 1 72 72 HIS H H 72 9.217 9.217 8.862 0.355 18834 386 1 . 1 1 73 73 LYS N N 73 116.941 116.941 119.426 -2.485 18834 387 1 . 1 1 73 73 LYS HA H 73 3.824 3.824 3.910 -0.086 18834 388 1 . 1 1 73 73 LYS C C 73 178.288 178.288 179.120 -0.832 18834 389 1 . 1 1 73 73 LYS CA C 73 59.350 59.350 59.581 -0.231 18834 390 1 . 1 1 73 73 LYS CB C 73 32.811 32.811 31.889 0.922 18834 391 1 . 1 1 73 73 LYS H H 73 8.429 8.429 7.964 0.465 18834 392 1 . 1 1 74 74 GLN N N 74 116.915 116.915 118.210 -1.295 18834 393 1 . 1 1 74 74 GLN HA H 74 3.869 3.869 3.977 -0.108 18834 394 1 . 1 1 74 74 GLN C C 74 179.732 179.732 178.579 1.153 18834 395 1 . 1 1 74 74 GLN CA C 74 58.599 58.599 58.676 -0.077 18834 396 1 . 1 1 74 74 GLN CB C 74 28.351 28.351 28.281 0.070 18834 397 1 . 1 1 74 74 GLN H H 74 7.660 7.660 7.722 -0.062 18834 398 1 . 1 1 75 75 ALA N N 75 122.673 122.673 122.669 0.004 18834 399 1 . 1 1 75 75 ALA HA H 75 3.788 3.788 3.966 -0.178 18834 400 1 . 1 1 75 75 ALA C C 75 179.078 179.078 179.595 -0.517 18834 401 1 . 1 1 75 75 ALA CA C 75 55.566 55.566 55.397 0.169 18834 402 1 . 1 1 75 75 ALA CB C 75 18.851 18.851 18.316 0.535 18834 403 1 . 1 1 75 75 ALA H H 75 8.379 8.379 8.335 0.044 18834 404 1 . 1 1 76 76 VAL N N 76 112.831 112.831 116.401 -3.570 18834 405 1 . 1 1 76 76 VAL HA H 76 3.505 3.505 3.772 -0.267 18834 406 1 . 1 1 76 76 VAL CA C 76 65.895 65.895 65.883 0.012 18834 407 1 . 1 1 76 76 VAL CB C 76 30.691 30.691 31.176 -0.485 18834 408 1 . 1 1 76 76 VAL H H 76 8.239 8.239 7.802 0.437 18834 409 1 . 1 1 77 77 CYS C C 77 177.150 177.150 177.247 -0.097 18834 410 1 . 1 1 77 77 CYS CA C 77 60.391 60.391 63.289 -2.898 18834 411 1 . 1 1 77 77 CYS CB C 77 35.782 35.782 25.424 10.358 18834 412 1 . 1 1 78 78 THR N N 78 117.507 117.507 116.717 0.790 18834 413 1 . 1 1 78 78 THR HA H 78 3.858 3.858 4.031 -0.173 18834 414 1 . 1 1 78 78 THR C C 78 176.460 176.460 175.832 0.628 18834 415 1 . 1 1 78 78 THR CA C 78 67.123 67.123 66.368 0.755 18834 416 1 . 1 1 78 78 THR CB C 78 68.123 68.123 68.781 -0.658 18834 417 1 . 1 1 78 78 THR H H 78 8.015 8.015 8.132 -0.117 18834 418 1 . 1 1 79 79 LEU N N 79 119.666 119.666 120.428 -0.762 18834 419 1 . 1 1 79 79 LEU HA H 79 3.750 3.750 4.015 -0.265 18834 420 1 . 1 1 79 79 LEU CA C 79 58.190 58.190 57.609 0.580 18834 421 1 . 1 1 79 79 LEU CB C 79 42.072 42.072 41.883 0.189 18834 422 1 . 1 1 79 79 LEU H H 79 7.984 7.984 7.696 0.288 18834 423 1 . 1 1 80 80 ARG HA H 80 4.197 4.197 4.085 0.112 18834 424 1 . 1 1 80 80 ARG C C 80 177.750 177.750 178.505 -0.755 18834 425 1 . 1 1 80 80 ARG CA C 80 58.307 58.307 58.532 -0.225 18834 426 1 . 1 1 80 80 ARG CB C 80 30.092 30.092 30.284 -0.192 18834 427 1 . 1 1 81 81 ASN N N 81 119.843 119.843 118.922 0.921 18834 428 1 . 1 1 81 81 ASN HA H 81 4.984 4.984 4.648 0.336 18834 429 1 . 