data_17842 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17842 _Entry.PDB_ID 2LHF 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 17842 _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 ASP N N 3 119.767 119.767 121.052 -1.285 17842 2 1 1 . 1 1 2 2 ASP C C 3 175.809 175.809 174.872 0.937 17842 3 1 1 . 1 1 2 2 ASP CA C 3 53.303 53.303 53.979 -0.676 17842 4 1 1 . 1 1 2 2 ASP CB C 3 42.915 42.915 45.700 -2.785 17842 5 1 1 . 1 1 2 2 ASP H H 3 8.443 8.443 8.128 0.315 17842 6 1 1 . 1 1 3 3 ASN N N 4 123.667 123.667 121.317 2.350 17842 7 1 1 . 1 1 3 3 ASN C C 4 174.736 174.736 174.785 -0.049 17842 8 1 1 . 1 1 3 3 ASN CA C 4 52.911 52.911 54.686 -1.775 17842 9 1 1 . 1 1 3 3 ASN CB C 4 39.160 39.160 39.372 -0.212 17842 10 1 1 . 1 1 3 3 ASN H H 4 8.923 8.923 8.922 0.001 17842 11 1 1 . 1 1 4 4 PHE N N 5 118.447 118.447 122.079 -3.632 17842 12 1 1 . 1 1 4 4 PHE C C 5 172.331 172.331 174.013 -1.682 17842 13 1 1 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.436 -1.384 17842 14 1 1 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.833 -0.970 17842 15 1 1 . 1 1 4 4 PHE H H 5 8.910 8.910 8.499 0.411 17842 16 1 1 . 1 1 5 5 VAL N N 6 116.195 116.195 117.412 -1.217 17842 17 1 1 . 1 1 5 5 VAL C C 6 174.144 174.144 174.193 -0.049 17842 18 1 1 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.654 -2.125 17842 19 1 1 . 1 1 5 5 VAL CB C 6 35.818 35.818 34.970 0.848 17842 20 1 1 . 1 1 5 5 VAL H H 6 8.903 8.903 8.835 0.068 17842 21 1 1 . 1 1 6 6 GLY N N 7 110.150 110.150 113.049 -2.899 17842 22 1 1 . 1 1 6 6 GLY C C 7 170.825 170.825 171.722 -0.897 17842 23 1 1 . 1 1 6 6 GLY CA C 7 46.218 46.218 44.951 1.267 17842 24 1 1 . 1 1 6 6 GLY H H 7 8.670 8.670 8.802 -0.132 17842 25 1 1 . 1 1 7 7 LEU N N 8 120.059 120.059 120.040 0.019 17842 26 1 1 . 1 1 7 7 LEU C C 8 175.596 175.596 175.395 0.201 17842 27 1 1 . 1 1 7 7 LEU CA C 8 52.933 52.933 53.853 -0.920 17842 28 1 1 . 1 1 7 7 LEU CB C 8 47.663 47.663 46.947 0.716 17842 29 1 1 . 1 1 7 7 LEU H H 8 8.562 8.562 7.913 0.649 17842 30 1 1 . 1 1 8 8 THR N N 9 112.180 112.180 113.717 -1.537 17842 31 1 1 . 1 1 8 8 THR C C 9 172.942 172.942 173.331 -0.389 17842 32 1 1 . 1 1 8 8 THR CA C 9 59.539 59.539 60.725 -1.186 17842 33 1 1 . 1 1 8 8 THR CB C 9 70.735 70.735 71.255 -0.520 17842 34 1 1 . 1 1 8 8 THR H H 9 9.114 9.114 8.452 0.662 17842 35 1 1 . 1 1 9 9 TRP N N 10 121.476 121.476 127.037 -5.561 17842 36 1 1 . 1 1 9 9 TRP C C 10 174.622 174.622 175.018 -0.396 17842 37 1 1 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.861 0.556 17842 38 1 1 . 1 1 9 9 TRP CB C 10 31.877 31.877 33.582 -1.705 17842 39 1 1 . 1 1 9 9 TRP H H 10 9.022 9.022 8.404 0.618 17842 40 1 1 . 1 1 10 10 GLY N N 11 112.750 112.750 113.483 -0.733 17842 41 1 1 . 1 1 10 10 GLY C C 11 171.655 171.655 172.680 -1.025 17842 42 1 1 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.934 1.006 17842 43 1 1 . 1 1 10 10 GLY H H 11 7.798 7.798 9.419 -1.621 17842 44 1 1 . 1 1 11 11 GLU N N 12 117.292 117.292 124.422 -7.130 17842 45 1 1 . 1 1 11 11 GLU C C 12 175.810 175.810 175.661 0.149 17842 46 1 1 . 1 1 11 11 GLU CA C 12 53.743 53.743 55.557 -1.814 17842 47 1 1 . 1 1 11 11 GLU CB C 12 31.361 31.361 31.714 -0.353 17842 48 1 1 . 1 1 11 11 GLU H H 12 8.223 8.223 8.848 -0.625 17842 49 1 1 . 1 1 12 12 THR N N 13 123.477 123.477 121.638 1.839 17842 50 1 1 . 1 1 12 12 THR C C 13 174.233 174.233 172.978 1.255 17842 51 1 1 . 1 1 12 12 THR CA C 13 61.872 61.872 61.127 0.745 17842 52 1 1 . 1 1 12 12 THR CB C 13 69.374 69.374 69.354 0.020 17842 53 1 1 . 1 1 12 12 THR H H 13 8.722 8.722 8.613 0.109 17842 54 1 1 . 1 1 13 13 SER N N 14 122.220 122.220 123.011 -0.791 17842 55 1 1 . 1 1 13 13 SER C C 14 173.577 173.577 174.220 -0.643 17842 56 1 1 . 1 1 13 13 SER CA C 14 56.934 56.934 57.592 -0.658 17842 57 1 1 . 1 1 13 13 SER CB C 14 64.249 64.249 64.664 -0.415 17842 58 1 1 . 1 1 13 13 SER H H 14 9.225 9.225 8.701 0.524 17842 59 1 1 . 1 1 14 14 ASN N N 15 125.159 125.159 123.399 1.760 17842 60 1 1 . 1 1 14 14 ASN C C 15 174.673 174.673 175.285 -0.612 17842 61 1 1 . 1 1 14 14 ASN CA C 15 51.888 51.888 53.616 -1.728 17842 62 1 1 . 1 1 14 14 ASN CB C 15 39.777 39.777 38.588 1.189 17842 63 1 1 . 1 1 14 14 ASN H H 15 8.745 8.745 8.819 -0.074 17842 64 1 1 . 1 1 15 15 ASN N N 16 120.330 120.330 119.221 1.109 17842 65 1 1 . 1 1 15 15 ASN C C 16 175.886 175.886 174.514 1.372 17842 66 1 1 . 1 1 15 15 ASN CA C 16 52.780 52.780 52.767 0.014 17842 67 1 1 . 1 1 15 15 ASN CB C 16 38.595 38.595 39.086 -0.491 17842 68 1 1 . 1 1 15 15 ASN H H 16 8.494 8.494 8.163 0.331 17842 69 1 1 . 1 1 20 20 LYS C C 21 176.705 176.705 175.478 1.227 17842 70 1 1 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.281 0.402 17842 71 1 1 . 1 1 21 21 SER N N 22 115.966 115.966 118.738 -2.772 17842 72 1 1 . 1 1 21 21 SER C C 22 174.564 174.564 174.478 0.086 17842 73 1 1 . 1 1 21 21 SER CA C 22 58.149 58.149 57.534 0.615 17842 74 1 1 . 1 1 21 21 SER CB C 22 63.308 63.308 63.780 -0.472 17842 75 1 1 . 1 1 21 21 SER H H 22 8.053 8.053 8.526 -0.473 17842 76 1 1 . 1 1 22 22 LEU N N 23 123.751 123.751 125.325 -1.574 17842 77 1 1 . 1 1 22 22 LEU C C 23 176.968 176.968 176.084 0.884 17842 78 1 1 . 1 1 22 22 LEU CA C 23 55.269 55.269 55.279 -0.010 17842 79 1 1 . 1 1 22 22 LEU CB C 23 42.334 42.334 42.308 0.026 17842 80 1 1 . 1 1 22 22 LEU H H 23 8.006 8.006 8.657 -0.651 17842 81 1 1 . 1 1 23 23 ASN N N 24 118.937 118.937 120.794 -1.857 17842 82 1 1 . 1 1 23 23 ASN C C 24 175.119 175.119 175.982 -0.863 17842 83 1 1 . 1 1 23 23 ASN CA C 24 52.993 52.993 53.764 -0.771 17842 84 1 1 . 1 1 23 23 ASN CB C 24 38.255 38.255 38.865 -0.610 17842 85 1 1 . 1 1 23 23 ASN H H 24 8.136 8.136 8.511 -0.375 17842 86 1 1 . 1 1 24 24 ARG N N 25 121.500 121.500 119.725 1.775 17842 87 1 1 . 1 1 24 24 ARG C C 25 175.849 175.849 175.459 0.390 17842 88 1 1 . 1 1 24 24 ARG CA C 25 56.368 56.368 56.548 -0.180 17842 89 1 1 . 1 1 24 24 ARG CB C 25 30.366 30.366 29.653 0.713 17842 90 1 1 . 1 1 24 24 ARG H H 25 8.097 8.097 8.257 -0.160 17842 91 1 1 . 1 1 25 25 ASN N N 26 119.196 119.196 115.227 3.969 17842 92 1 1 . 1 1 25 25 ASN C C 26 175.122 175.122 174.507 0.615 17842 93 1 1 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.740 -0.679 17842 94 1 1 . 1 1 25 25 ASN CB C 26 38.291 38.291 38.342 -0.051 17842 95 1 1 . 1 1 25 25 ASN H H 26 8.278 8.278 8.279 -0.001 17842 96 1 1 . 1 1 26 26 LEU N N 27 122.352 122.352 123.521 -1.169 17842 97 1 1 . 1 1 26 26 LEU C C 27 176.903 176.903 176.849 0.054 17842 98 1 1 . 1 1 26 26 LEU CA C 27 55.326 55.326 55.478 -0.152 17842 99 1 1 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.867 -0.681 17842 100 1 1 . 1 1 26 26 LEU H H 27 7.992 7.992 8.160 -0.168 17842 101 1 1 . 1 1 27 27 ASN N N 28 118.444 118.444 119.413 -0.969 17842 102 1 1 . 1 1 27 27 ASN C C 28 174.754 174.754 174.645 0.109 17842 103 1 1 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.278 -0.318 17842 104 1 1 . 1 1 27 27 ASN CB C 28 38.419 38.419 39.232 -0.813 17842 105 1 1 . 1 1 27 27 ASN H H 28 8.216 8.216 8.125 0.091 17842 106 1 1 . 1 1 28 28 SER N N 29 116.471 116.471 119.951 -3.480 17842 107 1 1 . 1 1 28 28 SER C C 29 172.778 172.778 172.700 0.078 17842 108 1 1 . 1 1 28 28 SER CA C 29 55.982 55.982 56.100 -0.118 17842 109 1 1 . 1 1 28 28 SER CB C 29 63.179 63.179 63.722 -0.543 17842 110 1 1 . 1 1 28 28 SER H H 29 7.833 7.833 8.504 -0.671 17842 111 1 1 . 1 1 29 29 PRO C C 30 176.535 176.535 175.907 0.628 17842 112 1 1 . 1 1 29 29 PRO CA C 30 63.458 63.458 63.016 0.443 17842 113 1 1 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.288 -0.616 17842 114 1 1 . 1 1 30 30 ASN N N 31 118.189 118.189 117.370 0.819 17842 115 1 1 . 1 1 30 30 ASN C C 31 175.075 175.075 174.302 0.773 17842 116 1 1 . 1 1 30 30 ASN CA C 31 53.051 53.051 53.026 0.025 17842 117 1 1 . 1 1 30 30 ASN CB C 31 38.277 38.277 38.794 -0.516 17842 118 1 1 . 1 1 30 30 ASN H H 31 8.231 8.231 8.535 -0.304 17842 119 1 1 . 1 1 31 31 LEU N N 32 122.838 122.838 122.444 0.394 17842 120 1 1 . 1 1 31 31 LEU C C 32 176.800 176.800 175.596 1.204 17842 121 1 1 . 1 1 31 31 LEU CA C 32 55.107 55.107 54.772 0.335 17842 122 1 1 . 1 1 31 31 LEU CB C 32 42.291 42.291 43.313 -1.022 17842 123 1 1 . 1 1 31 31 LEU H H 32 8.011 8.011 7.839 0.172 17842 124 1 1 . 1 1 32 32 ASP N N 33 120.740 120.740 125.618 -4.878 17842 125 1 1 . 1 1 32 32 ASP C C 33 175.863 175.863 175.422 0.441 17842 126 1 1 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.541 -0.210 17842 127 1 1 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.166 -0.409 17842 128 1 1 . 1 1 32 32 ASP H H 33 8.151 8.151 8.649 -0.498 17842 129 1 1 . 1 1 33 33 LYS N N 34 120.746 120.746 120.191 0.555 17842 130 1 1 . 1 1 33 33 LYS C C 34 175.912 175.912 175.314 0.598 17842 131 1 1 . 1 1 33 33 LYS CA C 34 55.865 55.865 56.722 -0.857 17842 132 1 1 . 1 1 33 33 LYS CB C 34 32.738 32.738 33.304 -0.566 17842 133 1 1 . 1 1 33 33 LYS H H 34 7.933 7.933 8.353 -0.420 17842 134 1 1 . 1 1 34 34 VAL N N 35 121.590 121.590 118.646 2.944 17842 135 1 1 . 1 1 34 34 VAL C C 35 175.691 175.691 174.567 1.124 17842 136 1 1 . 1 1 34 34 VAL CA C 35 62.186 62.186 62.153 0.033 17842 137 1 1 . 1 1 34 34 VAL CB C 35 32.591 32.591 32.189 0.402 17842 138 1 1 . 1 1 34 34 VAL H H 35 7.995 7.995 7.750 0.245 17842 139 1 1 . 1 1 35 35 ILE N N 36 124.025 124.025 126.928 -2.903 17842 140 1 1 . 1 1 35 35 ILE C C 36 175.266 175.266 175.447 -0.181 17842 141 1 1 . 1 1 35 35 ILE CA C 36 60.495 60.495 61.439 -0.944 17842 142 1 1 . 1 1 35 35 ILE CB C 36 38.489 38.489 38.891 -0.402 17842 143 1 1 . 1 1 35 35 ILE H H 36 8.034 8.034 8.112 -0.078 17842 144 1 1 . 1 1 36 36 ASP N N 37 125.860 125.860 128.849 -2.989 17842 145 1 1 . 1 1 36 36 ASP C C 37 175.014 175.014 174.803 0.211 17842 146 1 1 . 1 1 36 36 ASP CA C 37 53.719 53.719 52.528 1.191 17842 147 1 1 . 1 1 36 36 ASP CB C 37 41.755 41.755 42.543 -0.788 17842 148 1 1 . 1 1 36 36 ASP H H 37 8.190 8.190 8.268 -0.078 17842 149 1 1 . 1 1 37 37 ASN N N 38 120.770 120.770 115.620 5.150 17842 150 1 1 . 1 1 37 37 ASN C C 38 174.821 174.821 173.889 0.932 17842 151 1 1 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.580 -0.423 17842 152 1 1 . 1 1 37 37 ASN CB C 38 38.663 38.663 41.099 -2.436 17842 153 1 1 . 1 1 37 37 ASN H H 38 8.334 8.334 8.553 -0.219 17842 154 1 1 . 1 1 38 38 THR N N 39 115.976 115.976 112.757 3.219 17842 155 1 1 . 1 1 38 38 THR C C 39 175.226 175.226 173.447 1.779 17842 156 1 1 . 1 1 38 38 THR CA C 39 62.215 62.215 60.953 1.262 17842 157 1 1 . 1 1 38 38 THR CB C 39 69.618 69.618 70.632 -1.014 17842 158 1 1 . 1 1 38 38 THR H H 39 8.508 8.508 7.708 0.800 17842 159 1 1 . 1 1 39 39 GLY N N 40 115.818 115.818 111.129 4.689 17842 160 1 1 . 1 1 39 39 GLY C C 40 172.862 172.862 172.599 0.263 17842 161 1 1 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.776 0.392 17842 162 1 1 . 1 1 39 39 GLY H H 40 8.819 8.819 8.224 0.595 17842 163 1 1 . 1 1 40 40 THR N N 41 119.787 119.787 114.039 5.748 17842 164 1 1 . 1 1 40 40 THR C C 41 172.914 172.914 174.412 -1.498 17842 165 1 1 . 1 1 40 40 THR CA C 41 61.321 61.321 60.717 0.604 17842 166 1 1 . 1 1 40 40 THR CB C 41 71.499 71.499 70.370 1.129 17842 167 1 1 . 1 1 40 40 THR H H 41 8.117 8.117 8.224 -0.107 17842 168 1 1 . 1 1 41 41 TRP N N 42 128.090 128.090 125.501 2.589 17842 169 1 1 . 1 1 41 41 TRP C C 42 174.627 174.627 174.404 0.223 17842 170 1 1 . 1 1 41 41 TRP CA C 42 55.122 55.122 54.472 0.650 17842 171 1 1 . 1 1 41 41 TRP CB C 42 31.905 31.905 31.605 0.300 17842 172 1 1 . 1 1 41 41 TRP H H 42 8.178 8.178 8.280 -0.102 17842 173 1 1 . 1 1 42 42 GLY N N 43 109.883 109.883 109.707 0.176 17842 174 1 1 . 1 1 42 42 GLY C C 43 172.317 172.317 172.378 -0.061 17842 175 1 1 . 1 1 42 42 GLY CA C 43 44.176 44.176 44.784 -0.608 17842 176 1 1 . 1 1 42 42 GLY H H 43 8.892 8.892 8.603 0.289 17842 177 1 1 . 1 1 43 43 ILE N N 44 118.005 118.005 114.998 3.007 17842 178 1 1 . 1 1 43 43 ILE C C 44 173.071 173.071 174.210 -1.139 17842 179 1 1 . 1 1 43 43 ILE CA C 44 58.606 58.606 59.171 -0.565 17842 180 1 1 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.643 0.487 17842 181 1 1 . 1 1 43 43 ILE H H 44 8.879 8.879 8.213 0.666 17842 182 1 1 . 1 1 44 44 ARG N N 45 120.855 120.855 119.860 0.995 17842 183 1 1 . 1 1 44 44 ARG C C 45 174.942 174.942 174.723 0.219 17842 184 1 1 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.482 -1.593 17842 185 1 1 . 1 1 44 44 ARG CB C 45 33.952 33.952 35.114 -1.162 17842 186 1 1 . 1 1 44 44 ARG H H 45 8.708 8.708 8.903 -0.195 17842 187 1 1 . 1 1 45 45 ALA N N 46 119.127 119.127 126.960 -7.833 17842 188 1 1 . 1 1 45 45 ALA C C 46 175.693 175.693 175.332 0.361 17842 189 1 1 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.321 -1.701 17842 190 1 1 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.774 0.008 17842 191 1 1 . 1 1 45 45 ALA H H 46 8.419 8.419 8.397 0.022 17842 192 1 1 . 1 1 46 46 GLY N N 47 107.350 107.350 110.125 -2.775 17842 193 1 1 . 1 1 46 46 GLY C C 47 171.353 171.353 171.871 -0.518 17842 194 1 1 . 1 1 46 46 GLY CA C 47 45.630 45.630 45.298 0.332 17842 195 1 1 . 1 1 46 46 GLY H H 47 7.819 7.819 9.167 -1.348 17842 196 1 1 . 1 1 47 47 GLN N N 48 118.061 118.061 118.080 -0.019 17842 197 1 1 . 1 1 47 47 GLN C C 48 173.671 173.671 174.798 -1.127 17842 198 1 1 . 1 1 47 47 GLN CA C 48 54.365 54.365 55.061 -0.696 17842 199 1 1 . 1 1 47 47 GLN CB C 48 32.912 32.912 31.702 1.210 17842 200 1 1 . 1 1 47 47 GLN H H 48 8.483 8.483 8.412 0.071 17842 201 1 1 . 1 1 48 48 GLN N N 49 122.691 122.691 123.868 -1.177 17842 202 1 1 . 1 1 48 48 GLN C C 49 173.291 173.291 174.902 -1.611 17842 203 1 1 . 1 1 48 48 GLN CA C 49 54.593 54.593 56.137 -1.544 17842 204 1 1 . 1 1 48 48 GLN CB C 49 30.750 30.750 30.759 -0.009 17842 205 1 1 . 1 1 48 48 GLN H H 49 9.319 9.319 9.306 0.013 17842 206 1 1 . 1 1 49 49 PHE N N 50 126.379 126.379 122.457 3.922 17842 207 1 1 . 1 1 49 49 PHE C C 50 175.918 175.918 176.513 -0.595 17842 208 1 1 . 1 1 49 49 PHE CA C 50 55.013 55.013 56.775 -1.762 17842 209 1 1 . 1 1 49 49 PHE CB C 50 39.974 39.974 42.237 -2.263 17842 210 1 1 . 1 1 49 49 PHE H H 50 8.781 8.781 9.215 -0.434 17842 211 1 1 . 1 1 50 50 GLU N N 51 121.087 121.087 121.212 -0.125 17842 212 1 1 . 1 1 50 50 GLU C C 51 178.452 178.452 176.282 2.170 17842 213 1 1 . 1 1 50 50 GLU CA C 51 60.435 60.435 59.348 1.087 17842 214 1 1 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.774 -1.089 17842 215 1 1 . 1 1 50 50 GLU H H 51 8.975 8.975 8.940 0.035 17842 216 1 1 . 1 1 51 51 GLN N N 52 111.198 111.198 114.587 -3.389 17842 217 1 1 . 1 1 51 51 GLN C C 52 176.031 176.031 175.036 0.995 17842 218 1 1 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.309 0.527 17842 219 1 1 . 1 1 51 51 GLN CB C 52 28.617 28.617 28.893 -0.276 17842 220 1 1 . 1 1 51 51 GLN H H 52 7.955 7.955 8.120 -0.165 17842 221 1 1 . 1 1 52 52 GLY N N 53 110.800 110.800 108.555 2.245 17842 222 1 1 . 1 1 52 52 GLY C C 53 169.076 169.076 172.042 -2.966 17842 223 1 1 . 1 1 52 52 GLY CA C 53 45.303 45.303 45.760 -0.456 17842 224 1 1 . 1 1 52 52 GLY H H 53 6.696 6.696 7.464 -0.768 17842 225 1 1 . 1 1 53 53 ARG N N 54 111.857 111.857 117.142 -5.285 17842 226 1 1 . 1 1 53 53 ARG C C 54 172.397 172.397 173.476 -1.079 17842 227 1 1 . 1 1 53 53 ARG CA C 54 54.227 54.227 55.253 -1.026 17842 228 1 1 . 1 1 53 53 ARG CB C 54 31.755 31.755 34.020 -2.265 17842 229 1 1 . 1 1 53 53 ARG H H 54 8.216 8.216 9.126 -0.910 17842 230 1 1 . 1 1 54 54 TYR N N 55 116.379 116.379 123.486 -7.107 17842 231 1 1 . 1 1 54 54 TYR C C 55 175.461 175.461 175.236 0.225 17842 232 1 1 . 1 1 54 54 TYR CA C 55 55.296 55.296 56.394 -1.098 17842 233 1 1 . 1 1 54 54 TYR CB C 55 41.539 41.539 43.155 -1.616 17842 234 1 1 . 1 1 54 54 TYR H H 55 8.477 8.477 8.657 -0.180 17842 235 1 1 . 1 1 55 55 TYR N N 56 114.651 114.651 118.800 -4.149 17842 236 1 1 . 1 1 55 55 TYR C C 56 173.431 173.431 172.761 0.670 17842 237 1 1 . 1 1 55 55 TYR CA C 56 55.886 55.886 57.290 -1.404 17842 238 1 1 . 1 1 55 55 TYR CB C 56 37.595 37.595 39.046 -1.451 17842 239 1 1 . 1 1 55 55 TYR H H 56 8.221 8.221 8.559 -0.338 17842 240 1 1 . 1 1 56 56 ALA N N 57 125.460 125.460 126.577 -1.117 17842 241 1 1 . 1 1 56 56 ALA C C 57 175.737 175.737 176.489 -0.752 17842 242 1 1 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.425 -1.277 17842 243 1 1 . 1 1 56 56 ALA CB C 57 20.777 20.777 21.284 -0.507 17842 244 1 1 . 1 1 56 56 ALA H H 57 9.034 9.034 8.532 0.502 17842 245 1 1 . 1 1 57 57 THR N N 58 116.923 116.923 117.689 -0.766 17842 246 1 1 . 1 1 57 57 THR C C 58 173.462 173.462 173.293 0.169 17842 247 1 1 . 1 1 57 57 THR CA C 58 61.458 61.458 61.316 0.142 17842 248 1 1 . 1 1 57 57 THR CB C 58 71.683 71.683 70.866 0.817 17842 249 1 1 . 1 1 57 57 THR H H 58 8.907 8.907 8.877 0.030 17842 250 1 1 . 1 1 58 58 TYR N N 59 126.784 126.784 129.719 -2.935 17842 251 1 1 . 1 1 58 58 TYR C C 59 173.954 173.954 173.794 0.160 17842 252 1 1 . 1 1 58 58 TYR CA C 59 55.682 55.682 56.698 -1.016 17842 253 1 1 . 1 1 58 58 TYR CB C 59 41.320 41.320 40.934 0.386 17842 254 1 1 . 1 1 58 58 TYR H H 59 8.974 8.974 8.242 0.732 17842 255 1 1 . 1 1 59 59 GLU N N 60 124.211 124.211 125.069 -0.858 17842 256 1 1 . 1 1 59 59 GLU C C 60 173.989 173.989 174.317 -0.328 17842 257 1 1 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.871 -1.947 17842 258 1 1 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.928 -0.186 17842 259 1 1 . 1 1 59 59 GLU H H 60 8.049 8.049 8.205 -0.156 17842 260 1 1 . 1 1 60 60 ASN N N 61 118.358 118.358 117.612 0.746 17842 261 1 1 . 1 1 60 60 ASN C C 61 173.609 173.609 173.935 -0.326 17842 262 1 1 . 1 1 60 60 ASN CA C 61 52.281 52.281 53.561 -1.280 17842 263 1 1 . 1 1 60 60 ASN H H 61 8.155 8.155 8.296 -0.141 17842 264 1 1 . 1 1 61 61 ILE C C 62 174.902 174.902 174.606 0.296 17842 265 1 1 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.551 0.429 17842 266 1 1 . 1 1 61 61 ILE CB C 62 40.772 40.772 40.799 -0.027 17842 267 1 1 . 1 1 62 62 SER N N 63 121.368 121.368 123.687 -2.319 17842 268 1 1 . 1 1 62 62 SER C C 63 173.027 173.027 174.380 -1.353 17842 269 1 1 . 1 1 62 62 SER CA C 63 57.295 57.295 59.623 -2.328 17842 270 1 1 . 1 1 62 62 SER CB C 63 64.306 64.306 63.621 0.685 17842 271 1 1 . 1 1 62 62 SER H H 63 8.339 8.339 8.537 -0.198 17842 272 1 1 . 1 1 63 63 ASP N N 64 124.300 124.300 125.067 -0.767 17842 273 1 1 . 1 1 63 63 ASP C C 64 176.570 176.570 176.031 0.539 17842 274 1 1 . 1 1 63 63 ASP CA C 64 53.291 53.291 54.453 -1.162 17842 275 1 1 . 1 1 63 63 ASP CB C 64 42.484 42.484 42.075 0.409 17842 276 1 1 . 1 1 63 63 ASP H H 64 8.596 8.596 8.876 -0.280 17842 277 1 1 . 1 1 64 64 THR N N 65 116.756 116.756 114.627 2.129 17842 278 1 1 . 1 1 64 64 THR C C 65 175.975 175.975 175.052 0.923 17842 279 1 1 . 1 1 64 64 THR CA C 65 61.608 61.608 61.340 0.268 17842 280 1 1 . 1 1 64 64 THR CB C 65 68.856 68.856 71.256 -2.400 17842 281 1 1 . 1 1 64 64 THR H H 65 8.581 8.581 8.015 0.566 17842 282 1 1 . 1 1 65 65 SER N N 66 119.276 119.276 116.566 2.710 17842 283 1 1 . 1 1 65 65 SER CA C 66 59.728 59.728 60.594 -0.866 17842 284 1 1 . 1 1 65 65 SER CB C 66 63.514 63.514 63.695 -0.181 17842 285 1 1 . 1 1 65 65 SER H H 66 8.492 8.492 8.889 -0.397 17842 286 1 1 . 1 1 66 66 SER C C 67 175.122 175.122 174.263 0.859 17842 287 1 1 . 1 1 66 66 SER CA C 67 58.554 58.554 57.577 0.977 17842 288 1 1 . 1 1 67 67 GLY N N 68 110.266 110.266 111.257 -0.991 17842 289 1 1 . 1 1 67 67 GLY C C 68 173.832 173.832 173.466 0.366 17842 290 1 1 . 1 1 67 67 GLY CA C 68 45.207 45.207 45.108 0.099 17842 291 1 1 . 1 1 67 67 GLY H H 68 8.184 8.184 7.780 0.404 17842 292 1 1 . 1 1 68 68 ASN N N 69 118.584 118.584 121.825 -3.241 17842 293 1 1 . 1 1 68 68 ASN C C 69 174.239 174.239 175.036 -0.797 17842 294 1 1 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.185 0.545 17842 295 1 1 . 1 1 68 68 ASN CB C 69 38.938 38.938 39.853 -0.915 17842 296 1 1 . 1 1 68 68 ASN H H 69 7.972 7.972 8.052 -0.080 17842 297 1 1 . 1 1 72 72 GLN C C 73 173.610 173.610 173.400 0.210 17842 298 1 1 . 1 1 72 72 GLN CA C 73 53.449 53.449 55.117 -1.669 17842 299 1 1 . 1 1 73 73 GLN N N 74 123.659 123.659 118.677 4.982 17842 300 1 1 . 1 1 73 73 GLN C C 74 173.276 173.276 173.655 -0.379 17842 301 1 1 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.485 -0.941 17842 302 1 1 . 1 1 73 73 GLN CB C 74 34.344 34.344 33.289 1.055 17842 303 1 1 . 1 1 73 73 GLN H H 74 8.697 8.697 8.071 0.626 17842 304 1 1 . 1 1 74 74 ASN N N 75 118.720 118.720 121.599 -2.879 17842 305 1 1 . 1 1 74 74 ASN C C 75 173.733 173.733 172.594 1.139 17842 306 1 1 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.930 -2.661 17842 307 1 1 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.525 -1.455 17842 308 1 1 . 1 1 74 74 ASN H H 75 8.295 8.295 7.918 0.377 17842 309 1 1 . 1 1 75 75 LEU N N 76 124.353 124.353 127.234 -2.881 17842 310 1 1 . 1 1 75 75 LEU C C 76 174.267 174.267 174.041 0.226 17842 311 1 1 . 1 1 75 75 LEU CA C 76 53.916 53.916 53.698 0.218 17842 312 1 1 . 1 1 75 75 LEU CB C 76 44.633 44.633 45.169 -0.536 17842 313 1 1 . 1 1 75 75 LEU H H 76 8.847 8.847 7.989 0.858 17842 314 1 1 . 1 1 76 76 LEU N N 77 124.437 124.437 124.678 -0.241 17842 315 1 1 . 1 1 76 76 LEU C C 77 175.188 175.188 174.686 0.502 17842 316 1 1 . 1 1 76 76 LEU CA C 77 52.934 52.934 54.567 -1.633 17842 317 1 1 . 1 1 76 76 LEU CB C 77 45.115 45.115 47.058 -1.943 17842 318 1 1 . 1 1 76 76 LEU H H 77 9.222 9.222 8.124 1.098 17842 319 1 1 . 1 1 77 77 GLY N N 78 107.288 107.288 109.733 -2.445 17842 320 1 1 . 1 1 77 77 GLY C C 78 171.733 171.733 173.172 -1.439 17842 321 1 1 . 1 1 77 77 GLY CA C 78 44.160 44.160 44.303 -0.143 17842 322 1 1 . 1 1 77 77 GLY H H 78 9.132 9.132 8.659 0.473 17842 323 1 1 . 1 1 78 78 SER N N 79 117.437 117.437 121.505 -4.068 17842 324 1 1 . 1 1 78 78 SER C C 79 171.279 171.279 173.058 -1.779 17842 325 1 1 . 1 1 78 78 SER CA C 79 57.272 57.272 56.291 0.981 17842 326 1 1 . 1 1 78 78 SER CB C 79 65.596 65.596 64.846 0.750 17842 327 1 1 . 1 1 78 78 SER H H 79 8.210 8.210 8.148 0.062 17842 328 1 1 . 1 1 79 79 TYR N N 80 122.901 122.901 120.376 2.525 17842 329 1 1 . 1 1 79 79 TYR C C 80 173.757 173.757 173.619 0.138 17842 330 1 1 . 1 1 79 79 TYR CA C 80 56.243 56.243 54.737 1.506 17842 331 1 1 . 1 1 79 79 TYR CB C 80 42.570 42.570 39.033 3.537 17842 332 1 1 . 1 1 79 79 TYR H H 80 8.092 8.092 8.703 -0.611 17842 333 1 1 . 1 1 80 80 ASP N N 81 122.808 122.808 122.094 0.714 17842 334 1 1 . 1 1 80 80 ASP C C 81 173.607 173.607 173.750 -0.143 17842 335 1 1 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.048 0.617 17842 336 1 1 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.232 0.555 17842 337 1 1 . 1 1 80 80 ASP H H 81 8.268 8.268 8.596 -0.328 17842 338 1 1 . 1 1 81 81 ALA N N 82 121.201 121.201 121.104 0.097 17842 339 1 1 . 1 1 81 81 ALA C C 82 177.094 177.094 176.287 0.807 17842 340 1 1 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.613 -0.868 17842 341 1 1 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.895 0.616 17842 342 1 1 . 1 1 81 81 ALA H H 82 8.931 8.931 8.198 0.733 17842 343 1 1 . 1 1 82 82 PHE N N 83 116.305 116.305 122.302 -5.997 17842 344 1 1 . 1 1 82 82 PHE C C 83 176.299 176.299 174.121 2.178 17842 345 1 1 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.867 -3.203 17842 346 1 1 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.427 0.694 17842 347 1 1 . 1 1 82 82 PHE H H 83 7.404 7.404 8.379 -0.975 17842 348 1 1 . 1 1 83 83 LEU N N 84 122.208 122.208 120.561 1.647 17842 349 1 1 . 1 1 83 83 LEU C C 84 173.599 173.599 174.414 -0.815 17842 350 1 1 . 1 1 83 83 LEU CA C 84 51.874 51.874 53.002 -1.128 17842 351 1 1 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.523 -1.157 17842 352 1 1 . 1 1 83 83 LEU H H 84 9.049 9.049 7.916 1.133 17842 353 1 1 . 1 1 84 84 PRO C C 85 175.877 175.877 175.922 -0.045 17842 354 1 1 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.639 -0.598 17842 355 1 1 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.549 -0.063 17842 356 1 1 . 1 1 85 85 ILE N N 86 119.588 119.588 127.792 -8.204 17842 357 1 1 . 1 1 85 85 ILE C C 86 175.749 175.749 175.289 0.460 17842 358 1 1 . 1 1 85 85 ILE CA C 86 59.267 59.267 59.467 -0.200 17842 359 1 1 . 1 1 85 85 ILE CB C 86 39.835 39.835 38.773 1.062 17842 360 1 1 . 1 1 85 85 ILE H H 86 8.205 8.205 7.748 0.457 17842 361 1 1 . 1 1 86 86 GLY N N 87 112.396 112.396 116.144 -3.748 17842 362 1 1 . 1 1 86 86 GLY C C 87 174.218 174.218 174.146 0.072 17842 363 1 1 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.582 0.110 17842 364 1 1 . 1 1 86 86 GLY H H 87 8.364 8.364 8.668 -0.304 17842 365 1 1 . 1 1 87 87 ASP N N 88 122.109 122.109 121.296 0.813 17842 366 1 1 . 1 1 87 87 ASP C C 88 175.839 175.839 175.730 0.109 17842 367 1 1 . 1 1 87 87 ASP CA C 88 53.535 53.535 54.735 -1.200 17842 368 1 1 . 1 1 87 87 ASP CB C 88 41.132 41.132 42.390 -1.258 17842 369 1 1 . 1 1 87 87 ASP H H 88 8.249 8.249 8.435 -0.186 17842 370 1 1 . 1 1 88 88 ASN N N 89 116.308 116.308 116.626 -0.318 17842 371 1 1 . 1 1 88 88 ASN C C 89 175.100 175.100 173.980 1.120 17842 372 1 1 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.186 -0.264 17842 373 1 1 . 1 1 88 88 ASN CB C 89 38.183 38.183 38.500 -0.317 17842 374 1 1 . 1 1 88 88 ASN H H 89 8.449 8.449 8.498 -0.049 17842 375 1 1 . 1 1 89 89 ASN N N 90 115.987 115.987 116.133 -0.146 17842 376 1 1 . 1 1 89 89 ASN C C 90 173.909 173.909 175.306 -1.397 17842 377 1 1 . 1 1 89 89 ASN CA C 90 54.386 54.386 53.747 0.639 17842 378 1 1 . 1 1 89 89 ASN CB C 90 37.657 37.657 39.514 -1.857 17842 379 1 1 . 1 1 89 89 ASN H H 90 8.477 8.477 8.439 0.038 17842 380 1 1 . 1 1 90 90 THR N N 91 116.991 116.991 115.232 1.759 17842 381 1 1 . 1 1 90 90 THR C C 91 173.763 173.763 173.798 -0.035 17842 382 1 1 . 1 1 90 90 THR CA C 91 62.170 62.170 62.186 -0.016 17842 383 1 1 . 1 1 90 90 THR CB C 91 68.706 68.706 69.830 -1.124 17842 384 1 1 . 1 1 90 90 THR H H 91 7.600 7.600 8.106 -0.506 17842 385 1 1 . 1 1 91 91 LYS N N 92 124.349 124.349 123.666 0.683 17842 386 1 1 . 1 1 91 91 LYS C C 92 175.815 175.815 176.446 -0.631 17842 387 1 1 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.127 -0.721 17842 388 1 1 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.645 0.853 17842 389 1 1 . 1 1 91 91 LYS H H 92 9.249 9.249 8.612 0.637 17842 390 1 1 . 1 1 92 92 LEU N N 93 123.462 123.462 129.795 -6.333 17842 391 1 1 . 1 1 92 92 LEU C C 93 176.260 176.260 175.514 0.746 17842 392 1 1 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.048 -1.219 17842 393 1 1 . 1 1 92 92 LEU CB C 93 43.614 43.614 42.223 1.391 17842 394 1 1 . 1 1 92 92 LEU H H 93 8.650 8.650 8.092 0.558 17842 395 1 1 . 1 1 93 93 PHE N N 94 119.497 119.497 122.942 -3.445 17842 396 1 1 . 1 1 93 93 PHE C C 94 173.154 173.154 175.143 -1.989 17842 397 1 1 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.436 0.700 17842 398 1 1 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.146 1.947 17842 399 1 1 . 1 1 93 93 PHE H H 94 8.485 8.485 7.411 1.074 17842 400 1 1 . 1 1 94 94 GLY N N 95 105.945 105.945 106.829 -0.884 17842 401 1 1 . 1 1 94 94 GLY C C 95 171.815 171.815 172.542 -0.727 17842 402 1 1 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.307 -0.925 17842 403 1 1 . 1 1 94 94 GLY H H 95 8.256 8.256 8.199 0.057 17842 404 1 1 . 1 1 95 95 GLY N N 96 110.432 110.432 109.155 1.277 17842 405 1 1 . 1 1 95 95 GLY C C 96 171.826 171.826 171.331 0.495 17842 406 1 1 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.643 1.243 17842 407 1 1 . 1 1 95 95 GLY H H 96 9.005 9.005 8.975 0.030 17842 408 1 1 . 1 1 96 96 ALA N N 97 117.509 117.509 119.986 -2.477 17842 409 1 1 . 1 1 96 96 ALA C C 97 176.928 176.928 175.011 1.917 17842 410 1 1 . 1 1 96 96 ALA CA C 97 49.401 49.401 49.255 0.146 17842 411 1 1 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.249 1.176 17842 412 1 1 . 1 1 96 96 ALA H H 97 8.039 8.039 7.286 0.753 17842 413 1 1 . 1 1 97 97 THR N N 98 118.891 118.891 113.173 5.718 17842 414 1 1 . 1 1 97 97 THR C C 98 172.492 172.492 172.914 -0.422 17842 415 1 1 . 1 1 97 97 THR CA C 98 61.730 61.730 60.265 1.465 17842 416 1 1 . 1 1 97 97 THR CB C 98 73.046 73.046 71.258 1.788 17842 417 1 1 . 1 1 97 97 THR H H 98 8.379 8.379 7.867 0.512 17842 418 1 1 . 1 1 98 98 LEU N N 99 124.958 124.958 120.009 4.949 17842 419 1 1 . 1 1 98 98 LEU C C 99 175.753 175.753 174.627 1.126 17842 420 1 1 . 1 1 98 98 LEU CA C 99 53.474 53.474 53.950 -0.476 17842 421 1 1 . 1 1 98 98 LEU CB C 99 47.243 47.243 44.929 2.314 17842 422 1 1 . 1 1 98 98 LEU H H 99 8.880 8.880 8.461 0.419 17842 423 1 1 . 1 1 99 99 GLY N N 100 106.645 106.645 109.985 -3.340 17842 424 1 1 . 1 1 99 99 GLY C C 100 169.886 169.886 171.906 -2.020 17842 425 1 1 . 1 1 99 99 GLY CA C 100 46.631 46.631 44.932 1.699 17842 426 1 1 . 1 1 99 99 GLY H H 100 8.635 8.635 8.324 0.311 17842 427 1 1 . 1 1 100 100 LEU N N 101 121.823 121.823 116.077 5.746 17842 428 1 1 . 1 1 100 100 LEU C C 101 174.876 174.876 175.372 -0.496 17842 429 1 1 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.861 -1.790 17842 430 1 1 . 1 1 100 100 LEU CB C 101 46.646 46.646 45.615 1.031 17842 431 1 1 . 1 1 100 100 LEU H H 101 9.088 9.088 8.767 0.321 17842 432 1 1 . 1 1 101 101 VAL N N 102 118.857 118.857 117.262 1.595 17842 433 1 1 . 1 1 101 101 VAL C C 102 174.015 174.015 174.774 -0.759 17842 434 1 1 . 1 1 101 101 VAL CA C 102 59.666 59.666 60.077 -0.411 17842 435 1 1 . 1 1 101 101 VAL CB C 102 35.406 35.406 33.387 2.019 17842 436 1 1 . 1 1 101 101 VAL H H 102 8.291 8.291 7.928 0.363 17842 437 1 1 . 1 1 102 102 LYS N N 103 126.552 126.552 126.696 -0.144 17842 438 1 1 . 1 1 102 102 LYS C C 103 174.712 174.712 174.648 0.064 17842 439 1 1 . 1 1 102 102 LYS CA C 103 54.433 54.433 55.003 -0.570 17842 440 1 1 . 1 1 102 102 LYS CB C 103 35.733 35.733 34.462 1.271 17842 441 1 1 . 1 1 102 102 LYS H H 103 9.141 9.141 8.061 1.080 17842 442 1 1 . 1 1 103 103 LEU N N 104 129.605 129.605 125.589 4.016 17842 443 1 1 . 1 1 103 103 LEU C C 104 175.344 175.344 175.079 0.265 17842 444 1 1 . 1 1 103 103 LEU CA C 104 53.492 53.492 54.483 -0.992 17842 445 1 1 . 1 1 103 103 LEU CB C 104 45.004 45.004 45.301 -0.297 17842 446 1 1 . 1 1 103 103 LEU H H 104 8.921 8.921 8.722 0.199 17842 447 1 1 . 1 1 104 104 GLU C C 105 174.715 174.715 174.977 -0.262 17842 448 1 1 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.556 -0.930 17842 449 1 1 . 1 1 104 104 GLU CB C 105 33.055 33.055 32.834 0.221 17842 450 1 1 . 1 1 105 105 GLN N N 106 121.991 121.991 121.396 0.595 17842 451 1 1 . 1 1 105 105 GLN C C 106 175.002 175.002 173.966 1.036 17842 452 1 1 . 1 1 105 105 GLN CA C 106 54.679 54.679 54.765 -0.086 17842 453 1 1 . 1 1 105 105 GLN CB C 106 30.252 30.252 31.751 -1.499 17842 454 1 1 . 1 1 105 105 GLN H H 106 8.532 8.532 8.455 0.077 17842 455 1 1 . 1 1 106 106 ASP N N 107 123.884 123.884 119.510 4.374 17842 456 1 1 . 1 1 106 106 ASP C C 107 176.352 176.352 176.157 0.195 17842 457 1 1 . 1 1 106 106 ASP CA C 107 54.108 54.108 54.232 -0.124 17842 458 1 1 . 1 1 106 106 ASP CB C 107 41.448 41.448 40.813 0.635 17842 459 1 1 . 1 1 106 106 ASP H H 107 8.414 8.414 8.566 -0.152 17842 460 1 1 . 1 1 107 107 GLY N N 108 110.294 110.294 110.879 -0.585 17842 461 1 1 . 1 1 107 107 GLY C C 108 174.111 174.111 174.213 -0.102 17842 462 1 1 . 1 1 107 107 GLY CA C 108 44.992 44.992 45.380 -0.388 17842 463 1 1 . 1 1 107 107 GLY H H 108 8.226 8.226 8.475 -0.249 17842 464 1 1 . 1 1 108 108 LYS N N 109 121.045 121.045 120.038 1.007 17842 465 1 1 . 1 1 108 108 LYS C C 109 176.988 176.988 177.191 -0.203 17842 466 1 1 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.510 -0.267 17842 467 1 1 . 1 1 108 108 LYS CB C 109 31.957 31.957 32.401 -0.444 17842 468 1 1 . 1 1 108 108 LYS H H 109 8.130 8.130 8.210 -0.080 17842 469 1 1 . 1 1 109 109 GLY N N 110 109.975 109.975 112.457 -2.482 17842 470 1 1 . 1 1 109 109 GLY C C 110 173.856 173.856 174.161 -0.305 17842 471 1 1 . 1 1 109 109 GLY CA C 110 44.969 44.969 45.444 -0.475 17842 472 1 1 . 1 1 109 109 GLY H H 110 8.313 8.313 8.525 -0.212 17842 473 1 1 . 1 1 110 110 PHE N N 111 119.873 119.873 125.722 -5.849 17842 474 1 1 . 1 1 110 110 PHE C C 111 175.195 175.195 175.114 0.081 17842 475 1 1 . 1 1 110 110 PHE CA C 111 57.334 57.334 57.390 -0.056 17842 476 1 1 . 1 1 110 110 PHE CB C 111 39.311 39.311 39.435 -0.124 17842 477 1 1 . 1 1 110 110 PHE H H 111 7.848 7.848 8.095 -0.247 17842 478 1 1 . 1 1 111 111 LYS N N 112 122.900 122.900 126.905 -4.005 17842 479 1 1 . 1 1 111 111 LYS C C 112 175.898 175.898 176.892 -0.994 17842 480 1 1 . 1 1 111 111 LYS CA C 112 55.928 55.928 56.269 -0.341 17842 481 1 1 . 1 1 111 111 LYS CB C 112 32.741 32.741 32.903 -0.162 17842 482 1 1 . 1 1 111 111 LYS H H 112 8.073 8.073 8.530 -0.457 17842 483 1 1 . 1 1 112 112 ARG N N 113 123.302 123.302 123.297 0.005 17842 484 1 1 . 1 1 112 112 ARG C C 113 175.762 175.762 175.707 0.055 17842 485 1 1 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.880 -1.003 17842 486 1 1 . 1 1 112 112 ARG CB C 113 30.678 30.678 31.000 -0.322 17842 487 1 1 . 1 1 112 112 ARG H H 113 8.277 8.277 8.620 -0.343 17842 488 1 1 . 1 1 113 113 ASP N N 114 122.193 122.193 120.224 1.969 17842 489 1 1 . 1 1 113 113 ASP C C 114 175.875 175.875 177.173 -1.298 17842 490 1 1 . 1 1 113 113 ASP CA C 114 54.219 54.219 54.642 -0.423 17842 491 1 1 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.536 -0.257 17842 492 1 1 . 1 1 113 113 ASP H H 114 8.300 8.300 8.314 -0.014 17842 493 1 1 . 1 1 114 114 SER N N 115 114.844 114.844 117.958 -3.114 17842 494 1 1 . 1 1 114 114 SER C C 115 173.567 173.567 174.794 -1.227 17842 495 1 1 . 1 1 114 114 SER CA C 115 57.538 57.538 59.166 -1.628 17842 496 1 1 . 1 1 114 114 SER CB C 115 64.306 64.306 63.767 0.540 17842 497 1 1 . 1 1 114 114 SER H H 115 8.071 8.071 8.604 -0.533 17842 498 1 1 . 1 1 115 115 ASP N N 116 122.371 122.371 120.063 2.308 17842 499 1 1 . 1 1 115 115 ASP C C 116 175.096 175.096 174.341 0.755 17842 500 1 1 . 1 1 115 115 ASP CA C 116 53.960 53.960 55.387 -1.427 17842 501 1 1 . 1 1 115 115 ASP CB C 116 42.394 42.394 40.061 2.333 17842 502 1 1 . 1 1 115 115 ASP H H 116 8.400 8.400 8.556 -0.156 17842 503 1 1 . 1 1 116 116 VAL N N 117 120.462 120.462 118.499 1.963 17842 504 1 1 . 1 1 116 116 VAL C C 117 175.349 175.349 174.039 1.310 17842 505 1 1 . 1 1 116 116 VAL CA C 117 60.785 60.785 61.687 -0.902 17842 506 1 1 . 1 1 116 116 VAL CB C 117 33.507 33.507 33.954 -0.447 17842 507 1 1 . 1 1 116 116 VAL H H 117 8.014 8.014 7.338 0.676 17842 508 1 1 . 1 1 117 117 GLY N N 118 112.807 112.807 116.388 -3.581 17842 509 1 1 . 1 1 117 117 GLY C C 118 172.079 172.079 172.191 -0.112 17842 510 1 1 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.276 -1.021 17842 511 1 1 . 1 1 117 117 GLY H H 118 8.871 8.871 7.849 1.022 17842 512 1 1 . 1 1 118 118 TYR N N 119 117.704 117.704 125.865 -8.161 17842 513 1 1 . 1 1 118 118 TYR C C 119 175.024 175.024 174.410 0.614 17842 514 1 1 . 1 1 118 118 TYR CA C 119 55.968 55.968 57.870 -1.902 17842 515 1 1 . 1 1 118 118 TYR CB C 119 41.089 41.089 38.853 2.236 17842 516 1 1 . 1 1 118 118 TYR H H 119 8.406 8.406 8.804 -0.398 17842 517 1 1 . 1 1 119 119 ALA N N 120 122.050 122.050 129.431 -7.381 17842 518 1 1 . 1 1 119 119 ALA C C 120 175.218 175.218 175.287 -0.069 17842 519 1 1 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.707 -0.046 17842 520 1 1 . 1 1 119 119 ALA CB C 120 23.187 23.187 21.797 1.390 17842 521 1 1 . 1 1 119 119 ALA H H 120 8.605 8.605 7.643 0.962 17842 522 1 1 . 1 1 120 120 ALA N N 121 119.839 119.839 124.915 -5.076 17842 523 1 1 . 1 1 120 120 ALA C C 121 175.881 175.881 175.834 0.047 17842 524 1 1 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.110 -1.770 17842 525 1 1 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.672 0.793 17842 526 1 1 . 1 1 120 120 ALA H H 121 8.476 8.476 7.942 0.534 17842 527 1 1 . 1 1 121 121 GLY N N 122 107.807 107.807 108.565 -0.758 17842 528 1 1 . 1 1 121 121 GLY C C 122 171.191 171.191 172.027 -0.836 17842 529 1 1 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.772 0.293 17842 530 1 1 . 1 1 121 121 GLY H H 122 8.931 8.931 8.184 0.747 17842 531 1 1 . 1 1 122 122 LEU N N 123 118.400 118.400 120.242 -1.842 17842 532 1 1 . 1 1 122 122 LEU C C 123 174.684 174.684 174.484 0.200 17842 533 1 1 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.126 -0.899 17842 534 1 1 . 1 1 122 122 LEU CB C 123 48.385 48.385 47.234 1.151 17842 535 1 1 . 1 1 122 122 LEU H H 123 8.351 8.351 8.284 0.067 17842 536 1 1 . 1 1 123 123 GLN N N 124 113.455 113.455 116.880 -3.425 17842 537 1 1 . 1 1 123 123 GLN C C 124 173.895 173.895 173.822 0.073 17842 538 1 1 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.795 -0.791 17842 539 1 1 . 1 1 123 123 GLN CB C 124 28.135 28.135 34.058 -5.923 17842 540 1 1 . 1 1 123 123 GLN H H 124 8.159 8.159 9.058 -0.899 17842 541 1 1 . 1 1 124 124 ALA N N 125 118.711 118.711 121.676 -2.965 17842 542 1 1 . 1 1 124 124 ALA C C 125 174.962 174.962 174.740 0.222 17842 543 1 1 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.510 -1.714 17842 544 1 1 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.610 0.396 17842 545 1 1 . 1 1 124 124 ALA H H 125 8.638 8.638 8.228 0.410 17842 546 1 1 . 1 1 125 125 GLY N N 126 103.783 103.783 107.017 -3.234 17842 547 1 1 . 1 1 125 125 GLY C C 126 170.390 170.390 171.295 -0.905 17842 548 1 1 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.098 1.312 17842 549 1 1 . 1 1 125 125 GLY H H 126 7.103 7.103 6.866 0.237 17842 550 1 1 . 1 1 126 126 ILE N N 127 118.306 118.306 114.977 3.329 17842 551 1 1 . 1 1 126 126 ILE C C 127 172.353 172.353 174.021 -1.668 17842 552 1 1 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.316 -1.723 17842 553 1 1 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.007 1.157 17842 554 1 1 . 1 1 126 126 ILE H H 127 8.564 8.564 8.057 0.507 17842 555 1 1 . 1 1 127 127 LEU N N 128 129.339 129.339 127.836 1.503 17842 556 1 1 . 1 1 127 127 LEU C C 128 173.613 173.613 176.332 -2.719 17842 557 1 1 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.138 -0.610 17842 558 1 1 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.448 3.356 17842 559 1 1 . 1 1 127 127 LEU H H 128 9.236 9.236 8.350 0.886 17842 560 1 1 . 1 1 128 128 GLN N N 129 126.801 126.801 125.648 1.153 17842 561 1 1 . 1 1 128 128 GLN C C 129 175.093 175.093 175.375 -0.282 17842 562 1 1 . 1 1 128 128 GLN CA C 129 53.194 53.194 55.111 -1.917 17842 563 1 1 . 1 1 128 128 GLN CB C 129 30.947 30.947 30.024 0.923 17842 564 1 1 . 1 1 128 128 GLN H H 129 9.352 9.352 9.025 0.327 17842 565 1 1 . 1 1 129 129 GLU N N 130 126.822 126.822 123.373 3.449 17842 566 1 1 . 1 1 129 129 GLU C C 130 176.651 176.651 175.290 1.361 17842 567 1 1 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.331 0.849 17842 568 1 1 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.486 -3.725 17842 569 1 1 . 1 1 129 129 GLU H H 130 8.518 8.518 8.314 0.204 17842 570 1 1 . 1 1 130 130 LEU N N 131 126.031 126.031 123.735 2.296 17842 571 1 1 . 1 1 130 130 LEU C C 131 176.044 176.044 177.486 -1.442 17842 572 1 1 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.830 -0.655 17842 573 1 1 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.679 0.176 17842 574 1 1 . 1 1 130 130 LEU H H 131 8.708 8.708 8.732 -0.024 17842 575 1 1 . 1 1 131 131 SER N N 132 113.049 113.049 112.221 0.828 17842 576 1 1 . 1 1 131 131 SER C C 132 174.092 174.092 173.370 0.722 17842 577 1 1 . 1 1 131 131 SER CA C 132 55.993 55.993 57.784 -1.791 17842 578 1 1 . 1 1 131 131 SER CB C 132 64.945 64.945 64.120 0.825 17842 579 1 1 . 1 1 131 131 SER H H 132 8.282 8.282 7.751 0.531 17842 580 1 1 . 1 1 132 132 LYS C C 133 176.346 176.346 175.670 0.676 17842 581 1 1 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.764 1.732 17842 582 1 1 . 1 1 132 132 LYS CB C 133 31.009 31.009 31.206 -0.197 17842 583 1 1 . 1 1 133 133 ASN N N 134 110.795 110.795 116.743 -5.948 17842 584 1 1 . 1 1 133 133 ASN C C 134 173.897 173.897 173.896 0.001 17842 585 1 1 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.456 0.122 17842 586 1 1 . 1 1 133 133 ASN CB C 134 40.830 40.830 41.571 -0.741 17842 587 1 1 . 1 1 133 133 ASN H H 134 7.761 7.761 8.326 -0.565 17842 588 1 1 . 1 1 134 134 ALA N N 135 122.181 122.181 119.737 2.444 17842 589 1 1 . 1 1 134 134 ALA C C 135 176.250 176.250 175.276 0.974 17842 590 1 1 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.818 -0.661 17842 591 1 1 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.304 0.829 17842 592 1 1 . 1 1 134 134 ALA H H 135 7.562 7.562 7.880 -0.318 17842 593 1 1 . 1 1 135 135 SER N N 136 114.617 114.617 114.760 -0.143 17842 594 1 1 . 1 1 135 135 SER C C 136 172.507 172.507 173.861 -1.354 17842 595 1 1 . 1 1 135 135 SER CA C 136 56.164 56.164 56.492 -0.327 17842 596 1 1 . 1 1 135 135 SER CB C 136 66.255 66.255 65.608 0.647 17842 597 1 1 . 1 1 135 135 SER H H 136 8.717 8.717 8.487 0.230 17842 598 1 1 . 1 1 136 136 ILE N N 137 114.495 114.495 120.276 -5.781 17842 599 1 1 . 1 1 136 136 ILE C C 137 173.136 173.136 173.944 -0.808 17842 600 1 1 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.389 -1.968 17842 601 1 1 . 1 1 136 136 ILE CB C 137 42.700 42.700 42.146 0.554 17842 602 1 1 . 1 1 136 136 ILE H H 137 8.592 8.592 8.763 -0.171 17842 603 1 1 . 1 1 137 137 GLU N N 138 122.016 122.016 124.537 -2.521 17842 604 1 1 . 1 1 137 137 GLU C C 138 173.792 173.792 175.722 -1.930 17842 605 1 1 . 1 1 137 137 GLU CA C 138 53.537 53.537 54.344 -0.807 17842 606 1 1 . 1 1 137 137 GLU CB C 138 35.118 35.118 32.170 2.948 17842 607 1 1 . 1 1 137 137 GLU H H 138 8.902 8.902 8.918 -0.016 17842 608 1 1 . 1 1 138 138 GLY N N 139 107.847 107.847 109.820 -1.973 17842 609 1 1 . 1 1 138 138 GLY C C 139 171.817 171.817 172.899 -1.082 17842 610 1 1 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.343 -1.273 17842 611 1 1 . 1 1 138 138 GLY H H 139 8.485 8.485 8.232 0.253 17842 612 1 1 . 1 1 139 139 GLY N N 140 108.290 108.290 111.803 -3.513 17842 613 1 1 . 1 1 139 139 GLY C C 140 169.172 169.172 171.983 -2.811 17842 614 1 1 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.846 -0.132 17842 615 1 1 . 1 1 139 139 GLY H H 140 7.841 7.841 8.750 -0.909 17842 616 1 1 . 1 1 140 140 TYR N N 141 119.674 119.674 119.135 0.539 17842 617 1 1 . 1 1 140 140 TYR C C 141 173.643 173.643 174.012 -0.369 17842 618 1 1 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.837 -1.658 17842 619 1 1 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.287 -0.143 17842 620 1 1 . 1 1 140 140 TYR H H 141 8.726 8.726 8.702 0.024 17842 621 1 1 . 1 1 141 141 ARG N N 142 125.021 125.021 120.744 4.277 17842 622 1 1 . 1 1 141 141 ARG C C 142 173.533 173.533 173.207 0.326 17842 623 1 1 . 1 1 141 141 ARG CA C 142 53.813 53.813 54.964 -1.151 17842 624 1 1 . 1 1 141 141 ARG CB C 142 33.239 33.239 33.844 -0.605 17842 625 1 1 . 1 1 141 141 ARG H H 142 8.502 8.502 8.604 -0.102 17842 626 1 1 . 1 1 142 142 TYR N N 143 128.805 128.805 124.614 4.191 17842 627 1 1 . 1 1 142 142 TYR C C 143 173.475 173.475 174.999 -1.524 17842 628 1 1 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.266 0.162 17842 629 1 1 . 1 1 142 142 TYR CB C 143 41.642 41.642 40.336 1.306 17842 630 1 1 . 1 1 142 142 TYR H H 143 8.978 8.978 8.996 -0.018 17842 631 1 1 . 1 1 143 143 LEU N N 144 125.513 125.513 122.448 3.065 17842 632 1 1 . 1 1 143 143 LEU C C 144 175.370 175.370 175.115 0.255 17842 633 1 1 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.118 -1.225 17842 634 1 1 . 1 1 143 143 LEU CB C 144 45.924 45.924 46.591 -0.667 17842 635 1 1 . 1 1 143 143 LEU H H 144 8.117 8.117 8.718 -0.601 17842 636 1 1 . 1 1 144 144 ARG N N 145 122.193 122.193 120.817 1.376 17842 637 1 1 . 1 1 144 144 ARG C C 145 175.452 175.452 175.127 0.325 17842 638 1 1 . 1 1 144 144 ARG CA C 145 54.077 54.077 54.303 -0.226 17842 639 1 1 . 1 1 144 144 ARG CB C 145 31.377 31.377 34.046 -2.669 17842 640 1 1 . 1 1 144 144 ARG H H 145 8.810 8.810 8.810 0.000 17842 641 1 1 . 1 1 145 145 THR C C 146 172.708 172.708 173.388 -0.680 17842 642 1 1 . 1 1 145 145 THR CA C 146 59.117 59.117 60.205 -1.088 17842 643 1 1 . 1 1 145 145 THR CB C 146 70.345 70.345 70.748 -0.402 17842 644 1 1 . 1 1 146 146 ASN N N 147 120.236 120.236 118.230 2.006 17842 645 1 1 . 1 1 146 146 ASN C C 147 175.341 175.341 174.988 0.353 17842 646 1 1 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.828 -1.948 17842 647 1 1 . 1 1 146 146 ASN CB C 147 38.462 38.462 38.443 0.019 17842 648 1 1 . 1 1 146 146 ASN H H 147 8.259 8.259 8.357 -0.098 17842 649 1 1 . 1 1 147 147 ALA N N 148 124.724 124.724 127.166 -2.442 17842 650 1 1 . 1 1 147 147 ALA C C 148 176.378 176.378 176.533 -0.155 17842 651 1 1 . 1 1 147 147 ALA CA C 148 52.179 52.179 51.860 0.319 17842 652 1 1 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.737 -1.111 17842 653 1 1 . 1 1 147 147 ALA H H 148 8.256 8.256 8.282 -0.026 17842 654 1 1 . 1 1 148 148 SER N N 149 115.670 115.670 117.378 -1.708 17842 655 1 1 . 1 1 148 148 SER C C 149 174.123 174.123 174.464 -0.341 17842 656 1 1 . 1 1 148 148 SER CA C 149 57.281 57.281 57.913 -0.632 17842 657 1 1 . 1 1 148 148 SER CB C 149 64.685 64.685 63.503 1.182 17842 658 1 1 . 1 1 148 148 SER H H 149 8.372 8.372 8.285 0.087 17842 659 1 1 . 1 1 149 149 THR N N 150 115.292 115.292 119.659 -4.367 17842 660 1 1 . 1 1 149 149 THR C C 150 173.858 173.858 173.232 0.626 17842 661 1 1 . 1 1 149 149 THR CA C 150 61.189 61.189 62.666 -1.477 17842 662 1 1 . 1 1 149 149 THR CB C 150 69.105 69.105 69.319 -0.214 17842 663 1 1 . 1 1 149 149 THR H H 150 8.228 8.228 8.380 -0.152 17842 664 1 1 . 1 1 150 150 GLU N N 151 123.244 123.244 120.511 2.733 17842 665 1 1 . 1 1 150 150 GLU C C 151 176.121 176.121 176.635 -0.514 17842 666 1 1 . 1 1 150 150 GLU CA C 151 56.002 56.002 55.665 0.337 17842 667 1 1 . 1 1 150 150 GLU CB C 151 29.931 29.931 31.053 -1.122 17842 668 1 1 . 1 1 150 150 GLU H H 151 8.186 8.186 8.332 -0.146 17842 669 1 1 . 1 1 151 151 MET N N 152 121.600 121.600 120.524 1.076 17842 670 1 1 . 1 1 151 151 MET C C 152 175.810 175.810 176.044 -0.234 17842 671 1 1 . 1 1 151 151 MET CA C 152 55.254 55.254 57.389 -2.135 17842 672 1 1 . 1 1 151 151 MET CB C 152 33.247 33.247 32.844 0.403 17842 673 1 1 . 1 1 151 151 MET H H 152 8.248 8.248 8.587 -0.339 17842 674 1 1 . 1 1 152 152 THR N N 153 117.486 117.486 114.415 3.071 17842 675 1 1 . 1 1 152 152 THR C C 153 172.907 172.907 172.457 0.450 17842 676 1 1 . 1 1 152 152 THR CA C 153 59.365 59.365 58.814 0.551 17842 677 1 1 . 1 1 152 152 THR CB C 153 69.366 69.366 68.654 0.712 17842 678 1 1 . 1 1 152 152 THR H H 153 8.113 8.113 7.770 0.343 17842 679 1 1 . 1 1 155 155 GLY C C 156 174.620 174.620 174.147 0.473 17842 680 1 1 . 1 1 155 155 GLY CA C 156 45.280 45.280 45.025 0.255 17842 681 1 1 . 1 1 156 156 GLY N N 157 109.059 109.059 110.575 -1.516 17842 682 1 1 . 1 1 156 156 GLY C C 157 173.801 173.801 174.404 -0.603 17842 683 1 1 . 1 1 156 156 GLY CA C 157 44.929 44.929 45.757 -0.828 17842 684 1 1 . 1 1 156 156 GLY H H 157 8.175 8.175 9.003 -0.828 17842 685 1 1 . 1 1 157 157 ASN N N 158 118.630 118.630 117.835 0.795 17842 686 1 1 . 1 1 157 157 ASN C C 158 175.025 175.025 174.024 1.001 17842 687 1 1 . 1 1 157 157 ASN CA C 158 52.791 52.791 52.703 0.088 17842 688 1 1 . 1 1 157 157 ASN CB C 158 38.532 38.532 41.292 -2.760 17842 689 1 1 . 1 1 157 157 ASN H H 158 8.114 8.114 8.126 -0.012 17842 690 1 1 . 1 1 158 158 LYS N N 159 121.755 121.755 123.085 -1.330 17842 691 1 1 . 1 1 158 158 LYS C C 159 176.361 176.361 175.685 0.676 17842 692 1 1 . 1 1 158 158 LYS CA C 159 56.472 56.472 55.667 0.805 17842 693 1 1 . 1 1 158 158 LYS CB C 159 32.403 32.403 32.117 0.286 17842 694 1 1 . 1 1 158 158 LYS H H 159 8.169 8.169 8.516 -0.347 17842 695 1 1 . 1 1 159 159 LEU N N 160 123.084 123.084 125.347 -2.263 17842 696 1 1 . 1 1 159 159 LEU C C 160 177.408 177.408 177.172 0.236 17842 697 1 1 . 1 1 159 159 LEU CA C 160 55.162 55.162 54.726 0.436 17842 698 1 1 . 1 1 159 159 LEU CB C 160 42.690 42.690 41.303 1.387 17842 699 1 1 . 1 1 159 159 LEU H H 160 8.173 8.173 8.399 -0.226 17842 700 1 1 . 1 1 160 160 GLY N N 161 109.180 109.180 113.926 -4.746 17842 701 1 1 . 1 1 160 160 GLY C C 161 173.574 173.574 174.019 -0.445 17842 702 1 1 . 1 1 160 160 GLY CA C 161 44.877 44.877 45.435 -0.558 17842 703 1 1 . 1 1 160 160 GLY H H 161 8.117 8.117 8.569 -0.452 17842 704 1 1 . 1 1 161 161 SER N N 162 115.719 115.719 114.570 1.149 17842 705 1 1 . 1 1 161 161 SER C C 162 173.715 173.715 172.728 0.987 17842 706 1 1 . 1 1 161 161 SER CA C 162 57.965 57.965 57.634 0.331 17842 707 1 1 . 1 1 161 161 SER CB C 162 63.856 63.856 64.493 -0.637 17842 708 1 1 . 1 1 161 161 SER H H 162 8.064 8.064 8.275 -0.211 17842 709 1 1 . 1 1 162 162 LEU N N 163 123.433 123.433 121.361 2.072 17842 710 1 1 . 1 1 162 162 LEU C C 163 175.609 175.609 175.203 0.406 17842 711 1 1 . 1 1 162 162 LEU CA C 163 54.385 54.385 54.281 0.104 17842 712 1 1 . 1 1 162 162 LEU CB C 163 43.046 43.046 43.001 0.045 17842 713 1 1 . 1 1 162 162 LEU H H 163 8.282 8.282 8.007 0.275 17842 714 1 1 . 1 1 163 163 ASP N N 164 122.223 122.223 122.046 0.177 17842 715 1 1 . 1 1 163 163 ASP C C 164 175.122 175.122 176.672 -1.550 17842 716 1 1 . 1 1 163 163 ASP CA C 164 53.400 53.400 53.872 -0.472 17842 717 1 1 . 1 1 163 163 ASP CB C 164 41.200 41.200 41.774 -0.574 17842 718 1 1 . 1 1 163 163 ASP H H 164 8.356 8.356 8.266 0.090 17842 719 1 1 . 1 1 166 166 SER C C 167 172.472 172.472 173.563 -1.091 17842 720 1 1 . 1 1 166 166 SER CA C 167 56.760 56.760 57.333 -0.573 17842 721 1 1 . 1 1 167 167 SER N N 168 115.939 115.939 118.445 -2.506 17842 722 1 1 . 1 1 167 167 SER C C 168 173.318 173.318 173.582 -0.264 17842 723 1 1 . 1 1 167 167 SER CA C 168 56.763 56.763 57.861 -1.097 17842 724 1 1 . 1 1 167 167 SER CB C 168 65.286 65.286 64.684 0.602 17842 725 1 1 . 1 1 167 167 SER H H 168 8.678 8.678 8.635 0.043 17842 726 1 1 . 1 1 168 168 SER C C 169 172.500 172.500 173.527 -1.027 17842 727 1 1 . 1 1 168 168 SER CA C 169 56.569 56.569 58.065 -1.496 17842 728 1 1 . 1 1 168 168 SER CB C 169 65.738 65.738 64.230 1.508 17842 729 1 1 . 1 1 169 169 GLN N N 170 122.951 122.951 123.178 -0.227 17842 730 1 1 . 1 1 169 169 GLN C C 170 174.697 174.697 174.987 -0.290 17842 731 1 1 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.986 -0.948 17842 732 1 1 . 1 1 169 169 GLN CB C 170 32.383 32.383 33.484 -1.101 17842 733 1 1 . 1 1 169 169 GLN H H 170 8.745 8.745 7.948 0.797 17842 734 1 1 . 1 1 170 170 PHE N N 171 125.628 125.628 120.008 5.620 17842 735 1 1 . 1 1 170 170 PHE C C 171 174.628 174.628 175.463 -0.835 17842 736 1 1 . 1 1 170 170 PHE CA C 171 56.200 56.200 57.332 -1.132 17842 737 1 1 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.403 -0.851 17842 738 1 1 . 1 1 170 170 PHE H H 171 7.771 7.771 8.581 -0.810 17842 739 1 1 . 1 1 171 171 TYR N N 172 121.558 121.558 120.670 0.888 17842 740 1 1 . 1 1 171 171 TYR C C 172 171.727 171.727 174.370 -2.643 17842 741 1 1 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.030 -0.984 17842 742 1 1 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.163 0.276 17842 743 1 1 . 1 1 171 171 TYR H H 172 8.696 8.696 9.175 -0.479 17842 744 1 1 . 1 1 172 172 LEU N N 173 119.230 119.230 122.159 -2.929 17842 745 1 1 . 1 1 172 172 LEU C C 173 176.352 176.352 174.829 1.523 17842 746 1 1 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.299 -1.556 17842 747 1 1 . 1 1 172 172 LEU CB C 173 46.537 46.537 45.475 1.062 17842 748 1 1 . 1 1 172 172 LEU H H 173 8.971 8.971 8.160 0.811 17842 749 1 1 . 1 1 173 173 GLY N N 174 107.248 107.248 108.823 -1.575 17842 750 1 1 . 1 1 173 173 GLY C C 174 170.680 170.680 172.150 -1.470 17842 751 1 1 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.192 -1.272 17842 752 1 1 . 1 1 173 173 GLY H H 174 9.085 9.085 8.949 0.136 17842 753 1 1 . 1 1 174 174 ALA N N 175 121.461 121.461 121.538 -0.077 17842 754 1 1 . 1 1 174 174 ALA C C 175 174.546 174.546 175.372 -0.826 17842 755 1 1 . 1 1 174 174 ALA CA C 175 50.312 50.312 50.372 -0.060 17842 756 1 1 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.365 -0.722 17842 757 1 1 . 1 1 174 174 ALA H H 175 8.575 8.575 7.946 0.629 17842 758 1 1 . 1 1 175 175 ASN N N 176 117.370 117.370 116.827 0.543 17842 759 1 1 . 1 1 175 175 ASN C C 176 173.370 173.370 172.950 0.420 17842 760 1 1 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.771 -2.172 17842 761 1 1 . 1 1 175 175 ASN CB C 176 41.957 41.957 43.219 -1.262 17842 762 1 1 . 1 1 175 175 ASN H H 176 8.762 8.762 8.430 0.333 17842 763 1 1 . 1 1 176 176 TYR N N 177 122.724 122.724 126.542 -3.818 17842 764 1 1 . 1 1 176 176 TYR C C 177 173.924 173.924 174.070 -0.146 17842 765 1 1 . 1 1 176 176 TYR CA C 177 56.438 56.438 55.825 0.612 17842 766 1 1 . 1 1 176 176 TYR CB C 177 42.401 42.401 40.203 2.198 17842 767 1 1 . 1 1 176 176 TYR H H 177 9.570 9.570 9.212 0.358 17842 768 1 1 . 1 1 177 177 LYS N N 178 127.067 127.067 125.407 1.660 17842 769 1 1 . 1 1 177 177 LYS C C 178 174.336 174.336 174.343 -0.007 17842 770 1 1 . 1 1 177 177 LYS CA C 178 54.243 54.243 54.883 -0.640 17842 771 1 1 . 1 1 177 177 LYS CB C 178 33.951 33.951 32.886 1.065 17842 772 1 1 . 1 1 177 177 LYS H H 178 8.284 8.284 7.785 0.499 17842 773 1 2 . 1 1 2 2 ASP N N 3 119.767 119.767 118.895 0.872 17842 774 1 2 . 1 1 2 2 ASP C C 3 175.809 175.809 175.161 0.648 17842 775 1 2 . 1 1 2 2 ASP CA C 3 53.303 53.303 52.956 0.347 17842 776 1 2 . 1 1 2 2 ASP CB C 3 42.915 42.915 44.158 -1.243 17842 777 1 2 . 1 1 2 2 ASP H H 3 8.443 8.443 8.501 -0.058 17842 778 1 2 . 1 1 3 3 ASN N N 4 123.667 123.667 119.054 4.613 17842 779 1 2 . 1 1 3 3 ASN C C 4 174.736 174.736 174.070 0.666 17842 780 1 2 . 1 1 3 3 ASN CA C 4 52.911 52.911 53.113 -0.202 17842 781 1 2 . 1 1 3 3 ASN CB C 4 39.160 39.160 40.752 -1.593 17842 782 1 2 . 1 1 3 3 ASN H H 4 8.923 8.923 8.713 0.210 17842 783 1 2 . 1 1 4 4 PHE N N 5 118.447 118.447 123.682 -5.235 17842 784 1 2 . 1 1 4 4 PHE C C 5 172.331 172.331 173.576 -1.245 17842 785 1 2 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.422 -1.370 17842 786 1 2 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.785 -0.922 17842 787 1 2 . 1 1 4 4 PHE H H 5 8.910 8.910 8.434 0.476 17842 788 1 2 . 1 1 5 5 VAL N N 6 116.195 116.195 118.682 -2.487 17842 789 1 2 . 1 1 5 5 VAL C C 6 174.144 174.144 174.327 -0.183 17842 790 1 2 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.000 -1.471 17842 791 1 2 . 1 1 5 5 VAL CB C 6 35.818 35.818 34.490 1.328 17842 792 1 2 . 1 1 5 5 VAL H H 6 8.903 8.903 8.766 0.137 17842 793 1 2 . 1 1 6 6 GLY N N 7 110.150 110.150 113.460 -3.310 17842 794 1 2 . 1 1 6 6 GLY C C 7 170.825 170.825 171.941 -1.116 17842 795 1 2 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.417 0.800 17842 796 1 2 . 1 1 6 6 GLY H H 7 8.670 8.670 8.909 -0.239 17842 797 1 2 . 1 1 7 7 LEU N N 8 120.059 120.059 119.089 0.970 17842 798 1 2 . 1 1 7 7 LEU C C 8 175.596 175.596 174.840 0.756 17842 799 1 2 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.227 -1.294 17842 800 1 2 . 1 1 7 7 LEU CB C 8 47.663 47.663 47.011 0.652 17842 801 1 2 . 1 1 7 7 LEU H H 8 8.562 8.562 8.075 0.487 17842 802 1 2 . 1 1 8 8 THR N N 9 112.180 112.180 115.733 -3.553 17842 803 1 2 . 1 1 8 8 THR C C 9 172.942 172.942 172.571 0.371 17842 804 1 2 . 1 1 8 8 THR CA C 9 59.539 59.539 61.702 -2.163 17842 805 1 2 . 1 1 8 8 THR CB C 9 70.735 70.735 71.038 -0.303 17842 806 1 2 . 1 1 8 8 THR H H 9 9.114 9.114 8.352 0.762 17842 807 1 2 . 1 1 9 9 TRP N N 10 121.476 121.476 130.915 -9.439 17842 808 1 2 . 1 1 9 9 TRP C C 10 174.622 174.622 174.754 -0.132 17842 809 1 2 . 1 1 9 9 TRP CA C 10 56.418 56.418 54.856 1.562 17842 810 1 2 . 1 1 9 9 TRP CB C 10 31.877 31.877 32.571 -0.693 17842 811 1 2 . 1 1 9 9 TRP H H 10 9.022 9.022 8.315 0.707 17842 812 1 2 . 1 1 10 10 GLY N N 11 112.750 112.750 115.002 -2.252 17842 813 1 2 . 1 1 10 10 GLY C C 11 171.655 171.655 172.206 -0.551 17842 814 1 2 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.821 1.119 17842 815 1 2 . 1 1 10 10 GLY H H 11 7.798 7.798 9.800 -2.002 17842 816 1 2 . 1 1 11 11 GLU N N 12 117.292 117.292 119.913 -2.621 17842 817 1 2 . 1 1 11 11 GLU C C 12 175.810 175.810 174.976 0.834 17842 818 1 2 . 1 1 11 11 GLU CA C 12 53.743 53.743 55.766 -2.023 17842 819 1 2 . 1 1 11 11 GLU CB C 12 31.361 31.361 33.830 -2.469 17842 820 1 2 . 1 1 11 11 GLU H H 12 8.223 8.223 8.569 -0.346 17842 821 1 2 . 1 1 12 12 THR N N 13 123.477 123.477 116.731 6.746 17842 822 1 2 . 1 1 12 12 THR C C 13 174.233 174.233 173.961 0.272 17842 823 1 2 . 1 1 12 12 THR CA C 13 61.872 61.872 60.534 1.338 17842 824 1 2 . 1 1 12 12 THR CB C 13 69.374 69.374 69.486 -0.112 17842 825 1 2 . 1 1 12 12 THR H H 13 8.722 8.722 8.448 0.274 17842 826 1 2 . 1 1 13 13 SER N N 14 122.220 122.220 121.433 0.787 17842 827 1 2 . 1 1 13 13 SER C C 14 173.577 173.577 174.937 -1.360 17842 828 1 2 . 1 1 13 13 SER CA C 14 56.934 56.934 57.708 -0.774 17842 829 1 2 . 1 1 13 13 SER CB C 14 64.249 64.249 64.927 -0.678 17842 830 1 2 . 1 1 13 13 SER H H 14 9.225 9.225 8.492 0.733 17842 831 1 2 . 1 1 14 14 ASN N N 15 125.159 125.159 123.191 1.968 17842 832 1 2 . 1 1 14 14 ASN C C 15 174.673 174.673 175.763 -1.090 17842 833 1 2 . 1 1 14 14 ASN CA C 15 51.888 51.888 54.751 -2.863 17842 834 1 2 . 1 1 14 14 ASN CB C 15 39.777 39.777 38.587 1.190 17842 835 1 2 . 1 1 14 14 ASN H H 15 8.745 8.745 8.767 -0.022 17842 836 1 2 . 1 1 15 15 ASN N N 16 120.330 120.330 119.112 1.218 17842 837 1 2 . 1 1 15 15 ASN C C 16 175.886 175.886 174.556 1.330 17842 838 1 2 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.225 -0.445 17842 839 1 2 . 1 1 15 15 ASN CB C 16 38.595 38.595 39.640 -1.045 17842 840 1 2 . 1 1 15 15 ASN H H 16 8.494 8.494 8.197 0.297 17842 841 1 2 . 1 1 20 20 LYS C C 21 176.705 176.705 176.860 -0.155 17842 842 1 2 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.663 0.020 17842 843 1 2 . 1 1 21 21 SER N N 22 115.966 115.966 114.404 1.562 17842 844 1 2 . 1 1 21 21 SER C C 22 174.564 174.564 175.071 -0.507 17842 845 1 2 . 1 1 21 21 SER CA C 22 58.149 58.149 57.725 0.424 17842 846 1 2 . 1 1 21 21 SER CB C 22 63.308 63.308 64.366 -1.058 17842 847 1 2 . 1 1 21 21 SER H H 22 8.053 8.053 7.914 0.139 17842 848 1 2 . 1 1 22 22 LEU N N 23 123.751 123.751 122.794 0.957 17842 849 1 2 . 1 1 22 22 LEU C C 23 176.968 176.968 177.208 -0.240 17842 850 1 2 . 1 1 22 22 LEU CA C 23 55.269 55.269 56.022 -0.752 17842 851 1 2 . 1 1 22 22 LEU CB C 23 42.334 42.334 42.357 -0.023 17842 852 1 2 . 1 1 22 22 LEU H H 23 8.006 8.006 8.613 -0.607 17842 853 1 2 . 1 1 23 23 ASN N N 24 118.937 118.937 117.069 1.868 17842 854 1 2 . 1 1 23 23 ASN C C 24 175.119 175.119 174.350 0.769 17842 855 1 2 . 1 1 23 23 ASN CA C 24 52.993 52.993 53.606 -0.613 17842 856 1 2 . 1 1 23 23 ASN CB C 24 38.255 38.255 39.377 -1.122 17842 857 1 2 . 1 1 23 23 ASN H H 24 8.136 8.136 8.362 -0.226 17842 858 1 2 . 1 1 24 24 ARG N N 25 121.500 121.500 119.002 2.498 17842 859 1 2 . 1 1 24 24 ARG C C 25 175.849 175.849 175.350 0.499 17842 860 1 2 . 1 1 24 24 ARG CA C 25 56.368 56.368 55.070 1.298 17842 861 1 2 . 1 1 24 24 ARG CB C 25 30.366 30.366 32.166 -1.800 17842 862 1 2 . 1 1 24 24 ARG H H 25 8.097 8.097 8.254 -0.157 17842 863 1 2 . 1 1 25 25 ASN N N 26 119.196 119.196 118.562 0.634 17842 864 1 2 . 1 1 25 25 ASN C C 26 175.122 175.122 173.794 1.328 17842 865 1 2 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.891 -0.829 17842 866 1 2 . 1 1 25 25 ASN CB C 26 38.291 38.291 37.736 0.555 17842 867 1 2 . 1 1 25 25 ASN H H 26 8.278 8.278 8.886 -0.608 17842 868 1 2 . 1 1 26 26 LEU N N 27 122.352 122.352 123.273 -0.921 17842 869 1 2 . 1 1 26 26 LEU C C 27 176.903 176.903 176.841 0.062 17842 870 1 2 . 1 1 26 26 LEU CA C 27 55.326 55.326 56.865 -1.540 17842 871 1 2 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.677 -0.491 17842 872 1 2 . 1 1 26 26 LEU H H 27 7.992 7.992 8.576 -0.584 17842 873 1 2 . 