1 1 81 81 ASN C C 81 174.819 174.819 174.940 -0.121 18834 430 1 . 1 1 81 81 ASN CA C 81 53.113 53.113 53.516 -0.403 18834 431 1 . 1 1 81 81 ASN CB C 81 37.668 37.668 37.312 0.356 18834 432 1 . 1 1 81 81 ASN H H 81 7.648 7.648 8.040 -0.392 18834 433 1 . 1 1 82 82 THR N N 82 109.907 109.907 112.042 -2.135 18834 434 1 . 1 1 82 82 THR HA H 82 4.447 4.447 4.671 -0.224 18834 435 1 . 1 1 82 82 THR C C 82 175.114 175.114 174.427 0.687 18834 436 1 . 1 1 82 82 THR CA C 82 59.944 59.944 60.534 -0.589 18834 437 1 . 1 1 82 82 THR CB C 82 72.611 72.611 71.513 1.098 18834 438 1 . 1 1 82 82 THR H H 82 7.668 7.668 7.763 -0.095 18834 439 1 . 1 1 83 83 GLY N N 83 109.505 109.505 106.933 2.572 18834 440 1 . 1 1 83 83 GLY C C 83 173.467 173.467 174.829 -1.362 18834 441 1 . 1 1 83 83 GLY CA C 83 44.092 44.092 44.231 -0.139 18834 442 1 . 1 1 83 83 GLY H H 83 8.421 8.421 8.493 -0.072 18834 443 1 . 1 1 84 84 GLN N N 84 117.276 117.276 119.110 -1.834 18834 444 1 . 1 1 84 84 GLN HA H 84 3.963 3.963 4.185 -0.222 18834 445 1 . 1 1 84 84 GLN C C 84 175.254 175.254 176.276 -1.022 18834 446 1 . 1 1 84 84 GLN CA C 84 58.443 58.443 58.426 0.017 18834 447 1 . 1 1 84 84 GLN CB C 84 28.973 28.973 29.086 -0.113 18834 448 1 . 1 1 84 84 GLN H H 84 8.224 8.224 8.514 -0.290 18834 449 1 . 1 1 85 85 VAL N N 85 116.186 116.186 116.361 -0.175 18834 450 1 . 1 1 85 85 VAL HA H 85 4.654 4.654 4.269 0.385 18834 451 1 . 1 1 85 85 VAL C C 85 175.879 175.879 175.207 0.672 18834 452 1 . 1 1 85 85 VAL CA C 85 61.298 61.298 61.661 -0.363 18834 453 1 . 1 1 85 85 VAL CB C 85 33.130 33.130 33.226 -0.096 18834 454 1 . 1 1 85 85 VAL H H 85 7.699 7.699 7.685 0.014 18834 455 1 . 1 1 86 86 VAL N N 86 128.499 128.499 124.303 4.196 18834 456 1 . 1 1 86 86 VAL HA H 86 4.447 4.447 4.347 0.100 18834 457 1 . 1 1 86 86 VAL C C 86 173.365 173.365 174.507 -1.142 18834 458 1 . 1 1 86 86 VAL CA C 86 60.965 60.965 60.943 0.022 18834 459 1 . 1 1 86 86 VAL CB C 86 34.987 34.987 33.767 1.220 18834 460 1 . 1 1 86 86 VAL H H 86 9.043 9.043 9.039 0.004 18834 461 1 . 1 1 87 87 HIS N N 87 126.357 126.357 126.585 -0.228 18834 462 1 . 1 1 87 87 HIS HA H 87 4.996 4.996 5.388 -0.392 18834 463 1 . 1 1 87 87 HIS C C 87 174.387 174.387 174.183 0.204 18834 464 1 . 1 1 87 87 HIS CA C 87 55.802 55.802 54.615 1.187 18834 465 1 . 1 1 87 87 HIS CB C 87 31.179 31.179 31.240 -0.061 18834 466 1 . 1 1 87 87 HIS H H 87 8.855 8.855 8.829 0.026 18834 467 1 . 1 1 88 88 LEU N N 88 126.780 126.780 122.388 4.392 18834 468 1 . 1 1 88 88 LEU HA H 88 4.960 4.960 4.947 0.013 18834 469 1 . 1 1 88 88 LEU C C 88 173.365 173.365 174.142 -0.777 18834 470 1 . 1 1 88 88 LEU CA C 88 53.494 53.494 53.595 -0.101 18834 471 1 . 1 1 88 88 LEU CB C 88 45.187 45.187 44.491 0.696 18834 472 1 . 1 1 88 88 LEU H H 88 9.016 9.016 8.032 0.985 18834 473 1 . 