1 1 27 27 ASN N N 28 118.444 118.444 116.201 2.243 17842 874 1 2 . 1 1 27 27 ASN C C 28 174.754 174.754 175.604 -0.850 17842 875 1 2 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.403 -0.443 17842 876 1 2 . 1 1 27 27 ASN CB C 28 38.419 38.419 38.959 -0.540 17842 877 1 2 . 1 1 27 27 ASN H H 28 8.216 8.216 8.159 0.057 17842 878 1 2 . 1 1 28 28 SER N N 29 116.471 116.471 117.457 -0.986 17842 879 1 2 . 1 1 28 28 SER C C 29 172.778 172.778 172.829 -0.051 17842 880 1 2 . 1 1 28 28 SER CA C 29 55.982 55.982 56.773 -0.791 17842 881 1 2 . 1 1 28 28 SER CB C 29 63.179 63.179 63.330 -0.151 17842 882 1 2 . 1 1 28 28 SER H H 29 7.833 7.833 8.048 -0.215 17842 883 1 2 . 1 1 29 29 PRO C C 30 176.535 176.535 176.164 0.371 17842 884 1 2 . 1 1 29 29 PRO CA C 30 63.458 63.458 62.574 0.884 17842 885 1 2 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.544 -0.872 17842 886 1 2 . 1 1 30 30 ASN N N 31 118.189 118.189 116.361 1.828 17842 887 1 2 . 1 1 30 30 ASN C C 31 175.075 175.075 174.692 0.383 17842 888 1 2 . 1 1 30 30 ASN CA C 31 53.051 53.051 53.163 -0.112 17842 889 1 2 . 1 1 30 30 ASN CB C 31 38.277 38.277 38.871 -0.594 17842 890 1 2 . 1 1 30 30 ASN H H 31 8.231 8.231 8.472 -0.241 17842 891 1 2 . 1 1 31 31 LEU N N 32 122.838 122.838 120.198 2.640 17842 892 1 2 . 1 1 31 31 LEU C C 32 176.800 176.800 175.222 1.578 17842 893 1 2 . 1 1 31 31 LEU CA C 32 55.107 55.107 55.595 -0.488 17842 894 1 2 . 1 1 31 31 LEU CB C 32 42.291 42.291 44.214 -1.923 17842 895 1 2 . 1 1 31 31 LEU H H 32 8.011 8.011 7.466 0.545 17842 896 1 2 . 1 1 32 32 ASP N N 33 120.740 120.740 121.005 -0.265 17842 897 1 2 . 1 1 32 32 ASP C C 33 175.863 175.863 176.041 -0.178 17842 898 1 2 . 1 1 32 32 ASP CA C 33 54.331 54.331 55.344 -1.013 17842 899 1 2 . 1 1 32 32 ASP CB C 33 40.758 40.758 40.320 0.438 17842 900 1 2 . 1 1 32 32 ASP H H 33 8.151 8.151 8.757 -0.606 17842 901 1 2 . 1 1 33 33 LYS N N 34 120.746 120.746 120.988 -0.242 17842 902 1 2 . 1 1 33 33 LYS C C 34 175.912 175.912 177.346 -1.434 17842 903 1 2 . 1 1 33 33 LYS CA C 34 55.865 55.865 58.097 -2.232 17842 904 1 2 . 1 1 33 33 LYS CB C 34 32.738 32.738 33.011 -0.273 17842 905 1 2 . 1 1 33 33 LYS H H 34 7.933 7.933 8.474 -0.541 17842 906 1 2 . 1 1 34 34 VAL N N 35 121.590 121.590 113.957 7.633 17842 907 1 2 . 1 1 34 34 VAL C C 35 175.691 175.691 175.515 0.176 17842 908 1 2 . 1 1 34 34 VAL CA C 35 62.186 62.186 62.045 0.141 17842 909 1 2 . 1 1 34 34 VAL CB C 35 32.591 32.591 32.798 -0.207 17842 910 1 2 . 1 1 34 34 VAL H H 35 7.995 7.995 7.866 0.129 17842 911 1 2 . 1 1 35 35 ILE N N 36 124.025 124.025 116.093 7.932 17842 912 1 2 . 1 1 35 35 ILE C C 36 175.266 175.266 173.683 1.583 17842 913 1 2 . 1 1 35 35 ILE CA C 36 60.495 60.495 60.492 0.003 17842 914 1 2 . 1 1 35 35 ILE CB C 36 38.489 38.489 39.488 -0.999 17842 915 1 2 . 1 1 35 35 ILE H H 36 8.034 8.034 7.438 0.596 17842 916 1 2 . 1 1 36 36 ASP N N 37 125.860 125.860 121.555 4.305 17842 917 1 2 . 1 1 36 36 ASP C C 37 175.014 175.014 174.538 0.476 17842 918 1 2 . 1 1 36 36 ASP CA C 37 53.719 53.719 53.922 -0.203 17842 919 1 2 . 1 1 36 36 ASP CB C 37 41.755 41.755 41.877 -0.122 17842 920 1 2 . 1 1 36 36 ASP H H 37 8.190 8.190 8.400 -0.210 17842 921 1 2 . 1 1 37 37 ASN N N 38 120.770 120.770 121.664 -0.894 17842 922 1 2 . 1 1 37 37 ASN C C 38 174.821 174.821 174.817 0.004 17842 923 1 2 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.738 -0.581 17842 924 1 2 . 1 1 37 37 ASN CB C 38 38.663 38.663 40.827 -2.164 17842 925 1 2 . 1 1 37 37 ASN H H 38 8.334 8.334 8.551 -0.217 17842 926 1 2 . 1 1 38 38 THR N N 39 115.976 115.976 116.351 -0.375 17842 927 1 2 . 1 1 38 38 THR C C 39 175.226 175.226 175.191 0.035 17842 928 1 2 . 1 1 38 38 THR CA C 39 62.215 62.215 61.402 0.813 17842 929 1 2 . 1 1 38 38 THR CB C 39 69.618 69.618 70.108 -0.490 17842 930 1 2 . 1 1 38 38 THR H H 39 8.508 8.508 8.762 -0.254 17842 931 1 2 . 1 1 39 39 GLY N N 40 115.818 115.818 111.513 4.305 17842 932 1 2 . 1 1 39 39 GLY C C 40 172.862 172.862 173.107 -0.245 17842 933 1 2 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.439 0.729 17842 934 1 2 . 1 1 39 39 GLY H H 40 8.819 8.819 8.311 0.508 17842 935 1 2 . 1 1 40 40 THR N N 41 119.787 119.787 114.889 4.898 17842 936 1 2 . 1 1 40 40 THR C C 41 172.914 172.914 173.131 -0.217 17842 937 1 2 . 1 1 40 40 THR CA C 41 61.321 61.321 61.772 -0.451 17842 938 1 2 . 1 1 40 40 THR CB C 41 71.499 71.499 70.803 0.696 17842 939 1 2 . 1 1 40 40 THR H H 41 8.117 8.117 8.459 -0.342 17842 940 1 2 . 1 1 41 41 TRP N N 42 128.090 128.090 129.746 -1.656 17842 941 1 2 . 1 1 41 41 TRP C C 42 174.627 174.627 174.925 -0.298 17842 942 1 2 . 1 1 41 41 TRP CA C 42 55.122 55.122 55.868 -0.746 17842 943 1 2 . 1 1 41 41 TRP CB C 42 31.905 31.905 32.952 -1.047 17842 944 1 2 . 1 1 41 41 TRP H H 42 8.178 8.178 8.765 -0.587 17842 945 1 2 . 1 1 42 42 GLY N N 43 109.883 109.883 111.623 -1.740 17842 946 1 2 . 1 1 42 42 GLY C C 43 172.317 172.317 171.795 0.522 17842 947 1 2 . 1 1 42 42 GLY CA C 43 44.176 44.176 45.078 -0.902 17842 948 1 2 . 1 1 42 42 GLY H H 43 8.892 8.892 8.400 0.492 17842 949 1 2 . 1 1 43 43 ILE N N 44 118.005 118.005 119.132 -1.127 17842 950 1 2 . 1 1 43 43 ILE C C 44 173.071 173.071 174.346 -1.275 17842 951 1 2 . 1 1 43 43 ILE CA C 44 58.606 58.606 60.197 -1.591 17842 952 1 2 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.476 0.654 17842 953 1 2 . 1 1 43 43 ILE H H 44 8.879 8.879 7.666 1.213 17842 954 1 2 . 1 1 44 44 ARG N N 45 120.855 120.855 121.194 -0.339 17842 955 1 2 . 1 1 44 44 ARG C C 45 174.942 174.942 174.643 0.299 17842 956 1 2 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.110 -1.221 17842 957 1 2 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.565 -0.613 17842 958 1 2 . 1 1 44 44 ARG H H 45 8.708 8.708 9.060 -0.352 17842 959 1 2 . 1 1 45 45 ALA N N 46 119.127 119.127 127.191 -8.064 17842 960 1 2 . 1 1 45 45 ALA C C 46 175.693 175.693 175.349 0.344 17842 961 1 2 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.262 -1.642 17842 962 1 2 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.654 0.129 17842 963 1 2 . 1 1 45 45 ALA H H 46 8.419 8.419 8.324 0.095 17842 964 1 2 . 1 1 46 46 GLY N N 47 107.350 107.350 110.148 -2.798 17842 965 1 2 . 1 1 46 46 GLY C C 47 171.353 171.353 172.446 -1.093 17842 966 1 2 . 1 1 46 46 GLY CA C 47 45.630 45.630 46.317 -0.687 17842 967 1 2 . 1 1 46 46 GLY H H 47 7.819 7.819 9.343 -1.524 17842 968 1 2 . 1 1 47 47 GLN N N 48 118.061 118.061 119.506 -1.445 17842 969 1 2 . 1 1 47 47 GLN C C 48 173.671 173.671 173.596 0.075 17842 970 1 2 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.453 -0.088 17842 971 1 2 . 1 1 47 47 GLN CB C 48 32.912 32.912 34.066 -1.154 17842 972 1 2 . 1 1 47 47 GLN H H 48 8.483 8.483 8.302 0.181 17842 973 1 2 . 1 1 48 48 GLN N N 49 122.691 122.691 121.321 1.370 17842 974 1 2 . 1 1 48 48 GLN C C 49 173.291 173.291 173.854 -0.563 17842 975 1 2 . 1 1 48 48 GLN CA C 49 54.593 54.593 55.047 -0.454 17842 976 1 2 . 1 1 48 48 GLN CB C 49 30.750 30.750 31.488 -0.738 17842 977 1 2 . 1 1 48 48 GLN H H 49 9.319 9.319 8.906 0.413 17842 978 1 2 . 1 1 49 49 PHE N N 50 126.379 126.379 127.443 -1.064 17842 979 1 2 . 1 1 49 49 PHE C C 50 175.918 175.918 175.946 -0.028 17842 980 1 2 . 1 1 49 49 PHE CA C 50 55.013 55.013 56.578 -1.565 17842 981 1 2 . 1 1 49 49 PHE CB C 50 39.974 39.974 41.614 -1.640 17842 982 1 2 . 1 1 49 49 PHE H H 50 8.781 8.781 9.092 -0.311 17842 983 1 2 . 1 1 50 50 GLU N N 51 121.087 121.087 124.104 -3.017 17842 984 1 2 . 1 1 50 50 GLU C C 51 178.452 178.452 176.978 1.474 17842 985 1 2 . 1 1 50 50 GLU CA C 51 60.435 60.435 59.804 0.631 17842 986 1 2 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.614 -0.928 17842 987 1 2 . 1 1 50 50 GLU H H 51 8.975 8.975 9.076 -0.101 17842 988 1 2 . 1 1 51 51 GLN N N 52 111.198 111.198 116.466 -5.268 17842 989 1 2 . 1 1 51 51 GLN C C 52 176.031 176.031 175.163 0.868 17842 990 1 2 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.310 0.525 17842 991 1 2 . 1 1 51 51 GLN CB C 52 28.617 28.617 29.525 -0.908 17842 992 1 2 . 1 1 51 51 GLN H H 52 7.955 7.955 8.269 -0.314 17842 993 1 2 . 1 1 52 52 GLY N N 53 110.800 110.800 108.012 2.788 17842 994 1 2 . 1 1 52 52 GLY C C 53 169.076 169.076 171.627 -2.551 17842 995 1 2 . 1 1 52 52 GLY CA C 53 45.303 45.303 45.914 -0.611 17842 996 1 2 . 1 1 52 52 GLY H H 53 6.696 6.696 7.995 -1.299 17842 997 1 2 . 1 1 53 53 ARG N N 54 111.857 111.857 124.733 -12.876 17842 998 1 2 . 1 1 53 53 ARG C C 54 172.397 172.397 174.179 -1.782 17842 999 1 2 . 1 1 53 53 ARG CA C 54 54.227 54.227 54.322 -0.095 17842 1000 1 2 . 1 1 53 53 ARG CB C 54 31.755 31.755 33.097 -1.342 17842 1001 1 2 . 1 1 53 53 ARG H H 54 8.216 8.216 8.876 -0.660 17842 1002 1 2 . 1 1 54 54 TYR N N 55 116.379 116.379 123.126 -6.747 17842 1003 1 2 . 1 1 54 54 TYR C C 55 175.461 175.461 175.595 -0.134 17842 1004 1 2 . 1 1 54 54 TYR CA C 55 55.296 55.296 54.126 1.171 17842 1005 1 2 . 1 1 54 54 TYR CB C 55 41.539 41.539 41.367 0.172 17842 1006 1 2 . 1 1 54 54 TYR H H 55 8.477 8.477 8.939 -0.462 17842 1007 1 2 . 1 1 55 55 TYR N N 56 114.651 114.651 114.768 -0.117 17842 1008 1 2 . 1 1 55 55 TYR C C 56 173.431 173.431 173.003 0.428 17842 1009 1 2 . 1 1 55 55 TYR CA C 56 55.886 55.886 57.319 -1.433 17842 1010 1 2 . 1 1 55 55 TYR CB C 56 37.595 37.595 38.970 -1.375 17842 1011 1 2 . 1 1 55 55 TYR H H 56 8.221 8.221 8.314 -0.093 17842 1012 1 2 . 1 1 56 56 ALA N N 57 125.460 125.460 126.082 -0.622 17842 1013 1 2 . 1 1 56 56 ALA C C 57 175.737 175.737 176.598 -0.861 17842 1014 1 2 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.324 -1.176 17842 1015 1 2 . 1 1 56 56 ALA CB C 57 20.777 20.777 21.149 -0.372 17842 1016 1 2 . 1 1 56 56 ALA H H 57 9.034 9.034 8.395 0.639 17842 1017 1 2 . 1 1 57 57 THR N N 58 116.923 116.923 117.059 -0.136 17842 1018 1 2 . 1 1 57 57 THR C C 58 173.462 173.462 173.684 -0.222 17842 1019 1 2 . 1 1 57 57 THR CA C 58 61.458 61.458 60.919 0.539 17842 1020 1 2 . 1 1 57 57 THR CB C 58 71.683 71.683 70.727 0.956 17842 1021 1 2 . 1 1 57 57 THR H H 58 8.907 8.907 8.584 0.323 17842 1022 1 2 . 1 1 58 58 TYR N N 59 126.784 126.784 127.489 -0.705 17842 1023 1 2 . 1 1 58 58 TYR C C 59 173.954 173.954 175.443 -1.489 17842 1024 1 2 . 1 1 58 58 TYR CA C 59 55.682 55.682 58.132 -2.450 17842 1025 1 2 . 1 1 58 58 TYR CB C 59 41.320 41.320 38.715 2.605 17842 1026 1 2 . 1 1 58 58 TYR H H 59 8.974 8.974 8.316 0.658 17842 1027 1 2 . 1 1 59 59 GLU N N 60 124.211 124.211 122.755 1.456 17842 1028 1 2 . 1 1 59 59 GLU C C 60 173.989 173.989 175.826 -1.837 17842 1029 1 2 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.600 -1.676 17842 1030 1 2 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.054 0.688 17842 1031 1 2 . 1 1 59 59 GLU H H 60 8.049 8.049 8.633 -0.584 17842 1032 1 2 . 1 1 60 60 ASN N N 61 118.358 118.358 117.630 0.728 17842 1033 1 2 . 1 1 60 60 ASN C C 61 173.609 173.609 173.542 0.067 17842 1034 1 2 . 1 1 60 60 ASN CA C 61 52.281 52.281 52.483 -0.202 17842 1035 1 2 . 1 1 60 60 ASN H H 61 8.155 8.155 8.590 -0.435 17842 1036 1 2 . 1 1 61 61 ILE C C 62 174.902 174.902 174.797 0.105 17842 1037 1 2 . 1 1 61 61 ILE CA C 62 60.980 60.980 61.205 -0.224 17842 1038 1 2 . 1 1 61 61 ILE CB C 62 40.772 40.772 38.633 2.139 17842 1039 1 2 . 1 1 62 62 SER N N 63 121.368 121.368 122.567 -1.199 17842 1040 1 2 . 1 1 62 62 SER C C 63 173.027 173.027 173.577 -0.550 17842 1041 1 2 . 1 1 62 62 SER CA C 63 57.295 57.295 58.058 -0.763 17842 1042 1 2 . 1 1 62 62 SER CB C 63 64.306 64.306 64.657 -0.351 17842 1043 1 2 . 1 1 62 62 SER H H 63 8.339 8.339 8.633 -0.294 17842 1044 1 2 . 1 1 63 63 ASP N N 64 124.300 124.300 124.405 -0.105 17842 1045 1 2 . 1 1 63 63 ASP C C 64 176.570 176.570 175.587 0.983 17842 1046 1 2 . 1 1 63 63 ASP CA C 64 53.291 53.291 54.342 -1.051 17842 1047 1 2 . 1 1 63 63 ASP CB C 64 42.484 42.484 42.397 0.087 17842 1048 1 2 . 1 1 63 63 ASP H H 64 8.596 8.596 8.621 -0.025 17842 1049 1 2 . 1 1 64 64 THR N N 65 116.756 116.756 117.964 -1.208 17842 1050 1 2 . 1 1 64 64 THR C C 65 175.975 175.975 175.055 0.920 17842 1051 1 2 . 1 1 64 64 THR CA C 65 61.608 61.608 63.623 -2.015 17842 1052 1 2 . 1 1 64 64 THR CB C 65 68.856 68.856 69.143 -0.287 17842 1053 1 2 . 1 1 64 64 THR H H 65 8.581 8.581 8.172 0.409 17842 1054 1 2 . 1 1 65 65 SER N N 66 119.276 119.276 121.491 -2.215 17842 1055 1 2 . 1 1 65 65 SER CA C 66 59.728 59.728 60.329 -0.601 17842 1056 1 2 . 1 1 65 65 SER CB C 66 63.514 63.514 63.233 0.281 17842 1057 1 2 . 1 1 65 65 SER H H 66 8.492 8.492 8.817 -0.325 17842 1058 1 2 . 1 1 66 66 SER C C 67 175.122 175.122 174.886 0.236 17842 1059 1 2 . 1 1 66 66 SER CA C 67 58.554 58.554 59.236 -0.681 17842 1060 1 2 . 1 1 67 67 GLY N N 68 110.266 110.266 110.932 -0.666 17842 1061 1 2 . 1 1 67 67 GLY C C 68 173.832 173.832 173.108 0.724 17842 1062 1 2 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.800 0.407 17842 1063 1 2 . 1 1 67 67 GLY H H 68 8.184 8.184 8.045 0.139 17842 1064 1 2 . 1 1 68 68 ASN N N 69 118.584 118.584 119.254 -0.670 17842 1065 1 2 . 1 1 68 68 ASN C C 69 174.239 174.239 174.430 -0.191 17842 1066 1 2 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.651 0.079 17842 1067 1 2 . 1 1 68 68 ASN CB C 69 38.938 38.938 40.929 -1.991 17842 1068 1 2 . 1 1 68 68 ASN H H 69 7.972 7.972 8.413 -0.441 17842 1069 1 2 . 1 1 72 72 GLN C C 73 173.610 173.610 174.425 -0.815 17842 1070 1 2 . 1 1 72 72 GLN CA C 73 53.449 53.449 55.427 -1.978 17842 1071 1 2 . 1 1 73 73 GLN N N 74 123.659 123.659 119.537 4.122 17842 1072 1 2 . 1 1 73 73 GLN C C 74 173.276 173.276 173.493 -0.217 17842 1073 1 2 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.789 -1.245 17842 1074 1 2 . 1 1 73 73 GLN CB C 74 34.344 34.344 32.204 2.140 17842 1075 1 2 . 1 1 73 73 GLN H H 74 8.697 8.697 8.418 0.279 17842 1076 1 2 . 1 1 74 74 ASN N N 75 118.720 118.720 122.640 -3.920 17842 1077 1 2 . 1 1 74 74 ASN C C 75 173.733 173.733 173.437 0.296 17842 1078 1 2 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.475 -2.206 17842 1079 1 2 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.614 -1.544 17842 1080 1 2 . 1 1 74 74 ASN H H 75 8.295 8.295 8.295 -0.000 17842 1081 1 2 . 1 1 75 75 LEU N N 76 124.353 124.353 127.203 -2.850 17842 1082 1 2 . 1 1 75 75 LEU C C 76 174.267 174.267 174.678 -0.411 17842 1083 1 2 . 1 1 75 75 LEU CA C 76 53.916 53.916 54.102 -0.186 17842 1084 1 2 . 1 1 75 75 LEU CB C 76 44.633 44.633 42.845 1.788 17842 1085 1 2 . 1 1 75 75 LEU H H 76 8.847 8.847 8.119 0.728 17842 1086 1 2 . 1 1 76 76 LEU N N 77 124.437 124.437 123.853 0.584 17842 1087 1 2 . 1 1 76 76 LEU C C 77 175.188 175.188 175.400 -0.212 17842 1088 1 2 . 1 1 76 76 LEU CA C 77 52.934 52.934 53.630 -0.696 17842 1089 1 2 . 1 1 76 76 LEU CB C 77 45.115 45.115 46.077 -0.962 17842 1090 1 2 . 1 1 76 76 LEU H H 77 9.222 9.222 7.853 1.369 17842 1091 1 2 . 1 1 77 77 GLY N N 78 107.288 107.288 110.152 -2.864 17842 1092 1 2 . 1 1 77 77 GLY C C 78 171.733 171.733 173.184 -1.451 17842 1093 1 2 . 1 1 77 77 GLY CA C 78 44.160 44.160 44.173 -0.013 17842 1094 1 2 . 1 1 77 77 GLY H H 78 9.132 9.132 8.998 0.134 17842 1095 1 2 . 1 1 78 78 SER N N 79 117.437 117.437 121.514 -4.077 17842 1096 1 2 . 1 1 78 78 SER C C 79 171.279 171.279 172.694 -1.415 17842 1097 1 2 . 1 1 78 78 SER CA C 79 57.272 57.272 58.144 -0.872 17842 1098 1 2 . 1 1 78 78 SER CB C 79 65.596 65.596 63.813 1.783 17842 1099 1 2 . 1 1 78 78 SER H H 79 8.210 8.210 8.337 -0.127 17842 1100 1 2 . 1 1 79 79 TYR N N 80 122.901 122.901 126.691 -3.790 17842 1101 1 2 . 1 1 79 79 TYR C C 80 173.757 173.757 174.230 -0.473 17842 1102 1 2 . 1 1 79 79 TYR CA C 80 56.243 56.243 56.115 0.128 17842 1103 1 2 . 1 1 79 79 TYR CB C 80 42.570 42.570 40.719 1.851 17842 1104 1 2 . 1 1 79 79 TYR H H 80 8.092 8.092 9.304 -1.212 17842 1105 1 2 . 1 1 80 80 ASP N N 81 122.808 122.808 121.275 1.533 17842 1106 1 2 . 1 1 80 80 ASP C C 81 173.607 173.607 173.788 -0.181 17842 1107 1 2 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.702 -0.037 17842 1108 1 2 . 1 1 80 80 ASP CB C 81 45.787 45.787 44.514 1.273 17842 1109 1 2 . 1 1 80 80 ASP H H 81 8.268 8.268 9.112 -0.844 17842 1110 1 2 . 1 1 81 81 ALA N N 82 121.201 121.201 121.245 -0.044 17842 1111 1 2 . 1 1 81 81 ALA C C 82 177.094 177.094 176.598 0.496 17842 1112 1 2 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.673 -0.928 17842 1113 1 2 . 1 1 81 81 ALA CB C 82 21.511 21.511 21.308 0.203 17842 1114 1 2 . 1 1 81 81 ALA H H 82 8.931 8.931 8.154 0.777 17842 1115 1 2 . 1 1 82 82 PHE N N 83 116.305 116.305 121.667 -5.362 17842 1116 1 2 . 1 1 82 82 PHE C C 83 176.299 176.299 174.028 2.271 17842 1117 1 2 . 1 1 82 82 PHE CA C 83 52.664 52.664 54.749 -2.085 17842 1118 1 2 . 1 1 82 82 PHE CB C 83 42.121 42.121 40.884 1.237 17842 1119 1 2 . 1 1 82 82 PHE H H 83 7.404 7.404 8.727 -1.323 17842 1120 1 2 . 1 1 83 83 LEU N N 84 122.208 122.208 119.658 2.550 17842 1121 1 2 . 1 1 83 83 LEU C C 84 173.599 173.599 174.524 -0.925 17842 1122 1 2 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.089 -0.215 17842 1123 1 2 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.061 -0.695 17842 1124 1 2 . 1 1 83 83 LEU H H 84 9.049 9.049 8.218 0.831 17842 1125 1 2 . 1 1 84 84 PRO C C 85 175.877 175.877 176.150 -0.273 17842 1126 1 2 . 1 1 84 84 PRO CA C 85 63.041 63.041 62.744 0.297 17842 1127 1 2 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.052 0.434 17842 1128 1 2 . 1 1 85 85 ILE N N 86 119.588 119.588 126.359 -6.771 17842 1129 1 2 . 1 1 85 85 ILE C C 86 175.749 175.749 176.422 -0.673 17842 1130 1 2 . 1 1 85 85 ILE CA C 86 59.267 59.267 60.516 -1.249 17842 1131 1 2 . 1 1 85 85 ILE CB C 86 39.835 39.835 37.392 2.443 17842 1132 1 2 . 1 1 85 85 ILE H H 86 8.205 8.205 8.480 -0.275 17842 1133 1 2 . 1 1 86 86 GLY N N 87 112.396 112.396 115.845 -3.449 17842 1134 1 2 . 1 1 86 86 GLY C C 87 174.218 174.218 173.623 0.595 17842 1135 1 2 . 1 1 86 86 GLY CA C 87 45.692 45.692 46.130 -0.438 17842 1136 1 2 . 1 1 86 86 GLY H H 87 8.364 8.364 8.890 -0.526 17842 1137 1 2 . 1 1 87 87 ASP N N 88 122.109 122.109 123.254 -1.145 17842 1138 1 2 . 1 1 87 87 ASP C C 88 175.839 175.839 176.362 -0.523 17842 1139 1 2 . 1 1 87 87 ASP CA C 88 53.535 53.535 55.216 -1.681 17842 1140 1 2 . 1 1 87 87 ASP CB C 88 41.132 41.132 42.803 -1.671 17842 1141 1 2 . 1 1 87 87 ASP H H 88 8.249 8.249 8.549 -0.300 17842 1142 1 2 . 1 1 88 88 ASN N N 89 116.308 116.308 117.872 -1.564 17842 1143 1 2 . 1 1 88 88 ASN C C 89 175.100 175.100 174.308 0.792 17842 1144 1 2 . 1 1 88 88 ASN CA C 89 53.922 53.922 52.661 1.261 17842 1145 1 2 . 1 1 88 88 ASN CB C 89 38.183 38.183 39.550 -1.367 17842 1146 1 2 . 1 1 88 88 ASN H H 89 8.449 8.449 7.744 0.705 17842 1147 1 2 . 1 1 89 89 ASN N N 90 115.987 115.987 115.072 0.915 17842 1148 1 2 . 1 1 89 89 ASN C C 90 173.909 173.909 174.774 -0.865 17842 1149 1 2 . 1 1 89 89 ASN CA C 90 54.386 54.386 54.845 -0.459 17842 1150 1 2 . 1 1 89 89 ASN CB C 90 37.657 37.657 37.787 -0.130 17842 1151 1 2 . 1 1 89 89 ASN H H 90 8.477 8.477 8.483 -0.006 17842 1152 1 2 . 1 1 90 90 THR N N 91 116.991 116.991 114.985 2.006 17842 1153 1 2 . 1 1 90 90 THR C C 91 173.763 173.763 172.877 0.886 17842 1154 1 2 . 1 1 90 90 THR CA C 91 62.170 62.170 62.737 -0.567 17842 1155 1 2 . 1 1 90 90 THR CB C 91 68.706 68.706 70.119 -1.413 17842 1156 1 2 . 1 1 90 90 THR H H 91 7.600 7.600 7.490 0.110 17842 1157 1 2 . 1 1 91 91 LYS N N 92 124.349 124.349 126.646 -2.297 17842 1158 1 2 . 1 1 91 91 LYS C C 92 175.815 175.815 176.649 -0.834 17842 1159 1 2 . 1 1 91 91 LYS CA C 92 54.406 54.406 54.857 -0.451 17842 1160 1 2 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.651 0.847 17842 1161 1 2 . 1 1 91 91 LYS H H 92 9.249 9.249 8.515 0.734 17842 1162 1 2 . 1 1 92 92 LEU N N 93 123.462 123.462 128.966 -5.504 17842 1163 1 2 . 1 1 92 92 LEU C C 93 176.260 176.260 175.817 0.443 17842 1164 1 2 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.408 -1.579 17842 1165 1 2 . 1 1 92 92 LEU CB C 93 43.614 43.614 42.070 1.544 17842 1166 1 2 . 1 1 92 92 LEU H H 93 8.650 8.650 8.084 0.566 17842 1167 1 2 . 1 1 93 93 PHE N N 94 119.497 119.497 122.182 -2.685 17842 1168 1 2 . 1 1 93 93 PHE C C 94 173.154 173.154 175.177 -2.023 17842 1169 1 2 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.519 0.617 17842 1170 1 2 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.188 1.905 17842 1171 1 2 . 1 1 93 93 PHE H H 94 8.485 8.485 7.444 1.041 17842 1172 1 2 . 1 1 94 94 GLY N N 95 105.945 105.945 107.181 -1.236 17842 1173 1 2 . 1 1 94 94 GLY C C 95 171.815 171.815 172.630 -0.815 17842 1174 1 2 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.434 -1.052 17842 1175 1 2 . 1 1 94 94 GLY H H 95 8.256 8.256 8.206 0.050 17842 1176 1 2 . 1 1 95 95 GLY N N 96 110.432 110.432 110.435 -0.003 17842 1177 1 2 . 1 1 95 95 GLY C C 96 171.826 171.826 172.118 -0.292 17842 1178 1 2 . 1 1 95 95 GLY CA C 96 46.886 46.886 46.154 0.732 17842 1179 1 2 . 1 1 95 95 GLY H H 96 9.005 9.005 9.079 -0.074 17842 1180 1 2 . 1 1 96 96 ALA N N 97 117.509 117.509 121.980 -4.471 17842 1181 1 2 . 1 1 96 96 ALA C C 97 176.928 176.928 175.381 1.547 17842 1182 1 2 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.280 -0.879 17842 1183 1 2 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.493 0.932 17842 1184 1 2 . 1 1 96 96 ALA H H 97 8.039 8.039 8.836 -0.797 17842 1185 1 2 . 1 1 97 97 THR N N 98 118.891 118.891 110.253 8.638 17842 1186 1 2 . 1 1 97 97 THR C C 98 172.492 172.492 173.433 -0.941 17842 1187 1 2 . 1 1 97 97 THR CA C 98 61.730 61.730 60.236 1.494 17842 1188 1 2 . 1 1 97 97 THR CB C 98 73.046 73.046 72.124 0.922 17842 1189 1 2 . 1 1 97 97 THR H H 98 8.379 8.379 8.174 0.205 17842 1190 1 2 . 1 1 98 98 LEU N N 99 124.958 124.958 121.873 3.085 17842 1191 1 2 . 1 1 98 98 LEU C C 99 175.753 175.753 175.423 0.330 17842 1192 1 2 . 1 1 98 98 LEU CA C 99 53.474 53.474 55.411 -1.937 17842 1193 1 2 . 1 1 98 98 LEU CB C 99 47.243 47.243 46.535 0.708 17842 1194 1 2 . 1 1 98 98 LEU H H 99 8.880 8.880 8.723 0.157 17842 1195 1 2 . 1 1 99 99 GLY N N 100 106.645 106.645 110.748 -4.103 17842 1196 1 2 . 1 1 99 99 GLY C C 100 169.886 169.886 172.029 -2.143 17842 1197 1 2 . 1 1 99 99 GLY CA C 100 46.631 46.631 44.795 1.836 17842 1198 1 2 . 1 1 99 99 GLY H H 100 8.635 8.635 7.954 0.681 17842 1199 1 2 . 1 1 100 100 LEU N N 101 121.823 121.823 115.309 6.514 17842 1200 1 2 . 1 1 100 100 LEU C C 101 174.876 174.876 174.827 0.049 17842 1201 1 2 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.599 -1.528 17842 1202 1 2 . 1 1 100 100 LEU CB C 101 46.646 46.646 45.301 1.345 17842 1203 1 2 . 1 1 100 100 LEU H H 101 9.088 9.088 8.709 0.379 17842 1204 1 2 . 1 1 101 101 VAL N N 102 118.857 118.857 122.480 -3.623 17842 1205 1 2 . 1 1 101 101 VAL C C 102 174.015 174.015 175.392 -1.377 17842 1206 1 2 . 1 1 101 101 VAL CA C 102 59.666 59.666 61.411 -1.745 17842 1207 1 2 . 1 1 101 101 VAL CB C 102 35.406 35.406 32.797 2.609 17842 1208 1 2 . 1 1 101 101 VAL H H 102 8.291 8.291 8.353 -0.062 17842 1209 1 2 . 1 1 102 102 LYS N N 103 126.552 126.552 127.303 -0.751 17842 1210 1 2 . 1 1 102 102 LYS C C 103 174.712 174.712 174.632 0.080 17842 1211 1 2 . 1 1 102 102 LYS CA C 103 54.433 54.433 54.896 -0.463 17842 1212 1 2 . 1 1 102 102 LYS CB C 103 35.733 35.733 35.953 -0.220 17842 1213 1 2 . 1 1 102 102 LYS H H 103 9.141 9.141 7.957 1.184 17842 1214 1 2 . 1 1 103 103 LEU N N 104 129.605 129.605 122.068 7.537 17842 1215 1 2 . 1 1 103 103 LEU C C 104 175.344 175.344 175.125 0.219 17842 1216 1 2 . 1 1 103 103 LEU CA C 104 53.492 53.492 53.999 -0.507 17842 1217 1 2 . 1 1 103 103 LEU CB C 104 45.004 45.004 44.487 0.517 17842 1218 1 2 . 1 1 103 103 LEU H H 104 8.921 8.921 8.432 0.489 17842 1219 1 2 . 1 1 104 104 GLU C C 105 174.715 174.715 175.219 -0.504 17842 1220 1 2 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.664 -1.038 17842 1221 1 2 . 1 1 104 104 GLU CB C 105 33.055 33.055 33.622 -0.567 17842 1222 1 2 . 1 1 105 105 GLN N N 106 121.991 121.991 119.167 2.824 17842 1223 1 2 . 1 1 105 105 GLN C C 106 175.002 175.002 174.129 0.873 17842 1224 1 2 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.004 -0.325 17842 1225 1 2 . 1 1 105 105 GLN CB C 106 30.252 30.252 31.854 -1.602 17842 1226 1 2 . 1 1 105 105 GLN H H 106 8.532 8.532 8.477 0.055 17842 1227 1 2 . 1 1 106 106 ASP N N 107 123.884 123.884 118.484 5.400 17842 1228 1 2 . 1 1 106 106 ASP C C 107 176.352 176.352 175.085 1.267 17842 1229 1 2 . 1 1 106 106 ASP CA C 107 54.108 54.108 53.553 0.555 17842 1230 1 2 . 1 1 106 106 ASP CB C 107 41.448 41.448 42.319 -0.871 17842 1231 1 2 . 1 1 106 106 ASP H H 107 8.414 8.414 8.421 -0.007 17842 1232 1 2 . 1 1 107 107 GLY N N 108 110.294 110.294 107.877 2.417 17842 1233 1 2 . 1 1 107 107 GLY C C 108 174.111 174.111 173.800 0.311 17842 1234 1 2 . 1 1 107 107 GLY CA C 108 44.992 44.992 44.632 0.360 17842 1235 1 2 . 1 1 107 107 GLY H H 108 8.226 8.226 7.889 0.337 17842 1236 1 2 . 1 1 108 108 LYS N N 109 121.045 121.045 123.044 -1.999 17842 1237 1 2 . 1 1 108 108 LYS C C 109 176.988 176.988 177.144 -0.156 17842 1238 1 2 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.965 -0.722 17842 1239 1 2 . 1 1 108 108 LYS CB C 109 31.957 31.957 31.937 0.020 17842 1240 1 2 . 1 1 108 108 LYS H H 109 8.130 8.130 8.526 -0.396 17842 1241 1 2 . 1 1 109 109 GLY N N 110 109.975 109.975 113.151 -3.176 17842 1242 1 2 . 1 1 109 109 GLY C C 110 173.856 173.856 173.617 0.239 17842 1243 1 2 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.322 0.647 17842 1244 1 2 . 1 1 109 109 GLY H H 110 8.313 8.313 8.284 0.029 17842 1245 1 2 . 1 1 110 110 PHE N N 111 119.873 119.873 121.517 -1.644 17842 1246 1 2 . 1 1 110 110 PHE C C 111 175.195 175.195 175.937 -0.742 17842 1247 1 2 . 1 1 110 110 PHE CA C 111 57.334 57.334 58.432 -1.098 17842 1248 1 2 . 1 1 110 110 PHE CB C 111 39.311 39.311 40.027 -0.716 17842 1249 1 2 . 1 1 110 110 PHE H H 111 7.848 7.848 8.297 -0.449 17842 1250 1 2 . 1 1 111 111 LYS N N 112 122.900 122.900 127.309 -4.409 17842 1251 1 2 . 1 1 111 111 LYS C C 112 175.898 175.898 175.392 0.506 17842 1252 1 2 . 1 1 111 111 LYS CA C 112 55.928 55.928 55.483 0.445 17842 1253 1 2 . 1 1 111 111 LYS CB C 112 32.741 32.741 34.917 -2.176 17842 1254 1 2 . 1 1 111 111 LYS H H 112 8.073 8.073 8.450 -0.377 17842 1255 1 2 . 1 1 112 112 ARG N N 113 123.302 123.302 124.631 -1.329 17842 1256 1 2 . 1 1 112 112 ARG C C 113 175.762 175.762 175.545 0.217 17842 1257 1 2 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.553 -0.676 17842 1258 1 2 . 1 1 112 112 ARG CB C 113 30.678 30.678 29.833 0.845 17842 1259 1 2 . 1 1 112 112 ARG H H 113 8.277 8.277 8.788 -0.511 17842 1260 1 2 . 1 1 113 113 ASP N N 114 122.193 122.193 124.396 -2.203 17842 1261 1 2 . 1 1 113 113 ASP C C 114 175.875 175.875 175.081 0.794 17842 1262 1 2 . 1 1 113 113 ASP CA C 114 54.219 54.219 54.628 -0.409 17842 1263 1 2 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.517 -0.238 17842 1264 1 2 . 1 1 113 113 ASP H H 114 8.300 8.300 8.183 0.117 17842 1265 1 2 . 1 1 114 114 SER N N 115 114.844 114.844 119.003 -4.159 17842 1266 1 2 . 1 1 114 114 SER C C 115 173.567 173.567 172.948 0.619 17842 1267 1 2 . 1 1 114 114 SER CA C 115 57.538 57.538 57.950 -0.412 17842 1268 1 2 . 1 1 114 114 SER CB C 115 64.306 64.306 64.609 -0.303 17842 1269 1 2 . 1 1 114 114 SER H H 115 8.071 8.071 8.229 -0.158 17842 1270 1 2 . 1 1 115 115 ASP N N 116 122.371 122.371 128.167 -5.796 17842 1271 1 2 . 1 1 115 115 ASP C C 116 175.096 175.096 175.324 -0.228 17842 1272 1 2 . 1 1 115 115 ASP CA C 116 53.960 53.960 54.406 -0.446 17842 1273 1 2 . 1 1 115 115 ASP CB C 116 42.394 42.394 42.489 -0.095 17842 1274 1 2 . 1 1 115 115 ASP H H 116 8.400 8.400 8.757 -0.357 17842 1275 1 2 . 1 1 116 116 VAL N N 117 120.462 120.462 119.472 0.990 17842 1276 1 2 . 1 1 116 116 VAL C C 117 175.349 175.349 175.618 -0.269 17842 1277 1 2 . 1 1 116 116 VAL CA C 117 60.785 60.785 61.535 -0.750 17842 1278 1 2 . 1 1 116 116 VAL CB C 117 33.507 33.507 31.840 1.667 17842 1279 1 2 . 1 1 116 116 VAL H H 117 8.014 8.014 8.097 -0.083 17842 1280 1 2 . 1 1 117 117 GLY N N 118 112.807 112.807 114.535 -1.728 17842 1281 1 2 . 1 1 117 117 GLY C C 118 172.079 172.079 172.394 -0.315 17842 1282 1 2 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.080 -0.825 17842 1283 1 2 . 1 1 117 117 GLY H H 118 8.871 8.871 7.876 0.995 17842 1284 1 2 . 1 1 118 118 TYR N N 119 117.704 117.704 120.147 -2.443 17842 1285 1 2 . 1 1 118 118 TYR C C 119 175.024 175.024 174.410 0.614 17842 1286 1 2 . 1 1 118 118 TYR CA C 119 55.968 55.968 56.296 -0.328 17842 1287 1 2 . 1 1 118 118 TYR CB C 119 41.089 41.089 39.671 1.418 17842 1288 1 2 . 1 1 118 118 TYR H H 119 8.406 8.406 8.880 -0.474 17842 1289 1 2 . 1 1 119 119 ALA N N 120 122.050 122.050 126.888 -4.838 17842 1290 1 2 . 1 1 119 119 ALA C C 120 175.218 175.218 175.845 -0.627 17842 1291 1 2 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.919 -0.258 17842 1292 1 2 . 1 1 119 119 ALA CB C 120 23.187 23.187 21.203 1.984 17842 1293 1 2 . 1 1 119 119 ALA H H 120 8.605 8.605 7.921 0.684 17842 1294 1 2 . 1 1 120 120 ALA N N 121 119.839 119.839 123.862 -4.023 17842 1295 1 2 . 1 1 120 120 ALA C C 121 175.881 175.881 175.635 0.246 17842 1296 1 2 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.154 -1.814 17842 1297 1 2 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.746 0.719 17842 1298 1 2 . 1 1 120 120 ALA H H 121 8.476 8.476 7.897 0.579 17842 1299 1 2 . 1 1 121 121 GLY N N 122 107.807 107.807 107.744 0.063 17842 1300 1 2 . 1 1 121 121 GLY C C 122 171.191 171.191 172.154 -0.963 17842 1301 1 2 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.636 0.429 17842 1302 1 2 . 1 1 121 121 GLY H H 122 8.931 8.931 8.258 0.673 17842 1303 1 2 . 1 1 122 122 LEU N N 123 118.400 118.400 119.384 -0.984 17842 1304 1 2 . 1 1 122 122 LEU C C 123 174.684 174.684 175.037 -0.353 17842 1305 1 2 . 1 1 122 122 LEU CA C 123 53.227 53.227 53.706 -0.479 17842 1306 1 2 . 1 1 122 122 LEU CB C 123 48.385 48.385 46.825 1.560 17842 1307 1 2 . 1 1 122 122 LEU H H 123 8.351 8.351 8.078 0.273 17842 1308 1 2 . 1 1 123 123 GLN N N 124 113.455 113.455 116.998 -3.543 17842 1309 1 2 . 1 1 123 123 GLN C C 124 173.895 173.895 173.608 0.287 17842 1310 1 2 . 1 1 123 123 GLN CA C 124 54.004 54.004 55.617 -1.613 17842 1311 1 2 . 1 1 123 123 GLN CB C 124 28.135 28.135 34.146 -6.011 17842 1312 1 2 . 1 1 123 123 GLN H H 124 8.159 8.159 8.226 -0.067 17842 1313 1 2 . 1 1 124 124 ALA N N 125 118.711 118.711 123.060 -4.349 17842 1314 1 2 . 1 1 124 124 ALA C C 125 174.962 174.962 174.003 0.959 17842 1315 1 2 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.156 -1.360 17842 1316 1 2 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.253 0.753 17842 1317 1 2 . 1 1 124 124 ALA H H 125 8.638 8.638 8.317 0.321 17842 1318 1 2 . 1 1 125 125 GLY N N 126 103.783 103.783 106.732 -2.949 17842 1319 1 2 . 1 1 125 125 GLY C C 126 170.390 170.390 171.204 -0.814 17842 1320 1 2 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.142 1.268 17842 1321 1 2 . 1 1 125 125 GLY H H 126 7.103 7.103 6.600 0.503 17842 1322 1 2 . 1 1 126 126 ILE N N 127 118.306 118.306 115.314 2.992 17842 1323 1 2 . 1 1 126 126 ILE C C 127 172.353 172.353 174.097 -1.744 17842 1324 1 2 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.868 -2.275 17842 1325 1 2 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.382 0.782 17842 1326 1 2 . 1 1 126 126 ILE H H 127 8.564 8.564 8.585 -0.021 17842 1327 1 2 . 1 1 127 127 LEU N N 128 129.339 129.339 129.049 0.290 17842 1328 1 2 . 1 1 127 127 LEU C C 128 173.613 173.613 176.113 -2.500 17842 1329 1 2 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.162 -0.634 17842 1330 1 2 . 1 1 127 127 LEU CB C 128 46.804 46.804 42.961 3.843 17842 1331 1 2 . 1 1 127 127 LEU H H 128 9.236 9.236 8.368 0.868 17842 1332 1 2 . 1 1 128 128 GLN N N 129 126.801 126.801 126.007 0.794 17842 1333 1 2 . 1 1 128 128 GLN C C 129 175.093 175.093 174.395 0.698 17842 1334 1 2 . 1 1 128 128 GLN CA C 129 53.194 53.194 55.012 -1.818 17842 1335 1 2 . 1 1 128 128 GLN CB C 129 30.947 30.947 32.545 -1.598 17842 1336 1 2 . 1 1 128 128 GLN H H 129 9.352 9.352 8.404 0.948 17842 1337 1 2 . 1 1 129 129 GLU N N 130 126.822 126.822 121.564 5.258 17842 1338 1 2 . 1 1 129 129 GLU C C 130 176.651 176.651 175.586 1.065 17842 1339 1 2 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.240 0.941 17842 1340 1 2 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.970 -4.209 17842 1341 1 2 . 1 1 129 129 GLU H H 130 8.518 8.518 8.846 -0.328 17842 1342 1 2 . 1 1 130 130 LEU N N 131 126.031 126.031 126.098 -0.067 17842 1343 1 2 . 1 1 130 130 LEU C C 131 176.044 176.044 177.001 -0.957 17842 1344 1 2 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.539 -0.364 17842 1345 1 2 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.825 0.030 17842 1346 1 2 . 1 1 130 130 LEU H H 131 8.708 8.708 8.718 -0.010 17842 1347 1 2 . 1 1 131 131 SER N N 132 113.049 113.049 112.562 0.487 17842 1348 1 2 . 1 1 131 131 SER C C 132 174.092 174.092 173.326 0.766 17842 1349 1 2 . 1 1 131 131 SER CA C 132 55.993 55.993 57.872 -1.879 17842 1350 1 2 . 1 1 131 131 SER CB C 132 64.945 64.945 64.495 0.450 17842 1351 1 2 . 1 1 131 131 SER H H 132 8.282 8.282 7.689 0.593 17842 1352 1 2 . 1 1 132 132 LYS C C 133 176.346 176.346 175.336 1.010 17842 1353 1 2 . 1 1 132 132 LYS CA C 133 58.497 58.497 57.054 1.443 17842 1354 1 2 . 1 1 132 132 LYS CB C 133 31.009 31.009 30.159 0.850 17842 1355 1 2 . 1 1 133 133 ASN N N 134 110.795 110.795 114.753 -3.958 17842 1356 1 2 . 1 1 133 133 ASN C C 134 173.897 173.897 172.568 1.329 17842 1357 1 2 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.953 -0.375 17842 1358 1 2 . 1 1 133 133 ASN CB C 134 40.830 40.830 39.926 0.904 17842 1359 1 2 . 1 1 133 133 ASN H H 134 7.761 7.761 8.113 -0.352 17842 1360 1 2 . 1 1 134 134 ALA N N 135 122.181 122.181 121.183 0.998 17842 1361 1 2 . 1 1 134 134 ALA C C 135 176.250 176.250 175.856 0.394 17842 1362 1 2 . 1 1 134 134 ALA CA C 135 51.157 51.157 50.700 0.457 17842 1363 1 2 . 1 1 134 134 ALA CB C 135 22.133 22.133 20.676 1.457 17842 1364 1 2 . 1 1 134 134 ALA H H 135 7.562 7.562 7.765 -0.203 17842 1365 1 2 . 1 1 135 135 SER N N 136 114.617 114.617 115.035 -0.418 17842 1366 1 2 . 1 1 135 135 SER C C 136 172.507 172.507 172.970 -0.463 17842 1367 1 2 . 1 1 135 135 SER CA C 136 56.164 56.164 57.458 -1.294 17842 1368 1 2 . 1 1 135 135 SER CB C 136 66.255 66.255 66.895 -0.641 17842 1369 1 2 . 1 1 135 135 SER H H 136 8.717 8.717 8.104 0.613 17842 1370 1 2 . 1 1 136 136 ILE N N 137 114.495 114.495 115.102 -0.607 17842 1371 1 2 . 1 1 136 136 ILE C C 137 173.136 173.136 173.280 -0.144 17842 1372 1 2 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.243 -1.823 17842 1373 1 2 . 1 1 136 136 ILE CB C 137 42.700 42.700 42.021 0.679 17842 1374 1 2 . 1 1 136 136 ILE H H 137 8.592 8.592 9.078 -0.486 17842 1375 1 2 . 1 1 137 137 GLU N N 138 122.016 122.016 122.070 -0.054 17842 1376 1 2 . 1 1 137 137 GLU C C 138 173.792 173.792 175.366 -1.574 17842 1377 1 2 . 1 1 137 137 GLU CA C 138 53.537 53.537 55.114 -1.577 17842 1378 1 2 . 1 1 137 137 GLU CB C 138 35.118 35.118 34.042 1.076 17842 1379 1 2 . 1 1 137 137 GLU H H 138 8.902 8.902 8.522 0.380 17842 1380 1 2 . 1 1 138 138 GLY N N 139 107.847 107.847 111.650 -3.803 17842 1381 1 2 . 1 1 138 138 GLY C C 139 171.817 171.817 172.278 -0.461 17842 1382 1 2 . 1 1 138 138 GLY CA C 139 44.070 44.070 44.347 -0.277 17842 1383 1 2 . 1 1 138 138 GLY H H 139 8.485 8.485 8.281 0.204 17842 1384 1 2 . 1 1 139 139 GLY N N 140 108.290 108.290 107.710 0.580 17842 1385 1 2 . 1 1 139 139 GLY C C 140 169.172 169.172 171.652 -2.480 17842 1386 1 2 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.872 -0.158 17842 1387 1 2 . 1 1 139 139 GLY H H 140 7.841 7.841 8.110 -0.269 17842 1388 1 2 . 1 1 140 140 TYR N N 141 119.674 119.674 117.190 2.484 17842 1389 1 2 . 1 1 140 140 TYR C C 141 173.643 173.643 173.233 0.410 17842 1390 1 2 . 1 1 140 140 TYR CA C 141 55.179 55.179 55.168 0.011 17842 1391 1 2 . 1 1 140 140 TYR CB C 141 43.144 43.144 41.841 1.303 17842 1392 1 2 . 1 1 140 140 TYR H H 141 8.726 8.726 8.084 0.642 17842 1393 1 2 . 1 1 141 141 ARG N N 142 125.021 125.021 120.948 4.073 17842 1394 1 2 . 1 1 141 141 ARG C C 142 173.533 173.533 173.836 -0.303 17842 1395 1 2 . 1 1 141 141 ARG CA C 142 53.813 53.813 54.985 -1.172 17842 1396 1 2 . 1 1 141 141 ARG CB C 142 33.239 33.239 34.989 -1.750 17842 1397 1 2 . 1 1 141 141 ARG H H 142 8.502 8.502 8.194 0.308 17842 1398 1 2 . 1 1 142 142 TYR N N 143 128.805 128.805 122.280 6.525 17842 1399 1 2 . 1 1 142 142 TYR C C 143 173.475 173.475 175.102 -1.627 17842 1400 1 2 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.847 -0.419 17842 1401 1 2 . 1 1 142 142 TYR CB C 143 41.642 41.642 42.193 -0.551 17842 1402 1 2 . 1 1 142 142 TYR H H 143 8.978 8.978 9.260 -0.282 17842 1403 1 2 . 1 1 143 143 LEU N N 144 125.513 125.513 122.070 3.443 17842 1404 1 2 . 1 1 143 143 LEU C C 144 175.370 175.370 175.035 0.335 17842 1405 1 2 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.354 -1.461 17842 1406 1 2 . 1 1 143 143 LEU CB C 144 45.924 45.924 46.942 -1.018 17842 1407 1 2 . 1 1 143 143 LEU H H 144 8.117 8.117 8.907 -0.790 17842 1408 1 2 . 1 1 144 144 ARG N N 145 122.193 122.193 119.907 2.286 17842 1409 1 2 . 1 1 144 144 ARG C C 145 175.452 175.452 174.762 0.690 17842 1410 1 2 . 1 1 144 144 ARG CA C 145 54.077 54.077 55.383 -1.306 17842 1411 1 2 . 1 1 144 144 ARG CB C 145 31.377 31.377 34.822 -3.445 17842 1412 1 2 . 1 1 144 144 ARG H H 145 8.810 8.810 8.771 0.039 17842 1413 1 2 . 1 1 145 145 THR C C 146 172.708 172.708 173.942 -1.234 17842 1414 1 2 . 1 1 145 145 THR CA C 146 59.117 59.117 61.181 -2.064 17842 1415 1 2 . 1 1 145 145 THR CB C 146 70.345 70.345 69.033 1.312 17842 1416 1 2 . 1 1 146 146 ASN N N 147 120.236 120.236 125.217 -4.981 17842 1417 1 2 . 1 1 146 146 ASN C C 147 175.341 175.341 173.877 1.464 17842 1418 1 2 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.508 -1.628 17842 1419 1 2 . 1 1 146 146 ASN CB C 147 38.462 38.462 41.896 -3.434 17842 1420 1 2 . 1 1 146 146 ASN H H 147 8.259 8.259 8.443 -0.184 17842 1421 1 2 . 1 1 147 147 ALA N N 148 124.724 124.724 128.290 -3.566 17842 1422 1 2 . 1 1 147 147 ALA C C 148 176.378 176.378 177.552 -1.174 17842 1423 1 2 . 1 1 147 147 ALA CA C 148 52.179 52.179 53.483 -1.304 17842 1424 1 2 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.436 -0.810 17842 1425 1 2 . 1 1 147 147 ALA H H 148 8.256 8.256 9.057 -0.801 17842 1426 1 2 . 1 1 148 148 SER N N 149 115.670 115.670 112.614 3.056 17842 1427 1 2 . 1 1 148 148 SER C C 149 174.123 174.123 173.344 0.779 17842 1428 1 2 . 1 1 148 148 SER CA C 149 57.281 57.281 58.369 -1.088 17842 1429 1 2 . 1 1 148 148 SER CB C 149 64.685 64.685 63.746 0.939 17842 1430 1 2 . 1 1 148 148 SER H H 149 8.372 8.372 7.700 0.672 17842 1431 1 2 . 1 1 149 149 THR N N 150 115.292 115.292 115.834 -0.542 17842 1432 1 2 . 1 1 149 149 THR C C 150 173.858 173.858 173.322 0.536 17842 1433 1 2 . 1 1 149 149 THR CA C 150 61.189 61.189 63.264 -2.075 17842 1434 1 2 . 1 1 149 149 THR CB C 150 69.105 69.105 68.773 0.332 17842 1435 1 2 . 1 1 149 149 THR H H 150 8.228 8.228 7.960 0.268 17842 1436 1 2 . 1 1 150 150 GLU N N 151 123.244 123.244 121.528 1.716 17842 1437 1 2 . 1 1 150 150 GLU C C 151 176.121 176.121 175.915 0.206 17842 1438 1 2 . 1 1 150 150 GLU CA C 151 56.002 56.002 56.665 -0.663 17842 1439 1 2 . 1 1 150 150 GLU CB C 151 29.931 29.931 30.186 -0.255 17842 1440 1 2 . 1 1 150 150 GLU H H 151 8.186 8.186 8.227 -0.041 17842 1441 1 2 . 1 1 151 151 MET N N 152 121.600 121.600 122.247 -0.647 17842 1442 1 2 . 1 1 151 151 MET C C 152 175.810 175.810 176.142 -0.332 17842 1443 1 2 . 1 1 151 151 MET CA C 152 55.254 55.254 56.287 -1.033 17842 1444 1 2 . 1 1 151 151 MET CB C 152 33.247 33.247 31.874 1.373 17842 1445 1 2 . 1 1 151 151 MET H H 152 8.248 8.248 8.069 0.179 17842 1446 1 2 . 1 1 152 152 THR N N 153 117.486 117.486 118.162 -0.676 17842 1447 1 2 . 1 1 152 152 THR C C 153 172.907 172.907 173.975 -1.068 17842 1448 1 2 . 1 1 152 152 THR CA C 153 59.365 59.365 59.200 0.165 17842 1449 1 2 . 1 1 152 152 THR CB C 153 69.366 69.366 69.113 0.253 17842 1450 1 2 . 1 1 152 152 THR H H 153 8.113 8.113 8.076 0.037 17842 1451 1 2 . 1 1 155 155 GLY C C 156 174.620 174.620 173.714 0.906 17842 1452 1 2 . 1 1 155 155 GLY CA C 156 45.280 45.280 44.747 0.533 17842 1453 1 2 . 1 1 156 156 GLY N N 157 109.059 109.059 107.487 1.572 17842 1454 1 2 . 1 1 156 156 GLY C C 157 173.801 173.801 173.007 0.794 17842 1455 1 2 . 1 1 156 156 GLY CA C 157 44.929 44.929 44.512 0.417 17842 1456 1 2 . 1 1 156 156 GLY H H 157 8.175 8.175 8.158 0.017 17842 1457 1 2 . 1 1 157 157 ASN N N 158 118.630 118.630 119.667 -1.037 17842 1458 1 2 . 1 1 157 157 ASN C C 158 175.025 175.025 175.633 -0.608 17842 1459 1 2 . 1 1 157 157 ASN CA C 158 52.791 52.791 53.079 -0.288 17842 1460 1 2 . 1 1 157 157 ASN CB C 158 38.532 38.532 38.763 -0.231 17842 1461 1 2 . 1 1 157 157 ASN H H 158 8.114 8.114 8.502 -0.388 17842 1462 1 2 . 1 1 158 158 LYS N N 159 121.755 121.755 124.293 -2.538 17842 1463 1 2 . 1 1 158 158 LYS C C 159 176.361 176.361 177.525 -1.164 17842 1464 1 2 . 1 1 158 158 LYS CA C 159 56.472 56.472 57.186 -0.714 17842 1465 1 2 . 1 1 158 158 LYS CB C 159 32.403 32.403 33.130 -0.728 17842 1466 1 2 . 1 1 158 158 LYS H H 159 8.169 8.169 8.696 -0.527 17842 1467 1 2 . 1 1 159 159 LEU N N 160 123.084 123.084 116.273 6.811 17842 1468 1 2 . 1 1 159 159 LEU C C 160 177.408 177.408 177.653 -0.245 17842 1469 1 2 . 1 1 159 159 LEU CA C 160 55.162 55.162 56.666 -1.504 17842 1470 1 2 . 1 1 159 159 LEU CB C 160 42.690 42.690 40.545 2.145 17842 1471 1 2 . 1 1 159 159 LEU H H 160 8.173 8.173 8.011 0.162 17842 1472 1 2 . 1 1 160 160 GLY N N 161 109.180 109.180 105.877 3.303 17842 1473 1 2 . 1 1 160 160 GLY C C 161 173.574 173.574 172.666 0.908 17842 1474 1 2 . 1 1 160 160 GLY CA C 161 44.877 44.877 45.008 -0.131 17842 1475 1 2 . 1 1 160 160 GLY H H 161 8.117 8.117 7.975 0.142 17842 1476 1 2 . 1 1 161 161 SER N N 162 115.719 115.719 116.369 -0.650 17842 1477 1 2 . 1 1 161 161 SER C C 162 173.715 173.715 173.902 -0.187 17842 1478 1 2 . 1 1 161 161 SER CA C 162 57.965 57.965 59.174 -1.209 17842 1479 1 2 . 1 1 161 161 SER CB C 162 63.856 63.856 63.522 0.334 17842 1480 1 2 . 1 1 161 161 SER H H 162 8.064 8.064 8.337 -0.273 17842 1481 1 2 . 1 1 162 162 LEU N N 163 123.433 123.433 126.635 -3.202 17842 1482 1 2 . 1 1 162 162 LEU C C 163 175.609 175.609 175.563 0.046 17842 1483 1 2 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.916 -1.531 17842 1484 1 2 . 1 1 162 162 LEU CB C 163 43.046 43.046 44.451 -1.405 17842 1485 1 2 . 1 1 162 162 LEU H H 163 8.282 8.282 8.353 -0.071 17842 1486 1 2 . 1 1 163 163 ASP N N 164 122.223 122.223 126.050 -3.827 17842 1487 1 2 . 1 1 163 163 ASP C C 164 175.122 175.122 175.264 -0.142 17842 1488 1 2 . 1 1 163 163 ASP CA C 164 53.400 53.400 54.362 -0.962 17842 1489 1 2 . 1 1 163 163 ASP CB C 164 41.200 41.200 41.047 0.153 17842 1490 1 2 . 1 1 163 163 ASP H H 164 8.356 8.356 8.557 -0.201 17842 1491 1 2 . 1 1 166 166 SER C C 167 172.472 172.472 173.612 -1.140 17842 1492 1 2 . 1 1 166 166 SER CA C 167 56.760 56.760 57.513 -0.753 17842 1493 1 2 . 1 1 167 167 SER N N 168 115.939 115.939 120.633 -4.694 17842 1494 1 2 . 1 1 167 167 SER C C 168 173.318 173.318 172.775 0.543 17842 1495 1 2 . 1 1 167 167 SER CA C 168 56.763 56.763 57.975 -1.212 17842 1496 1 2 . 1 1 167 167 SER CB C 168 65.286 65.286 65.382 -0.095 17842 1497 1 2 . 1 1 167 167 SER H H 168 8.678 8.678 8.791 -0.113 17842 1498 1 2 . 1 1 168 168 SER C C 169 172.500 172.500 173.623 -1.123 17842 1499 1 2 . 1 1 168 168 SER CA C 169 56.569 56.569 57.053 -0.484 17842 1500 1 2 . 1 1 168 168 SER CB C 169 65.738 65.738 64.448 1.290 17842 1501 1 2 . 1 1 169 169 GLN N N 170 122.951 122.951 120.198 2.753 17842 1502 1 2 . 1 1 169 169 GLN C C 170 174.697 174.697 173.220 1.477 17842 1503 1 2 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.844 -0.806 17842 1504 1 2 . 1 1 169 169 GLN CB C 170 32.383 32.383 31.435 0.948 17842 1505 1 2 . 1 1 169 169 GLN H H 170 8.745 8.745 8.086 0.659 17842 1506 1 2 . 1 1 170 170 PHE N N 171 125.628 125.628 120.284 5.344 17842 1507 1 2 . 1 1 170 170 PHE C C 171 174.628 174.628 175.073 -0.445 17842 1508 1 2 . 1 1 170 170 PHE CA C 171 56.200 56.200 56.776 -0.576 17842 1509 1 2 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.302 -0.750 17842 1510 1 2 . 1 1 170 170 PHE H H 171 7.771 7.771 8.575 -0.804 17842 1511 1 2 . 1 1 171 171 TYR N N 172 121.558 121.558 121.092 0.466 17842 1512 1 2 . 1 1 171 171 TYR C C 172 171.727 171.727 173.224 -1.497 17842 1513 1 2 . 1 1 171 171 TYR CA C 172 56.046 56.046 55.244 0.802 17842 1514 1 2 . 1 1 171 171 TYR CB C 172 42.439 42.439 41.837 0.602 17842 1515 1 2 . 1 1 171 171 TYR H H 172 8.696 8.696 9.203 -0.507 17842 1516 1 2 . 1 1 172 172 LEU N N 173 119.230 119.230 119.692 -0.462 17842 1517 1 2 . 1 1 172 172 LEU C C 173 176.352 176.352 175.635 0.717 17842 1518 1 2 . 1 1 172 172 LEU CA C 173 52.743 52.743 55.725 -2.982 17842 1519 1 2 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.535 0.002 17842 1520 1 2 . 1 1 172 172 LEU H H 173 8.971 8.971 9.041 -0.070 17842 1521 1 2 . 1 1 173 173 GLY N N 174 107.248 107.248 110.604 -3.356 17842 1522 1 2 . 1 1 173 173 GLY C C 174 170.680 170.680 172.338 -1.658 17842 1523 1 2 . 1 1 173 173 GLY CA C 174 44.920 44.920 45.188 -0.268 17842 1524 1 2 . 1 1 173 173 GLY H H 174 9.085 9.085 9.157 -0.072 17842 1525 1 2 . 1 1 174 174 ALA N N 175 121.461 121.461 120.775 0.686 17842 1526 1 2 . 1 1 174 174 ALA C C 175 174.546 174.546 175.589 -1.043 17842 1527 1 2 . 1 1 174 174 ALA CA C 175 50.312 50.312 50.217 0.095 17842 1528 1 2 . 1 1 174 174 ALA CB C 175 21.643 21.643 21.746 -0.103 17842 1529 1 2 . 1 1 174 174 ALA H H 175 8.575 8.575 8.128 0.447 17842 1530 1 2 . 1 1 175 175 ASN N N 176 117.370 117.370 116.499 0.871 17842 1531 1 2 . 1 1 175 175 ASN C C 176 173.370 173.370 172.970 0.400 17842 1532 1 2 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.825 -2.225 17842 1533 1 2 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.439 -0.482 17842 1534 1 2 . 1 1 175 175 ASN H H 176 8.762 8.762 8.539 0.223 17842 1535 1 2 . 1 1 176 176 TYR N N 177 122.724 122.724 125.206 -2.482 17842 1536 1 2 . 1 1 176 176 TYR C C 177 173.924 173.924 174.927 -1.003 17842 1537 1 2 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.999 -0.561 17842 1538 1 2 . 1 1 176 176 TYR CB C 177 42.401 42.401 41.870 0.531 17842 1539 1 2 . 1 1 176 176 TYR H H 177 9.570 9.570 9.217 0.353 17842 1540 1 2 . 1 1 177 177 LYS N N 178 127.067 127.067 124.514 2.553 17842 1541 1 2 . 1 1 177 177 LYS C C 178 174.336 174.336 174.577 -0.241 17842 1542 1 2 . 1 1 177 177 LYS CA C 178 54.243 54.243 54.716 -0.473 17842 1543 1 2 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.814 0.137 17842 1544 1 2 . 1 1 177 177 LYS H H 178 8.284 8.284 7.835 0.449 17842 1545 1 3 . 1 1 2 2 ASP N N 3 119.767 119.767 122.003 -2.236 17842 1546 1 3 . 1 1 2 2 ASP C C 3 175.809 175.809 174.133 1.676 17842 1547 1 3 . 1 1 2 2 ASP CA C 3 53.303 53.303 53.161 0.142 17842 1548 1 3 . 1 1 2 2 ASP CB C 3 42.915 42.915 45.250 -2.335 17842 1549 1 3 . 1 1 2 2 ASP H H 3 8.443 8.443 8.608 -0.165 17842 1550 1 3 . 1 1 3 3 ASN N N 4 123.667 123.667 118.973 4.694 17842 1551 1 3 . 1 1 3 3 ASN C C 4 174.736 174.736 173.983 0.753 17842 1552 1 3 . 1 1 3 3 ASN CA C 4 52.911 52.911 52.265 0.646 17842 1553 1 3 . 1 1 3 3 ASN CB C 4 39.160 39.160 41.482 -2.322 17842 1554 1 3 . 1 1 3 3 ASN H H 4 8.923 8.923 8.767 0.156 17842 1555 1 3 . 1 1 4 4 PHE N N 5 118.447 118.447 118.619 -0.172 17842 1556 1 3 . 1 1 4 4 PHE C C 5 172.331 172.331 173.241 -0.910 17842 1557 1 3 . 1 1 4 4 PHE CA C 5 56.052 56.052 55.786 0.266 17842 1558 1 3 . 1 1 4 4 PHE CB C 5 42.863 42.863 42.322 0.541 17842 1559 1 3 . 1 1 4 4 PHE H H 5 8.910 8.910 8.075 0.835 17842 1560 1 3 . 1 1 5 5 VAL N N 6 116.195 116.195 114.309 1.886 17842 1561 1 3 . 1 1 5 5 VAL C C 6 174.144 174.144 174.509 -0.365 17842 1562 1 3 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.374 -1.845 17842 1563 1 3 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.317 0.501 17842 1564 1 3 . 1 1 5 5 VAL H H 6 8.903 8.903 9.133 -0.230 17842 1565 1 3 . 1 1 6 6 GLY N N 7 110.150 110.150 111.083 -0.933 17842 1566 1 3 . 1 1 6 6 GLY C C 7 170.825 170.825 172.207 -1.382 17842 1567 1 3 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.181 1.037 17842 1568 1 3 . 1 1 6 6 GLY H H 7 8.670 8.670 8.959 -0.289 17842 1569 1 3 . 1 1 7 7 LEU N N 8 120.059 120.059 120.201 -0.142 17842 1570 1 3 . 1 1 7 7 LEU C C 8 175.596 175.596 176.142 -0.546 17842 1571 1 3 . 1 1 7 7 LEU CA C 8 52.933 52.933 53.939 -1.006 17842 1572 1 3 . 1 1 7 7 LEU CB C 8 47.663 47.663 46.290 1.373 17842 1573 1 3 . 1 1 7 7 LEU H H 8 8.562 8.562 8.042 0.520 17842 1574 1 3 . 1 1 8 8 THR N N 9 112.180 112.180 117.212 -5.032 17842 1575 1 3 . 1 1 8 8 THR C C 9 172.942 172.942 172.659 0.283 17842 1576 1 3 . 1 1 8 8 THR CA C 9 59.539 59.539 62.030 -2.491 17842 1577 1 3 . 1 1 8 8 THR CB C 9 70.735 70.735 69.404 1.331 17842 1578 1 3 . 1 1 8 8 THR H H 9 9.114 9.114 8.342 0.772 17842 1579 1 3 . 1 1 9 9 TRP N N 10 121.476 121.476 129.895 -8.419 17842 1580 1 3 . 1 1 9 9 TRP C C 10 174.622 174.622 174.786 -0.164 17842 1581 1 3 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.322 1.096 17842 1582 1 3 . 1 1 9 9 TRP CB C 10 31.877 31.877 32.714 -0.837 17842 1583 1 3 . 1 1 9 9 TRP H H 10 9.022 9.022 9.018 0.004 17842 1584 1 3 . 1 1 10 10 GLY N N 11 112.750 112.750 114.597 -1.847 17842 1585 1 3 . 1 1 10 10 GLY C C 11 171.655 171.655 172.792 -1.137 17842 1586 1 3 . 1 1 10 10 GLY CA C 11 44.940 44.940 44.103 0.837 17842 1587 1 3 . 1 1 10 10 GLY H H 11 7.798 7.798 8.313 -0.515 17842 1588 1 3 . 1 1 11 11 GLU N N 12 117.292 117.292 125.833 -8.541 17842 1589 1 3 . 1 1 11 11 GLU C C 12 175.810 175.810 176.025 -0.215 17842 1590 1 3 . 1 1 11 11 GLU CA C 12 53.743 53.743 55.497 -1.754 17842 1591 1 3 . 1 1 11 11 GLU CB C 12 31.361 31.361 30.501 0.860 17842 1592 1 3 . 1 1 11 11 GLU H H 12 8.223 8.223 8.607 -0.384 17842 1593 1 3 . 1 1 12 12 THR N N 13 123.477 123.477 120.763 2.714 17842 1594 1 3 . 1 1 12 12 THR C C 13 174.233 174.233 174.283 -0.050 17842 1595 1 3 . 1 1 12 12 THR CA C 13 61.872 61.872 61.786 0.086 17842 1596 1 3 . 1 1 12 12 THR CB C 13 69.374 69.374 68.717 0.657 17842 1597 1 3 . 1 1 12 12 THR H H 13 8.722 8.722 8.353 0.369 17842 1598 1 3 . 1 1 13 13 SER N N 14 122.220 122.220 124.282 -2.062 17842 1599 1 3 . 1 1 13 13 SER C C 14 173.577 173.577 173.410 0.167 17842 1600 1 3 . 1 1 13 13 SER CA C 14 56.934 56.934 58.597 -1.663 17842 1601 1 3 . 1 1 13 13 SER CB C 14 64.249 64.249 65.774 -1.525 17842 1602 1 3 . 1 1 13 13 SER H H 14 9.225 9.225 8.340 0.885 17842 1603 1 3 . 1 1 14 14 ASN N N 15 125.159 125.159 124.985 0.174 17842 1604 1 3 . 1 1 14 14 ASN C C 15 174.673 174.673 174.288 0.385 17842 1605 1 3 . 1 1 14 14 ASN CA C 15 51.888 51.888 52.700 -0.812 17842 1606 1 3 . 1 1 14 14 ASN CB C 15 39.777 39.777 38.293 1.484 17842 1607 1 3 . 1 1 14 14 ASN H H 15 8.745 8.745 8.669 0.076 17842 1608 1 3 . 1 1 15 15 ASN N N 16 120.330 120.330 119.650 0.680 17842 1609 1 3 . 1 1 15 15 ASN C C 16 175.886 175.886 175.926 -0.040 17842 1610 1 3 . 1 1 15 15 ASN CA C 16 52.780 52.780 52.861 -0.081 17842 1611 1 3 . 1 1 15 15 ASN CB C 16 38.595 38.595 39.265 -0.670 17842 1612 1 3 . 1 1 15 15 ASN H H 16 8.494 8.494 8.014 0.480 17842 1613 1 3 . 1 1 20 20 LYS C C 21 176.705 176.705 175.690 1.015 17842 1614 1 3 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.592 0.091 17842 1615 1 3 . 1 1 21 21 SER N N 22 115.966 115.966 115.704 0.262 17842 1616 1 3 . 1 1 21 21 SER C C 22 174.564 174.564 173.399 1.165 17842 1617 1 3 . 1 1 21 21 SER CA C 22 58.149 58.149 58.034 0.115 17842 1618 1 3 . 1 1 21 21 SER CB C 22 63.308 63.308 64.078 -0.770 17842 1619 1 3 . 1 1 21 21 SER H H 22 8.053 8.053 8.329 -0.276 17842 1620 1 3 . 1 1 22 22 LEU N N 23 123.751 123.751 123.891 -0.140 17842 1621 1 3 . 1 1 22 22 LEU C C 23 176.968 176.968 176.207 0.761 17842 1622 1 3 . 1 1 22 22 LEU CA C 23 55.269 55.269 54.590 0.679 17842 1623 1 3 . 1 1 22 22 LEU CB C 23 42.334 42.334 41.999 0.335 17842 1624 1 3 . 1 1 22 22 LEU H H 23 8.006 8.006 8.469 -0.463 17842 1625 1 3 . 1 1 23 23 ASN N N 24 118.937 118.937 119.524 -0.587 17842 1626 1 3 . 1 1 23 23 ASN C C 24 175.119 175.119 175.763 -0.644 17842 1627 1 3 . 1 1 23 23 ASN CA C 24 52.993 52.993 52.996 -0.003 17842 1628 1 3 . 1 1 23 23 ASN CB C 24 38.255 38.255 38.970 -0.715 17842 1629 1 3 . 1 1 23 23 ASN H H 24 8.136 8.136 8.023 0.113 17842 1630 1 3 . 1 1 24 24 ARG N N 25 121.500 121.500 120.817 0.683 17842 1631 1 3 . 1 1 24 24 ARG C C 25 175.849 175.849 174.644 1.205 17842 1632 1 3 . 1 1 24 24 ARG CA C 25 56.368 56.368 55.749 0.619 17842 1633 1 3 . 1 1 24 24 ARG CB C 25 30.366 30.366 27.851 2.515 17842 1634 1 3 . 1 1 24 24 ARG H H 25 8.097 8.097 8.563 -0.466 17842 1635 1 3 . 1 1 25 25 ASN N N 26 119.196 119.196 115.871 3.325 17842 1636 1 3 . 1 1 25 25 ASN C C 26 175.122 175.122 173.009 2.113 17842 1637 1 3 . 1 1 25 25 ASN CA C 26 53.061 53.061 52.843 0.218 17842 1638 1 3 . 1 1 25 25 ASN CB C 26 38.291 38.291 39.203 -0.912 17842 1639 1 3 . 1 1 25 25 ASN H H 26 8.278 8.278 7.368 0.910 17842 1640 1 3 . 1 1 26 26 LEU N N 27 122.352 122.352 118.806 3.546 17842 1641 1 3 . 1 1 26 26 LEU C C 27 176.903 176.903 176.856 0.047 17842 1642 1 3 . 1 1 26 26 LEU CA C 27 55.326 55.326 55.790 -0.464 17842 1643 1 3 . 1 1 26 26 LEU CB C 27 42.186 42.186 43.373 -1.187 17842 1644 1 3 . 1 1 26 26 LEU H H 27 7.992 7.992 8.229 -0.237 17842 1645 1 3 . 1 1 27 27 ASN N N 28 118.444 118.444 120.682 -2.238 17842 1646 1 3 . 1 1 27 27 ASN C C 28 174.754 174.754 174.027 0.727 17842 1647 1 3 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.252 -0.292 17842 1648 1 3 . 1 1 27 27 ASN CB C 28 38.419 38.419 37.565 0.854 17842 1649 1 3 . 1 1 27 27 ASN H H 28 8.216 8.216 8.375 -0.159 17842 1650 1 3 . 1 1 28 28 SER N N 29 116.471 116.471 118.260 -1.789 17842 1651 1 3 . 1 1 28 28 SER C C 29 172.778 172.778 171.918 0.860 17842 1652 1 3 . 1 1 28 28 SER CA C 29 55.982 55.982 56.751 -0.769 17842 1653 1 3 . 1 1 28 28 SER CB C 29 63.179 63.179 64.849 -1.670 17842 1654 1 3 . 1 1 28 28 SER H H 29 7.833 7.833 7.816 0.017 17842 1655 1 3 . 1 1 29 29 PRO C C 30 176.535 176.535 175.497 1.038 17842 1656 1 3 . 1 1 29 29 PRO CA C 30 63.458 63.458 62.989 0.470 17842 1657 1 3 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.181 -0.509 17842 1658 1 3 . 1 1 30 30 ASN N N 31 118.189 118.189 119.284 -1.095 17842 1659 1 3 . 1 1 30 30 ASN C C 31 175.075 175.075 174.513 0.562 17842 1660 1 3 . 1 1 30 30 ASN CA C 31 53.051 53.051 52.692 0.359 17842 1661 1 3 . 1 1 30 30 ASN CB C 31 38.277 38.277 39.872 -1.595 17842 1662 1 3 . 1 1 30 30 ASN H H 31 8.231 8.231 8.390 -0.159 17842 1663 1 3 . 1 1 31 31 LEU N N 32 122.838 122.838 121.688 1.150 17842 1664 1 3 . 1 1 31 31 LEU C C 32 176.800 176.800 176.474 0.326 17842 1665 1 3 . 1 1 31 31 LEU CA C 32 55.107 55.107 54.561 0.546 17842 1666 1 3 . 1 1 31 31 LEU CB C 32 42.291 42.291 42.270 0.021 17842 1667 1 3 . 1 1 31 31 LEU H H 32 8.011 8.011 8.530 -0.519 17842 1668 1 3 . 1 1 32 32 ASP N N 33 120.740 120.740 121.838 -1.098 17842 1669 1 3 . 1 1 32 32 ASP C C 33 175.863 175.863 175.632 0.231 17842 1670 1 3 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.401 -0.070 17842 1671 1 3 . 1 1 32 32 ASP CB C 33 40.758 40.758 40.407 0.351 17842 1672 1 3 . 1 1 32 32 ASP H H 33 8.151 8.151 8.369 -0.218 17842 1673 1 3 . 1 1 33 33 LYS N N 34 120.746 120.746 123.182 -2.436 17842 1674 1 3 . 1 1 33 33 LYS C C 34 175.912 175.912 176.356 -0.444 17842 1675 1 3 . 1 1 33 33 LYS CA C 34 55.865 55.865 56.802 -0.937 17842 1676 1 3 . 1 1 33 33 LYS CB C 34 32.738 32.738 33.689 -0.951 17842 1677 1 3 . 1 1 33 33 LYS H H 34 7.933 7.933 8.281 -0.348 17842 1678 1 3 . 1 1 34 34 VAL N N 35 121.590 121.590 121.080 0.510 17842 1679 1 3 . 1 1 34 34 VAL C C 35 175.691 175.691 174.661 1.030 17842 1680 1 3 . 1 1 34 34 VAL CA C 35 62.186 62.186 62.240 -0.055 17842 1681 1 3 . 1 1 34 34 VAL CB C 35 32.591 32.591 31.777 0.814 17842 1682 1 3 . 1 1 34 34 VAL H H 35 7.995 7.995 8.195 -0.200 17842 1683 1 3 . 1 1 35 35 ILE N N 36 124.025 124.025 116.383 7.642 17842 1684 1 3 . 1 1 35 35 ILE C C 36 175.266 175.266 174.657 0.609 17842 1685 1 3 . 1 1 35 35 ILE CA C 36 60.495 60.495 62.050 -1.555 17842 1686 1 3 . 1 1 35 35 ILE CB C 36 38.489 38.489 37.290 1.199 17842 1687 1 3 . 1 1 35 35 ILE H H 36 8.034 8.034 7.776 0.258 17842 1688 1 3 . 1 1 36 36 ASP N N 37 125.860 125.860 124.423 1.437 17842 1689 1 3 . 1 1 36 36 ASP C C 37 175.014 175.014 174.677 0.337 17842 1690 1 3 . 1 1 36 36 ASP CA C 37 53.719 53.719 53.810 -0.091 17842 1691 1 3 . 1 1 36 36 ASP CB C 37 41.755 41.755 42.347 -0.592 17842 1692 1 3 . 1 1 36 36 ASP H H 37 8.190 8.190 8.399 -0.209 17842 1693 1 3 . 1 1 37 37 ASN N N 38 120.770 120.770 122.040 -1.270 17842 1694 1 3 . 1 1 37 37 ASN C C 38 174.821 174.821 174.427 0.394 17842 1695 1 3 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.135 0.022 17842 1696 1 3 . 1 1 37 37 ASN CB C 38 38.663 38.663 40.526 -1.863 17842 1697 1 3 . 1 1 37 37 ASN H H 38 8.334 8.334 8.405 -0.071 17842 1698 1 3 . 1 1 38 38 THR N N 39 115.976 115.976 115.866 0.110 17842 1699 1 3 . 1 1 38 38 THR C C 39 175.226 175.226 173.390 1.836 17842 1700 1 3 . 1 1 38 38 THR CA C 39 62.215 62.215 62.252 -0.037 17842 1701 1 3 . 1 1 38 38 THR CB C 39 69.618 69.618 69.447 0.171 17842 1702 1 3 . 1 1 38 38 THR H H 39 8.508 8.508 8.391 0.117 17842 1703 1 3 . 1 1 39 39 GLY N N 40 115.818 115.818 112.216 3.602 17842 1704 1 3 . 1 1 39 39 GLY C C 40 172.862 172.862 172.200 0.662 17842 1705 1 3 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.578 0.590 17842 1706 1 3 . 1 1 39 39 GLY H H 40 8.819 8.819 8.357 0.462 17842 1707 1 3 . 1 1 40 40 THR N N 41 119.787 119.787 113.216 6.571 17842 1708 1 3 . 1 1 40 40 THR C C 41 172.914 172.914 173.179 -0.265 17842 1709 1 3 . 1 1 40 40 THR CA C 41 61.321 61.321 60.142 1.179 17842 1710 1 3 . 1 1 40 40 THR CB C 41 71.499 71.499 71.582 -0.083 17842 1711 1 3 . 1 1 40 40 THR H H 41 8.117 8.117 8.201 -0.084 17842 1712 1 3 . 1 1 41 41 TRP N N 42 128.090 128.090 126.328 1.762 17842 1713 1 3 . 1 1 41 41 TRP C C 42 174.627 174.627 175.214 -0.587 17842 1714 1 3 . 1 1 41 41 TRP CA C 42 55.122 55.122 56.083 -0.961 17842 1715 1 3 . 1 1 41 41 TRP CB C 42 31.905 31.905 32.252 -0.347 17842 1716 1 3 . 1 1 41 41 TRP H H 42 8.178 8.178 8.546 -0.368 17842 1717 1 3 . 1 1 42 42 GLY N N 43 109.883 109.883 112.144 -2.261 17842 1718 1 3 . 1 1 42 42 GLY C C 43 172.317 172.317 172.537 -0.220 17842 1719 1 3 . 1 1 42 42 GLY CA C 43 44.176 44.176 44.397 -0.221 17842 1720 1 3 . 1 1 42 42 GLY H H 43 8.892 8.892 8.481 0.411 17842 1721 1 3 . 1 1 43 43 ILE N N 44 118.005 118.005 119.176 -1.171 17842 1722 1 3 . 1 1 43 43 ILE C C 44 173.071 173.071 174.383 -1.312 17842 1723 1 3 . 1 1 43 43 ILE CA C 44 58.606 58.606 60.661 -2.055 17842 1724 1 3 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.851 0.279 17842 1725 1 3 . 1 1 43 43 ILE H H 44 8.879 8.879 7.814 1.065 17842 1726 1 3 . 1 1 44 44 ARG N N 45 120.855 120.855 122.632 -1.777 17842 1727 1 3 . 1 1 44 44 ARG C C 45 174.942 174.942 174.753 0.189 17842 1728 1 3 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.545 -1.656 17842 1729 1 3 . 1 1 44 44 ARG CB C 45 33.952 33.952 33.744 0.208 17842 1730 1 3 . 1 1 44 44 ARG H H 45 8.708 8.708 8.813 -0.105 17842 1731 1 3 . 1 1 45 45 ALA N N 46 119.127 119.127 129.217 -10.090 17842 1732 1 3 . 1 1 45 45 ALA C C 46 175.693 175.693 175.118 0.575 17842 1733 1 3 . 1 1 45 45 ALA CA C 46 50.620 50.620 51.911 -1.291 17842 1734 1 3 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.948 -0.166 17842 1735 1 3 . 1 1 45 45 ALA H H 46 8.419 8.419 8.774 -0.355 17842 1736 1 3 . 