1 1 89 89 LEU N N 89 124.435 124.435 122.965 1.470 18834 474 1 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.686 0.035 18834 475 1 . 1 1 89 89 LEU C C 89 175.213 175.213 176.380 -1.167 18834 476 1 . 1 1 89 89 LEU CA C 89 53.661 53.661 54.319 -0.658 18834 477 1 . 1 1 89 89 LEU CB C 89 45.391 45.391 42.234 3.157 18834 478 1 . 1 1 89 89 LEU H H 89 7.965 7.965 8.015 -0.050 18834 479 1 . 1 1 90 90 LEU N N 90 127.444 127.444 120.499 6.945 18834 480 1 . 1 1 90 90 LEU HA H 90 5.283 5.283 5.136 0.147 18834 481 1 . 1 1 90 90 LEU C C 90 173.560 173.560 175.520 -1.960 18834 482 1 . 1 1 90 90 LEU CA C 90 54.088 54.088 52.119 1.969 18834 483 1 . 1 1 90 90 LEU CB C 90 45.956 45.956 43.732 2.224 18834 484 1 . 1 1 90 90 LEU H H 90 8.909 8.909 8.578 0.331 18834 485 1 . 1 1 91 91 GLU N N 91 118.954 118.954 119.945 -0.991 18834 486 1 . 1 1 91 91 GLU HA H 91 5.062 5.062 4.987 0.075 18834 487 1 . 1 1 91 91 GLU C C 91 176.652 176.652 175.909 0.743 18834 488 1 . 1 1 91 91 GLU CA C 91 53.787 53.787 54.119 -0.332 18834 489 1 . 1 1 91 91 GLU CB C 91 33.846 33.846 33.521 0.325 18834 490 1 . 1 1 91 91 GLU H H 91 8.813 8.813 8.834 -0.021 18834 491 1 . 1 1 92 92 LYS N N 92 129.055 129.055 126.036 3.019 18834 492 1 . 1 1 92 92 LYS HA H 92 4.387 4.387 4.463 -0.076 18834 493 1 . 1 1 92 92 LYS C C 92 178.000 178.000 177.124 0.876 18834 494 1 . 1 1 92 92 LYS CA C 92 56.262 56.262 56.676 -0.415 18834 495 1 . 1 1 92 92 LYS CB C 92 32.071 32.071 32.536 -0.465 18834 496 1 . 1 1 92 92 LYS H H 92 9.362 9.362 8.645 0.717 18834 497 1 . 1 1 93 93 GLY N N 93 117.893 117.893 109.878 8.015 18834 498 1 . 1 1 93 93 GLY C C 93 173.147 173.147 173.865 -0.718 18834 499 1 . 1 1 93 93 GLY CA C 93 45.173 45.173 44.397 0.776 18834 500 1 . 1 1 93 93 GLY H H 93 9.698 9.698 9.162 0.536 18834 501 1 . 1 1 94 94 GLN N N 94 116.797 116.797 119.029 -2.232 18834 502 1 . 1 1 94 94 GLN HA H 94 4.262 4.262 4.210 0.052 18834 503 1 . 1 1 94 94 GLN C C 94 175.942 175.942 175.411 0.531 18834 504 1 . 1 1 94 94 GLN CA C 94 55.514 55.514 56.467 -0.953 18834 505 1 . 1 1 94 94 GLN CB C 94 29.688 29.688 29.195 0.493 18834 506 1 . 1 1 94 94 GLN H H 94 8.252 8.252 8.383 -0.131 18834 507 1 . 1 1 95 95 SER N N 95 118.117 118.117 117.731 0.386 18834 508 1 . 1 1 95 95 SER HA H 95 4.658 4.658 4.685 -0.027 18834 509 1 . 1 1 95 95 SER CA C 95 56.588 56.588 56.489 0.100 18834 510 1 . 1 1 95 95 SER CB C 95 63.194 63.194 63.546 -0.352 18834 511 1 . 1 1 95 95 SER H H 95 8.377 8.377 8.298 0.079 18834 512 1 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.505 -0.028 18834 513 1 . 1 1 96 96 PRO C C 96 176.291 176.291 176.397 -0.106 18834 514 1 . 1 1 96 96 PRO CA C 96 63.511 63.511 62.986 0.525 18834 515 1 . 1 1 96 96 PRO CB C 96 31.953 31.953 32.014 -0.062 18834 stop_ save_