1 1 46 46 GLY N N 47 107.350 107.350 109.526 -2.176 17842 1737 1 3 . 1 1 46 46 GLY C C 47 171.353 171.353 171.553 -0.200 17842 1738 1 3 . 1 1 46 46 GLY CA C 47 45.630 45.630 44.672 0.958 17842 1739 1 3 . 1 1 46 46 GLY H H 47 7.819 7.819 8.339 -0.520 17842 1740 1 3 . 1 1 47 47 GLN N N 48 118.061 118.061 118.608 -0.547 17842 1741 1 3 . 1 1 47 47 GLN C C 48 173.671 173.671 174.249 -0.578 17842 1742 1 3 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.776 -0.411 17842 1743 1 3 . 1 1 47 47 GLN CB C 48 32.912 32.912 33.498 -0.586 17842 1744 1 3 . 1 1 47 47 GLN H H 48 8.483 8.483 7.645 0.838 17842 1745 1 3 . 1 1 48 48 GLN N N 49 122.691 122.691 123.648 -0.957 17842 1746 1 3 . 1 1 48 48 GLN C C 49 173.291 173.291 174.639 -1.348 17842 1747 1 3 . 1 1 48 48 GLN CA C 49 54.593 54.593 55.297 -0.704 17842 1748 1 3 . 1 1 48 48 GLN CB C 49 30.750 30.750 29.551 1.199 17842 1749 1 3 . 1 1 48 48 GLN H H 49 9.319 9.319 8.922 0.397 17842 1750 1 3 . 1 1 49 49 PHE N N 50 126.379 126.379 127.278 -0.899 17842 1751 1 3 . 1 1 49 49 PHE C C 50 175.918 175.918 176.749 -0.831 17842 1752 1 3 . 1 1 49 49 PHE CA C 50 55.013 55.013 56.651 -1.638 17842 1753 1 3 . 1 1 49 49 PHE CB C 50 39.974 39.974 42.036 -2.062 17842 1754 1 3 . 1 1 49 49 PHE H H 50 8.781 8.781 9.476 -0.695 17842 1755 1 3 . 1 1 50 50 GLU N N 51 121.087 121.087 122.601 -1.514 17842 1756 1 3 . 1 1 50 50 GLU C C 51 178.452 178.452 176.001 2.451 17842 1757 1 3 . 1 1 50 50 GLU CA C 51 60.435 60.435 59.449 0.987 17842 1758 1 3 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.730 -1.044 17842 1759 1 3 . 1 1 50 50 GLU H H 51 8.975 8.975 8.928 0.047 17842 1760 1 3 . 1 1 51 51 GLN N N 52 111.198 111.198 114.317 -3.119 17842 1761 1 3 . 1 1 51 51 GLN C C 52 176.031 176.031 174.522 1.509 17842 1762 1 3 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.418 0.418 17842 1763 1 3 . 1 1 51 51 GLN CB C 52 28.617 28.617 28.411 0.206 17842 1764 1 3 . 1 1 51 51 GLN H H 52 7.955 7.955 8.433 -0.478 17842 1765 1 3 . 1 1 52 52 GLY N N 53 110.800 110.800 109.195 1.605 17842 1766 1 3 . 1 1 52 52 GLY C C 53 169.076 169.076 171.683 -2.607 17842 1767 1 3 . 1 1 52 52 GLY CA C 53 45.303 45.303 46.008 -0.705 17842 1768 1 3 . 1 1 52 52 GLY H H 53 6.696 6.696 7.722 -1.026 17842 1769 1 3 . 1 1 53 53 ARG N N 54 111.857 111.857 124.164 -12.307 17842 1770 1 3 . 1 1 53 53 ARG C C 54 172.397 172.397 174.368 -1.971 17842 1771 1 3 . 1 1 53 53 ARG CA C 54 54.227 54.227 54.046 0.181 17842 1772 1 3 . 1 1 53 53 ARG CB C 54 31.755 31.755 34.551 -2.796 17842 1773 1 3 . 1 1 53 53 ARG H H 54 8.216 8.216 9.060 -0.844 17842 1774 1 3 . 1 1 54 54 TYR N N 55 116.379 116.379 125.156 -8.777 17842 1775 1 3 . 1 1 54 54 TYR C C 55 175.461 175.461 175.082 0.379 17842 1776 1 3 . 1 1 54 54 TYR CA C 55 55.296 55.296 56.318 -1.022 17842 1777 1 3 . 1 1 54 54 TYR CB C 55 41.539 41.539 41.126 0.413 17842 1778 1 3 . 1 1 54 54 TYR H H 55 8.477 8.477 9.110 -0.633 17842 1779 1 3 . 1 1 55 55 TYR N N 56 114.651 114.651 126.565 -11.914 17842 1780 1 3 . 1 1 55 55 TYR C C 56 173.431 173.431 173.506 -0.075 17842 1781 1 3 . 1 1 55 55 TYR CA C 56 55.886 55.886 56.719 -0.833 17842 1782 1 3 . 1 1 55 55 TYR CB C 56 37.595 37.595 39.988 -2.393 17842 1783 1 3 . 1 1 55 55 TYR H H 56 8.221 8.221 8.336 -0.115 17842 1784 1 3 . 1 1 56 56 ALA N N 57 125.460 125.460 129.191 -3.731 17842 1785 1 3 . 1 1 56 56 ALA C C 57 175.737 175.737 176.092 -0.355 17842 1786 1 3 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.036 -0.888 17842 1787 1 3 . 1 1 56 56 ALA CB C 57 20.777 20.777 20.968 -0.191 17842 1788 1 3 . 1 1 56 56 ALA H H 57 9.034 9.034 8.086 0.948 17842 1789 1 3 . 1 1 57 57 THR N N 58 116.923 116.923 121.189 -4.266 17842 1790 1 3 . 1 1 57 57 THR C C 58 173.462 173.462 173.550 -0.088 17842 1791 1 3 . 1 1 57 57 THR CA C 58 61.458 61.458 60.036 1.422 17842 1792 1 3 . 1 1 57 57 THR CB C 58 71.683 71.683 70.837 0.846 17842 1793 1 3 . 1 1 57 57 THR H H 58 8.907 8.907 8.252 0.655 17842 1794 1 3 . 1 1 58 58 TYR N N 59 126.784 126.784 131.052 -4.268 17842 1795 1 3 . 1 1 58 58 TYR C C 59 173.954 173.954 174.039 -0.085 17842 1796 1 3 . 1 1 58 58 TYR CA C 59 55.682 55.682 57.521 -1.839 17842 1797 1 3 . 1 1 58 58 TYR CB C 59 41.320 41.320 39.116 2.204 17842 1798 1 3 . 1 1 58 58 TYR H H 59 8.974 8.974 8.339 0.635 17842 1799 1 3 . 1 1 59 59 GLU N N 60 124.211 124.211 126.616 -2.405 17842 1800 1 3 . 1 1 59 59 GLU C C 60 173.989 173.989 174.633 -0.644 17842 1801 1 3 . 1 1 59 59 GLU CA C 60 52.924 52.924 55.010 -2.086 17842 1802 1 3 . 1 1 59 59 GLU CB C 60 33.742 33.742 34.187 -0.445 17842 1803 1 3 . 1 1 59 59 GLU H H 60 8.049 8.049 8.662 -0.613 17842 1804 1 3 . 1 1 60 60 ASN N N 61 118.358 118.358 116.378 1.980 17842 1805 1 3 . 1 1 60 60 ASN C C 61 173.609 173.609 173.932 -0.323 17842 1806 1 3 . 1 1 60 60 ASN CA C 61 52.281 52.281 53.694 -1.413 17842 1807 1 3 . 1 1 60 60 ASN H H 61 8.155 8.155 8.892 -0.737 17842 1808 1 3 . 1 1 61 61 ILE C C 62 174.902 174.902 174.690 0.212 17842 1809 1 3 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.967 0.013 17842 1810 1 3 . 1 1 61 61 ILE CB C 62 40.772 40.772 40.524 0.248 17842 1811 1 3 . 1 1 62 62 SER N N 63 121.368 121.368 118.231 3.137 17842 1812 1 3 . 1 1 62 62 SER C C 63 173.027 173.027 174.387 -1.360 17842 1813 1 3 . 1 1 62 62 SER CA C 63 57.295 57.295 58.971 -1.676 17842 1814 1 3 . 1 1 62 62 SER CB C 63 64.306 64.306 64.553 -0.247 17842 1815 1 3 . 1 1 62 62 SER H H 63 8.339 8.339 8.569 -0.230 17842 1816 1 3 . 1 1 63 63 ASP N N 64 124.300 124.300 120.766 3.534 17842 1817 1 3 . 1 1 63 63 ASP C C 64 176.570 176.570 175.612 0.958 17842 1818 1 3 . 1 1 63 63 ASP CA C 64 53.291 53.291 54.174 -0.883 17842 1819 1 3 . 1 1 63 63 ASP CB C 64 42.484 42.484 43.115 -0.631 17842 1820 1 3 . 1 1 63 63 ASP H H 64 8.596 8.596 8.209 0.387 17842 1821 1 3 . 1 1 64 64 THR N N 65 116.756 116.756 113.605 3.151 17842 1822 1 3 . 1 1 64 64 THR C C 65 175.975 175.975 175.771 0.204 17842 1823 1 3 . 1 1 64 64 THR CA C 65 61.608 61.608 61.409 0.199 17842 1824 1 3 . 1 1 64 64 THR CB C 65 68.856 68.856 69.376 -0.520 17842 1825 1 3 . 1 1 64 64 THR H H 65 8.581 8.581 8.227 0.354 17842 1826 1 3 . 1 1 65 65 SER N N 66 119.276 119.276 117.044 2.232 17842 1827 1 3 . 1 1 65 65 SER CA C 66 59.728 59.728 60.267 -0.540 17842 1828 1 3 . 1 1 65 65 SER CB C 66 63.514 63.514 63.041 0.473 17842 1829 1 3 . 1 1 65 65 SER H H 66 8.492 8.492 8.188 0.303 17842 1830 1 3 . 1 1 66 66 SER C C 67 175.122 175.122 174.928 0.194 17842 1831 1 3 . 1 1 66 66 SER CA C 67 58.554 58.554 59.394 -0.840 17842 1832 1 3 . 1 1 67 67 GLY N N 68 110.266 110.266 107.691 2.575 17842 1833 1 3 . 1 1 67 67 GLY C C 68 173.832 173.832 172.455 1.377 17842 1834 1 3 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.914 0.293 17842 1835 1 3 . 1 1 67 67 GLY H H 68 8.184 8.184 7.366 0.818 17842 1836 1 3 . 1 1 68 68 ASN N N 69 118.584 118.584 120.394 -1.810 17842 1837 1 3 . 1 1 68 68 ASN C C 69 174.239 174.239 174.449 -0.210 17842 1838 1 3 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.719 0.011 17842 1839 1 3 . 1 1 68 68 ASN CB C 69 38.938 38.938 39.239 -0.301 17842 1840 1 3 . 1 1 68 68 ASN H H 69 7.972 7.972 8.483 -0.511 17842 1841 1 3 . 1 1 72 72 GLN C C 73 173.610 173.610 174.193 -0.583 17842 1842 1 3 . 1 1 72 72 GLN CA C 73 53.449 53.449 55.414 -1.965 17842 1843 1 3 . 1 1 73 73 GLN N N 74 123.659 123.659 122.746 0.913 17842 1844 1 3 . 1 1 73 73 GLN C C 74 173.276 173.276 173.825 -0.549 17842 1845 1 3 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.858 -1.314 17842 1846 1 3 . 1 1 73 73 GLN CB C 74 34.344 34.344 32.316 2.028 17842 1847 1 3 . 1 1 73 73 GLN H H 74 8.697 8.697 8.288 0.409 17842 1848 1 3 . 1 1 74 74 ASN N N 75 118.720 118.720 122.234 -3.514 17842 1849 1 3 . 1 1 74 74 ASN C C 75 173.733 173.733 173.330 0.403 17842 1850 1 3 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.039 -1.770 17842 1851 1 3 . 1 1 74 74 ASN CB C 75 40.070 40.070 40.860 -0.790 17842 1852 1 3 . 1 1 74 74 ASN H H 75 8.295 8.295 8.908 -0.613 17842 1853 1 3 . 1 1 75 75 LEU N N 76 124.353 124.353 126.000 -1.647 17842 1854 1 3 . 1 1 75 75 LEU C C 76 174.267 174.267 174.589 -0.322 17842 1855 1 3 . 1 1 75 75 LEU CA C 76 53.916 53.916 53.218 0.698 17842 1856 1 3 . 1 1 75 75 LEU CB C 76 44.633 44.633 43.262 1.371 17842 1857 1 3 . 1 1 75 75 LEU H H 76 8.847 8.847 7.961 0.886 17842 1858 1 3 . 1 1 76 76 LEU N N 77 124.437 124.437 127.314 -2.877 17842 1859 1 3 . 1 1 76 76 LEU C C 77 175.188 175.188 175.368 -0.180 17842 1860 1 3 . 1 1 76 76 LEU CA C 77 52.934 52.934 53.829 -0.895 17842 1861 1 3 . 1 1 76 76 LEU CB C 77 45.115 45.115 44.538 0.577 17842 1862 1 3 . 1 1 76 76 LEU H H 77 9.222 9.222 8.083 1.139 17842 1863 1 3 . 1 1 77 77 GLY N N 78 107.288 107.288 112.612 -5.324 17842 1864 1 3 . 1 1 77 77 GLY C C 78 171.733 171.733 172.771 -1.038 17842 1865 1 3 . 1 1 77 77 GLY CA C 78 44.160 44.160 44.300 -0.140 17842 1866 1 3 . 1 1 77 77 GLY H H 78 9.132 9.132 9.121 0.011 17842 1867 1 3 . 1 1 78 78 SER N N 79 117.437 117.437 120.463 -3.026 17842 1868 1 3 . 1 1 78 78 SER C C 79 171.279 171.279 172.475 -1.196 17842 1869 1 3 . 1 1 78 78 SER CA C 79 57.272 57.272 56.942 0.330 17842 1870 1 3 . 1 1 78 78 SER CB C 79 65.596 65.596 66.546 -0.950 17842 1871 1 3 . 1 1 78 78 SER H H 79 8.210 8.210 8.073 0.137 17842 1872 1 3 . 1 1 79 79 TYR N N 80 122.901 122.901 124.026 -1.125 17842 1873 1 3 . 1 1 79 79 TYR C C 80 173.757 173.757 173.977 -0.220 17842 1874 1 3 . 1 1 79 79 TYR CA C 80 56.243 56.243 57.420 -1.177 17842 1875 1 3 . 1 1 79 79 TYR CB C 80 42.570 42.570 41.026 1.544 17842 1876 1 3 . 1 1 79 79 TYR H H 80 8.092 8.092 8.864 -0.772 17842 1877 1 3 . 1 1 80 80 ASP N N 81 122.808 122.808 126.844 -4.036 17842 1878 1 3 . 1 1 80 80 ASP C C 81 173.607 173.607 173.921 -0.314 17842 1879 1 3 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.832 -0.167 17842 1880 1 3 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.857 -0.070 17842 1881 1 3 . 1 1 80 80 ASP H H 81 8.268 8.268 8.553 -0.285 17842 1882 1 3 . 1 1 81 81 ALA N N 82 121.201 121.201 122.472 -1.271 17842 1883 1 3 . 1 1 81 81 ALA C C 82 177.094 177.094 176.539 0.555 17842 1884 1 3 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.827 -1.082 17842 1885 1 3 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.493 1.018 17842 1886 1 3 . 1 1 81 81 ALA H H 82 8.931 8.931 8.146 0.785 17842 1887 1 3 . 1 1 82 82 PHE N N 83 116.305 116.305 122.703 -6.398 17842 1888 1 3 . 1 1 82 82 PHE C C 83 176.299 176.299 174.247 2.052 17842 1889 1 3 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.717 -3.053 17842 1890 1 3 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.272 0.849 17842 1891 1 3 . 1 1 82 82 PHE H H 83 7.404 7.404 8.555 -1.151 17842 1892 1 3 . 1 1 83 83 LEU N N 84 122.208 122.208 120.612 1.596 17842 1893 1 3 . 1 1 83 83 LEU C C 84 173.599 173.599 174.554 -0.955 17842 1894 1 3 . 1 1 83 83 LEU CA C 84 51.874 51.874 53.029 -1.155 17842 1895 1 3 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.204 -0.838 17842 1896 1 3 . 1 1 83 83 LEU H H 84 9.049 9.049 7.824 1.225 17842 1897 1 3 . 1 1 84 84 PRO C C 85 175.877 175.877 176.139 -0.262 17842 1898 1 3 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.507 -0.466 17842 1899 1 3 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.298 0.188 17842 1900 1 3 . 1 1 85 85 ILE N N 86 119.588 119.588 124.276 -4.688 17842 1901 1 3 . 1 1 85 85 ILE C C 86 175.749 175.749 174.650 1.099 17842 1902 1 3 . 1 1 85 85 ILE CA C 86 59.267 59.267 60.115 -0.848 17842 1903 1 3 . 1 1 85 85 ILE CB C 86 39.835 39.835 40.109 -0.275 17842 1904 1 3 . 1 1 85 85 ILE H H 86 8.205 8.205 7.864 0.341 17842 1905 1 3 . 1 1 86 86 GLY N N 87 112.396 112.396 116.738 -4.342 17842 1906 1 3 . 1 1 86 86 GLY C C 87 174.218 174.218 174.190 0.028 17842 1907 1 3 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.096 0.596 17842 1908 1 3 . 1 1 86 86 GLY H H 87 8.364 8.364 8.479 -0.115 17842 1909 1 3 . 1 1 87 87 ASP N N 88 122.109 122.109 123.196 -1.087 17842 1910 1 3 . 1 1 87 87 ASP C C 88 175.839 175.839 176.326 -0.487 17842 1911 1 3 . 1 1 87 87 ASP CA C 88 53.535 53.535 55.998 -2.463 17842 1912 1 3 . 1 1 87 87 ASP CB C 88 41.132 41.132 41.411 -0.279 17842 1913 1 3 . 1 1 87 87 ASP H H 88 8.249 8.249 8.740 -0.491 17842 1914 1 3 . 1 1 88 88 ASN N N 89 116.308 116.308 114.821 1.487 17842 1915 1 3 . 1 1 88 88 ASN C C 89 175.100 175.100 174.307 0.793 17842 1916 1 3 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.371 -0.449 17842 1917 1 3 . 1 1 88 88 ASN CB C 89 38.183 38.183 38.460 -0.277 17842 1918 1 3 . 1 1 88 88 ASN H H 89 8.449 8.449 8.600 -0.151 17842 1919 1 3 . 1 1 89 89 ASN N N 90 115.987 115.987 116.113 -0.126 17842 1920 1 3 . 1 1 89 89 ASN C C 90 173.909 173.909 174.542 -0.633 17842 1921 1 3 . 1 1 89 89 ASN CA C 90 54.386 54.386 52.465 1.921 17842 1922 1 3 . 1 1 89 89 ASN CB C 90 37.657 37.657 39.209 -1.552 17842 1923 1 3 . 1 1 89 89 ASN H H 90 8.477 8.477 8.396 0.081 17842 1924 1 3 . 1 1 90 90 THR N N 91 116.991 116.991 115.634 1.357 17842 1925 1 3 . 1 1 90 90 THR C C 91 173.763 173.763 173.282 0.481 17842 1926 1 3 . 1 1 90 90 THR CA C 91 62.170 62.170 61.448 0.722 17842 1927 1 3 . 1 1 90 90 THR CB C 91 68.706 68.706 69.889 -1.183 17842 1928 1 3 . 1 1 90 90 THR H H 91 7.600 7.600 7.633 -0.033 17842 1929 1 3 . 1 1 91 91 LYS N N 92 124.349 124.349 126.522 -2.173 17842 1930 1 3 . 1 1 91 91 LYS C C 92 175.815 175.815 175.948 -0.133 17842 1931 1 3 . 1 1 91 91 LYS CA C 92 54.406 54.406 54.830 -0.424 17842 1932 1 3 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.233 1.265 17842 1933 1 3 . 1 1 91 91 LYS H H 92 9.249 9.249 8.631 0.618 17842 1934 1 3 . 1 1 92 92 LEU N N 93 123.462 123.462 128.513 -5.051 17842 1935 1 3 . 1 1 92 92 LEU C C 93 176.260 176.260 176.013 0.247 17842 1936 1 3 . 1 1 92 92 LEU CA C 93 53.829 53.829 54.505 -0.677 17842 1937 1 3 . 1 1 92 92 LEU CB C 93 43.614 43.614 41.994 1.620 17842 1938 1 3 . 1 1 92 92 LEU H H 93 8.650 8.650 8.059 0.591 17842 1939 1 3 . 1 1 93 93 PHE N N 94 119.497 119.497 122.637 -3.140 17842 1940 1 3 . 1 1 93 93 PHE C C 94 173.154 173.154 174.959 -1.805 17842 1941 1 3 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.533 0.603 17842 1942 1 3 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.151 1.942 17842 1943 1 3 . 1 1 93 93 PHE H H 94 8.485 8.485 7.612 0.873 17842 1944 1 3 . 1 1 94 94 GLY N N 95 105.945 105.945 107.368 -1.423 17842 1945 1 3 . 1 1 94 94 GLY C C 95 171.815 171.815 172.756 -0.941 17842 1946 1 3 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.367 -0.985 17842 1947 1 3 . 1 1 94 94 GLY H H 95 8.256 8.256 8.241 0.015 17842 1948 1 3 . 1 1 95 95 GLY N N 96 110.432 110.432 110.002 0.430 17842 1949 1 3 . 1 1 95 95 GLY C C 96 171.826 171.826 172.057 -0.231 17842 1950 1 3 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.995 0.891 17842 1951 1 3 . 1 1 95 95 GLY H H 96 9.005 9.005 8.784 0.221 17842 1952 1 3 . 1 1 96 96 ALA N N 97 117.509 117.509 122.085 -4.576 17842 1953 1 3 . 1 1 96 96 ALA C C 97 176.928 176.928 175.691 1.237 17842 1954 1 3 . 1 1 96 96 ALA CA C 97 49.401 49.401 49.869 -0.468 17842 1955 1 3 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.054 1.371 17842 1956 1 3 . 1 1 96 96 ALA H H 97 8.039 8.039 8.164 -0.125 17842 1957 1 3 . 1 1 97 97 THR N N 98 118.891 118.891 114.620 4.271 17842 1958 1 3 . 1 1 97 97 THR C C 98 172.492 172.492 172.756 -0.264 17842 1959 1 3 . 1 1 97 97 THR CA C 98 61.730 61.730 60.698 1.032 17842 1960 1 3 . 1 1 97 97 THR CB C 98 73.046 73.046 71.050 1.996 17842 1961 1 3 . 1 1 97 97 THR H H 98 8.379 8.379 8.333 0.046 17842 1962 1 3 . 1 1 98 98 LEU N N 99 124.958 124.958 126.398 -1.440 17842 1963 1 3 . 1 1 98 98 LEU C C 99 175.753 175.753 174.398 1.355 17842 1964 1 3 . 1 1 98 98 LEU CA C 99 53.474 53.474 54.695 -1.221 17842 1965 1 3 . 1 1 98 98 LEU CB C 99 47.243 47.243 45.402 1.841 17842 1966 1 3 . 1 1 98 98 LEU H H 99 8.880 8.880 8.902 -0.022 17842 1967 1 3 . 1 1 99 99 GLY N N 100 106.645 106.645 112.373 -5.728 17842 1968 1 3 . 1 1 99 99 GLY C C 100 169.886 169.886 172.227 -2.341 17842 1969 1 3 . 1 1 99 99 GLY CA C 100 46.631 46.631 43.714 2.917 17842 1970 1 3 . 1 1 99 99 GLY H H 100 8.635 8.635 7.687 0.948 17842 1971 1 3 . 1 1 100 100 LEU N N 101 121.823 121.823 119.275 2.548 17842 1972 1 3 . 1 1 100 100 LEU C C 101 174.876 174.876 175.071 -0.195 17842 1973 1 3 . 1 1 100 100 LEU CA C 101 53.071 53.071 55.053 -1.982 17842 1974 1 3 . 1 1 100 100 LEU CB C 101 46.646 46.646 46.603 0.043 17842 1975 1 3 . 1 1 100 100 LEU H H 101 9.088 9.088 8.290 0.798 17842 1976 1 3 . 1 1 101 101 VAL N N 102 118.857 118.857 123.929 -5.072 17842 1977 1 3 . 1 1 101 101 VAL C C 102 174.015 174.015 175.136 -1.121 17842 1978 1 3 . 1 1 101 101 VAL CA C 102 59.666 59.666 60.683 -1.017 17842 1979 1 3 . 1 1 101 101 VAL CB C 102 35.406 35.406 32.341 3.065 17842 1980 1 3 . 1 1 101 101 VAL H H 102 8.291 8.291 8.322 -0.031 17842 1981 1 3 . 1 1 102 102 LYS N N 103 126.552 126.552 126.516 0.036 17842 1982 1 3 . 1 1 102 102 LYS C C 103 174.712 174.712 174.380 0.332 17842 1983 1 3 . 1 1 102 102 LYS CA C 103 54.433 54.433 54.953 -0.520 17842 1984 1 3 . 1 1 102 102 LYS CB C 103 35.733 35.733 36.361 -0.628 17842 1985 1 3 . 1 1 102 102 LYS H H 103 9.141 9.141 7.921 1.220 17842 1986 1 3 . 1 1 103 103 LEU N N 104 129.605 129.605 122.611 6.994 17842 1987 1 3 . 1 1 103 103 LEU C C 104 175.344 175.344 176.182 -0.838 17842 1988 1 3 . 1 1 103 103 LEU CA C 104 53.492 53.492 53.798 -0.306 17842 1989 1 3 . 1 1 103 103 LEU CB C 104 45.004 45.004 45.807 -0.803 17842 1990 1 3 . 1 1 103 103 LEU H H 104 8.921 8.921 8.482 0.439 17842 1991 1 3 . 1 1 104 104 GLU C C 105 174.715 174.715 175.359 -0.644 17842 1992 1 3 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.694 -1.068 17842 1993 1 3 . 1 1 104 104 GLU CB C 105 33.055 33.055 31.761 1.294 17842 1994 1 3 . 1 1 105 105 GLN N N 106 121.991 121.991 125.245 -3.254 17842 1995 1 3 . 1 1 105 105 GLN C C 106 175.002 175.002 175.119 -0.117 17842 1996 1 3 . 1 1 105 105 GLN CA C 106 54.679 54.679 54.832 -0.153 17842 1997 1 3 . 1 1 105 105 GLN CB C 106 30.252 30.252 30.536 -0.284 17842 1998 1 3 . 1 1 105 105 GLN H H 106 8.532 8.532 8.458 0.074 17842 1999 1 3 . 1 1 106 106 ASP N N 107 123.884 123.884 118.544 5.340 17842 2000 1 3 . 1 1 106 106 ASP C C 107 176.352 176.352 175.559 0.793 17842 2001 1 3 . 1 1 106 106 ASP CA C 107 54.108 54.108 53.687 0.421 17842 2002 1 3 . 1 1 106 106 ASP CB C 107 41.448 41.448 42.032 -0.584 17842 2003 1 3 . 1 1 106 106 ASP H H 107 8.414 8.414 8.487 -0.073 17842 2004 1 3 . 1 1 107 107 GLY N N 108 110.294 110.294 111.544 -1.250 17842 2005 1 3 . 1 1 107 107 GLY C C 108 174.111 174.111 174.069 0.042 17842 2006 1 3 . 1 1 107 107 GLY CA C 108 44.992 44.992 45.403 -0.411 17842 2007 1 3 . 1 1 107 107 GLY H H 108 8.226 8.226 8.491 -0.265 17842 2008 1 3 . 1 1 108 108 LYS N N 109 121.045 121.045 120.934 0.111 17842 2009 1 3 . 1 1 108 108 LYS C C 109 176.988 176.988 177.898 -0.910 17842 2010 1 3 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.311 -0.068 17842 2011 1 3 . 1 1 108 108 LYS CB C 109 31.957 31.957 32.759 -0.802 17842 2012 1 3 . 1 1 108 108 LYS H H 109 8.130 8.130 8.500 -0.370 17842 2013 1 3 . 1 1 109 109 GLY N N 110 109.975 109.975 110.491 -0.516 17842 2014 1 3 . 1 1 109 109 GLY C C 110 173.856 173.856 174.867 -1.011 17842 2015 1 3 . 1 1 109 109 GLY CA C 110 44.969 44.969 45.378 -0.409 17842 2016 1 3 . 1 1 109 109 GLY H H 110 8.313 8.313 7.937 0.376 17842 2017 1 3 . 1 1 110 110 PHE N N 111 119.873 119.873 122.650 -2.777 17842 2018 1 3 . 1 1 110 110 PHE C C 111 175.195 175.195 175.137 0.058 17842 2019 1 3 . 1 1 110 110 PHE CA C 111 57.334 57.334 57.935 -0.601 17842 2020 1 3 . 1 1 110 110 PHE CB C 111 39.311 39.311 40.053 -0.742 17842 2021 1 3 . 1 1 110 110 PHE H H 111 7.848 7.848 8.190 -0.342 17842 2022 1 3 . 1 1 111 111 LYS N N 112 122.900 122.900 120.707 2.193 17842 2023 1 3 . 1 1 111 111 LYS C C 112 175.898 175.898 175.598 0.300 17842 2024 1 3 . 1 1 111 111 LYS CA C 112 55.928 55.928 55.591 0.337 17842 2025 1 3 . 1 1 111 111 LYS CB C 112 32.741 32.741 34.496 -1.755 17842 2026 1 3 . 1 1 111 111 LYS H H 112 8.073 8.073 8.565 -0.492 17842 2027 1 3 . 1 1 112 112 ARG N N 113 123.302 123.302 119.843 3.459 17842 2028 1 3 . 1 1 112 112 ARG C C 113 175.762 175.762 176.649 -0.887 17842 2029 1 3 . 1 1 112 112 ARG CA C 113 55.877 55.877 57.687 -1.810 17842 2030 1 3 . 1 1 112 112 ARG CB C 113 30.678 30.678 29.849 0.829 17842 2031 1 3 . 1 1 112 112 ARG H H 113 8.277 8.277 8.577 -0.300 17842 2032 1 3 . 1 1 113 113 ASP N N 114 122.193 122.193 117.175 5.018 17842 2033 1 3 . 1 1 113 113 ASP C C 114 175.875 175.875 175.626 0.249 17842 2034 1 3 . 1 1 113 113 ASP CA C 114 54.219 54.219 55.854 -1.635 17842 2035 1 3 . 1 1 113 113 ASP CB C 114 41.279 41.279 40.698 0.581 17842 2036 1 3 . 1 1 113 113 ASP H H 114 8.300 8.300 8.677 -0.377 17842 2037 1 3 . 1 1 114 114 SER N N 115 114.844 114.844 114.675 0.169 17842 2038 1 3 . 1 1 114 114 SER C C 115 173.567 173.567 173.241 0.326 17842 2039 1 3 . 1 1 114 114 SER CA C 115 57.538 57.538 59.535 -1.997 17842 2040 1 3 . 1 1 114 114 SER CB C 115 64.306 64.306 63.151 1.155 17842 2041 1 3 . 1 1 114 114 SER H H 115 8.071 8.071 8.428 -0.357 17842 2042 1 3 . 1 1 115 115 ASP N N 116 122.371 122.371 123.359 -0.988 17842 2043 1 3 . 1 1 115 115 ASP C C 116 175.096 175.096 175.964 -0.868 17842 2044 1 3 . 1 1 115 115 ASP CA C 116 53.960 53.960 53.617 0.343 17842 2045 1 3 . 1 1 115 115 ASP CB C 116 42.394 42.394 39.888 2.506 17842 2046 1 3 . 1 1 115 115 ASP H H 116 8.400 8.400 8.523 -0.123 17842 2047 1 3 . 1 1 116 116 VAL N N 117 120.462 120.462 117.925 2.537 17842 2048 1 3 . 1 1 116 116 VAL C C 117 175.349 175.349 175.773 -0.424 17842 2049 1 3 . 1 1 116 116 VAL CA C 117 60.785 60.785 59.907 0.878 17842 2050 1 3 . 1 1 116 116 VAL CB C 117 33.507 33.507 32.622 0.885 17842 2051 1 3 . 1 1 116 116 VAL H H 117 8.014 8.014 7.364 0.650 17842 2052 1 3 . 1 1 117 117 GLY N N 118 112.807 112.807 110.708 2.099 17842 2053 1 3 . 1 1 117 117 GLY C C 118 172.079 172.079 172.291 -0.212 17842 2054 1 3 . 1 1 117 117 GLY CA C 118 43.255 43.255 45.655 -2.400 17842 2055 1 3 . 1 1 117 117 GLY H H 118 8.871 8.871 7.760 1.111 17842 2056 1 3 . 1 1 118 118 TYR N N 119 117.704 117.704 119.298 -1.594 17842 2057 1 3 . 1 1 118 118 TYR C C 119 175.024 175.024 173.836 1.188 17842 2058 1 3 . 1 1 118 118 TYR CA C 119 55.968 55.968 57.635 -1.667 17842 2059 1 3 . 1 1 118 118 TYR CB C 119 41.089 41.089 43.419 -2.330 17842 2060 1 3 . 1 1 118 118 TYR H H 119 8.406 8.406 8.922 -0.516 17842 2061 1 3 . 1 1 119 119 ALA N N 120 122.050 122.050 125.652 -3.602 17842 2062 1 3 . 1 1 119 119 ALA C C 120 175.218 175.218 175.519 -0.301 17842 2063 1 3 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.813 -0.152 17842 2064 1 3 . 1 1 119 119 ALA CB C 120 23.187 23.187 21.693 1.494 17842 2065 1 3 . 1 1 119 119 ALA H H 120 8.605 8.605 8.056 0.549 17842 2066 1 3 . 1 1 120 120 ALA N N 121 119.839 119.839 124.617 -4.778 17842 2067 1 3 . 1 1 120 120 ALA C C 121 175.881 175.881 175.785 0.096 17842 2068 1 3 . 1 1 120 120 ALA CA C 121 50.340 50.340 51.585 -1.245 17842 2069 1 3 . 1 1 120 120 ALA CB C 121 22.465 22.465 22.289 0.176 17842 2070 1 3 . 1 1 120 120 ALA H H 121 8.476 8.476 8.039 0.437 17842 2071 1 3 . 1 1 121 121 GLY N N 122 107.807 107.807 109.241 -1.434 17842 2072 1 3 . 1 1 121 121 GLY C C 122 171.191 171.191 172.007 -0.816 17842 2073 1 3 . 1 1 121 121 GLY CA C 122 46.065 46.065 46.125 -0.060 17842 2074 1 3 . 1 1 121 121 GLY H H 122 8.931 8.931 8.877 0.054 17842 2075 1 3 . 1 1 122 122 LEU N N 123 118.400 118.400 115.790 2.610 17842 2076 1 3 . 1 1 122 122 LEU C C 123 174.684 174.684 174.162 0.522 17842 2077 1 3 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.525 -1.298 17842 2078 1 3 . 1 1 122 122 LEU CB C 123 48.385 48.385 45.929 2.456 17842 2079 1 3 . 1 1 122 122 LEU H H 123 8.351 8.351 9.061 -0.710 17842 2080 1 3 . 1 1 123 123 GLN N N 124 113.455 113.455 115.908 -2.453 17842 2081 1 3 . 1 1 123 123 GLN C C 124 173.895 173.895 174.038 -0.143 17842 2082 1 3 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.782 -0.778 17842 2083 1 3 . 1 1 123 123 GLN CB C 124 28.135 28.135 32.955 -4.820 17842 2084 1 3 . 1 1 123 123 GLN H H 124 8.159 8.159 8.662 -0.503 17842 2085 1 3 . 1 1 124 124 ALA N N 125 118.711 118.711 119.755 -1.044 17842 2086 1 3 . 1 1 124 124 ALA C C 125 174.962 174.962 174.660 0.302 17842 2087 1 3 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.737 -1.941 17842 2088 1 3 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.543 0.463 17842 2089 1 3 . 1 1 124 124 ALA H H 125 8.638 8.638 8.548 0.090 17842 2090 1 3 . 1 1 125 125 GLY N N 126 103.783 103.783 106.580 -2.797 17842 2091 1 3 . 1 1 125 125 GLY C C 126 170.390 170.390 171.214 -0.824 17842 2092 1 3 . 1 1 125 125 GLY CA C 126 46.410 46.410 44.200 2.211 17842 2093 1 3 . 1 1 125 125 GLY H H 126 7.103 7.103 6.484 0.619 17842 2094 1 3 . 1 1 126 126 ILE N N 127 118.306 118.306 114.728 3.578 17842 2095 1 3 . 1 1 126 126 ILE C C 127 172.353 172.353 174.334 -1.981 17842 2096 1 3 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.254 -1.661 17842 2097 1 3 . 1 1 126 126 ILE CB C 127 42.164 42.164 40.832 1.332 17842 2098 1 3 . 1 1 126 126 ILE H H 127 8.564 8.564 7.641 0.923 17842 2099 1 3 . 1 1 127 127 LEU N N 128 129.339 129.339 128.196 1.143 17842 2100 1 3 . 1 1 127 127 LEU C C 128 173.613 173.613 176.331 -2.718 17842 2101 1 3 . 1 1 127 127 LEU CA C 128 53.528 53.528 53.923 -0.395 17842 2102 1 3 . 1 1 127 127 LEU CB C 128 46.804 46.804 42.968 3.836 17842 2103 1 3 . 1 1 127 127 LEU H H 128 9.236 9.236 8.330 0.906 17842 2104 1 3 . 1 1 128 128 GLN N N 129 126.801 126.801 125.646 1.155 17842 2105 1 3 . 1 1 128 128 GLN C C 129 175.093 175.093 174.596 0.497 17842 2106 1 3 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.644 -1.450 17842 2107 1 3 . 1 1 128 128 GLN CB C 129 30.947 30.947 32.350 -1.403 17842 2108 1 3 . 1 1 128 128 GLN H H 129 9.352 9.352 9.274 0.078 17842 2109 1 3 . 1 1 129 129 GLU N N 130 126.822 126.822 121.900 4.922 17842 2110 1 3 . 1 1 129 129 GLU C C 130 176.651 176.651 176.049 0.602 17842 2111 1 3 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.733 0.447 17842 2112 1 3 . 1 1 129 129 GLU CB C 130 27.761 27.761 32.189 -4.428 17842 2113 1 3 . 1 1 129 129 GLU H H 130 8.518 8.518 8.722 -0.204 17842 2114 1 3 . 1 1 130 130 LEU N N 131 126.031 126.031 120.395 5.636 17842 2115 1 3 . 1 1 130 130 LEU C C 131 176.044 176.044 177.454 -1.410 17842 2116 1 3 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.467 -0.292 17842 2117 1 3 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.457 0.398 17842 2118 1 3 . 1 1 130 130 LEU H H 131 8.708 8.708 8.567 0.141 17842 2119 1 3 . 1 1 131 131 SER N N 132 113.049 113.049 113.107 -0.058 17842 2120 1 3 . 1 1 131 131 SER C C 132 174.092 174.092 173.667 0.425 17842 2121 1 3 . 1 1 131 131 SER CA C 132 55.993 55.993 57.854 -1.861 17842 2122 1 3 . 1 1 131 131 SER CB C 132 64.945 64.945 64.013 0.932 17842 2123 1 3 . 1 1 131 131 SER H H 132 8.282 8.282 7.935 0.347 17842 2124 1 3 . 1 1 132 132 LYS C C 133 176.346 176.346 175.657 0.689 17842 2125 1 3 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.609 1.888 17842 2126 1 3 . 1 1 132 132 LYS CB C 133 31.009 31.009 30.878 0.131 17842 2127 1 3 . 1 1 133 133 ASN N N 134 110.795 110.795 116.505 -5.710 17842 2128 1 3 . 1 1 133 133 ASN C C 134 173.897 173.897 173.948 -0.051 17842 2129 1 3 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.473 0.105 17842 2130 1 3 . 1 1 133 133 ASN CB C 134 40.830 40.830 41.557 -0.727 17842 2131 1 3 . 1 1 133 133 ASN H H 134 7.761 7.761 8.258 -0.497 17842 2132 1 3 . 1 1 134 134 ALA N N 135 122.181 122.181 121.498 0.683 17842 2133 1 3 . 1 1 134 134 ALA C C 135 176.250 176.250 174.967 1.283 17842 2134 1 3 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.927 -0.770 17842 2135 1 3 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.586 0.547 17842 2136 1 3 . 1 1 134 134 ALA H H 135 7.562 7.562 7.867 -0.305 17842 2137 1 3 . 1 1 135 135 SER N N 136 114.617 114.617 114.781 -0.164 17842 2138 1 3 . 1 1 135 135 SER C C 136 172.507 172.507 173.609 -1.102 17842 2139 1 3 . 1 1 135 135 SER CA C 136 56.164 56.164 56.102 0.062 17842 2140 1 3 . 1 1 135 135 SER CB C 136 66.255 66.255 65.540 0.715 17842 2141 1 3 . 1 1 135 135 SER H H 136 8.717 8.717 8.308 0.409 17842 2142 1 3 . 1 1 136 136 ILE N N 137 114.495 114.495 121.906 -7.411 17842 2143 1 3 . 1 1 136 136 ILE C C 137 173.136 173.136 173.057 0.079 17842 2144 1 3 . 1 1 136 136 ILE CA C 137 58.420 58.420 59.636 -1.216 17842 2145 1 3 . 1 1 136 136 ILE CB C 137 42.700 42.700 41.977 0.723 17842 2146 1 3 . 1 1 136 136 ILE H H 137 8.592 8.592 9.239 -0.647 17842 2147 1 3 . 1 1 137 137 GLU N N 138 122.016 122.016 128.421 -6.405 17842 2148 1 3 . 1 1 137 137 GLU C C 138 173.792 173.792 174.981 -1.189 17842 2149 1 3 . 1 1 137 137 GLU CA C 138 53.537 53.537 53.463 0.074 17842 2150 1 3 . 1 1 137 137 GLU CB C 138 35.118 35.118 34.264 0.854 17842 2151 1 3 . 1 1 137 137 GLU H H 138 8.902 8.902 9.190 -0.288 17842 2152 1 3 . 1 1 138 138 GLY N N 139 107.847 107.847 110.484 -2.637 17842 2153 1 3 . 1 1 138 138 GLY C C 139 171.817 171.817 172.510 -0.693 17842 2154 1 3 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.348 -1.278 17842 2155 1 3 . 1 1 138 138 GLY H H 139 8.485 8.485 8.073 0.412 17842 2156 1 3 . 1 1 139 139 GLY N N 140 108.290 108.290 111.032 -2.742 17842 2157 1 3 . 1 1 139 139 GLY C C 140 169.172 169.172 171.400 -2.228 17842 2158 1 3 . 1 1 139 139 GLY CA C 140 45.714 45.714 44.872 0.842 17842 2159 1 3 . 1 1 139 139 GLY H H 140 7.841 7.841 8.360 -0.519 17842 2160 1 3 . 1 1 140 140 TYR N N 141 119.674 119.674 116.679 2.995 17842 2161 1 3 . 1 1 140 140 TYR C C 141 173.643 173.643 173.909 -0.266 17842 2162 1 3 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.483 -1.304 17842 2163 1 3 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.502 -0.358 17842 2164 1 3 . 1 1 140 140 TYR H H 141 8.726 8.726 8.654 0.072 17842 2165 1 3 . 1 1 141 141 ARG N N 142 125.021 125.021 119.875 5.146 17842 2166 1 3 . 1 1 141 141 ARG C C 142 173.533 173.533 173.055 0.478 17842 2167 1 3 . 1 1 141 141 ARG CA C 142 53.813 53.813 55.336 -1.523 17842 2168 1 3 . 1 1 141 141 ARG CB C 142 33.239 33.239 34.682 -1.443 17842 2169 1 3 . 1 1 141 141 ARG H H 142 8.502 8.502 8.378 0.124 17842 2170 1 3 . 1 1 142 142 TYR N N 143 128.805 128.805 122.707 6.098 17842 2171 1 3 . 1 1 142 142 TYR C C 143 173.475 173.475 174.155 -0.680 17842 2172 1 3 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.883 -0.455 17842 2173 1 3 . 1 1 142 142 TYR CB C 143 41.642 41.642 41.122 0.520 17842 2174 1 3 . 1 1 142 142 TYR H H 143 8.978 8.978 9.215 -0.237 17842 2175 1 3 . 1 1 143 143 LEU N N 144 125.513 125.513 117.753 7.760 17842 2176 1 3 . 1 1 143 143 LEU C C 144 175.370 175.370 174.770 0.600 17842 2177 1 3 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.649 -1.756 17842 2178 1 3 . 1 1 143 143 LEU CB C 144 45.924 45.924 45.367 0.557 17842 2179 1 3 . 1 1 143 143 LEU H H 144 8.117 8.117 8.679 -0.562 17842 2180 1 3 . 1 1 144 144 ARG N N 145 122.193 122.193 118.620 3.573 17842 2181 1 3 . 1 1 144 144 ARG C C 145 175.452 175.452 175.839 -0.387 17842 2182 1 3 . 1 1 144 144 ARG CA C 145 54.077 54.077 54.902 -0.825 17842 2183 1 3 . 1 1 144 144 ARG CB C 145 31.377 31.377 32.513 -1.136 17842 2184 1 3 . 1 1 144 144 ARG H H 145 8.810 8.810 8.923 -0.113 17842 2185 1 3 . 1 1 145 145 THR C C 146 172.708 172.708 174.007 -1.299 17842 2186 1 3 . 1 1 145 145 THR CA C 146 59.117 59.117 61.883 -2.766 17842 2187 1 3 . 1 1 145 145 THR CB C 146 70.345 70.345 69.738 0.607 17842 2188 1 3 . 1 1 146 146 ASN N N 147 120.236 120.236 124.618 -4.382 17842 2189 1 3 . 1 1 146 146 ASN C C 147 175.341 175.341 174.224 1.117 17842 2190 1 3 . 1 1 146 146 ASN CA C 147 51.880 51.880 52.836 -0.956 17842 2191 1 3 . 1 1 146 146 ASN CB C 147 38.462 38.462 41.741 -3.279 17842 2192 1 3 . 1 1 146 146 ASN H H 147 8.259 8.259 8.460 -0.201 17842 2193 1 3 . 1 1 147 147 ALA N N 148 124.724 124.724 124.629 0.095 17842 2194 1 3 . 1 1 147 147 ALA C C 148 176.378 176.378 176.882 -0.504 17842 2195 1 3 . 1 1 147 147 ALA CA C 148 52.179 52.179 52.813 -0.634 17842 2196 1 3 . 1 1 147 147 ALA CB C 148 18.626 18.626 20.389 -1.763 17842 2197 1 3 . 1 1 147 147 ALA H H 148 8.256 8.256 8.596 -0.340 17842 2198 1 3 . 1 1 148 148 SER N N 149 115.670 115.670 113.615 2.055 17842 2199 1 3 . 1 1 148 148 SER C C 149 174.123 174.123 173.770 0.353 17842 2200 1 3 . 1 1 148 148 SER CA C 149 57.281 57.281 57.884 -0.603 17842 2201 1 3 . 1 1 148 148 SER CB C 149 64.685 64.685 65.055 -0.370 17842 2202 1 3 . 1 1 148 148 SER H H 149 8.372 8.372 7.899 0.473 17842 2203 1 3 . 1 1 149 149 THR N N 150 115.292 115.292 116.284 -0.992 17842 2204 1 3 . 1 1 149 149 THR C C 150 173.858 173.858 174.376 -0.518 17842 2205 1 3 . 1 1 149 149 THR CA C 150 61.189 61.189 62.891 -1.702 17842 2206 1 3 . 1 1 149 149 THR CB C 150 69.105 69.105 68.966 0.140 17842 2207 1 3 . 1 1 149 149 THR H H 150 8.228 8.228 8.067 0.161 17842 2208 1 3 . 1 1 150 150 GLU N N 151 123.244 123.244 124.091 -0.847 17842 2209 1 3 . 1 1 150 150 GLU C C 151 176.121 176.121 176.770 -0.649 17842 2210 1 3 . 1 1 150 150 GLU CA C 151 56.002 56.002 56.264 -0.262 17842 2211 1 3 . 1 1 150 150 GLU CB C 151 29.931 29.931 29.115 0.816 17842 2212 1 3 . 1 1 150 150 GLU H H 151 8.186 8.186 8.367 -0.181 17842 2213 1 3 . 1 1 151 151 MET N N 152 121.600 121.600 124.949 -3.349 17842 2214 1 3 . 1 1 151 151 MET C C 152 175.810 175.810 176.760 -0.950 17842 2215 1 3 . 1 1 151 151 MET CA C 152 55.254 55.254 57.399 -2.145 17842 2216 1 3 . 1 1 151 151 MET CB C 152 33.247 33.247 32.952 0.295 17842 2217 1 3 . 1 1 151 151 MET H H 152 8.248 8.248 8.574 -0.326 17842 2218 1 3 . 1 1 152 152 THR N N 153 117.486 117.486 108.493 8.993 17842 2219 1 3 . 1 1 152 152 THR C C 153 172.907 172.907 173.037 -0.130 17842 2220 1 3 . 1 1 152 152 THR CA C 153 59.365 59.365 58.427 0.938 17842 2221 1 3 . 1 1 152 152 THR CB C 153 69.366 69.366 70.777 -1.411 17842 2222 1 3 . 1 1 152 152 THR H H 153 8.113 8.113 7.660 0.453 17842 2223 1 3 . 1 1 155 155 GLY C C 156 174.620 174.620 173.574 1.046 17842 2224 1 3 . 1 1 155 155 GLY CA C 156 45.280 45.280 45.229 0.051 17842 2225 1 3 . 1 1 156 156 GLY N N 157 109.059 109.059 108.366 0.693 17842 2226 1 3 . 1 1 156 156 GLY C C 157 173.801 173.801 172.237 1.564 17842 2227 1 3 . 1 1 156 156 GLY CA C 157 44.929 44.929 44.419 0.510 17842 2228 1 3 . 1 1 156 156 GLY H H 157 8.175 8.175 7.830 0.345 17842 2229 1 3 . 1 1 157 157 ASN N N 158 118.630 118.630 119.479 -0.849 17842 2230 1 3 . 1 1 157 157 ASN C C 158 175.025 175.025 175.227 -0.202 17842 2231 1 3 . 1 1 157 157 ASN CA C 158 52.791 52.791 52.695 0.096 17842 2232 1 3 . 1 1 157 157 ASN CB C 158 38.532 38.532 40.235 -1.703 17842 2233 1 3 . 1 1 157 157 ASN H H 158 8.114 8.114 8.421 -0.307 17842 2234 1 3 . 1 1 158 158 LYS N N 159 121.755 121.755 124.855 -3.100 17842 2235 1 3 . 1 1 158 158 LYS C C 159 176.361 176.361 175.926 0.435 17842 2236 1 3 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.671 -0.199 17842 2237 1 3 . 1 1 158 158 LYS CB C 159 32.403 32.403 33.244 -0.841 17842 2238 1 3 . 1 1 158 158 LYS H H 159 8.169 8.169 8.508 -0.339 17842 2239 1 3 . 1 1 159 159 LEU N N 160 123.084 123.084 121.671 1.413 17842 2240 1 3 . 1 1 159 159 LEU C C 160 177.408 177.408 176.429 0.979 17842 2241 1 3 . 1 1 159 159 LEU CA C 160 55.162 55.162 54.702 0.460 17842 2242 1 3 . 1 1 159 159 LEU CB C 160 42.690 42.690 41.342 1.348 17842 2243 1 3 . 1 1 159 159 LEU H H 160 8.173 8.173 8.356 -0.183 17842 2244 1 3 . 1 1 160 160 GLY N N 161 109.180 109.180 111.657 -2.477 17842 2245 1 3 . 1 1 160 160 GLY C C 161 173.574 173.574 173.239 0.335 17842 2246 1 3 . 1 1 160 160 GLY CA C 161 44.877 44.877 44.962 -0.085 17842 2247 1 3 . 1 1 160 160 GLY H H 161 8.117 8.117 8.179 -0.062 17842 2248 1 3 . 1 1 161 161 SER N N 162 115.719 115.719 113.742 1.977 17842 2249 1 3 . 1 1 161 161 SER C C 162 173.715 173.715 174.509 -0.794 17842 2250 1 3 . 1 1 161 161 SER CA C 162 57.965 57.965 57.768 0.197 17842 2251 1 3 . 1 1 161 161 SER CB C 162 63.856 63.856 64.470 -0.614 17842 2252 1 3 . 1 1 161 161 SER H H 162 8.064 8.064 7.717 0.347 17842 2253 1 3 . 1 1 162 162 LEU N N 163 123.433 123.433 121.705 1.728 17842 2254 1 3 . 1 1 162 162 LEU C C 163 175.609 175.609 175.725 -0.116 17842 2255 1 3 . 1 1 162 162 LEU CA C 163 54.385 54.385 56.556 -2.171 17842 2256 1 3 . 1 1 162 162 LEU CB C 163 43.046 43.046 41.706 1.340 17842 2257 1 3 . 1 1 162 162 LEU H H 163 8.282 8.282 8.659 -0.377 17842 2258 1 3 . 1 1 163 163 ASP N N 164 122.223 122.223 120.784 1.439 17842 2259 1 3 . 1 1 163 163 ASP C C 164 175.122 175.122 176.704 -1.582 17842 2260 1 3 . 1 1 163 163 ASP CA C 164 53.400 53.400 55.520 -2.120 17842 2261 1 3 . 1 1 163 163 ASP CB C 164 41.200 41.200 40.330 0.870 17842 2262 1 3 . 1 1 163 163 ASP H H 164 8.356 8.356 8.274 0.082 17842 2263 1 3 . 1 1 166 166 SER C C 167 172.472 172.472 173.415 -0.943 17842 2264 1 3 . 1 1 166 166 SER CA C 167 56.760 56.760 57.610 -0.850 17842 2265 1 3 . 1 1 167 167 SER N N 168 115.939 115.939 118.042 -2.103 17842 2266 1 3 . 1 1 167 167 SER C C 168 173.318 173.318 173.034 0.284 17842 2267 1 3 . 1 1 167 167 SER CA C 168 56.763 56.763 57.128 -0.365 17842 2268 1 3 . 1 1 167 167 SER CB C 168 65.286 65.286 64.364 0.922 17842 2269 1 3 . 1 1 167 167 SER H H 168 8.678 8.678 8.559 0.119 17842 2270 1 3 . 1 1 168 168 SER C C 169 172.500 172.500 173.197 -0.697 17842 2271 1 3 . 1 1 168 168 SER CA C 169 56.569 56.569 58.270 -1.701 17842 2272 1 3 . 1 1 168 168 SER CB C 169 65.738 65.738 64.687 1.051 17842 2273 1 3 . 1 1 169 169 GLN N N 170 122.951 122.951 123.219 -0.268 17842 2274 1 3 . 1 1 169 169 GLN C C 170 174.697 174.697 174.259 0.438 17842 2275 1 3 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.765 -0.727 17842 2276 1 3 . 1 1 169 169 GLN CB C 170 32.383 32.383 33.226 -0.843 17842 2277 1 3 . 1 1 169 169 GLN H H 170 8.745 8.745 7.736 1.009 17842 2278 1 3 . 1 1 170 170 PHE N N 171 125.628 125.628 121.033 4.595 17842 2279 1 3 . 1 1 170 170 PHE C C 171 174.628 174.628 174.593 0.035 17842 2280 1 3 . 1 1 170 170 PHE CA C 171 56.200 56.200 57.057 -0.857 17842 2281 1 3 . 1 1 170 170 PHE CB C 171 41.552 41.552 43.425 -1.873 17842 2282 1 3 . 1 1 170 170 PHE H H 171 7.771 7.771 8.332 -0.561 17842 2283 1 3 . 1 1 171 171 TYR N N 172 121.558 121.558 121.762 -0.204 17842 2284 1 3 . 1 1 171 171 TYR C C 172 171.727 171.727 174.100 -2.373 17842 2285 1 3 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.030 -0.984 17842 2286 1 3 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.112 0.327 17842 2287 1 3 . 1 1 171 171 TYR H H 172 8.696 8.696 8.683 0.013 17842 2288 1 3 . 1 1 172 172 LEU N N 173 119.230 119.230 126.365 -7.135 17842 2289 1 3 . 1 1 172 172 LEU C C 173 176.352 176.352 174.788 1.564 17842 2290 1 3 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.854 -2.111 17842 2291 1 3 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.365 0.172 17842 2292 1 3 . 1 1 172 172 LEU H H 173 8.971 8.971 8.491 0.480 17842 2293 1 3 . 1 1 173 173 GLY N N 174 107.248 107.248 110.324 -3.076 17842 2294 1 3 . 1 1 173 173 GLY C C 174 170.680 170.680 171.908 -1.228 17842 2295 1 3 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.282 -1.362 17842 2296 1 3 . 1 1 173 173 GLY H H 174 9.085 9.085 8.940 0.145 17842 2297 1 3 . 1 1 174 174 ALA N N 175 121.461 121.461 121.525 -0.064 17842 2298 1 3 . 1 1 174 174 ALA C C 175 174.546 174.546 175.622 -1.076 17842 2299 1 3 . 1 1 174 174 ALA CA C 175 50.312 50.312 49.989 0.323 17842 2300 1 3 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.403 -0.760 17842 2301 1 3 . 1 1 174 174 ALA H H 175 8.575 8.575 8.039 0.536 17842 2302 1 3 . 1 1 175 175 ASN N N 176 117.370 117.370 116.511 0.859 17842 2303 1 3 . 1 1 175 175 ASN C C 176 173.370 173.370 173.023 0.347 17842 2304 1 3 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.824 -2.225 17842 2305 1 3 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.783 -0.826 17842 2306 1 3 . 1 1 175 175 ASN H H 176 8.762 8.762 8.259 0.503 17842 2307 1 3 . 1 1 176 176 TYR N N 177 122.724 122.724 125.778 -3.054 17842 2308 1 3 . 1 1 176 176 TYR C C 177 173.924 173.924 174.469 -0.545 17842 2309 1 3 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.334 0.104 17842 2310 1 3 . 1 1 176 176 TYR CB C 177 42.401 42.401 41.626 0.775 17842 2311 1 3 . 1 1 176 176 TYR H H 177 9.570 9.570 9.398 0.172 17842 2312 1 3 . 1 1 177 177 LYS N N 178 127.067 127.067 127.275 -0.208 17842 2313 1 3 . 1 1 177 177 LYS C C 178 174.336 174.336 174.993 -0.657 17842 2314 1 3 . 1 1 177 177 LYS CA C 178 54.243 54.243 56.062 -1.819 17842 2315 1 3 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.286 0.665 17842 2316 1 3 . 1 1 177 177 LYS H H 178 8.284 8.284 8.248 0.036 17842 2317 1 4 . 1 1 2 2 ASP N N 3 119.767 119.767 121.614 -1.847 17842 2318 1 4 . 1 1 2 2 ASP C C 3 175.809 175.809 174.318 1.491 17842 2319 1 4 . 1 1 2 2 ASP CA C 3 53.303 53.303 54.098 -0.795 17842 2320 1 4 . 1 1 2 2 ASP CB C 3 42.915 42.915 44.961 -2.046 17842 2321 1 4 . 1 1 2 2 ASP H H 3 8.443 8.443 7.653 0.790 17842 2322 1 4 . 1 1 3 3 ASN N N 4 123.667 123.667 121.644 2.023 17842 2323 1 4 . 1 1 3 3 ASN C C 4 174.736 174.736 174.477 0.259 17842 2324 1 4 . 1 1 3 3 ASN CA C 4 52.911 52.911 53.758 -0.848 17842 2325 1 4 . 1 1 3 3 ASN CB C 4 39.160 39.160 40.169 -1.009 17842 2326 1 4 . 1 1 3 3 ASN H H 4 8.923 8.923 8.706 0.217 17842 2327 1 4 . 1 1 4 4 PHE N N 5 118.447 118.447 116.183 2.264 17842 2328 1 4 . 1 1 4 4 PHE C C 5 172.331 172.331 173.423 -1.092 17842 2329 1 4 . 1 1 4 4 PHE CA C 5 56.052 56.052 55.653 0.399 17842 2330 1 4 . 1 1 4 4 PHE CB C 5 42.863 42.863 42.355 0.508 17842 2331 1 4 . 1 1 4 4 PHE H H 5 8.910 8.910 8.610 0.300 17842 2332 1 4 . 1 1 5 5 VAL N N 6 116.195 116.195 114.133 2.062 17842 2333 1 4 . 1 1 5 5 VAL C C 6 174.144 174.144 174.650 -0.506 17842 2334 1 4 . 1 1 5 5 VAL CA C 6 58.529 58.529 61.109 -2.580 17842 2335 1 4 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.073 0.745 17842 2336 1 4 . 1 1 5 5 VAL H H 6 8.903 8.903 9.201 -0.298 17842 2337 1 4 . 1 1 6 6 GLY N N 7 110.150 110.150 113.756 -3.606 17842 2338 1 4 . 1 1 6 6 GLY C C 7 170.825 170.825 172.019 -1.194 17842 2339 1 4 . 1 1 6 6 GLY CA C 7 46.218 46.218 44.576 1.642 17842 2340 1 4 . 1 1 6 6 GLY H H 7 8.670 8.670 9.009 -0.339 17842 2341 1 4 . 1 1 7 7 LEU N N 8 120.059 120.059 120.554 -0.495 17842 2342 1 4 . 1 1 7 7 LEU C C 8 175.596 175.596 175.397 0.199 17842 2343 1 4 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.417 -1.484 17842 2344 1 4 . 1 1 7 7 LEU CB C 8 47.663 47.663 47.554 0.109 17842 2345 1 4 . 1 1 7 7 LEU H H 8 8.562 8.562 8.147 0.415 17842 2346 1 4 . 1 1 8 8 THR N N 9 112.180 112.180 115.448 -3.268 17842 2347 1 4 . 1 1 8 8 THR C C 9 172.942 172.942 173.071 -0.129 17842 2348 1 4 . 1 1 8 8 THR CA C 9 59.539 59.539 60.109 -0.570 17842 2349 1 4 . 1 1 8 8 THR CB C 9 70.735 70.735 70.588 0.147 17842 2350 1 4 . 1 1 8 8 THR H H 9 9.114 9.114 8.616 0.498 17842 2351 1 4 . 1 1 9 9 TRP N N 10 121.476 121.476 123.509 -2.033 17842 2352 1 4 . 1 1 9 9 TRP C C 10 174.622 174.622 174.323 0.299 17842 2353 1 4 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.822 0.596 17842 2354 1 4 . 1 1 9 9 TRP CB C 10 31.877 31.877 32.806 -0.929 17842 2355 1 4 . 1 1 9 9 TRP H H 10 9.022 9.022 8.266 0.756 17842 2356 1 4 . 1 1 10 10 GLY N N 11 112.750 112.750 112.893 -0.143 17842 2357 1 4 . 1 1 10 10 GLY C C 11 171.655 171.655 172.696 -1.041 17842 2358 1 4 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.426 1.514 17842 2359 1 4 . 1 1 10 10 GLY H H 11 7.798 7.798 8.620 -0.822 17842 2360 1 4 . 1 1 11 11 GLU N N 12 117.292 117.292 123.776 -6.484 17842 2361 1 4 . 1 1 11 11 GLU C C 12 175.810 175.810 175.792 0.018 17842 2362 1 4 . 1 1 11 11 GLU CA C 12 53.743 53.743 55.847 -2.104 17842 2363 1 4 . 1 1 11 11 GLU CB C 12 31.361 31.361 29.509 1.853 17842 2364 1 4 . 1 1 11 11 GLU H H 12 8.223 8.223 8.468 -0.245 17842 2365 1 4 . 1 1 12 12 THR N N 13 123.477 123.477 117.201 6.276 17842 2366 1 4 . 1 1 12 12 THR C C 13 174.233 174.233 173.849 0.384 17842 2367 1 4 . 1 1 12 12 THR CA C 13 61.872 61.872 60.618 1.254 17842 2368 1 4 . 1 1 12 12 THR CB C 13 69.374 69.374 70.587 -1.213 17842 2369 1 4 . 1 1 12 12 THR H H 13 8.722 8.722 7.742 0.980 17842 2370 1 4 . 1 1 13 13 SER N N 14 122.220 122.220 119.718 2.502 17842 2371 1 4 . 1 1 13 13 SER C C 14 173.577 173.577 173.631 -0.054 17842 2372 1 4 . 1 1 13 13 SER CA C 14 56.934 56.934 58.510 -1.576 17842 2373 1 4 . 1 1 13 13 SER CB C 14 64.249 64.249 63.902 0.347 17842 2374 1 4 . 1 1 13 13 SER H H 14 9.225 9.225 8.674 0.551 17842 2375 1 4 . 1 1 14 14 ASN N N 15 125.159 125.159 123.302 1.857 17842 2376 1 4 . 1 1 14 14 ASN C C 15 174.673 174.673 173.922 0.751 17842 2377 1 4 . 1 1 14 14 ASN CA C 15 51.888 51.888 54.202 -2.313 17842 2378 1 4 . 1 1 14 14 ASN CB C 15 39.777 39.777 38.383 1.395 17842 2379 1 4 . 1 1 14 14 ASN H H 15 8.745 8.745 8.826 -0.081 17842 2380 1 4 . 1 1 15 15 ASN N N 16 120.330 120.330 118.521 1.809 17842 2381 1 4 . 1 1 15 15 ASN C C 16 175.886 175.886 175.369 0.517 17842 2382 1 4 . 1 1 15 15 ASN CA C 16 52.780 52.780 52.879 -0.099 17842 2383 1 4 . 1 1 15 15 ASN CB C 16 38.595 38.595 39.941 -1.345 17842 2384 1 4 . 1 1 15 15 ASN H H 16 8.494 8.494 8.403 0.091 17842 2385 1 4 . 1 1 20 20 LYS C C 21 176.705 176.705 176.606 0.099 17842 2386 1 4 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.342 0.341 17842 2387 1 4 . 1 1 21 21 SER N N 22 115.966 115.966 114.967 0.999 17842 2388 1 4 . 1 1 21 21 SER C C 22 174.564 174.564 172.904 1.660 17842 2389 1 4 . 1 1 21 21 SER CA C 22 58.149 58.149 58.586 -0.437 17842 2390 1 4 . 1 1 21 21 SER CB C 22 63.308 63.308 63.539 -0.231 17842 2391 1 4 . 1 1 21 21 SER H H 22 8.053 8.053 8.032 0.021 17842 2392 1 4 . 1 1 22 22 LEU N N 23 123.751 123.751 122.972 0.779 17842 2393 1 4 . 1 1 22 22 LEU C C 23 176.968 176.968 175.984 0.984 17842 2394 1 4 . 1 1 22 22 LEU CA C 23 55.269 55.269 54.598 0.671 17842 2395 1 4 . 1 1 22 22 LEU CB C 23 42.334 42.334 43.915 -1.581 17842 2396 1 4 . 1 1 22 22 LEU H H 23 8.006 8.006 8.372 -0.366 17842 2397 1 4 . 1 1 23 23 ASN N N 24 118.937 118.937 119.326 -0.389 17842 2398 1 4 . 1 1 23 23 ASN C C 24 175.119 175.119 174.510 0.609 17842 2399 1 4 . 1 1 23 23 ASN CA C 24 52.993 52.993 52.439 0.554 17842 2400 1 4 . 1 1 23 23 ASN CB C 24 38.255 38.255 41.458 -3.203 17842 2401 1 4 . 1 1 23 23 ASN H H 24 8.136 8.136 8.581 -0.445 17842 2402 1 4 . 1 1 24 24 ARG N N 25 121.500 121.500 120.341 1.159 17842 2403 1 4 . 1 1 24 24 ARG C C 25 175.849 175.849 176.231 -0.382 17842 2404 1 4 . 1 1 24 24 ARG CA C 25 56.368 56.368 57.024 -0.656 17842 2405 1 4 . 1 1 24 24 ARG CB C 25 30.366 30.366 31.033 -0.667 17842 2406 1 4 . 1 1 24 24 ARG H H 25 8.097 8.097 8.810 -0.713 17842 2407 1 4 . 1 1 25 25 ASN N N 26 119.196 119.196 117.217 1.979 17842 2408 1 4 . 1 1 25 25 ASN C C 26 175.122 175.122 174.140 0.982 17842 2409 1 4 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.040 0.021 17842 2410 1 4 . 1 1 25 25 ASN CB C 26 38.291 38.291 39.603 -1.312 17842 2411 1 4 . 1 1 25 25 ASN H H 26 8.278 8.278 8.301 -0.023 17842 2412 1 4 . 1 1 26 26 LEU N N 27 122.352 122.352 122.002 0.350 17842 2413 1 4 . 1 1 26 26 LEU C C 27 176.903 176.903 175.099 1.804 17842 2414 1 4 . 1 1 26 26 LEU CA C 27 55.326 55.326 54.995 0.331 17842 2415 1 4 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.051 0.135 17842 2416 1 4 . 1 1 26 26 LEU H H 27 7.992 7.992 8.120 -0.128 17842 2417 1 4 . 1 1 27 27 ASN N N 28 118.444 118.444 121.829 -3.385 17842 2418 1 4 . 1 1 27 27 ASN C C 28 174.754 174.754 174.598 0.156 17842 2419 1 4 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.027 -0.067 17842 2420 1 4 . 1 1 27 27 ASN CB C 28 38.419 38.419 38.363 0.056 17842 2421 1 4 . 1 1 27 27 ASN H H 28 8.216 8.216 8.440 -0.224 17842 2422 1 4 . 1 1 28 28 SER N N 29 116.471 116.471 116.887 -0.416 17842 2423 1 4 . 1 1 28 28 SER C C 29 172.778 172.778 173.295 -0.517 17842 2424 1 4 . 1 1 28 28 SER CA C 29 55.982 55.982 56.628 -0.646 17842 2425 1 4 . 1 1 28 28 SER CB C 29 63.179 63.179 65.247 -2.068 17842 2426 1 4 . 1 1 28 28 SER H H 29 7.833 7.833 8.076 -0.243 17842 2427 1 4 . 1 1 29 29 PRO C C 30 176.535 176.535 176.879 -0.344 17842 2428 1 4 . 1 1 29 29 PRO CA C 30 63.458 63.458 64.195 -0.738 17842 2429 1 4 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.015 -0.343 17842 2430 1 4 . 1 1 30 30 ASN N N 31 118.189 118.189 118.050 0.139 17842 2431 1 4 . 1 1 30 30 ASN C C 31 175.075 175.075 174.719 0.356 17842 2432 1 4 . 1 1 30 30 ASN CA C 31 53.051 53.051 52.958 0.093 17842 2433 1 4 . 1 1 30 30 ASN CB C 31 38.277 38.277 36.689 1.588 17842 2434 1 4 . 1 1 30 30 ASN H H 31 8.231 8.231 8.470 -0.239 17842 2435 1 4 . 1 1 31 31 LEU N N 32 122.838 122.838 120.038 2.800 17842 2436 1 4 . 1 1 31 31 LEU C C 32 176.800 176.800 175.482 1.318 17842 2437 1 4 . 1 1 31 31 LEU CA C 32 55.107 55.107 55.790 -0.683 17842 2438 1 4 . 1 1 31 31 LEU CB C 32 42.291 42.291 44.258 -1.967 17842 2439 1 4 . 1 1 31 31 LEU H H 32 8.011 8.011 7.780 0.231 17842 2440 1 4 . 1 1 32 32 ASP N N 33 120.740 120.740 118.978 1.762 17842 2441 1 4 . 1 1 32 32 ASP C C 33 175.863 175.863 175.568 0.295 17842 2442 1 4 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.198 0.133 17842 2443 1 4 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.581 -0.824 17842 2444 1 4 . 1 1 32 32 ASP H H 33 8.151 8.151 8.244 -0.093 17842 2445 1 4 . 1 1 33 33 LYS N N 34 120.746 120.746 122.724 -1.978 17842 2446 1 4 . 1 1 33 33 LYS C C 34 175.912 175.912 177.150 -1.238 17842 2447 1 4 . 1 1 33 33 LYS CA C 34 55.865 55.865 58.232 -2.367 17842 2448 1 4 . 1 1 33 33 LYS CB C 34 32.738 32.738 32.770 -0.033 17842 2449 1 4 . 1 1 33 33 LYS H H 34 7.933 7.933 8.475 -0.542 17842 2450 1 4 . 1 1 34 34 VAL N N 35 121.590 121.590 112.591 8.999 17842 2451 1 4 . 1 1 34 34 VAL C C 35 175.691 175.691 175.247 0.444 17842 2452 1 4 . 1 1 34 34 VAL CA C 35 62.186 62.186 62.965 -0.778 17842 2453 1 4 . 1 1 34 34 VAL CB C 35 32.591 32.591 32.955 -0.364 17842 2454 1 4 . 1 1 34 34 VAL H H 35 7.995 7.995 7.717 0.278 17842 2455 1 4 . 1 1 35 35 ILE N N 36 124.025 124.025 121.570 2.455 17842 2456 1 4 . 1 1 35 35 ILE C C 36 175.266 175.266 174.831 0.435 17842 2457 1 4 . 1 1 35 35 ILE CA C 36 60.495 60.495 61.222 -0.727 17842 2458 1 4 . 1 1 35 35 ILE CB C 36 38.489 38.489 38.046 0.443 17842 2459 1 4 . 1 1 35 35 ILE H H 36 8.034 8.034 7.736 0.298 17842 2460 1 4 . 1 1 36 36 ASP N N 37 125.860 125.860 126.304 -0.444 17842 2461 1 4 . 1 1 36 36 ASP C C 37 175.014 175.014 176.524 -1.510 17842 2462 1 4 . 1 1 36 36 ASP CA C 37 53.719 53.719 55.120 -1.401 17842 2463 1 4 . 1 1 36 36 ASP CB C 37 41.755 41.755 43.042 -1.287 17842 2464 1 4 . 1 1 36 36 ASP H H 37 8.190 8.190 8.963 -0.773 17842 2465 1 4 . 1 1 37 37 ASN N N 38 120.770 120.770 116.825 3.945 17842 2466 1 4 . 1 1 37 37 ASN C C 38 174.821 174.821 174.262 0.559 17842 2467 1 4 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.114 0.044 17842 2468 1 4 . 1 1 37 37 ASN CB C 38 38.663 38.663 38.999 -0.336 17842 2469 1 4 . 1 1 37 37 ASN H H 38 8.334 8.334 8.562 -0.228 17842 2470 1 4 . 1 1 38 38 THR N N 39 115.976 115.976 115.693 0.283 17842 2471 1 4 . 1 1 38 38 THR C C 39 175.226 175.226 173.610 1.616 17842 2472 1 4 . 1 1 38 38 THR CA C 39 62.215 62.215 61.694 0.520 17842 2473 1 4 . 1 1 38 38 THR CB C 39 69.618 69.618 69.138 0.480 17842 2474 1 4 . 1 1 38 38 THR H H 39 8.508 8.508 7.645 0.863 17842 2475 1 4 . 1 1 39 39 GLY N N 40 115.818 115.818 115.273 0.545 17842 2476 1 4 . 1 1 39 39 GLY C C 40 172.862 172.862 173.210 -0.348 17842 2477 1 4 . 1 1 39 39 GLY CA C 40 46.168 46.168 44.906 1.262 17842 2478 1 4 . 1 1 39 39 GLY H H 40 8.819 8.819 8.234 0.585 17842 2479 1 4 . 1 1 40 40 THR N N 41 119.787 119.787 115.822 3.965 17842 2480 1 4 . 1 1 40 40 THR C C 41 172.914 172.914 174.709 -1.795 17842 2481 1 4 . 1 1 40 40 THR CA C 41 61.321 61.321 61.478 -0.157 17842 2482 1 4 . 1 1 40 40 THR CB C 41 71.499 71.499 69.802 1.697 17842 2483 1 4 . 1 1 40 40 THR H H 41 8.117 8.117 7.751 0.366 17842 2484 1 4 . 1 1 41 41 TRP N N 42 128.090 128.090 128.849 -0.759 17842 2485 1 4 . 1 1 41 41 TRP C C 42 174.627 174.627 176.164 -1.537 17842 2486 1 4 . 1 1 41 41 TRP CA C 42 55.122 55.122 57.493 -2.371 17842 2487 1 4 . 1 1 41 41 TRP CB C 42 31.905 31.905 32.241 -0.336 17842 2488 1 4 . 1 1 41 41 TRP H H 42 8.178 8.178 8.407 -0.229 17842 2489 1 4 . 1 1 42 42 GLY N N 43 109.883 109.883 104.254 5.629 17842 2490 1 4 . 1 1 42 42 GLY C C 43 172.317 172.317 172.560 -0.243 17842 2491 1 4 . 1 1 42 42 GLY CA C 43 44.176 44.176 45.328 -1.151 17842 2492 1 4 . 1 1 42 42 GLY H H 43 8.892 8.892 8.343 0.549 17842 2493 1 4 . 1 1 43 43 ILE N N 44 118.005 118.005 121.319 -3.314 17842 2494 1 4 . 1 1 43 43 ILE C C 44 173.071 173.071 174.746 -1.675 17842 2495 1 4 . 1 1 43 43 ILE CA C 44 58.606 58.606 60.495 -1.889 17842 2496 1 4 . 1 1 43 43 ILE CB C 44 42.130 42.130 39.640 2.490 17842 2497 1 4 . 1 1 43 43 ILE H H 44 8.879 8.879 7.734 1.145 17842 2498 1 4 . 1 1 44 44 ARG N N 45 120.855 120.855 128.122 -7.267 17842 2499 1 4 . 1 1 44 44 ARG C C 45 174.942 174.942 175.192 -0.250 17842 2500 1 4 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.467 -1.578 17842 2501 1 4 . 1 1 44 44 ARG CB C 45 33.952 33.952 33.470 0.482 17842 2502 1 4 . 1 1 44 44 ARG H H 45 8.708 8.708 9.123 -0.415 17842 2503 1 4 . 1 1 45 45 ALA N N 46 119.127 119.127 128.553 -9.426 17842 2504 1 4 . 1 1 45 45 ALA C C 46 175.693 175.693 175.496 0.197 17842 2505 1 4 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.053 -1.433 17842 2506 1 4 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.785 -0.003 17842 2507 1 4 . 1 1 45 45 ALA H H 46 8.419 8.419 8.430 -0.011 17842 2508 1 4 . 1 1 46 46 GLY N N 47 107.350 107.350 109.984 -2.634 17842 2509 1 4 . 1 1 46 46 GLY C C 47 171.353 171.353 171.034 0.319 17842 2510 1 4 . 1 1 46 46 GLY CA C 47 45.630 45.630 45.268 0.362 17842 2511 1 4 . 1 1 46 46 GLY H H 47 7.819 7.819 9.083 -1.264 17842 2512 1 4 . 1 1 47 47 GLN N N 48 118.061 118.061 118.510 -0.449 17842 2513 1 4 . 1 1 47 47 GLN C C 48 173.671 173.671 173.756 -0.085 17842 2514 1 4 . 1 1 47 47 GLN CA C 48 54.365 54.365 53.907 0.458 17842 2515 1 4 . 1 1 47 47 GLN CB C 48 32.912 32.912 32.228 0.684 17842 2516 1 4 . 1 1 47 47 GLN H H 48 8.483 8.483 7.943 0.540 17842 2517 1 4 . 1 1 48 48 GLN N N 49 122.691 122.691 122.792 -0.101 17842 2518 1 4 . 1 1 48 48 GLN C C 49 173.291 173.291 174.536 -1.245 17842 2519 1 4 . 1 1 48 48 GLN CA C 49 54.593 54.593 55.802 -1.209 17842 2520 1 4 . 1 1 48 48 GLN CB C 49 30.750 30.750 31.377 -0.627 17842 2521 1 4 . 1 1 48 48 GLN H H 49 9.319 9.319 8.556 0.763 17842 2522 1 4 . 1 1 49 49 PHE N N 50 126.379 126.379 122.189 4.190 17842 2523 1 4 . 1 1 49 49 PHE C C 50 175.918 175.918 175.947 -0.029 17842 2524 1 4 . 1 1 49 49 PHE CA C 50 55.013 55.013 57.371 -2.358 17842 2525 1 4 . 1 1 49 49 PHE CB C 50 39.974 39.974 41.447 -1.474 17842 2526 1 4 . 1 1 49 49 PHE H H 50 8.781 8.781 9.074 -0.293 17842 2527 1 4 . 1 1 50 50 GLU N N 51 121.087 121.087 119.497 1.590 17842 2528 1 4 . 1 1 50 50 GLU C C 51 178.452 178.452 176.730 1.722 17842 2529 1 4 . 1 1 50 50 GLU CA C 51 60.435 60.435 59.309 1.126 17842 2530 1 4 . 1 1 50 50 GLU CB C 51 28.686 28.686 30.142 -1.456 17842 2531 1 4 . 1 1 50 50 GLU H H 51 8.975 8.975 8.961 0.014 17842 2532 1 4 . 1 1 51 51 GLN N N 52 111.198 111.198 115.950 -4.752 17842 2533 1 4 . 1 1 51 51 GLN C C 52 176.031 176.031 175.725 0.306 17842 2534 1 4 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.997 -0.161 17842 2535 1 4 . 1 1 51 51 GLN CB C 52 28.617 28.617 30.133 -1.516 17842 2536 1 4 . 1 1 51 51 GLN H H 52 7.955 7.955 8.159 -0.204 17842 2537 1 4 . 1 1 52 52 GLY N N 53 110.800 110.800 105.937 4.863 17842 2538 1 4 . 1 1 52 52 GLY C C 53 169.076 169.076 172.795 -3.719 17842 2539 1 4 . 1 1 52 52 GLY CA C 53 45.303 45.303 43.725 1.577 17842 2540 1 4 . 1 1 52 52 GLY H H 53 6.696 6.696 7.701 -1.005 17842 2541 1 4 . 1 1 53 53 ARG N N 54 111.857 111.857 115.741 -3.884 17842 2542 1 4 . 1 1 53 53 ARG C C 54 172.397 172.397 173.830 -1.433 17842 2543 1 4 . 1 1 53 53 ARG CA C 54 54.227 54.227 55.614 -1.387 17842 2544 1 4 . 1 1 53 53 ARG CB C 54 31.755 31.755 33.863 -2.108 17842 2545 1 4 . 1 1 53 53 ARG H H 54 8.216 8.216 9.264 -1.048 17842 2546 1 4 . 1 1 54 54 TYR N N 55 116.379 116.379 119.080 -2.701 17842 2547 1 4 . 1 1 54 54 TYR C C 55 175.461 175.461 175.837 -0.376 17842 2548 1 4 . 1 1 54 54 TYR CA C 55 55.296 55.296 55.345 -0.049 17842 2549 1 4 . 1 1 54 54 TYR CB C 55 41.539 41.539 41.734 -0.195 17842 2550 1 4 . 1 1 54 54 TYR H H 55 8.477 8.477 9.200 -0.723 17842 2551 1 4 . 1 1 55 55 TYR N N 56 114.651 114.651 116.931 -2.280 17842 2552 1 4 . 1 1 55 55 TYR C C 56 173.431 173.431 173.004 0.427 17842 2553 1 4 . 1 1 55 55 TYR CA C 56 55.886 55.886 56.711 -0.825 17842 2554 1 4 . 1 1 55 55 TYR CB C 56 37.595 37.595 39.713 -2.118 17842 2555 1 4 . 1 1 55 55 TYR H H 56 8.221 8.221 9.571 -1.350 17842 2556 1 4 . 1 1 56 56 ALA N N 57 125.460 125.460 128.086 -2.626 17842 2557 1 4 . 1 1 56 56 ALA C C 57 175.737 175.737 176.207 -0.470 17842 2558 1 4 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.798 -1.650 17842 2559 1 4 . 1 1 56 56 ALA CB C 57 20.777 20.777 20.698 0.079 17842 2560 1 4 . 1 1 56 56 ALA H H 57 9.034 9.034 8.474 0.560 17842 2561 1 4 . 1 1 57 57 THR N N 58 116.923 116.923 119.641 -2.718 17842 2562 1 4 . 1 1 57 57 THR C C 58 173.462 173.462 173.517 -0.055 17842 2563 1 4 . 1 1 57 57 THR CA C 58 61.458 61.458 59.973 1.485 17842 2564 1 4 . 1 1 57 57 THR CB C 58 71.683 71.683 70.714 0.969 17842 2565 1 4 . 1 1 57 57 THR H H 58 8.907 8.907 8.696 0.211 17842 2566 1 4 . 1 1 58 58 TYR N N 59 126.784 126.784 125.616 1.168 17842 2567 1 4 . 1 1 58 58 TYR C C 59 173.954 173.954 173.682 0.272 17842 2568 1 4 . 1 1 58 58 TYR CA C 59 55.682 55.682 55.130 0.552 17842 2569 1 4 . 1 1 58 58 TYR CB C 59 41.320 41.320 41.157 0.163 17842 2570 1 4 . 1 1 58 58 TYR H H 59 8.974 8.974 7.966 1.008 17842 2571 1 4 . 1 1 59 59 GLU N N 60 124.211 124.211 121.378 2.833 17842 2572 1 4 . 1 1 59 59 GLU C C 60 173.989 173.989 174.481 -0.492 17842 2573 1 4 . 1 1 59 59 GLU CA C 60 52.924 52.924 55.198 -2.274 17842 2574 1 4 . 1 1 59 59 GLU CB C 60 33.742 33.742 34.442 -0.700 17842 2575 1 4 . 1 1 59 59 GLU H H 60 8.049 8.049 9.325 -1.276 17842 2576 1 4 . 1 1 60 60 ASN N N 61 118.358 118.358 117.182 1.176 17842 2577 1 4 . 1 1 60 60 ASN C C 61 173.609 173.609 174.744 -1.135 17842 2578 1 4 . 1 1 60 60 ASN CA C 61 52.281 52.281 53.035 -0.754 17842 2579 1 4 . 1 1 60 60 ASN H H 61 8.155 8.155 8.560 -0.405 17842 2580 1 4 . 1 1 61 61 ILE C C 62 174.902 174.902 174.650 0.252 17842 2581 1 4 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.471 0.509 17842 2582 1 4 . 1 1 61 61 ILE CB C 62 40.772 40.772 39.986 0.786 17842 2583 1 4 . 1 1 62 62 SER N N 63 121.368 121.368 121.003 0.365 17842 2584 1 4 . 1 1 62 62 SER C C 63 173.027 173.027 173.274 -0.247 17842 2585 1 4 . 1 1 62 62 SER CA C 63 57.295 57.295 59.946 -2.651 17842 2586 1 4 . 1 1 62 62 SER CB C 63 64.306 64.306 62.763 1.544 17842 2587 1 4 . 1 1 62 62 SER H H 63 8.339 8.339 8.769 -0.430 17842 2588 1 4 . 1 1 63 63 ASP N N 64 124.300 124.300 121.577 2.723 17842 2589 1 4 . 1 1 63 63 ASP C C 64 176.570 176.570 175.185 1.385 17842 2590 1 4 . 1 1 63 63 ASP CA C 64 53.291 53.291 53.607 -0.316 17842 2591 1 4 . 1 1 63 63 ASP CB C 64 42.484 42.484 43.838 -1.354 17842 2592 1 4 . 1 1 63 63 ASP H H 64 8.596 8.596 8.424 0.172 17842 2593 1 4 . 1 1 64 64 THR N N 65 116.756 116.756 111.909 4.847 17842 2594 1 4 . 1 1 64 64 THR C C 65 175.975 175.975 174.846 1.129 17842 2595 1 4 . 1 1 64 64 THR CA C 65 61.608 61.608 61.124 0.484 17842 2596 1 4 . 1 1 64 64 THR CB C 65 68.856 68.856 70.010 -1.154 17842 2597 1 4 . 1 1 64 64 THR H H 65 8.581 8.581 8.217 0.364 17842 2598 1 4 . 1 1 65 65 SER N N 66 119.276 119.276 114.960 4.316 17842 2599 1 4 . 1 1 65 65 SER CA C 66 59.728 59.728 59.314 0.414 17842 2600 1 4 . 1 1 65 65 SER CB C 66 63.514 63.514 63.389 0.125 17842 2601 1 4 . 1 1 65 65 SER H H 66 8.492 8.492 8.353 0.139 17842 2602 1 4 . 1 1 66 66 SER C C 67 175.122 175.122 174.185 0.937 17842 2603 1 4 . 1 1 66 66 SER CA C 67 58.554 58.554 57.424 1.130 17842 2604 1 4 . 1 1 67 67 GLY N N 68 110.266 110.266 109.290 0.976 17842 2605 1 4 . 1 1 67 67 GLY C C 68 173.832 173.832 173.285 0.547 17842 2606 1 4 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.447 0.760 17842 2607 1 4 . 1 1 67 67 GLY H H 68 8.184 8.184 7.720 0.464 17842 2608 1 4 . 1 1 68 68 ASN N N 69 118.584 118.584 118.433 0.151 17842 2609 1 4 . 1 1 68 68 ASN C C 69 174.239 174.239 175.187 -0.948 17842 2610 1 4 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.691 0.039 17842 2611 1 4 . 1 1 68 68 ASN CB C 69 38.938 38.938 40.860 -1.922 17842 2612 1 4 . 1 1 68 68 ASN H H 69 7.972 7.972 8.525 -0.553 17842 2613 1 4 . 1 1 72 72 GLN C C 73 173.610 173.610 174.127 -0.517 17842 2614 1 4 . 1 1 72 72 GLN CA C 73 53.449 53.449 54.751 -1.302 17842 2615 1 4 . 1 1 73 73 GLN N N 74 123.659 123.659 120.206 3.453 17842 2616 1 4 . 1 1 73 73 GLN C C 74 173.276 173.276 173.397 -0.121 17842 2617 1 4 . 1 1 73 73 GLN CA C 74 53.544 53.544 56.126 -2.582 17842 2618 1 4 . 1 1 73 73 GLN CB C 74 34.344 34.344 33.724 0.620 17842 2619 1 4 . 1 1 73 73 GLN H H 74 8.697 8.697 8.250 0.447 17842 2620 1 4 . 1 1 74 74 ASN N N 75 118.720 118.720 118.659 0.061 17842 2621 1 4 . 1 1 74 74 ASN C C 75 173.733 173.733 173.662 0.071 17842 2622 1 4 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.949 -2.680 17842 2623 1 4 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.205 -1.135 17842 2624 1 4 . 1 1 74 74 ASN H H 75 8.295 8.295 8.824 -0.529 17842 2625 1 4 . 1 1 75 75 LEU N N 76 124.353 124.353 118.765 5.588 17842 2626 1 4 . 1 1 75 75 LEU C C 76 174.267 174.267 174.832 -0.565 17842 2627 1 4 . 1 1 75 75 LEU CA C 76 53.916 53.916 53.596 0.320 17842 2628 1 4 . 1 1 75 75 LEU CB C 76 44.633 44.633 45.376 -0.743 17842 2629 1 4 . 1 1 75 75 LEU H H 76 8.847 8.847 8.257 0.590 17842 2630 1 4 . 1 1 76 76 LEU N N 77 124.437 124.437 116.544 7.893 17842 2631 1 4 . 1 1 76 76 LEU C C 77 175.188 175.188 175.142 0.046 17842 2632 1 4 . 1 1 76 76 LEU CA C 77 52.934 52.934 54.376 -1.442 17842 2633 1 4 . 1 1 76 76 LEU CB C 77 45.115 45.115 45.371 -0.256 17842 2634 1 4 . 1 1 76 76 LEU H H 77 9.222 9.222 8.361 0.861 17842 2635 1 4 . 1 1 77 77 GLY N N 78 107.288 107.288 107.172 0.116 17842 2636 1 4 . 1 1 77 77 GLY C C 78 171.733 171.733 172.668 -0.935 17842 2637 1 4 . 1 1 77 77 GLY CA C 78 44.160 44.160 43.900 0.260 17842 2638 1 4 . 1 1 77 77 GLY H H 78 9.132 9.132 9.165 -0.033 17842 2639 1 4 . 1 1 78 78 SER N N 79 117.437 117.437 121.364 -3.927 17842 2640 1 4 . 1 1 78 78 SER C C 79 171.279 171.279 173.207 -1.928 17842 2641 1 4 . 1 1 78 78 SER CA C 79 57.272 57.272 56.274 0.998 17842 2642 1 4 . 1 1 78 78 SER CB C 79 65.596 65.596 64.201 1.395 17842 2643 1 4 . 1 1 78 78 SER H H 79 8.210 8.210 8.211 -0.001 17842 2644 1 4 . 1 1 79 79 TYR N N 80 122.901 122.901 124.806 -1.905 17842 2645 1 4 . 1 1 79 79 TYR C C 80 173.757 173.757 173.664 0.093 17842 2646 1 4 . 1 1 79 79 TYR CA C 80 56.243 56.243 54.812 1.431 17842 2647 1 4 . 1 1 79 79 TYR CB C 80 42.570 42.570 39.884 2.686 17842 2648 1 4 . 1 1 79 79 TYR H H 80 8.092 8.092 9.045 -0.953 17842 2649 1 4 . 1 1 80 80 ASP N N 81 122.808 122.808 123.548 -0.740 17842 2650 1 4 . 1 1 80 80 ASP C C 81 173.607 173.607 173.925 -0.318 17842 2651 1 4 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.136 0.529 17842 2652 1 4 . 1 1 80 80 ASP CB C 81 45.787 45.787 44.520 1.267 17842 2653 1 4 . 1 1 80 80 ASP H H 81 8.268 8.268 9.145 -0.877 17842 2654 1 4 . 1 1 81 81 ALA N N 82 121.201 121.201 120.799 0.402 17842 2655 1 4 . 1 1 81 81 ALA C C 82 177.094 177.094 176.407 0.687 17842 2656 1 4 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.813 -1.068 17842 2657 1 4 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.587 0.924 17842 2658 1 4 . 1 1 81 81 ALA H H 82 8.931 8.931 8.077 0.854 17842 2659 1 4 . 1 1 82 82 PHE N N 83 116.305 116.305 122.878 -6.573 17842 2660 1 4 . 1 1 82 82 PHE C C 83 176.299 176.299 174.287 2.012 17842 2661 1 4 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.392 -2.728 17842 2662 1 4 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.603 0.518 17842 2663 1 4 . 1 1 82 82 PHE H H 83 7.404 7.404 8.727 -1.323 17842 2664 1 4 . 1 1 83 83 LEU N N 84 122.208 122.208 120.531 1.677 17842 2665 1 4 . 1 1 83 83 LEU C C 84 173.599 173.599 174.292 -0.693 17842 2666 1 4 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.368 -0.494 17842 2667 1 4 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.218 -0.851 17842 2668 1 4 . 1 1 83 83 LEU H H 84 9.049 9.049 7.772 1.277 17842 2669 1 4 . 1 1 84 84 PRO C C 85 175.877 175.877 175.917 -0.040 17842 2670 1 4 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.648 -0.607 17842 2671 1 4 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.445 0.041 17842 2672 1 4 . 1 1 85 85 ILE N N 86 119.588 119.588 126.638 -7.050 17842 2673 1 4 . 1 1 85 85 ILE C C 86 175.749 175.749 175.290 0.459 17842 2674 1 4 . 1 1 85 85 ILE CA C 86 59.267 59.267 60.111 -0.844 17842 2675 1 4 . 1 1 85 85 ILE CB C 86 39.835 39.835 39.101 0.734 17842 2676 1 4 . 1 1 85 85 ILE H H 86 8.205 8.205 8.044 0.161 17842 2677 1 4 . 1 1 86 86 GLY N N 87 112.396 112.396 117.760 -5.364 17842 2678 1 4 . 1 1 86 86 GLY C C 87 174.218 174.218 173.590 0.628 17842 2679 1 4 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.251 0.441 17842 2680 1 4 . 1 1 86 86 GLY H H 87 8.364 8.364 8.736 -0.372 17842 2681 1 4 . 1 1 87 87 ASP N N 88 122.109 122.109 122.725 -0.616 17842 2682 1 4 . 1 1 87 87 ASP C C 88 175.839 175.839 175.704 0.135 17842 2683 1 4 . 1 1 87 87 ASP CA C 88 53.535 53.535 54.466 -0.931 17842 2684 1 4 . 1 1 87 87 ASP CB C 88 41.132 41.132 41.154 -0.022 17842 2685 1 4 . 1 1 87 87 ASP H H 88 8.249 8.249 8.373 -0.124 17842 2686 1 4 . 1 1 88 88 ASN N N 89 116.308 116.308 115.590 0.718 17842 2687 1 4 . 1 1 88 88 ASN C C 89 175.100 175.100 174.692 0.408 17842 2688 1 4 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.413 -0.491 17842 2689 1 4 . 1 1 88 88 ASN CB C 89 38.183 38.183 37.317 0.866 17842 2690 1 4 . 1 1 88 88 ASN H H 89 8.449 8.449 8.788 -0.339 17842 2691 1 4 . 1 1 89 89 ASN N N 90 115.987 115.987 114.543 1.444 17842 2692 1 4 . 1 1 89 89 ASN C C 90 173.909 173.909 174.642 -0.733 17842 2693 1 4 . 1 1 89 89 ASN CA C 90 54.386 54.386 53.706 0.680 17842 2694 1 4 . 1 1 89 89 ASN CB C 90 37.657 37.657 40.681 -3.025 17842 2695 1 4 . 1 1 89 89 ASN H H 90 8.477 8.477 8.630 -0.153 17842 2696 1 4 . 1 1 90 90 THR N N 91 116.991 116.991 109.536 7.455 17842 2697 1 4 . 1 1 90 90 THR C C 91 173.763 173.763 172.664 1.099 17842 2698 1 4 . 1 1 90 90 THR CA C 91 62.170 62.170 61.032 1.138 17842 2699 1 4 . 1 1 90 90 THR CB C 91 68.706 68.706 72.014 -3.308 17842 2700 1 4 . 1 1 90 90 THR H H 91 7.600 7.600 7.413 0.187 17842 2701 1 4 . 1 1 91 91 LYS N N 92 124.349 124.349 123.842 0.507 17842 2702 1 4 . 1 1 91 91 LYS C C 92 175.815 175.815 176.483 -0.668 17842 2703 1 4 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.491 -1.085 17842 2704 1 4 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.462 1.036 17842 2705 1 4 . 1 1 91 91 LYS H H 92 9.249 9.249 8.727 0.522 17842 2706 1 4 . 1 1 92 92 LEU N N 93 123.462 123.462 129.207 -5.745 17842 2707 1 4 . 1 1 92 92 LEU C C 93 176.260 176.260 175.528 0.732 17842 2708 1 4 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.003 -1.174 17842 2709 1 4 . 1 1 92 92 LEU CB C 93 43.614 43.614 42.181 1.433 17842 2710 1 4 . 1 1 92 92 LEU H H 93 8.650 8.650 8.052 0.598 17842 2711 1 4 . 1 1 93 93 PHE N N 94 119.497 119.497 122.973 -3.476 17842 2712 1 4 . 1 1 93 93 PHE C C 94 173.154 173.154 175.107 -1.953 17842 2713 1 4 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.316 0.820 17842 2714 1 4 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.136 1.957 17842 2715 1 4 . 1 1 93 93 PHE H H 94 8.485 8.485 7.455 1.030 17842 2716 1 4 . 1 1 94 94 GLY N N 95 105.945 105.945 107.088 -1.143 17842 2717 1 4 . 1 1 94 94 GLY C C 95 171.815 171.815 172.715 -0.900 17842 2718 1 4 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.572 -1.190 17842 2719 1 4 . 1 1 94 94 GLY H H 95 8.256 8.256 8.149 0.107 17842 2720 1 4 . 1 1 95 95 GLY N N 96 110.432 110.432 110.747 -0.315 17842 2721 1 4 . 1 1 95 95 GLY C C 96 171.826 171.826 171.946 -0.120 17842 2722 1 4 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.629 1.257 17842 2723 1 4 . 1 1 95 95 GLY H H 96 9.005 9.005 8.643 0.362 17842 2724 1 4 . 1 1 96 96 ALA N N 97 117.509 117.509 122.016 -4.507 17842 2725 1 4 . 1 1 96 96 ALA C C 97 176.928 176.928 175.109 1.819 17842 2726 1 4 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.177 -0.776 17842 2727 1 4 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.212 1.213 17842 2728 1 4 . 1 1 96 96 ALA H H 97 8.039 8.039 7.733 0.306 17842 2729 1 4 . 1 1 97 97 THR N N 98 118.891 118.891 110.977 7.914 17842 2730 1 4 . 1 1 97 97 THR C C 98 172.492 172.492 173.402 -0.910 17842 2731 1 4 . 1 1 97 97 THR CA C 98 61.730 61.730 60.333 1.397 17842 2732 1 4 . 1 1 97 97 THR CB C 98 73.046 73.046 71.890 1.156 17842 2733 1 4 . 1 1 97 97 THR H H 98 8.379 8.379 8.109 0.270 17842 2734 1 4 . 1 1 98 98 LEU N N 99 124.958 124.958 122.021 2.937 17842 2735 1 4 . 1 1 98 98 LEU C C 99 175.753 175.753 175.330 0.423 17842 2736 1 4 . 1 1 98 98 LEU CA C 99 53.474 53.474 55.529 -2.055 17842 2737 1 4 . 1 1 98 98 LEU CB C 99 47.243 47.243 46.497 0.746 17842 2738 1 4 . 1 1 98 98 LEU H H 99 8.880 8.880 8.288 0.592 17842 2739 1 4 . 1 1 99 99 GLY N N 100 106.645 106.645 110.386 -3.741 17842 2740 1 4 . 1 1 99 99 GLY C C 100 169.886 169.886 171.859 -1.973 17842 2741 1 4 . 1 1 99 99 GLY CA C 100 46.631 46.631 45.527 1.104 17842 2742 1 4 . 1 1 99 99 GLY H H 100 8.635 8.635 8.134 0.501 17842 2743 1 4 . 1 1 100 100 LEU N N 101 121.823 121.823 119.527 2.296 17842 2744 1 4 . 1 1 100 100 LEU C C 101 174.876 174.876 175.815 -0.939 17842 2745 1 4 . 1 1 100 100 LEU CA C 101 53.071 53.071 55.250 -2.179 17842 2746 1 4 . 1 1 100 100 LEU CB C 101 46.646 46.646 45.752 0.894 17842 2747 1 4 . 1 1 100 100 LEU H H 101 9.088 9.088 8.943 0.145 17842 2748 1 4 . 1 1 101 101 VAL N N 102 118.857 118.857 118.215 0.642 17842 2749 1 4 . 1 1 101 101 VAL C C 102 174.015 174.015 175.149 -1.134 17842 2750 1 4 . 1 1 101 101 VAL CA C 102 59.666 59.666 60.189 -0.523 17842 2751 1 4 . 1 1 101 101 VAL CB C 102 35.406 35.406 33.083 2.323 17842 2752 1 4 . 1 1 101 101 VAL H H 102 8.291 8.291 8.098 0.193 17842 2753 1 4 . 1 1 102 102 LYS N N 103 126.552 126.552 126.903 -0.351 17842 2754 1 4 . 1 1 102 102 LYS C C 103 174.712 174.712 175.041 -0.329 17842 2755 1 4 . 1 1 102 102 LYS CA C 103 54.433 54.433 54.907 -0.475 17842 2756 1 4 . 1 1 102 102 LYS CB C 103 35.733 35.733 35.426 0.307 17842 2757 1 4 . 1 1 102 102 LYS H H 103 9.141 9.141 8.764 0.377 17842 2758 1 4 . 1 1 103 103 LEU N N 104 129.605 129.605 124.468 5.137 17842 2759 1 4 . 1 1 103 103 LEU C C 104 175.344 175.344 175.133 0.211 17842 2760 1 4 . 1 1 103 103 LEU CA C 104 53.492 53.492 53.751 -0.259 17842 2761 1 4 . 1 1 103 103 LEU CB C 104 45.004 45.004 45.644 -0.640 17842 2762 1 4 . 1 1 103 103 LEU H H 104 8.921 8.921 8.064 0.857 17842 2763 1 4 . 1 1 104 104 GLU C C 105 174.715 174.715 175.929 -1.214 17842 2764 1 4 . 1 1 104 104 GLU CA C 105 54.626 54.626 54.663 -0.037 17842 2765 1 4 . 1 1 104 104 GLU CB C 105 33.055 33.055 31.801 1.254 17842 2766 1 4 . 1 1 105 105 GLN N N 106 121.991 121.991 120.536 1.455 17842 2767 1 4 . 1 1 105 105 GLN C C 106 175.002 175.002 175.094 -0.092 17842 2768 1 4 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.407 -0.728 17842 2769 1 4 . 1 1 105 105 GLN CB C 106 30.252 30.252 30.544 -0.292 17842 2770 1 4 . 1 1 105 105 GLN H H 106 8.532 8.532 8.453 0.079 17842 2771 1 4 . 1 1 106 106 ASP N N 107 123.884 123.884 120.919 2.965 17842 2772 1 4 . 1 1 106 106 ASP C C 107 176.352 176.352 175.183 1.169 17842 2773 1 4 . 1 1 106 106 ASP CA C 107 54.108 54.108 54.562 -0.454 17842 2774 1 4 . 1 1 106 106 ASP CB C 107 41.448 41.448 40.226 1.222 17842 2775 1 4 . 1 1 106 106 ASP H H 107 8.414 8.414 8.801 -0.387 17842 2776 1 4 . 1 1 107 107 GLY N N 108 110.294 110.294 108.307 1.987 17842 2777 1 4 . 1 1 107 107 GLY C C 108 174.111 174.111 173.804 0.307 17842 2778 1 4 . 1 1 107 107 GLY CA C 108 44.992 44.992 45.756 -0.764 17842 2779 1 4 . 1 1 107 107 GLY H H 108 8.226 8.226 8.029 0.197 17842 2780 1 4 . 1 1 108 108 LYS N N 109 121.045 121.045 121.098 -0.053 17842 2781 1 4 . 1 1 108 108 LYS C C 109 176.988 176.988 176.814 0.174 17842 2782 1 4 . 1 1 108 108 LYS CA C 109 56.243 56.243 57.001 -0.758 17842 2783 1 4 . 1 1 108 108 LYS CB C 109 31.957 31.957 33.266 -1.309 17842 2784 1 4 . 1 1 108 108 LYS H H 109 8.130 8.130 8.081 0.049 17842 2785 1 4 . 1 1 109 109 GLY N N 110 109.975 109.975 108.898 1.077 17842 2786 1 4 . 1 1 109 109 GLY C C 110 173.856 173.856 173.726 0.130 17842 2787 1 4 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.731 0.238 17842 2788 1 4 . 1 1 109 109 GLY H H 110 8.313 8.313 8.511 -0.198 17842 2789 1 4 . 1 1 110 110 PHE N N 111 119.873 119.873 122.143 -2.270 17842 2790 1 4 . 1 1 110 110 PHE C C 111 175.195 175.195 175.755 -0.560 17842 2791 1 4 . 1 1 110 110 PHE CA C 111 57.334 57.334 56.983 0.351 17842 2792 1 4 . 1 1 110 110 PHE CB C 111 39.311 39.311 40.199 -0.888 17842 2793 1 4 . 1 1 110 110 PHE H H 111 7.848 7.848 8.087 -0.239 17842 2794 1 4 . 1 1 111 111 LYS N N 112 122.900 122.900 123.825 -0.925 17842 2795 1 4 . 1 1 111 111 LYS C C 112 175.898 175.898 175.930 -0.032 17842 2796 1 4 . 1 1 111 111 LYS CA C 112 55.928 55.928 56.081 -0.153 17842 2797 1 4 . 1 1 111 111 LYS CB C 112 32.741 32.741 31.244 1.497 17842 2798 1 4 . 1 1 111 111 LYS H H 112 8.073 8.073 8.391 -0.318 17842 2799 1 4 . 1 1 112 112 ARG N N 113 123.302 123.302 123.861 -0.559 17842 2800 1 4 . 1 1 112 112 ARG C C 113 175.762 175.762 175.987 -0.225 17842 2801 1 4 . 1 1 112 112 ARG CA C 113 55.877 55.877 55.031 0.846 17842 2802 1 4 . 1 1 112 112 ARG CB C 113 30.678 30.678 31.332 -0.654 17842 2803 1 4 . 1 1 112 112 ARG H H 113 8.277 8.277 8.361 -0.084 17842 2804 1 4 . 1 1 113 113 ASP N N 114 122.193 122.193 121.435 0.758 17842 2805 1 4 . 1 1 113 113 ASP C C 114 175.875 175.875 176.208 -0.333 17842 2806 1 4 . 1 1 113 113 ASP CA C 114 54.219 54.219 55.611 -1.391 17842 2807 1 4 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.202 0.077 17842 2808 1 4 . 1 1 113 113 ASP H H 114 8.300 8.300 8.576 -0.276 17842 2809 1 4 . 1 1 114 114 SER N N 115 114.844 114.844 118.830 -3.986 17842 2810 1 4 . 1 1 114 114 SER C C 115 173.567 173.567 172.580 0.987 17842 2811 1 4 . 1 1 114 114 SER CA C 115 57.538 57.538 58.501 -0.963 17842 2812 1 4 . 1 1 114 114 SER CB C 115 64.306 64.306 63.883 0.423 17842 2813 1 4 . 1 1 114 114 SER H H 115 8.071 8.071 8.571 -0.500 17842 2814 1 4 . 1 1 115 115 ASP N N 116 122.371 122.371 122.921 -0.550 17842 2815 1 4 . 1 1 115 115 ASP C C 116 175.096 175.096 174.334 0.762 17842 2816 1 4 . 1 1 115 115 ASP CA C 116 53.960 53.960 54.656 -0.696 17842 2817 1 4 . 1 1 115 115 ASP CB C 116 42.394 42.394 43.071 -0.677 17842 2818 1 4 . 1 1 115 115 ASP H H 116 8.400 8.400 8.522 -0.122 17842 2819 1 4 . 1 1 116 116 VAL N N 117 120.462 120.462 119.093 1.369 17842 2820 1 4 . 1 1 116 116 VAL C C 117 175.349 175.349 174.113 1.236 17842 2821 1 4 . 1 1 116 116 VAL CA C 117 60.785 60.785 61.360 -0.575 17842 2822 1 4 . 1 1 116 116 VAL CB C 117 33.507 33.507 35.228 -1.722 17842 2823 1 4 . 1 1 116 116 VAL H H 117 8.014 8.014 7.793 0.221 17842 2824 1 4 . 1 1 117 117 GLY N N 118 112.807 112.807 113.126 -0.319 17842 2825 1 4 . 1 1 117 117 GLY C C 118 172.079 172.079 172.007 0.072 17842 2826 1 4 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.330 -1.075 17842 2827 1 4 . 1 1 117 117 GLY H H 118 8.871 8.871 7.861 1.010 17842 2828 1 4 . 1 1 118 118 TYR N N 119 117.704 117.704 119.867 -2.163 17842 2829 1 4 . 1 1 118 118 TYR C C 119 175.024 175.024 174.723 0.301 17842 2830 1 4 . 1 1 118 118 TYR CA C 119 55.968 55.968 58.296 -2.328 17842 2831 1 4 . 1 1 118 118 TYR CB C 119 41.089 41.089 39.620 1.468 17842 2832 1 4 . 1 1 118 118 TYR H H 119 8.406 8.406 8.330 0.076 17842 2833 1 4 . 1 1 119 119 ALA N N 120 122.050 122.050 125.213 -3.163 17842 2834 1 4 . 1 1 119 119 ALA C C 120 175.218 175.218 175.618 -0.400 17842 2835 1 4 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.777 -0.116 17842 2836 1 4 . 1 1 119 119 ALA CB C 120 23.187 23.187 22.197 0.990 17842 2837 1 4 . 1 1 119 119 ALA H H 120 8.605 8.605 8.376 0.229 17842 2838 1 4 . 1 1 120 120 ALA N N 121 119.839 119.839 124.124 -4.285 17842 2839 1 4 . 1 1 120 120 ALA C C 121 175.881 175.881 175.907 -0.026 17842 2840 1 4 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.043 -1.703 17842 2841 1 4 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.866 0.599 17842 2842 1 4 . 1 1 120 120 ALA H H 121 8.476 8.476 7.960 0.516 17842 2843 1 4 . 1 1 121 121 GLY N N 122 107.807 107.807 109.143 -1.336 17842 2844 1 4 . 1 1 121 121 GLY C C 122 171.191 171.191 172.051 -0.860 17842 2845 1 4 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.995 0.070 17842 2846 1 4 . 1 1 121 121 GLY H H 122 8.931 8.931 8.302 0.629 17842 2847 1 4 . 1 1 122 122 LEU N N 123 118.400 118.400 119.982 -1.582 17842 2848 1 4 . 1 1 122 122 LEU C C 123 174.684 174.684 174.420 0.264 17842 2849 1 4 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.898 -1.671 17842 2850 1 4 . 1 1 122 122 LEU CB C 123 48.385 48.385 47.441 0.944 17842 2851 1 4 . 1 1 122 122 LEU H H 123 8.351 8.351 8.662 -0.311 17842 2852 1 4 . 1 1 123 123 GLN N N 124 113.455 113.455 118.411 -4.956 17842 2853 1 4 . 1 1 123 123 GLN C C 124 173.895 173.895 173.810 0.085 17842 2854 1 4 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.447 -0.442 17842 2855 1 4 . 1 1 123 123 GLN CB C 124 28.135 28.135 33.870 -5.736 17842 2856 1 4 . 1 1 123 123 GLN H H 124 8.159 8.159 8.088 0.071 17842 2857 1 4 . 1 1 124 124 ALA N N 125 118.711 118.711 121.980 -3.269 17842 2858 1 4 . 1 1 124 124 ALA C C 125 174.962 174.962 174.672 0.290 17842 2859 1 4 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.365 -1.569 17842 2860 1 4 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.403 0.603 17842 2861 1 4 . 1 1 124 124 ALA H H 125 8.638 8.638 8.268 0.370 17842 2862 1 4 . 1 1 125 125 GLY N N 126 103.783 103.783 107.045 -3.262 17842 2863 1 4 . 1 1 125 125 GLY C C 126 170.390 170.390 171.094 -0.704 17842 2864 1 4 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.062 1.348 17842 2865 1 4 . 1 1 125 125 GLY H H 126 7.103 7.103 6.954 0.149 17842 2866 1 4 . 1 1 126 126 ILE N N 127 118.306 118.306 115.090 3.216 17842 2867 1 4 . 1 1 126 126 ILE C C 127 172.353 172.353 174.206 -1.853 17842 2868 1 4 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.470 -1.877 17842 2869 1 4 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.126 1.038 17842 2870 1 4 . 1 1 126 126 ILE H H 127 8.564 8.564 8.184 0.380 17842 2871 1 4 . 1 1 127 127 LEU N N 128 129.339 129.339 127.399 1.940 17842 2872 1 4 . 1 1 127 127 LEU C C 128 173.613 173.613 175.916 -2.303 17842 2873 1 4 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.006 -0.478 17842 2874 1 4 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.503 3.301 17842 2875 1 4 . 1 1 127 127 LEU H H 128 9.236 9.236 8.293 0.943 17842 2876 1 4 . 1 1 128 128 GLN N N 129 126.801 126.801 126.754 0.047 17842 2877 1 4 . 1 1 128 128 GLN C C 129 175.093 175.093 174.635 0.458 17842 2878 1 4 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.826 -1.632 17842 2879 1 4 . 1 1 128 128 GLN CB C 129 30.947 30.947 31.099 -0.152 17842 2880 1 4 . 1 1 128 128 GLN H H 129 9.352 9.352 8.927 0.425 17842 2881 1 4 . 1 1 129 129 GLU N N 130 126.822 126.822 125.127 1.695 17842 2882 1 4 . 1 1 129 129 GLU C C 130 176.651 176.651 175.528 1.123 17842 2883 1 4 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.720 0.461 17842 2884 1 4 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.948 -4.187 17842 2885 1 4 . 1 1 129 129 GLU H H 130 8.518 8.518 8.844 -0.326 17842 2886 1 4 . 1 1 130 130 LEU N N 131 126.031 126.031 124.099 1.932 17842 2887 1 4 . 1 1 130 130 LEU C C 131 176.044 176.044 176.593 -0.549 17842 2888 1 4 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.803 -0.628 17842 2889 1 4 . 1 1 130 130 LEU CB C 131 43.855 43.855 44.209 -0.354 17842 2890 1 4 . 1 1 130 130 LEU H H 131 8.708 8.708 8.479 0.229 17842 2891 1 4 . 1 1 131 131 SER N N 132 113.049 113.049 112.693 0.356 17842 2892 1 4 . 1 1 131 131 SER C C 132 174.092 174.092 173.350 0.742 17842 2893 1 4 . 1 1 131 131 SER CA C 132 55.993 55.993 57.731 -1.738 17842 2894 1 4 . 1 1 131 131 SER CB C 132 64.945 64.945 64.533 0.412 17842 2895 1 4 . 1 1 131 131 SER H H 132 8.282 8.282 7.867 0.415 17842 2896 1 4 . 1 1 132 132 LYS C C 133 176.346 176.346 175.754 0.592 17842 2897 1 4 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.741 1.756 17842 2898 1 4 . 1 1 132 132 LYS CB C 133 31.009 31.009 30.855 0.154 17842 2899 1 4 . 1 1 133 133 ASN N N 134 110.795 110.795 117.478 -6.683 17842 2900 1 4 . 1 1 133 133 ASN C C 134 173.897 173.897 173.977 -0.080 17842 2901 1 4 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.566 0.012 17842 2902 1 4 . 1 1 133 133 ASN CB C 134 40.830 40.830 40.852 -0.022 17842 2903 1 4 . 1 1 133 133 ASN H H 134 7.761 7.761 8.245 -0.484 17842 2904 1 4 . 1 1 134 134 ALA N N 135 122.181 122.181 120.462 1.719 17842 2905 1 4 . 1 1 134 134 ALA C C 135 176.250 176.250 174.971 1.279 17842 2906 1 4 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.427 -0.270 17842 2907 1 4 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.229 0.904 17842 2908 1 4 . 1 1 134 134 ALA H H 135 7.562 7.562 7.934 -0.372 17842 2909 1 4 . 1 1 135 135 SER N N 136 114.617 114.617 113.888 0.729 17842 2910 1 4 . 1 1 135 135 SER C C 136 172.507 172.507 173.402 -0.895 17842 2911 1 4 . 1 1 135 135 SER CA C 136 56.164 56.164 56.583 -0.419 17842 2912 1 4 . 1 1 135 135 SER CB C 136 66.255 66.255 65.605 0.650 17842 2913 1 4 . 1 1 135 135 SER H H 136 8.717 8.717 7.808 0.909 17842 2914 1 4 . 1 1 136 136 ILE N N 137 114.495 114.495 120.836 -6.341 17842 2915 1 4 . 1 1 136 136 ILE C C 137 173.136 173.136 174.210 -1.074 17842 2916 1 4 . 1 1 136 136 ILE CA C 137 58.420 58.420 58.960 -0.540 17842 2917 1 4 . 1 1 136 136 ILE CB C 137 42.700 42.700 40.942 1.758 17842 2918 1 4 . 1 1 136 136 ILE H H 137 8.592 8.592 8.725 -0.133 17842 2919 1 4 . 1 1 137 137 GLU N N 138 122.016 122.016 124.379 -2.363 17842 2920 1 4 . 1 1 137 137 GLU C C 138 173.792 173.792 175.496 -1.704 17842 2921 1 4 . 1 1 137 137 GLU CA C 138 53.537 53.537 54.477 -0.940 17842 2922 1 4 . 1 1 137 137 GLU CB C 138 35.118 35.118 32.194 2.924 17842 2923 1 4 . 1 1 137 137 GLU H H 138 8.902 8.902 8.488 0.414 17842 2924 1 4 . 1 1 138 138 GLY N N 139 107.847 107.847 109.659 -1.812 17842 2925 1 4 . 1 1 138 138 GLY C C 139 171.817 171.817 172.812 -0.995 17842 2926 1 4 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.343 -1.273 17842 2927 1 4 . 1 1 138 138 GLY H H 139 8.485 8.485 8.189 0.296 17842 2928 1 4 . 1 1 139 139 GLY N N 140 108.290 108.290 111.688 -3.398 17842 2929 1 4 . 1 1 139 139 GLY C C 140 169.172 169.172 171.655 -2.483 17842 2930 1 4 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.788 -0.074 17842 2931 1 4 . 1 1 139 139 GLY H H 140 7.841 7.841 8.737 -0.896 17842 2932 1 4 . 1 1 140 140 TYR N N 141 119.674 119.674 118.383 1.291 17842 2933 1 4 . 1 1 140 140 TYR C C 141 173.643 173.643 173.685 -0.042 17842 2934 1 4 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.957 -1.778 17842 2935 1 4 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.737 -0.593 17842 2936 1 4 . 1 1 140 140 TYR H H 141 8.726 8.726 8.692 0.034 17842 2937 1 4 . 1 1 141 141 ARG N N 142 125.021 125.021 117.710 7.311 17842 2938 1 4 . 1 1 141 141 ARG C C 142 173.533 173.533 173.498 0.035 17842 2939 1 4 . 1 1 141 141 ARG CA C 142 53.813 53.813 54.925 -1.112 17842 2940 1 4 . 1 1 141 141 ARG CB C 142 33.239 33.239 33.280 -0.041 17842 2941 1 4 . 1 1 141 141 ARG H H 142 8.502 8.502 8.682 -0.180 17842 2942 1 4 . 1 1 142 142 TYR N N 143 128.805 128.805 120.747 8.058 17842 2943 1 4 . 1 1 142 142 TYR C C 143 173.475 173.475 174.830 -1.355 17842 2944 1 4 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.339 0.089 17842 2945 1 4 . 1 1 142 142 TYR CB C 143 41.642 41.642 41.045 0.597 17842 2946 1 4 . 1 1 142 142 TYR H H 143 8.978 8.978 8.997 -0.019 17842 2947 1 4 . 1 1 143 143 LEU N N 144 125.513 125.513 122.709 2.804 17842 2948 1 4 . 1 1 143 143 LEU C C 144 175.370 175.370 175.000 0.370 17842 2949 1 4 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.303 -1.410 17842 2950 1 4 . 1 1 143 143 LEU CB C 144 45.924 45.924 47.013 -1.089 17842 2951 1 4 . 1 1 143 143 LEU H H 144 8.117 8.117 8.754 -0.637 17842 2952 1 4 . 1 1 144 144 ARG N N 145 122.193 122.193 120.398 1.795 17842 2953 1 4 . 1 1 144 144 ARG C C 145 175.452 175.452 174.481 0.971 17842 2954 1 4 . 1 1 144 144 ARG CA C 145 54.077 54.077 54.455 -0.378 17842 2955 1 4 . 1 1 144 144 ARG CB C 145 31.377 31.377 34.290 -2.913 17842 2956 1 4 . 1 1 144 144 ARG H H 145 8.810 8.810 8.727 0.083 17842 2957 1 4 . 1 1 145 145 THR C C 146 172.708 172.708 174.114 -1.406 17842 2958 1 4 . 1 1 145 145 THR CA C 146 59.117 59.117 61.609 -2.492 17842 2959 1 4 . 1 1 145 145 THR CB C 146 70.345 70.345 69.775 0.570 17842 2960 1 4 . 1 1 146 146 ASN N N 147 120.236 120.236 122.739 -2.503 17842 2961 1 4 . 1 1 146 146 ASN C C 147 175.341 175.341 174.106 1.235 17842 2962 1 4 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.071 -1.191 17842 2963 1 4 . 1 1 146 146 ASN CB C 147 38.462 38.462 42.144 -3.682 17842 2964 1 4 . 1 1 146 146 ASN H H 147 8.259 8.259 8.731 -0.472 17842 2965 1 4 . 1 1 147 147 ALA N N 148 124.724 124.724 122.720 2.004 17842 2966 1 4 . 1 1 147 147 ALA C C 148 176.378 176.378 176.433 -0.055 17842 2967 1 4 . 1 1 147 147 ALA CA C 148 52.179 52.179 52.549 -0.370 17842 2968 1 4 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.789 -1.163 17842 2969 1 4 . 1 1 147 147 ALA H H 148 8.256 8.256 8.416 -0.160 17842 2970 1 4 . 1 1 148 148 SER N N 149 115.670 115.670 114.977 0.693 17842 2971 1 4 . 1 1 148 148 SER C C 149 174.123 174.123 174.624 -0.501 17842 2972 1 4 . 1 1 148 148 SER CA C 149 57.281 57.281 58.712 -1.431 17842 2973 1 4 . 1 1 148 148 SER CB C 149 64.685 64.685 63.214 1.471 17842 2974 1 4 . 1 1 148 148 SER H H 149 8.372 8.372 8.499 -0.127 17842 2975 1 4 . 1 1 149 149 THR N N 150 115.292 115.292 115.887 -0.595 17842 2976 1 4 . 1 1 149 149 THR C C 150 173.858 173.858 175.035 -1.177 17842 2977 1 4 . 1 1 149 149 THR CA C 150 61.189 61.189 62.478 -1.289 17842 2978 1 4 . 1 1 149 149 THR CB C 150 69.105 69.105 69.234 -0.129 17842 2979 1 4 . 1 1 149 149 THR H H 150 8.228 8.228 8.025 0.202 17842 2980 1 4 . 1 1 150 150 GLU N N 151 123.244 123.244 122.145 1.099 17842 2981 1 4 . 1 1 150 150 GLU C C 151 176.121 176.121 175.846 0.275 17842 2982 1 4 . 1 1 150 150 GLU CA C 151 56.002 56.002 55.917 0.085 17842 2983 1 4 . 1 1 150 150 GLU CB C 151 29.931 29.931 30.505 -0.574 17842 2984 1 4 . 1 1 150 150 GLU H H 151 8.186 8.186 8.326 -0.140 17842 2985 1 4 . 1 1 151 151 MET N N 152 121.600 121.600 123.495 -1.895 17842 2986 1 4 . 1 1 151 151 MET C C 152 175.810 175.810 176.212 -0.402 17842 2987 1 4 . 1 1 151 151 MET CA C 152 55.254 55.254 56.642 -1.388 17842 2988 1 4 . 1 1 151 151 MET CB C 152 33.247 33.247 33.710 -0.463 17842 2989 1 4 . 1 1 151 151 MET H H 152 8.248 8.248 8.744 -0.496 17842 2990 1 4 . 1 1 152 152 THR N N 153 117.486 117.486 113.403 4.083 17842 2991 1 4 . 1 1 152 152 THR C C 153 172.907 172.907 172.972 -0.065 17842 2992 1 4 . 1 1 152 152 THR CA C 153 59.365 59.365 59.358 0.007 17842 2993 1 4 . 1 1 152 152 THR CB C 153 69.366 69.366 69.183 0.183 17842 2994 1 4 . 1 1 152 152 THR H H 153 8.113 8.113 7.889 0.224 17842 2995 1 4 . 1 1 155 155 GLY C C 156 174.620 174.620 173.965 0.655 17842 2996 1 4 . 1 1 155 155 GLY CA C 156 45.280 45.280 44.346 0.934 17842 2997 1 4 . 1 1 156 156 GLY N N 157 109.059 109.059 108.042 1.017 17842 2998 1 4 . 1 1 156 156 GLY C C 157 173.801 173.801 173.448 0.353 17842 2999 1 4 . 1 1 156 156 GLY CA C 157 44.929 44.929 45.197 -0.268 17842 3000 1 4 . 1 1 156 156 GLY H H 157 8.175 8.175 8.406 -0.231 17842 3001 1 4 . 1 1 157 157 ASN N N 158 118.630 118.630 118.476 0.154 17842 3002 1 4 . 1 1 157 157 ASN C C 158 175.025 175.025 174.297 0.728 17842 3003 1 4 . 1 1 157 157 ASN CA C 158 52.791 52.791 53.399 -0.608 17842 3004 1 4 . 1 1 157 157 ASN CB C 158 38.532 38.532 40.767 -2.235 17842 3005 1 4 . 1 1 157 157 ASN H H 158 8.114 8.114 7.987 0.127 17842 3006 1 4 . 1 1 158 158 LYS N N 159 121.755 121.755 122.659 -0.904 17842 3007 1 4 . 1 1 158 158 LYS C C 159 176.361 176.361 176.340 0.021 17842 3008 1 4 . 1 1 158 158 LYS CA C 159 56.472 56.472 55.065 1.407 17842 3009 1 4 . 1 1 158 158 LYS CB C 159 32.403 32.403 33.748 -1.345 17842 3010 1 4 . 1 1 158 158 LYS H H 159 8.169 8.169 8.508 -0.340 17842 3011 1 4 . 1 1 159 159 LEU N N 160 123.084 123.084 121.638 1.446 17842 3012 1 4 . 1 1 159 159 LEU C C 160 177.408 177.408 177.363 0.045 17842 3013 1 4 . 1 1 159 159 LEU CA C 160 55.162 55.162 54.647 0.515 17842 3014 1 4 . 1 1 159 159 LEU CB C 160 42.690 42.690 42.917 -0.227 17842 3015 1 4 . 1 1 159 159 LEU H H 160 8.173 8.173 8.719 -0.546 17842 3016 1 4 . 1 1 160 160 GLY N N 161 109.180 109.180 107.540 1.640 17842 3017 1 4 . 1 1 160 160 GLY C C 161 173.574 173.574 173.034 0.540 17842 3018 1 4 . 1 1 160 160 GLY CA C 161 44.877 44.877 43.968 0.909 17842 3019 1 4 . 1 1 160 160 GLY H H 161 8.117 8.117 7.658 0.459 17842 3020 1 4 . 1 1 161 161 SER N N 162 115.719 115.719 118.084 -2.365 17842 3021 1 4 . 1 1 161 161 SER C C 162 173.715 173.715 174.806 -1.091 17842 3022 1 4 . 1 1 161 161 SER CA C 162 57.965 57.965 57.349 0.616 17842 3023 1 4 . 1 1 161 161 SER CB C 162 63.856 63.856 65.511 -1.655 17842 3024 1 4 . 1 1 161 161 SER H H 162 8.064 8.064 8.228 -0.164 17842 3025 1 4 . 1 1 162 162 LEU N N 163 123.433 123.433 121.401 2.032 17842 3026 1 4 . 1 1 162 162 LEU C C 163 175.609 175.609 175.439 0.170 17842 3027 1 4 . 1 1 162 162 LEU CA C 163 54.385 54.385 56.039 -1.654 17842 3028 1 4 . 1 1 162 162 LEU CB C 163 43.046 43.046 41.607 1.439 17842 3029 1 4 . 1 1 162 162 LEU H H 163 8.282 8.282 8.909 -0.627 17842 3030 1 4 . 1 1 163 163 ASP N N 164 122.223 122.223 117.961 4.262 17842 3031 1 4 . 1 1 163 163 ASP C C 164 175.122 175.122 175.340 -0.218 17842 3032 1 4 . 1 1 163 163 ASP CA C 164 53.400 53.400 54.143 -0.743 17842 3033 1 4 . 1 1 163 163 ASP CB C 164 41.200 41.200 41.809 -0.608 17842 3034 1 4 . 1 1 163 163 ASP H H 164 8.356 8.356 7.861 0.495 17842 3035 1 4 . 1 1 166 166 SER C C 167 172.472 172.472 173.460 -0.988 17842 3036 1 4 . 1 1 166 166 SER CA C 167 56.760 56.760 57.746 -0.986 17842 3037 1 4 . 1 1 167 167 SER N N 168 115.939 115.939 117.762 -1.823 17842 3038 1 4 . 1 1 167 167 SER C C 168 173.318 173.318 173.350 -0.032 17842 3039 1 4 . 1 1 167 167 SER CA C 168 56.763 56.763 58.132 -1.369 17842 3040 1 4 . 1 1 167 167 SER CB C 168 65.286 65.286 64.102 1.184 17842 3041 1 4 . 1 1 167 167 SER H H 168 8.678 8.678 8.803 -0.125 17842 3042 1 4 . 1 1 168 168 SER C C 169 172.500 172.500 173.971 -1.471 17842 3043 1 4 . 1 1 168 168 SER CA C 169 56.569 56.569 58.014 -1.446 17842 3044 1 4 . 1 1 168 168 SER CB C 169 65.738 65.738 64.087 1.651 17842 3045 1 4 . 1 1 169 169 GLN N N 170 122.951 122.951 126.390 -3.439 17842 3046 1 4 . 1 1 169 169 GLN C C 170 174.697 174.697 174.637 0.060 17842 3047 1 4 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.813 -0.775 17842 3048 1 4 . 1 1 169 169 GLN CB C 170 32.383 32.383 32.877 -0.494 17842 3049 1 4 . 1 1 169 169 GLN H H 170 8.745 8.745 8.027 0.718 17842 3050 1 4 . 1 1 170 170 PHE N N 171 125.628 125.628 120.960 4.668 17842 3051 1 4 . 1 1 170 170 PHE C C 171 174.628 174.628 175.423 -0.795 17842 3052 1 4 . 1 1 170 170 PHE CA C 171 56.200 56.200 58.056 -1.857 17842 3053 1 4 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.231 -0.679 17842 3054 1 4 . 1 1 170 170 PHE H H 171 7.771 7.771 8.831 -1.060 17842 3055 1 4 . 1 1 171 171 TYR N N 172 121.558 121.558 121.310 0.248 17842 3056 1 4 . 1 1 171 171 TYR C C 172 171.727 171.727 174.143 -2.416 17842 3057 1 4 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.376 -1.330 17842 3058 1 4 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.282 0.157 17842 3059 1 4 . 1 1 171 171 TYR H H 172 8.696 8.696 8.955 -0.259 17842 3060 1 4 . 1 1 172 172 LEU N N 173 119.230 119.230 126.097 -6.867 17842 3061 1 4 . 1 1 172 172 LEU C C 173 176.352 176.352 174.801 1.551 17842 3062 1 4 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.556 -1.813 17842 3063 1 4 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.487 0.050 17842 3064 1 4 . 1 1 172 172 LEU H H 173 8.971 8.971 8.255 0.716 17842 3065 1 4 . 1 1 173 173 GLY N N 174 107.248 107.248 109.932 -2.684 17842 3066 1 4 . 1 1 173 173 GLY C C 174 170.680 170.680 172.185 -1.505 17842 3067 1 4 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.226 -1.306 17842 3068 1 4 . 1 1 173 173 GLY H H 174 9.085 9.085 8.955 0.130 17842 3069 1 4 . 1 1 174 174 ALA N N 175 121.461 121.461 121.723 -0.262 17842 3070 1 4 . 1 1 174 174 ALA C C 175 174.546 174.546 174.815 -0.269 17842 3071 1 4 . 1 1 174 174 ALA CA C 175 50.312 50.312 50.767 -0.455 17842 3072 1 4 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.457 -0.814 17842 3073 1 4 . 1 1 174 174 ALA H H 175 8.575 8.575 8.380 0.195 17842 3074 1 4 . 1 1 175 175 ASN N N 176 117.370 117.370 117.485 -0.115 17842 3075 1 4 . 1 1 175 175 ASN C C 176 173.370 173.370 172.661 0.709 17842 3076 1 4 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.660 -2.061 17842 3077 1 4 . 1 1 175 175 ASN CB C 176 41.957 41.957 41.555 0.402 17842 3078 1 4 . 1 1 175 175 ASN H H 176 8.762 8.762 7.867 0.895 17842 3079 1 4 . 1 1 176 176 TYR N N 177 122.724 122.724 123.895 -1.171 17842 3080 1 4 . 1 1 176 176 TYR C C 177 173.924 173.924 175.750 -1.826 17842 3081 1 4 . 1 1 176 176 TYR CA C 177 56.438 56.438 57.011 -0.573 17842 3082 1 4 . 1 1 176 176 TYR CB C 177 42.401 42.401 39.289 3.112 17842 3083 1 4 . 1 1 176 176 TYR H H 177 9.570 9.570 9.263 0.307 17842 3084 1 4 . 1 1 177 177 LYS N N 178 127.067 127.067 123.761 3.306 17842 3085 1 4 . 1 1 177 177 LYS C C 178 174.336 174.336 175.710 -1.374 17842 3086 1 4 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.966 -1.723 17842 3087 1 4 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.377 0.574 17842 3088 1 4 . 1 1 177 177 LYS H H 178 8.284 8.284 8.510 -0.226 17842 3089 1 5 . 1 1 2 2 ASP N N 3 119.767 119.767 119.221 0.546 17842 3090 1 5 . 1 1 2 2 ASP C C 3 175.809 175.809 175.077 0.732 17842 3091 1 5 . 1 1 2 2 ASP CA C 3 53.303 53.303 52.637 0.666 17842 3092 1 5 . 1 1 2 2 ASP CB C 3 42.915 42.915 44.827 -1.912 17842 3093 1 5 . 1 1 2 2 ASP H H 3 8.443 8.443 8.905 -0.462 17842 3094 1 5 . 1 1 3 3 ASN N N 4 123.667 123.667 119.632 4.035 17842 3095 1 5 . 1 1 3 3 ASN C C 4 174.736 174.736 174.293 0.443 17842 3096 1 5 . 1 1 3 3 ASN CA C 4 52.911 52.911 53.764 -0.853 17842 3097 1 5 . 1 1 3 3 ASN CB C 4 39.160 39.160 40.336 -1.176 17842 3098 1 5 . 1 1 3 3 ASN H H 4 8.923 8.923 8.775 0.148 17842 3099 1 5 . 1 1 4 4 PHE N N 5 118.447 118.447 125.252 -6.805 17842 3100 1 5 . 1 1 4 4 PHE C C 5 172.331 172.331 173.768 -1.437 17842 3101 1 5 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.311 -1.259 17842 3102 1 5 . 1 1 4 4 PHE CB C 5 42.863 42.863 44.258 -1.395 17842 3103 1 5 . 1 1 4 4 PHE H H 5 8.910 8.910 8.880 0.030 17842 3104 1 5 . 1 1 5 5 VAL N N 6 116.195 116.195 122.521 -6.326 17842 3105 1 5 . 1 1 5 5 VAL C C 6 174.144 174.144 174.546 -0.402 17842 3106 1 5 . 1 1 5 5 VAL CA C 6 58.529 58.529 61.645 -3.116 17842 3107 1 5 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.908 -0.090 17842 3108 1 5 . 1 1 5 5 VAL H H 6 8.903 8.903 9.305 -0.402 17842 3109 1 5 . 1 1 6 6 GLY N N 7 110.150 110.150 113.361 -3.211 17842 3110 1 5 . 1 1 6 6 GLY C C 7 170.825 170.825 171.549 -0.724 17842 3111 1 5 . 1 1 6 6 GLY CA C 7 46.218 46.218 44.439 1.779 17842 3112 1 5 . 1 1 6 6 GLY H H 7 8.670 8.670 8.952 -0.282 17842 3113 1 5 . 1 1 7 7 LEU N N 8 120.059 120.059 120.324 -0.265 17842 3114 1 5 . 1 1 7 7 LEU C C 8 175.596 175.596 175.100 0.496 17842 3115 1 5 . 1 1 7 7 LEU CA C 8 52.933 52.933 53.344 -0.411 17842 3116 1 5 . 1 1 7 7 LEU CB C 8 47.663 47.663 45.861 1.802 17842 3117 1 5 . 1 1 7 7 LEU H H 8 8.562 8.562 8.129 0.433 17842 3118 1 5 . 1 1 8 8 THR N N 9 112.180 112.180 117.226 -5.046 17842 3119 1 5 . 1 1 8 8 THR C C 9 172.942 172.942 173.072 -0.130 17842 3120 1 5 . 1 1 8 8 THR CA C 9 59.539 59.539 60.862 -1.323 17842 3121 1 5 . 1 1 8 8 THR CB C 9 70.735 70.735 69.874 0.861 17842 3122 1 5 . 1 1 8 8 THR H H 9 9.114 9.114 8.029 1.085 17842 3123 1 5 . 1 1 9 9 TRP N N 10 121.476 121.476 129.130 -7.654 17842 3124 1 5 . 1 1 9 9 TRP C C 10 174.622 174.622 174.343 0.279 17842 3125 1 5 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.399 1.019 17842 3126 1 5 . 1 1 9 9 TRP CB C 10 31.877 31.877 32.102 -0.226 17842 3127 1 5 . 1 1 9 9 TRP H H 10 9.022 9.022 8.478 0.544 17842 3128 1 5 . 1 1 10 10 GLY N N 11 112.750 112.750 114.234 -1.484 17842 3129 1 5 . 1 1 10 10 GLY C C 11 171.655 171.655 171.542 0.113 17842 3130 1 5 . 1 1 10 10 GLY CA C 11 44.940 44.940 42.908 2.032 17842 3131 1 5 . 1 1 10 10 GLY H H 11 7.798 7.798 8.398 -0.600 17842 3132 1 5 . 1 1 11 11 GLU N N 12 117.292 117.292 120.782 -3.490 17842 3133 1 5 . 1 1 11 11 GLU C C 12 175.810 175.810 175.519 0.291 17842 3134 1 5 . 1 1 11 11 GLU CA C 12 53.743 53.743 55.205 -1.462 17842 3135 1 5 . 1 1 11 11 GLU CB C 12 31.361 31.361 31.390 -0.028 17842 3136 1 5 . 1 1 11 11 GLU H H 12 8.223 8.223 8.279 -0.056 17842 3137 1 5 . 1 1 12 12 THR N N 13 123.477 123.477 116.631 6.846 17842 3138 1 5 . 1 1 12 12 THR C C 13 174.233 174.233 173.826 0.407 17842 3139 1 5 . 1 1 12 12 THR CA C 13 61.872 61.872 61.586 0.287 17842 3140 1 5 . 1 1 12 12 THR CB C 13 69.374 69.374 69.050 0.324 17842 3141 1 5 . 1 1 12 12 THR H H 13 8.722 8.722 8.175 0.547 17842 3142 1 5 . 1 1 13 13 SER N N 14 122.220 122.220 120.463 1.757 17842 3143 1 5 . 1 1 13 13 SER C C 14 173.577 173.577 173.349 0.228 17842 3144 1 5 . 1 1 13 13 SER CA C 14 56.934 56.934 57.994 -1.060 17842 3145 1 5 . 1 1 13 13 SER CB C 14 64.249 64.249 64.350 -0.101 17842 3146 1 5 . 1 1 13 13 SER H H 14 9.225 9.225 8.496 0.729 17842 3147 1 5 . 1 1 14 14 ASN N N 15 125.159 125.159 123.621 1.538 17842 3148 1 5 . 1 1 14 14 ASN C C 15 174.673 174.673 175.084 -0.411 17842 3149 1 5 . 1 1 14 14 ASN CA C 15 51.888 51.888 52.871 -0.983 17842 3150 1 5 . 1 1 14 14 ASN CB C 15 39.777 39.777 39.251 0.526 17842 3151 1 5 . 1 1 14 14 ASN H H 15 8.745 8.745 8.419 0.326 17842 3152 1 5 . 1 1 15 15 ASN N N 16 120.330 120.330 121.061 -0.731 17842 3153 1 5 . 1 1 15 15 ASN C C 16 175.886 175.886 175.566 0.320 17842 3154 1 5 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.574 -0.794 17842 3155 1 5 . 1 1 15 15 ASN CB C 16 38.595 38.595 39.287 -0.692 17842 3156 1 5 . 1 1 15 15 ASN H H 16 8.494 8.494 8.595 -0.101 17842 3157 1 5 . 1 1 20 20 LYS C C 21 176.705 176.705 176.212 0.493 17842 3158 1 5 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.010 0.673 17842 3159 1 5 . 1 1 21 21 SER N N 22 115.966 115.966 122.238 -6.272 17842 3160 1 5 . 1 1 21 21 SER C C 22 174.564 174.564 174.077 0.487 17842 3161 1 5 . 1 1 21 21 SER CA C 22 58.149 58.149 58.200 -0.051 17842 3162 1 5 . 1 1 21 21 SER CB C 22 63.308 63.308 62.953 0.355 17842 3163 1 5 . 1 1 21 21 SER H H 22 8.053 8.053 9.002 -0.949 17842 3164 1 5 . 1 1 22 22 LEU N N 23 123.751 123.751 125.695 -1.944 17842 3165 1 5 . 1 1 22 22 LEU C C 23 176.968 176.968 176.894 0.074 17842 3166 1 5 . 1 1 22 22 LEU CA C 23 55.269 55.269 55.318 -0.049 17842 3167 1 5 . 1 1 22 22 LEU CB C 23 42.334 42.334 42.986 -0.652 17842 3168 1 5 . 1 1 22 22 LEU H H 23 8.006 8.006 8.453 -0.447 17842 3169 1 5 . 1 1 23 23 ASN N N 24 118.937 118.937 115.749 3.188 17842 3170 1 5 . 1 1 23 23 ASN C C 24 175.119 175.119 173.827 1.292 17842 3171 1 5 . 1 1 23 23 ASN CA C 24 52.993 52.993 52.423 0.570 17842 3172 1 5 . 1 1 23 23 ASN CB C 24 38.255 38.255 40.354 -2.099 17842 3173 1 5 . 1 1 23 23 ASN H H 24 8.136 8.136 8.143 -0.007 17842 3174 1 5 . 1 1 24 24 ARG N N 25 121.500 121.500 121.267 0.233 17842 3175 1 5 . 1 1 24 24 ARG C C 25 175.849 175.849 175.731 0.118 17842 3176 1 5 . 1 1 24 24 ARG CA C 25 56.368 56.368 55.811 0.557 17842 3177 1 5 . 1 1 24 24 ARG CB C 25 30.366 30.366 29.744 0.622 17842 3178 1 5 . 1 1 24 24 ARG H H 25 8.097 8.097 8.531 -0.434 17842 3179 1 5 . 1 1 25 25 ASN N N 26 119.196 119.196 122.714 -3.518 17842 3180 1 5 . 1 1 25 25 ASN C C 26 175.122 175.122 174.367 0.755 17842 3181 1 5 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.063 -0.002 17842 3182 1 5 . 1 1 25 25 ASN CB C 26 38.291 38.291 39.519 -1.228 17842 3183 1 5 . 1 1 25 25 ASN H H 26 8.278 8.278 8.649 -0.371 17842 3184 1 5 . 1 1 26 26 LEU N N 27 122.352 122.352 126.237 -3.885 17842 3185 1 5 . 1 1 26 26 LEU C C 27 176.903 176.903 176.433 0.470 17842 3186 1 5 . 1 1 26 26 LEU CA C 27 55.326 55.326 55.339 -0.013 17842 3187 1 5 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.827 -0.641 17842 3188 1 5 . 1 1 26 26 LEU H H 27 7.992 7.992 8.397 -0.405 17842 3189 1 5 . 1 1 27 27 ASN N N 28 118.444 118.444 118.242 0.202 17842 3190 1 5 . 1 1 27 27 ASN C C 28 174.754 174.754 174.295 0.459 17842 3191 1 5 . 1 1 27 27 ASN CA C 28 52.960 52.960 52.845 0.115 17842 3192 1 5 . 1 1 27 27 ASN CB C 28 38.419 38.419 38.468 -0.049 17842 3193 1 5 . 1 1 27 27 ASN H H 28 8.216 8.216 8.294 -0.078 17842 3194 1 5 . 1 1 28 28 SER N N 29 116.471 116.471 115.961 0.510 17842 3195 1 5 . 1 1 28 28 SER C C 29 172.778 172.778 172.646 0.132 17842 3196 1 5 . 1 1 28 28 SER CA C 29 55.982 55.982 57.984 -2.002 17842 3197 1 5 . 1 1 28 28 SER CB C 29 63.179 63.179 63.224 -0.044 17842 3198 1 5 . 1 1 28 28 SER H H 29 7.833 7.833 8.327 -0.494 17842 3199 1 5 . 1 1 29 29 PRO C C 30 176.535 176.535 176.407 0.128 17842 3200 1 5 . 1 1 29 29 PRO CA C 30 63.458 63.458 63.782 -0.324 17842 3201 1 5 . 1 1 29 29 PRO CB C 30 31.672 31.672 31.886 -0.214 17842 3202 1 5 . 1 1 30 30 ASN N N 31 118.189 118.189 115.704 2.485 17842 3203 1 5 . 1 1 30 30 ASN C C 31 175.075 175.075 175.146 -0.071 17842 3204 1 5 . 1 1 30 30 ASN CA C 31 53.051 53.051 53.484 -0.433 17842 3205 1 5 . 1 1 30 30 ASN CB C 31 38.277 38.277 38.276 0.001 17842 3206 1 5 . 1 1 30 30 ASN H H 31 8.231 8.231 8.262 -0.031 17842 3207 1 5 . 1 1 31 31 LEU N N 32 122.838 122.838 122.696 0.142 17842 3208 1 5 . 1 1 31 31 LEU C C 32 176.800 176.800 177.930 -1.130 17842 3209 1 5 . 1 1 31 31 LEU CA C 32 55.107 55.107 56.402 -1.295 17842 3210 1 5 . 1 1 31 31 LEU CB C 32 42.291 42.291 41.859 0.432 17842 3211 1 5 . 1 1 31 31 LEU H H 32 8.011 8.011 8.178 -0.167 17842 3212 1 5 . 1 1 32 32 ASP N N 33 120.740 120.740 119.630 1.110 17842 3213 1 5 . 1 1 32 32 ASP C C 33 175.863 175.863 175.738 0.125 17842 3214 1 5 . 1 1 32 32 ASP CA C 33 54.331 54.331 55.093 -0.762 17842 3215 1 5 . 1 1 32 32 ASP CB C 33 40.758 40.758 40.904 -0.146 17842 3216 1 5 . 1 1 32 32 ASP H H 33 8.151 8.151 8.160 -0.009 17842 3217 1 5 . 1 1 33 33 LYS N N 34 120.746 120.746 117.965 2.781 17842 3218 1 5 . 1 1 33 33 LYS C C 34 175.912 175.912 176.290 -0.378 17842 3219 1 5 . 1 1 33 33 LYS CA C 34 55.865 55.865 56.214 -0.349 17842 3220 1 5 . 1 1 33 33 LYS CB C 34 32.738 32.738 31.655 1.083 17842 3221 1 5 . 1 1 33 33 LYS H H 34 7.933 7.933 8.147 -0.214 17842 3222 1 5 . 1 1 34 34 VAL N N 35 121.590 121.590 119.749 1.841 17842 3223 1 5 . 1 1 34 34 VAL C C 35 175.691 175.691 176.077 -0.386 17842 3224 1 5 . 1 1 34 34 VAL CA C 35 62.186 62.186 63.274 -1.088 17842 3225 1 5 . 1 1 34 34 VAL CB C 35 32.591 32.591 31.746 0.845 17842 3226 1 5 . 1 1 34 34 VAL H H 35 7.995 7.995 8.540 -0.545 17842 3227 1 5 . 1 1 35 35 ILE N N 36 124.025 124.025 115.505 8.520 17842 3228 1 5 . 1 1 35 35 ILE C C 36 175.266 175.266 174.884 0.382 17842 3229 1 5 . 1 1 35 35 ILE CA C 36 60.495 60.495 61.778 -1.282 17842 3230 1 5 . 1 1 35 35 ILE CB C 36 38.489 38.489 38.067 0.422 17842 3231 1 5 . 1 1 35 35 ILE H H 36 8.034 8.034 7.478 0.556 17842 3232 1 5 . 1 1 36 36 ASP N N 37 125.860 125.860 122.301 3.559 17842 3233 1 5 . 1 1 36 36 ASP C C 37 175.014 175.014 175.976 -0.962 17842 3234 1 5 . 1 1 36 36 ASP CA C 37 53.719 53.719 54.924 -1.205 17842 3235 1 5 . 1 1 36 36 ASP CB C 37 41.755 41.755 41.713 0.042 17842 3236 1 5 . 1 1 36 36 ASP H H 37 8.190 8.190 8.449 -0.259 17842 3237 1 5 . 1 1 37 37 ASN N N 38 120.770 120.770 116.495 4.275 17842 3238 1 5 . 1 1 37 37 ASN C C 38 174.821 174.821 174.042 0.779 17842 3239 1 5 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.849 -0.692 17842 3240 1 5 . 1 1 37 37 ASN CB C 38 38.663 38.663 38.156 0.507 17842 3241 1 5 . 1 1 37 37 ASN H H 38 8.334 8.334 8.271 0.063 17842 3242 1 5 . 1 1 38 38 THR N N 39 115.976 115.976 118.099 -2.123 17842 3243 1 5 . 1 1 38 38 THR C C 39 175.226 175.226 173.462 1.764 17842 3244 1 5 . 1 1 38 38 THR CA C 39 62.215 62.215 61.703 0.512 17842 3245 1 5 . 1 1 38 38 THR CB C 39 69.618 69.618 69.244 0.374 17842 3246 1 5 . 1 1 38 38 THR H H 39 8.508 8.508 8.415 0.093 17842 3247 1 5 . 1 1 39 39 GLY N N 40 115.818 115.818 112.715 3.103 17842 3248 1 5 . 1 1 39 39 GLY C C 40 172.862 172.862 172.547 0.315 17842 3249 1 5 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.631 0.537 17842 3250 1 5 . 1 1 39 39 GLY H H 40 8.819 8.819 8.102 0.717 17842 3251 1 5 . 1 1 40 40 THR N N 41 119.787 119.787 118.543 1.244 17842 3252 1 5 . 1 1 40 40 THR C C 41 172.914 172.914 173.499 -0.585 17842 3253 1 5 . 1 1 40 40 THR CA C 41 61.321 61.321 61.333 -0.012 17842 3254 1 5 . 1 1 40 40 THR CB C 41 71.499 71.499 69.729 1.770 17842 3255 1 5 . 1 1 40 40 THR H H 41 8.117 8.117 7.695 0.422 17842 3256 1 5 . 1 1 41 41 TRP N N 42 128.090 128.090 127.725 0.365 17842 3257 1 5 . 1 1 41 41 TRP C C 42 174.627 174.627 175.316 -0.689 17842 3258 1 5 . 1 1 41 41 TRP CA C 42 55.122 55.122 56.429 -1.307 17842 3259 1 5 . 1 1 41 41 TRP CB C 42 31.905 31.905 33.966 -2.061 17842 3260 1 5 . 1 1 41 41 TRP H H 42 8.178 8.178 9.430 -1.252 17842 3261 1 5 . 1 1 42 42 GLY N N 43 109.883 109.883 105.177 4.706 17842 3262 1 5 . 1 1 42 42 GLY C C 43 172.317 172.317 172.884 -0.567 17842 3263 1 5 . 1 1 42 42 GLY CA C 43 44.176 44.176 45.373 -1.197 17842 3264 1 5 . 1 1 42 42 GLY H H 43 8.892 8.892 8.351 0.541 17842 3265 1 5 . 1 1 43 43 ILE N N 44 118.005 118.005 119.456 -1.451 17842 3266 1 5 . 1 1 43 43 ILE C C 44 173.071 173.071 174.333 -1.262 17842 3267 1 5 . 1 1 43 43 ILE CA C 44 58.606 58.606 60.653 -2.047 17842 3268 1 5 . 1 1 43 43 ILE CB C 44 42.130 42.130 43.458 -1.328 17842 3269 1 5 . 1 1 43 43 ILE H H 44 8.879 8.879 8.015 0.864 17842 3270 1 5 . 1 1 44 44 ARG N N 45 120.855 120.855 121.776 -0.921 17842 3271 1 5 . 1 1 44 44 ARG C C 45 174.942 174.942 174.585 0.357 17842 3272 1 5 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.630 -1.741 17842 3273 1 5 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.932 -0.980 17842 3274 1 5 . 1 1 44 44 ARG H H 45 8.708 8.708 9.266 -0.558 17842 3275 1 5 . 1 1 45 45 ALA N N 46 119.127 119.127 127.461 -8.334 17842 3276 1 5 . 1 1 45 45 ALA C C 46 175.693 175.693 175.345 0.348 17842 3277 1 5 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.256 -1.636 17842 3278 1 5 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.859 -0.077 17842 3279 1 5 . 1 1 45 45 ALA H H 46 8.419 8.419 8.632 -0.213 17842 3280 1 5 . 1 1 46 46 GLY N N 47 107.350 107.350 110.299 -2.949 17842 3281 1 5 . 1 1 46 46 GLY C C 47 171.353 171.353 171.944 -0.591 17842 3282 1 5 . 1 1 46 46 GLY CA C 47 45.630 45.630 46.206 -0.576 17842 3283 1 5 . 1 1 46 46 GLY H H 47 7.819 7.819 9.423 -1.604 17842 3284 1 5 . 1 1 47 47 GLN N N 48 118.061 118.061 119.671 -1.610 17842 3285 1 5 . 1 1 47 47 GLN C C 48 173.671 173.671 174.406 -0.735 17842 3286 1 5 . 1 1 47 47 GLN CA C 48 54.365 54.365 53.744 0.621 17842 3287 1 5 . 1 1 47 47 GLN CB C 48 32.912 32.912 32.672 0.240 17842 3288 1 5 . 1 1 47 47 GLN H H 48 8.483 8.483 8.272 0.211 17842 3289 1 5 . 1 1 48 48 GLN N N 49 122.691 122.691 123.258 -0.567 17842 3290 1 5 . 1 1 48 48 GLN C C 49 173.291 173.291 174.023 -0.732 17842 3291 1 5 . 1 1 48 48 GLN CA C 49 54.593 54.593 55.266 -0.673 17842 3292 1 5 . 1 1 48 48 GLN CB C 49 30.750 30.750 31.533 -0.783 17842 3293 1 5 . 1 1 48 48 GLN H H 49 9.319 9.319 9.290 0.029 17842 3294 1 5 . 1 1 49 49 PHE N N 50 126.379 126.379 128.204 -1.825 17842 3295 1 5 . 1 1 49 49 PHE C C 50 175.918 175.918 175.131 0.787 17842 3296 1 5 . 1 1 49 49 PHE CA C 50 55.013 55.013 55.964 -0.951 17842 3297 1 5 . 1 1 49 49 PHE CB C 50 39.974 39.974 42.736 -2.762 17842 3298 1 5 . 1 1 49 49 PHE H H 50 8.781 8.781 9.464 -0.683 17842 3299 1 5 . 1 1 50 50 GLU N N 51 121.087 121.087 120.112 0.975 17842 3300 1 5 . 1 1 50 50 GLU C C 51 178.452 178.452 175.757 2.695 17842 3301 1 5 . 1 1 50 50 GLU CA C 51 60.435 60.435 58.233 2.201 17842 3302 1 5 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.145 -0.459 17842 3303 1 5 . 1 1 50 50 GLU H H 51 8.975 8.975 7.516 1.459 17842 3304 1 5 . 1 1 51 51 GLN N N 52 111.198 111.198 117.247 -6.049 17842 3305 1 5 . 1 1 51 51 GLN C C 52 176.031 176.031 175.146 0.885 17842 3306 1 5 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.185 0.651 17842 3307 1 5 . 1 1 51 51 GLN CB C 52 28.617 28.617 29.192 -0.575 17842 3308 1 5 . 1 1 51 51 GLN H H 52 7.955 7.955 7.595 0.360 17842 3309 1 5 . 1 1 52 52 GLY N N 53 110.800 110.800 107.553 3.247 17842 3310 1 5 . 1 1 52 52 GLY C C 53 169.076 169.076 171.660 -2.584 17842 3311 1 5 . 1 1 52 52 GLY CA C 53 45.303 45.303 45.676 -0.373 17842 3312 1 5 . 1 1 52 52 GLY H H 53 6.696 6.696 7.454 -0.758 17842 3313 1 5 . 1 1 53 53 ARG N N 54 111.857 111.857 122.595 -10.738 17842 3314 1 5 . 1 1 53 53 ARG C C 54 172.397 172.397 174.794 -2.397 17842 3315 1 5 . 1 1 53 53 ARG CA C 54 54.227 54.227 53.334 0.893 17842 3316 1 5 . 1 1 53 53 ARG CB C 54 31.755 31.755 34.589 -2.834 17842 3317 1 5 . 1 1 53 53 ARG H H 54 8.216 8.216 8.813 -0.597 17842 3318 1 5 . 1 1 54 54 TYR N N 55 116.379 116.379 118.284 -1.905 17842 3319 1 5 . 1 1 54 54 TYR C C 55 175.461 175.461 174.910 0.551 17842 3320 1 5 . 1 1 54 54 TYR CA C 55 55.296 55.296 59.665 -4.369 17842 3321 1 5 . 1 1 54 54 TYR CB C 55 41.539 41.539 36.924 4.615 17842 3322 1 5 . 1 1 54 54 TYR H H 55 8.477 8.477 8.291 0.186 17842 3323 1 5 . 1 1 55 55 TYR N N 56 114.651 114.651 117.841 -3.190 17842 3324 1 5 . 1 1 55 55 TYR C C 56 173.431 173.431 173.697 -0.266 17842 3325 1 5 . 1 1 55 55 TYR CA C 56 55.886 55.886 59.100 -3.214 17842 3326 1 5 . 1 1 55 55 TYR CB C 56 37.595 37.595 41.313 -3.718 17842 3327 1 5 . 1 1 55 55 TYR H H 56 8.221 8.221 8.490 -0.269 17842 3328 1 5 . 1 1 56 56 ALA N N 57 125.460 125.460 121.372 4.088 17842 3329 1 5 . 1 1 56 56 ALA C C 57 175.737 175.737 175.450 0.287 17842 3330 1 5 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.476 -1.328 17842 3331 1 5 . 1 1 56 56 ALA CB C 57 20.777 20.777 21.993 -1.216 17842 3332 1 5 . 1 1 56 56 ALA H H 57 9.034 9.034 7.829 1.205 17842 3333 1 5 . 1 1 57 57 THR N N 58 116.923 116.923 116.965 -0.042 17842 3334 1 5 . 1 1 57 57 THR C C 58 173.462 173.462 173.268 0.194 17842 3335 1 5 . 1 1 57 57 THR CA C 58 61.458 61.458 60.637 0.821 17842 3336 1 5 . 1 1 57 57 THR CB C 58 71.683 71.683 70.215 1.468 17842 3337 1 5 . 1 1 57 57 THR H H 58 8.907 8.907 8.874 0.033 17842 3338 1 5 . 1 1 58 58 TYR N N 59 126.784 126.784 124.455 2.329 17842 3339 1 5 . 1 1 58 58 TYR C C 59 173.954 173.954 175.216 -1.262 17842 3340 1 5 . 1 1 58 58 TYR CA C 59 55.682 55.682 56.452 -0.770 17842 3341 1 5 . 1 1 58 58 TYR CB C 59 41.320 41.320 41.812 -0.492 17842 3342 1 5 . 1 1 58 58 TYR H H 59 8.974 8.974 9.142 -0.168 17842 3343 1 5 . 1 1 59 59 GLU N N 60 124.211 124.211 119.931 4.280 17842 3344 1 5 . 1 1 59 59 GLU C C 60 173.989 173.989 174.761 -0.772 17842 3345 1 5 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.770 -1.846 17842 3346 1 5 . 1 1 59 59 GLU CB C 60 33.742 33.742 34.645 -0.902 17842 3347 1 5 . 1 1 59 59 GLU H H 60 8.049 8.049 8.657 -0.608 17842 3348 1 5 . 1 1 60 60 ASN N N 61 118.358 118.358 120.093 -1.735 17842 3349 1 5 . 1 1 60 60 ASN C C 61 173.609 173.609 172.979 0.630 17842 3350 1 5 . 1 1 60 60 ASN CA C 61 52.281 52.281 53.478 -1.197 17842 3351 1 5 . 1 1 60 60 ASN H H 61 8.155 8.155 8.937 -0.782 17842 3352 1 5 . 1 1 61 61 ILE C C 62 174.902 174.902 174.921 -0.019 17842 3353 1 5 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.533 0.446 17842 3354 1 5 . 1 1 61 61 ILE CB C 62 40.772 40.772 40.589 0.183 17842 3355 1 5 . 1 1 62 62 SER N N 63 121.368 121.368 120.075 1.293 17842 3356 1 5 . 1 1 62 62 SER C C 63 173.027 173.027 175.312 -2.285 17842 3357 1 5 . 1 1 62 62 SER CA C 63 57.295 57.295 60.373 -3.078 17842 3358 1 5 . 1 1 62 62 SER CB C 63 64.306 64.306 64.601 -0.295 17842 3359 1 5 . 1 1 62 62 SER H H 63 8.339 8.339 9.033 -0.694 17842 3360 1 5 . 1 1 63 63 ASP N N 64 124.300 124.300 117.100 7.200 17842 3361 1 5 . 1 1 63 63 ASP C C 64 176.570 176.570 176.083 0.487 17842 3362 1 5 . 1 1 63 63 ASP CA C 64 53.291 53.291 56.881 -3.590 17842 3363 1 5 . 1 1 63 63 ASP CB C 64 42.484 42.484 39.627 2.857 17842 3364 1 5 . 1 1 63 63 ASP H H 64 8.596 8.596 8.684 -0.088 17842 3365 1 5 . 1 1 64 64 THR N N 65 116.756 116.756 115.673 1.083 17842 3366 1 5 . 1 1 64 64 THR C C 65 175.975 175.975 176.590 -0.615 17842 3367 1 5 . 1 1 64 64 THR CA C 65 61.608 61.608 62.648 -1.040 17842 3368 1 5 . 1 1 64 64 THR CB C 65 68.856 68.856 69.565 -0.709 17842 3369 1 5 . 1 1 64 64 THR H H 65 8.581 8.581 8.196 0.385 17842 3370 1 5 . 1 1 65 65 SER N N 66 119.276 119.276 123.035 -3.759 17842 3371 1 5 . 1 1 65 65 SER CA C 66 59.728 59.728 60.110 -0.382 17842 3372 1 5 . 1 1 65 65 SER CB C 66 63.514 63.514 63.392 0.122 17842 3373 1 5 . 1 1 65 65 SER H H 66 8.492 8.492 8.770 -0.278 17842 3374 1 5 . 1 1 66 66 SER C C 67 175.122 175.122 173.674 1.448 17842 3375 1 5 . 1 1 66 66 SER CA C 67 58.554 58.554 58.435 0.119 17842 3376 1 5 . 1 1 67 67 GLY N N 68 110.266 110.266 108.740 1.526 17842 3377 1 5 . 1 1 67 67 GLY C C 68 173.832 173.832 171.840 1.992 17842 3378 1 5 . 1 1 67 67 GLY CA C 68 45.207 45.207 45.504 -0.297 17842 3379 1 5 . 1 1 67 67 GLY H H 68 8.184 8.184 7.334 0.850 17842 3380 1 5 . 1 1 68 68 ASN N N 69 118.584 118.584 119.980 -1.396 17842 3381 1 5 . 1 1 68 68 ASN C C 69 174.239 174.239 175.998 -1.759 17842 3382 1 5 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.242 0.488 17842 3383 1 5 . 1 1 68 68 ASN CB C 69 38.938 38.938 39.877 -0.939 17842 3384 1 5 . 1 1 68 68 ASN H H 69 7.972 7.972 8.079 -0.107 17842 3385 1 5 . 1 1 72 72 GLN C C 73 173.610 173.610 173.667 -0.057 17842 3386 1 5 . 1 1 72 72 GLN CA C 73 53.449 53.449 55.134 -1.685 17842 3387 1 5 . 1 1 73 73 GLN N N 74 123.659 123.659 125.434 -1.775 17842 3388 1 5 . 1 1 73 73 GLN C C 74 173.276 173.276 174.506 -1.230 17842 3389 1 5 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.738 -1.194 17842 3390 1 5 . 1 1 73 73 GLN CB C 74 34.344 34.344 32.289 2.055 17842 3391 1 5 . 1 1 73 73 GLN H H 74 8.697 8.697 8.158 0.539 17842 3392 1 5 . 1 1 74 74 ASN N N 75 118.720 118.720 122.052 -3.332 17842 3393 1 5 . 1 1 74 74 ASN C C 75 173.733 173.733 174.046 -0.313 17842 3394 1 5 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.680 -2.411 17842 3395 1 5 . 1 1 74 74 ASN CB C 75 40.070 40.070 40.987 -0.917 17842 3396 1 5 . 1 1 74 74 ASN H H 75 8.295 8.295 8.486 -0.191 17842 3397 1 5 . 1 1 75 75 LEU N N 76 124.353 124.353 125.325 -0.972 17842 3398 1 5 . 1 1 75 75 LEU C C 76 174.267 174.267 174.918 -0.651 17842 3399 1 5 . 1 1 75 75 LEU CA C 76 53.916 53.916 54.888 -0.972 17842 3400 1 5 . 1 1 75 75 LEU CB C 76 44.633 44.633 43.162 1.471 17842 3401 1 5 . 1 1 75 75 LEU H H 76 8.847 8.847 8.067 0.780 17842 3402 1 5 . 1 1 76 76 LEU N N 77 124.437 124.437 121.830 2.607 17842 3403 1 5 . 1 1 76 76 LEU C C 77 175.188 175.188 175.381 -0.193 17842 3404 1 5 . 1 1 76 76 LEU CA C 77 52.934 52.934 53.968 -1.034 17842 3405 1 5 . 1 1 76 76 LEU CB C 77 45.115 45.115 46.310 -1.196 17842 3406 1 5 . 1 1 76 76 LEU H H 77 9.222 9.222 8.712 0.510 17842 3407 1 5 . 1 1 77 77 GLY N N 78 107.288 107.288 107.376 -0.088 17842 3408 1 5 . 1 1 77 77 GLY C C 78 171.733 171.733 173.331 -1.598 17842 3409 1 5 . 1 1 77 77 GLY CA C 78 44.160 44.160 43.990 0.170 17842 3410 1 5 . 1 1 77 77 GLY H H 78 9.132 9.132 8.893 0.239 17842 3411 1 5 . 1 1 78 78 SER N N 79 117.437 117.437 122.422 -4.985 17842 3412 1 5 . 1 1 78 78 SER C C 79 171.279 171.279 173.286 -2.007 17842 3413 1 5 . 1 1 78 78 SER CA C 79 57.272 57.272 58.032 -0.760 17842 3414 1 5 . 1 1 78 78 SER CB C 79 65.596 65.596 64.601 0.995 17842 3415 1 5 . 1 1 78 78 SER H H 79 8.210 8.210 8.578 -0.368 17842 3416 1 5 . 1 1 79 79 TYR N N 80 122.901 122.901 129.624 -6.723 17842 3417 1 5 . 1 1 79 79 TYR C C 80 173.757 173.757 173.205 0.552 17842 3418 1 5 . 1 1 79 79 TYR CA C 80 56.243 56.243 57.137 -0.894 17842 3419 1 5 . 1 1 79 79 TYR CB C 80 42.570 42.570 41.622 0.948 17842 3420 1 5 . 1 1 79 79 TYR H H 80 8.092 8.092 8.912 -0.820 17842 3421 1 5 . 1 1 80 80 ASP N N 81 122.808 122.808 127.022 -4.214 17842 3422 1 5 . 1 1 80 80 ASP C C 81 173.607 173.607 173.289 0.318 17842 3423 1 5 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.627 0.038 17842 3424 1 5 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.937 -0.150 17842 3425 1 5 . 1 1 80 80 ASP H H 81 8.268 8.268 8.595 -0.327 17842 3426 1 5 . 1 1 81 81 ALA N N 82 121.201 121.201 121.810 -0.609 17842 3427 1 5 . 1 1 81 81 ALA C C 82 177.094 177.094 176.421 0.673 17842 3428 1 5 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.574 -0.829 17842 3429 1 5 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.693 0.818 17842 3430 1 5 . 1 1 81 81 ALA H H 82 8.931 8.931 7.812 1.119 17842 3431 1 5 . 1 1 82 82 PHE N N 83 116.305 116.305 122.429 -6.124 17842 3432 1 5 . 1 1 82 82 PHE C C 83 176.299 176.299 174.080 2.219 17842 3433 1 5 . 1 1 82 82 PHE CA C 83 52.664 52.664 56.190 -3.526 17842 3434 1 5 . 1 1 82 82 PHE CB C 83 42.121 42.121 40.926 1.195 17842 3435 1 5 . 1 1 82 82 PHE H H 83 7.404 7.404 8.132 -0.728 17842 3436 1 5 . 1 1 83 83 LEU N N 84 122.208 122.208 119.495 2.713 17842 3437 1 5 . 1 1 83 83 LEU C C 84 173.599 173.599 174.650 -1.051 17842 3438 1 5 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.580 -0.706 17842 3439 1 5 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.183 -0.817 17842 3440 1 5 . 1 1 83 83 LEU H H 84 9.049 9.049 7.918 1.131 17842 3441 1 5 . 1 1 84 84 PRO C C 85 175.877 175.877 175.937 -0.060 17842 3442 1 5 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.352 -0.311 17842 3443 1 5 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.343 0.143 17842 3444 1 5 . 1 1 85 85 ILE N N 86 119.588 119.588 126.932 -7.344 17842 3445 1 5 . 1 1 85 85 ILE C C 86 175.749 175.749 175.013 0.736 17842 3446 1 5 . 1 1 85 85 ILE CA C 86 59.267 59.267 60.258 -0.991 17842 3447 1 5 . 1 1 85 85 ILE CB C 86 39.835 39.835 39.082 0.753 17842 3448 1 5 . 1 1 85 85 ILE H H 86 8.205 8.205 8.025 0.180 17842 3449 1 5 . 1 1 86 86 GLY N N 87 112.396 112.396 116.239 -3.843 17842 3450 1 5 . 1 1 86 86 GLY C C 87 174.218 174.218 173.575 0.643 17842 3451 1 5 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.831 -0.139 17842 3452 1 5 . 1 1 86 86 GLY H H 87 8.364 8.364 8.799 -0.435 17842 3453 1 5 . 1 1 87 87 ASP N N 88 122.109 122.109 121.585 0.524 17842 3454 1 5 . 1 1 87 87 ASP C C 88 175.839 175.839 175.422 0.417 17842 3455 1 5 . 1 1 87 87 ASP CA C 88 53.535 53.535 54.986 -1.451 17842 3456 1 5 . 1 1 87 87 ASP CB C 88 41.132 41.132 41.666 -0.534 17842 3457 1 5 . 1 1 87 87 ASP H H 88 8.249 8.249 8.635 -0.386 17842 3458 1 5 . 1 1 88 88 ASN N N 89 116.308 116.308 117.217 -0.909 17842 3459 1 5 . 1 1 88 88 ASN C C 89 175.100 175.100 174.165 0.935 17842 3460 1 5 . 1 1 88 88 ASN CA C 89 53.922 53.922 53.566 0.356 17842 3461 1 5 . 1 1 88 88 ASN CB C 89 38.183 38.183 38.841 -0.658 17842 3462 1 5 . 1 1 88 88 ASN H H 89 8.449 8.449 8.589 -0.141 17842 3463 1 5 . 1 1 89 89 ASN N N 90 115.987 115.987 117.607 -1.620 17842 3464 1 5 . 1 1 89 89 ASN C C 90 173.909 173.909 175.659 -1.750 17842 3465 1 5 . 1 1 89 89 ASN CA C 90 54.386 54.386 53.473 0.913 17842 3466 1 5 . 1 1 89 89 ASN CB C 90 37.657 37.657 40.385 -2.728 17842 3467 1 5 . 1 1 89 89 ASN H H 90 8.477 8.477 8.476 0.001 17842 3468 1 5 . 1 1 90 90 THR N N 91 116.991 116.991 115.928 1.063 17842 3469 1 5 . 1 1 90 90 THR C C 91 173.763 173.763 173.585 0.178 17842 3470 1 5 . 1 1 90 90 THR CA C 91 62.170 62.170 62.800 -0.630 17842 3471 1 5 . 1 1 90 90 THR CB C 91 68.706 68.706 69.266 -0.560 17842 3472 1 5 . 1 1 90 90 THR H H 91 7.600 7.600 8.249 -0.649 17842 3473 1 5 . 1 1 91 91 LYS N N 92 124.349 124.349 124.107 0.242 17842 3474 1 5 . 1 1 91 91 LYS C C 92 175.815 175.815 176.217 -0.402 17842 3475 1 5 . 1 1 91 91 LYS CA C 92 54.406 54.406 54.965 -0.560 17842 3476 1 5 . 1 1 91 91 LYS CB C 92 34.498 34.498 32.923 1.575 17842 3477 1 5 . 1 1 91 91 LYS H H 92 9.249 9.249 8.605 0.644 17842 3478 1 5 . 1 1 92 92 LEU N N 93 123.462 123.462 129.230 -5.768 17842 3479 1 5 . 1 1 92 92 LEU C C 93 176.260 176.260 175.665 0.595 17842 3480 1 5 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.179 -1.350 17842 3481 1 5 . 1 1 92 92 LEU CB C 93 43.614 43.614 41.921 1.693 17842 3482 1 5 . 1 1 92 92 LEU H H 93 8.650 8.650 8.052 0.598 17842 3483 1 5 . 1 1 93 93 PHE N N 94 119.497 119.497 123.118 -3.621 17842 3484 1 5 . 1 1 93 93 PHE C C 94 173.154 173.154 175.213 -2.059 17842 3485 1 5 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.248 0.888 17842 3486 1 5 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.216 1.877 17842 3487 1 5 . 1 1 93 93 PHE H H 94 8.485 8.485 7.470 1.015 17842 3488 1 5 . 1 1 94 94 GLY N N 95 105.945 105.945 106.821 -0.876 17842 3489 1 5 . 1 1 94 94 GLY C C 95 171.815 171.815 172.822 -1.007 17842 3490 1 5 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.674 -1.292 17842 3491 1 5 . 1 1 94 94 GLY H H 95 8.256 8.256 8.123 0.133 17842 3492 1 5 . 1 1 95 95 GLY N N 96 110.432 110.432 110.564 -0.132 17842 3493 1 5 . 1 1 95 95 GLY C C 96 171.826 171.826 172.073 -0.247 17842 3494 1 5 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.532 1.354 17842 3495 1 5 . 1 1 95 95 GLY H H 96 9.005 9.005 8.279 0.726 17842 3496 1 5 . 1 1 96 96 ALA N N 97 117.509 117.509 121.591 -4.082 17842 3497 1 5 . 1 1 96 96 ALA C C 97 176.928 176.928 175.234 1.694 17842 3498 1 5 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.847 -1.446 17842 3499 1 5 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.573 0.852 17842 3500 1 5 . 1 1 96 96 ALA H H 97 8.039 8.039 8.143 -0.104 17842 3501 1 5 . 1 1 97 97 THR N N 98 118.891 118.891 114.632 4.259 17842 3502 1 5 . 1 1 97 97 THR C C 98 172.492 172.492 173.035 -0.543 17842 3503 1 5 . 1 1 97 97 THR CA C 98 61.730 61.730 59.452 2.278 17842 3504 1 5 . 1 1 97 97 THR CB C 98 73.046 73.046 71.150 1.895 17842 3505 1 5 . 1 1 97 97 THR H H 98 8.379 8.379 8.100 0.279 17842 3506 1 5 . 1 1 98 98 LEU N N 99 124.958 124.958 119.866 5.092 17842 3507 1 5 . 1 1 98 98 LEU C C 99 175.753 175.753 174.815 0.938 17842 3508 1 5 . 1 1 98 98 LEU CA C 99 53.474 53.474 54.219 -0.745 17842 3509 1 5 . 1 1 98 98 LEU CB C 99 47.243 47.243 44.944 2.299 17842 3510 1 5 . 1 1 98 98 LEU H H 99 8.880 8.880 8.347 0.533 17842 3511 1 5 . 1 1 99 99 GLY N N 100 106.645 106.645 109.868 -3.223 17842 3512 1 5 . 1 1 99 99 GLY C C 100 169.886 169.886 172.000 -2.114 17842 3513 1 5 . 1 1 99 99 GLY CA C 100 46.631 46.631 45.191 1.440 17842 3514 1 5 . 1 1 99 99 GLY H H 100 8.635 8.635 8.614 0.021 17842 3515 1 5 . 1 1 100 100 LEU N N 101 121.823 121.823 115.897 5.926 17842 3516 1 5 . 1 1 100 100 LEU C C 101 174.876 174.876 175.061 -0.185 17842 3517 1 5 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.627 -1.556 17842 3518 1 5 . 1 1 100 100 LEU CB C 101 46.646 46.646 45.538 1.107 17842 3519 1 5 . 1 1 100 100 LEU H H 101 9.088 9.088 8.657 0.431 17842 3520 1 5 . 1 1 101 101 VAL N N 102 118.857 118.857 122.089 -3.232 17842 3521 1 5 . 1 1 101 101 VAL C C 102 174.015 174.015 175.094 -1.079 17842 3522 1 5 . 1 1 101 101 VAL CA C 102 59.666 59.666 60.489 -0.823 17842 3523 1 5 . 1 1 101 101 VAL CB C 102 35.406 35.406 33.284 2.122 17842 3524 1 5 . 1 1 101 101 VAL H H 102 8.291 8.291 8.407 -0.116 17842 3525 1 5 . 1 1 102 102 LYS N N 103 126.552 126.552 127.655 -1.103 17842 3526 1 5 . 1 1 102 102 LYS C C 103 174.712 174.712 174.039 0.673 17842 3527 1 5 . 1 1 102 102 LYS CA C 103 54.433 54.433 54.520 -0.087 17842 3528 1 5 . 1 1 102 102 LYS CB C 103 35.733 35.733 35.721 0.012 17842 3529 1 5 . 1 1 102 102 LYS H H 103 9.141 9.141 8.142 0.999 17842 3530 1 5 . 1 1 103 103 LEU N N 104 129.605 129.605 126.113 3.492 17842 3531 1 5 . 1 1 103 103 LEU C C 104 175.344 175.344 175.298 0.046 17842 3532 1 5 . 1 1 103 103 LEU CA C 104 53.492 53.492 54.343 -0.851 17842 3533 1 5 . 1 1 103 103 LEU CB C 104 45.004 45.004 44.994 0.010 17842 3534 1 5 . 1 1 103 103 LEU H H 104 8.921 8.921 8.743 0.178 17842 3535 1 5 . 1 1 104 104 GLU C C 105 174.715 174.715 174.210 0.505 17842 3536 1 5 . 1 1 104 104 GLU CA C 105 54.626 54.626 56.996 -2.370 17842 3537 1 5 . 1 1 104 104 GLU CB C 105 33.055 33.055 33.182 -0.127 17842 3538 1 5 . 1 1 105 105 GLN N N 106 121.991 121.991 123.811 -1.820 17842 3539 1 5 . 1 1 105 105 GLN C C 106 175.002 175.002 174.343 0.659 17842 3540 1 5 . 1 1 105 105 GLN CA C 106 54.679 54.679 54.834 -0.155 17842 3541 1 5 . 1 1 105 105 GLN CB C 106 30.252 30.252 31.865 -1.613 17842 3542 1 5 . 1 1 105 105 GLN H H 106 8.532 8.532 8.571 -0.039 17842 3543 1 5 . 1 1 106 106 ASP N N 107 123.884 123.884 124.319 -0.435 17842 3544 1 5 . 1 1 106 106 ASP C C 107 176.352 176.352 176.081 0.271 17842 3545 1 5 . 1 1 106 106 ASP CA C 107 54.108 54.108 54.977 -0.869 17842 3546 1 5 . 1 1 106 106 ASP CB C 107 41.448 41.448 40.989 0.459 17842 3547 1 5 . 1 1 106 106 ASP H H 107 8.414 8.414 8.488 -0.074 17842 3548 1 5 . 1 1 107 107 GLY N N 108 110.294 110.294 110.982 -0.688 17842 3549 1 5 . 1 1 107 107 GLY C C 108 174.111 174.111 173.229 0.882 17842 3550 1 5 . 1 1 107 107 GLY CA C 108 44.992 44.992 44.944 0.048 17842 3551 1 5 . 1 1 107 107 GLY H H 108 8.226 8.226 8.106 0.120 17842 3552 1 5 . 1 1 108 108 LYS N N 109 121.045 121.045 121.556 -0.511 17842 3553 1 5 . 1 1 108 108 LYS C C 109 176.988 176.988 176.007 0.981 17842 3554 1 5 . 1 1 108 108 LYS CA C 109 56.243 56.243 55.548 0.695 17842 3555 1 5 . 1 1 108 108 LYS CB C 109 31.957 31.957 31.167 0.790 17842 3556 1 5 . 1 1 108 108 LYS H H 109 8.130 8.130 8.321 -0.191 17842 3557 1 5 . 1 1 109 109 GLY N N 110 109.975 109.975 112.119 -2.144 17842 3558 1 5 . 1 1 109 109 GLY C C 110 173.856 173.856 173.126 0.730 17842 3559 1 5 . 1 1 109 109 GLY CA C 110 44.969 44.969 45.414 -0.445 17842 3560 1 5 . 1 1 109 109 GLY H H 110 8.313 8.313 8.162 0.151 17842 3561 1 5 . 1 1 110 110 PHE N N 111 119.873 119.873 119.984 -0.111 17842 3562 1 5 . 1 1 110 110 PHE C C 111 175.195 175.195 174.151 1.044 17842 3563 1 5 . 1 1 110 110 PHE CA C 111 57.334 57.334 56.868 0.466 17842 3564 1 5 . 1 1 110 110 PHE CB C 111 39.311 39.311 40.073 -0.762 17842 3565 1 5 . 1 1 110 110 PHE H H 111 7.848 7.848 7.386 0.462 17842 3566 1 5 . 1 1 111 111 LYS N N 112 122.900 122.900 119.732 3.168 17842 3567 1 5 . 1 1 111 111 LYS C C 112 175.898 175.898 176.689 -0.791 17842 3568 1 5 . 1 1 111 111 LYS CA C 112 55.928 55.928 54.871 1.056 17842 3569 1 5 . 1 1 111 111 LYS CB C 112 32.741 32.741 34.273 -1.532 17842 3570 1 5 . 1 1 111 111 LYS H H 112 8.073 8.073 8.335 -0.262 17842 3571 1 5 . 1 1 112 112 ARG N N 113 123.302 123.302 122.075 1.227 17842 3572 1 5 . 1 1 112 112 ARG C C 113 175.762 175.762 176.172 -0.410 17842 3573 1 5 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.968 -1.091 17842 3574 1 5 . 1 1 112 112 ARG CB C 113 30.678 30.678 30.280 0.398 17842 3575 1 5 . 1 1 112 112 ARG H H 113 8.277 8.277 8.612 -0.335 17842 3576 1 5 . 1 1 113 113 ASP N N 114 122.193 122.193 117.122 5.071 17842 3577 1 5 . 1 1 113 113 ASP C C 114 175.875 175.875 175.193 0.682 17842 3578 1 5 . 1 1 113 113 ASP CA C 114 54.219 54.219 53.813 0.406 17842 3579 1 5 . 1 1 113 113 ASP CB C 114 41.279 41.279 40.998 0.281 17842 3580 1 5 . 1 1 113 113 ASP H H 114 8.300 8.300 8.633 -0.333 17842 3581 1 5 . 1 1 114 114 SER N N 115 114.844 114.844 116.486 -1.642 17842 3582 1 5 . 1 1 114 114 SER C C 115 173.567 173.567 174.645 -1.078 17842 3583 1 5 . 1 1 114 114 SER CA C 115 57.538 57.538 58.400 -0.862 17842 3584 1 5 . 1 1 114 114 SER CB C 115 64.306 64.306 63.260 1.046 17842 3585 1 5 . 1 1 114 114 SER H H 115 8.071 8.071 7.857 0.214 17842 3586 1 5 . 1 1 115 115 ASP N N 116 122.371 122.371 120.837 1.534 17842 3587 1 5 . 1 1 115 115 ASP C C 116 175.096 175.096 174.053 1.043 17842 3588 1 5 . 1 1 115 115 ASP CA C 116 53.960 53.960 55.928 -1.968 17842 3589 1 5 . 1 1 115 115 ASP CB C 116 42.394 42.394 41.504 0.890 17842 3590 1 5 . 1 1 115 115 ASP H H 116 8.400 8.400 8.712 -0.312 17842 3591 1 5 . 1 1 116 116 VAL N N 117 120.462 120.462 112.388 8.074 17842 3592 1 5 . 1 1 116 116 VAL C C 117 175.349 175.349 174.164 1.185 17842 3593 1 5 . 1 1 116 116 VAL CA C 117 60.785 60.785 60.689 0.096 17842 3594 1 5 . 1 1 116 116 VAL CB C 117 33.507 33.507 33.014 0.493 17842 3595 1 5 . 1 1 116 116 VAL H H 117 8.014 8.014 7.485 0.529 17842 3596 1 5 . 1 1 117 117 GLY N N 118 112.807 112.807 112.500 0.307 17842 3597 1 5 . 1 1 117 117 GLY C C 118 172.079 172.079 172.649 -0.570 17842 3598 1 5 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.642 -1.387 17842 3599 1 5 . 1 1 117 117 GLY H H 118 8.871 8.871 7.934 0.937 17842 3600 1 5 . 1 1 118 118 TYR N N 119 117.704 117.704 125.285 -7.581 17842 3601 1 5 . 1 1 118 118 TYR C C 119 175.024 175.024 174.790 0.234 17842 3602 1 5 . 1 1 118 118 TYR CA C 119 55.968 55.968 58.472 -2.504 17842 3603 1 5 . 1 1 118 118 TYR CB C 119 41.089 41.089 39.186 1.903 17842 3604 1 5 . 1 1 118 118 TYR H H 119 8.406 8.406 8.143 0.263 17842 3605 1 5 . 1 1 119 119 ALA N N 120 122.050 122.050 127.552 -5.502 17842 3606 1 5 . 1 1 119 119 ALA C C 120 175.218 175.218 175.579 -0.361 17842 3607 1 5 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.668 -0.007 17842 3608 1 5 . 1 1 119 119 ALA CB C 120 23.187 23.187 22.167 1.020 17842 3609 1 5 . 1 1 119 119 ALA H H 120 8.605 8.605 8.060 0.545 17842 3610 1 5 . 1 1 120 120 ALA N N 121 119.839 119.839 124.102 -4.263 17842 3611 1 5 . 1 1 120 120 ALA C C 121 175.881 175.881 175.850 0.031 17842 3612 1 5 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.284 -1.944 17842 3613 1 5 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.819 0.646 17842 3614 1 5 . 1 1 120 120 ALA H H 121 8.476 8.476 8.031 0.445 17842 3615 1 5 . 1 1 121 121 GLY N N 122 107.807 107.807 108.871 -1.064 17842 3616 1 5 . 1 1 121 121 GLY C C 122 171.191 171.191 172.161 -0.970 17842 3617 1 5 . 1 1 121 121 GLY CA C 122 46.065 46.065 46.013 0.052 17842 3618 1 5 . 1 1 121 121 GLY H H 122 8.931 8.931 8.246 0.685 17842 3619 1 5 . 1 1 122 122 LEU N N 123 118.400 118.400 119.521 -1.121 17842 3620 1 5 . 1 1 122 122 LEU C C 123 174.684 174.684 174.556 0.128 17842 3621 1 5 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.937 -1.710 17842 3622 1 5 . 1 1 122 122 LEU CB C 123 48.385 48.385 47.279 1.106 17842 3623 1 5 . 1 1 122 122 LEU H H 123 8.351 8.351 9.011 -0.660 17842 3624 1 5 . 1 1 123 123 GLN N N 124 113.455 113.455 119.405 -5.950 17842 3625 1 5 . 1 1 123 123 GLN C C 124 173.895 173.895 174.159 -0.264 17842 3626 1 5 . 1 1 123 123 GLN CA C 124 54.004 54.004 53.795 0.209 17842 3627 1 5 . 1 1 123 123 GLN CB C 124 28.135 28.135 33.699 -5.564 17842 3628 1 5 . 1 1 123 123 GLN H H 124 8.159 8.159 8.138 0.021 17842 3629 1 5 . 1 1 124 124 ALA N N 125 118.711 118.711 120.611 -1.900 17842 3630 1 5 . 1 1 124 124 ALA C C 125 174.962 174.962 174.554 0.408 17842 3631 1 5 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.362 -1.566 17842 3632 1 5 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.033 0.973 17842 3633 1 5 . 1 1 124 124 ALA H H 125 8.638 8.638 8.460 0.178 17842 3634 1 5 . 1 1 125 125 GLY N N 126 103.783 103.783 106.864 -3.081 17842 3635 1 5 . 1 1 125 125 GLY C C 126 170.390 170.390 171.277 -0.887 17842 3636 1 5 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.003 1.407 17842 3637 1 5 . 1 1 125 125 GLY H H 126 7.103 7.103 6.711 0.392 17842 3638 1 5 . 1 1 126 126 ILE N N 127 118.306 118.306 114.853 3.453 17842 3639 1 5 . 1 1 126 126 ILE C C 127 172.353 172.353 174.011 -1.658 17842 3640 1 5 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.455 -1.862 17842 3641 1 5 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.008 1.156 17842 3642 1 5 . 1 1 126 126 ILE H H 127 8.564 8.564 8.213 0.351 17842 3643 1 5 . 1 1 127 127 LEU N N 128 129.339 129.339 128.829 0.510 17842 3644 1 5 . 1 1 127 127 LEU C C 128 173.613 173.613 176.165 -2.552 17842 3645 1 5 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.106 -0.578 17842 3646 1 5 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.306 3.498 17842 3647 1 5 . 1 1 127 127 LEU H H 128 9.236 9.236 8.159 1.077 17842 3648 1 5 . 1 1 128 128 GLN N N 129 126.801 126.801 125.457 1.344 17842 3649 1 5 . 1 1 128 128 GLN C C 129 175.093 175.093 175.242 -0.149 17842 3650 1 5 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.212 -1.018 17842 3651 1 5 . 1 1 128 128 GLN CB C 129 30.947 30.947 31.510 -0.563 17842 3652 1 5 . 1 1 128 128 GLN H H 129 9.352 9.352 9.187 0.165 17842 3653 1 5 . 1 1 129 129 GLU N N 130 126.822 126.822 123.489 3.333 17842 3654 1 5 . 1 1 129 129 GLU C C 130 176.651 176.651 175.963 0.688 17842 3655 1 5 . 1 1 129 129 GLU CA C 130 56.181 56.181 56.515 -0.334 17842 3656 1 5 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.008 -3.247 17842 3657 1 5 . 1 1 129 129 GLU H H 130 8.518 8.518 8.809 -0.291 17842 3658 1 5 . 1 1 130 130 LEU N N 131 126.031 126.031 124.988 1.043 17842 3659 1 5 . 1 1 130 130 LEU C C 131 176.044 176.044 176.613 -0.569 17842 3660 1 5 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.880 -0.705 17842 3661 1 5 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.959 -0.104 17842 3662 1 5 . 1 1 130 130 LEU H H 131 8.708 8.708 8.628 0.080 17842 3663 1 5 . 1 1 131 131 SER N N 132 113.049 113.049 114.011 -0.962 17842 3664 1 5 . 1 1 131 131 SER C C 132 174.092 174.092 173.593 0.499 17842 3665 1 5 . 1 1 131 131 SER CA C 132 55.993 55.993 57.720 -1.727 17842 3666 1 5 . 1 1 131 131 SER CB C 132 64.945 64.945 64.708 0.237 17842 3667 1 5 . 1 1 131 131 SER H H 132 8.282 8.282 7.659 0.623 17842 3668 1 5 . 1 1 132 132 LYS C C 133 176.346 176.346 175.562 0.784 17842 3669 1 5 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.028 2.469 17842 3670 1 5 . 1 1 132 132 LYS CB C 133 31.009 31.009 32.084 -1.075 17842 3671 1 5 . 1 1 133 133 ASN N N 134 110.795 110.795 112.973 -2.178 17842 3672 1 5 . 1 1 133 133 ASN C C 134 173.897 173.897 173.535 0.362 17842 3673 1 5 . 1 1 133 133 ASN CA C 134 53.578 53.578 52.912 0.666 17842 3674 1 5 . 1 1 133 133 ASN CB C 134 40.830 40.830 37.133 3.697 17842 3675 1 5 . 1 1 133 133 ASN H H 134 7.761 7.761 7.926 -0.165 17842 3676 1 5 . 1 1 134 134 ALA N N 135 122.181 122.181 122.079 0.102 17842 3677 1 5 . 1 1 134 134 ALA C C 135 176.250 176.250 174.743 1.507 17842 3678 1 5 . 1 1 134 134 ALA CA C 135 51.157 51.157 52.340 -1.183 17842 3679 1 5 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.534 0.599 17842 3680 1 5 . 1 1 134 134 ALA H H 135 7.562 7.562 7.572 -0.010 17842 3681 1 5 . 1 1 135 135 SER N N 136 114.617 114.617 116.180 -1.563 17842 3682 1 5 . 1 1 135 135 SER C C 136 172.507 172.507 172.211 0.296 17842 3683 1 5 . 1 1 135 135 SER CA C 136 56.164 56.164 57.351 -1.187 17842 3684 1 5 . 1 1 135 135 SER CB C 136 66.255 66.255 67.477 -1.222 17842 3685 1 5 . 1 1 135 135 SER H H 136 8.717 8.717 8.090 0.627 17842 3686 1 5 . 1 1 136 136 ILE N N 137 114.495 114.495 121.735 -7.240 17842 3687 1 5 . 1 1 136 136 ILE C C 137 173.136 173.136 173.064 0.072 17842 3688 1 5 . 1 1 136 136 ILE CA C 137 58.420 58.420 59.383 -0.963 17842 3689 1 5 . 1 1 136 136 ILE CB C 137 42.700 42.700 42.378 0.322 17842 3690 1 5 . 1 1 136 136 ILE H H 137 8.592 8.592 9.164 -0.572 17842 3691 1 5 . 1 1 137 137 GLU N N 138 122.016 122.016 127.541 -5.525 17842 3692 1 5 . 1 1 137 137 GLU C C 138 173.792 173.792 175.629 -1.837 17842 3693 1 5 . 1 1 137 137 GLU CA C 138 53.537 53.537 53.381 0.156 17842 3694 1 5 . 1 1 137 137 GLU CB C 138 35.118 35.118 33.285 1.833 17842 3695 1 5 . 1 1 137 137 GLU H H 138 8.902 8.902 8.325 0.577 17842 3696 1 5 . 1 1 138 138 GLY N N 139 107.847 107.847 107.254 0.593 17842 3697 1 5 . 1 1 138 138 GLY C C 139 171.817 171.817 172.621 -0.804 17842 3698 1 5 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.063 -0.993 17842 3699 1 5 . 1 1 138 138 GLY H H 139 8.485 8.485 8.073 0.412 17842 3700 1 5 . 1 1 139 139 GLY N N 140 108.290 108.290 108.378 -0.088 17842 3701 1 5 . 1 1 139 139 GLY C C 140 169.172 169.172 172.003 -2.831 17842 3702 1 5 . 1 1 139 139 GLY CA C 140 45.714 45.714 46.026 -0.312 17842 3703 1 5 . 1 1 139 139 GLY H H 140 7.841 7.841 8.641 -0.800 17842 3704 1 5 . 1 1 140 140 TYR N N 141 119.674 119.674 119.435 0.239 17842 3705 1 5 . 1 1 140 140 TYR C C 141 173.643 173.643 173.801 -0.158 17842 3706 1 5 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.821 -1.641 17842 3707 1 5 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.928 -0.784 17842 3708 1 5 . 1 1 140 140 TYR H H 141 8.726 8.726 8.979 -0.253 17842 3709 1 5 . 1 1 141 141 ARG N N 142 125.021 125.021 121.373 3.648 17842 3710 1 5 . 1 1 141 141 ARG C C 142 173.533 173.533 174.325 -0.792 17842 3711 1 5 . 1 1 141 141 ARG CA C 142 53.813 53.813 55.358 -1.545 17842 3712 1 5 . 1 1 141 141 ARG CB C 142 33.239 33.239 34.306 -1.067 17842 3713 1 5 . 1 1 141 141 ARG H H 142 8.502 8.502 8.024 0.478 17842 3714 1 5 . 1 1 142 142 TYR N N 143 128.805 128.805 125.870 2.935 17842 3715 1 5 . 1 1 142 142 TYR C C 143 173.475 173.475 174.650 -1.175 17842 3716 1 5 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.757 -0.329 17842 3717 1 5 . 1 1 142 142 TYR CB C 143 41.642 41.642 40.194 1.448 17842 3718 1 5 . 1 1 142 142 TYR H H 143 8.978 8.978 9.505 -0.527 17842 3719 1 5 . 1 1 143 143 LEU N N 144 125.513 125.513 118.354 7.159 17842 3720 1 5 . 1 1 143 143 LEU C C 144 175.370 175.370 175.127 0.243 17842 3721 1 5 . 1 1 143 143 LEU CA C 144 52.893 52.893 53.782 -0.889 17842 3722 1 5 . 1 1 143 143 LEU CB C 144 45.924 45.924 45.902 0.022 17842 3723 1 5 . 1 1 143 143 LEU H H 144 8.117 8.117 8.604 -0.487 17842 3724 1 5 . 1 1 144 144 ARG N N 145 122.193 122.193 118.110 4.083 17842 3725 1 5 . 1 1 144 144 ARG C C 145 175.452 175.452 174.478 0.974 17842 3726 1 5 . 1 1 144 144 ARG CA C 145 54.077 54.077 55.820 -1.743 17842 3727 1 5 . 1 1 144 144 ARG CB C 145 31.377 31.377 34.760 -3.383 17842 3728 1 5 . 1 1 144 144 ARG H H 145 8.810 8.810 8.372 0.438 17842 3729 1 5 . 1 1 145 145 THR C C 146 172.708 172.708 174.267 -1.559 17842 3730 1 5 . 1 1 145 145 THR CA C 146 59.117 59.117 60.572 -1.455 17842 3731 1 5 . 1 1 145 145 THR CB C 146 70.345 70.345 69.846 0.499 17842 3732 1 5 . 1 1 146 146 ASN N N 147 120.236 120.236 125.067 -4.831 17842 3733 1 5 . 1 1 146 146 ASN C C 147 175.341 175.341 174.173 1.168 17842 3734 1 5 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.615 -1.735 17842 3735 1 5 . 1 1 146 146 ASN CB C 147 38.462 38.462 41.599 -3.138 17842 3736 1 5 . 1 1 146 146 ASN H H 147 8.259 8.259 8.776 -0.517 17842 3737 1 5 . 1 1 147 147 ALA N N 148 124.724 124.724 125.627 -0.903 17842 3738 1 5 . 1 1 147 147 ALA C C 148 176.378 176.378 176.677 -0.299 17842 3739 1 5 . 1 1 147 147 ALA CA C 148 52.179 52.179 51.007 1.172 17842 3740 1 5 . 1 1 147 147 ALA CB C 148 18.626 18.626 20.333 -1.707 17842 3741 1 5 . 1 1 147 147 ALA H H 148 8.256 8.256 8.517 -0.261 17842 3742 1 5 . 1 1 148 148 SER N N 149 115.670 115.670 115.540 0.130 17842 3743 1 5 . 1 1 148 148 SER C C 149 174.123 174.123 175.062 -0.939 17842 3744 1 5 . 1 1 148 148 SER CA C 149 57.281 57.281 57.417 -0.136 17842 3745 1 5 . 1 1 148 148 SER CB C 149 64.685 64.685 63.776 0.909 17842 3746 1 5 . 1 1 148 148 SER H H 149 8.372 8.372 8.430 -0.058 17842 3747 1 5 . 1 1 149 149 THR N N 150 115.292 115.292 114.607 0.685 17842 3748 1 5 . 1 1 149 149 THR C C 150 173.858 173.858 175.132 -1.274 17842 3749 1 5 . 1 1 149 149 THR CA C 150 61.189 61.189 62.630 -1.441 17842 3750 1 5 . 1 1 149 149 THR CB C 150 69.105 69.105 69.532 -0.427 17842 3751 1 5 . 1 1 149 149 THR H H 150 8.228 8.228 8.225 0.003 17842 3752 1 5 . 1 1 150 150 GLU N N 151 123.244 123.244 122.852 0.392 17842 3753 1 5 . 1 1 150 150 GLU C C 151 176.121 176.121 176.665 -0.544 17842 3754 1 5 . 1 1 150 150 GLU CA C 151 56.002 56.002 57.259 -1.257 17842 3755 1 5 . 1 1 150 150 GLU CB C 151 29.931 29.931 30.800 -0.869 17842 3756 1 5 . 1 1 150 150 GLU H H 151 8.186 8.186 8.918 -0.732 17842 3757 1 5 . 1 1 151 151 MET N N 152 121.600 121.600 117.066 4.534 17842 3758 1 5 . 1 1 151 151 MET C C 152 175.810 175.810 175.353 0.457 17842 3759 1 5 . 1 1 151 151 MET CA C 152 55.254 55.254 56.125 -0.871 17842 3760 1 5 . 1 1 151 151 MET CB C 152 33.247 33.247 34.381 -1.134 17842 3761 1 5 . 1 1 151 151 MET H H 152 8.248 8.248 7.921 0.327 17842 3762 1 5 . 1 1 152 152 THR N N 153 117.486 117.486 115.307 2.179 17842 3763 1 5 . 1 1 152 152 THR C C 153 172.907 172.907 172.513 0.394 17842 3764 1 5 . 1 1 152 152 THR CA C 153 59.365 59.365 59.434 -0.068 17842 3765 1 5 . 1 1 152 152 THR CB C 153 69.366 69.366 69.943 -0.577 17842 3766 1 5 . 1 1 152 152 THR H H 153 8.113 8.113 7.690 0.423 17842 3767 1 5 . 1 1 155 155 GLY C C 156 174.620 174.620 174.514 0.106 17842 3768 1 5 . 1 1 155 155 GLY CA C 156 45.280 45.280 45.240 0.040 17842 3769 1 5 . 1 1 156 156 GLY N N 157 109.059 109.059 111.827 -2.768 17842 3770 1 5 . 1 1 156 156 GLY C C 157 173.801 173.801 173.237 0.564 17842 3771 1 5 . 1 1 156 156 GLY CA C 157 44.929 44.929 45.289 -0.360 17842 3772 1 5 . 1 1 156 156 GLY H H 157 8.175 8.175 8.012 0.163 17842 3773 1 5 . 1 1 157 157 ASN N N 158 118.630 118.630 120.440 -1.810 17842 3774 1 5 . 1 1 157 157 ASN C C 158 175.025 175.025 174.695 0.330 17842 3775 1 5 . 1 1 157 157 ASN CA C 158 52.791 52.791 53.134 -0.343 17842 3776 1 5 . 1 1 157 157 ASN CB C 158 38.532 38.532 40.506 -1.974 17842 3777 1 5 . 1 1 157 157 ASN H H 158 8.114 8.114 8.533 -0.419 17842 3778 1 5 . 1 1 158 158 LYS N N 159 121.755 121.755 122.357 -0.602 17842 3779 1 5 . 1 1 158 158 LYS C C 159 176.361 176.361 176.119 0.242 17842 3780 1 5 . 1 1 158 158 LYS CA C 159 56.472 56.472 55.776 0.695 17842 3781 1 5 . 1 1 158 158 LYS CB C 159 32.403 32.403 33.552 -1.149 17842 3782 1 5 . 1 1 158 158 LYS H H 159 8.169 8.169 8.417 -0.248 17842 3783 1 5 . 1 1 159 159 LEU N N 160 123.084 123.084 122.261 0.823 17842 3784 1 5 . 1 1 159 159 LEU C C 160 177.408 177.408 177.522 -0.114 17842 3785 1 5 . 1 1 159 159 LEU CA C 160 55.162 55.162 55.412 -0.250 17842 3786 1 5 . 1 1 159 159 LEU CB C 160 42.690 42.690 41.060 1.630 17842 3787 1 5 . 1 1 159 159 LEU H H 160 8.173 8.173 8.558 -0.385 17842 3788 1 5 . 1 1 160 160 GLY N N 161 109.180 109.180 111.551 -2.371 17842 3789 1 5 . 1 1 160 160 GLY C C 161 173.574 173.574 173.702 -0.128 17842 3790 1 5 . 1 1 160 160 GLY CA C 161 44.877 44.877 45.151 -0.274 17842 3791 1 5 . 1 1 160 160 GLY H H 161 8.117 8.117 8.735 -0.618 17842 3792 1 5 . 1 1 161 161 SER N N 162 115.719 115.719 115.191 0.528 17842 3793 1 5 . 1 1 161 161 SER C C 162 173.715 173.715 174.005 -0.290 17842 3794 1 5 . 1 1 161 161 SER CA C 162 57.965 57.965 57.651 0.314 17842 3795 1 5 . 1 1 161 161 SER CB C 162 63.856 63.856 64.807 -0.951 17842 3796 1 5 . 1 1 161 161 SER H H 162 8.064 8.064 7.647 0.417 17842 3797 1 5 . 1 1 162 162 LEU N N 163 123.433 123.433 122.254 1.179 17842 3798 1 5 . 1 1 162 162 LEU C C 163 175.609 175.609 175.999 -0.390 17842 3799 1 5 . 1 1 162 162 LEU CA C 163 54.385 54.385 54.455 -0.070 17842 3800 1 5 . 1 1 162 162 LEU CB C 163 43.046 43.046 41.851 1.195 17842 3801 1 5 . 1 1 162 162 LEU H H 163 8.282 8.282 8.377 -0.095 17842 3802 1 5 . 1 1 163 163 ASP N N 164 122.223 122.223 120.567 1.656 17842 3803 1 5 . 1 1 163 163 ASP C C 164 175.122 175.122 175.219 -0.097 17842 3804 1 5 . 1 1 163 163 ASP CA C 164 53.400 53.400 53.493 -0.093 17842 3805 1 5 . 1 1 163 163 ASP CB C 164 41.200 41.200 42.683 -1.483 17842 3806 1 5 . 1 1 163 163 ASP H H 164 8.356 8.356 7.576 0.780 17842 3807 1 5 . 1 1 166 166 SER C C 167 172.472 172.472 172.946 -0.474 17842 3808 1 5 . 1 1 166 166 SER CA C 167 56.760 56.760 57.676 -0.916 17842 3809 1 5 . 1 1 167 167 SER N N 168 115.939 115.939 117.954 -2.015 17842 3810 1 5 . 1 1 167 167 SER C C 168 173.318 173.318 173.629 -0.311 17842 3811 1 5 . 1 1 167 167 SER CA C 168 56.763 56.763 57.782 -1.019 17842 3812 1 5 . 1 1 167 167 SER CB C 168 65.286 65.286 64.591 0.695 17842 3813 1 5 . 1 1 167 167 SER H H 168 8.678 8.678 8.751 -0.073 17842 3814 1 5 . 1 1 168 168 SER C C 169 172.500 172.500 173.027 -0.527 17842 3815 1 5 . 1 1 168 168 SER CA C 169 56.569 56.569 57.787 -1.218 17842 3816 1 5 . 1 1 168 168 SER CB C 169 65.738 65.738 64.570 1.168 17842 3817 1 5 . 1 1 169 169 GLN N N 170 122.951 122.951 121.417 1.534 17842 3818 1 5 . 1 1 169 169 GLN C C 170 174.697 174.697 174.052 0.645 17842 3819 1 5 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.910 -0.872 17842 3820 1 5 . 1 1 169 169 GLN CB C 170 32.383 32.383 32.571 -0.188 17842 3821 1 5 . 1 1 169 169 GLN H H 170 8.745 8.745 8.162 0.583 17842 3822 1 5 . 1 1 170 170 PHE N N 171 125.628 125.628 121.051 4.577 17842 3823 1 5 . 1 1 170 170 PHE C C 171 174.628 174.628 173.968 0.660 17842 3824 1 5 . 1 1 170 170 PHE CA C 171 56.200 56.200 56.542 -0.342 17842 3825 1 5 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.055 -0.503 17842 3826 1 5 . 1 1 170 170 PHE H H 171 7.771 7.771 8.704 -0.933 17842 3827 1 5 . 1 1 171 171 TYR N N 172 121.558 121.558 121.790 -0.232 17842 3828 1 5 . 1 1 171 171 TYR C C 172 171.727 171.727 173.577 -1.850 17842 3829 1 5 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.516 -1.470 17842 3830 1 5 . 1 1 171 171 TYR CB C 172 42.439 42.439 41.989 0.450 17842 3831 1 5 . 1 1 171 171 TYR H H 172 8.696 8.696 8.795 -0.099 17842 3832 1 5 . 1 1 172 172 LEU N N 173 119.230 119.230 127.530 -8.300 17842 3833 1 5 . 1 1 172 172 LEU C C 173 176.352 176.352 174.882 1.470 17842 3834 1 5 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.892 -2.149 17842 3835 1 5 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.379 0.158 17842 3836 1 5 . 1 1 172 172 LEU H H 173 8.971 8.971 8.143 0.828 17842 3837 1 5 . 1 1 173 173 GLY N N 174 107.248 107.248 111.315 -4.067 17842 3838 1 5 . 1 1 173 173 GLY C C 174 170.680 170.680 171.975 -1.295 17842 3839 1 5 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.271 -1.351 17842 3840 1 5 . 1 1 173 173 GLY H H 174 9.085 9.085 9.178 -0.093 17842 3841 1 5 . 1 1 174 174 ALA N N 175 121.461 121.461 120.964 0.497 17842 3842 1 5 . 1 1 174 174 ALA C C 175 174.546 174.546 175.546 -1.000 17842 3843 1 5 . 1 1 174 174 ALA CA C 175 50.312 50.312 49.930 0.382 17842 3844 1 5 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.496 -0.853 17842 3845 1 5 . 1 1 174 174 ALA H H 175 8.575 8.575 8.037 0.538 17842 3846 1 5 . 1 1 175 175 ASN N N 176 117.370 117.370 116.399 0.971 17842 3847 1 5 . 1 1 175 175 ASN C C 176 173.370 173.370 173.228 0.142 17842 3848 1 5 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.943 -2.344 17842 3849 1 5 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.070 -0.113 17842 3850 1 5 . 1 1 175 175 ASN H H 176 8.762 8.762 8.459 0.303 17842 3851 1 5 . 1 1 176 176 TYR N N 177 122.724 122.724 123.817 -1.093 17842 3852 1 5 . 1 1 176 176 TYR C C 177 173.924 173.924 174.838 -0.914 17842 3853 1 5 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.596 -0.158 17842 3854 1 5 . 1 1 176 176 TYR CB C 177 42.401 42.401 41.131 1.270 17842 3855 1 5 . 1 1 176 176 TYR H H 177 9.570 9.570 9.583 -0.013 17842 3856 1 5 . 1 1 177 177 LYS N N 178 127.067 127.067 122.717 4.350 17842 3857 1 5 . 1 1 177 177 LYS C C 178 174.336 174.336 174.951 -0.615 17842 3858 1 5 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.400 -1.157 17842 3859 1 5 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.079 0.872 17842 3860 1 5 . 1 1 177 177 LYS H H 178 8.284 8.284 8.051 0.233 17842 3861 1 6 . 1 1 2 2 ASP N N 3 119.767 119.767 120.504 -0.737 17842 3862 1 6 . 1 1 2 2 ASP C C 3 175.809 175.809 174.459 1.350 17842 3863 1 6 . 1 1 2 2 ASP CA C 3 53.303 53.303 53.864 -0.561 17842 3864 1 6 . 1 1 2 2 ASP CB C 3 42.915 42.915 43.804 -0.889 17842 3865 1 6 . 1 1 2 2 ASP H H 3 8.443 8.443 8.242 0.201 17842 3866 1 6 . 1 1 3 3 ASN N N 4 123.667 123.667 118.708 4.959 17842 3867 1 6 . 1 1 3 3 ASN C C 4 174.736 174.736 174.028 0.708 17842 3868 1 6 . 1 1 3 3 ASN CA C 4 52.911 52.911 52.823 0.088 17842 3869 1 6 . 1 1 3 3 ASN CB C 4 39.160 39.160 40.312 -1.152 17842 3870 1 6 . 1 1 3 3 ASN H H 4 8.923 8.923 8.638 0.285 17842 3871 1 6 . 1 1 4 4 PHE N N 5 118.447 118.447 124.338 -5.891 17842 3872 1 6 . 1 1 4 4 PHE C C 5 172.331 172.331 174.375 -2.044 17842 3873 1 6 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.173 -1.121 17842 3874 1 6 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.844 -0.981 17842 3875 1 6 . 1 1 4 4 PHE H H 5 8.910 8.910 8.127 0.783 17842 3876 1 6 . 1 1 5 5 VAL N N 6 116.195 116.195 116.984 -0.789 17842 3877 1 6 . 1 1 5 5 VAL C C 6 174.144 174.144 174.369 -0.225 17842 3878 1 6 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.802 -2.273 17842 3879 1 6 . 1 1 5 5 VAL CB C 6 35.818 35.818 34.769 1.049 17842 3880 1 6 . 1 1 5 5 VAL H H 6 8.903 8.903 9.044 -0.141 17842 3881 1 6 . 1 1 6 6 GLY N N 7 110.150 110.150 113.000 -2.850 17842 3882 1 6 . 1 1 6 6 GLY C C 7 170.825 170.825 171.824 -0.999 17842 3883 1 6 . 1 1 6 6 GLY CA C 7 46.218 46.218 44.965 1.253 17842 3884 1 6 . 1 1 6 6 GLY H H 7 8.670 8.670 8.897 -0.227 17842 3885 1 6 . 1 1 7 7 LEU N N 8 120.059 120.059 119.853 0.206 17842 3886 1 6 . 1 1 7 7 LEU C C 8 175.596 175.596 175.906 -0.310 17842 3887 1 6 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.014 -1.081 17842 3888 1 6 . 1 1 7 7 LEU CB C 8 47.663 47.663 47.078 0.584 17842 3889 1 6 . 1 1 7 7 LEU H H 8 8.562 8.562 7.997 0.565 17842 3890 1 6 . 1 1 8 8 THR N N 9 112.180 112.180 113.449 -1.269 17842 3891 1 6 . 1 1 8 8 THR C C 9 172.942 172.942 172.465 0.477 17842 3892 1 6 . 1 1 8 8 THR CA C 9 59.539 59.539 61.729 -2.190 17842 3893 1 6 . 1 1 8 8 THR CB C 9 70.735 70.735 70.364 0.371 17842 3894 1 6 . 1 1 8 8 THR H H 9 9.114 9.114 8.279 0.835 17842 3895 1 6 . 1 1 9 9 TRP N N 10 121.476 121.476 128.946 -7.470 17842 3896 1 6 . 1 1 9 9 TRP C C 10 174.622 174.622 174.366 0.256 17842 3897 1 6 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.095 1.323 17842 3898 1 6 . 1 1 9 9 TRP CB C 10 31.877 31.877 31.679 0.198 17842 3899 1 6 . 1 1 9 9 TRP H H 10 9.022 9.022 8.835 0.187 17842 3900 1 6 . 1 1 10 10 GLY N N 11 112.750 112.750 113.521 -0.771 17842 3901 1 6 . 1 1 10 10 GLY C C 11 171.655 171.655 171.304 0.351 17842 3902 1 6 . 1 1 10 10 GLY CA C 11 44.940 44.940 42.647 2.293 17842 3903 1 6 . 1 1 10 10 GLY H H 11 7.798 7.798 8.501 -0.703 17842 3904 1 6 . 1 1 11 11 GLU N N 12 117.292 117.292 119.016 -1.724 17842 3905 1 6 . 1 1 11 11 GLU C C 12 175.810 175.810 175.648 0.162 17842 3906 1 6 . 1 1 11 11 GLU CA C 12 53.743 53.743 54.695 -0.952 17842 3907 1 6 . 1 1 11 11 GLU CB C 12 31.361 31.361 31.906 -0.545 17842 3908 1 6 . 1 1 11 11 GLU H H 12 8.223 8.223 8.325 -0.102 17842 3909 1 6 . 1 1 12 12 THR N N 13 123.477 123.477 120.436 3.041 17842 3910 1 6 . 1 1 12 12 THR C C 13 174.233 174.233 174.115 0.118 17842 3911 1 6 . 1 1 12 12 THR CA C 13 61.872 61.872 61.860 0.012 17842 3912 1 6 . 1 1 12 12 THR CB C 13 69.374 69.374 69.003 0.371 17842 3913 1 6 . 1 1 12 12 THR H H 13 8.722 8.722 8.393 0.329 17842 3914 1 6 . 1 1 13 13 SER N N 14 122.220 122.220 122.142 0.078 17842 3915 1 6 . 1 1 13 13 SER C C 14 173.577 173.577 172.962 0.615 17842 3916 1 6 . 1 1 13 13 SER CA C 14 56.934 56.934 58.069 -1.135 17842 3917 1 6 . 1 1 13 13 SER CB C 14 64.249 64.249 64.087 0.162 17842 3918 1 6 . 1 1 13 13 SER H H 14 9.225 9.225 8.512 0.713 17842 3919 1 6 . 1 1 14 14 ASN N N 15 125.159 125.159 124.894 0.265 17842 3920 1 6 . 1 1 14 14 ASN C C 15 174.673 174.673 174.827 -0.154 17842 3921 1 6 . 1 1 14 14 ASN CA C 15 51.888 51.888 52.614 -0.726 17842 3922 1 6 . 1 1 14 14 ASN CB C 15 39.777 39.777 38.672 1.105 17842 3923 1 6 . 1 1 14 14 ASN H H 15 8.745 8.745 8.454 0.291 17842 3924 1 6 . 1 1 15 15 ASN N N 16 120.330 120.330 122.798 -2.468 17842 3925 1 6 . 1 1 15 15 ASN C C 16 175.886 175.886 175.012 0.874 17842 3926 1 6 . 1 1 15 15 ASN CA C 16 52.780 52.780 52.959 -0.179 17842 3927 1 6 . 1 1 15 15 ASN CB C 16 38.595 38.595 39.026 -0.431 17842 3928 1 6 . 1 1 15 15 ASN H H 16 8.494 8.494 8.530 -0.036 17842 3929 1 6 . 1 1 20 20 LYS C C 21 176.705 176.705 176.130 0.575 17842 3930 1 6 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.086 0.597 17842 3931 1 6 . 1 1 21 21 SER N N 22 115.966 115.966 116.957 -0.991 17842 3932 1 6 . 1 1 21 21 SER C C 22 174.564 174.564 174.002 0.562 17842 3933 1 6 . 1 1 21 21 SER CA C 22 58.149 58.149 59.303 -1.154 17842 3934 1 6 . 1 1 21 21 SER CB C 22 63.308 63.308 63.102 0.206 17842 3935 1 6 . 1 1 21 21 SER H H 22 8.053 8.053 9.010 -0.957 17842 3936 1 6 . 1 1 22 22 LEU N N 23 123.751 123.751 120.291 3.460 17842 3937 1 6 . 1 1 22 22 LEU C C 23 176.968 176.968 177.012 -0.044 17842 3938 1 6 . 1 1 22 22 LEU CA C 23 55.269 55.269 56.279 -1.010 17842 3939 1 6 . 1 1 22 22 LEU CB C 23 42.334 42.334 42.343 -0.009 17842 3940 1 6 . 1 1 22 22 LEU H H 23 8.006 8.006 8.177 -0.171 17842 3941 1 6 . 1 1 23 23 ASN N N 24 118.937 118.937 116.609 2.328 17842 3942 1 6 . 1 1 23 23 ASN C C 24 175.119 175.119 173.953 1.166 17842 3943 1 6 . 1 1 23 23 ASN CA C 24 52.993 52.993 52.253 0.740 17842 3944 1 6 . 1 1 23 23 ASN CB C 24 38.255 38.255 39.416 -1.161 17842 3945 1 6 . 1 1 23 23 ASN H H 24 8.136 8.136 7.708 0.428 17842 3946 1 6 . 1 1 24 24 ARG N N 25 121.500 121.500 119.707 1.793 17842 3947 1 6 . 1 1 24 24 ARG C C 25 175.849 175.849 175.095 0.754 17842 3948 1 6 . 1 1 24 24 ARG CA C 25 56.368 56.368 56.550 -0.182 17842 3949 1 6 . 1 1 24 24 ARG CB C 25 30.366 30.366 32.253 -1.887 17842 3950 1 6 . 1 1 24 24 ARG H H 25 8.097 8.097 8.512 -0.415 17842 3951 1 6 . 1 1 25 25 ASN N N 26 119.196 119.196 119.540 -0.344 17842 3952 1 6 . 1 1 25 25 ASN C C 26 175.122 175.122 174.260 0.862 17842 3953 1 6 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.454 -0.393 17842 3954 1 6 . 1 1 25 25 ASN CB C 26 38.291 38.291 38.596 -0.305 17842 3955 1 6 . 1 1 25 25 ASN H H 26 8.278 8.278 8.657 -0.379 17842 3956 1 6 . 1 1 26 26 LEU N N 27 122.352 122.352 119.953 2.399 17842 3957 1 6 . 1 1 26 26 LEU C C 27 176.903 176.903 175.690 1.213 17842 3958 1 6 . 1 1 26 26 LEU CA C 27 55.326 55.326 54.926 0.400 17842 3959 1 6 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.282 -0.096 17842 3960 1 6 . 1 1 26 26 LEU H H 27 7.992 7.992 7.624 0.368 17842 3961 1 6 . 1 1 27 27 ASN N N 28 118.444 118.444 119.108 -0.664 17842 3962 1 6 . 1 1 27 27 ASN C C 28 174.754 174.754 174.051 0.703 17842 3963 1 6 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.798 -0.838 17842 3964 1 6 . 1 1 27 27 ASN CB C 28 38.419 38.419 39.608 -1.188 17842 3965 1 6 . 1 1 27 27 ASN H H 28 8.216 8.216 8.189 0.027 17842 3966 1 6 . 1 1 28 28 SER N N 29 116.471 116.471 116.068 0.403 17842 3967 1 6 . 1 1 28 28 SER C C 29 172.778 172.778 172.094 0.684 17842 3968 1 6 . 1 1 28 28 SER CA C 29 55.982 55.982 56.864 -0.882 17842 3969 1 6 . 1 1 28 28 SER CB C 29 63.179 63.179 64.322 -1.143 17842 3970 1 6 . 1 1 28 28 SER H H 29 7.833 7.833 8.135 -0.302 17842 3971 1 6 . 1 1 29 29 PRO C C 30 176.535 176.535 176.479 0.056 17842 3972 1 6 . 1 1 29 29 PRO CA C 30 63.458 63.458 63.286 0.172 17842 3973 1 6 . 1 1 29 29 PRO CB C 30 31.672 31.672 31.684 -0.012 17842 3974 1 6 . 1 1 30 30 ASN N N 31 118.189 118.189 123.182 -4.993 17842 3975 1 6 . 1 1 30 30 ASN C C 31 175.075 175.075 176.300 -1.225 17842 3976 1 6 . 1 1 30 30 ASN CA C 31 53.051 53.051 53.849 -0.798 17842 3977 1 6 . 1 1 30 30 ASN CB C 31 38.277 38.277 39.467 -1.190 17842 3978 1 6 . 1 1 30 30 ASN H H 31 8.231 8.231 8.340 -0.109 17842 3979 1 6 . 1 1 31 31 LEU N N 32 122.838 122.838 118.948 3.890 17842 3980 1 6 . 1 1 31 31 LEU C C 32 176.800 176.800 176.211 0.589 17842 3981 1 6 . 1 1 31 31 LEU CA C 32 55.107 55.107 56.494 -1.387 17842 3982 1 6 . 1 1 31 31 LEU CB C 32 42.291 42.291 41.895 0.396 17842 3983 1 6 . 1 1 31 31 LEU H H 32 8.011 8.011 8.214 -0.203 17842 3984 1 6 . 1 1 32 32 ASP N N 33 120.740 120.740 119.360 1.380 17842 3985 1 6 . 1 1 32 32 ASP C C 33 175.863 175.863 175.402 0.461 17842 3986 1 6 . 1 1 32 32 ASP CA C 33 54.331 54.331 55.494 -1.163 17842 3987 1 6 . 1 1 32 32 ASP CB C 33 40.758 40.758 40.580 0.178 17842 3988 1 6 . 1 1 32 32 ASP H H 33 8.151 8.151 8.399 -0.248 17842 3989 1 6 . 1 1 33 33 LYS N N 34 120.746 120.746 121.570 -0.824 17842 3990 1 6 . 1 1 33 33 LYS C C 34 175.912 175.912 176.174 -0.262 17842 3991 1 6 . 1 1 33 33 LYS CA C 34 55.865 55.865 56.587 -0.722 17842 3992 1 6 . 1 1 33 33 LYS CB C 34 32.738 32.738 33.919 -1.181 17842 3993 1 6 . 1 1 33 33 LYS H H 34 7.933 7.933 8.460 -0.527 17842 3994 1 6 . 1 1 34 34 VAL N N 35 121.590 121.590 117.708 3.882 17842 3995 1 6 . 1 1 34 34 VAL C C 35 175.691 175.691 174.736 0.955 17842 3996 1 6 . 1 1 34 34 VAL CA C 35 62.186 62.186 63.110 -0.924 17842 3997 1 6 . 1 1 34 34 VAL CB C 35 32.591 32.591 32.503 0.088 17842 3998 1 6 . 1 1 34 34 VAL H H 35 7.995 7.995 7.982 0.013 17842 3999 1 6 . 1 1 35 35 ILE N N 36 124.025 124.025 115.043 8.982 17842 4000 1 6 . 1 1 35 35 ILE C C 36 175.266 175.266 174.534 0.732 17842 4001 1 6 . 1 1 35 35 ILE CA C 36 60.495 60.495 60.476 0.019 17842 4002 1 6 . 1 1 35 35 ILE CB C 36 38.489 38.489 39.059 -0.570 17842 4003 1 6 . 1 1 35 35 ILE H H 36 8.034 8.034 7.654 0.380 17842 4004 1 6 . 1 1 36 36 ASP N N 37 125.860 125.860 121.215 4.645 17842 4005 1 6 . 1 1 36 36 ASP C C 37 175.014 175.014 175.062 -0.048 17842 4006 1 6 . 1 1 36 36 ASP CA C 37 53.719 53.719 55.175 -1.456 17842 4007 1 6 . 1 1 36 36 ASP CB C 37 41.755 41.755 39.914 1.841 17842 4008 1 6 . 1 1 36 36 ASP H H 37 8.190 8.190 8.585 -0.395 17842 4009 1 6 . 1 1 37 37 ASN N N 38 120.770 120.770 115.631 5.139 17842 4010 1 6 . 1 1 37 37 ASN C C 38 174.821 174.821 174.678 0.143 17842 4011 1 6 . 1 1 37 37 ASN CA C 38 53.157 53.157 54.217 -1.060 17842 4012 1 6 . 1 1 37 37 ASN CB C 38 38.663 38.663 38.145 0.518 17842 4013 1 6 . 1 1 37 37 ASN H H 38 8.334 8.334 8.505 -0.171 17842 4014 1 6 . 1 1 38 38 THR N N 39 115.976 115.976 114.775 1.201 17842 4015 1 6 . 1 1 38 38 THR C C 39 175.226 175.226 174.370 0.856 17842 4016 1 6 . 1 1 38 38 THR CA C 39 62.215 62.215 62.398 -0.183 17842 4017 1 6 . 1 1 38 38 THR CB C 39 69.618 69.618 70.513 -0.895 17842 4018 1 6 . 1 1 38 38 THR H H 39 8.508 8.508 8.512 -0.004 17842 4019 1 6 . 1 1 39 39 GLY N N 40 115.818 115.818 109.566 6.252 17842 4020 1 6 . 1 1 39 39 GLY C C 40 172.862 172.862 172.543 0.319 17842 4021 1 6 . 1 1 39 39 GLY CA C 40 46.168 46.168 44.599 1.569 17842 4022 1 6 . 1 1 39 39 GLY H H 40 8.819 8.819 8.118 0.701 17842 4023 1 6 . 1 1 40 40 THR N N 41 119.787 119.787 116.906 2.881 17842 4024 1 6 . 1 1 40 40 THR C C 41 172.914 172.914 173.058 -0.144 17842 4025 1 6 . 1 1 40 40 THR CA C 41 61.321 61.321 62.303 -0.982 17842 4026 1 6 . 1 1 40 40 THR CB C 41 71.499 71.499 70.696 0.803 17842 4027 1 6 . 1 1 40 40 THR H H 41 8.117 8.117 7.793 0.324 17842 4028 1 6 . 1 1 41 41 TRP N N 42 128.090 128.090 129.135 -1.045 17842 4029 1 6 . 1 1 41 41 TRP C C 42 174.627 174.627 175.661 -1.034 17842 4030 1 6 . 1 1 41 41 TRP CA C 42 55.122 55.122 56.416 -1.294 17842 4031 1 6 . 1 1 41 41 TRP CB C 42 31.905 31.905 34.393 -2.488 17842 4032 1 6 . 1 1 41 41 TRP H H 42 8.178 8.178 8.860 -0.682 17842 4033 1 6 . 1 1 42 42 GLY N N 43 109.883 109.883 110.015 -0.132 17842 4034 1 6 . 1 1 42 42 GLY C C 43 172.317 172.317 172.338 -0.021 17842 4035 1 6 . 1 1 42 42 GLY CA C 43 44.176 44.176 45.523 -1.347 17842 4036 1 6 . 1 1 42 42 GLY H H 43 8.892 8.892 8.617 0.275 17842 4037 1 6 . 1 1 43 43 ILE N N 44 118.005 118.005 119.665 -1.660 17842 4038 1 6 . 1 1 43 43 ILE C C 44 173.071 173.071 174.855 -1.784 17842 4039 1 6 . 1 1 43 43 ILE CA C 44 58.606 58.606 60.488 -1.882 17842 4040 1 6 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.726 0.404 17842 4041 1 6 . 1 1 43 43 ILE H H 44 8.879 8.879 7.902 0.977 17842 4042 1 6 . 1 1 44 44 ARG N N 45 120.855 120.855 121.736 -0.881 17842 4043 1 6 . 1 1 44 44 ARG C C 45 174.942 174.942 174.858 0.084 17842 4044 1 6 . 1 1 44 44 ARG CA C 45 52.889 52.889 53.598 -0.709 17842 4045 1 6 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.408 -0.456 17842 4046 1 6 . 1 1 44 44 ARG H H 45 8.708 8.708 9.052 -0.344 17842 4047 1 6 . 1 1 45 45 ALA N N 46 119.127 119.127 127.359 -8.232 17842 4048 1 6 . 1 1 45 45 ALA C C 46 175.693 175.693 175.349 0.344 17842 4049 1 6 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.288 -1.668 17842 4050 1 6 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.573 0.209 17842 4051 1 6 . 1 1 45 45 ALA H H 46 8.419 8.419 8.450 -0.031 17842 4052 1 6 . 1 1 46 46 GLY N N 47 107.350 107.350 109.537 -2.187 17842 4053 1 6 . 1 1 46 46 GLY C C 47 171.353 171.353 172.030 -0.677 17842 4054 1 6 . 1 1 46 46 GLY CA C 47 45.630 45.630 45.299 0.331 17842 4055 1 6 . 1 1 46 46 GLY H H 47 7.819 7.819 8.528 -0.709 17842 4056 1 6 . 1 1 47 47 GLN N N 48 118.061 118.061 119.654 -1.593 17842 4057 1 6 . 1 1 47 47 GLN C C 48 173.671 173.671 174.419 -0.748 17842 4058 1 6 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.608 -0.243 17842 4059 1 6 . 1 1 47 47 GLN CB C 48 32.912 32.912 33.143 -0.231 17842 4060 1 6 . 1 1 47 47 GLN H H 48 8.483 8.483 7.979 0.504 17842 4061 1 6 . 1 1 48 48 GLN N N 49 122.691 122.691 126.184 -3.493 17842 4062 1 6 . 1 1 48 48 GLN C C 49 173.291 173.291 174.524 -1.233 17842 4063 1 6 . 1 1 48 48 GLN CA C 49 54.593 54.593 55.900 -1.306 17842 4064 1 6 . 1 1 48 48 GLN CB C 49 30.750 30.750 30.116 0.634 17842 4065 1 6 . 1 1 48 48 GLN H H 49 9.319 9.319 8.448 0.871 17842 4066 1 6 . 1 1 49 49 PHE N N 50 126.379 126.379 127.612 -1.233 17842 4067 1 6 . 1 1 49 49 PHE C C 50 175.918 175.918 176.212 -0.294 17842 4068 1 6 . 1 1 49 49 PHE CA C 50 55.013 55.013 57.096 -2.083 17842 4069 1 6 . 1 1 49 49 PHE CB C 50 39.974 39.974 41.755 -1.781 17842 4070 1 6 . 1 1 49 49 PHE H H 50 8.781 8.781 9.585 -0.804 17842 4071 1 6 . 1 1 50 50 GLU N N 51 121.087 121.087 122.425 -1.338 17842 4072 1 6 . 1 1 50 50 GLU C C 51 178.452 178.452 176.492 1.960 17842 4073 1 6 . 1 1 50 50 GLU CA C 51 60.435 60.435 59.034 1.401 17842 4074 1 6 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.752 -1.066 17842 4075 1 6 . 1 1 50 50 GLU H H 51 8.975 8.975 9.111 -0.136 17842 4076 1 6 . 1 1 51 51 GLN N N 52 111.198 111.198 116.712 -5.514 17842 4077 1 6 . 1 1 51 51 GLN C C 52 176.031 176.031 174.663 1.368 17842 4078 1 6 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.072 0.764 17842 4079 1 6 . 1 1 51 51 GLN CB C 52 28.617 28.617 29.646 -1.030 17842 4080 1 6 . 1 1 51 51 GLN H H 52 7.955 7.955 8.383 -0.428 17842 4081 1 6 . 1 1 52 52 GLY N N 53 110.800 110.800 105.721 5.079 17842 4082 1 6 . 1 1 52 52 GLY C C 53 169.076 169.076 171.800 -2.724 17842 4083 1 6 . 1 1 52 52 GLY CA C 53 45.303 45.303 45.793 -0.490 17842 4084 1 6 . 1 1 52 52 GLY H H 53 6.696 6.696 7.688 -0.992 17842 4085 1 6 . 1 1 53 53 ARG N N 54 111.857 111.857 120.418 -8.561 17842 4086 1 6 . 1 1 53 53 ARG C C 54 172.397 172.397 173.967 -1.570 17842 4087 1 6 . 1 1 53 53 ARG CA C 54 54.227 54.227 54.542 -0.315 17842 4088 1 6 . 1 1 53 53 ARG CB C 54 31.755 31.755 34.733 -2.978 17842 4089 1 6 . 1 1 53 53 ARG H H 54 8.216 8.216 8.658 -0.442 17842 4090 1 6 . 1 1 54 54 TYR N N 55 116.379 116.379 123.539 -7.160 17842 4091 1 6 . 1 1 54 54 TYR C C 55 175.461 175.461 175.211 0.250 17842 4092 1 6 . 1 1 54 54 TYR CA C 55 55.296 55.296 57.577 -2.281 17842 4093 1 6 . 1 1 54 54 TYR CB C 55 41.539 41.539 42.072 -0.532 17842 4094 1 6 . 1 1 54 54 TYR H H 55 8.477 8.477 9.203 -0.726 17842 4095 1 6 . 1 1 55 55 TYR N N 56 114.651 114.651 123.267 -8.616 17842 4096 1 6 . 1 1 55 55 TYR C C 56 173.431 173.431 173.812 -0.381 17842 4097 1 6 . 1 1 55 55 TYR CA C 56 55.886 55.886 56.990 -1.104 17842 4098 1 6 . 1 1 55 55 TYR CB C 56 37.595 37.595 39.933 -2.338 17842 4099 1 6 . 1 1 55 55 TYR H H 56 8.221 8.221 8.859 -0.638 17842 4100 1 6 . 1 1 56 56 ALA N N 57 125.460 125.460 128.198 -2.738 17842 4101 1 6 . 1 1 56 56 ALA C C 57 175.737 175.737 176.728 -0.991 17842 4102 1 6 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.503 -1.355 17842 4103 1 6 . 1 1 56 56 ALA CB C 57 20.777 20.777 21.286 -0.509 17842 4104 1 6 . 1 1 56 56 ALA H H 57 9.034 9.034 8.464 0.570 17842 4105 1 6 . 1 1 57 57 THR N N 58 116.923 116.923 116.234 0.689 17842 4106 1 6 . 1 1 57 57 THR C C 58 173.462 173.462 173.373 0.089 17842 4107 1 6 . 1 1 57 57 THR CA C 58 61.458 61.458 60.298 1.160 17842 4108 1 6 . 1 1 57 57 THR CB C 58 71.683 71.683 71.065 0.618 17842 4109 1 6 . 1 1 57 57 THR H H 58 8.907 8.907 8.412 0.495 17842 4110 1 6 . 1 1 58 58 TYR N N 59 126.784 126.784 127.625 -0.841 17842 4111 1 6 . 1 1 58 58 TYR C C 59 173.954 173.954 174.334 -0.380 17842 4112 1 6 . 1 1 58 58 TYR CA C 59 55.682 55.682 57.158 -1.476 17842 4113 1 6 . 1 1 58 58 TYR CB C 59 41.320 41.320 39.886 1.433 17842 4114 1 6 . 1 1 58 58 TYR H H 59 8.974 8.974 8.399 0.575 17842 4115 1 6 . 1 1 59 59 GLU N N 60 124.211 124.211 127.053 -2.842 17842 4116 1 6 . 1 1 59 59 GLU C C 60 173.989 173.989 174.918 -0.929 17842 4117 1 6 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.441 -1.518 17842 4118 1 6 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.531 0.211 17842 4119 1 6 . 1 1 59 59 GLU H H 60 8.049 8.049 8.552 -0.503 17842 4120 1 6 . 1 1 60 60 ASN N N 61 118.358 118.358 119.772 -1.414 17842 4121 1 6 . 1 1 60 60 ASN C C 61 173.609 173.609 174.305 -0.696 17842 4122 1 6 . 1 1 60 60 ASN CA C 61 52.281 52.281 52.132 0.149 17842 4123 1 6 . 1 1 60 60 ASN H H 61 8.155 8.155 8.150 0.005 17842 4124 1 6 . 1 1 61 61 ILE C C 62 174.902 174.902 175.873 -0.971 17842 4125 1 6 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.865 0.115 17842 4126 1 6 . 1 1 61 61 ILE CB C 62 40.772 40.772 38.047 2.724 17842 4127 1 6 . 1 1 62 62 SER N N 63 121.368 121.368 122.119 -0.751 17842 4128 1 6 . 1 1 62 62 SER C C 63 173.027 173.027 174.279 -1.252 17842 4129 1 6 . 1 1 62 62 SER CA C 63 57.295 57.295 61.423 -4.128 17842 4130 1 6 . 1 1 62 62 SER CB C 63 64.306 64.306 62.703 1.603 17842 4131 1 6 . 1 1 62 62 SER H H 63 8.339 8.339 9.212 -0.873 17842 4132 1 6 . 1 1 63 63 ASP N N 64 124.300 124.300 118.156 6.144 17842 4133 1 6 . 1 1 63 63 ASP C C 64 176.570 176.570 175.135 1.435 17842 4134 1 6 . 1 1 63 63 ASP CA C 64 53.291 53.291 53.922 -0.631 17842 4135 1 6 . 1 1 63 63 ASP CB C 64 42.484 42.484 41.305 1.179 17842 4136 1 6 . 1 1 63 63 ASP H H 64 8.596 8.596 8.177 0.419 17842 4137 1 6 . 1 1 64 64 THR N N 65 116.756 116.756 113.486 3.270 17842 4138 1 6 . 1 1 64 64 THR C C 65 175.975 175.975 175.357 0.618 17842 4139 1 6 . 1 1 64 64 THR CA C 65 61.608 61.608 61.594 0.014 17842 4140 1 6 . 1 1 64 64 THR CB C 65 68.856 68.856 68.571 0.285 17842 4141 1 6 . 1 1 64 64 THR H H 65 8.581 8.581 8.269 0.312 17842 4142 1 6 . 1 1 65 65 SER N N 66 119.276 119.276 116.703 2.573 17842 4143 1 6 . 1 1 65 65 SER CA C 66 59.728 59.728 59.299 0.429 17842 4144 1 6 . 1 1 65 65 SER CB C 66 63.514 63.514 63.322 0.192 17842 4145 1 6 . 1 1 65 65 SER H H 66 8.492 8.492 8.236 0.256 17842 4146 1 6 . 1 1 66 66 SER C C 67 175.122 175.122 174.805 0.317 17842 4147 1 6 . 1 1 66 66 SER CA C 67 58.554 58.554 57.504 1.050 17842 4148 1 6 . 1 1 67 67 GLY N N 68 110.266 110.266 109.974 0.292 17842 4149 1 6 . 1 1 67 67 GLY C C 68 173.832 173.832 173.178 0.654 17842 4150 1 6 . 1 1 67 67 GLY CA C 68 45.207 45.207 45.288 -0.081 17842 4151 1 6 . 1 1 67 67 GLY H H 68 8.184 8.184 7.964 0.220 17842 4152 1 6 . 1 1 68 68 ASN N N 69 118.584 118.584 121.328 -2.744 17842 4153 1 6 . 1 1 68 68 ASN C C 69 174.239 174.239 174.878 -0.639 17842 4154 1 6 . 1 1 68 68 ASN CA C 69 52.730 52.730 53.121 -0.391 17842 4155 1 6 . 1 1 68 68 ASN CB C 69 38.938 38.938 38.447 0.491 17842 4156 1 6 . 1 1 68 68 ASN H H 69 7.972 7.972 8.454 -0.482 17842 4157 1 6 . 1 1 72 72 GLN C C 73 173.610 173.610 174.439 -0.829 17842 4158 1 6 . 1 1 72 72 GLN CA C 73 53.449 53.449 54.594 -1.145 17842 4159 1 6 . 1 1 73 73 GLN N N 74 123.659 123.659 120.363 3.296 17842 4160 1 6 . 1 1 73 73 GLN C C 74 173.276 173.276 174.036 -0.760 17842 4161 1 6 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.991 -1.447 17842 4162 1 6 . 1 1 73 73 GLN CB C 74 34.344 34.344 32.790 1.554 17842 4163 1 6 . 1 1 73 73 GLN H H 74 8.697 8.697 8.275 0.422 17842 4164 1 6 . 1 1 74 74 ASN N N 75 118.720 118.720 122.577 -3.857 17842 4165 1 6 . 1 1 74 74 ASN C C 75 173.733 173.733 173.715 0.018 17842 4166 1 6 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.146 -1.877 17842 4167 1 6 . 1 1 74 74 ASN CB C 75 40.070 40.070 40.277 -0.207 17842 4168 1 6 . 1 1 74 74 ASN H H 75 8.295 8.295 8.420 -0.125 17842 4169 1 6 . 1 1 75 75 LEU N N 76 124.353 124.353 121.349 3.004 17842 4170 1 6 . 1 1 75 75 LEU C C 76 174.267 174.267 175.194 -0.927 17842 4171 1 6 . 1 1 75 75 LEU CA C 76 53.916 53.916 53.820 0.096 17842 4172 1 6 . 1 1 75 75 LEU CB C 76 44.633 44.633 43.152 1.481 17842 4173 1 6 . 1 1 75 75 LEU H H 76 8.847 8.847 7.857 0.990 17842 4174 1 6 . 1 1 76 76 LEU N N 77 124.437 124.437 120.712 3.725 17842 4175 1 6 . 1 1 76 76 LEU C C 77 175.188 175.188 175.479 -0.291 17842 4176 1 6 . 1 1 76 76 LEU CA C 77 52.934 52.934 53.698 -0.764 17842 4177 1 6 . 1 1 76 76 LEU CB C 77 45.115 45.115 45.240 -0.125 17842 4178 1 6 . 1 1 76 76 LEU H H 77 9.222 9.222 8.152 1.070 17842 4179 1 6 . 1 1 77 77 GLY N N 78 107.288 107.288 108.786 -1.498 17842 4180 1 6 . 1 1 77 77 GLY C C 78 171.733 171.733 173.616 -1.883 17842 4181 1 6 . 1 1 77 77 GLY CA C 78 44.160 44.160 44.241 -0.081 17842 4182 1 6 . 1 1 77 77 GLY H H 78 9.132 9.132 9.184 -0.052 17842 4183 1 6 . 1 1 78 78 SER N N 79 117.437 117.437 122.197 -4.760 17842 4184 1 6 . 1 1 78 78 SER C C 79 171.279 171.279 173.235 -1.956 17842 4185 1 6 . 1 1 78 78 SER CA C 79 57.272 57.272 57.322 -0.050 17842 4186 1 6 . 1 1 78 78 SER CB C 79 65.596 65.596 65.122 0.474 17842 4187 1 6 . 1 1 78 78 SER H H 79 8.210 8.210 8.642 -0.432 17842 4188 1 6 . 1 1 79 79 TYR N N 80 122.901 122.901 127.937 -5.036 17842 4189 1 6 . 1 1 79 79 TYR C C 80 173.757 173.757 173.596 0.161 17842 4190 1 6 . 1 1 79 79 TYR CA C 80 56.243 56.243 56.801 -0.558 17842 4191 1 6 . 1 1 79 79 TYR CB C 80 42.570 42.570 39.064 3.506 17842 4192 1 6 . 1 1 79 79 TYR H H 80 8.092 8.092 8.062 0.030 17842 4193 1 6 . 1 1 80 80 ASP N N 81 122.808 122.808 128.205 -5.397 17842 4194 1 6 . 1 1 80 80 ASP C C 81 173.607 173.607 173.817 -0.210 17842 4195 1 6 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.824 -0.159 17842 4196 1 6 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.761 0.026 17842 4197 1 6 . 1 1 80 80 ASP H H 81 8.268 8.268 8.877 -0.609 17842 4198 1 6 . 1 1 81 81 ALA N N 82 121.201 121.201 122.377 -1.176 17842 4199 1 6 . 1 1 81 81 ALA C C 82 177.094 177.094 176.246 0.848 17842 4200 1 6 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.623 -0.878 17842 4201 1 6 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.212 1.299 17842 4202 1 6 . 1 1 81 81 ALA H H 82 8.931 8.931 8.554 0.377 17842 4203 1 6 . 1 1 82 82 PHE N N 83 116.305 116.305 121.995 -5.690 17842 4204 1 6 . 1 1 82 82 PHE C C 83 176.299 176.299 174.252 2.047 17842 4205 1 6 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.549 -2.885 17842 4206 1 6 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.291 0.830 17842 4207 1 6 . 1 1 82 82 PHE H H 83 7.404 7.404 8.448 -1.044 17842 4208 1 6 . 1 1 83 83 LEU N N 84 122.208 122.208 121.670 0.538 17842 4209 1 6 . 1 1 83 83 LEU C C 84 173.599 173.599 174.573 -0.974 17842 4210 1 6 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.720 -0.846 17842 4211 1 6 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.445 -1.079 17842 4212 1 6 . 1 1 83 83 LEU H H 84 9.049 9.049 7.852 1.197 17842 4213 1 6 . 1 1 84 84 PRO C C 85 175.877 175.877 176.260 -0.383 17842 4214 1 6 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.700 -0.659 17842 4215 1 6 . 1 1 84 84 PRO CB C 85 31.486 31.486 30.949 0.537 17842 4216 1 6 . 1 1 85 85 ILE N N 86 119.588 119.588 125.106 -5.518 17842 4217 1 6 . 1 1 85 85 ILE C C 86 175.749 175.749 175.313 0.436 17842 4218 1 6 . 1 1 85 85 ILE CA C 86 59.267 59.267 60.569 -1.302 17842 4219 1 6 . 1 1 85 85 ILE CB C 86 39.835 39.835 40.530 -0.695 17842 4220 1 6 . 1 1 85 85 ILE H H 86 8.205 8.205 7.817 0.388 17842 4221 1 6 . 1 1 86 86 GLY N N 87 112.396 112.396 117.861 -5.465 17842 4222 1 6 . 1 1 86 86 GLY C C 87 174.218 174.218 173.686 0.532 17842 4223 1 6 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.513 0.179 17842 4224 1 6 . 1 1 86 86 GLY H H 87 8.364 8.364 8.547 -0.183 17842 4225 1 6 . 1 1 87 87 ASP N N 88 122.109 122.109 122.038 0.071 17842 4226 1 6 . 1 1 87 87 ASP C C 88 175.839 175.839 176.952 -1.113 17842 4227 1 6 . 1 1 87 87 ASP CA C 88 53.535 53.535 55.314 -1.779 17842 4228 1 6 . 1 1 87 87 ASP CB C 88 41.132 41.132 42.796 -1.664 17842 4229 1 6 . 1 1 87 87 ASP H H 88 8.249 8.249 8.211 0.038 17842 4230 1 6 . 1 1 88 88 ASN N N 89 116.308 116.308 115.279 1.029 17842 4231 1 6 . 1 1 88 88 ASN C C 89 175.100 175.100 174.758 0.342 17842 4232 1 6 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.284 -0.362 17842 4233 1 6 . 1 1 88 88 ASN CB C 89 38.183 38.183 39.812 -1.629 17842 4234 1 6 . 1 1 88 88 ASN H H 89 8.449 8.449 8.560 -0.111 17842 4235 1 6 . 1 1 89 89 ASN N N 90 115.987 115.987 117.838 -1.851 17842 4236 1 6 . 1 1 89 89 ASN C C 90 173.909 173.909 174.303 -0.394 17842 4237 1 6 . 1 1 89 89 ASN CA C 90 54.386 54.386 52.665 1.721 17842 4238 1 6 . 1 1 89 89 ASN CB C 90 37.657 37.657 39.700 -2.043 17842 4239 1 6 . 1 1 89 89 ASN H H 90 8.477 8.477 8.624 -0.147 17842 4240 1 6 . 1 1 90 90 THR N N 91 116.991 116.991 110.685 6.306 17842 4241 1 6 . 1 1 90 90 THR C C 91 173.763 173.763 173.413 0.350 17842 4242 1 6 . 1 1 90 90 THR CA C 91 62.170 62.170 61.391 0.779 17842 4243 1 6 . 1 1 90 90 THR CB C 91 68.706 68.706 70.142 -1.436 17842 4244 1 6 . 1 1 90 90 THR H H 91 7.600 7.600 7.601 -0.001 17842 4245 1 6 . 1 1 91 91 LYS N N 92 124.349 124.349 123.021 1.328 17842 4246 1 6 . 1 1 91 91 LYS C C 92 175.815 175.815 176.264 -0.449 17842 4247 1 6 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.350 -0.944 17842 4248 1 6 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.757 0.741 17842 4249 1 6 . 1 1 91 91 LYS H H 92 9.249 9.249 8.644 0.605 17842 4250 1 6 . 1 1 92 92 LEU N N 93 123.462 123.462 128.781 -5.319 17842 4251 1 6 . 1 1 92 92 LEU C C 93 176.260 176.260 175.574 0.686 17842 4252 1 6 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.180 -1.351 17842 4253 1 6 . 1 1 92 92 LEU CB C 93 43.614 43.614 42.536 1.078 17842 4254 1 6 . 1 1 92 92 LEU H H 93 8.650 8.650 8.114 0.536 17842 4255 1 6 . 1 1 93 93 PHE N N 94 119.497 119.497 123.738 -4.241 17842 4256 1 6 . 1 1 93 93 PHE C C 94 173.154 173.154 174.466 -1.312 17842 4257 1 6 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.523 0.613 17842 4258 1 6 . 1 1 93 93 PHE CB C 94 44.093 44.093 40.925 3.168 17842 4259 1 6 . 1 1 93 93 PHE H H 94 8.485 8.485 7.665 0.820 17842 4260 1 6 . 1 1 94 94 GLY N N 95 105.945 105.945 110.160 -4.215 17842 4261 1 6 . 1 1 94 94 GLY C C 95 171.815 171.815 172.421 -0.606 17842 4262 1 6 . 1 1 94 94 GLY CA C 95 44.382 44.382 43.777 0.605 17842 4263 1 6 . 1 1 94 94 GLY H H 95 8.256 8.256 8.286 -0.030 17842 4264 1 6 . 1 1 95 95 GLY N N 96 110.432 110.432 108.884 1.548 17842 4265 1 6 . 1 1 95 95 GLY C C 96 171.826 171.826 171.978 -0.152 17842 4266 1 6 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.985 0.901 17842 4267 1 6 . 1 1 95 95 GLY H H 96 9.005 9.005 8.182 0.823 17842 4268 1 6 . 1 1 96 96 ALA N N 97 117.509 117.509 122.018 -4.509 17842 4269 1 6 . 1 1 96 96 ALA C C 97 176.928 176.928 175.621 1.307 17842 4270 1 6 . 1 1 96 96 ALA CA C 97 49.401 49.401 49.727 -0.326 17842 4271 1 6 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.135 1.290 17842 4272 1 6 . 1 1 96 96 ALA H H 97 8.039 8.039 8.064 -0.025 17842 4273 1 6 . 1 1 97 97 THR N N 98 118.891 118.891 110.312 8.579 17842 4274 1 6 . 1 1 97 97 THR C C 98 172.492 172.492 173.050 -0.558 17842 4275 1 6 . 1 1 97 97 THR CA C 98 61.730 61.730 61.259 0.471 17842 4276 1 6 . 1 1 97 97 THR CB C 98 73.046 73.046 71.778 1.268 17842 4277 1 6 . 1 1 97 97 THR H H 98 8.379 8.379 8.009 0.370 17842 4278 1 6 . 1 1 98 98 LEU N N 99 124.958 124.958 125.611 -0.653 17842 4279 1 6 . 1 1 98 98 LEU C C 99 175.753 175.753 174.450 1.303 17842 4280 1 6 . 1 1 98 98 LEU CA C 99 53.474 53.474 55.034 -1.560 17842 4281 1 6 . 1 1 98 98 LEU CB C 99 47.243 47.243 45.791 1.452 17842 4282 1 6 . 1 1 98 98 LEU H H 99 8.880 8.880 8.056 0.824 17842 4283 1 6 . 1 1 99 99 GLY N N 100 106.645 106.645 111.570 -4.925 17842 4284 1 6 . 1 1 99 99 GLY C C 100 169.886 169.886 171.975 -2.089 17842 4285 1 6 . 1 1 99 99 GLY CA C 100 46.631 46.631 45.111 1.520 17842 4286 1 6 . 1 1 99 99 GLY H H 100 8.635 8.635 7.782 0.853 17842 4287 1 6 . 1 1 100 100 LEU N N 101 121.823 121.823 115.724 6.099 17842 4288 1 6 . 1 1 100 100 LEU C C 101 174.876 174.876 174.638 0.238 17842 4289 1 6 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.802 -1.731 17842 4290 1 6 . 1 1 100 100 LEU CB C 101 46.646 46.646 45.575 1.071 17842 4291 1 6 . 1 1 100 100 LEU H H 101 9.088 9.088 8.437 0.651 17842 4292 1 6 . 1 1 101 101 VAL N N 102 118.857 118.857 123.335 -4.478 17842 4293 1 6 . 1 1 101 101 VAL C C 102 174.015 174.015 174.646 -0.631 17842 4294 1 6 . 1 1 101 101 VAL CA C 102 59.666 59.666 59.828 -0.162 17842 4295 1 6 . 1 1 101 101 VAL CB C 102 35.406 35.406 35.098 0.308 17842 4296 1 6 . 1 1 101 101 VAL H H 102 8.291 8.291 8.268 0.023 17842 4297 1 6 . 1 1 102 102 LYS N N 103 126.552 126.552 124.520 2.032 17842 4298 1 6 . 1 1 102 102 LYS C C 103 174.712 174.712 173.935 0.777 17842 4299 1 6 . 1 1 102 102 LYS CA C 103 54.433 54.433 55.644 -1.211 17842 4300 1 6 . 1 1 102 102 LYS CB C 103 35.733 35.733 34.580 1.153 17842 4301 1 6 . 1 1 102 102 LYS H H 103 9.141 9.141 7.896 1.245 17842 4302 1 6 . 1 1 103 103 LEU N N 104 129.605 129.605 120.518 9.087 17842 4303 1 6 . 1 1 103 103 LEU C C 104 175.344 175.344 174.508 0.836 17842 4304 1 6 . 1 1 103 103 LEU CA C 104 53.492 53.492 52.816 0.676 17842 4305 1 6 . 1 1 103 103 LEU CB C 104 45.004 45.004 45.493 -0.489 17842 4306 1 6 . 1 1 103 103 LEU H H 104 8.921 8.921 8.186 0.735 17842 4307 1 6 . 1 1 104 104 GLU C C 105 174.715 174.715 174.811 -0.096 17842 4308 1 6 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.389 -0.763 17842 4309 1 6 . 1 1 104 104 GLU CB C 105 33.055 33.055 32.621 0.434 17842 4310 1 6 . 1 1 105 105 GLN N N 106 121.991 121.991 123.572 -1.581 17842 4311 1 6 . 1 1 105 105 GLN C C 106 175.002 175.002 174.805 0.197 17842 4312 1 6 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.397 -0.718 17842 4313 1 6 . 1 1 105 105 GLN CB C 106 30.252 30.252 30.547 -0.295 17842 4314 1 6 . 1 1 105 105 GLN H H 106 8.532 8.532 8.529 0.003 17842 4315 1 6 . 1 1 106 106 ASP N N 107 123.884 123.884 121.895 1.989 17842 4316 1 6 . 1 1 106 106 ASP C C 107 176.352 176.352 174.877 1.475 17842 4317 1 6 . 1 1 106 106 ASP CA C 107 54.108 54.108 53.774 0.334 17842 4318 1 6 . 1 1 106 106 ASP CB C 107 41.448 41.448 41.831 -0.383 17842 4319 1 6 . 1 1 106 106 ASP H H 107 8.414 8.414 8.310 0.104 17842 4320 1 6 . 1 1 107 107 GLY N N 108 110.294 110.294 105.299 4.995 17842 4321 1 6 . 1 1 107 107 GLY C C 108 174.111 174.111 174.923 -0.812 17842 4322 1 6 . 1 1 107 107 GLY CA C 108 44.992 44.992 45.688 -0.696 17842 4323 1 6 . 1 1 107 107 GLY H H 108 8.226 8.226 8.448 -0.222 17842 4324 1 6 . 1 1 108 108 LYS N N 109 121.045 121.045 119.412 1.633 17842 4325 1 6 . 1 1 108 108 LYS C C 109 176.988 176.988 176.989 -0.001 17842 4326 1 6 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.786 -0.543 17842 4327 1 6 . 1 1 108 108 LYS CB C 109 31.957 31.957 34.337 -2.380 17842 4328 1 6 . 1 1 108 108 LYS H H 109 8.130 8.130 8.068 0.062 17842 4329 1 6 . 1 1 109 109 GLY N N 110 109.975 109.975 107.772 2.203 17842 4330 1 6 . 1 1 109 109 GLY C C 110 173.856 173.856 173.516 0.340 17842 4331 1 6 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.999 -0.030 17842 4332 1 6 . 1 1 109 109 GLY H H 110 8.313 8.313 7.826 0.487 17842 4333 1 6 . 1 1 110 110 PHE N N 111 119.873 119.873 120.518 -0.645 17842 4334 1 6 . 1 1 110 110 PHE C C 111 175.195 175.195 175.186 0.009 17842 4335 1 6 . 1 1 110 110 PHE CA C 111 57.334 57.334 57.303 0.031 17842 4336 1 6 . 1 1 110 110 PHE CB C 111 39.311 39.311 40.774 -1.463 17842 4337 1 6 . 1 1 110 110 PHE H H 111 7.848 7.848 7.823 0.025 17842 4338 1 6 . 1 1 111 111 LYS N N 112 122.900 122.900 118.368 4.532 17842 4339 1 6 . 1 1 111 111 LYS C C 112 175.898 175.898 175.005 0.893 17842 4340 1 6 . 1 1 111 111 LYS CA C 112 55.928 55.928 55.501 0.427 17842 4341 1 6 . 1 1 111 111 LYS CB C 112 32.741 32.741 34.144 -1.403 17842 4342 1 6 . 1 1 111 111 LYS H H 112 8.073 8.073 8.315 -0.242 17842 4343 1 6 . 1 1 112 112 ARG N N 113 123.302 123.302 122.556 0.746 17842 4344 1 6 . 1 1 112 112 ARG C C 113 175.762 175.762 175.478 0.284 17842 4345 1 6 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.406 -0.528 17842 4346 1 6 . 1 1 112 112 ARG CB C 113 30.678 30.678 31.088 -0.410 17842 4347 1 6 . 1 1 112 112 ARG H H 113 8.277 8.277 8.655 -0.378 17842 4348 1 6 . 1 1 113 113 ASP N N 114 122.193 122.193 122.374 -0.181 17842 4349 1 6 . 1 1 113 113 ASP C C 114 175.875 175.875 174.683 1.192 17842 4350 1 6 . 1 1 113 113 ASP CA C 114 54.219 54.219 53.894 0.325 17842 4351 1 6 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.284 -0.005 17842 4352 1 6 . 1 1 113 113 ASP H H 114 8.300 8.300 8.359 -0.059 17842 4353 1 6 . 1 1 114 114 SER N N 115 114.844 114.844 117.546 -2.702 17842 4354 1 6 . 1 1 114 114 SER C C 115 173.567 173.567 172.558 1.009 17842 4355 1 6 . 1 1 114 114 SER CA C 115 57.538 57.538 58.776 -1.238 17842 4356 1 6 . 1 1 114 114 SER CB C 115 64.306 64.306 64.702 -0.396 17842 4357 1 6 . 1 1 114 114 SER H H 115 8.071 8.071 8.512 -0.441 17842 4358 1 6 . 1 1 115 115 ASP N N 116 122.371 122.371 125.843 -3.472 17842 4359 1 6 . 1 1 115 115 ASP C C 116 175.096 175.096 174.358 0.738 17842 4360 1 6 . 1 1 115 115 ASP CA C 116 53.960 53.960 54.742 -0.782 17842 4361 1 6 . 1 1 115 115 ASP CB C 116 42.394 42.394 41.663 0.731 17842 4362 1 6 . 1 1 115 115 ASP H H 116 8.400 8.400 8.871 -0.471 17842 4363 1 6 . 1 1 116 116 VAL N N 117 120.462 120.462 115.702 4.760 17842 4364 1 6 . 1 1 116 116 VAL C C 117 175.349 175.349 174.116 1.233 17842 4365 1 6 . 1 1 116 116 VAL CA C 117 60.785 60.785 60.145 0.640 17842 4366 1 6 . 1 1 116 116 VAL CB C 117 33.507 33.507 34.083 -0.576 17842 4367 1 6 . 1 1 116 116 VAL H H 117 8.014 8.014 7.840 0.174 17842 4368 1 6 . 1 1 117 117 GLY N N 118 112.807 112.807 107.274 5.533 17842 4369 1 6 . 1 1 117 117 GLY C C 118 172.079 172.079 172.432 -0.353 17842 4370 1 6 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.742 -1.487 17842 4371 1 6 . 1 1 117 117 GLY H H 118 8.871 8.871 8.117 0.754 17842 4372 1 6 . 1 1 118 118 TYR N N 119 117.704 117.704 123.927 -6.223 17842 4373 1 6 . 1 1 118 118 TYR C C 119 175.024 175.024 173.663 1.361 17842 4374 1 6 . 1 1 118 118 TYR CA C 119 55.968 55.968 56.307 -0.339 17842 4375 1 6 . 1 1 118 118 TYR CB C 119 41.089 41.089 40.304 0.785 17842 4376 1 6 . 1 1 118 118 TYR H H 119 8.406 8.406 8.644 -0.238 17842 4377 1 6 . 1 1 119 119 ALA N N 120 122.050 122.050 129.886 -7.836 17842 4378 1 6 . 1 1 119 119 ALA C C 120 175.218 175.218 175.017 0.201 17842 4379 1 6 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.508 0.152 17842 4380 1 6 . 1 1 119 119 ALA CB C 120 23.187 23.187 21.990 1.197 17842 4381 1 6 . 1 1 119 119 ALA H H 120 8.605 8.605 7.756 0.849 17842 4382 1 6 . 1 1 120 120 ALA N N 121 119.839 119.839 124.957 -5.118 17842 4383 1 6 . 1 1 120 120 ALA C C 121 175.881 175.881 175.793 0.088 17842 4384 1 6 . 1 1 120 120 ALA CA C 121 50.340 50.340 51.478 -1.138 17842 4385 1 6 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.960 0.504 17842 4386 1 6 . 1 1 120 120 ALA H H 121 8.476 8.476 8.142 0.334 17842 4387 1 6 . 1 1 121 121 GLY N N 122 107.807 107.807 109.695 -1.888 17842 4388 1 6 . 1 1 121 121 GLY C C 122 171.191 171.191 171.593 -0.402 17842 4389 1 6 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.939 0.126 17842 4390 1 6 . 1 1 121 121 GLY H H 122 8.931 8.931 8.257 0.674 17842 4391 1 6 . 1 1 122 122 LEU N N 123 118.400 118.400 118.698 -0.298 17842 4392 1 6 . 1 1 122 122 LEU C C 123 174.684 174.684 173.766 0.918 17842 4393 1 6 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.349 -1.122 17842 4394 1 6 . 1 1 122 122 LEU CB C 123 48.385 48.385 47.098 1.287 17842 4395 1 6 . 1 1 122 122 LEU H H 123 8.351 8.351 7.844 0.507 17842 4396 1 6 . 1 1 123 123 GLN N N 124 113.455 113.455 117.676 -4.221 17842 4397 1 6 . 1 1 123 123 GLN C C 124 173.895 173.895 173.578 0.317 17842 4398 1 6 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.541 -0.537 17842 4399 1 6 . 1 1 123 123 GLN CB C 124 28.135 28.135 33.313 -5.178 17842 4400 1 6 . 1 1 123 123 GLN H H 124 8.159 8.159 8.018 0.141 17842 4401 1 6 . 1 1 124 124 ALA N N 125 118.711 118.711 121.357 -2.646 17842 4402 1 6 . 1 1 124 124 ALA C C 125 174.962 174.962 174.626 0.336 17842 4403 1 6 . 1 1 124 124 ALA CA C 125 50.796 50.796 51.731 -0.935 17842 4404 1 6 . 1 1 124 124 ALA CB C 125 22.006 22.006 22.107 -0.101 17842 4405 1 6 . 1 1 124 124 ALA H H 125 8.638 8.638 8.140 0.498 17842 4406 1 6 . 1 1 125 125 GLY N N 126 103.783 103.783 107.260 -3.477 17842 4407 1 6 . 1 1 125 125 GLY C C 126 170.390 170.390 171.303 -0.913 17842 4408 1 6 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.078 1.332 17842 4409 1 6 . 1 1 125 125 GLY H H 126 7.103 7.103 7.541 -0.438 17842 4410 1 6 . 1 1 126 126 ILE N N 127 118.306 118.306 115.192 3.114 17842 4411 1 6 . 1 1 126 126 ILE C C 127 172.353 172.353 174.099 -1.746 17842 4412 1 6 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.943 -2.350 17842 4413 1 6 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.342 0.822 17842 4414 1 6 . 1 1 126 126 ILE H H 127 8.564 8.564 8.261 0.303 17842 4415 1 6 . 1 1 127 127 LEU N N 128 129.339 129.339 128.203 1.136 17842 4416 1 6 . 1 1 127 127 LEU C C 128 173.613 173.613 176.040 -2.427 17842 4417 1 6 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.026 -0.498 17842 4418 1 6 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.625 3.179 17842 4419 1 6 . 1 1 127 127 LEU H H 128 9.236 9.236 8.425 0.811 17842 4420 1 6 . 1 1 128 128 GLN N N 129 126.801 126.801 126.993 -0.192 17842 4421 1 6 . 1 1 128 128 GLN C C 129 175.093 175.093 174.825 0.268 17842 4422 1 6 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.802 -1.608 17842 4423 1 6 . 1 1 128 128 GLN CB C 129 30.947 30.947 30.733 0.214 17842 4424 1 6 . 1 1 128 128 GLN H H 129 9.352 9.352 9.285 0.067 17842 4425 1 6 . 1 1 129 129 GLU N N 130 126.822 126.822 127.158 -0.336 17842 4426 1 6 . 1 1 129 129 GLU C C 130 176.651 176.651 175.474 1.177 17842 4427 1 6 . 1 1 129 129 GLU CA C 130 56.181 56.181 54.950 1.231 17842 4428 1 6 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.490 -3.729 17842 4429 1 6 . 1 1 129 129 GLU H H 130 8.518 8.518 8.392 0.126 17842 4430 1 6 . 1 1 130 130 LEU N N 131 126.031 126.031 126.108 -0.077 17842 4431 1 6 . 1 1 130 130 LEU C C 131 176.044 176.044 177.111 -1.067 17842 4432 1 6 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.935 -0.760 17842 4433 1 6 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.096 0.759 17842 4434 1 6 . 1 1 130 130 LEU H H 131 8.708 8.708 8.818 -0.110 17842 4435 1 6 . 1 1 131 131 SER N N 132 113.049 113.049 112.325 0.724 17842 4436 1 6 . 1 1 131 131 SER C C 132 174.092 174.092 173.555 0.537 17842 4437 1 6 . 1 1 131 131 SER CA C 132 55.993 55.993 57.964 -1.971 17842 4438 1 6 . 1 1 131 131 SER CB C 132 64.945 64.945 63.539 1.406 17842 4439 1 6 . 1 1 131 131 SER H H 132 8.282 8.282 7.699 0.583 17842 4440 1 6 . 1 1 132 132 LYS C C 133 176.346 176.346 175.512 0.834 17842 4441 1 6 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.431 2.067 17842 4442 1 6 . 1 1 132 132 LYS CB C 133 31.009 31.009 30.053 0.956 17842 4443 1 6 . 1 1 133 133 ASN N N 134 110.795 110.795 116.876 -6.081 17842 4444 1 6 . 1 1 133 133 ASN C C 134 173.897 173.897 172.914 0.983 17842 4445 1 6 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.678 -0.100 17842 4446 1 6 . 1 1 133 133 ASN CB C 134 40.830 40.830 41.842 -1.012 17842 4447 1 6 . 1 1 133 133 ASN H H 134 7.761 7.761 8.116 -0.355 17842 4448 1 6 . 1 1 134 134 ALA N N 135 122.181 122.181 119.304 2.877 17842 4449 1 6 . 1 1 134 134 ALA C C 135 176.250 176.250 175.161 1.089 17842 4450 1 6 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.300 -0.143 17842 4451 1 6 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.487 0.646 17842 4452 1 6 . 1 1 134 134 ALA H H 135 7.562 7.562 7.898 -0.336 17842 4453 1 6 . 1 1 135 135 SER N N 136 114.617 114.617 113.994 0.623 17842 4454 1 6 . 1 1 135 135 SER C C 136 172.507 172.507 173.128 -0.621 17842 4455 1 6 . 1 1 135 135 SER CA C 136 56.164 56.164 56.599 -0.435 17842 4456 1 6 . 1 1 135 135 SER CB C 136 66.255 66.255 66.694 -0.439 17842 4457 1 6 . 1 1 135 135 SER H H 136 8.717 8.717 8.498 0.219 17842 4458 1 6 . 1 1 136 136 ILE N N 137 114.495 114.495 114.946 -0.451 17842 4459 1 6 . 1 1 136 136 ILE C C 137 173.136 173.136 174.066 -0.930 17842 4460 1 6 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.014 -1.593 17842 4461 1 6 . 1 1 136 136 ILE CB C 137 42.700 42.700 41.828 0.872 17842 4462 1 6 . 1 1 136 136 ILE H H 137 8.592 8.592 8.975 -0.383 17842 4463 1 6 . 1 1 137 137 GLU N N 138 122.016 122.016 123.721 -1.705 17842 4464 1 6 . 1 1 137 137 GLU C C 138 173.792 173.792 175.742 -1.950 17842 4465 1 6 . 1 1 137 137 GLU CA C 138 53.537 53.537 53.898 -0.361 17842 4466 1 6 . 1 1 137 137 GLU CB C 138 35.118 35.118 32.986 2.132 17842 4467 1 6 . 1 1 137 137 GLU H H 138 8.902 8.902 8.465 0.437 17842 4468 1 6 . 1 1 138 138 GLY N N 139 107.847 107.847 108.738 -0.891 17842 4469 1 6 . 1 1 138 138 GLY C C 139 171.817 171.817 172.471 -0.654 17842 4470 1 6 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.024 -0.954 17842 4471 1 6 . 1 1 138 138 GLY H H 139 8.485 8.485 8.078 0.407 17842 4472 1 6 . 1 1 139 139 GLY N N 140 108.290 108.290 108.919 -0.629 17842 4473 1 6 . 1 1 139 139 GLY C C 140 169.172 169.172 171.268 -2.096 17842 4474 1 6 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.528 0.186 17842 4475 1 6 . 1 1 139 139 GLY H H 140 7.841 7.841 8.136 -0.295 17842 4476 1 6 . 1 1 140 140 TYR N N 141 119.674 119.674 119.303 0.371 17842 4477 1 6 . 1 1 140 140 TYR C C 141 173.643 173.643 173.717 -0.074 17842 4478 1 6 . 1 1 140 140 TYR CA C 141 55.179 55.179 57.147 -1.968 17842 4479 1 6 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.929 -0.785 17842 4480 1 6 . 1 1 140 140 TYR H H 141 8.726 8.726 8.773 -0.047 17842 4481 1 6 . 1 1 141 141 ARG N N 142 125.021 125.021 119.247 5.774 17842 4482 1 6 . 1 1 141 141 ARG C C 142 173.533 173.533 173.869 -0.336 17842 4483 1 6 . 1 1 141 141 ARG CA C 142 53.813 53.813 55.170 -1.357 17842 4484 1 6 . 1 1 141 141 ARG CB C 142 33.239 33.239 33.739 -0.500 17842 4485 1 6 . 1 1 141 141 ARG H H 142 8.502 8.502 8.965 -0.463 17842 4486 1 6 . 1 1 142 142 TYR N N 143 128.805 128.805 119.221 9.584 17842 4487 1 6 . 1 1 142 142 TYR C C 143 173.475 173.475 173.729 -0.254 17842 4488 1 6 . 1 1 142 142 TYR CA C 143 56.428 56.428 55.616 0.812 17842 4489 1 6 . 1 1 142 142 TYR CB C 143 41.642 41.642 39.458 2.184 17842 4490 1 6 . 1 1 142 142 TYR H H 143 8.978 8.978 8.289 0.689 17842 4491 1 6 . 1 1 143 143 LEU N N 144 125.513 125.513 119.370 6.143 17842 4492 1 6 . 1 1 143 143 LEU C C 144 175.370 175.370 175.565 -0.195 17842 4493 1 6 . 1 1 143 143 LEU CA C 144 52.893 52.893 53.861 -0.968 17842 4494 1 6 . 1 1 143 143 LEU CB C 144 45.924 45.924 45.818 0.106 17842 4495 1 6 . 1 1 143 143 LEU H H 144 8.117 8.117 7.922 0.195 17842 4496 1 6 . 1 1 144 144 ARG N N 145 122.193 122.193 119.744 2.449 17842 4497 1 6 . 1 1 144 144 ARG C C 145 175.452 175.452 175.195 0.257 17842 4498 1 6 . 1 1 144 144 ARG CA C 145 54.077 54.077 55.050 -0.973 17842 4499 1 6 . 1 1 144 144 ARG CB C 145 31.377 31.377 33.637 -2.260 17842 4500 1 6 . 1 1 144 144 ARG H H 145 8.810 8.810 8.580 0.230 17842 4501 1 6 . 1 1 145 145 THR C C 146 172.708 172.708 174.067 -1.359 17842 4502 1 6 . 1 1 145 145 THR CA C 146 59.117 59.117 60.474 -1.357 17842 4503 1 6 . 1 1 145 145 THR CB C 146 70.345 70.345 70.202 0.143 17842 4504 1 6 . 1 1 146 146 ASN N N 147 120.236 120.236 125.453 -5.217 17842 4505 1 6 . 1 1 146 146 ASN C C 147 175.341 175.341 173.788 1.553 17842 4506 1 6 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.804 -1.925 17842 4507 1 6 . 1 1 146 146 ASN CB C 147 38.462 38.462 41.172 -2.710 17842 4508 1 6 . 1 1 146 146 ASN H H 147 8.259 8.259 8.599 -0.340 17842 4509 1 6 . 1 1 147 147 ALA N N 148 124.724 124.724 125.130 -0.406 17842 4510 1 6 . 1 1 147 147 ALA C C 148 176.378 176.378 177.698 -1.320 17842 4511 1 6 . 1 1 147 147 ALA CA C 148 52.179 52.179 50.788 1.391 17842 4512 1 6 . 1 1 147 147 ALA CB C 148 18.626 18.626 20.820 -2.195 17842 4513 1 6 . 1 1 147 147 ALA H H 148 8.256 8.256 8.257 -0.001 17842 4514 1 6 . 1 1 148 148 SER N N 149 115.670 115.670 116.966 -1.296 17842 4515 1 6 . 1 1 148 148 SER C C 149 174.123 174.123 174.712 -0.589 17842 4516 1 6 . 1 1 148 148 SER CA C 149 57.281 57.281 58.321 -1.040 17842 4517 1 6 . 1 1 148 148 SER CB C 149 64.685 64.685 61.977 2.708 17842 4518 1 6 . 1 1 148 148 SER H H 149 8.372 8.372 8.764 -0.392 17842 4519 1 6 . 1 1 149 149 THR N N 150 115.292 115.292 119.931 -4.639 17842 4520 1 6 . 1 1 149 149 THR C C 150 173.858 173.858 174.343 -0.485 17842 4521 1 6 . 1 1 149 149 THR CA C 150 61.189 61.189 62.679 -1.490 17842 4522 1 6 . 1 1 149 149 THR CB C 150 69.105 69.105 69.747 -0.642 17842 4523 1 6 . 1 1 149 149 THR H H 150 8.228 8.228 8.201 0.027 17842 4524 1 6 . 1 1 150 150 GLU N N 151 123.244 123.244 119.601 3.643 17842 4525 1 6 . 1 1 150 150 GLU C C 151 176.121 176.121 175.511 0.610 17842 4526 1 6 . 1 1 150 150 GLU CA C 151 56.002 56.002 56.311 -0.309 17842 4527 1 6 . 1 1 150 150 GLU CB C 151 29.931 29.931 30.902 -0.971 17842 4528 1 6 . 1 1 150 150 GLU H H 151 8.186 8.186 7.918 0.268 17842 4529 1 6 . 1 1 151 151 MET N N 152 121.600 121.600 120.934 0.666 17842 4530 1 6 . 1 1 151 151 MET C C 152 175.810 175.810 176.318 -0.508 17842 4531 1 6 . 1 1 151 151 MET CA C 152 55.254 55.254 56.095 -0.841 17842 4532 1 6 . 1 1 151 151 MET CB C 152 33.247 33.247 32.985 0.262 17842 4533 1 6 . 1 1 151 151 MET H H 152 8.248 8.248 8.216 0.032 17842 4534 1 6 . 1 1 152 152 THR N N 153 117.486 117.486 114.060 3.426 17842 4535 1 6 . 1 1 152 152 THR C C 153 172.907 172.907 172.607 0.300 17842 4536 1 6 . 1 1 152 152 THR CA C 153 59.365 59.365 59.906 -0.541 17842 4537 1 6 . 1 1 152 152 THR CB C 153 69.366 69.366 69.525 -0.160 17842 4538 1 6 . 1 1 152 152 THR H H 153 8.113 8.113 8.342 -0.230 17842 4539 1 6 . 1 1 155 155 GLY C C 156 174.620 174.620 173.961 0.659 17842 4540 1 6 . 1 1 155 155 GLY CA C 156 45.280 45.280 45.140 0.140 17842 4541 1 6 . 1 1 156 156 GLY N N 157 109.059 109.059 108.509 0.550 17842 4542 1 6 . 1 1 156 156 GLY C C 157 173.801 173.801 173.706 0.095 17842 4543 1 6 . 1 1 156 156 GLY CA C 157 44.929 44.929 44.889 0.040 17842 4544 1 6 . 1 1 156 156 GLY H H 157 8.175 8.175 8.351 -0.176 17842 4545 1 6 . 1 1 157 157 ASN N N 158 118.630 118.630 117.271 1.359 17842 4546 1 6 . 1 1 157 157 ASN C C 158 175.025 175.025 174.572 0.453 17842 4547 1 6 . 1 1 157 157 ASN CA C 158 52.791 52.791 52.535 0.257 17842 4548 1 6 . 1 1 157 157 ASN CB C 158 38.532 38.532 39.379 -0.847 17842 4549 1 6 . 1 1 157 157 ASN H H 158 8.114 8.114 8.179 -0.065 17842 4550 1 6 . 1 1 158 158 LYS N N 159 121.755 121.755 119.439 2.316 17842 4551 1 6 . 1 1 158 158 LYS C C 159 176.361 176.361 176.442 -0.081 17842 4552 1 6 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.794 -0.321 17842 4553 1 6 . 1 1 158 158 LYS CB C 159 32.403 32.403 32.620 -0.217 17842 4554 1 6 . 1 1 158 158 LYS H H 159 8.169 8.169 8.361 -0.192 17842 4555 1 6 . 1 1 159 159 LEU N N 160 123.084 123.084 121.127 1.957 17842 4556 1 6 . 1 1 159 159 LEU C C 160 177.408 177.408 177.718 -0.310 17842 4557 1 6 . 1 1 159 159 LEU CA C 160 55.162 55.162 54.902 0.260 17842 4558 1 6 . 1 1 159 159 LEU CB C 160 42.690 42.690 42.881 -0.191 17842 4559 1 6 . 1 1 159 159 LEU H H 160 8.173 8.173 7.926 0.246 17842 4560 1 6 . 1 1 160 160 GLY N N 161 109.180 109.180 109.933 -0.753 17842 4561 1 6 . 1 1 160 160 GLY C C 161 173.574 173.574 173.898 -0.324 17842 4562 1 6 . 1 1 160 160 GLY CA C 161 44.877 44.877 45.304 -0.427 17842 4563 1 6 . 1 1 160 160 GLY H H 161 8.117 8.117 8.389 -0.272 17842 4564 1 6 . 1 1 161 161 SER N N 162 115.719 115.719 113.397 2.322 17842 4565 1 6 . 1 1 161 161 SER C C 162 173.715 173.715 173.740 -0.025 17842 4566 1 6 . 1 1 161 161 SER CA C 162 57.965 57.965 57.834 0.131 17842 4567 1 6 . 1 1 161 161 SER CB C 162 63.856 63.856 65.255 -1.399 17842 4568 1 6 . 1 1 161 161 SER H H 162 8.064 8.064 7.608 0.456 17842 4569 1 6 . 1 1 162 162 LEU N N 163 123.433 123.433 122.303 1.130 17842 4570 1 6 . 1 1 162 162 LEU C C 163 175.609 175.609 176.300 -0.691 17842 4571 1 6 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.052 -0.667 17842 4572 1 6 . 1 1 162 162 LEU CB C 163 43.046 43.046 42.623 0.423 17842 4573 1 6 . 1 1 162 162 LEU H H 163 8.282 8.282 8.139 0.143 17842 4574 1 6 . 1 1 163 163 ASP N N 164 122.223 122.223 120.612 1.611 17842 4575 1 6 . 1 1 163 163 ASP C C 164 175.122 175.122 174.558 0.564 17842 4576 1 6 . 1 1 163 163 ASP CA C 164 53.400 53.400 53.641 -0.241 17842 4577 1 6 . 1 1 163 163 ASP CB C 164 41.200 41.200 42.527 -1.327 17842 4578 1 6 . 1 1 163 163 ASP H H 164 8.356 8.356 8.323 0.033 17842 4579 1 6 . 1 1 166 166 SER C C 167 172.472 172.472 174.472 -2.000 17842 4580 1 6 . 1 1 166 166 SER CA C 167 56.760 56.760 58.523 -1.763 17842 4581 1 6 . 1 1 167 167 SER N N 168 115.939 115.939 117.064 -1.125 17842 4582 1 6 . 1 1 167 167 SER C C 168 173.318 173.318 173.067 0.251 17842 4583 1 6 . 1 1 167 167 SER CA C 168 56.763 56.763 57.406 -0.643 17842 4584 1 6 . 1 1 167 167 SER CB C 168 65.286 65.286 63.671 1.615 17842 4585 1 6 . 1 1 167 167 SER H H 168 8.678 8.678 8.398 0.280 17842 4586 1 6 . 1 1 168 168 SER C C 169 172.500 172.500 173.843 -1.343 17842 4587 1 6 . 1 1 168 168 SER CA C 169 56.569 56.569 57.425 -0.856 17842 4588 1 6 . 1 1 168 168 SER CB C 169 65.738 65.738 64.790 0.948 17842 4589 1 6 . 1 1 169 169 GLN N N 170 122.951 122.951 123.404 -0.453 17842 4590 1 6 . 1 1 169 169 GLN C C 170 174.697 174.697 173.890 0.807 17842 4591 1 6 . 1 1 169 169 GLN CA C 170 54.038 54.038 55.097 -1.059 17842 4592 1 6 . 1 1 169 169 GLN CB C 170 32.383 32.383 33.948 -1.565 17842 4593 1 6 . 1 1 169 169 GLN H H 170 8.745 8.745 8.121 0.624 17842 4594 1 6 . 1 1 170 170 PHE N N 171 125.628 125.628 120.649 4.979 17842 4595 1 6 . 1 1 170 170 PHE C C 171 174.628 174.628 173.869 0.759 17842 4596 1 6 . 1 1 170 170 PHE CA C 171 56.200 56.200 56.055 0.145 17842 4597 1 6 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.586 -1.034 17842 4598 1 6 . 1 1 170 170 PHE H H 171 7.771 7.771 8.168 -0.397 17842 4599 1 6 . 1 1 171 171 TYR N N 172 121.558 121.558 120.194 1.364 17842 4600 1 6 . 1 1 171 171 TYR C C 172 171.727 171.727 173.628 -1.901 17842 4601 1 6 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.493 -1.447 17842 4602 1 6 . 1 1 171 171 TYR CB C 172 42.439 42.439 41.984 0.455 17842 4603 1 6 . 1 1 171 171 TYR H H 172 8.696 8.696 7.825 0.871 17842 4604 1 6 . 1 1 172 172 LEU N N 173 119.230 119.230 125.697 -6.467 17842 4605 1 6 . 1 1 172 172 LEU C C 173 176.352 176.352 174.726 1.626 17842 4606 1 6 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.726 -1.983 17842 4607 1 6 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.161 0.376 17842 4608 1 6 . 1 1 172 172 LEU H H 173 8.971 8.971 7.868 1.103 17842 4609 1 6 . 1 1 173 173 GLY N N 174 107.248 107.248 111.041 -3.793 17842 4610 1 6 . 1 1 173 173 GLY C C 174 170.680 170.680 172.012 -1.332 17842 4611 1 6 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.180 -1.260 17842 4612 1 6 . 1 1 173 173 GLY H H 174 9.085 9.085 8.985 0.100 17842 4613 1 6 . 1 1 174 174 ALA N N 175 121.461 121.461 121.747 -0.286 17842 4614 1 6 . 1 1 174 174 ALA C C 175 174.546 174.546 175.535 -0.989 17842 4615 1 6 . 1 1 174 174 ALA CA C 175 50.312 50.312 49.958 0.354 17842 4616 1 6 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.392 -0.749 17842 4617 1 6 . 1 1 174 174 ALA H H 175 8.575 8.575 8.010 0.565 17842 4618 1 6 . 1 1 175 175 ASN N N 176 117.370 117.370 116.985 0.385 17842 4619 1 6 . 1 1 175 175 ASN C C 176 173.370 173.370 173.320 0.050 17842 4620 1 6 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.735 -2.136 17842 4621 1 6 . 1 1 175 175 ASN CB C 176 41.957 41.957 43.007 -1.050 17842 4622 1 6 . 1 1 175 175 ASN H H 176 8.762 8.762 8.433 0.329 17842 4623 1 6 . 1 1 176 176 TYR N N 177 122.724 122.724 126.716 -3.992 17842 4624 1 6 . 1 1 176 176 TYR C C 177 173.924 173.924 174.889 -0.965 17842 4625 1 6 . 1 1 176 176 TYR CA C 177 56.438 56.438 57.415 -0.977 17842 4626 1 6 . 1 1 176 176 TYR CB C 177 42.401 42.401 40.985 1.416 17842 4627 1 6 . 1 1 176 176 TYR H H 177 9.570 9.570 9.200 0.370 17842 4628 1 6 . 1 1 177 177 LYS N N 178 127.067 127.067 126.244 0.823 17842 4629 1 6 . 1 1 177 177 LYS C C 178 174.336 174.336 175.205 -0.869 17842 4630 1 6 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.118 -0.875 17842 4631 1 6 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.265 0.686 17842 4632 1 6 . 1 1 177 177 LYS H H 178 8.284 8.284 7.932 0.352 17842 4633 1 7 . 1 1 2 2 ASP N N 3 119.767 119.767 121.110 -1.343 17842 4634 1 7 . 1 1 2 2 ASP C C 3 175.809 175.809 174.981 0.828 17842 4635 1 7 . 1 1 2 2 ASP CA C 3 53.303 53.303 53.353 -0.050 17842 4636 1 7 . 1 1 2 2 ASP CB C 3 42.915 42.915 44.302 -1.387 17842 4637 1 7 . 1 1 2 2 ASP H H 3 8.443 8.443 8.189 0.254 17842 4638 1 7 . 1 1 3 3 ASN N N 4 123.667 123.667 118.699 4.968 17842 4639 1 7 . 1 1 3 3 ASN C C 4 174.736 174.736 174.073 0.663 17842 4640 1 7 . 1 1 3 3 ASN CA C 4 52.911 52.911 52.645 0.265 17842 4641 1 7 . 1 1 3 3 ASN CB C 4 39.160 39.160 41.193 -2.033 17842 4642 1 7 . 1 1 3 3 ASN H H 4 8.923 8.923 8.579 0.344 17842 4643 1 7 . 1 1 4 4 PHE N N 5 118.447 118.447 123.969 -5.522 17842 4644 1 7 . 1 1 4 4 PHE C C 5 172.331 172.331 173.896 -1.565 17842 4645 1 7 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.222 -1.170 17842 4646 1 7 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.514 -0.651 17842 4647 1 7 . 1 1 4 4 PHE H H 5 8.910 8.910 9.044 -0.134 17842 4648 1 7 . 1 1 5 5 VAL N N 6 116.195 116.195 121.597 -5.402 17842 4649 1 7 . 1 1 5 5 VAL C C 6 174.144 174.144 174.963 -0.819 17842 4650 1 7 . 1 1 5 5 VAL CA C 6 58.529 58.529 62.125 -3.596 17842 4651 1 7 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.475 0.343 17842 4652 1 7 . 1 1 5 5 VAL H H 6 8.903 8.903 8.654 0.249 17842 4653 1 7 . 1 1 6 6 GLY N N 7 110.150 110.150 113.855 -3.705 17842 4654 1 7 . 1 1 6 6 GLY C C 7 170.825 170.825 171.943 -1.118 17842 4655 1 7 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.839 0.379 17842 4656 1 7 . 1 1 6 6 GLY H H 7 8.670 8.670 8.757 -0.087 17842 4657 1 7 . 1 1 7 7 LEU N N 8 120.059 120.059 115.840 4.219 17842 4658 1 7 . 1 1 7 7 LEU C C 8 175.596 175.596 174.328 1.268 17842 4659 1 7 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.483 -1.550 17842 4660 1 7 . 1 1 7 7 LEU CB C 8 47.663 47.663 44.797 2.866 17842 4661 1 7 . 1 1 7 7 LEU H H 8 8.562 8.562 8.226 0.336 17842 4662 1 7 . 1 1 8 8 THR N N 9 112.180 112.180 111.196 0.984 17842 4663 1 7 . 1 1 8 8 THR C C 9 172.942 172.942 172.920 0.022 17842 4664 1 7 . 1 1 8 8 THR CA C 9 59.539 59.539 62.234 -2.695 17842 4665 1 7 . 1 1 8 8 THR CB C 9 70.735 70.735 71.951 -1.216 17842 4666 1 7 . 1 1 8 8 THR H H 9 9.114 9.114 7.796 1.318 17842 4667 1 7 . 1 1 9 9 TRP N N 10 121.476 121.476 123.496 -2.020 17842 4668 1 7 . 1 1 9 9 TRP C C 10 174.622 174.622 176.410 -1.788 17842 4669 1 7 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.520 0.898 17842 4670 1 7 . 1 1 9 9 TRP CB C 10 31.877 31.877 30.563 1.314 17842 4671 1 7 . 1 1 9 9 TRP H H 10 9.022 9.022 9.351 -0.329 17842 4672 1 7 . 1 1 10 10 GLY N N 11 112.750 112.750 112.183 0.567 17842 4673 1 7 . 1 1 10 10 GLY C C 11 171.655 171.655 172.699 -1.044 17842 4674 1 7 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.875 1.065 17842 4675 1 7 . 1 1 10 10 GLY H H 11 7.798 7.798 9.296 -1.498 17842 4676 1 7 . 1 1 11 11 GLU N N 12 117.292 117.292 124.191 -6.899 17842 4677 1 7 . 1 1 11 11 GLU C C 12 175.810 175.810 175.742 0.068 17842 4678 1 7 . 1 1 11 11 GLU CA C 12 53.743 53.743 54.952 -1.209 17842 4679 1 7 . 1 1 11 11 GLU CB C 12 31.361 31.361 32.505 -1.144 17842 4680 1 7 . 1 1 11 11 GLU H H 12 8.223 8.223 8.602 -0.379 17842 4681 1 7 . 1 1 12 12 THR N N 13 123.477 123.477 117.588 5.889 17842 4682 1 7 . 1 1 12 12 THR C C 13 174.233 174.233 173.980 0.253 17842 4683 1 7 . 1 1 12 12 THR CA C 13 61.872 61.872 61.074 0.798 17842 4684 1 7 . 1 1 12 12 THR CB C 13 69.374 69.374 69.610 -0.236 17842 4685 1 7 . 1 1 12 12 THR H H 13 8.722 8.722 8.438 0.284 17842 4686 1 7 . 1 1 13 13 SER N N 14 122.220 122.220 120.412 1.808 17842 4687 1 7 . 1 1 13 13 SER C C 14 173.577 173.577 173.442 0.135 17842 4688 1 7 . 1 1 13 13 SER CA C 14 56.934 56.934 58.708 -1.774 17842 4689 1 7 . 1 1 13 13 SER CB C 14 64.249 64.249 64.460 -0.211 17842 4690 1 7 . 1 1 13 13 SER H H 14 9.225 9.225 8.650 0.575 17842 4691 1 7 . 1 1 14 14 ASN N N 15 125.159 125.159 122.821 2.338 17842 4692 1 7 . 1 1 14 14 ASN C C 15 174.673 174.673 174.361 0.312 17842 4693 1 7 . 1 1 14 14 ASN CA C 15 51.888 51.888 52.576 -0.688 17842 4694 1 7 . 1 1 14 14 ASN CB C 15 39.777 39.777 40.260 -0.483 17842 4695 1 7 . 1 1 14 14 ASN H H 15 8.745 8.745 8.392 0.353 17842 4696 1 7 . 1 1 15 15 ASN N N 16 120.330 120.330 121.093 -0.763 17842 4697 1 7 . 1 1 15 15 ASN C C 16 175.886 175.886 174.978 0.908 17842 4698 1 7 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.045 -0.265 17842 4699 1 7 . 1 1 15 15 ASN CB C 16 38.595 38.595 38.908 -0.313 17842 4700 1 7 . 1 1 15 15 ASN H H 16 8.494 8.494 8.631 -0.137 17842 4701 1 7 . 1 1 20 20 LYS C C 21 176.705 176.705 175.532 1.173 17842 4702 1 7 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.857 -0.174 17842 4703 1 7 . 1 1 21 21 SER N N 22 115.966 115.966 119.825 -3.859 17842 4704 1 7 . 1 1 21 21 SER C C 22 174.564 174.564 174.732 -0.168 17842 4705 1 7 . 1 1 21 21 SER CA C 22 58.149 58.149 57.830 0.319 17842 4706 1 7 . 1 1 21 21 SER CB C 22 63.308 63.308 63.459 -0.151 17842 4707 1 7 . 1 1 21 21 SER H H 22 8.053 8.053 8.679 -0.626 17842 4708 1 7 . 1 1 22 22 LEU N N 23 123.751 123.751 127.827 -4.076 17842 4709 1 7 . 1 1 22 22 LEU C C 23 176.968 176.968 176.653 0.315 17842 4710 1 7 . 1 1 22 22 LEU CA C 23 55.269 55.269 54.591 0.678 17842 4711 1 7 . 1 1 22 22 LEU CB C 23 42.334 42.334 41.927 0.407 17842 4712 1 7 . 1 1 22 22 LEU H H 23 8.006 8.006 8.750 -0.744 17842 4713 1 7 . 1 1 23 23 ASN N N 24 118.937 118.937 118.363 0.574 17842 4714 1 7 . 1 1 23 23 ASN C C 24 175.119 175.119 175.218 -0.099 17842 4715 1 7 . 1 1 23 23 ASN CA C 24 52.993 52.993 53.957 -0.964 17842 4716 1 7 . 1 1 23 23 ASN CB C 24 38.255 38.255 39.250 -0.995 17842 4717 1 7 . 1 1 23 23 ASN H H 24 8.136 8.136 8.255 -0.119 17842 4718 1 7 . 1 1 24 24 ARG N N 25 121.500 121.500 121.724 -0.224 17842 4719 1 7 . 1 1 24 24 ARG C C 25 175.849 175.849 176.275 -0.426 17842 4720 1 7 . 1 1 24 24 ARG CA C 25 56.368 56.368 56.536 -0.168 17842 4721 1 7 . 1 1 24 24 ARG CB C 25 30.366 30.366 29.978 0.388 17842 4722 1 7 . 1 1 24 24 ARG H H 25 8.097 8.097 8.450 -0.353 17842 4723 1 7 . 1 1 25 25 ASN N N 26 119.196 119.196 121.908 -2.712 17842 4724 1 7 . 1 1 25 25 ASN C C 26 175.122 175.122 175.745 -0.623 17842 4725 1 7 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.418 -0.357 17842 4726 1 7 . 1 1 25 25 ASN CB C 26 38.291 38.291 39.533 -1.242 17842 4727 1 7 . 1 1 25 25 ASN H H 26 8.278 8.278 8.573 -0.295 17842 4728 1 7 . 1 1 26 26 LEU N N 27 122.352 122.352 119.411 2.941 17842 4729 1 7 . 1 1 26 26 LEU C C 27 176.903 176.903 174.999 1.904 17842 4730 1 7 . 1 1 26 26 LEU CA C 27 55.326 55.326 54.826 0.500 17842 4731 1 7 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.754 -0.568 17842 4732 1 7 . 1 1 26 26 LEU H H 27 7.992 7.992 8.082 -0.090 17842 4733 1 7 . 1 1 27 27 ASN N N 28 118.444 118.444 121.020 -2.576 17842 4734 1 7 . 1 1 27 27 ASN C C 28 174.754 174.754 173.903 0.851 17842 4735 1 7 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.074 -0.114 17842 4736 1 7 . 1 1 27 27 ASN CB C 28 38.419 38.419 38.983 -0.564 17842 4737 1 7 . 1 1 27 27 ASN H H 28 8.216 8.216 8.414 -0.198 17842 4738 1 7 . 1 1 28 28 SER N N 29 116.471 116.471 119.872 -3.401 17842 4739 1 7 . 1 1 28 28 SER C C 29 172.778 172.778 173.127 -0.349 17842 4740 1 7 . 1 1 28 28 SER CA C 29 55.982 55.982 55.940 0.042 17842 4741 1 7 . 1 1 28 28 SER CB C 29 63.179 63.179 64.699 -1.520 17842 4742 1 7 . 1 1 28 28 SER H H 29 7.833 7.833 8.231 -0.398 17842 4743 1 7 . 1 1 29 29 PRO C C 30 176.535 176.535 176.662 -0.127 17842 4744 1 7 . 1 1 29 29 PRO CA C 30 63.458 63.458 64.085 -0.627 17842 4745 1 7 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.248 -0.576 17842 4746 1 7 . 1 1 30 30 ASN N N 31 118.189 118.189 113.841 4.348 17842 4747 1 7 . 1 1 30 30 ASN C C 31 175.075 175.075 173.607 1.468 17842 4748 1 7 . 1 1 30 30 ASN CA C 31 53.051 53.051 52.347 0.703 17842 4749 1 7 . 1 1 30 30 ASN CB C 31 38.277 38.277 40.422 -2.145 17842 4750 1 7 . 1 1 30 30 ASN H H 31 8.231 8.231 8.018 0.213 17842 4751 1 7 . 1 1 31 31 LEU N N 32 122.838 122.838 120.588 2.250 17842 4752 1 7 . 1 1 31 31 LEU C C 32 176.800 176.800 175.416 1.384 17842 4753 1 7 . 1 1 31 31 LEU CA C 32 55.107 55.107 56.265 -1.158 17842 4754 1 7 . 1 1 31 31 LEU CB C 32 42.291 42.291 41.292 0.999 17842 4755 1 7 . 1 1 31 31 LEU H H 32 8.011 8.011 8.690 -0.679 17842 4756 1 7 . 1 1 32 32 ASP N N 33 120.740 120.740 120.728 0.012 17842 4757 1 7 . 1 1 32 32 ASP C C 33 175.863 175.863 177.037 -1.174 17842 4758 1 7 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.984 -0.653 17842 4759 1 7 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.284 -0.526 17842 4760 1 7 . 1 1 32 32 ASP H H 33 8.151 8.151 8.580 -0.429 17842 4761 1 7 . 1 1 33 33 LYS N N 34 120.746 120.746 119.824 0.922 17842 4762 1 7 . 1 1 33 33 LYS C C 34 175.912 175.912 177.059 -1.147 17842 4763 1 7 . 1 1 33 33 LYS CA C 34 55.865 55.865 57.789 -1.924 17842 4764 1 7 . 1 1 33 33 LYS CB C 34 32.738 32.738 32.995 -0.257 17842 4765 1 7 . 1 1 33 33 LYS H H 34 7.933 7.933 8.627 -0.694 17842 4766 1 7 . 1 1 34 34 VAL N N 35 121.590 121.590 114.525 7.065 17842 4767 1 7 . 1 1 34 34 VAL C C 35 175.691 175.691 174.889 0.802 17842 4768 1 7 . 1 1 34 34 VAL CA C 35 62.186 62.186 61.614 0.572 17842 4769 1 7 . 1 1 34 34 VAL CB C 35 32.591 32.591 30.812 1.779 17842 4770 1 7 . 1 1 34 34 VAL H H 35 7.995 7.995 7.891 0.104 17842 4771 1 7 . 1 1 35 35 ILE N N 36 124.025 124.025 116.438 7.587 17842 4772 1 7 . 1 1 35 35 ILE C C 36 175.266 175.266 175.101 0.165 17842 4773 1 7 . 1 1 35 35 ILE CA C 36 60.495 60.495 60.664 -0.169 17842 4774 1 7 . 1 1 35 35 ILE CB C 36 38.489 38.489 38.186 0.303 17842 4775 1 7 . 1 1 35 35 ILE H H 36 8.034 8.034 7.411 0.623 17842 4776 1 7 . 1 1 36 36 ASP N N 37 125.860 125.860 124.627 1.233 17842 4777 1 7 . 1 1 36 36 ASP C C 37 175.014 175.014 176.411 -1.397 17842 4778 1 7 . 1 1 36 36 ASP CA C 37 53.719 53.719 54.863 -1.144 17842 4779 1 7 . 1 1 36 36 ASP CB C 37 41.755 41.755 41.663 0.092 17842 4780 1 7 . 1 1 36 36 ASP H H 37 8.190 8.190 8.547 -0.357 17842 4781 1 7 . 1 1 37 37 ASN N N 38 120.770 120.770 119.234 1.536 17842 4782 1 7 . 1 1 37 37 ASN C C 38 174.821 174.821 176.275 -1.454 17842 4783 1 7 . 1 1 37 37 ASN CA C 38 53.157 53.157 52.639 0.518 17842 4784 1 7 . 1 1 37 37 ASN CB C 38 38.663 38.663 38.727 -0.064 17842 4785 1 7 . 1 1 37 37 ASN H H 38 8.334 8.334 8.460 -0.126 17842 4786 1 7 . 1 1 38 38 THR N N 39 115.976 115.976 119.407 -3.431 17842 4787 1 7 . 1 1 38 38 THR C C 39 175.226 175.226 174.915 0.311 17842 4788 1 7 . 1 1 38 38 THR CA C 39 62.215 62.215 63.620 -1.405 17842 4789 1 7 . 1 1 38 38 THR CB C 39 69.618 69.618 69.453 0.165 17842 4790 1 7 . 1 1 38 38 THR H H 39 8.508 8.508 8.750 -0.242 17842 4791 1 7 . 1 1 39 39 GLY N N 40 115.818 115.818 109.184 6.634 17842 4792 1 7 . 1 1 39 39 GLY C C 40 172.862 172.862 172.368 0.494 17842 4793 1 7 . 1 1 39 39 GLY CA C 40 46.168 46.168 44.718 1.450 17842 4794 1 7 . 1 1 39 39 GLY H H 40 8.819 8.819 7.960 0.859 17842 4795 1 7 . 1 1 40 40 THR N N 41 119.787 119.787 114.460 5.327 17842 4796 1 7 . 1 1 40 40 THR C C 41 172.914 172.914 173.522 -0.608 17842 4797 1 7 . 1 1 40 40 THR CA C 41 61.321 61.321 60.519 0.802 17842 4798 1 7 . 1 1 40 40 THR CB C 41 71.499 71.499 70.112 1.387 17842 4799 1 7 . 1 1 40 40 THR H H 41 8.117 8.117 8.409 -0.292 17842 4800 1 7 . 1 1 41 41 TRP N N 42 128.090 128.090 131.074 -2.984 17842 4801 1 7 . 1 1 41 41 TRP C C 42 174.627 174.627 175.378 -0.751 17842 4802 1 7 . 1 1 41 41 TRP CA C 42 55.122 55.122 57.117 -1.995 17842 4803 1 7 . 1 1 41 41 TRP CB C 42 31.905 31.905 31.053 0.852 17842 4804 1 7 . 1 1 41 41 TRP H H 42 8.178 8.178 8.742 -0.564 17842 4805 1 7 . 1 1 42 42 GLY N N 43 109.883 109.883 113.494 -3.611 17842 4806 1 7 . 1 1 42 42 GLY C C 43 172.317 172.317 171.948 0.369 17842 4807 1 7 . 1 1 42 42 GLY CA C 43 44.176 44.176 44.226 -0.050 17842 4808 1 7 . 1 1 42 42 GLY H H 43 8.892 8.892 7.537 1.355 17842 4809 1 7 . 1 1 43 43 ILE N N 44 118.005 118.005 118.232 -0.227 17842 4810 1 7 . 1 1 43 43 ILE C C 44 173.071 173.071 174.556 -1.485 17842 4811 1 7 . 1 1 43 43 ILE CA C 44 58.606 58.606 59.777 -1.171 17842 4812 1 7 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.514 0.616 17842 4813 1 7 . 1 1 43 43 ILE H H 44 8.879 8.879 7.599 1.280 17842 4814 1 7 . 1 1 44 44 ARG N N 45 120.855 120.855 120.109 0.746 17842 4815 1 7 . 1 1 44 44 ARG C C 45 174.942 174.942 174.457 0.485 17842 4816 1 7 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.312 -1.423 17842 4817 1 7 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.930 -0.978 17842 4818 1 7 . 1 1 44 44 ARG H H 45 8.708 8.708 8.877 -0.169 17842 4819 1 7 . 1 1 45 45 ALA N N 46 119.127 119.127 126.422 -7.295 17842 4820 1 7 . 1 1 45 45 ALA C C 46 175.693 175.693 175.094 0.599 17842 4821 1 7 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.140 -1.520 17842 4822 1 7 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.869 -0.087 17842 4823 1 7 . 1 1 45 45 ALA H H 46 8.419 8.419 8.402 0.017 17842 4824 1 7 . 1 1 46 46 GLY N N 47 107.350 107.350 109.238 -1.888 17842 4825 1 7 . 1 1 46 46 GLY C C 47 171.353 171.353 171.749 -0.396 17842 4826 1 7 . 1 1 46 46 GLY CA C 47 45.630 45.630 45.592 0.038 17842 4827 1 7 . 1 1 46 46 GLY H H 47 7.819 7.819 9.304 -1.485 17842 4828 1 7 . 1 1 47 47 GLN N N 48 118.061 118.061 117.988 0.073 17842 4829 1 7 . 1 1 47 47 GLN C C 48 173.671 173.671 174.012 -0.341 17842 4830 1 7 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.029 0.336 17842 4831 1 7 . 1 1 47 47 GLN CB C 48 32.912 32.912 32.664 0.247 17842 4832 1 7 . 1 1 47 47 GLN H H 48 8.483 8.483 7.674 0.809 17842 4833 1 7 . 1 1 48 48 GLN N N 49 122.691 122.691 121.915 0.776 17842 4834 1 7 . 1 1 48 48 GLN C C 49 173.291 173.291 174.619 -1.328 17842 4835 1 7 . 1 1 48 48 GLN CA C 49 54.593 54.593 56.335 -1.742 17842 4836 1 7 . 1 1 48 48 GLN CB C 49 30.750 30.750 30.442 0.308 17842 4837 1 7 . 1 1 48 48 GLN H H 49 9.319 9.319 8.779 0.540 17842 4838 1 7 . 1 1 49 49 PHE N N 50 126.379 126.379 121.804 4.575 17842 4839 1 7 . 1 1 49 49 PHE C C 50 175.918 175.918 175.968 -0.050 17842 4840 1 7 . 1 1 49 49 PHE CA C 50 55.013 55.013 56.279 -1.266 17842 4841 1 7 . 1 1 49 49 PHE CB C 50 39.974 39.974 41.532 -1.558 17842 4842 1 7 . 1 1 49 49 PHE H H 50 8.781 8.781 9.200 -0.419 17842 4843 1 7 . 1 1 50 50 GLU N N 51 121.087 121.087 120.568 0.519 17842 4844 1 7 . 1 1 50 50 GLU C C 51 178.452 178.452 177.183 1.269 17842 4845 1 7 . 1 1 50 50 GLU CA C 51 60.435 60.435 60.145 0.290 17842 4846 1 7 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.556 -0.870 17842 4847 1 7 . 1 1 50 50 GLU H H 51 8.975 8.975 9.215 -0.240 17842 4848 1 7 . 1 1 51 51 GLN N N 52 111.198 111.198 114.950 -3.752 17842 4849 1 7 . 1 1 51 51 GLN C C 52 176.031 176.031 174.940 1.091 17842 4850 1 7 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.908 -0.072 17842 4851 1 7 . 1 1 51 51 GLN CB C 52 28.617 28.617 30.230 -1.613 17842 4852 1 7 . 1 1 51 51 GLN H H 52 7.955 7.955 8.361 -0.406 17842 4853 1 7 . 1 1 52 52 GLY N N 53 110.800 110.800 107.399 3.401 17842 4854 1 7 . 1 1 52 52 GLY C C 53 169.076 169.076 172.568 -3.492 17842 4855 1 7 . 1 1 52 52 GLY CA C 53 45.303 45.303 43.414 1.889 17842 4856 1 7 . 1 1 52 52 GLY H H 53 6.696 6.696 7.685 -0.989 17842 4857 1 7 . 1 1 53 53 ARG N N 54 111.857 111.857 114.826 -2.969 17842 4858 1 7 . 1 1 53 53 ARG C C 54 172.397 172.397 173.693 -1.296 17842 4859 1 7 . 1 1 53 53 ARG CA C 54 54.227 54.227 55.160 -0.933 17842 4860 1 7 . 1 1 53 53 ARG CB C 54 31.755 31.755 32.640 -0.885 17842 4861 1 7 . 1 1 53 53 ARG H H 54 8.216 8.216 8.914 -0.698 17842 4862 1 7 . 1 1 54 54 TYR N N 55 116.379 116.379 115.134 1.245 17842 4863 1 7 . 1 1 54 54 TYR C C 55 175.461 175.461 174.314 1.147 17842 4864 1 7 . 1 1 54 54 TYR CA C 55 55.296 55.296 55.087 0.209 17842 4865 1 7 . 1 1 54 54 TYR CB C 55 41.539 41.539 42.056 -0.517 17842 4866 1 7 . 1 1 54 54 TYR H H 55 8.477 8.477 8.154 0.323 17842 4867 1 7 . 1 1 55 55 TYR N N 56 114.651 114.651 114.281 0.370 17842 4868 1 7 . 1 1 55 55 TYR C C 56 173.431 173.431 173.382 0.049 17842 4869 1 7 . 1 1 55 55 TYR CA C 56 55.886 55.886 57.703 -1.817 17842 4870 1 7 . 1 1 55 55 TYR CB C 56 37.595 37.595 39.201 -1.606 17842 4871 1 7 . 1 1 55 55 TYR H H 56 8.221 8.221 8.540 -0.319 17842 4872 1 7 . 1 1 56 56 ALA N N 57 125.460 125.460 125.329 0.131 17842 4873 1 7 . 1 1 56 56 ALA C C 57 175.737 175.737 176.531 -0.794 17842 4874 1 7 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.206 -1.058 17842 4875 1 7 . 1 1 56 56 ALA CB C 57 20.777 20.777 21.158 -0.381 17842 4876 1 7 . 1 1 56 56 ALA H H 57 9.034 9.034 8.869 0.165 17842 4877 1 7 . 1 1 57 57 THR N N 58 116.923 116.923 113.019 3.904 17842 4878 1 7 . 1 1 57 57 THR C C 58 173.462 173.462 173.635 -0.173 17842 4879 1 7 . 1 1 57 57 THR CA C 58 61.458 61.458 60.040 1.418 17842 4880 1 7 . 1 1 57 57 THR CB C 58 71.683 71.683 70.859 0.824 17842 4881 1 7 . 1 1 57 57 THR H H 58 8.907 8.907 8.585 0.322 17842 4882 1 7 . 1 1 58 58 TYR N N 59 126.784 126.784 126.209 0.575 17842 4883 1 7 . 1 1 58 58 TYR C C 59 173.954 173.954 175.705 -1.751 17842 4884 1 7 . 1 1 58 58 TYR CA C 59 55.682 55.682 55.786 -0.104 17842 4885 1 7 . 1 1 58 58 TYR CB C 59 41.320 41.320 37.307 4.013 17842 4886 1 7 . 1 1 58 58 TYR H H 59 8.974 8.974 7.753 1.221 17842 4887 1 7 . 1 1 59 59 GLU N N 60 124.211 124.211 122.839 1.372 17842 4888 1 7 . 1 1 59 59 GLU C C 60 173.989 173.989 176.296 -2.307 17842 4889 1 7 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.926 -2.002 17842 4890 1 7 . 1 1 59 59 GLU CB C 60 33.742 33.742 32.706 1.036 17842 4891 1 7 . 1 1 59 59 GLU H H 60 8.049 8.049 8.720 -0.671 17842 4892 1 7 . 1 1 60 60 ASN N N 61 118.358 118.358 116.369 1.989 17842 4893 1 7 . 1 1 60 60 ASN C C 61 173.609 173.609 173.848 -0.239 17842 4894 1 7 . 1 1 60 60 ASN CA C 61 52.281 52.281 52.423 -0.143 17842 4895 1 7 . 1 1 60 60 ASN H H 61 8.155 8.155 8.578 -0.423 17842 4896 1 7 . 1 1 61 61 ILE C C 62 174.902 174.902 174.859 0.043 17842 4897 1 7 . 1 1 61 61 ILE CA C 62 60.980 60.980 61.316 -0.336 17842 4898 1 7 . 1 1 61 61 ILE CB C 62 40.772 40.772 38.715 2.057 17842 4899 1 7 . 1 1 62 62 SER N N 63 121.368 121.368 123.592 -2.224 17842 4900 1 7 . 1 1 62 62 SER C C 63 173.027 173.027 174.051 -1.024 17842 4901 1 7 . 1 1 62 62 SER CA C 63 57.295 57.295 57.365 -0.070 17842 4902 1 7 . 1 1 62 62 SER CB C 63 64.306 64.306 62.545 1.761 17842 4903 1 7 . 1 1 62 62 SER H H 63 8.339 8.339 8.910 -0.571 17842 4904 1 7 . 1 1 63 63 ASP N N 64 124.300 124.300 124.998 -0.698 17842 4905 1 7 . 1 1 63 63 ASP C C 64 176.570 176.570 176.514 0.056 17842 4906 1 7 . 1 1 63 63 ASP CA C 64 53.291 53.291 55.192 -1.901 17842 4907 1 7 . 1 1 63 63 ASP CB C 64 42.484 42.484 41.264 1.220 17842 4908 1 7 . 1 1 63 63 ASP H H 64 8.596 8.596 8.363 0.233 17842 4909 1 7 . 1 1 64 64 THR N N 65 116.756 116.756 114.831 1.925 17842 4910 1 7 . 1 1 64 64 THR C C 65 175.975 175.975 174.731 1.244 17842 4911 1 7 . 1 1 64 64 THR CA C 65 61.608 61.608 61.592 0.016 17842 4912 1 7 . 1 1 64 64 THR CB C 65 68.856 68.856 70.683 -1.827 17842 4913 1 7 . 1 1 64 64 THR H H 65 8.581 8.581 8.063 0.518 17842 4914 1 7 . 1 1 65 65 SER N N 66 119.276 119.276 120.224 -0.948 17842 4915 1 7 . 1 1 65 65 SER CA C 66 59.728 59.728 60.133 -0.405 17842 4916 1 7 . 1 1 65 65 SER CB C 66 63.514 63.514 63.437 0.077 17842 4917 1 7 . 1 1 65 65 SER H H 66 8.492 8.492 8.782 -0.290 17842 4918 1 7 . 1 1 66 66 SER C C 67 175.122 175.122 175.488 -0.366 17842 4919 1 7 . 1 1 66 66 SER CA C 67 58.554 58.554 59.586 -1.032 17842 4920 1 7 . 1 1 67 67 GLY N N 68 110.266 110.266 110.588 -0.322 17842 4921 1 7 . 1 1 67 67 GLY C C 68 173.832 173.832 172.929 0.903 17842 4922 1 7 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.196 1.011 17842 4923 1 7 . 1 1 67 67 GLY H H 68 8.184 8.184 7.870 0.314 17842 4924 1 7 . 1 1 68 68 ASN N N 69 118.584 118.584 119.475 -0.891 17842 4925 1 7 . 1 1 68 68 ASN C C 69 174.239 174.239 174.989 -0.750 17842 4926 1 7 . 1 1 68 68 ASN CA C 69 52.730 52.730 53.937 -1.207 17842 4927 1 7 . 1 1 68 68 ASN CB C 69 38.938 38.938 38.704 0.234 17842 4928 1 7 . 1 1 68 68 ASN H H 69 7.972 7.972 7.700 0.272 17842 4929 1 7 . 1 1 72 72 GLN C C 73 173.610 173.610 175.354 -1.744 17842 4930 1 7 . 1 1 72 72 GLN CA C 73 53.449 53.449 55.021 -1.572 17842 4931 1 7 . 1 1 73 73 GLN N N 74 123.659 123.659 118.609 5.050 17842 4932 1 7 . 1 1 73 73 GLN C C 74 173.276 173.276 173.643 -0.367 17842 4933 1 7 . 1 1 73 73 GLN CA C 74 53.544 53.544 55.188 -1.644 17842 4934 1 7 . 1 1 73 73 GLN CB C 74 34.344 34.344 33.378 0.966 17842 4935 1 7 . 1 1 73 73 GLN H H 74 8.697 8.697 8.206 0.491 17842 4936 1 7 . 1 1 74 74 ASN N N 75 118.720 118.720 123.078 -4.358 17842 4937 1 7 . 1 1 74 74 ASN C C 75 173.733 173.733 173.460 0.273 17842 4938 1 7 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.796 -2.527 17842 4939 1 7 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.507 -1.437 17842 4940 1 7 . 1 1 74 74 ASN H H 75 8.295 8.295 8.437 -0.142 17842 4941 1 7 . 1 1 75 75 LEU N N 76 124.353 124.353 127.756 -3.403 17842 4942 1 7 . 1 1 75 75 LEU C C 76 174.267 174.267 174.359 -0.092 17842 4943 1 7 . 1 1 75 75 LEU CA C 76 53.916 53.916 54.245 -0.329 17842 4944 1 7 . 1 1 75 75 LEU CB C 76 44.633 44.633 44.372 0.261 17842 4945 1 7 . 1 1 75 75 LEU H H 76 8.847 8.847 8.527 0.320 17842 4946 1 7 . 1 1 76 76 LEU N N 77 124.437 124.437 125.575 -1.138 17842 4947 1 7 . 1 1 76 76 LEU C C 77 175.188 175.188 175.257 -0.069 17842 4948 1 7 . 1 1 76 76 LEU CA C 77 52.934 52.934 54.174 -1.240 17842 4949 1 7 . 1 1 76 76 LEU CB C 77 45.115 45.115 46.132 -1.017 17842 4950 1 7 . 1 1 76 76 LEU H H 77 9.222 9.222 8.013 1.209 17842 4951 1 7 . 1 1 77 77 GLY N N 78 107.288 107.288 109.903 -2.615 17842 4952 1 7 . 1 1 77 77 GLY C C 78 171.733 171.733 172.638 -0.905 17842 4953 1 7 . 1 1 77 77 GLY CA C 78 44.160 44.160 44.026 0.134 17842 4954 1 7 . 1 1 77 77 GLY H H 78 9.132 9.132 9.005 0.127 17842 4955 1 7 . 1 1 78 78 SER N N 79 117.437 117.437 121.490 -4.053 17842 4956 1 7 . 1 1 78 78 SER C C 79 171.279 171.279 172.566 -1.287 17842 4957 1 7 . 1 1 78 78 SER CA C 79 57.272 57.272 56.077 1.195 17842 4958 1 7 . 1 1 78 78 SER CB C 79 65.596 65.596 65.119 0.477 17842 4959 1 7 . 1 1 78 78 SER H H 79 8.210 8.210 8.184 0.026 17842 4960 1 7 . 1 1 79 79 TYR N N 80 122.901 122.901 128.966 -6.065 17842 4961 1 7 . 1 1 79 79 TYR C C 80 173.757 173.757 173.188 0.569 17842 4962 1 7 . 1 1 79 79 TYR CA C 80 56.243 56.243 56.394 -0.151 17842 4963 1 7 . 1 1 79 79 TYR CB C 80 42.570 42.570 41.499 1.071 17842 4964 1 7 . 1 1 79 79 TYR H H 80 8.092 8.092 9.275 -1.183 17842 4965 1 7 . 1 1 80 80 ASP N N 81 122.808 122.808 125.917 -3.109 17842 4966 1 7 . 1 1 80 80 ASP C C 81 173.607 173.607 173.472 0.135 17842 4967 1 7 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.166 0.499 17842 4968 1 7 . 1 1 80 80 ASP CB C 81 45.787 45.787 44.756 1.031 17842 4969 1 7 . 1 1 80 80 ASP H H 81 8.268 8.268 8.738 -0.470 17842 4970 1 7 . 1 1 81 81 ALA N N 82 121.201 121.201 120.217 0.984 17842 4971 1 7 . 1 1 81 81 ALA C C 82 177.094 177.094 176.441 0.653 17842 4972 1 7 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.724 -0.979 17842 4973 1 7 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.642 0.869 17842 4974 1 7 . 1 1 81 81 ALA H H 82 8.931 8.931 8.138 0.793 17842 4975 1 7 . 1 1 82 82 PHE N N 83 116.305 116.305 122.249 -5.944 17842 4976 1 7 . 1 1 82 82 PHE C C 83 176.299 176.299 173.920 2.379 17842 4977 1 7 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.556 -2.892 17842 4978 1 7 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.282 0.839 17842 4979 1 7 . 1 1 82 82 PHE H H 83 7.404 7.404 7.734 -0.330 17842 4980 1 7 . 1 1 83 83 LEU N N 84 122.208 122.208 120.450 1.758 17842 4981 1 7 . 1 1 83 83 LEU C C 84 173.599 173.599 174.570 -0.971 17842 4982 1 7 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.682 -0.808 17842 4983 1 7 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.286 -0.920 17842 4984 1 7 . 1 1 83 83 LEU H H 84 9.049 9.049 7.902 1.147 17842 4985 1 7 . 1 1 84 84 PRO C C 85 175.877 175.877 176.072 -0.195 17842 4986 1 7 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.193 -0.152 17842 4987 1 7 . 1 1 84 84 PRO CB C 85 31.486 31.486 30.989 0.497 17842 4988 1 7 . 1 1 85 85 ILE N N 86 119.588 119.588 124.363 -4.775 17842 4989 1 7 . 1 1 85 85 ILE C C 86 175.749 175.749 174.819 0.930 17842 4990 1 7 . 1 1 85 85 ILE CA C 86 59.267 59.267 60.816 -1.549 17842 4991 1 7 . 1 1 85 85 ILE CB C 86 39.835 39.835 40.392 -0.557 17842 4992 1 7 . 1 1 85 85 ILE H H 86 8.205 8.205 8.272 -0.067 17842 4993 1 7 . 1 1 86 86 GLY N N 87 112.396 112.396 115.097 -2.701 17842 4994 1 7 . 1 1 86 86 GLY C C 87 174.218 174.218 173.636 0.582 17842 4995 1 7 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.865 -0.173 17842 4996 1 7 . 1 1 86 86 GLY H H 87 8.364 8.364 8.435 -0.071 17842 4997 1 7 . 1 1 87 87 ASP N N 88 122.109 122.109 120.929 1.180 17842 4998 1 7 . 1 1 87 87 ASP C C 88 175.839 175.839 175.591 0.248 17842 4999 1 7 . 1 1 87 87 ASP CA C 88 53.535 53.535 54.392 -0.857 17842 5000 1 7 . 1 1 87 87 ASP CB C 88 41.132 41.132 42.817 -1.685 17842 5001 1 7 . 1 1 87 87 ASP H H 88 8.249 8.249 8.361 -0.112 17842 5002 1 7 . 1 1 88 88 ASN N N 89 116.308 116.308 117.552 -1.244 17842 5003 1 7 . 1 1 88 88 ASN C C 89 175.100 175.100 173.711 1.389 17842 5004 1 7 . 1 1 88 88 ASN CA C 89 53.922 53.922 53.741 0.181 17842 5005 1 7 . 1 1 88 88 ASN CB C 89 38.183 38.183 38.645 -0.462 17842 5006 1 7 . 1 1 88 88 ASN H H 89 8.449 8.449 8.433 0.016 17842 5007 1 7 . 1 1 89 89 ASN N N 90 115.987 115.987 116.682 -0.695 17842 5008 1 7 . 1 1 89 89 ASN C C 90 173.909 173.909 173.219 0.690 17842 5009 1 7 . 1 1 89 89 ASN CA C 90 54.386 54.386 52.972 1.414 17842 5010 1 7 . 1 1 89 89 ASN CB C 90 37.657 37.657 39.132 -1.475 17842 5011 1 7 . 1 1 89 89 ASN H H 90 8.477 8.477 8.175 0.302 17842 5012 1 7 . 1 1 90 90 THR N N 91 116.991 116.991 111.621 5.370 17842 5013 1 7 . 1 1 90 90 THR C C 91 173.763 173.763 173.206 0.557 17842 5014 1 7 . 1 1 90 90 THR CA C 91 62.170 62.170 61.424 0.746 17842 5015 1 7 . 1 1 90 90 THR CB C 91 68.706 68.706 71.745 -3.039 17842 5016 1 7 . 1 1 90 90 THR H H 91 7.600 7.600 7.816 -0.216 17842 5017 1 7 . 1 1 91 91 LYS N N 92 124.349 124.349 126.564 -2.215 17842 5018 1 7 . 1 1 91 91 LYS C C 92 175.815 175.815 176.703 -0.888 17842 5019 1 7 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.236 -0.830 17842 5020 1 7 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.041 1.457 17842 5021 1 7 . 1 1 91 91 LYS H H 92 9.249 9.249 8.637 0.612 17842 5022 1 7 . 1 1 92 92 LEU N N 93 123.462 123.462 128.512 -5.050 17842 5023 1 7 . 1 1 92 92 LEU C C 93 176.260 176.260 176.089 0.171 17842 5024 1 7 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.625 -1.796 17842 5025 1 7 . 1 1 92 92 LEU CB C 93 43.614 43.614 41.751 1.863 17842 5026 1 7 . 1 1 92 92 LEU H H 93 8.650 8.650 8.185 0.465 17842 5027 1 7 . 1 1 93 93 PHE N N 94 119.497 119.497 121.900 -2.403 17842 5028 1 7 . 1 1 93 93 PHE C C 94 173.154 173.154 175.343 -2.189 17842 5029 1 7 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.404 0.733 17842 5030 1 7 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.295 1.798 17842 5031 1 7 . 1 1 93 93 PHE H H 94 8.485 8.485 7.415 1.070 17842 5032 1 7 . 1 1 94 94 GLY N N 95 105.945 105.945 106.928 -0.983 17842 5033 1 7 . 1 1 94 94 GLY C C 95 171.815 171.815 172.647 -0.832 17842 5034 1 7 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.606 -1.224 17842 5035 1 7 . 1 1 94 94 GLY H H 95 8.256 8.256 8.225 0.031 17842 5036 1 7 . 1 1 95 95 GLY N N 96 110.432 110.432 109.938 0.494 17842 5037 1 7 . 1 1 95 95 GLY C C 96 171.826 171.826 172.078 -0.252 17842 5038 1 7 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.909 0.977 17842 5039 1 7 . 1 1 95 95 GLY H H 96 9.005 9.005 8.476 0.529 17842 5040 1 7 . 1 1 96 96 ALA N N 97 117.509 117.509 122.015 -4.506 17842 5041 1 7 . 1 1 96 96 ALA C C 97 176.928 176.928 175.518 1.410 17842 5042 1 7 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.188 -0.787 17842 5043 1 7 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.413 1.012 17842 5044 1 7 . 1 1 96 96 ALA H H 97 8.039 8.039 8.417 -0.378 17842 5045 1 7 . 1 1 97 97 THR N N 98 118.891 118.891 114.954 3.937 17842 5046 1 7 . 1 1 97 97 THR C C 98 172.492 172.492 172.940 -0.448 17842 5047 1 7 . 1 1 97 97 THR CA C 98 61.730 61.730 61.621 0.109 17842 5048 1 7 . 1 1 97 97 THR CB C 98 73.046 73.046 71.944 1.103 17842 5049 1 7 . 1 1 97 97 THR H H 98 8.379 8.379 8.096 0.283 17842 5050 1 7 . 1 1 98 98 LEU N N 99 124.958 124.958 123.033 1.925 17842 5051 1 7 . 1 1 98 98 LEU C C 99 175.753 175.753 175.398 0.355 17842 5052 1 7 . 1 1 98 98 LEU CA C 99 53.474 53.474 55.062 -1.588 17842 5053 1 7 . 1 1 98 98 LEU CB C 99 47.243 47.243 46.169 1.073 17842 5054 1 7 . 1 1 98 98 LEU H H 99 8.880 8.880 8.436 0.444 17842 5055 1 7 . 1 1 99 99 GLY N N 100 106.645 106.645 109.890 -3.245 17842 5056 1 7 . 1 1 99 99 GLY C C 100 169.886 169.886 172.021 -2.135 17842 5057 1 7 . 1 1 99 99 GLY CA C 100 46.631 46.631 44.206 2.425 17842 5058 1 7 . 1 1 99 99 GLY H H 100 8.635 8.635 7.811 0.824 17842 5059 1 7 . 1 1 100 100 LEU N N 101 121.823 121.823 117.490 4.333 17842 5060 1 7 . 1 1 100 100 LEU C C 101 174.876 174.876 175.048 -0.172 17842 5061 1 7 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.924 -1.853 17842 5062 1 7 . 1 1 100 100 LEU CB C 101 46.646 46.646 47.064 -0.418 17842 5063 1 7 . 1 1 100 100 LEU H H 101 9.088 9.088 8.798 0.290 17842 5064 1 7 . 1 1 101 101 VAL N N 102 118.857 118.857 117.301 1.556 17842 5065 1 7 . 1 1 101 101 VAL C C 102 174.015 174.015 174.449 -0.434 17842 5066 1 7 . 1 1 101 101 VAL CA C 102 59.666 59.666 59.975 -0.309 17842 5067 1 7 . 1 1 101 101 VAL CB C 102 35.406 35.406 34.773 0.633 17842 5068 1 7 . 1 1 101 101 VAL H H 102 8.291 8.291 8.234 0.057 17842 5069 1 7 . 1 1 102 102 LYS N N 103 126.552 126.552 123.149 3.403 17842 5070 1 7 . 1 1 102 102 LYS C C 103 174.712 174.712 174.093 0.619 17842 5071 1 7 . 1 1 102 102 LYS CA C 103 54.433 54.433 54.803 -0.370 17842 5072 1 7 . 1 1 102 102 LYS CB C 103 35.733 35.733 36.157 -0.423 17842 5073 1 7 . 1 1 102 102 LYS H H 103 9.141 9.141 8.357 0.784 17842 5074 1 7 . 1 1 103 103 LEU N N 104 129.605 129.605 125.430 4.175 17842 5075 1 7 . 1 1 103 103 LEU C C 104 175.344 175.344 175.751 -0.407 17842 5076 1 7 . 1 1 103 103 LEU CA C 104 53.492 53.492 53.997 -0.505 17842 5077 1 7 . 1 1 103 103 LEU CB C 104 45.004 45.004 42.088 2.916 17842 5078 1 7 . 1 1 103 103 LEU H H 104 8.921 8.921 8.760 0.161 17842 5079 1 7 . 1 1 104 104 GLU C C 105 174.715 174.715 174.783 -0.068 17842 5080 1 7 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.401 -0.775 17842 5081 1 7 . 1 1 104 104 GLU CB C 105 33.055 33.055 33.325 -0.270 17842 5082 1 7 . 1 1 105 105 GLN N N 106 121.991 121.991 119.246 2.745 17842 5083 1 7 . 1 1 105 105 GLN C C 106 175.002 175.002 174.148 0.854 17842 5084 1 7 . 1 1 105 105 GLN CA C 106 54.679 54.679 54.898 -0.219 17842 5085 1 7 . 1 1 105 105 GLN CB C 106 30.252 30.252 31.557 -1.305 17842 5086 1 7 . 1 1 105 105 GLN H H 106 8.532 8.532 8.551 -0.019 17842 5087 1 7 . 1 1 106 106 ASP N N 107 123.884 123.884 118.855 5.029 17842 5088 1 7 . 1 1 106 106 ASP C C 107 176.352 176.352 176.154 0.198 17842 5089 1 7 . 1 1 106 106 ASP CA C 107 54.108 54.108 53.713 0.395 17842 5090 1 7 . 1 1 106 106 ASP CB C 107 41.448 41.448 42.644 -1.196 17842 5091 1 7 . 1 1 106 106 ASP H H 107 8.414 8.414 8.505 -0.091 17842 5092 1 7 . 1 1 107 107 GLY N N 108 110.294 110.294 110.054 0.240 17842 5093 1 7 . 1 1 107 107 GLY C C 108 174.111 174.111 175.010 -0.899 17842 5094 1 7 . 1 1 107 107 GLY CA C 108 44.992 44.992 44.810 0.182 17842 5095 1 7 . 1 1 107 107 GLY H H 108 8.226 8.226 8.521 -0.295 17842 5096 1 7 . 1 1 108 108 LYS N N 109 121.045 121.045 117.940 3.105 17842 5097 1 7 . 1 1 108 108 LYS C C 109 176.988 176.988 175.928 1.060 17842 5098 1 7 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.541 -0.298 17842 5099 1 7 . 1 1 108 108 LYS CB C 109 31.957 31.957 31.772 0.185 17842 5100 1 7 . 1 1 108 108 LYS H H 109 8.130 8.130 8.313 -0.183 17842 5101 1 7 . 1 1 109 109 GLY N N 110 109.975 109.975 107.608 2.367 17842 5102 1 7 . 1 1 109 109 GLY C C 110 173.856 173.856 173.577 0.279 17842 5103 1 7 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.511 0.458 17842 5104 1 7 . 1 1 109 109 GLY H H 110 8.313 8.313 7.880 0.433 17842 5105 1 7 . 1 1 110 110 PHE N N 111 119.873 119.873 120.029 -0.156 17842 5106 1 7 . 1 1 110 110 PHE C C 111 175.195 175.195 174.940 0.255 17842 5107 1 7 . 1 1 110 110 PHE CA C 111 57.334 57.334 56.282 1.052 17842 5108 1 7 . 1 1 110 110 PHE CB C 111 39.311 39.311 40.174 -0.863 17842 5109 1 7 . 1 1 110 110 PHE H H 111 7.848 7.848 7.696 0.152 17842 5110 1 7 . 1 1 111 111 LYS N N 112 122.900 122.900 123.011 -0.111 17842 5111 1 7 . 1 1 111 111 LYS C C 112 175.898 175.898 176.020 -0.122 17842 5112 1 7 . 1 1 111 111 LYS CA C 112 55.928 55.928 55.806 0.123 17842 5113 1 7 . 1 1 111 111 LYS CB C 112 32.741 32.741 35.114 -2.373 17842 5114 1 7 . 1 1 111 111 LYS H H 112 8.073 8.073 8.442 -0.369 17842 5115 1 7 . 1 1 112 112 ARG N N 113 123.302 123.302 121.464 1.838 17842 5116 1 7 . 1 1 112 112 ARG C C 113 175.762 175.762 176.058 -0.296 17842 5117 1 7 . 1 1 112 112 ARG CA C 113 55.877 55.877 57.213 -1.336 17842 5118 1 7 . 1 1 112 112 ARG CB C 113 30.678 30.678 30.717 -0.039 17842 5119 1 7 . 1 1 112 112 ARG H H 113 8.277 8.277 8.533 -0.256 17842 5120 1 7 . 1 1 113 113 ASP N N 114 122.193 122.193 121.039 1.154 17842 5121 1 7 . 1 1 113 113 ASP C C 114 175.875 175.875 174.884 0.991 17842 5122 1 7 . 1 1 113 113 ASP CA C 114 54.219 54.219 55.175 -0.956 17842 5123 1 7 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.026 0.253 17842 5124 1 7 . 1 1 113 113 ASP H H 114 8.300 8.300 8.346 -0.046 17842 5125 1 7 . 1 1 114 114 SER N N 115 114.844 114.844 118.337 -3.493 17842 5126 1 7 . 1 1 114 114 SER C C 115 173.567 173.567 172.765 0.802 17842 5127 1 7 . 1 1 114 114 SER CA C 115 57.538 57.538 57.843 -0.305 17842 5128 1 7 . 1 1 114 114 SER CB C 115 64.306 64.306 65.540 -1.234 17842 5129 1 7 . 1 1 114 114 SER H H 115 8.071 8.071 8.050 0.021 17842 5130 1 7 . 1 1 115 115 ASP N N 116 122.371 122.371 121.056 1.315 17842 5131 1 7 . 1 1 115 115 ASP C C 116 175.096 175.096 174.381 0.715 17842 5132 1 7 . 1 1 115 115 ASP CA C 116 53.960 53.960 55.275 -1.315 17842 5133 1 7 . 1 1 115 115 ASP CB C 116 42.394 42.394 40.271 2.123 17842 5134 1 7 . 1 1 115 115 ASP H H 116 8.400 8.400 8.624 -0.224 17842 5135 1 7 . 1 1 116 116 VAL N N 117 120.462 120.462 121.877 -1.415 17842 5136 1 7 . 1 1 116 116 VAL C C 117 175.349 175.349 174.556 0.793 17842 5137 1 7 . 1 1 116 116 VAL CA C 117 60.785 60.785 62.092 -1.306 17842 5138 1 7 . 1 1 116 116 VAL CB C 117 33.507 33.507 34.233 -0.726 17842 5139 1 7 . 1 1 116 116 VAL H H 117 8.014 8.014 7.914 0.100 17842 5140 1 7 . 1 1 117 117 GLY N N 118 112.807 112.807 113.207 -0.400 17842 5141 1 7 . 1 1 117 117 GLY C C 118 172.079 172.079 172.528 -0.449 17842 5142 1 7 . 1 1 117 117 GLY CA C 118 43.255 43.255 45.341 -2.086 17842 5143 1 7 . 1 1 117 117 GLY H H 118 8.871 8.871 8.015 0.856 17842 5144 1 7 . 1 1 118 118 TYR N N 119 117.704 117.704 125.355 -7.651 17842 5145 1 7 . 1 1 118 118 TYR C C 119 175.024 175.024 173.488 1.536 17842 5146 1 7 . 1 1 118 118 TYR CA C 119 55.968 55.968 57.044 -1.075 17842 5147 1 7 . 1 1 118 118 TYR CB C 119 41.089 41.089 40.073 1.016 17842 5148 1 7 . 1 1 118 118 TYR H H 119 8.406 8.406 8.540 -0.134 17842 5149 1 7 . 1 1 119 119 ALA N N 120 122.050 122.050 129.559 -7.509 17842 5150 1 7 . 1 1 119 119 ALA C C 120 175.218 175.218 175.014 0.204 17842 5151 1 7 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.713 -0.052 17842 5152 1 7 . 1 1 119 119 ALA CB C 120 23.187 23.187 22.287 0.900 17842 5153 1 7 . 1 1 119 119 ALA H H 120 8.605 8.605 7.637 0.968 17842 5154 1 7 . 1 1 120 120 ALA N N 121 119.839 119.839 124.875 -5.036 17842 5155 1 7 . 1 1 120 120 ALA C C 121 175.881 175.881 175.894 -0.013 17842 5156 1 7 . 1 1 120 120 ALA CA C 121 50.340 50.340 51.693 -1.353 17842 5157 1 7 . 1 1 120 120 ALA CB C 121 22.465 22.465 22.029 0.436 17842 5158 1 7 . 1 1 120 120 ALA H H 121 8.476 8.476 7.941 0.535 17842 5159 1 7 . 1 1 121 121 GLY N N 122 107.807 107.807 109.949 -2.142 17842 5160 1 7 . 1 1 121 121 GLY C C 122 171.191 171.191 172.205 -1.014 17842 5161 1 7 . 1 1 121 121 GLY CA C 122 46.065 46.065 46.011 0.053 17842 5162 1 7 . 1 1 121 121 GLY H H 122 8.931 8.931 8.617 0.314 17842 5163 1 7 . 1 1 122 122 LEU N N 123 118.400 118.400 118.876 -0.476 17842 5164 1 7 . 1 1 122 122 LEU C C 123 174.684 174.684 174.665 0.019 17842 5165 1 7 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.268 -1.041 17842 5166 1 7 . 1 1 122 122 LEU CB C 123 48.385 48.385 46.898 1.486 17842 5167 1 7 . 1 1 122 122 LEU H H 123 8.351 8.351 8.966 -0.615 17842 5168 1 7 . 1 1 123 123 GLN N N 124 113.455 113.455 117.365 -3.910 17842 5169 1 7 . 1 1 123 123 GLN C C 124 173.895 173.895 174.158 -0.263 17842 5170 1 7 . 1 1 123 123 GLN CA C 124 54.004 54.004 55.146 -1.142 17842 5171 1 7 . 1 1 123 123 GLN CB C 124 28.135 28.135 34.388 -6.253 17842 5172 1 7 . 1 1 123 123 GLN H H 124 8.159 8.159 8.216 -0.057 17842 5173 1 7 . 1 1 124 124 ALA N N 125 118.711 118.711 120.433 -1.722 17842 5174 1 7 . 1 1 124 124 ALA C C 125 174.962 174.962 174.624 0.338 17842 5175 1 7 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.499 -1.703 17842 5176 1 7 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.475 0.531 17842 5177 1 7 . 1 1 124 124 ALA H H 125 8.638 8.638 8.706 -0.068 17842 5178 1 7 . 1 1 125 125 GLY N N 126 103.783 103.783 107.151 -3.368 17842 5179 1 7 . 1 1 125 125 GLY C C 126 170.390 170.390 171.377 -0.987 17842 5180 1 7 . 1 1 125 125 GLY CA C 126 46.410 46.410 44.825 1.585 17842 5181 1 7 . 1 1 125 125 GLY H H 126 7.103 7.103 6.712 0.391 17842 5182 1 7 . 1 1 126 126 ILE N N 127 118.306 118.306 114.685 3.621 17842 5183 1 7 . 1 1 126 126 ILE C C 127 172.353 172.353 173.978 -1.625 17842 5184 1 7 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.409 -1.816 17842 5185 1 7 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.236 0.928 17842 5186 1 7 . 1 1 126 126 ILE H H 127 8.564 8.564 8.553 0.011 17842 5187 1 7 . 1 1 127 127 LEU N N 128 129.339 129.339 128.575 0.764 17842 5188 1 7 . 1 1 127 127 LEU C C 128 173.613 173.613 175.492 -1.879 17842 5189 1 7 . 1 1 127 127 LEU CA C 128 53.528 53.528 53.579 -0.051 17842 5190 1 7 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.732 3.072 17842 5191 1 7 . 1 1 127 127 LEU H H 128 9.236 9.236 8.452 0.784 17842 5192 1 7 . 1 1 128 128 GLN N N 129 126.801 126.801 126.026 0.775 17842 5193 1 7 . 1 1 128 128 GLN C C 129 175.093 175.093 174.824 0.269 17842 5194 1 7 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.971 -1.777 17842 5195 1 7 . 1 1 128 128 GLN CB C 129 30.947 30.947 29.947 1.000 17842 5196 1 7 . 1 1 128 128 GLN H H 129 9.352 9.352 8.908 0.444 17842 5197 1 7 . 1 1 129 129 GLU N N 130 126.822 126.822 123.537 3.285 17842 5198 1 7 . 1 1 129 129 GLU C C 130 176.651 176.651 175.170 1.481 17842 5199 1 7 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.492 0.689 17842 5200 1 7 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.866 -4.106 17842 5201 1 7 . 1 1 129 129 GLU H H 130 8.518 8.518 8.796 -0.278 17842 5202 1 7 . 1 1 130 130 LEU N N 131 126.031 126.031 126.061 -0.030 17842 5203 1 7 . 1 1 130 130 LEU C C 131 176.044 176.044 176.417 -0.373 17842 5204 1 7 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.519 -0.344 17842 5205 1 7 . 1 1 130 130 LEU CB C 131 43.855 43.855 44.307 -0.452 17842 5206 1 7 . 1 1 130 130 LEU H H 131 8.708 8.708 8.413 0.295 17842 5207 1 7 . 1 1 131 131 SER N N 132 113.049 113.049 112.688 0.361 17842 5208 1 7 . 1 1 131 131 SER C C 132 174.092 174.092 173.564 0.528 17842 5209 1 7 . 1 1 131 131 SER CA C 132 55.993 55.993 57.703 -1.710 17842 5210 1 7 . 1 1 131 131 SER CB C 132 64.945 64.945 63.565 1.380 17842 5211 1 7 . 1 1 131 131 SER H H 132 8.282 8.282 7.684 0.598 17842 5212 1 7 . 1 1 132 132 LYS C C 133 176.346 176.346 175.603 0.743 17842 5213 1 7 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.608 1.889 17842 5214 1 7 . 1 1 132 132 LYS CB C 133 31.009 31.009 31.136 -0.127 17842 5215 1 7 . 1 1 133 133 ASN N N 134 110.795 110.795 116.526 -5.731 17842 5216 1 7 . 1 1 133 133 ASN C C 134 173.897 173.897 173.416 0.481 17842 5217 1 7 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.745 -0.167 17842 5218 1 7 . 1 1 133 133 ASN CB C 134 40.830 40.830 41.405 -0.575 17842 5219 1 7 . 1 1 133 133 ASN H H 134 7.761 7.761 8.118 -0.357 17842 5220 1 7 . 1 1 134 134 ALA N N 135 122.181 122.181 119.982 2.199 17842 5221 1 7 . 1 1 134 134 ALA C C 135 176.250 176.250 174.984 1.266 17842 5222 1 7 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.047 0.110 17842 5223 1 7 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.664 0.469 17842 5224 1 7 . 1 1 134 134 ALA H H 135 7.562 7.562 7.944 -0.382 17842 5225 1 7 . 1 1 135 135 SER N N 136 114.617 114.617 112.283 2.334 17842 5226 1 7 . 1 1 135 135 SER C C 136 172.507 172.507 172.912 -0.405 17842 5227 1 7 . 1 1 135 135 SER CA C 136 56.164 56.164 57.150 -0.986 17842 5228 1 7 . 1 1 135 135 SER CB C 136 66.255 66.255 67.211 -0.956 17842 5229 1 7 . 1 1 135 135 SER H H 136 8.717 8.717 8.268 0.449 17842 5230 1 7 . 1 1 136 136 ILE N N 137 114.495 114.495 121.170 -6.675 17842 5231 1 7 . 1 1 136 136 ILE C C 137 173.136 173.136 174.402 -1.266 17842 5232 1 7 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.658 -2.238 17842 5233 1 7 . 1 1 136 136 ILE CB C 137 42.700 42.700 41.564 1.136 17842 5234 1 7 . 1 1 136 136 ILE H H 137 8.592 8.592 9.009 -0.417 17842 5235 1 7 . 1 1 137 137 GLU N N 138 122.016 122.016 125.536 -3.520 17842 5236 1 7 . 1 1 137 137 GLU C C 138 173.792 173.792 175.418 -1.626 17842 5237 1 7 . 1 1 137 137 GLU CA C 138 53.537 53.537 55.020 -1.484 17842 5238 1 7 . 1 1 137 137 GLU CB C 138 35.118 35.118 33.322 1.796 17842 5239 1 7 . 1 1 137 137 GLU H H 138 8.902 8.902 8.267 0.635 17842 5240 1 7 . 1 1 138 138 GLY N N 139 107.847 107.847 110.761 -2.914 17842 5241 1 7 . 1 1 138 138 GLY C C 139 171.817 171.817 172.298 -0.481 17842 5242 1 7 . 1 1 138 138 GLY CA C 139 44.070 44.070 44.594 -0.524 17842 5243 1 7 . 1 1 138 138 GLY H H 139 8.485 8.485 8.112 0.373 17842 5244 1 7 . 1 1 139 139 GLY N N 140 108.290 108.290 108.890 -0.600 17842 5245 1 7 . 1 1 139 139 GLY C C 140 169.172 169.172 170.983 -1.811 17842 5246 1 7 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.312 0.402 17842 5247 1 7 . 1 1 139 139 GLY H H 140 7.841 7.841 8.091 -0.250 17842 5248 1 7 . 1 1 140 140 TYR N N 141 119.674 119.674 120.092 -0.418 17842 5249 1 7 . 1 1 140 140 TYR C C 141 173.643 173.643 174.279 -0.636 17842 5250 1 7 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.967 -1.788 17842 5251 1 7 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.687 -0.543 17842 5252 1 7 . 1 1 140 140 TYR H H 141 8.726 8.726 8.584 0.142 17842 5253 1 7 . 1 1 141 141 ARG N N 142 125.021 125.021 120.869 4.152 17842 5254 1 7 . 1 1 141 141 ARG C C 142 173.533 173.533 173.961 -0.428 17842 5255 1 7 . 1 1 141 141 ARG CA C 142 53.813 53.813 54.967 -1.154 17842 5256 1 7 . 1 1 141 141 ARG CB C 142 33.239 33.239 33.295 -0.056 17842 5257 1 7 . 1 1 141 141 ARG H H 142 8.502 8.502 9.683 -1.181 17842 5258 1 7 . 1 1 142 142 TYR N N 143 128.805 128.805 126.865 1.940 17842 5259 1 7 . 1 1 142 142 TYR C C 143 173.475 173.475 173.804 -0.329 17842 5260 1 7 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.735 -0.307 17842 5261 1 7 . 1 1 142 142 TYR CB C 143 41.642 41.642 40.780 0.862 17842 5262 1 7 . 1 1 142 142 TYR H H 143 8.978 8.978 9.292 -0.314 17842 5263 1 7 . 1 1 143 143 LEU N N 144 125.513 125.513 121.672 3.841 17842 5264 1 7 . 1 1 143 143 LEU C C 144 175.370 175.370 174.694 0.676 17842 5265 1 7 . 1 1 143 143 LEU CA C 144 52.893 52.893 53.662 -0.769 17842 5266 1 7 . 1 1 143 143 LEU CB C 144 45.924 45.924 46.096 -0.172 17842 5267 1 7 . 1 1 143 143 LEU H H 144 8.117 8.117 7.729 0.388 17842 5268 1 7 . 1 1 144 144 ARG N N 145 122.193 122.193 117.762 4.431 17842 5269 1 7 . 1 1 144 144 ARG C C 145 175.452 175.452 176.105 -0.653 17842 5270 1 7 . 1 1 144 144 ARG CA C 145 54.077 54.077 55.050 -0.973 17842 5271 1 7 . 1 1 144 144 ARG CB C 145 31.377 31.377 32.273 -0.896 17842 5272 1 7 . 1 1 144 144 ARG H H 145 8.810 8.810 8.386 0.424 17842 5273 1 7 . 1 1 145 145 THR C C 146 172.708 172.708 173.130 -0.422 17842 5274 1 7 . 1 1 145 145 THR CA C 146 59.117 59.117 59.339 -0.222 17842 5275 1 7 . 1 1 145 145 THR CB C 146 70.345 70.345 70.874 -0.529 17842 5276 1 7 . 1 1 146 146 ASN N N 147 120.236 120.236 120.764 -0.528 17842 5277 1 7 . 1 1 146 146 ASN C C 147 175.341 175.341 174.738 0.603 17842 5278 1 7 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.751 -1.871 17842 5279 1 7 . 1 1 146 146 ASN CB C 147 38.462 38.462 37.862 0.600 17842 5280 1 7 . 1 1 146 146 ASN H H 147 8.259 8.259 8.650 -0.391 17842 5281 1 7 . 1 1 147 147 ALA N N 148 124.724 124.724 127.771 -3.047 17842 5282 1 7 . 1 1 147 147 ALA C C 148 176.378 176.378 177.136 -0.758 17842 5283 1 7 . 1 1 147 147 ALA CA C 148 52.179 52.179 51.481 0.698 17842 5284 1 7 . 1 1 147 147 ALA CB C 148 18.626 18.626 17.905 0.720 17842 5285 1 7 . 1 1 147 147 ALA H H 148 8.256 8.256 8.236 0.020 17842 5286 1 7 . 1 1 148 148 SER N N 149 115.670 115.670 118.666 -2.996 17842 5287 1 7 . 1 1 148 148 SER C C 149 174.123 174.123 173.934 0.189 17842 5288 1 7 . 1 1 148 148 SER CA C 149 57.281 57.281 59.500 -2.219 17842 5289 1 7 . 1 1 148 148 SER CB C 149 64.685 64.685 63.556 1.129 17842 5290 1 7 . 1 1 148 148 SER H H 149 8.372 8.372 8.649 -0.277 17842 5291 1 7 . 1 1 149 149 THR N N 150 115.292 115.292 112.834 2.458 17842 5292 1 7 . 1 1 149 149 THR C C 150 173.858 173.858 174.306 -0.448 17842 5293 1 7 . 1 1 149 149 THR CA C 150 61.189 61.189 62.359 -1.170 17842 5294 1 7 . 1 1 149 149 THR CB C 150 69.105 69.105 70.291 -1.186 17842 5295 1 7 . 1 1 149 149 THR H H 150 8.228 8.228 8.305 -0.077 17842 5296 1 7 . 1 1 150 150 GLU N N 151 123.244 123.244 120.521 2.723 17842 5297 1 7 . 1 1 150 150 GLU C C 151 176.121 176.121 175.167 0.954 17842 5298 1 7 . 1 1 150 150 GLU CA C 151 56.002 56.002 56.247 -0.245 17842 5299 1 7 . 1 1 150 150 GLU CB C 151 29.931 29.931 31.584 -1.653 17842 5300 1 7 . 1 1 150 150 GLU H H 151 8.186 8.186 8.253 -0.067 17842 5301 1 7 . 1 1 151 151 MET N N 152 121.600 121.600 122.943 -1.343 17842 5302 1 7 . 1 1 151 151 MET C C 152 175.810 175.810 174.576 1.234 17842 5303 1 7 . 1 1 151 151 MET CA C 152 55.254 55.254 55.748 -0.494 17842 5304 1 7 . 1 1 151 151 MET CB C 152 33.247 33.247 32.918 0.329 17842 5305 1 7 . 1 1 151 151 MET H H 152 8.248 8.248 8.470 -0.222 17842 5306 1 7 . 1 1 152 152 THR N N 153 117.486 117.486 117.987 -0.501 17842 5307 1 7 . 1 1 152 152 THR C C 153 172.907 172.907 173.311 -0.404 17842 5308 1 7 . 1 1 152 152 THR CA C 153 59.365 59.365 59.804 -0.439 17842 5309 1 7 . 1 1 152 152 THR CB C 153 69.366 69.366 69.383 -0.017 17842 5310 1 7 . 1 1 152 152 THR H H 153 8.113 8.113 8.273 -0.160 17842 5311 1 7 . 1 1 155 155 GLY C C 156 174.620 174.620 174.543 0.077 17842 5312 1 7 . 1 1 155 155 GLY CA C 156 45.280 45.280 45.050 0.230 17842 5313 1 7 . 1 1 156 156 GLY N N 157 109.059 109.059 109.091 -0.032 17842 5314 1 7 . 1 1 156 156 GLY C C 157 173.801 173.801 173.916 -0.115 17842 5315 1 7 . 1 1 156 156 GLY CA C 157 44.929 44.929 44.502 0.427 17842 5316 1 7 . 1 1 156 156 GLY H H 157 8.175 8.175 8.119 0.056 17842 5317 1 7 . 1 1 157 157 ASN N N 158 118.630 118.630 121.868 -3.238 17842 5318 1 7 . 1 1 157 157 ASN C C 158 175.025 175.025 175.217 -0.192 17842 5319 1 7 . 1 1 157 157 ASN CA C 158 52.791 52.791 52.953 -0.161 17842 5320 1 7 . 1 1 157 157 ASN CB C 158 38.532 38.532 39.369 -0.837 17842 5321 1 7 . 1 1 157 157 ASN H H 158 8.114 8.114 8.646 -0.532 17842 5322 1 7 . 1 1 158 158 LYS N N 159 121.755 121.755 120.260 1.495 17842 5323 1 7 . 1 1 158 158 LYS C C 159 176.361 176.361 175.767 0.594 17842 5324 1 7 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.074 0.398 17842 5325 1 7 . 1 1 158 158 LYS CB C 159 32.403 32.403 32.661 -0.258 17842 5326 1 7 . 1 1 158 158 LYS H H 159 8.169 8.169 8.429 -0.260 17842 5327 1 7 . 1 1 159 159 LEU N N 160 123.084 123.084 117.965 5.119 17842 5328 1 7 . 1 1 159 159 LEU C C 160 177.408 177.408 176.850 0.558 17842 5329 1 7 . 1 1 159 159 LEU CA C 160 55.162 55.162 55.367 -0.205 17842 5330 1 7 . 1 1 159 159 LEU CB C 160 42.690 42.690 44.419 -1.729 17842 5331 1 7 . 1 1 159 159 LEU H H 160 8.173 8.173 8.010 0.163 17842 5332 1 7 . 1 1 160 160 GLY N N 161 109.180 109.180 107.389 1.791 17842 5333 1 7 . 1 1 160 160 GLY C C 161 173.574 173.574 172.480 1.094 17842 5334 1 7 . 1 1 160 160 GLY CA C 161 44.877 44.877 45.285 -0.408 17842 5335 1 7 . 1 1 160 160 GLY H H 161 8.117 8.117 7.769 0.348 17842 5336 1 7 . 1 1 161 161 SER N N 162 115.719 115.719 115.398 0.321 17842 5337 1 7 . 1 1 161 161 SER C C 162 173.715 173.715 174.027 -0.312 17842 5338 1 7 . 1 1 161 161 SER CA C 162 57.965 57.965 57.728 0.237 17842 5339 1 7 . 1 1 161 161 SER CB C 162 63.856 63.856 65.110 -1.254 17842 5340 1 7 . 1 1 161 161 SER H H 162 8.064 8.064 8.294 -0.230 17842 5341 1 7 . 1 1 162 162 LEU N N 163 123.433 123.433 122.729 0.704 17842 5342 1 7 . 1 1 162 162 LEU C C 163 175.609 175.609 175.376 0.233 17842 5343 1 7 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.666 -1.281 17842 5344 1 7 . 1 1 162 162 LEU CB C 163 43.046 43.046 41.990 1.056 17842 5345 1 7 . 1 1 162 162 LEU H H 163 8.282 8.282 8.567 -0.285 17842 5346 1 7 . 1 1 163 163 ASP N N 164 122.223 122.223 118.475 3.748 17842 5347 1 7 . 1 1 163 163 ASP C C 164 175.122 175.122 176.037 -0.915 17842 5348 1 7 . 1 1 163 163 ASP CA C 164 53.400 53.400 54.806 -1.407 17842 5349 1 7 . 1 1 163 163 ASP CB C 164 41.200 41.200 42.041 -0.841 17842 5350 1 7 . 1 1 163 163 ASP H H 164 8.356 8.356 8.309 0.047 17842 5351 1 7 . 1 1 166 166 SER C C 167 172.472 172.472 173.238 -0.766 17842 5352 1 7 . 1 1 166 166 SER CA C 167 56.760 56.760 57.293 -0.533 17842 5353 1 7 . 1 1 167 167 SER N N 168 115.939 115.939 114.874 1.065 17842 5354 1 7 . 1 1 167 167 SER C C 168 173.318 173.318 172.252 1.066 17842 5355 1 7 . 1 1 167 167 SER CA C 168 56.763 56.763 57.700 -0.937 17842 5356 1 7 . 1 1 167 167 SER CB C 168 65.286 65.286 64.572 0.714 17842 5357 1 7 . 1 1 167 167 SER H H 168 8.678 8.678 7.798 0.880 17842 5358 1 7 . 1 1 168 168 SER C C 169 172.500 172.500 174.358 -1.858 17842 5359 1 7 . 1 1 168 168 SER CA C 169 56.569 56.569 57.054 -0.485 17842 5360 1 7 . 1 1 168 168 SER CB C 169 65.738 65.738 64.983 0.756 17842 5361 1 7 . 1 1 169 169 GLN N N 170 122.951 122.951 123.808 -0.857 17842 5362 1 7 . 1 1 169 169 GLN C C 170 174.697 174.697 173.634 1.063 17842 5363 1 7 . 1 1 169 169 GLN CA C 170 54.038 54.038 55.320 -1.282 17842 5364 1 7 . 1 1 169 169 GLN CB C 170 32.383 32.383 33.793 -1.410 17842 5365 1 7 . 1 1 169 169 GLN H H 170 8.745 8.745 8.833 -0.088 17842 5366 1 7 . 1 1 170 170 PHE N N 171 125.628 125.628 123.401 2.227 17842 5367 1 7 . 1 1 170 170 PHE C C 171 174.628 174.628 174.186 0.442 17842 5368 1 7 . 1 1 170 170 PHE CA C 171 56.200 56.200 55.813 0.387 17842 5369 1 7 . 1 1 170 170 PHE CB C 171 41.552 41.552 40.998 0.554 17842 5370 1 7 . 1 1 170 170 PHE H H 171 7.771 7.771 8.510 -0.739 17842 5371 1 7 . 1 1 171 171 TYR N N 172 121.558 121.558 125.907 -4.349 17842 5372 1 7 . 1 1 171 171 TYR C C 172 171.727 171.727 173.709 -1.982 17842 5373 1 7 . 1 1 171 171 TYR CA C 172 56.046 56.046 54.263 1.783 17842 5374 1 7 . 1 1 171 171 TYR CB C 172 42.439 42.439 40.255 2.184 17842 5375 1 7 . 1 1 171 171 TYR H H 172 8.696 8.696 8.865 -0.169 17842 5376 1 7 . 1 1 172 172 LEU N N 173 119.230 119.230 120.181 -0.951 17842 5377 1 7 . 1 1 172 172 LEU C C 173 176.352 176.352 175.614 0.738 17842 5378 1 7 . 1 1 172 172 LEU CA C 173 52.743 52.743 53.513 -0.770 17842 5379 1 7 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.250 0.287 17842 5380 1 7 . 1 1 172 172 LEU H H 173 8.971 8.971 8.884 0.087 17842 5381 1 7 . 1 1 173 173 GLY N N 174 107.248 107.248 107.709 -0.461 17842 5382 1 7 . 1 1 173 173 GLY C C 174 170.680 170.680 172.387 -1.707 17842 5383 1 7 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.100 -1.180 17842 5384 1 7 . 1 1 173 173 GLY H H 174 9.085 9.085 9.213 -0.128 17842 5385 1 7 . 1 1 174 174 ALA N N 175 121.461 121.461 121.709 -0.248 17842 5386 1 7 . 1 1 174 174 ALA C C 175 174.546 174.546 175.048 -0.502 17842 5387 1 7 . 1 1 174 174 ALA CA C 175 50.312 50.312 50.407 -0.095 17842 5388 1 7 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.666 -1.023 17842 5389 1 7 . 1 1 174 174 ALA H H 175 8.575 8.575 8.219 0.356 17842 5390 1 7 . 1 1 175 175 ASN N N 176 117.370 117.370 116.372 0.998 17842 5391 1 7 . 1 1 175 175 ASN C C 176 173.370 173.370 172.989 0.381 17842 5392 1 7 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.578 -1.979 17842 5393 1 7 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.380 -0.423 17842 5394 1 7 . 1 1 175 175 ASN H H 176 8.762 8.762 8.579 0.183 17842 5395 1 7 . 1 1 176 176 TYR N N 177 122.724 122.724 127.105 -4.381 17842 5396 1 7 . 1 1 176 176 TYR C C 177 173.924 173.924 174.266 -0.342 17842 5397 1 7 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.514 -0.076 17842 5398 1 7 . 1 1 176 176 TYR CB C 177 42.401 42.401 40.684 1.717 17842 5399 1 7 . 1 1 176 176 TYR H H 177 9.570 9.570 9.107 0.463 17842 5400 1 7 . 1 1 177 177 LYS N N 178 127.067 127.067 126.065 1.002 17842 5401 1 7 . 1 1 177 177 LYS C C 178 174.336 174.336 174.654 -0.318 17842 5402 1 7 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.044 -0.801 17842 5403 1 7 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.276 0.675 17842 5404 1 7 . 1 1 177 177 LYS H H 178 8.284 8.284 7.467 0.817 17842 5405 1 8 . 1 1 2 2 ASP N N 3 119.767 119.767 121.750 -1.983 17842 5406 1 8 . 1 1 2 2 ASP C C 3 175.809 175.809 175.020 0.789 17842 5407 1 8 . 1 1 2 2 ASP CA C 3 53.303 53.303 53.694 -0.391 17842 5408 1 8 . 1 1 2 2 ASP CB C 3 42.915 42.915 44.416 -1.501 17842 5409 1 8 . 1 1 2 2 ASP H H 3 8.443 8.443 8.927 -0.484 17842 5410 1 8 . 1 1 3 3 ASN N N 4 123.667 123.667 120.099 3.568 17842 5411 1 8 . 1 1 3 3 ASN C C 4 174.736 174.736 174.582 0.154 17842 5412 1 8 . 1 1 3 3 ASN CA C 4 52.911 52.911 52.890 0.021 17842 5413 1 8 . 1 1 3 3 ASN CB C 4 39.160 39.160 40.336 -1.176 17842 5414 1 8 . 1 1 3 3 ASN H H 4 8.923 8.923 8.978 -0.055 17842 5415 1 8 . 1 1 4 4 PHE N N 5 118.447 118.447 120.894 -2.447 17842 5416 1 8 . 1 1 4 4 PHE C C 5 172.331 172.331 173.317 -0.986 17842 5417 1 8 . 1 1 4 4 PHE CA C 5 56.052 56.052 55.252 0.800 17842 5418 1 8 . 1 1 4 4 PHE CB C 5 42.863 42.863 42.934 -0.071 17842 5419 1 8 . 1 1 4 4 PHE H H 5 8.910 8.910 9.167 -0.257 17842 5420 1 8 . 1 1 5 5 VAL N N 6 116.195 116.195 120.769 -4.574 17842 5421 1 8 . 1 1 5 5 VAL C C 6 174.144 174.144 174.450 -0.306 17842 5422 1 8 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.667 -2.138 17842 5423 1 8 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.325 0.493 17842 5424 1 8 . 1 1 5 5 VAL H H 6 8.903 8.903 8.984 -0.081 17842 5425 1 8 . 1 1 6 6 GLY N N 7 110.150 110.150 115.851 -5.701 17842 5426 1 8 . 1 1 6 6 GLY C C 7 170.825 170.825 171.749 -0.924 17842 5427 1 8 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.318 0.900 17842 5428 1 8 . 1 1 6 6 GLY H H 7 8.670 8.670 9.020 -0.350 17842 5429 1 8 . 1 1 7 7 LEU N N 8 120.059 120.059 119.674 0.385 17842 5430 1 8 . 1 1 7 7 LEU C C 8 175.596 175.596 175.471 0.125 17842 5431 1 8 . 1 1 7 7 LEU CA C 8 52.933 52.933 53.907 -0.974 17842 5432 1 8 . 1 1 7 7 LEU CB C 8 47.663 47.663 47.264 0.399 17842 5433 1 8 . 1 1 7 7 LEU H H 8 8.562 8.562 7.873 0.689 17842 5434 1 8 . 1 1 8 8 THR N N 9 112.180 112.180 110.978 1.202 17842 5435 1 8 . 1 1 8 8 THR C C 9 172.942 172.942 172.775 0.167 17842 5436 1 8 . 1 1 8 8 THR CA C 9 59.539 59.539 61.549 -2.010 17842 5437 1 8 . 1 1 8 8 THR CB C 9 70.735 70.735 71.193 -0.458 17842 5438 1 8 . 1 1 8 8 THR H H 9 9.114 9.114 7.997 1.117 17842 5439 1 8 . 1 1 9 9 TRP N N 10 121.476 121.476 125.426 -3.950 17842 5440 1 8 . 1 1 9 9 TRP C C 10 174.622 174.622 174.695 -0.073 17842 5441 1 8 . 1 1 9 9 TRP CA C 10 56.418 56.418 56.198 0.220 17842 5442 1 8 . 1 1 9 9 TRP CB C 10 31.877 31.877 33.324 -1.447 17842 5443 1 8 . 1 1 9 9 TRP H H 10 9.022 9.022 8.481 0.541 17842 5444 1 8 . 1 1 10 10 GLY N N 11 112.750 112.750 113.583 -0.833 17842 5445 1 8 . 1 1 10 10 GLY C C 11 171.655 171.655 172.780 -1.125 17842 5446 1 8 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.882 1.058 17842 5447 1 8 . 1 1 10 10 GLY H H 11 7.798 7.798 8.350 -0.552 17842 5448 1 8 . 1 1 11 11 GLU N N 12 117.292 117.292 125.012 -7.720 17842 5449 1 8 . 1 1 11 11 GLU C C 12 175.810 175.810 175.539 0.271 17842 5450 1 8 . 1 1 11 11 GLU CA C 12 53.743 53.743 56.628 -2.885 17842 5451 1 8 . 1 1 11 11 GLU CB C 12 31.361 31.361 30.317 1.044 17842 5452 1 8 . 1 1 11 11 GLU H H 12 8.223 8.223 8.963 -0.740 17842 5453 1 8 . 1 1 12 12 THR N N 13 123.477 123.477 120.887 2.590 17842 5454 1 8 . 1 1 12 12 THR C C 13 174.233 174.233 174.109 0.124 17842 5455 1 8 . 1 1 12 12 THR CA C 13 61.872 61.872 62.116 -0.244 17842 5456 1 8 . 1 1 12 12 THR CB C 13 69.374 69.374 69.741 -0.367 17842 5457 1 8 . 1 1 12 12 THR H H 13 8.722 8.722 8.200 0.522 17842 5458 1 8 . 1 1 13 13 SER N N 14 122.220 122.220 122.040 0.180 17842 5459 1 8 . 1 1 13 13 SER C C 14 173.577 173.577 173.726 -0.149 17842 5460 1 8 . 1 1 13 13 SER CA C 14 56.934 56.934 58.424 -1.490 17842 5461 1 8 . 1 1 13 13 SER CB C 14 64.249 64.249 64.798 -0.549 17842 5462 1 8 . 1 1 13 13 SER H H 14 9.225 9.225 8.642 0.583 17842 5463 1 8 . 1 1 14 14 ASN N N 15 125.159 125.159 122.327 2.832 17842 5464 1 8 . 1 1 14 14 ASN C C 15 174.673 174.673 175.265 -0.592 17842 5465 1 8 . 1 1 14 14 ASN CA C 15 51.888 51.888 53.517 -1.629 17842 5466 1 8 . 1 1 14 14 ASN CB C 15 39.777 39.777 39.269 0.508 17842 5467 1 8 . 1 1 14 14 ASN H H 15 8.745 8.745 8.592 0.153 17842 5468 1 8 . 1 1 15 15 ASN N N 16 120.330 120.330 119.759 0.571 17842 5469 1 8 . 1 1 15 15 ASN C C 16 175.886 175.886 174.556 1.330 17842 5470 1 8 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.503 -0.723 17842 5471 1 8 . 1 1 15 15 ASN CB C 16 38.595 38.595 39.011 -0.416 17842 5472 1 8 . 1 1 15 15 ASN H H 16 8.494 8.494 8.262 0.232 17842 5473 1 8 . 1 1 20 20 LYS C C 21 176.705 176.705 175.221 1.484 17842 5474 1 8 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.485 0.198 17842 5475 1 8 . 1 1 21 21 SER N N 22 115.966 115.966 120.640 -4.674 17842 5476 1 8 . 1 1 21 21 SER C C 22 174.564 174.564 174.168 0.396 17842 5477 1 8 . 1 1 21 21 SER CA C 22 58.149 58.149 58.239 -0.090 17842 5478 1 8 . 1 1 21 21 SER CB C 22 63.308 63.308 63.367 -0.060 17842 5479 1 8 . 1 1 21 21 SER H H 22 8.053 8.053 8.443 -0.390 17842 5480 1 8 . 1 1 22 22 LEU N N 23 123.751 123.751 124.891 -1.140 17842 5481 1 8 . 1 1 22 22 LEU C C 23 176.968 176.968 175.792 1.176 17842 5482 1 8 . 1 1 22 22 LEU CA C 23 55.269 55.269 53.250 2.019 17842 5483 1 8 . 1 1 22 22 LEU CB C 23 42.334 42.334 42.721 -0.387 17842 5484 1 8 . 1 1 22 22 LEU H H 23 8.006 8.006 8.428 -0.422 17842 5485 1 8 . 1 1 23 23 ASN N N 24 118.937 118.937 119.617 -0.680 17842 5486 1 8 . 1 1 23 23 ASN C C 24 175.119 175.119 174.938 0.181 17842 5487 1 8 . 1 1 23 23 ASN CA C 24 52.993 52.993 52.567 0.426 17842 5488 1 8 . 1 1 23 23 ASN CB C 24 38.255 38.255 39.599 -1.344 17842 5489 1 8 . 1 1 23 23 ASN H H 24 8.136 8.136 8.384 -0.248 17842 5490 1 8 . 1 1 24 24 ARG N N 25 121.500 121.500 121.533 -0.033 17842 5491 1 8 . 1 1 24 24 ARG C C 25 175.849 175.849 175.262 0.587 17842 5492 1 8 . 1 1 24 24 ARG CA C 25 56.368 56.368 55.460 0.908 17842 5493 1 8 . 1 1 24 24 ARG CB C 25 30.366 30.366 31.618 -1.252 17842 5494 1 8 . 1 1 24 24 ARG H H 25 8.097 8.097 8.548 -0.451 17842 5495 1 8 . 1 1 25 25 ASN N N 26 119.196 119.196 116.834 2.362 17842 5496 1 8 . 1 1 25 25 ASN C C 26 175.122 175.122 173.919 1.203 17842 5497 1 8 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.809 -0.748 17842 5498 1 8 . 1 1 25 25 ASN CB C 26 38.291 38.291 38.327 -0.036 17842 5499 1 8 . 1 1 25 25 ASN H H 26 8.278 8.278 8.723 -0.445 17842 5500 1 8 . 1 1 26 26 LEU N N 27 122.352 122.352 120.237 2.115 17842 5501 1 8 . 1 1 26 26 LEU C C 27 176.903 176.903 175.714 1.189 17842 5502 1 8 . 1 1 26 26 LEU CA C 27 55.326 55.326 55.648 -0.322 17842 5503 1 8 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.901 -0.715 17842 5504 1 8 . 1 1 26 26 LEU H H 27 7.992 7.992 7.867 0.125 17842 5505 1 8 . 1 1 27 27 ASN N N 28 118.444 118.444 120.133 -1.689 17842 5506 1 8 . 1 1 27 27 ASN C C 28 174.754 174.754 174.751 0.003 17842 5507 1 8 . 1 1 27 27 ASN CA C 28 52.960 52.960 52.806 0.154 17842 5508 1 8 . 1 1 27 27 ASN CB C 28 38.419 38.419 38.997 -0.578 17842 5509 1 8 . 1 1 27 27 ASN H H 28 8.216 8.216 8.233 -0.017 17842 5510 1 8 . 1 1 28 28 SER N N 29 116.471 116.471 121.414 -4.943 17842 5511 1 8 . 1 1 28 28 SER C C 29 172.778 172.778 173.319 -0.541 17842 5512 1 8 . 1 1 28 28 SER CA C 29 55.982 55.982 55.821 0.161 17842 5513 1 8 . 1 1 28 28 SER CB C 29 63.179 63.179 63.248 -0.069 17842 5514 1 8 . 1 1 28 28 SER H H 29 7.833 7.833 8.498 -0.665 17842 5515 1 8 . 1 1 29 29 PRO C C 30 176.535 176.535 175.781 0.754 17842 5516 1 8 . 1 1 29 29 PRO CA C 30 63.458 63.458 62.903 0.555 17842 5517 1 8 . 1 1 29 29 PRO CB C 30 31.672 31.672 31.114 0.558 17842 5518 1 8 . 1 1 30 30 ASN N N 31 118.189 118.189 122.240 -4.051 17842 5519 1 8 . 1 1 30 30 ASN C C 31 175.075 175.075 174.765 0.310 17842 5520 1 8 . 1 1 30 30 ASN CA C 31 53.051 53.051 52.649 0.402 17842 5521 1 8 . 1 1 30 30 ASN CB C 31 38.277 38.277 40.437 -2.160 17842 5522 1 8 . 1 1 30 30 ASN H H 31 8.231 8.231 8.110 0.121 17842 5523 1 8 . 1 1 31 31 LEU N N 32 122.838 122.838 124.730 -1.892 17842 5524 1 8 . 1 1 31 31 LEU C C 32 176.800 176.800 176.428 0.372 17842 5525 1 8 . 1 1 31 31 LEU CA C 32 55.107 55.107 55.557 -0.450 17842 5526 1 8 . 1 1 31 31 LEU CB C 32 42.291 42.291 40.482 1.809 17842 5527 1 8 . 1 1 31 31 LEU H H 32 8.011 8.011 8.819 -0.808 17842 5528 1 8 . 1 1 32 32 ASP N N 33 120.740 120.740 119.949 0.791 17842 5529 1 8 . 1 1 32 32 ASP C C 33 175.863 175.863 176.574 -0.711 17842 5530 1 8 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.096 0.235 17842 5531 1 8 . 1 1 32 32 ASP CB C 33 40.758 40.758 42.060 -1.302 17842 5532 1 8 . 1 1 32 32 ASP H H 33 8.151 8.151 8.408 -0.257 17842 5533 1 8 . 1 1 33 33 LYS N N 34 120.746 120.746 120.190 0.556 17842 5534 1 8 . 1 1 33 33 LYS C C 34 175.912 175.912 175.121 0.791 17842 5535 1 8 . 1 1 33 33 LYS CA C 34 55.865 55.865 56.014 -0.148 17842 5536 1 8 . 1 1 33 33 LYS CB C 34 32.738 32.738 34.966 -2.228 17842 5537 1 8 . 1 1 33 33 LYS H H 34 7.933 7.933 8.023 -0.090 17842 5538 1 8 . 1 1 34 34 VAL N N 35 121.590 121.590 122.621 -1.031 17842 5539 1 8 . 1 1 34 34 VAL C C 35 175.691 175.691 176.895 -1.204 17842 5540 1 8 . 1 1 34 34 VAL CA C 35 62.186 62.186 62.572 -0.386 17842 5541 1 8 . 1 1 34 34 VAL CB C 35 32.591 32.591 32.730 -0.140 17842 5542 1 8 . 1 1 34 34 VAL H H 35 7.995 7.995 8.081 -0.086 17842 5543 1 8 . 1 1 35 35 ILE N N 36 124.025 124.025 117.353 6.672 17842 5544 1 8 . 1 1 35 35 ILE C C 36 175.266 175.266 175.944 -0.678 17842 5545 1 8 . 1 1 35 35 ILE CA C 36 60.495 60.495 63.625 -3.130 17842 5546 1 8 . 1 1 35 35 ILE CB C 36 38.489 38.489 37.717 0.772 17842 5547 1 8 . 1 1 35 35 ILE H H 36 8.034 8.034 8.196 -0.162 17842 5548 1 8 . 1 1 36 36 ASP N N 37 125.860 125.860 118.154 7.706 17842 5549 1 8 . 1 1 36 36 ASP C C 37 175.014 175.014 174.623 0.391 17842 5550 1 8 . 1 1 36 36 ASP CA C 37 53.719 53.719 53.898 -0.179 17842 5551 1 8 . 1 1 36 36 ASP CB C 37 41.755 41.755 42.975 -1.220 17842 5552 1 8 . 1 1 36 36 ASP H H 37 8.190 8.190 8.391 -0.201 17842 5553 1 8 . 1 1 37 37 ASN N N 38 120.770 120.770 119.046 1.724 17842 5554 1 8 . 1 1 37 37 ASN C C 38 174.821 174.821 174.314 0.507 17842 5555 1 8 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.663 -0.506 17842 5556 1 8 . 1 1 37 37 ASN CB C 38 38.663 38.663 40.998 -2.335 17842 5557 1 8 . 1 1 37 37 ASN H H 38 8.334 8.334 8.700 -0.366 17842 5558 1 8 . 1 1 38 38 THR N N 39 115.976 115.976 111.623 4.353 17842 5559 1 8 . 1 1 38 38 THR C C 39 175.226 175.226 173.353 1.873 17842 5560 1 8 . 1 1 38 38 THR CA C 39 62.215 62.215 61.083 1.132 17842 5561 1 8 . 1 1 38 38 THR CB C 39 69.618 69.618 71.371 -1.753 17842 5562 1 8 . 1 1 38 38 THR H H 39 8.508 8.508 7.808 0.700 17842 5563 1 8 . 1 1 39 39 GLY N N 40 115.818 115.818 109.579 6.239 17842 5564 1 8 . 1 1 39 39 GLY C C 40 172.862 172.862 172.597 0.265 17842 5565 1 8 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.371 0.797 17842 5566 1 8 . 1 1 39 39 GLY H H 40 8.819 8.819 8.041 0.778 17842 5567 1 8 . 1 1 40 40 THR N N 41 119.787 119.787 113.260 6.527 17842 5568 1 8 . 1 1 40 40 THR C C 41 172.914 172.914 173.113 -0.199 17842 5569 1 8 . 1 1 40 40 THR CA C 41 61.321 61.321 60.363 0.958 17842 5570 1 8 . 1 1 40 40 THR CB C 41 71.499 71.499 71.235 0.264 17842 5571 1 8 . 1 1 40 40 THR H H 41 8.117 8.117 8.303 -0.186 17842 5572 1 8 . 1 1 41 41 TRP N N 42 128.090 128.090 127.357 0.733 17842 5573 1 8 . 1 1 41 41 TRP C C 42 174.627 174.627 174.420 0.207 17842 5574 1 8 . 1 1 41 41 TRP CA C 42 55.122 55.122 56.802 -1.680 17842 5575 1 8 . 1 1 41 41 TRP CB C 42 31.905 31.905 32.994 -1.089 17842 5576 1 8 . 1 1 41 41 TRP H H 42 8.178 8.178 8.078 0.100 17842 5577 1 8 . 1 1 42 42 GLY N N 43 109.883 109.883 111.422 -1.539 17842 5578 1 8 . 1 1 42 42 GLY C C 43 172.317 172.317 171.651 0.666 17842 5579 1 8 . 1 1 42 42 GLY CA C 43 44.176 44.176 45.004 -0.828 17842 5580 1 8 . 1 1 42 42 GLY H H 43 8.892 8.892 7.311 1.581 17842 5581 1 8 . 1 1 43 43 ILE N N 44 118.005 118.005 119.534 -1.529 17842 5582 1 8 . 1 1 43 43 ILE C C 44 173.071 173.071 174.376 -1.305 17842 5583 1 8 . 1 1 43 43 ILE CA C 44 58.606 58.606 60.259 -1.653 17842 5584 1 8 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.931 0.199 17842 5585 1 8 . 1 1 43 43 ILE H H 44 8.879 8.879 7.661 1.218 17842 5586 1 8 . 1 1 44 44 ARG N N 45 120.855 120.855 121.520 -0.665 17842 5587 1 8 . 1 1 44 44 ARG C C 45 174.942 174.942 174.216 0.726 17842 5588 1 8 . 1 1 44 44 ARG CA C 45 52.889 52.889 53.852 -0.964 17842 5589 1 8 . 1 1 44 44 ARG CB C 45 33.952 33.952 35.069 -1.117 17842 5590 1 8 . 1 1 44 44 ARG H H 45 8.708 8.708 9.073 -0.365 17842 5591 1 8 . 1 1 45 45 ALA N N 46 119.127 119.127 125.695 -6.568 17842 5592 1 8 . 1 1 45 45 ALA C C 46 175.693 175.693 174.735 0.958 17842 5593 1 8 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.162 -1.542 17842 5594 1 8 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.437 0.345 17842 5595 1 8 . 1 1 45 45 ALA H H 46 8.419 8.419 8.232 0.187 17842 5596 1 8 . 1 1 46 46 GLY N N 47 107.350 107.350 108.840 -1.490 17842 5597 1 8 . 1 1 46 46 GLY C C 47 171.353 171.353 171.143 0.210 17842 5598 1 8 . 1 1 46 46 GLY CA C 47 45.630 45.630 44.547 1.083 17842 5599 1 8 . 1 1 46 46 GLY H H 47 7.819 7.819 7.915 -0.096 17842 5600 1 8 . 1 1 47 47 GLN N N 48 118.061 118.061 118.791 -0.730 17842 5601 1 8 . 1 1 47 47 GLN C C 48 173.671 173.671 174.867 -1.196 17842 5602 1 8 . 1 1 47 47 GLN CA C 48 54.365 54.365 55.180 -0.815 17842 5603 1 8 . 1 1 47 47 GLN CB C 48 32.912 32.912 32.224 0.688 17842 5604 1 8 . 1 1 47 47 GLN H H 48 8.483 8.483 8.545 -0.062 17842 5605 1 8 . 1 1 48 48 GLN N N 49 122.691 122.691 126.484 -3.793 17842 5606 1 8 . 1 1 48 48 GLN C C 49 173.291 173.291 174.746 -1.455 17842 5607 1 8 . 1 1 48 48 GLN CA C 49 54.593 54.593 55.147 -0.554 17842 5608 1 8 . 1 1 48 48 GLN CB C 49 30.750 30.750 30.736 0.014 17842 5609 1 8 . 1 1 48 48 GLN H H 49 9.319 9.319 9.644 -0.325 17842 5610 1 8 . 1 1 49 49 PHE N N 50 126.379 126.379 124.529 1.850 17842 5611 1 8 . 1 1 49 49 PHE C C 50 175.918 175.918 176.189 -0.271 17842 5612 1 8 . 1 1 49 49 PHE CA C 50 55.013 55.013 55.298 -0.285 17842 5613 1 8 . 1 1 49 49 PHE CB C 50 39.974 39.974 40.235 -0.261 17842 5614 1 8 . 1 1 49 49 PHE H H 50 8.781 8.781 8.540 0.241 17842 5615 1 8 . 1 1 50 50 GLU N N 51 121.087 121.087 119.852 1.235 17842 5616 1 8 . 1 1 50 50 GLU C C 51 178.452 178.452 177.335 1.117 17842 5617 1 8 . 1 1 50 50 GLU CA C 51 60.435 60.435 58.895 1.540 17842 5618 1 8 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.204 -0.518 17842 5619 1 8 . 1 1 50 50 GLU H H 51 8.975 8.975 9.162 -0.187 17842 5620 1 8 . 1 1 51 51 GLN N N 52 111.198 111.198 117.113 -5.915 17842 5621 1 8 . 1 1 51 51 GLN C C 52 176.031 176.031 174.783 1.248 17842 5622 1 8 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.168 0.668 17842 5623 1 8 . 1 1 51 51 GLN CB C 52 28.617 28.617 29.170 -0.553 17842 5624 1 8 . 1 1 51 51 GLN H H 52 7.955 7.955 8.368 -0.413 17842 5625 1 8 . 1 1 52 52 GLY N N 53 110.800 110.800 106.039 4.761 17842 5626 1 8 . 1 1 52 52 GLY C C 53 169.076 169.076 170.665 -1.589 17842 5627 1 8 . 1 1 52 52 GLY CA C 53 45.303 45.303 44.420 0.883 17842 5628 1 8 . 1 1 52 52 GLY H H 53 6.696 6.696 7.608 -0.912 17842 5629 1 8 . 1 1 53 53 ARG N N 54 111.857 111.857 120.067 -8.210 17842 5630 1 8 . 1 1 53 53 ARG C C 54 172.397 172.397 173.510 -1.113 17842 5631 1 8 . 1 1 53 53 ARG CA C 54 54.227 54.227 53.845 0.382 17842 5632 1 8 . 1 1 53 53 ARG CB C 54 31.755 31.755 35.022 -3.267 17842 5633 1 8 . 1 1 53 53 ARG H H 54 8.216 8.216 7.969 0.247 17842 5634 1 8 . 1 1 54 54 TYR N N 55 116.379 116.379 124.575 -8.196 17842 5635 1 8 . 1 1 54 54 TYR C C 55 175.461 175.461 174.485 0.976 17842 5636 1 8 . 1 1 54 54 TYR CA C 55 55.296 55.296 55.746 -0.450 17842 5637 1 8 . 1 1 54 54 TYR CB C 55 41.539 41.539 43.399 -1.860 17842 5638 1 8 . 1 1 54 54 TYR H H 55 8.477 8.477 9.372 -0.895 17842 5639 1 8 . 1 1 55 55 TYR N N 56 114.651 114.651 117.158 -2.507 17842 5640 1 8 . 1 1 55 55 TYR C C 56 173.431 173.431 172.482 0.949 17842 5641 1 8 . 1 1 55 55 TYR CA C 56 55.886 55.886 56.851 -0.965 17842 5642 1 8 . 1 1 55 55 TYR CB C 56 37.595 37.595 38.967 -1.372 17842 5643 1 8 . 1 1 55 55 TYR H H 56 8.221 8.221 7.247 0.974 17842 5644 1 8 . 1 1 56 56 ALA N N 57 125.460 125.460 126.178 -0.718 17842 5645 1 8 . 1 1 56 56 ALA C C 57 175.737 175.737 176.436 -0.699 17842 5646 1 8 . 1 1 56 56 ALA CA C 57 49.148 49.148 49.988 -0.840 17842 5647 1 8 . 1 1 56 56 ALA CB C 57 20.777 20.777 20.841 -0.064 17842 5648 1 8 . 1 1 56 56 ALA H H 57 9.034 9.034 8.461 0.573 17842 5649 1 8 . 1 1 57 57 THR N N 58 116.923 116.923 120.344 -3.421 17842 5650 1 8 . 1 1 57 57 THR C C 58 173.462 173.462 173.380 0.082 17842 5651 1 8 . 1 1 57 57 THR CA C 58 61.458 61.458 61.189 0.269 17842 5652 1 8 . 1 1 57 57 THR CB C 58 71.683 71.683 70.515 1.168 17842 5653 1 8 . 1 1 57 57 THR H H 58 8.907 8.907 8.413 0.494 17842 5654 1 8 . 1 1 58 58 TYR N N 59 126.784 126.784 127.675 -0.891 17842 5655 1 8 . 1 1 58 58 TYR C C 59 173.954 173.954 175.124 -1.170 17842 5656 1 8 . 1 1 58 58 TYR CA C 59 55.682 55.682 57.765 -2.083 17842 5657 1 8 . 1 1 58 58 TYR CB C 59 41.320 41.320 39.305 2.015 17842 5658 1 8 . 1 1 58 58 TYR H H 59 8.974 8.974 8.243 0.731 17842 5659 1 8 . 1 1 59 59 GLU N N 60 124.211 124.211 123.891 0.320 17842 5660 1 8 . 1 1 59 59 GLU C C 60 173.989 173.989 175.367 -1.378 17842 5661 1 8 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.008 -1.083 17842 5662 1 8 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.902 -0.160 17842 5663 1 8 . 1 1 59 59 GLU H H 60 8.049 8.049 8.197 -0.148 17842 5664 1 8 . 1 1 60 60 ASN N N 61 118.358 118.358 116.333 2.025 17842 5665 1 8 . 1 1 60 60 ASN C C 61 173.609 173.609 173.929 -0.320 17842 5666 1 8 . 1 1 60 60 ASN CA C 61 52.281 52.281 52.694 -0.413 17842 5667 1 8 . 1 1 60 60 ASN H H 61 8.155 8.155 8.340 -0.185 17842 5668 1 8 . 1 1 61 61 ILE C C 62 174.902 174.902 175.948 -1.046 17842 5669 1 8 . 1 1 61 61 ILE CA C 62 60.980 60.980 61.293 -0.313 17842 5670 1 8 . 1 1 61 61 ILE CB C 62 40.772 40.772 37.739 3.033 17842 5671 1 8 . 1 1 62 62 SER N N 63 121.368 121.368 122.136 -0.768 17842 5672 1 8 . 1 1 62 62 SER C C 63 173.027 173.027 174.092 -1.065 17842 5673 1 8 . 1 1 62 62 SER CA C 63 57.295 57.295 59.450 -2.155 17842 5674 1 8 . 1 1 62 62 SER CB C 63 64.306 64.306 63.762 0.544 17842 5675 1 8 . 1 1 62 62 SER H H 63 8.339 8.339 8.735 -0.396 17842 5676 1 8 . 1 1 63 63 ASP N N 64 124.300 124.300 120.633 3.667 17842 5677 1 8 . 1 1 63 63 ASP C C 64 176.570 176.570 175.061 1.509 17842 5678 1 8 . 1 1 63 63 ASP CA C 64 53.291 53.291 54.093 -0.802 17842 5679 1 8 . 1 1 63 63 ASP CB C 64 42.484 42.484 42.476 0.008 17842 5680 1 8 . 1 1 63 63 ASP H H 64 8.596 8.596 8.099 0.497 17842 5681 1 8 . 1 1 64 64 THR N N 65 116.756 116.756 115.745 1.011 17842 5682 1 8 . 1 1 64 64 THR C C 65 175.975 175.975 175.176 0.799 17842 5683 1 8 . 1 1 64 64 THR CA C 65 61.608 61.608 61.118 0.490 17842 5684 1 8 . 1 1 64 64 THR CB C 65 68.856 68.856 69.852 -0.996 17842 5685 1 8 . 1 1 64 64 THR H H 65 8.581 8.581 8.367 0.214 17842 5686 1 8 . 1 1 65 65 SER N N 66 119.276 119.276 122.866 -3.590 17842 5687 1 8 . 1 1 65 65 SER CA C 66 59.728 59.728 59.806 -0.078 17842 5688 1 8 . 1 1 65 65 SER CB C 66 63.514 63.514 63.237 0.277 17842 5689 1 8 . 1 1 65 65 SER H H 66 8.492 8.492 8.880 -0.388 17842 5690 1 8 . 1 1 66 66 SER C C 67 175.122 175.122 175.192 -0.070 17842 5691 1 8 . 1 1 66 66 SER CA C 67 58.554 58.554 59.390 -0.836 17842 5692 1 8 . 1 1 67 67 GLY N N 68 110.266 110.266 110.152 0.114 17842 5693 1 8 . 1 1 67 67 GLY C C 68 173.832 173.832 174.360 -0.528 17842 5694 1 8 . 1 1 67 67 GLY CA C 68 45.207 45.207 45.726 -0.519 17842 5695 1 8 . 1 1 67 67 GLY H H 68 8.184 8.184 7.890 0.294 17842 5696 1 8 . 1 1 68 68 ASN N N 69 118.584 118.584 118.437 0.147 17842 5697 1 8 . 1 1 68 68 ASN C C 69 174.239 174.239 175.180 -0.941 17842 5698 1 8 . 1 1 68 68 ASN CA C 69 52.730 52.730 51.887 0.843 17842 5699 1 8 . 1 1 68 68 ASN CB C 69 38.938 38.938 40.032 -1.094 17842 5700 1 8 . 1 1 68 68 ASN H H 69 7.972 7.972 8.146 -0.174 17842 5701 1 8 . 1 1 72 72 GLN C C 73 173.610 173.610 174.609 -0.999 17842 5702 1 8 . 1 1 72 72 GLN CA C 73 53.449 53.449 54.722 -1.273 17842 5703 1 8 . 1 1 73 73 GLN N N 74 123.659 123.659 118.488 5.171 17842 5704 1 8 . 1 1 73 73 GLN C C 74 173.276 173.276 174.388 -1.112 17842 5705 1 8 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.815 -1.271 17842 5706 1 8 . 1 1 73 73 GLN CB C 74 34.344 34.344 33.124 1.220 17842 5707 1 8 . 1 1 73 73 GLN H H 74 8.697 8.697 8.047 0.650 17842 5708 1 8 . 1 1 74 74 ASN N N 75 118.720 118.720 122.146 -3.426 17842 5709 1 8 . 1 1 74 74 ASN C C 75 173.733 173.733 173.892 -0.159 17842 5710 1 8 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.717 -2.448 17842 5711 1 8 . 1 1 74 74 ASN CB C 75 40.070 40.070 40.243 -0.173 17842 5712 1 8 . 1 1 74 74 ASN H H 75 8.295 8.295 8.510 -0.215 17842 5713 1 8 . 1 1 75 75 LEU N N 76 124.353 124.353 126.744 -2.391 17842 5714 1 8 . 1 1 75 75 LEU C C 76 174.267 174.267 174.150 0.117 17842 5715 1 8 . 1 1 75 75 LEU CA C 76 53.916 53.916 54.168 -0.252 17842 5716 1 8 . 1 1 75 75 LEU CB C 76 44.633 44.633 43.787 0.846 17842 5717 1 8 . 1 1 75 75 LEU H H 76 8.847 8.847 8.813 0.034 17842 5718 1 8 . 1 1 76 76 LEU N N 77 124.437 124.437 129.228 -4.791 17842 5719 1 8 . 1 1 76 76 LEU C C 77 175.188 175.188 175.121 0.067 17842 5720 1 8 . 1 1 76 76 LEU CA C 77 52.934 52.934 52.938 -0.004 17842 5721 1 8 . 1 1 76 76 LEU CB C 77 45.115 45.115 45.344 -0.229 17842 5722 1 8 . 1 1 76 76 LEU H H 77 9.222 9.222 7.844 1.378 17842 5723 1 8 . 1 1 77 77 GLY N N 78 107.288 107.288 113.287 -5.999 17842 5724 1 8 . 1 1 77 77 GLY C C 78 171.733 171.733 172.402 -0.669 17842 5725 1 8 . 1 1 77 77 GLY CA C 78 44.160 44.160 44.051 0.109 17842 5726 1 8 . 1 1 77 77 GLY H H 78 9.132 9.132 8.864 0.268 17842 5727 1 8 . 1 1 78 78 SER N N 79 117.437 117.437 119.815 -2.378 17842 5728 1 8 . 1 1 78 78 SER C C 79 171.279 171.279 171.967 -0.688 17842 5729 1 8 . 1 1 78 78 SER CA C 79 57.272 57.272 57.342 -0.070 17842 5730 1 8 . 1 1 78 78 SER CB C 79 65.596 65.596 66.118 -0.522 17842 5731 1 8 . 1 1 78 78 SER H H 79 8.210 8.210 7.223 0.987 17842 5732 1 8 . 1 1 79 79 TYR N N 80 122.901 122.901 126.198 -3.297 17842 5733 1 8 . 1 1 79 79 TYR C C 80 173.757 173.757 173.327 0.430 17842 5734 1 8 . 1 1 79 79 TYR CA C 80 56.243 56.243 56.819 -0.576 17842 5735 1 8 . 1 1 79 79 TYR CB C 80 42.570 42.570 41.480 1.091 17842 5736 1 8 . 1 1 79 79 TYR H H 80 8.092 8.092 8.160 -0.068 17842 5737 1 8 . 1 1 80 80 ASP N N 81 122.808 122.808 127.204 -4.396 17842 5738 1 8 . 1 1 80 80 ASP C C 81 173.607 173.607 173.758 -0.151 17842 5739 1 8 . 1 1 80 80 ASP CA C 81 52.665 52.665 53.015 -0.350 17842 5740 1 8 . 1 1 80 80 ASP CB C 81 45.787 45.787 46.079 -0.292 17842 5741 1 8 . 1 1 80 80 ASP H H 81 8.268 8.268 8.455 -0.187 17842 5742 1 8 . 1 1 81 81 ALA N N 82 121.201 121.201 122.100 -0.899 17842 5743 1 8 . 1 1 81 81 ALA C C 82 177.094 177.094 176.086 1.008 17842 5744 1 8 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.558 -0.813 17842 5745 1 8 . 1 1 81 81 ALA CB C 82 21.511 21.511 21.504 0.007 17842 5746 1 8 . 1 1 81 81 ALA H H 82 8.931 8.931 8.883 0.048 17842 5747 1 8 . 1 1 82 82 PHE N N 83 116.305 116.305 121.063 -4.758 17842 5748 1 8 . 1 1 82 82 PHE C C 83 176.299 176.299 174.043 2.256 17842 5749 1 8 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.291 -2.627 17842 5750 1 8 . 1 1 82 82 PHE CB C 83 42.121 42.121 39.723 2.398 17842 5751 1 8 . 1 1 82 82 PHE H H 83 7.404 7.404 8.032 -0.628 17842 5752 1 8 . 1 1 83 83 LEU N N 84 122.208 122.208 119.387 2.821 17842 5753 1 8 . 1 1 83 83 LEU C C 84 173.599 173.599 174.452 -0.853 17842 5754 1 8 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.057 -0.183 17842 5755 1 8 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.479 -1.113 17842 5756 1 8 . 1 1 83 83 LEU H H 84 9.049 9.049 7.549 1.500 17842 5757 1 8 . 1 1 84 84 PRO C C 85 175.877 175.877 175.650 0.227 17842 5758 1 8 . 1 1 84 84 PRO CA C 85 63.041 63.041 62.809 0.232 17842 5759 1 8 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.120 0.366 17842 5760 1 8 . 1 1 85 85 ILE N N 86 119.588 119.588 127.513 -7.925 17842 5761 1 8 . 1 1 85 85 ILE C C 86 175.749 175.749 175.684 0.065 17842 5762 1 8 . 1 1 85 85 ILE CA C 86 59.267 59.267 59.609 -0.342 17842 5763 1 8 . 1 1 85 85 ILE CB C 86 39.835 39.835 36.595 3.240 17842 5764 1 8 . 1 1 85 85 ILE H H 86 8.205 8.205 7.873 0.332 17842 5765 1 8 . 1 1 86 86 GLY N N 87 112.396 112.396 117.371 -4.975 17842 5766 1 8 . 1 1 86 86 GLY C C 87 174.218 174.218 173.516 0.702 17842 5767 1 8 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.286 0.406 17842 5768 1 8 . 1 1 86 86 GLY H H 87 8.364 8.364 8.643 -0.279 17842 5769 1 8 . 1 1 87 87 ASP N N 88 122.109 122.109 122.418 -0.309 17842 5770 1 8 . 1 1 87 87 ASP C C 88 175.839 175.839 175.744 0.095 17842 5771 1 8 . 1 1 87 87 ASP CA C 88 53.535 53.535 54.566 -1.031 17842 5772 1 8 . 1 1 87 87 ASP CB C 88 41.132 41.132 40.789 0.343 17842 5773 1 8 . 1 1 87 87 ASP H H 88 8.249 8.249 8.282 -0.033 17842 5774 1 8 . 1 1 88 88 ASN N N 89 116.308 116.308 115.999 0.309 17842 5775 1 8 . 1 1 88 88 ASN C C 89 175.100 175.100 174.633 0.467 17842 5776 1 8 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.673 -0.751 17842 5777 1 8 . 1 1 88 88 ASN CB C 89 38.183 38.183 37.788 0.395 17842 5778 1 8 . 1 1 88 88 ASN H H 89 8.449 8.449 8.834 -0.385 17842 5779 1 8 . 1 1 89 89 ASN N N 90 115.987 115.987 115.045 0.942 17842 5780 1 8 . 1 1 89 89 ASN C C 90 173.909 173.909 174.566 -0.657 17842 5781 1 8 . 1 1 89 89 ASN CA C 90 54.386 54.386 53.871 0.515 17842 5782 1 8 . 1 1 89 89 ASN CB C 90 37.657 37.657 40.469 -2.812 17842 5783 1 8 . 1 1 89 89 ASN H H 90 8.477 8.477 8.557 -0.080 17842 5784 1 8 . 1 1 90 90 THR N N 91 116.991 116.991 111.197 5.794 17842 5785 1 8 . 1 1 90 90 THR C C 91 173.763 173.763 172.648 1.115 17842 5786 1 8 . 1 1 90 90 THR CA C 91 62.170 62.170 60.874 1.296 17842 5787 1 8 . 1 1 90 90 THR CB C 91 68.706 68.706 71.364 -2.658 17842 5788 1 8 . 1 1 90 90 THR H H 91 7.600 7.600 7.496 0.104 17842 5789 1 8 . 1 1 91 91 LYS N N 92 124.349 124.349 124.228 0.121 17842 5790 1 8 . 1 1 91 91 LYS C C 92 175.815 175.815 176.540 -0.725 17842 5791 1 8 . 1 1 91 91 LYS CA C 92 54.406 54.406 54.534 -0.128 17842 5792 1 8 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.339 1.159 17842 5793 1 8 . 1 1 91 91 LYS H H 92 9.249 9.249 8.559 0.690 17842 5794 1 8 . 1 1 92 92 LEU N N 93 123.462 123.462 128.578 -5.116 17842 5795 1 8 . 1 1 92 92 LEU C C 93 176.260 176.260 174.936 1.324 17842 5796 1 8 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.308 -1.479 17842 5797 1 8 . 1 1 92 92 LEU CB C 93 43.614 43.614 42.002 1.611 17842 5798 1 8 . 1 1 92 92 LEU H H 93 8.650 8.650 8.183 0.467 17842 5799 1 8 . 1 1 93 93 PHE N N 94 119.497 119.497 127.880 -8.383 17842 5800 1 8 . 1 1 93 93 PHE C C 94 173.154 173.154 175.664 -2.510 17842 5801 1 8 . 1 1 93 93 PHE CA C 94 55.136 55.136 55.564 -0.428 17842 5802 1 8 . 1 1 93 93 PHE CB C 94 44.093 44.093 43.029 1.064 17842 5803 1 8 . 1 1 93 93 PHE H H 94 8.485 8.485 7.964 0.521 17842 5804 1 8 . 1 1 94 94 GLY N N 95 105.945 105.945 109.726 -3.781 17842 5805 1 8 . 1 1 94 94 GLY C C 95 171.815 171.815 172.427 -0.612 17842 5806 1 8 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.188 -0.806 17842 5807 1 8 . 1 1 94 94 GLY H H 95 8.256 8.256 8.655 -0.399 17842 5808 1 8 . 1 1 95 95 GLY N N 96 110.432 110.432 109.501 0.931 17842 5809 1 8 . 1 1 95 95 GLY C C 96 171.826 171.826 172.113 -0.287 17842 5810 1 8 . 1 1 95 95 GLY CA C 96 46.886 46.886 46.119 0.767 17842 5811 1 8 . 1 1 95 95 GLY H H 96 9.005 9.005 8.899 0.106 17842 5812 1 8 . 1 1 96 96 ALA N N 97 117.509 117.509 121.943 -4.434 17842 5813 1 8 . 1 1 96 96 ALA C C 97 176.928 176.928 176.237 0.691 17842 5814 1 8 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.028 -0.627 17842 5815 1 8 . 1 1 96 96 ALA CB C 97 23.425 23.425 21.902 1.523 17842 5816 1 8 . 1 1 96 96 ALA H H 97 8.039 8.039 8.361 -0.322 17842 5817 1 8 . 1 1 97 97 THR N N 98 118.891 118.891 109.864 9.027 17842 5818 1 8 . 1 1 97 97 THR C C 98 172.492 172.492 173.464 -0.972 17842 5819 1 8 . 1 1 97 97 THR CA C 98 61.730 61.730 60.964 0.766 17842 5820 1 8 . 1 1 97 97 THR CB C 98 73.046 73.046 72.048 0.998 17842 5821 1 8 . 1 1 97 97 THR H H 98 8.379 8.379 7.972 0.407 17842 5822 1 8 . 1 1 98 98 LEU N N 99 124.958 124.958 121.228 3.730 17842 5823 1 8 . 1 1 98 98 LEU C C 99 175.753 175.753 175.509 0.244 17842 5824 1 8 . 1 1 98 98 LEU CA C 99 53.474 53.474 54.587 -1.113 17842 5825 1 8 . 1 1 98 98 LEU CB C 99 47.243 47.243 46.467 0.776 17842 5826 1 8 . 1 1 98 98 LEU H H 99 8.880 8.880 8.720 0.160 17842 5827 1 8 . 1 1 99 99 GLY N N 100 106.645 106.645 110.955 -4.310 17842 5828 1 8 . 1 1 99 99 GLY C C 100 169.886 169.886 171.568 -1.682 17842 5829 1 8 . 1 1 99 99 GLY CA C 100 46.631 46.631 44.374 2.257 17842 5830 1 8 . 1 1 99 99 GLY H H 100 8.635 8.635 9.064 -0.429 17842 5831 1 8 . 1 1 100 100 LEU N N 101 121.823 121.823 127.245 -5.422 17842 5832 1 8 . 1 1 100 100 LEU C C 101 174.876 174.876 174.760 0.116 17842 5833 1 8 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.372 -1.301 17842 5834 1 8 . 1 1 100 100 LEU CB C 101 46.646 46.646 46.711 -0.065 17842 5835 1 8 . 1 1 100 100 LEU H H 101 9.088 9.088 8.940 0.148 17842 5836 1 8 . 1 1 101 101 VAL N N 102 118.857 118.857 121.758 -2.901 17842 5837 1 8 . 1 1 101 101 VAL C C 102 174.015 174.015 174.412 -0.397 17842 5838 1 8 . 1 1 101 101 VAL CA C 102 59.666 59.666 59.129 0.537 17842 5839 1 8 . 1 1 101 101 VAL CB C 102 35.406 35.406 33.995 1.411 17842 5840 1 8 . 1 1 101 101 VAL H H 102 8.291 8.291 7.994 0.297 17842 5841 1 8 . 1 1 102 102 LYS N N 103 126.552 126.552 123.589 2.963 17842 5842 1 8 . 1 1 102 102 LYS C C 103 174.712 174.712 174.484 0.228 17842 5843 1 8 . 1 1 102 102 LYS CA C 103 54.433 54.433 55.062 -0.629 17842 5844 1 8 . 1 1 102 102 LYS CB C 103 35.733 35.733 36.401 -0.668 17842 5845 1 8 . 1 1 102 102 LYS H H 103 9.141 9.141 8.070 1.071 17842 5846 1 8 . 1 1 103 103 LEU N N 104 129.605 129.605 125.223 4.382 17842 5847 1 8 . 1 1 103 103 LEU C C 104 175.344 175.344 175.374 -0.030 17842 5848 1 8 . 1 1 103 103 LEU CA C 104 53.492 53.492 54.417 -0.925 17842 5849 1 8 . 1 1 103 103 LEU CB C 104 45.004 45.004 44.222 0.782 17842 5850 1 8 . 1 1 103 103 LEU H H 104 8.921 8.921 8.672 0.249 17842 5851 1 8 . 1 1 104 104 GLU C C 105 174.715 174.715 175.011 -0.296 17842 5852 1 8 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.536 -0.910 17842 5853 1 8 . 1 1 104 104 GLU CB C 105 33.055 33.055 31.624 1.431 17842 5854 1 8 . 1 1 105 105 GLN N N 106 121.991 121.991 120.942 1.049 17842 5855 1 8 . 1 1 105 105 GLN C C 106 175.002 175.002 174.738 0.264 17842 5856 1 8 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.375 -0.696 17842 5857 1 8 . 1 1 105 105 GLN CB C 106 30.252 30.252 30.843 -0.591 17842 5858 1 8 . 1 1 105 105 GLN H H 106 8.532 8.532 8.322 0.210 17842 5859 1 8 . 1 1 106 106 ASP N N 107 123.884 123.884 120.666 3.218 17842 5860 1 8 . 1 1 106 106 ASP C C 107 176.352 176.352 176.928 -0.576 17842 5861 1 8 . 1 1 106 106 ASP CA C 107 54.108 54.108 53.865 0.243 17842 5862 1 8 . 1 1 106 106 ASP CB C 107 41.448 41.448 42.289 -0.841 17842 5863 1 8 . 1 1 106 106 ASP H H 107 8.414 8.414 8.349 0.065 17842 5864 1 8 . 1 1 107 107 GLY N N 108 110.294 110.294 108.643 1.651 17842 5865 1 8 . 1 1 107 107 GLY C C 108 174.111 174.111 173.280 0.831 17842 5866 1 8 . 1 1 107 107 GLY CA C 108 44.992 44.992 44.784 0.208 17842 5867 1 8 . 1 1 107 107 GLY H H 108 8.226 8.226 8.145 0.081 17842 5868 1 8 . 1 1 108 108 LYS N N 109 121.045 121.045 121.170 -0.125 17842 5869 1 8 . 1 1 108 108 LYS C C 109 176.988 176.988 176.678 0.310 17842 5870 1 8 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.882 -0.639 17842 5871 1 8 . 1 1 108 108 LYS CB C 109 31.957 31.957 32.781 -0.824 17842 5872 1 8 . 1 1 108 108 LYS H H 109 8.130 8.130 8.343 -0.213 17842 5873 1 8 . 1 1 109 109 GLY N N 110 109.975 109.975 109.834 0.141 17842 5874 1 8 . 1 1 109 109 GLY C C 110 173.856 173.856 172.837 1.019 17842 5875 1 8 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.398 0.571 17842 5876 1 8 . 1 1 109 109 GLY H H 110 8.313 8.313 7.976 0.337 17842 5877 1 8 . 1 1 110 110 PHE N N 111 119.873 119.873 121.701 -1.828 17842 5878 1 8 . 1 1 110 110 PHE C C 111 175.195 175.195 175.490 -0.295 17842 5879 1 8 . 1 1 110 110 PHE CA C 111 57.334 57.334 57.826 -0.492 17842 5880 1 8 . 1 1 110 110 PHE CB C 111 39.311 39.311 39.990 -0.679 17842 5881 1 8 . 1 1 110 110 PHE H H 111 7.848 7.848 8.611 -0.763 17842 5882 1 8 . 1 1 111 111 LYS N N 112 122.900 122.900 124.767 -1.867 17842 5883 1 8 . 1 1 111 111 LYS C C 112 175.898 175.898 175.985 -0.087 17842 5884 1 8 . 1 1 111 111 LYS CA C 112 55.928 55.928 56.591 -0.663 17842 5885 1 8 . 1 1 111 111 LYS CB C 112 32.741 32.741 33.236 -0.494 17842 5886 1 8 . 1 1 111 111 LYS H H 112 8.073 8.073 8.770 -0.697 17842 5887 1 8 . 1 1 112 112 ARG N N 113 123.302 123.302 121.078 2.224 17842 5888 1 8 . 1 1 112 112 ARG C C 113 175.762 175.762 176.405 -0.643 17842 5889 1 8 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.456 -0.580 17842 5890 1 8 . 1 1 112 112 ARG CB C 113 30.678 30.678 31.049 -0.371 17842 5891 1 8 . 1 1 112 112 ARG H H 113 8.277 8.277 8.673 -0.396 17842 5892 1 8 . 1 1 113 113 ASP N N 114 122.193 122.193 121.501 0.692 17842 5893 1 8 . 1 1 113 113 ASP C C 114 175.875 175.875 175.255 0.620 17842 5894 1 8 . 1 1 113 113 ASP CA C 114 54.219 54.219 55.240 -1.021 17842 5895 1 8 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.356 -0.077 17842 5896 1 8 . 1 1 113 113 ASP H H 114 8.300 8.300 8.183 0.117 17842 5897 1 8 . 1 1 114 114 SER N N 115 114.844 114.844 113.891 0.953 17842 5898 1 8 . 1 1 114 114 SER C C 115 173.567 173.567 172.995 0.572 17842 5899 1 8 . 1 1 114 114 SER CA C 115 57.538 57.538 57.558 -0.020 17842 5900 1 8 . 1 1 114 114 SER CB C 115 64.306 64.306 65.318 -1.012 17842 5901 1 8 . 1 1 114 114 SER H H 115 8.071 8.071 8.138 -0.067 17842 5902 1 8 . 1 1 115 115 ASP N N 116 122.371 122.371 121.956 0.415 17842 5903 1 8 . 1 1 115 115 ASP C C 116 175.096 175.096 175.286 -0.190 17842 5904 1 8 . 1 1 115 115 ASP CA C 116 53.960 53.960 54.316 -0.356 17842 5905 1 8 . 1 1 115 115 ASP CB C 116 42.394 42.394 41.712 0.681 17842 5906 1 8 . 1 1 115 115 ASP H H 116 8.400 8.400 8.665 -0.265 17842 5907 1 8 . 1 1 116 116 VAL N N 117 120.462 120.462 119.091 1.371 17842 5908 1 8 . 1 1 116 116 VAL C C 117 175.349 175.349 175.411 -0.062 17842 5909 1 8 . 1 1 116 116 VAL CA C 117 60.785 60.785 60.633 0.152 17842 5910 1 8 . 1 1 116 116 VAL CB C 117 33.507 33.507 32.653 0.854 17842 5911 1 8 . 1 1 116 116 VAL H H 117 8.014 8.014 7.869 0.145 17842 5912 1 8 . 1 1 117 117 GLY N N 118 112.807 112.807 113.775 -0.968 17842 5913 1 8 . 1 1 117 117 GLY C C 118 172.079 172.079 172.427 -0.348 17842 5914 1 8 . 1 1 117 117 GLY CA C 118 43.255 43.255 43.597 -0.342 17842 5915 1 8 . 1 1 117 117 GLY H H 118 8.871 8.871 8.144 0.727 17842 5916 1 8 . 1 1 118 118 TYR N N 119 117.704 117.704 121.123 -3.419 17842 5917 1 8 . 1 1 118 118 TYR C C 119 175.024 175.024 174.260 0.764 17842 5918 1 8 . 1 1 118 118 TYR CA C 119 55.968 55.968 56.718 -0.750 17842 5919 1 8 . 1 1 118 118 TYR CB C 119 41.089 41.089 40.757 0.332 17842 5920 1 8 . 1 1 118 118 TYR H H 119 8.406 8.406 8.879 -0.473 17842 5921 1 8 . 1 1 119 119 ALA N N 120 122.050 122.050 124.800 -2.750 17842 5922 1 8 . 1 1 119 119 ALA C C 120 175.218 175.218 175.458 -0.240 17842 5923 1 8 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.917 -0.256 17842 5924 1 8 . 1 1 119 119 ALA CB C 120 23.187 23.187 23.095 0.092 17842 5925 1 8 . 1 1 119 119 ALA H H 120 8.605 8.605 9.131 -0.526 17842 5926 1 8 . 1 1 120 120 ALA N N 121 119.839 119.839 123.416 -3.577 17842 5927 1 8 . 1 1 120 120 ALA C C 121 175.881 175.881 175.682 0.199 17842 5928 1 8 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.512 -2.172 17842 5929 1 8 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.594 0.871 17842 5930 1 8 . 1 1 120 120 ALA H H 121 8.476 8.476 8.055 0.421 17842 5931 1 8 . 1 1 121 121 GLY N N 122 107.807 107.807 109.246 -1.439 17842 5932 1 8 . 1 1 121 121 GLY C C 122 171.191 171.191 172.561 -1.370 17842 5933 1 8 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.638 0.427 17842 5934 1 8 . 1 1 121 121 GLY H H 122 8.931 8.931 8.053 0.878 17842 5935 1 8 . 1 1 122 122 LEU N N 123 118.400 118.400 119.350 -0.950 17842 5936 1 8 . 1 1 122 122 LEU C C 123 174.684 174.684 174.498 0.186 17842 5937 1 8 . 1 1 122 122 LEU CA C 123 53.227 53.227 53.710 -0.483 17842 5938 1 8 . 1 1 122 122 LEU CB C 123 48.385 48.385 47.389 0.996 17842 5939 1 8 . 1 1 122 122 LEU H H 123 8.351 8.351 8.890 -0.539 17842 5940 1 8 . 1 1 123 123 GLN N N 124 113.455 113.455 118.117 -4.662 17842 5941 1 8 . 1 1 123 123 GLN C C 124 173.895 173.895 173.423 0.472 17842 5942 1 8 . 1 1 123 123 GLN CA C 124 54.004 54.004 55.175 -1.171 17842 5943 1 8 . 1 1 123 123 GLN CB C 124 28.135 28.135 33.592 -5.457 17842 5944 1 8 . 1 1 123 123 GLN H H 124 8.159 8.159 8.387 -0.228 17842 5945 1 8 . 1 1 124 124 ALA N N 125 118.711 118.711 124.304 -5.593 17842 5946 1 8 . 1 1 124 124 ALA C C 125 174.962 174.962 174.988 -0.026 17842 5947 1 8 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.615 -1.819 17842 5948 1 8 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.642 0.364 17842 5949 1 8 . 1 1 124 124 ALA H H 125 8.638 8.638 8.417 0.221 17842 5950 1 8 . 1 1 125 125 GLY N N 126 103.783 103.783 108.501 -4.718 17842 5951 1 8 . 1 1 125 125 GLY C C 126 170.390 170.390 172.328 -1.938 17842 5952 1 8 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.726 0.684 17842 5953 1 8 . 1 1 125 125 GLY H H 126 7.103 7.103 8.306 -1.203 17842 5954 1 8 . 1 1 126 126 ILE N N 127 118.306 118.306 116.250 2.056 17842 5955 1 8 . 1 1 126 126 ILE C C 127 172.353 172.353 174.040 -1.687 17842 5956 1 8 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.946 -2.353 17842 5957 1 8 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.168 0.996 17842 5958 1 8 . 1 1 126 126 ILE H H 127 8.564 8.564 8.144 0.420 17842 5959 1 8 . 1 1 127 127 LEU N N 128 129.339 129.339 128.535 0.804 17842 5960 1 8 . 1 1 127 127 LEU C C 128 173.613 173.613 176.364 -2.751 17842 5961 1 8 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.029 -0.501 17842 5962 1 8 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.188 3.616 17842 5963 1 8 . 1 1 127 127 LEU H H 128 9.236 9.236 8.159 1.077 17842 5964 1 8 . 1 1 128 128 GLN N N 129 126.801 126.801 124.243 2.558 17842 5965 1 8 . 1 1 128 128 GLN C C 129 175.093 175.093 174.614 0.479 17842 5966 1 8 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.509 -1.315 17842 5967 1 8 . 1 1 128 128 GLN CB C 129 30.947 30.947 31.219 -0.272 17842 5968 1 8 . 1 1 128 128 GLN H H 129 9.352 9.352 8.958 0.394 17842 5969 1 8 . 1 1 129 129 GLU N N 130 126.822 126.822 120.404 6.418 17842 5970 1 8 . 1 1 129 129 GLU C C 130 176.651 176.651 175.788 0.863 17842 5971 1 8 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.310 0.871 17842 5972 1 8 . 1 1 129 129 GLU CB C 130 27.761 27.761 32.015 -4.254 17842 5973 1 8 . 1 1 129 129 GLU H H 130 8.518 8.518 8.394 0.124 17842 5974 1 8 . 1 1 130 130 LEU N N 131 126.031 126.031 126.034 -0.003 17842 5975 1 8 . 1 1 130 130 LEU C C 131 176.044 176.044 176.087 -0.043 17842 5976 1 8 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.346 -0.172 17842 5977 1 8 . 1 1 130 130 LEU CB C 131 43.855 43.855 44.821 -0.966 17842 5978 1 8 . 1 1 130 130 LEU H H 131 8.708 8.708 8.599 0.109 17842 5979 1 8 . 1 1 131 131 SER N N 132 113.049 113.049 112.528 0.521 17842 5980 1 8 . 1 1 131 131 SER C C 132 174.092 174.092 173.189 0.903 17842 5981 1 8 . 1 1 131 131 SER CA C 132 55.993 55.993 57.417 -1.424 17842 5982 1 8 . 1 1 131 131 SER CB C 132 64.945 64.945 64.361 0.584 17842 5983 1 8 . 1 1 131 131 SER H H 132 8.282 8.282 7.591 0.691 17842 5984 1 8 . 1 1 132 132 LYS C C 133 176.346 176.346 175.497 0.849 17842 5985 1 8 . 1 1 132 132 LYS CA C 133 58.497 58.497 57.397 1.100 17842 5986 1 8 . 1 1 132 132 LYS CB C 133 31.009 31.009 31.502 -0.492 17842 5987 1 8 . 1 1 133 133 ASN N N 134 110.795 110.795 112.993 -2.198 17842 5988 1 8 . 1 1 133 133 ASN C C 134 173.897 173.897 173.014 0.883 17842 5989 1 8 . 1 1 133 133 ASN CA C 134 53.578 53.578 52.882 0.696 17842 5990 1 8 . 1 1 133 133 ASN CB C 134 40.830 40.830 38.043 2.787 17842 5991 1 8 . 1 1 133 133 ASN H H 134 7.761 7.761 7.919 -0.158 17842 5992 1 8 . 1 1 134 134 ALA N N 135 122.181 122.181 120.147 2.034 17842 5993 1 8 . 1 1 134 134 ALA C C 135 176.250 176.250 174.669 1.581 17842 5994 1 8 . 1 1 134 134 ALA CA C 135 51.157 51.157 52.239 -1.082 17842 5995 1 8 . 1 1 134 134 ALA CB C 135 22.133 22.133 20.979 1.154 17842 5996 1 8 . 1 1 134 134 ALA H H 135 7.562 7.562 7.316 0.246 17842 5997 1 8 . 1 1 135 135 SER N N 136 114.617 114.617 116.670 -2.053 17842 5998 1 8 . 1 1 135 135 SER C C 136 172.507 172.507 172.845 -0.338 17842 5999 1 8 . 1 1 135 135 SER CA C 136 56.164 56.164 56.386 -0.222 17842 6000 1 8 . 1 1 135 135 SER CB C 136 66.255 66.255 66.875 -0.620 17842 6001 1 8 . 1 1 135 135 SER H H 136 8.717 8.717 8.420 0.297 17842 6002 1 8 . 1 1 136 136 ILE N N 137 114.495 114.495 120.360 -5.865 17842 6003 1 8 . 1 1 136 136 ILE C C 137 173.136 173.136 173.893 -0.757 17842 6004 1 8 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.677 -2.257 17842 6005 1 8 . 1 1 136 136 ILE CB C 137 42.700 42.700 42.167 0.533 17842 6006 1 8 . 1 1 136 136 ILE H H 137 8.592 8.592 9.131 -0.539 17842 6007 1 8 . 1 1 137 137 GLU N N 138 122.016 122.016 126.279 -4.263 17842 6008 1 8 . 1 1 137 137 GLU C C 138 173.792 173.792 175.027 -1.235 17842 6009 1 8 . 1 1 137 137 GLU CA C 138 53.537 53.537 54.128 -0.591 17842 6010 1 8 . 1 1 137 137 GLU CB C 138 35.118 35.118 33.516 1.602 17842 6011 1 8 . 1 1 137 137 GLU H H 138 8.902 8.902 8.337 0.565 17842 6012 1 8 . 1 1 138 138 GLY N N 139 107.847 107.847 112.167 -4.320 17842 6013 1 8 . 1 1 138 138 GLY C C 139 171.817 171.817 172.599 -0.782 17842 6014 1 8 . 1 1 138 138 GLY CA C 139 44.070 44.070 44.689 -0.619 17842 6015 1 8 . 1 1 138 138 GLY H H 139 8.485 8.485 8.038 0.447 17842 6016 1 8 . 1 1 139 139 GLY N N 140 108.290 108.290 111.435 -3.145 17842 6017 1 8 . 1 1 139 139 GLY C C 140 169.172 169.172 171.677 -2.505 17842 6018 1 8 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.369 0.345 17842 6019 1 8 . 1 1 139 139 GLY H H 140 7.841 7.841 8.656 -0.815 17842 6020 1 8 . 1 1 140 140 TYR N N 141 119.674 119.674 117.242 2.432 17842 6021 1 8 . 1 1 140 140 TYR C C 141 173.643 173.643 174.221 -0.578 17842 6022 1 8 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.332 -1.153 17842 6023 1 8 . 1 1 140 140 TYR CB C 141 43.144 43.144 42.858 0.286 17842 6024 1 8 . 1 1 140 140 TYR H H 141 8.726 8.726 8.221 0.505 17842 6025 1 8 . 1 1 141 141 ARG N N 142 125.021 125.021 117.448 7.573 17842 6026 1 8 . 1 1 141 141 ARG C C 142 173.533 173.533 174.038 -0.505 17842 6027 1 8 . 1 1 141 141 ARG CA C 142 53.813 53.813 54.929 -1.116 17842 6028 1 8 . 1 1 141 141 ARG CB C 142 33.239 33.239 34.320 -1.081 17842 6029 1 8 . 1 1 141 141 ARG H H 142 8.502 8.502 8.876 -0.374 17842 6030 1 8 . 1 1 142 142 TYR N N 143 128.805 128.805 122.207 6.598 17842 6031 1 8 . 1 1 142 142 TYR C C 143 173.475 173.475 173.959 -0.484 17842 6032 1 8 . 1 1 142 142 TYR CA C 143 56.428 56.428 57.426 -0.998 17842 6033 1 8 . 1 1 142 142 TYR CB C 143 41.642 41.642 41.227 0.415 17842 6034 1 8 . 1 1 142 142 TYR H H 143 8.978 8.978 9.023 -0.045 17842 6035 1 8 . 1 1 143 143 LEU N N 144 125.513 125.513 119.950 5.563 17842 6036 1 8 . 1 1 143 143 LEU C C 144 175.370 175.370 174.597 0.773 17842 6037 1 8 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.047 -1.154 17842 6038 1 8 . 1 1 143 143 LEU CB C 144 45.924 45.924 46.102 -0.178 17842 6039 1 8 . 1 1 143 143 LEU H H 144 8.117 8.117 8.260 -0.143 17842 6040 1 8 . 1 1 144 144 ARG N N 145 122.193 122.193 118.790 3.403 17842 6041 1 8 . 1 1 144 144 ARG C C 145 175.452 175.452 175.397 0.055 17842 6042 1 8 . 1 1 144 144 ARG CA C 145 54.077 54.077 54.766 -0.688 17842 6043 1 8 . 1 1 144 144 ARG CB C 145 31.377 31.377 33.089 -1.712 17842 6044 1 8 . 1 1 144 144 ARG H H 145 8.810 8.810 8.024 0.786 17842 6045 1 8 . 1 1 145 145 THR C C 146 172.708 172.708 173.832 -1.124 17842 6046 1 8 . 1 1 145 145 THR CA C 146 59.117 59.117 61.288 -2.171 17842 6047 1 8 . 1 1 145 145 THR CB C 146 70.345 70.345 70.076 0.269 17842 6048 1 8 . 1 1 146 146 ASN N N 147 120.236 120.236 124.727 -4.491 17842 6049 1 8 . 1 1 146 146 ASN C C 147 175.341 175.341 174.904 0.437 17842 6050 1 8 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.212 -1.332 17842 6051 1 8 . 1 1 146 146 ASN CB C 147 38.462 38.462 41.890 -3.428 17842 6052 1 8 . 1 1 146 146 ASN H H 147 8.259 8.259 9.109 -0.850 17842 6053 1 8 . 1 1 147 147 ALA N N 148 124.724 124.724 127.917 -3.193 17842 6054 1 8 . 1 1 147 147 ALA C C 148 176.378 176.378 177.799 -1.421 17842 6055 1 8 . 1 1 147 147 ALA CA C 148 52.179 52.179 54.160 -1.981 17842 6056 1 8 . 1 1 147 147 ALA CB C 148 18.626 18.626 18.716 -0.090 17842 6057 1 8 . 1 1 147 147 ALA H H 148 8.256 8.256 8.724 -0.468 17842 6058 1 8 . 1 1 148 148 SER N N 149 115.670 115.670 112.613 3.057 17842 6059 1 8 . 1 1 148 148 SER C C 149 174.123 174.123 174.179 -0.056 17842 6060 1 8 . 1 1 148 148 SER CA C 149 57.281 57.281 58.567 -1.286 17842 6061 1 8 . 1 1 148 148 SER CB C 149 64.685 64.685 64.002 0.683 17842 6062 1 8 . 1 1 148 148 SER H H 149 8.372 8.372 7.963 0.409 17842 6063 1 8 . 1 1 149 149 THR N N 150 115.292 115.292 112.887 2.405 17842 6064 1 8 . 1 1 149 149 THR C C 150 173.858 173.858 174.773 -0.915 17842 6065 1 8 . 1 1 149 149 THR CA C 150 61.189 61.189 62.753 -1.564 17842 6066 1 8 . 1 1 149 149 THR CB C 150 69.105 69.105 68.831 0.274 17842 6067 1 8 . 1 1 149 149 THR H H 150 8.228 8.228 8.083 0.145 17842 6068 1 8 . 1 1 150 150 GLU N N 151 123.244 123.244 122.819 0.425 17842 6069 1 8 . 1 1 150 150 GLU C C 151 176.121 176.121 175.471 0.650 17842 6070 1 8 . 1 1 150 150 GLU CA C 151 56.002 56.002 55.583 0.419 17842 6071 1 8 . 1 1 150 150 GLU CB C 151 29.931 29.931 29.784 0.147 17842 6072 1 8 . 1 1 150 150 GLU H H 151 8.186 8.186 8.254 -0.068 17842 6073 1 8 . 1 1 151 151 MET N N 152 121.600 121.600 123.035 -1.435 17842 6074 1 8 . 1 1 151 151 MET C C 152 175.810 175.810 176.450 -0.640 17842 6075 1 8 . 1 1 151 151 MET CA C 152 55.254 55.254 54.635 0.619 17842 6076 1 8 . 1 1 151 151 MET CB C 152 33.247 33.247 34.068 -0.821 17842 6077 1 8 . 1 1 151 151 MET H H 152 8.248 8.248 8.226 0.022 17842 6078 1 8 . 1 1 152 152 THR N N 153 117.486 117.486 117.229 0.257 17842 6079 1 8 . 1 1 152 152 THR C C 153 172.907 172.907 173.161 -0.254 17842 6080 1 8 . 1 1 152 152 THR CA C 153 59.365 59.365 59.330 0.035 17842 6081 1 8 . 1 1 152 152 THR CB C 153 69.366 69.366 68.990 0.376 17842 6082 1 8 . 1 1 152 152 THR H H 153 8.113 8.113 8.275 -0.162 17842 6083 1 8 . 1 1 155 155 GLY C C 156 174.620 174.620 173.951 0.669 17842 6084 1 8 . 1 1 155 155 GLY CA C 156 45.280 45.280 45.494 -0.214 17842 6085 1 8 . 1 1 156 156 GLY N N 157 109.059 109.059 108.570 0.489 17842 6086 1 8 . 1 1 156 156 GLY C C 157 173.801 173.801 174.194 -0.393 17842 6087 1 8 . 1 1 156 156 GLY CA C 157 44.929 44.929 44.945 -0.016 17842 6088 1 8 . 1 1 156 156 GLY H H 157 8.175 8.175 8.359 -0.184 17842 6089 1 8 . 1 1 157 157 ASN N N 158 118.630 118.630 116.850 1.780 17842 6090 1 8 . 1 1 157 157 ASN C C 158 175.025 175.025 174.446 0.579 17842 6091 1 8 . 1 1 157 157 ASN CA C 158 52.791 52.791 53.197 -0.406 17842 6092 1 8 . 1 1 157 157 ASN CB C 158 38.532 38.532 39.910 -1.378 17842 6093 1 8 . 1 1 157 157 ASN H H 158 8.114 8.114 8.221 -0.107 17842 6094 1 8 . 1 1 158 158 LYS N N 159 121.755 121.755 121.428 0.327 17842 6095 1 8 . 1 1 158 158 LYS C C 159 176.361 176.361 175.533 0.828 17842 6096 1 8 . 1 1 158 158 LYS CA C 159 56.472 56.472 55.623 0.848 17842 6097 1 8 . 1 1 158 158 LYS CB C 159 32.403 32.403 33.440 -1.037 17842 6098 1 8 . 1 1 158 158 LYS H H 159 8.169 8.169 7.879 0.290 17842 6099 1 8 . 1 1 159 159 LEU N N 160 123.084 123.084 121.150 1.934 17842 6100 1 8 . 1 1 159 159 LEU C C 160 177.408 177.408 176.662 0.746 17842 6101 1 8 . 1 1 159 159 LEU CA C 160 55.162 55.162 55.418 -0.256 17842 6102 1 8 . 1 1 159 159 LEU CB C 160 42.690 42.690 42.538 0.152 17842 6103 1 8 . 1 1 159 159 LEU H H 160 8.173 8.173 8.387 -0.214 17842 6104 1 8 . 1 1 160 160 GLY N N 161 109.180 109.180 108.785 0.395 17842 6105 1 8 . 1 1 160 160 GLY C C 161 173.574 173.574 173.340 0.234 17842 6106 1 8 . 1 1 160 160 GLY CA C 161 44.877 44.877 44.690 0.187 17842 6107 1 8 . 1 1 160 160 GLY H H 161 8.117 8.117 8.121 -0.005 17842 6108 1 8 . 1 1 161 161 SER N N 162 115.719 115.719 115.367 0.352 17842 6109 1 8 . 1 1 161 161 SER C C 162 173.715 173.715 174.877 -1.162 17842 6110 1 8 . 1 1 161 161 SER CA C 162 57.965 57.965 58.400 -0.435 17842 6111 1 8 . 1 1 161 161 SER CB C 162 63.856 63.856 63.811 0.045 17842 6112 1 8 . 1 1 161 161 SER H H 162 8.064 8.064 8.258 -0.194 17842 6113 1 8 . 1 1 162 162 LEU N N 163 123.433 123.433 126.498 -3.065 17842 6114 1 8 . 1 1 162 162 LEU C C 163 175.609 175.609 176.825 -1.216 17842 6115 1 8 . 1 1 162 162 LEU CA C 163 54.385 54.385 54.567 -0.182 17842 6116 1 8 . 1 1 162 162 LEU CB C 163 43.046 43.046 42.826 0.220 17842 6117 1 8 . 1 1 162 162 LEU H H 163 8.282 8.282 8.290 -0.008 17842 6118 1 8 . 1 1 163 163 ASP N N 164 122.223 122.223 121.176 1.047 17842 6119 1 8 . 1 1 163 163 ASP C C 164 175.122 175.122 175.524 -0.402 17842 6120 1 8 . 1 1 163 163 ASP CA C 164 53.400 53.400 54.581 -1.181 17842 6121 1 8 . 1 1 163 163 ASP CB C 164 41.200 41.200 41.299 -0.099 17842 6122 1 8 . 1 1 163 163 ASP H H 164 8.356 8.356 8.297 0.059 17842 6123 1 8 . 1 1 166 166 SER C C 167 172.472 172.472 173.817 -1.345 17842 6124 1 8 . 1 1 166 166 SER CA C 167 56.760 56.760 57.501 -0.741 17842 6125 1 8 . 1 1 167 167 SER N N 168 115.939 115.939 116.442 -0.503 17842 6126 1 8 . 1 1 167 167 SER C C 168 173.318 173.318 172.605 0.713 17842 6127 1 8 . 1 1 167 167 SER CA C 168 56.763 56.763 57.591 -0.828 17842 6128 1 8 . 1 1 167 167 SER CB C 168 65.286 65.286 65.949 -0.663 17842 6129 1 8 . 1 1 167 167 SER H H 168 8.678 8.678 8.446 0.232 17842 6130 1 8 . 1 1 168 168 SER C C 169 172.500 172.500 173.565 -1.065 17842 6131 1 8 . 1 1 168 168 SER CA C 169 56.569 56.569 57.845 -1.276 17842 6132 1 8 . 1 1 168 168 SER CB C 169 65.738 65.738 64.580 1.158 17842 6133 1 8 . 1 1 169 169 GLN N N 170 122.951 122.951 121.956 0.995 17842 6134 1 8 . 1 1 169 169 GLN C C 170 174.697 174.697 174.975 -0.278 17842 6135 1 8 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.531 -0.493 17842 6136 1 8 . 1 1 169 169 GLN CB C 170 32.383 32.383 33.675 -1.292 17842 6137 1 8 . 1 1 169 169 GLN H H 170 8.745 8.745 7.858 0.887 17842 6138 1 8 . 1 1 170 170 PHE N N 171 125.628 125.628 119.828 5.800 17842 6139 1 8 . 1 1 170 170 PHE C C 171 174.628 174.628 174.668 -0.040 17842 6140 1 8 . 1 1 170 170 PHE CA C 171 56.200 56.200 56.674 -0.474 17842 6141 1 8 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.931 -1.379 17842 6142 1 8 . 1 1 170 170 PHE H H 171 7.771 7.771 8.880 -1.109 17842 6143 1 8 . 1 1 171 171 TYR N N 172 121.558 121.558 119.805 1.753 17842 6144 1 8 . 1 1 171 171 TYR C C 172 171.727 171.727 173.812 -2.085 17842 6145 1 8 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.212 -1.166 17842 6146 1 8 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.304 0.135 17842 6147 1 8 . 1 1 171 171 TYR H H 172 8.696 8.696 9.356 -0.660 17842 6148 1 8 . 1 1 172 172 LEU N N 173 119.230 119.230 127.177 -7.947 17842 6149 1 8 . 1 1 172 172 LEU C C 173 176.352 176.352 174.870 1.482 17842 6150 1 8 . 1 1 172 172 LEU CA C 173 52.743 52.743 55.030 -2.287 17842 6151 1 8 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.670 -0.133 17842 6152 1 8 . 1 1 172 172 LEU H H 173 8.971 8.971 8.203 0.768 17842 6153 1 8 . 1 1 173 173 GLY N N 174 107.248 107.248 109.690 -2.442 17842 6154 1 8 . 1 1 173 173 GLY C C 174 170.680 170.680 171.983 -1.303 17842 6155 1 8 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.017 -1.097 17842 6156 1 8 . 1 1 173 173 GLY H H 174 9.085 9.085 8.842 0.243 17842 6157 1 8 . 1 1 174 174 ALA N N 175 121.461 121.461 120.923 0.538 17842 6158 1 8 . 1 1 174 174 ALA C C 175 174.546 174.546 175.395 -0.849 17842 6159 1 8 . 1 1 174 174 ALA CA C 175 50.312 50.312 50.326 -0.014 17842 6160 1 8 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.468 -0.826 17842 6161 1 8 . 1 1 174 174 ALA H H 175 8.575 8.575 7.893 0.682 17842 6162 1 8 . 1 1 175 175 ASN N N 176 117.370 117.370 116.441 0.929 17842 6163 1 8 . 1 1 175 175 ASN C C 176 173.370 173.370 173.269 0.101 17842 6164 1 8 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.408 -1.809 17842 6165 1 8 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.341 -0.384 17842 6166 1 8 . 1 1 175 175 ASN H H 176 8.762 8.762 8.365 0.397 17842 6167 1 8 . 1 1 176 176 TYR N N 177 122.724 122.724 124.695 -1.971 17842 6168 1 8 . 1 1 176 176 TYR C C 177 173.924 173.924 175.426 -1.502 17842 6169 1 8 . 1 1 176 176 TYR CA C 177 56.438 56.438 57.506 -1.068 17842 6170 1 8 . 1 1 176 176 TYR CB C 177 42.401 42.401 40.055 2.346 17842 6171 1 8 . 1 1 176 176 TYR H H 177 9.570 9.570 9.242 0.328 17842 6172 1 8 . 1 1 177 177 LYS N N 178 127.067 127.067 125.699 1.368 17842 6173 1 8 . 1 1 177 177 LYS C C 178 174.336 174.336 175.981 -1.645 17842 6174 1 8 . 1 1 177 177 LYS CA C 178 54.243 54.243 56.829 -2.586 17842 6175 1 8 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.806 0.145 17842 6176 1 8 . 1 1 177 177 LYS H H 178 8.284 8.284 8.527 -0.243 17842 6177 1 9 . 1 1 2 2 ASP N N 3 119.767 119.767 120.342 -0.575 17842 6178 1 9 . 1 1 2 2 ASP C C 3 175.809 175.809 174.623 1.186 17842 6179 1 9 . 1 1 2 2 ASP CA C 3 53.303 53.303 52.968 0.335 17842 6180 1 9 . 1 1 2 2 ASP CB C 3 42.915 42.915 45.316 -2.401 17842 6181 1 9 . 1 1 2 2 ASP H H 3 8.443 8.443 8.208 0.235 17842 6182 1 9 . 1 1 3 3 ASN N N 4 123.667 123.667 117.977 5.690 17842 6183 1 9 . 1 1 3 3 ASN C C 4 174.736 174.736 174.278 0.458 17842 6184 1 9 . 1 1 3 3 ASN CA C 4 52.911 52.911 53.202 -0.291 17842 6185 1 9 . 1 1 3 3 ASN CB C 4 39.160 39.160 41.693 -2.533 17842 6186 1 9 . 1 1 3 3 ASN H H 4 8.923 8.923 8.603 0.320 17842 6187 1 9 . 1 1 4 4 PHE N N 5 118.447 118.447 121.370 -2.923 17842 6188 1 9 . 1 1 4 4 PHE C C 5 172.331 172.331 173.665 -1.334 17842 6189 1 9 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.560 -1.508 17842 6190 1 9 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.592 -0.729 17842 6191 1 9 . 1 1 4 4 PHE H H 5 8.910 8.910 8.249 0.661 17842 6192 1 9 . 1 1 5 5 VAL N N 6 116.195 116.195 117.999 -1.804 17842 6193 1 9 . 1 1 5 5 VAL C C 6 174.144 174.144 174.510 -0.366 17842 6194 1 9 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.523 -1.994 17842 6195 1 9 . 1 1 5 5 VAL CB C 6 35.818 35.818 34.306 1.512 17842 6196 1 9 . 1 1 5 5 VAL H H 6 8.903 8.903 8.597 0.306 17842 6197 1 9 . 1 1 6 6 GLY N N 7 110.150 110.150 113.173 -3.023 17842 6198 1 9 . 1 1 6 6 GLY C C 7 170.825 170.825 172.109 -1.284 17842 6199 1 9 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.259 0.959 17842 6200 1 9 . 1 1 6 6 GLY H H 7 8.670 8.670 8.678 -0.008 17842 6201 1 9 . 1 1 7 7 LEU N N 8 120.059 120.059 119.611 0.448 17842 6202 1 9 . 1 1 7 7 LEU C C 8 175.596 175.596 176.063 -0.467 17842 6203 1 9 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.180 -1.247 17842 6204 1 9 . 1 1 7 7 LEU CB C 8 47.663 47.663 45.668 1.995 17842 6205 1 9 . 1 1 7 7 LEU H H 8 8.562 8.562 7.970 0.593 17842 6206 1 9 . 1 1 8 8 THR N N 9 112.180 112.180 117.742 -5.562 17842 6207 1 9 . 1 1 8 8 THR C C 9 172.942 172.942 173.001 -0.059 17842 6208 1 9 . 1 1 8 8 THR CA C 9 59.539 59.539 62.120 -2.581 17842 6209 1 9 . 1 1 8 8 THR CB C 9 70.735 70.735 70.344 0.391 17842 6210 1 9 . 1 1 8 8 THR H H 9 9.114 9.114 8.117 0.997 17842 6211 1 9 . 1 1 9 9 TRP N N 10 121.476 121.476 128.982 -7.506 17842 6212 1 9 . 1 1 9 9 TRP C C 10 174.622 174.622 175.259 -0.637 17842 6213 1 9 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.601 0.817 17842 6214 1 9 . 1 1 9 9 TRP CB C 10 31.877 31.877 33.012 -1.135 17842 6215 1 9 . 1 1 9 9 TRP H H 10 9.022 9.022 8.142 0.880 17842 6216 1 9 . 1 1 10 10 GLY N N 11 112.750 112.750 113.260 -0.510 17842 6217 1 9 . 1 1 10 10 GLY C C 11 171.655 171.655 172.706 -1.051 17842 6218 1 9 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.756 1.184 17842 6219 1 9 . 1 1 10 10 GLY H H 11 7.798 7.798 8.215 -0.417 17842 6220 1 9 . 1 1 11 11 GLU N N 12 117.292 117.292 125.308 -8.016 17842 6221 1 9 . 1 1 11 11 GLU C C 12 175.810 175.810 175.343 0.467 17842 6222 1 9 . 1 1 11 11 GLU CA C 12 53.743 53.743 56.452 -2.709 17842 6223 1 9 . 1 1 11 11 GLU CB C 12 31.361 31.361 31.046 0.315 17842 6224 1 9 . 1 1 11 11 GLU H H 12 8.223 8.223 8.128 0.095 17842 6225 1 9 . 1 1 12 12 THR N N 13 123.477 123.477 119.469 4.008 17842 6226 1 9 . 1 1 12 12 THR C C 13 174.233 174.233 173.622 0.611 17842 6227 1 9 . 1 1 12 12 THR CA C 13 61.872 61.872 61.546 0.326 17842 6228 1 9 . 1 1 12 12 THR CB C 13 69.374 69.374 71.024 -1.650 17842 6229 1 9 . 1 1 12 12 THR H H 13 8.722 8.722 8.227 0.495 17842 6230 1 9 . 1 1 13 13 SER N N 14 122.220 122.220 118.753 3.467 17842 6231 1 9 . 1 1 13 13 SER C C 14 173.577 173.577 172.625 0.952 17842 6232 1 9 . 1 1 13 13 SER CA C 14 56.934 56.934 58.570 -1.636 17842 6233 1 9 . 1 1 13 13 SER CB C 14 64.249 64.249 64.162 0.088 17842 6234 1 9 . 1 1 13 13 SER H H 14 9.225 9.225 8.576 0.649 17842 6235 1 9 . 1 1 14 14 ASN N N 15 125.159 125.159 121.681 3.478 17842 6236 1 9 . 1 1 14 14 ASN C C 15 174.673 174.673 173.765 0.908 17842 6237 1 9 . 1 1 14 14 ASN CA C 15 51.888 51.888 53.535 -1.647 17842 6238 1 9 . 1 1 14 14 ASN CB C 15 39.777 39.777 41.574 -1.797 17842 6239 1 9 . 1 1 14 14 ASN H H 15 8.745 8.745 8.640 0.105 17842 6240 1 9 . 1 1 15 15 ASN N N 16 120.330 120.330 120.196 0.134 17842 6241 1 9 . 1 1 15 15 ASN C C 16 175.886 175.886 175.147 0.739 17842 6242 1 9 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.340 -0.560 17842 6243 1 9 . 1 1 15 15 ASN CB C 16 38.595 38.595 37.903 0.692 17842 6244 1 9 . 1 1 15 15 ASN H H 16 8.494 8.494 8.669 -0.175 17842 6245 1 9 . 1 1 20 20 LYS C C 21 176.705 176.705 176.820 -0.115 17842 6246 1 9 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.820 -0.137 17842 6247 1 9 . 1 1 21 21 SER N N 22 115.966 115.966 116.065 -0.099 17842 6248 1 9 . 1 1 21 21 SER C C 22 174.564 174.564 173.503 1.061 17842 6249 1 9 . 1 1 21 21 SER CA C 22 58.149 58.149 58.080 0.069 17842 6250 1 9 . 1 1 21 21 SER CB C 22 63.308 63.308 63.472 -0.164 17842 6251 1 9 . 1 1 21 21 SER H H 22 8.053 8.053 7.876 0.177 17842 6252 1 9 . 1 1 22 22 LEU N N 23 123.751 123.751 123.766 -0.015 17842 6253 1 9 . 1 1 22 22 LEU C C 23 176.968 176.968 175.111 1.857 17842 6254 1 9 . 1 1 22 22 LEU CA C 23 55.269 55.269 54.787 0.482 17842 6255 1 9 . 1 1 22 22 LEU CB C 23 42.334 42.334 44.108 -1.774 17842 6256 1 9 . 1 1 22 22 LEU H H 23 8.006 8.006 8.389 -0.383 17842 6257 1 9 . 1 1 23 23 ASN N N 24 118.937 118.937 118.738 0.199 17842 6258 1 9 . 1 1 23 23 ASN C C 24 175.119 175.119 174.763 0.356 17842 6259 1 9 . 1 1 23 23 ASN CA C 24 52.993 52.993 52.758 0.235 17842 6260 1 9 . 1 1 23 23 ASN CB C 24 38.255 38.255 40.510 -2.255 17842 6261 1 9 . 1 1 23 23 ASN H H 24 8.136 8.136 8.531 -0.395 17842 6262 1 9 . 1 1 24 24 ARG N N 25 121.500 121.500 121.869 -0.369 17842 6263 1 9 . 1 1 24 24 ARG C C 25 175.849 175.849 175.133 0.716 17842 6264 1 9 . 1 1 24 24 ARG CA C 25 56.368 56.368 56.008 0.360 17842 6265 1 9 . 1 1 24 24 ARG CB C 25 30.366 30.366 30.022 0.344 17842 6266 1 9 . 1 1 24 24 ARG H H 25 8.097 8.097 8.633 -0.536 17842 6267 1 9 . 1 1 25 25 ASN N N 26 119.196 119.196 116.390 2.806 17842 6268 1 9 . 1 1 25 25 ASN C C 26 175.122 175.122 173.977 1.145 17842 6269 1 9 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.408 -0.347 17842 6270 1 9 . 1 1 25 25 ASN CB C 26 38.291 38.291 40.253 -1.962 17842 6271 1 9 . 1 1 25 25 ASN H H 26 8.278 8.278 7.979 0.299 17842 6272 1 9 . 1 1 26 26 LEU N N 27 122.352 122.352 123.533 -1.181 17842 6273 1 9 . 1 1 26 26 LEU C C 27 176.903 176.903 176.077 0.826 17842 6274 1 9 . 1 1 26 26 LEU CA C 27 55.326 55.326 54.321 1.005 17842 6275 1 9 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.365 -0.179 17842 6276 1 9 . 1 1 26 26 LEU H H 27 7.992 7.992 7.963 0.029 17842 6277 1 9 . 1 1 27 27 ASN N N 28 118.444 118.444 120.782 -2.338 17842 6278 1 9 . 1 1 27 27 ASN C C 28 174.754 174.754 175.098 -0.344 17842 6279 1 9 . 1 1 27 27 ASN CA C 28 52.960 52.960 52.425 0.535 17842 6280 1 9 . 1 1 27 27 ASN CB C 28 38.419 38.419 40.016 -1.597 17842 6281 1 9 . 1 1 27 27 ASN H H 28 8.216 8.216 8.561 -0.345 17842 6282 1 9 . 1 1 28 28 SER N N 29 116.471 116.471 117.039 -0.568 17842 6283 1 9 . 1 1 28 28 SER C C 29 172.778 172.778 173.013 -0.235 17842 6284 1 9 . 1 1 28 28 SER CA C 29 55.982 55.982 59.501 -3.518 17842 6285 1 9 . 1 1 28 28 SER CB C 29 63.179 63.179 62.535 0.644 17842 6286 1 9 . 1 1 28 28 SER H H 29 7.833 7.833 8.657 -0.824 17842 6287 1 9 . 1 1 29 29 PRO C C 30 176.535 176.535 175.850 0.685 17842 6288 1 9 . 1 1 29 29 PRO CA C 30 63.458 63.458 62.967 0.491 17842 6289 1 9 . 1 1 29 29 PRO CB C 30 31.672 31.672 31.577 0.095 17842 6290 1 9 . 1 1 30 30 ASN N N 31 118.189 118.189 121.181 -2.992 17842 6291 1 9 . 1 1 30 30 ASN C C 31 175.075 175.075 175.265 -0.190 17842 6292 1 9 . 1 1 30 30 ASN CA C 31 53.051 53.051 52.493 0.558 17842 6293 1 9 . 1 1 30 30 ASN CB C 31 38.277 38.277 40.734 -2.457 17842 6294 1 9 . 1 1 30 30 ASN H H 31 8.231 8.231 8.469 -0.238 17842 6295 1 9 . 1 1 31 31 LEU N N 32 122.838 122.838 122.807 0.031 17842 6296 1 9 . 1 1 31 31 LEU C C 32 176.800 176.800 176.921 -0.121 17842 6297 1 9 . 1 1 31 31 LEU CA C 32 55.107 55.107 55.438 -0.331 17842 6298 1 9 . 1 1 31 31 LEU CB C 32 42.291 42.291 41.022 1.269 17842 6299 1 9 . 1 1 31 31 LEU H H 32 8.011 8.011 8.627 -0.616 17842 6300 1 9 . 1 1 32 32 ASP N N 33 120.740 120.740 123.696 -2.956 17842 6301 1 9 . 1 1 32 32 ASP C C 33 175.863 175.863 175.578 0.285 17842 6302 1 9 . 1 1 32 32 ASP CA C 33 54.331 54.331 53.997 0.334 17842 6303 1 9 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.326 -0.568 17842 6304 1 9 . 1 1 32 32 ASP H H 33 8.151 8.151 8.209 -0.058 17842 6305 1 9 . 1 1 33 33 LYS N N 34 120.746 120.746 118.376 2.370 17842 6306 1 9 . 1 1 33 33 LYS C C 34 175.912 175.912 175.102 0.810 17842 6307 1 9 . 1 1 33 33 LYS CA C 34 55.865 55.865 57.664 -1.799 17842 6308 1 9 . 1 1 33 33 LYS CB C 34 32.738 32.738 30.399 2.339 17842 6309 1 9 . 1 1 33 33 LYS H H 34 7.933 7.933 8.587 -0.654 17842 6310 1 9 . 1 1 34 34 VAL N N 35 121.590 121.590 116.341 5.249 17842 6311 1 9 . 1 1 34 34 VAL C C 35 175.691 175.691 176.637 -0.946 17842 6312 1 9 . 1 1 34 34 VAL CA C 35 62.186 62.186 63.275 -1.089 17842 6313 1 9 . 1 1 34 34 VAL CB C 35 32.591 32.591 33.111 -0.520 17842 6314 1 9 . 1 1 34 34 VAL H H 35 7.995 7.995 8.216 -0.221 17842 6315 1 9 . 1 1 35 35 ILE N N 36 124.025 124.025 121.038 2.987 17842 6316 1 9 . 1 1 35 35 ILE C C 36 175.266 175.266 175.116 0.150 17842 6317 1 9 . 1 1 35 35 ILE CA C 36 60.495 60.495 60.968 -0.473 17842 6318 1 9 . 1 1 35 35 ILE CB C 36 38.489 38.489 36.996 1.493 17842 6319 1 9 . 1 1 35 35 ILE H H 36 8.034 8.034 8.369 -0.335 17842 6320 1 9 . 1 1 36 36 ASP N N 37 125.860 125.860 126.660 -0.800 17842 6321 1 9 . 1 1 36 36 ASP C C 37 175.014 175.014 175.974 -0.960 17842 6322 1 9 . 1 1 36 36 ASP CA C 37 53.719 53.719 54.632 -0.913 17842 6323 1 9 . 1 1 36 36 ASP CB C 37 41.755 41.755 41.919 -0.164 17842 6324 1 9 . 1 1 36 36 ASP H H 37 8.190 8.190 9.026 -0.836 17842 6325 1 9 . 1 1 37 37 ASN N N 38 120.770 120.770 116.515 4.255 17842 6326 1 9 . 1 1 37 37 ASN C C 38 174.821 174.821 174.440 0.381 17842 6327 1 9 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.100 0.057 17842 6328 1 9 . 1 1 37 37 ASN CB C 38 38.663 38.663 40.606 -1.944 17842 6329 1 9 . 1 1 37 37 ASN H H 38 8.334 8.334 8.147 0.187 17842 6330 1 9 . 1 1 38 38 THR N N 39 115.976 115.976 115.664 0.312 17842 6331 1 9 . 1 1 38 38 THR C C 39 175.226 175.226 174.505 0.721 17842 6332 1 9 . 1 1 38 38 THR CA C 39 62.215 62.215 61.442 0.773 17842 6333 1 9 . 1 1 38 38 THR CB C 39 69.618 69.618 69.805 -0.187 17842 6334 1 9 . 1 1 38 38 THR H H 39 8.508 8.508 8.419 0.089 17842 6335 1 9 . 1 1 39 39 GLY N N 40 115.818 115.818 107.713 8.105 17842 6336 1 9 . 1 1 39 39 GLY C C 40 172.862 172.862 172.340 0.522 17842 6337 1 9 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.550 0.618 17842 6338 1 9 . 1 1 39 39 GLY H H 40 8.819 8.819 8.192 0.627 17842 6339 1 9 . 1 1 40 40 THR N N 41 119.787 119.787 116.478 3.309 17842 6340 1 9 . 1 1 40 40 THR C C 41 172.914 172.914 173.448 -0.534 17842 6341 1 9 . 1 1 40 40 THR CA C 41 61.321 61.321 60.714 0.607 17842 6342 1 9 . 1 1 40 40 THR CB C 41 71.499 71.499 70.081 1.418 17842 6343 1 9 . 1 1 40 40 THR H H 41 8.117 8.117 8.023 0.094 17842 6344 1 9 . 1 1 41 41 TRP N N 42 128.090 128.090 126.288 1.802 17842 6345 1 9 . 1 1 41 41 TRP C C 42 174.627 174.627 174.267 0.360 17842 6346 1 9 . 1 1 41 41 TRP CA C 42 55.122 55.122 53.823 1.299 17842 6347 1 9 . 1 1 41 41 TRP CB C 42 31.905 31.905 30.907 0.998 17842 6348 1 9 . 1 1 41 41 TRP H H 42 8.178 8.178 8.403 -0.225 17842 6349 1 9 . 1 1 42 42 GLY N N 43 109.883 109.883 110.847 -0.964 17842 6350 1 9 . 1 1 42 42 GLY C C 43 172.317 172.317 172.497 -0.180 17842 6351 1 9 . 1 1 42 42 GLY CA C 43 44.176 44.176 45.006 -0.830 17842 6352 1 9 . 1 1 42 42 GLY H H 43 8.892 8.892 7.802 1.090 17842 6353 1 9 . 1 1 43 43 ILE N N 44 118.005 118.005 115.543 2.462 17842 6354 1 9 . 1 1 43 43 ILE C C 44 173.071 173.071 174.467 -1.396 17842 6355 1 9 . 1 1 43 43 ILE CA C 44 58.606 58.606 59.531 -0.925 17842 6356 1 9 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.412 0.718 17842 6357 1 9 . 1 1 43 43 ILE H H 44 8.879 8.879 7.762 1.117 17842 6358 1 9 . 1 1 44 44 ARG N N 45 120.855 120.855 121.038 -0.183 17842 6359 1 9 . 1 1 44 44 ARG C C 45 174.942 174.942 174.643 0.299 17842 6360 1 9 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.100 -1.211 17842 6361 1 9 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.822 -0.870 17842 6362 1 9 . 1 1 44 44 ARG H H 45 8.708 8.708 8.893 -0.185 17842 6363 1 9 . 1 1 45 45 ALA N N 46 119.127 119.127 127.763 -8.636 17842 6364 1 9 . 1 1 45 45 ALA C C 46 175.693 175.693 175.231 0.462 17842 6365 1 9 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.058 -1.438 17842 6366 1 9 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.848 -0.066 17842 6367 1 9 . 1 1 45 45 ALA H H 46 8.419 8.419 9.095 -0.676 17842 6368 1 9 . 1 1 46 46 GLY N N 47 107.350 107.350 109.732 -2.382 17842 6369 1 9 . 1 1 46 46 GLY C C 47 171.353 171.353 172.011 -0.658 17842 6370 1 9 . 1 1 46 46 GLY CA C 47 45.630 45.630 44.436 1.194 17842 6371 1 9 . 1 1 46 46 GLY H H 47 7.819 7.819 8.859 -1.040 17842 6372 1 9 . 1 1 47 47 GLN N N 48 118.061 118.061 119.723 -1.662 17842 6373 1 9 . 1 1 47 47 GLN C C 48 173.671 173.671 174.741 -1.070 17842 6374 1 9 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.925 -0.560 17842 6375 1 9 . 1 1 47 47 GLN CB C 48 32.912 32.912 31.993 0.919 17842 6376 1 9 . 1 1 47 47 GLN H H 48 8.483 8.483 7.970 0.513 17842 6377 1 9 . 1 1 48 48 GLN N N 49 122.691 122.691 127.056 -4.365 17842 6378 1 9 . 1 1 48 48 GLN C C 49 173.291 173.291 174.596 -1.305 17842 6379 1 9 . 1 1 48 48 GLN CA C 49 54.593 54.593 56.588 -1.995 17842 6380 1 9 . 1 1 48 48 GLN CB C 49 30.750 30.750 31.290 -0.540 17842 6381 1 9 . 1 1 48 48 GLN H H 49 9.319 9.319 9.228 0.091 17842 6382 1 9 . 1 1 49 49 PHE N N 50 126.379 126.379 124.770 1.609 17842 6383 1 9 . 1 1 49 49 PHE C C 50 175.918 175.918 174.914 1.004 17842 6384 1 9 . 1 1 49 49 PHE CA C 50 55.013 55.013 56.379 -1.366 17842 6385 1 9 . 1 1 49 49 PHE CB C 50 39.974 39.974 42.652 -2.678 17842 6386 1 9 . 1 1 49 49 PHE H H 50 8.781 8.781 8.923 -0.142 17842 6387 1 9 . 1 1 50 50 GLU N N 51 121.087 121.087 118.931 2.156 17842 6388 1 9 . 1 1 50 50 GLU C C 51 178.452 178.452 176.523 1.929 17842 6389 1 9 . 1 1 50 50 GLU CA C 51 60.435 60.435 58.700 1.734 17842 6390 1 9 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.653 -0.967 17842 6391 1 9 . 1 1 50 50 GLU H H 51 8.975 8.975 8.340 0.635 17842 6392 1 9 . 1 1 51 51 GLN N N 52 111.198 111.198 118.006 -6.808 17842 6393 1 9 . 1 1 51 51 GLN C C 52 176.031 176.031 174.570 1.461 17842 6394 1 9 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.135 0.701 17842 6395 1 9 . 1 1 51 51 GLN CB C 52 28.617 28.617 30.176 -1.559 17842 6396 1 9 . 1 1 51 51 GLN H H 52 7.955 7.955 8.212 -0.257 17842 6397 1 9 . 1 1 52 52 GLY N N 53 110.800 110.800 105.852 4.948 17842 6398 1 9 . 1 1 52 52 GLY C C 53 169.076 169.076 172.117 -3.041 17842 6399 1 9 . 1 1 52 52 GLY CA C 53 45.303 45.303 44.545 0.758 17842 6400 1 9 . 1 1 52 52 GLY H H 53 6.696 6.696 7.593 -0.897 17842 6401 1 9 . 1 1 53 53 ARG N N 54 111.857 111.857 121.315 -9.458 17842 6402 1 9 . 1 1 53 53 ARG C C 54 172.397 172.397 173.639 -1.242 17842 6403 1 9 . 1 1 53 53 ARG CA C 54 54.227 54.227 54.065 0.162 17842 6404 1 9 . 1 1 53 53 ARG CB C 54 31.755 31.755 35.023 -3.268 17842 6405 1 9 . 1 1 53 53 ARG H H 54 8.216 8.216 8.968 -0.752 17842 6406 1 9 . 1 1 54 54 TYR N N 55 116.379 116.379 124.286 -7.907 17842 6407 1 9 . 1 1 54 54 TYR C C 55 175.461 175.461 174.353 1.108 17842 6408 1 9 . 1 1 54 54 TYR CA C 55 55.296 55.296 55.992 -0.696 17842 6409 1 9 . 1 1 54 54 TYR CB C 55 41.539 41.539 40.776 0.763 17842 6410 1 9 . 1 1 54 54 TYR H H 55 8.477 8.477 8.675 -0.198 17842 6411 1 9 . 1 1 55 55 TYR N N 56 114.651 114.651 123.393 -8.742 17842 6412 1 9 . 1 1 55 55 TYR C C 56 173.431 173.431 173.363 0.068 17842 6413 1 9 . 1 1 55 55 TYR CA C 56 55.886 55.886 56.563 -0.677 17842 6414 1 9 . 1 1 55 55 TYR CB C 56 37.595 37.595 39.607 -2.012 17842 6415 1 9 . 1 1 55 55 TYR H H 56 8.221 8.221 7.897 0.324 17842 6416 1 9 . 1 1 56 56 ALA N N 57 125.460 125.460 128.214 -2.754 17842 6417 1 9 . 1 1 56 56 ALA C C 57 175.737 175.737 175.902 -0.165 17842 6418 1 9 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.052 -0.904 17842 6419 1 9 . 1 1 56 56 ALA CB C 57 20.777 20.777 21.506 -0.729 17842 6420 1 9 . 1 1 56 56 ALA H H 57 9.034 9.034 8.109 0.925 17842 6421 1 9 . 1 1 57 57 THR N N 58 116.923 116.923 116.256 0.667 17842 6422 1 9 . 1 1 57 57 THR C C 58 173.462 173.462 173.662 -0.200 17842 6423 1 9 . 1 1 57 57 THR CA C 58 61.458 61.458 60.828 0.630 17842 6424 1 9 . 1 1 57 57 THR CB C 58 71.683 71.683 71.407 0.275 17842 6425 1 9 . 1 1 57 57 THR H H 58 8.907 8.907 7.998 0.909 17842 6426 1 9 . 1 1 58 58 TYR N N 59 126.784 126.784 126.294 0.490 17842 6427 1 9 . 1 1 58 58 TYR C C 59 173.954 173.954 175.284 -1.330 17842 6428 1 9 . 1 1 58 58 TYR CA C 59 55.682 55.682 56.465 -0.783 17842 6429 1 9 . 1 1 58 58 TYR CB C 59 41.320 41.320 38.275 3.045 17842 6430 1 9 . 1 1 58 58 TYR H H 59 8.974 8.974 8.313 0.661 17842 6431 1 9 . 1 1 59 59 GLU N N 60 124.211 124.211 122.926 1.285 17842 6432 1 9 . 1 1 59 59 GLU C C 60 173.989 173.989 175.398 -1.409 17842 6433 1 9 . 1 1 59 59 GLU CA C 60 52.924 52.924 55.028 -2.104 17842 6434 1 9 . 1 1 59 59 GLU CB C 60 33.742 33.742 32.326 1.416 17842 6435 1 9 . 1 1 59 59 GLU H H 60 8.049 8.049 8.518 -0.469 17842 6436 1 9 . 1 1 60 60 ASN N N 61 118.358 118.358 116.233 2.125 17842 6437 1 9 . 1 1 60 60 ASN C C 61 173.609 173.609 174.096 -0.487 17842 6438 1 9 . 1 1 60 60 ASN CA C 61 52.281 52.281 52.345 -0.064 17842 6439 1 9 . 1 1 60 60 ASN H H 61 8.155 8.155 8.119 0.036 17842 6440 1 9 . 1 1 61 61 ILE C C 62 174.902 174.902 175.086 -0.184 17842 6441 1 9 . 1 1 61 61 ILE CA C 62 60.980 60.980 59.933 1.047 17842 6442 1 9 . 1 1 61 61 ILE CB C 62 40.772 40.772 36.833 3.939 17842 6443 1 9 . 1 1 62 62 SER N N 63 121.368 121.368 122.845 -1.477 17842 6444 1 9 . 1 1 62 62 SER C C 63 173.027 173.027 173.481 -0.454 17842 6445 1 9 . 1 1 62 62 SER CA C 63 57.295 57.295 57.961 -0.666 17842 6446 1 9 . 1 1 62 62 SER CB C 63 64.306 64.306 63.495 0.811 17842 6447 1 9 . 1 1 62 62 SER H H 63 8.339 8.339 8.770 -0.431 17842 6448 1 9 . 1 1 63 63 ASP N N 64 124.300 124.300 127.108 -2.808 17842 6449 1 9 . 1 1 63 63 ASP C C 64 176.570 176.570 175.397 1.173 17842 6450 1 9 . 1 1 63 63 ASP CA C 64 53.291 53.291 54.268 -0.977 17842 6451 1 9 . 1 1 63 63 ASP CB C 64 42.484 42.484 44.724 -2.240 17842 6452 1 9 . 1 1 63 63 ASP H H 64 8.596 8.596 8.519 0.077 17842 6453 1 9 . 1 1 64 64 THR N N 65 116.756 116.756 117.002 -0.246 17842 6454 1 9 . 1 1 64 64 THR C C 65 175.975 175.975 175.993 -0.018 17842 6455 1 9 . 1 1 64 64 THR CA C 65 61.608 61.608 62.876 -1.268 17842 6456 1 9 . 1 1 64 64 THR CB C 65 68.856 68.856 69.623 -0.767 17842 6457 1 9 . 1 1 64 64 THR H H 65 8.581 8.581 8.354 0.227 17842 6458 1 9 . 1 1 65 65 SER N N 66 119.276 119.276 118.805 0.471 17842 6459 1 9 . 1 1 65 65 SER CA C 66 59.728 59.728 60.767 -1.039 17842 6460 1 9 . 1 1 65 65 SER CB C 66 63.514 63.514 62.849 0.665 17842 6461 1 9 . 1 1 65 65 SER H H 66 8.492 8.492 8.317 0.175 17842 6462 1 9 . 1 1 66 66 SER C C 67 175.122 175.122 174.225 0.897 17842 6463 1 9 . 1 1 66 66 SER CA C 67 58.554 58.554 58.367 0.187 17842 6464 1 9 . 1 1 67 67 GLY N N 68 110.266 110.266 110.145 0.121 17842 6465 1 9 . 1 1 67 67 GLY C C 68 173.832 173.832 173.238 0.594 17842 6466 1 9 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.391 0.816 17842 6467 1 9 . 1 1 67 67 GLY H H 68 8.184 8.184 7.707 0.477 17842 6468 1 9 . 1 1 68 68 ASN N N 69 118.584 118.584 120.627 -2.043 17842 6469 1 9 . 1 1 68 68 ASN C C 69 174.239 174.239 175.215 -0.976 17842 6470 1 9 . 1 1 68 68 ASN CA C 69 52.730 52.730 53.926 -1.196 17842 6471 1 9 . 1 1 68 68 ASN CB C 69 38.938 38.938 38.154 0.784 17842 6472 1 9 . 1 1 68 68 ASN H H 69 7.972 7.972 8.546 -0.574 17842 6473 1 9 . 1 1 72 72 GLN C C 73 173.610 173.610 174.423 -0.813 17842 6474 1 9 . 1 1 72 72 GLN CA C 73 53.449 53.449 54.396 -0.947 17842 6475 1 9 . 1 1 73 73 GLN N N 74 123.659 123.659 117.386 6.273 17842 6476 1 9 . 1 1 73 73 GLN C C 74 173.276 173.276 173.863 -0.587 17842 6477 1 9 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.800 -1.256 17842 6478 1 9 . 1 1 73 73 GLN CB C 74 34.344 34.344 34.480 -0.136 17842 6479 1 9 . 1 1 73 73 GLN H H 74 8.697 8.697 8.217 0.480 17842 6480 1 9 . 1 1 74 74 ASN N N 75 118.720 118.720 118.515 0.205 17842 6481 1 9 . 1 1 74 74 ASN C C 75 173.733 173.733 173.766 -0.033 17842 6482 1 9 . 1 1 74 74 ASN CA C 75 50.269 50.269 53.154 -2.885 17842 6483 1 9 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.089 -1.019 17842 6484 1 9 . 1 1 74 74 ASN H H 75 8.295 8.295 8.182 0.113 17842 6485 1 9 . 1 1 75 75 LEU N N 76 124.353 124.353 124.655 -0.302 17842 6486 1 9 . 1 1 75 75 LEU C C 76 174.267 174.267 174.896 -0.629 17842 6487 1 9 . 1 1 75 75 LEU CA C 76 53.916 53.916 54.592 -0.676 17842 6488 1 9 . 1 1 75 75 LEU CB C 76 44.633 44.633 43.711 0.922 17842 6489 1 9 . 1 1 75 75 LEU H H 76 8.847 8.847 8.511 0.336 17842 6490 1 9 . 1 1 76 76 LEU N N 77 124.437 124.437 124.949 -0.512 17842 6491 1 9 . 1 1 76 76 LEU C C 77 175.188 175.188 174.835 0.353 17842 6492 1 9 . 1 1 76 76 LEU CA C 77 52.934 52.934 53.918 -0.984 17842 6493 1 9 . 1 1 76 76 LEU CB C 77 45.115 45.115 45.103 0.012 17842 6494 1 9 . 1 1 76 76 LEU H H 77 9.222 9.222 7.881 1.341 17842 6495 1 9 . 1 1 77 77 GLY N N 78 107.288 107.288 110.532 -3.244 17842 6496 1 9 . 1 1 77 77 GLY C C 78 171.733 171.733 172.283 -0.550 17842 6497 1 9 . 1 1 77 77 GLY CA C 78 44.160 44.160 45.461 -1.300 17842 6498 1 9 . 1 1 77 77 GLY H H 78 9.132 9.132 7.699 1.433 17842 6499 1 9 . 1 1 78 78 SER N N 79 117.437 117.437 119.119 -1.682 17842 6500 1 9 . 1 1 78 78 SER C C 79 171.279 171.279 172.554 -1.275 17842 6501 1 9 . 1 1 78 78 SER CA C 79 57.272 57.272 57.029 0.243 17842 6502 1 9 . 1 1 78 78 SER CB C 79 65.596 65.596 66.488 -0.892 17842 6503 1 9 . 1 1 78 78 SER H H 79 8.210 8.210 7.966 0.244 17842 6504 1 9 . 1 1 79 79 TYR N N 80 122.901 122.901 123.596 -0.695 17842 6505 1 9 . 1 1 79 79 TYR C C 80 173.757 173.757 174.323 -0.566 17842 6506 1 9 . 1 1 79 79 TYR CA C 80 56.243 56.243 58.291 -2.048 17842 6507 1 9 . 1 1 79 79 TYR CB C 80 42.570 42.570 40.503 2.067 17842 6508 1 9 . 1 1 79 79 TYR H H 80 8.092 8.092 8.660 -0.568 17842 6509 1 9 . 1 1 80 80 ASP N N 81 122.808 122.808 125.614 -2.806 17842 6510 1 9 . 1 1 80 80 ASP C C 81 173.607 173.607 174.058 -0.451 17842 6511 1 9 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.821 -0.156 17842 6512 1 9 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.884 -0.097 17842 6513 1 9 . 1 1 80 80 ASP H H 81 8.268 8.268 8.489 -0.221 17842 6514 1 9 . 1 1 81 81 ALA N N 82 121.201 121.201 122.066 -0.865 17842 6515 1 9 . 1 1 81 81 ALA C C 82 177.094 177.094 176.456 0.638 17842 6516 1 9 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.638 -0.893 17842 6517 1 9 . 1 1 81 81 ALA CB C 82 21.511 21.511 21.021 0.490 17842 6518 1 9 . 1 1 81 81 ALA H H 82 8.931 8.931 8.236 0.695 17842 6519 1 9 . 1 1 82 82 PHE N N 83 116.305 116.305 122.729 -6.424 17842 6520 1 9 . 1 1 82 82 PHE C C 83 176.299 176.299 174.011 2.288 17842 6521 1 9 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.504 -2.840 17842 6522 1 9 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.304 0.817 17842 6523 1 9 . 1 1 82 82 PHE H H 83 7.404 7.404 8.317 -0.913 17842 6524 1 9 . 1 1 83 83 LEU N N 84 122.208 122.208 119.698 2.510 17842 6525 1 9 . 1 1 83 83 LEU C C 84 173.599 173.599 174.497 -0.898 17842 6526 1 9 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.661 -0.787 17842 6527 1 9 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.450 -1.085 17842 6528 1 9 . 1 1 83 83 LEU H H 84 9.049 9.049 7.793 1.256 17842 6529 1 9 . 1 1 84 84 PRO C C 85 175.877 175.877 176.095 -0.218 17842 6530 1 9 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.054 -0.013 17842 6531 1 9 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.604 -0.118 17842 6532 1 9 . 1 1 85 85 ILE N N 86 119.588 119.588 127.486 -7.898 17842 6533 1 9 . 1 1 85 85 ILE C C 86 175.749 175.749 175.769 -0.020 17842 6534 1 9 . 1 1 85 85 ILE CA C 86 59.267 59.267 59.614 -0.347 17842 6535 1 9 . 1 1 85 85 ILE CB C 86 39.835 39.835 36.946 2.889 17842 6536 1 9 . 1 1 85 85 ILE H H 86 8.205 8.205 7.850 0.355 17842 6537 1 9 . 1 1 86 86 GLY N N 87 112.396 112.396 115.499 -3.103 17842 6538 1 9 . 1 1 86 86 GLY C C 87 174.218 174.218 173.882 0.336 17842 6539 1 9 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.667 0.025 17842 6540 1 9 . 1 1 86 86 GLY H H 87 8.364 8.364 8.687 -0.323 17842 6541 1 9 . 1 1 87 87 ASP N N 88 122.109 122.109 119.405 2.704 17842 6542 1 9 . 1 1 87 87 ASP C C 88 175.839 175.839 174.599 1.240 17842 6543 1 9 . 1 1 87 87 ASP CA C 88 53.535 53.535 55.046 -1.511 17842 6544 1 9 . 1 1 87 87 ASP CB C 88 41.132 41.132 41.090 0.042 17842 6545 1 9 . 1 1 87 87 ASP H H 88 8.249 8.249 8.355 -0.106 17842 6546 1 9 . 1 1 88 88 ASN N N 89 116.308 116.308 117.411 -1.103 17842 6547 1 9 . 1 1 88 88 ASN C C 89 175.100 175.100 173.931 1.169 17842 6548 1 9 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.383 -0.460 17842 6549 1 9 . 1 1 88 88 ASN CB C 89 38.183 38.183 38.252 -0.069 17842 6550 1 9 . 1 1 88 88 ASN H H 89 8.449 8.449 8.521 -0.072 17842 6551 1 9 . 1 1 89 89 ASN N N 90 115.987 115.987 117.044 -1.057 17842 6552 1 9 . 1 1 89 89 ASN C C 90 173.909 173.909 175.214 -1.305 17842 6553 1 9 . 1 1 89 89 ASN CA C 90 54.386 54.386 53.718 0.668 17842 6554 1 9 . 1 1 89 89 ASN CB C 90 37.657 37.657 39.821 -2.164 17842 6555 1 9 . 1 1 89 89 ASN H H 90 8.477 8.477 8.142 0.335 17842 6556 1 9 . 1 1 90 90 THR N N 91 116.991 116.991 114.116 2.875 17842 6557 1 9 . 1 1 90 90 THR C C 91 173.763 173.763 173.713 0.050 17842 6558 1 9 . 1 1 90 90 THR CA C 91 62.170 62.170 61.789 0.381 17842 6559 1 9 . 1 1 90 90 THR CB C 91 68.706 68.706 69.874 -1.168 17842 6560 1 9 . 1 1 90 90 THR H H 91 7.600 7.600 8.088 -0.488 17842 6561 1 9 . 1 1 91 91 LYS N N 92 124.349 124.349 123.557 0.792 17842 6562 1 9 . 1 1 91 91 LYS C C 92 175.815 175.815 176.426 -0.611 17842 6563 1 9 . 1 1 91 91 LYS CA C 92 54.406 54.406 54.983 -0.577 17842 6564 1 9 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.424 1.074 17842 6565 1 9 . 1 1 91 91 LYS H H 92 9.249 9.249 8.596 0.653 17842 6566 1 9 . 1 1 92 92 LEU N N 93 123.462 123.462 129.489 -6.027 17842 6567 1 9 . 1 1 92 92 LEU C C 93 176.260 176.260 175.388 0.872 17842 6568 1 9 . 1 1 92 92 LEU CA C 93 53.829 53.829 54.811 -0.982 17842 6569 1 9 . 1 1 92 92 LEU CB C 93 43.614 43.614 42.207 1.407 17842 6570 1 9 . 1 1 92 92 LEU H H 93 8.650 8.650 8.126 0.524 17842 6571 1 9 . 1 1 93 93 PHE N N 94 119.497 119.497 122.942 -3.445 17842 6572 1 9 . 1 1 93 93 PHE C C 94 173.154 173.154 175.130 -1.976 17842 6573 1 9 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.367 0.769 17842 6574 1 9 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.089 2.004 17842 6575 1 9 . 1 1 93 93 PHE H H 94 8.485 8.485 7.291 1.194 17842 6576 1 9 . 1 1 94 94 GLY N N 95 105.945 105.945 106.705 -0.760 17842 6577 1 9 . 1 1 94 94 GLY C C 95 171.815 171.815 172.691 -0.876 17842 6578 1 9 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.532 -1.149 17842 6579 1 9 . 1 1 94 94 GLY H H 95 8.256 8.256 8.223 0.033 17842 6580 1 9 . 1 1 95 95 GLY N N 96 110.432 110.432 109.549 0.883 17842 6581 1 9 . 1 1 95 95 GLY C C 96 171.826 171.826 172.185 -0.359 17842 6582 1 9 . 1 1 95 95 GLY CA C 96 46.886 46.886 46.141 0.745 17842 6583 1 9 . 1 1 95 95 GLY H H 96 9.005 9.005 8.653 0.352 17842 6584 1 9 . 1 1 96 96 ALA N N 97 117.509 117.509 123.240 -5.731 17842 6585 1 9 . 1 1 96 96 ALA C C 97 176.928 176.928 175.941 0.987 17842 6586 1 9 . 1 1 96 96 ALA CA C 97 49.401 49.401 49.970 -0.569 17842 6587 1 9 . 1 1 96 96 ALA CB C 97 23.425 23.425 21.872 1.553 17842 6588 1 9 . 1 1 96 96 ALA H H 97 8.039 8.039 8.222 -0.183 17842 6589 1 9 . 1 1 97 97 THR N N 98 118.891 118.891 115.681 3.210 17842 6590 1 9 . 1 1 97 97 THR C C 98 172.492 172.492 173.123 -0.631 17842 6591 1 9 . 1 1 97 97 THR CA C 98 61.730 61.730 61.825 -0.095 17842 6592 1 9 . 1 1 97 97 THR CB C 98 73.046 73.046 71.294 1.752 17842 6593 1 9 . 1 1 97 97 THR H H 98 8.379 8.379 8.081 0.298 17842 6594 1 9 . 1 1 98 98 LEU N N 99 124.958 124.958 124.697 0.261 17842 6595 1 9 . 1 1 98 98 LEU C C 99 175.753 175.753 174.813 0.940 17842 6596 1 9 . 1 1 98 98 LEU CA C 99 53.474 53.474 55.011 -1.537 17842 6597 1 9 . 1 1 98 98 LEU CB C 99 47.243 47.243 45.861 1.382 17842 6598 1 9 . 1 1 98 98 LEU H H 99 8.880 8.880 8.927 -0.047 17842 6599 1 9 . 1 1 99 99 GLY N N 100 106.645 106.645 109.480 -2.835 17842 6600 1 9 . 1 1 99 99 GLY C C 100 169.886 169.886 172.429 -2.543 17842 6601 1 9 . 1 1 99 99 GLY CA C 100 46.631 46.631 43.170 3.461 17842 6602 1 9 . 1 1 99 99 GLY H H 100 8.635 8.635 7.400 1.235 17842 6603 1 9 . 1 1 100 100 LEU N N 101 121.823 121.823 119.985 1.838 17842 6604 1 9 . 1 1 100 100 LEU C C 101 174.876 174.876 174.798 0.078 17842 6605 1 9 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.377 -1.306 17842 6606 1 9 . 1 1 100 100 LEU CB C 101 46.646 46.646 46.717 -0.071 17842 6607 1 9 . 1 1 100 100 LEU H H 101 9.088 9.088 8.475 0.613 17842 6608 1 9 . 1 1 101 101 VAL N N 102 118.857 118.857 119.669 -0.812 17842 6609 1 9 . 1 1 101 101 VAL C C 102 174.015 174.015 174.010 0.005 17842 6610 1 9 . 1 1 101 101 VAL CA C 102 59.666 59.666 60.190 -0.524 17842 6611 1 9 . 1 1 101 101 VAL CB C 102 35.406 35.406 32.861 2.545 17842 6612 1 9 . 1 1 101 101 VAL H H 102 8.291 8.291 8.315 -0.024 17842 6613 1 9 . 1 1 102 102 LYS N N 103 126.552 126.552 127.117 -0.565 17842 6614 1 9 . 1 1 102 102 LYS C C 103 174.712 174.712 174.189 0.523 17842 6615 1 9 . 1 1 102 102 LYS CA C 103 54.433 54.433 55.251 -0.818 17842 6616 1 9 . 1 1 102 102 LYS CB C 103 35.733 35.733 36.533 -0.800 17842 6617 1 9 . 1 1 102 102 LYS H H 103 9.141 9.141 8.079 1.062 17842 6618 1 9 . 1 1 103 103 LEU N N 104 129.605 129.605 123.263 6.342 17842 6619 1 9 . 1 1 103 103 LEU C C 104 175.344 175.344 175.740 -0.396 17842 6620 1 9 . 1 1 103 103 LEU CA C 104 53.492 53.492 53.987 -0.495 17842 6621 1 9 . 1 1 103 103 LEU CB C 104 45.004 45.004 44.972 0.032 17842 6622 1 9 . 1 1 103 103 LEU H H 104 8.921 8.921 8.393 0.528 17842 6623 1 9 . 1 1 104 104 GLU C C 105 174.715 174.715 174.886 -0.171 17842 6624 1 9 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.404 -0.778 17842 6625 1 9 . 1 1 104 104 GLU CB C 105 33.055 33.055 31.974 1.081 17842 6626 1 9 . 1 1 105 105 GLN N N 106 121.991 121.991 121.976 0.015 17842 6627 1 9 . 1 1 105 105 GLN C C 106 175.002 175.002 175.300 -0.298 17842 6628 1 9 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.053 -0.374 17842 6629 1 9 . 1 1 105 105 GLN CB C 106 30.252 30.252 31.381 -1.129 17842 6630 1 9 . 1 1 105 105 GLN H H 106 8.532 8.532 8.471 0.061 17842 6631 1 9 . 1 1 106 106 ASP N N 107 123.884 123.884 124.339 -0.455 17842 6632 1 9 . 1 1 106 106 ASP C C 107 176.352 176.352 175.811 0.541 17842 6633 1 9 . 1 1 106 106 ASP CA C 107 54.108 54.108 54.901 -0.793 17842 6634 1 9 . 1 1 106 106 ASP CB C 107 41.448 41.448 40.852 0.596 17842 6635 1 9 . 1 1 106 106 ASP H H 107 8.414 8.414 8.620 -0.206 17842 6636 1 9 . 1 1 107 107 GLY N N 108 110.294 110.294 111.476 -1.182 17842 6637 1 9 . 1 1 107 107 GLY C C 108 174.111 174.111 173.252 0.859 17842 6638 1 9 . 1 1 107 107 GLY CA C 108 44.992 44.992 45.236 -0.244 17842 6639 1 9 . 1 1 107 107 GLY H H 108 8.226 8.226 8.288 -0.062 17842 6640 1 9 . 1 1 108 108 LYS N N 109 121.045 121.045 120.975 0.070 17842 6641 1 9 . 1 1 108 108 LYS C C 109 176.988 176.988 175.500 1.488 17842 6642 1 9 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.826 -0.583 17842 6643 1 9 . 1 1 108 108 LYS CB C 109 31.957 31.957 32.599 -0.642 17842 6644 1 9 . 1 1 108 108 LYS H H 109 8.130 8.130 8.473 -0.343 17842 6645 1 9 . 1 1 109 109 GLY N N 110 109.975 109.975 111.531 -1.556 17842 6646 1 9 . 1 1 109 109 GLY C C 110 173.856 173.856 172.793 1.063 17842 6647 1 9 . 1 1 109 109 GLY CA C 110 44.969 44.969 45.294 -0.325 17842 6648 1 9 . 1 1 109 109 GLY H H 110 8.313 8.313 8.216 0.096 17842 6649 1 9 . 1 1 110 110 PHE N N 111 119.873 119.873 122.899 -3.026 17842 6650 1 9 . 1 1 110 110 PHE C C 111 175.195 175.195 174.959 0.236 17842 6651 1 9 . 1 1 110 110 PHE CA C 111 57.334 57.334 57.510 -0.176 17842 6652 1 9 . 1 1 110 110 PHE CB C 111 39.311 39.311 39.072 0.239 17842 6653 1 9 . 1 1 110 110 PHE H H 111 7.848 7.848 8.448 -0.600 17842 6654 1 9 . 1 1 111 111 LYS N N 112 122.900 122.900 124.544 -1.644 17842 6655 1 9 . 1 1 111 111 LYS C C 112 175.898 175.898 175.985 -0.087 17842 6656 1 9 . 1 1 111 111 LYS CA C 112 55.928 55.928 56.075 -0.147 17842 6657 1 9 . 1 1 111 111 LYS CB C 112 32.741 32.741 33.991 -1.250 17842 6658 1 9 . 1 1 111 111 LYS H H 112 8.073 8.073 8.283 -0.210 17842 6659 1 9 . 1 1 112 112 ARG N N 113 123.302 123.302 120.694 2.608 17842 6660 1 9 . 1 1 112 112 ARG C C 113 175.762 175.762 175.028 0.734 17842 6661 1 9 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.148 -0.271 17842 6662 1 9 . 1 1 112 112 ARG CB C 113 30.678 30.678 31.625 -0.947 17842 6663 1 9 . 1 1 112 112 ARG H H 113 8.277 8.277 8.505 -0.228 17842 6664 1 9 . 1 1 113 113 ASP N N 114 122.193 122.193 119.494 2.699 17842 6665 1 9 . 1 1 113 113 ASP C C 114 175.875 175.875 175.543 0.332 17842 6666 1 9 . 1 1 113 113 ASP CA C 114 54.219 54.219 53.944 0.275 17842 6667 1 9 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.733 -0.454 17842 6668 1 9 . 1 1 113 113 ASP H H 114 8.300 8.300 8.091 0.209 17842 6669 1 9 . 1 1 114 114 SER N N 115 114.844 114.844 119.399 -4.555 17842 6670 1 9 . 1 1 114 114 SER C C 115 173.567 173.567 173.855 -0.288 17842 6671 1 9 . 1 1 114 114 SER CA C 115 57.538 57.538 59.217 -1.679 17842 6672 1 9 . 1 1 114 114 SER CB C 115 64.306 64.306 64.749 -0.443 17842 6673 1 9 . 1 1 114 114 SER H H 115 8.071 8.071 8.656 -0.585 17842 6674 1 9 . 1 1 115 115 ASP N N 116 122.371 122.371 121.299 1.072 17842 6675 1 9 . 1 1 115 115 ASP C C 116 175.096 175.096 174.395 0.701 17842 6676 1 9 . 1 1 115 115 ASP CA C 116 53.960 53.960 53.980 -0.020 17842 6677 1 9 . 1 1 115 115 ASP CB C 116 42.394 42.394 41.707 0.687 17842 6678 1 9 . 1 1 115 115 ASP H H 116 8.400 8.400 8.459 -0.059 17842 6679 1 9 . 1 1 116 116 VAL N N 117 120.462 120.462 122.168 -1.706 17842 6680 1 9 . 1 1 116 116 VAL C C 117 175.349 175.349 176.234 -0.885 17842 6681 1 9 . 1 1 116 116 VAL CA C 117 60.785 60.785 61.752 -0.967 17842 6682 1 9 . 1 1 116 116 VAL CB C 117 33.507 33.507 30.602 2.905 17842 6683 1 9 . 1 1 116 116 VAL H H 117 8.014 8.014 7.764 0.250 17842 6684 1 9 . 1 1 117 117 GLY N N 118 112.807 112.807 115.256 -2.449 17842 6685 1 9 . 1 1 117 117 GLY C C 118 172.079 172.079 172.488 -0.409 17842 6686 1 9 . 1 1 117 117 GLY CA C 118 43.255 43.255 43.541 -0.285 17842 6687 1 9 . 1 1 117 117 GLY H H 118 8.871 8.871 8.623 0.248 17842 6688 1 9 . 1 1 118 118 TYR N N 119 117.704 117.704 120.484 -2.780 17842 6689 1 9 . 1 1 118 118 TYR C C 119 175.024 175.024 174.352 0.672 17842 6690 1 9 . 1 1 118 118 TYR CA C 119 55.968 55.968 57.102 -1.134 17842 6691 1 9 . 1 1 118 118 TYR CB C 119 41.089 41.089 41.633 -0.544 17842 6692 1 9 . 1 1 118 118 TYR H H 119 8.406 8.406 8.124 0.282 17842 6693 1 9 . 1 1 119 119 ALA N N 120 122.050 122.050 126.323 -4.273 17842 6694 1 9 . 1 1 119 119 ALA C C 120 175.218 175.218 175.712 -0.494 17842 6695 1 9 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.927 -0.266 17842 6696 1 9 . 1 1 119 119 ALA CB C 120 23.187 23.187 21.203 1.984 17842 6697 1 9 . 1 1 119 119 ALA H H 120 8.605 8.605 8.043 0.562 17842 6698 1 9 . 1 1 120 120 ALA N N 121 119.839 119.839 125.153 -5.314 17842 6699 1 9 . 1 1 120 120 ALA C C 121 175.881 175.881 175.931 -0.050 17842 6700 1 9 . 1 1 120 120 ALA CA C 121 50.340 50.340 51.735 -1.395 17842 6701 1 9 . 1 1 120 120 ALA CB C 121 22.465 22.465 22.099 0.366 17842 6702 1 9 . 1 1 120 120 ALA H H 121 8.476 8.476 8.119 0.357 17842 6703 1 9 . 1 1 121 121 GLY N N 122 107.807 107.807 110.186 -2.379 17842 6704 1 9 . 1 1 121 121 GLY C C 122 171.191 171.191 172.083 -0.892 17842 6705 1 9 . 1 1 121 121 GLY CA C 122 46.065 46.065 46.177 -0.112 17842 6706 1 9 . 1 1 121 121 GLY H H 122 8.931 8.931 8.552 0.379 17842 6707 1 9 . 1 1 122 122 LEU N N 123 118.400 118.400 119.843 -1.443 17842 6708 1 9 . 1 1 122 122 LEU C C 123 174.684 174.684 174.059 0.625 17842 6709 1 9 . 1 1 122 122 LEU CA C 123 53.227 53.227 55.091 -1.864 17842 6710 1 9 . 1 1 122 122 LEU CB C 123 48.385 48.385 47.659 0.726 17842 6711 1 9 . 1 1 122 122 LEU H H 123 8.351 8.351 8.929 -0.578 17842 6712 1 9 . 1 1 123 123 GLN N N 124 113.455 113.455 119.281 -5.826 17842 6713 1 9 . 1 1 123 123 GLN C C 124 173.895 173.895 173.696 0.199 17842 6714 1 9 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.287 -0.283 17842 6715 1 9 . 1 1 123 123 GLN CB C 124 28.135 28.135 33.352 -5.217 17842 6716 1 9 . 1 1 123 123 GLN H H 124 8.159 8.159 8.171 -0.012 17842 6717 1 9 . 1 1 124 124 ALA N N 125 118.711 118.711 122.135 -3.424 17842 6718 1 9 . 1 1 124 124 ALA C C 125 174.962 174.962 174.747 0.215 17842 6719 1 9 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.396 -1.600 17842 6720 1 9 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.648 0.358 17842 6721 1 9 . 1 1 124 124 ALA H H 125 8.638 8.638 8.286 0.352 17842 6722 1 9 . 1 1 125 125 GLY N N 126 103.783 103.783 107.170 -3.387 17842 6723 1 9 . 1 1 125 125 GLY C C 126 170.390 170.390 171.041 -0.651 17842 6724 1 9 . 1 1 125 125 GLY CA C 126 46.410 46.410 44.819 1.591 17842 6725 1 9 . 1 1 125 125 GLY H H 126 7.103 7.103 7.497 -0.394 17842 6726 1 9 . 1 1 126 126 ILE N N 127 118.306 118.306 114.712 3.594 17842 6727 1 9 . 1 1 126 126 ILE C C 127 172.353 172.353 174.021 -1.668 17842 6728 1 9 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.397 -1.804 17842 6729 1 9 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.088 1.076 17842 6730 1 9 . 1 1 126 126 ILE H H 127 8.564 8.564 7.913 0.651 17842 6731 1 9 . 1 1 127 127 LEU N N 128 129.339 129.339 127.641 1.698 17842 6732 1 9 . 1 1 127 127 LEU C C 128 173.613 173.613 175.800 -2.187 17842 6733 1 9 . 1 1 127 127 LEU CA C 128 53.528 53.528 53.791 -0.263 17842 6734 1 9 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.322 3.482 17842 6735 1 9 . 1 1 127 127 LEU H H 128 9.236 9.236 8.288 0.948 17842 6736 1 9 . 1 1 128 128 GLN N N 129 126.801 126.801 127.234 -0.433 17842 6737 1 9 . 1 1 128 128 GLN C C 129 175.093 175.093 175.202 -0.109 17842 6738 1 9 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.690 -1.496 17842 6739 1 9 . 1 1 128 128 GLN CB C 129 30.947 30.947 30.696 0.251 17842 6740 1 9 . 1 1 128 128 GLN H H 129 9.352 9.352 8.908 0.444 17842 6741 1 9 . 1 1 129 129 GLU N N 130 126.822 126.822 125.514 1.308 17842 6742 1 9 . 1 1 129 129 GLU C C 130 176.651 176.651 175.655 0.996 17842 6743 1 9 . 1 1 129 129 GLU CA C 130 56.181 56.181 56.771 -0.590 17842 6744 1 9 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.036 -3.275 17842 6745 1 9 . 1 1 129 129 GLU H H 130 8.518 8.518 8.318 0.200 17842 6746 1 9 . 1 1 130 130 LEU N N 131 126.031 126.031 124.570 1.461 17842 6747 1 9 . 1 1 130 130 LEU C C 131 176.044 176.044 176.849 -0.805 17842 6748 1 9 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.603 -0.428 17842 6749 1 9 . 1 1 130 130 LEU CB C 131 43.855 43.855 44.139 -0.284 17842 6750 1 9 . 1 1 130 130 LEU H H 131 8.708 8.708 8.535 0.173 17842 6751 1 9 . 1 1 131 131 SER N N 132 113.049 113.049 113.196 -0.147 17842 6752 1 9 . 1 1 131 131 SER C C 132 174.092 174.092 173.529 0.563 17842 6753 1 9 . 1 1 131 131 SER CA C 132 55.993 55.993 57.984 -1.991 17842 6754 1 9 . 1 1 131 131 SER CB C 132 64.945 64.945 64.411 0.534 17842 6755 1 9 . 1 1 131 131 SER H H 132 8.282 8.282 7.609 0.673 17842 6756 1 9 . 1 1 132 132 LYS C C 133 176.346 176.346 175.461 0.885 17842 6757 1 9 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.174 2.323 17842 6758 1 9 . 1 1 132 132 LYS CB C 133 31.009 31.009 30.267 0.742 17842 6759 1 9 . 1 1 133 133 ASN N N 134 110.795 110.795 115.102 -4.307 17842 6760 1 9 . 1 1 133 133 ASN C C 134 173.897 173.897 172.934 0.963 17842 6761 1 9 . 1 1 133 133 ASN CA C 134 53.578 53.578 54.131 -0.553 17842 6762 1 9 . 1 1 133 133 ASN CB C 134 40.830 40.830 40.420 0.410 17842 6763 1 9 . 1 1 133 133 ASN H H 134 7.761 7.761 7.988 -0.227 17842 6764 1 9 . 1 1 134 134 ALA N N 135 122.181 122.181 122.067 0.114 17842 6765 1 9 . 1 1 134 134 ALA C C 135 176.250 176.250 175.856 0.394 17842 6766 1 9 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.414 -0.257 17842 6767 1 9 . 1 1 134 134 ALA CB C 135 22.133 22.133 19.965 2.168 17842 6768 1 9 . 1 1 134 134 ALA H H 135 7.562 7.562 7.881 -0.319 17842 6769 1 9 . 1 1 135 135 SER N N 136 114.617 114.617 117.742 -3.125 17842 6770 1 9 . 1 1 135 135 SER C C 136 172.507 172.507 173.313 -0.806 17842 6771 1 9 . 1 1 135 135 SER CA C 136 56.164 56.164 56.881 -0.717 17842 6772 1 9 . 1 1 135 135 SER CB C 136 66.255 66.255 66.726 -0.471 17842 6773 1 9 . 1 1 135 135 SER H H 136 8.717 8.717 7.972 0.745 17842 6774 1 9 . 1 1 136 136 ILE N N 137 114.495 114.495 120.964 -6.469 17842 6775 1 9 . 1 1 136 136 ILE C C 137 173.136 173.136 174.138 -1.002 17842 6776 1 9 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.329 -1.909 17842 6777 1 9 . 1 1 136 136 ILE CB C 137 42.700 42.700 42.187 0.513 17842 6778 1 9 . 1 1 136 136 ILE H H 137 8.592 8.592 8.593 -0.001 17842 6779 1 9 . 1 1 137 137 GLU N N 138 122.016 122.016 124.722 -2.706 17842 6780 1 9 . 1 1 137 137 GLU C C 138 173.792 173.792 175.618 -1.826 17842 6781 1 9 . 1 1 137 137 GLU CA C 138 53.537 53.537 54.509 -0.972 17842 6782 1 9 . 1 1 137 137 GLU CB C 138 35.118 35.118 32.120 2.998 17842 6783 1 9 . 1 1 137 137 GLU H H 138 8.902 8.902 8.753 0.149 17842 6784 1 9 . 1 1 138 138 GLY N N 139 107.847 107.847 110.098 -2.251 17842 6785 1 9 . 1 1 138 138 GLY C C 139 171.817 171.817 172.875 -1.058 17842 6786 1 9 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.377 -1.307 17842 6787 1 9 . 1 1 138 138 GLY H H 139 8.485 8.485 8.198 0.287 17842 6788 1 9 . 1 1 139 139 GLY N N 140 108.290 108.290 111.734 -3.444 17842 6789 1 9 . 1 1 139 139 GLY C C 140 169.172 169.172 171.877 -2.705 17842 6790 1 9 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.393 0.321 17842 6791 1 9 . 1 1 139 139 GLY H H 140 7.841 7.841 8.620 -0.779 17842 6792 1 9 . 1 1 140 140 TYR N N 141 119.674 119.674 117.253 2.421 17842 6793 1 9 . 1 1 140 140 TYR C C 141 173.643 173.643 173.340 0.303 17842 6794 1 9 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.955 -1.776 17842 6795 1 9 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.636 -0.492 17842 6796 1 9 . 1 1 140 140 TYR H H 141 8.726 8.726 8.928 -0.202 17842 6797 1 9 . 1 1 141 141 ARG N N 142 125.021 125.021 119.531 5.490 17842 6798 1 9 . 1 1 141 141 ARG C C 142 173.533 173.533 173.370 0.163 17842 6799 1 9 . 1 1 141 141 ARG CA C 142 53.813 53.813 55.013 -1.200 17842 6800 1 9 . 1 1 141 141 ARG CB C 142 33.239 33.239 34.510 -1.271 17842 6801 1 9 . 1 1 141 141 ARG H H 142 8.502 8.502 7.739 0.763 17842 6802 1 9 . 1 1 142 142 TYR N N 143 128.805 128.805 122.059 6.746 17842 6803 1 9 . 1 1 142 142 TYR C C 143 173.475 173.475 174.469 -0.994 17842 6804 1 9 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.479 -0.051 17842 6805 1 9 . 1 1 142 142 TYR CB C 143 41.642 41.642 40.005 1.637 17842 6806 1 9 . 1 1 142 142 TYR H H 143 8.978 8.978 8.908 0.070 17842 6807 1 9 . 1 1 143 143 LEU N N 144 125.513 125.513 118.916 6.597 17842 6808 1 9 . 1 1 143 143 LEU C C 144 175.370 175.370 174.544 0.826 17842 6809 1 9 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.133 -1.240 17842 6810 1 9 . 1 1 143 143 LEU CB C 144 45.924 45.924 46.064 -0.140 17842 6811 1 9 . 1 1 143 143 LEU H H 144 8.117 8.117 8.346 -0.229 17842 6812 1 9 . 1 1 144 144 ARG N N 145 122.193 122.193 116.233 5.960 17842 6813 1 9 . 1 1 144 144 ARG C C 145 175.452 175.452 174.752 0.700 17842 6814 1 9 . 1 1 144 144 ARG CA C 145 54.077 54.077 54.836 -0.759 17842 6815 1 9 . 1 1 144 144 ARG CB C 145 31.377 31.377 33.206 -1.829 17842 6816 1 9 . 1 1 144 144 ARG H H 145 8.810 8.810 8.546 0.264 17842 6817 1 9 . 1 1 145 145 THR C C 146 172.708 172.708 174.269 -1.561 17842 6818 1 9 . 1 1 145 145 THR CA C 146 59.117 59.117 61.107 -1.990 17842 6819 1 9 . 1 1 145 145 THR CB C 146 70.345 70.345 69.538 0.807 17842 6820 1 9 . 1 1 146 146 ASN N N 147 120.236 120.236 124.549 -4.313 17842 6821 1 9 . 1 1 146 146 ASN C C 147 175.341 175.341 175.254 0.087 17842 6822 1 9 . 1 1 146 146 ASN CA C 147 51.880 51.880 52.817 -0.937 17842 6823 1 9 . 1 1 146 146 ASN CB C 147 38.462 38.462 41.771 -3.309 17842 6824 1 9 . 1 1 146 146 ASN H H 147 8.259 8.259 8.906 -0.647 17842 6825 1 9 . 1 1 147 147 ALA N N 148 124.724 124.724 127.878 -3.154 17842 6826 1 9 . 1 1 147 147 ALA C C 148 176.378 176.378 178.156 -1.778 17842 6827 1 9 . 1 1 147 147 ALA CA C 148 52.179 52.179 54.529 -2.350 17842 6828 1 9 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.175 -0.549 17842 6829 1 9 . 1 1 147 147 ALA H H 148 8.256 8.256 8.780 -0.524 17842 6830 1 9 . 1 1 148 148 SER N N 149 115.670 115.670 110.429 5.241 17842 6831 1 9 . 1 1 148 148 SER C C 149 174.123 174.123 173.208 0.915 17842 6832 1 9 . 1 1 148 148 SER CA C 149 57.281 57.281 58.357 -1.076 17842 6833 1 9 . 1 1 148 148 SER CB C 149 64.685 64.685 63.208 1.477 17842 6834 1 9 . 1 1 148 148 SER H H 149 8.372 8.372 8.100 0.272 17842 6835 1 9 . 1 1 149 149 THR N N 150 115.292 115.292 113.963 1.329 17842 6836 1 9 . 1 1 149 149 THR C C 150 173.858 173.858 173.646 0.212 17842 6837 1 9 . 1 1 149 149 THR CA C 150 61.189 61.189 61.656 -0.467 17842 6838 1 9 . 1 1 149 149 THR CB C 150 69.105 69.105 70.656 -1.550 17842 6839 1 9 . 1 1 149 149 THR H H 150 8.228 8.228 7.541 0.687 17842 6840 1 9 . 1 1 150 150 GLU N N 151 123.244 123.244 119.980 3.264 17842 6841 1 9 . 1 1 150 150 GLU C C 151 176.121 176.121 176.254 -0.133 17842 6842 1 9 . 1 1 150 150 GLU CA C 151 56.002 56.002 56.824 -0.822 17842 6843 1 9 . 1 1 150 150 GLU CB C 151 29.931 29.931 30.822 -0.891 17842 6844 1 9 . 1 1 150 150 GLU H H 151 8.186 8.186 8.596 -0.410 17842 6845 1 9 . 1 1 151 151 MET N N 152 121.600 121.600 120.050 1.550 17842 6846 1 9 . 1 1 151 151 MET C C 152 175.810 175.810 175.144 0.666 17842 6847 1 9 . 1 1 151 151 MET CA C 152 55.254 55.254 55.897 -0.643 17842 6848 1 9 . 1 1 151 151 MET CB C 152 33.247 33.247 31.204 2.043 17842 6849 1 9 . 1 1 151 151 MET H H 152 8.248 8.248 8.246 0.002 17842 6850 1 9 . 1 1 152 152 THR N N 153 117.486 117.486 113.538 3.948 17842 6851 1 9 . 1 1 152 152 THR C C 153 172.907 172.907 173.586 -0.679 17842 6852 1 9 . 1 1 152 152 THR CA C 153 59.365 59.365 60.591 -1.226 17842 6853 1 9 . 1 1 152 152 THR CB C 153 69.366 69.366 69.487 -0.121 17842 6854 1 9 . 1 1 152 152 THR H H 153 8.113 8.113 7.697 0.416 17842 6855 1 9 . 1 1 155 155 GLY C C 156 174.620 174.620 174.827 -0.207 17842 6856 1 9 . 1 1 155 155 GLY CA C 156 45.280 45.280 45.282 -0.002 17842 6857 1 9 . 1 1 156 156 GLY N N 157 109.059 109.059 109.799 -0.740 17842 6858 1 9 . 1 1 156 156 GLY C C 157 173.801 173.801 174.331 -0.530 17842 6859 1 9 . 1 1 156 156 GLY CA C 157 44.929 44.929 46.127 -1.198 17842 6860 1 9 . 1 1 156 156 GLY H H 157 8.175 8.175 8.309 -0.134 17842 6861 1 9 . 1 1 157 157 ASN N N 158 118.630 118.630 117.238 1.392 17842 6862 1 9 . 1 1 157 157 ASN C C 158 175.025 175.025 176.210 -1.185 17842 6863 1 9 . 1 1 157 157 ASN CA C 158 52.791 52.791 54.139 -1.348 17842 6864 1 9 . 1 1 157 157 ASN CB C 158 38.532 38.532 40.377 -1.845 17842 6865 1 9 . 1 1 157 157 ASN H H 158 8.114 8.114 8.143 -0.029 17842 6866 1 9 . 1 1 158 158 LYS N N 159 121.755 121.755 118.667 3.088 17842 6867 1 9 . 1 1 158 158 LYS C C 159 176.361 176.361 175.507 0.854 17842 6868 1 9 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.715 -0.243 17842 6869 1 9 . 1 1 158 158 LYS CB C 159 32.403 32.403 34.455 -2.052 17842 6870 1 9 . 1 1 158 158 LYS H H 159 8.169 8.169 8.059 0.110 17842 6871 1 9 . 1 1 159 159 LEU N N 160 123.084 123.084 119.133 3.951 17842 6872 1 9 . 1 1 159 159 LEU C C 160 177.408 177.408 176.595 0.813 17842 6873 1 9 . 1 1 159 159 LEU CA C 160 55.162 55.162 55.678 -0.516 17842 6874 1 9 . 1 1 159 159 LEU CB C 160 42.690 42.690 44.250 -1.560 17842 6875 1 9 . 1 1 159 159 LEU H H 160 8.173 8.173 7.993 0.180 17842 6876 1 9 . 1 1 160 160 GLY N N 161 109.180 109.180 111.796 -2.616 17842 6877 1 9 . 1 1 160 160 GLY C C 161 173.574 173.574 173.457 0.117 17842 6878 1 9 . 1 1 160 160 GLY CA C 161 44.877 44.877 44.998 -0.121 17842 6879 1 9 . 1 1 160 160 GLY H H 161 8.117 8.117 8.587 -0.470 17842 6880 1 9 . 1 1 161 161 SER N N 162 115.719 115.719 114.614 1.105 17842 6881 1 9 . 1 1 161 161 SER C C 162 173.715 173.715 173.741 -0.026 17842 6882 1 9 . 1 1 161 161 SER CA C 162 57.965 57.965 57.742 0.223 17842 6883 1 9 . 1 1 161 161 SER CB C 162 63.856 63.856 65.716 -1.860 17842 6884 1 9 . 1 1 161 161 SER H H 162 8.064 8.064 7.855 0.209 17842 6885 1 9 . 1 1 162 162 LEU N N 163 123.433 123.433 125.467 -2.034 17842 6886 1 9 . 1 1 162 162 LEU C C 163 175.609 175.609 177.272 -1.663 17842 6887 1 9 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.935 -1.550 17842 6888 1 9 . 1 1 162 162 LEU CB C 163 43.046 43.046 43.321 -0.275 17842 6889 1 9 . 1 1 162 162 LEU H H 163 8.282 8.282 8.811 -0.529 17842 6890 1 9 . 1 1 163 163 ASP N N 164 122.223 122.223 117.727 4.496 17842 6891 1 9 . 1 1 163 163 ASP C C 164 175.122 175.122 175.858 -0.736 17842 6892 1 9 . 1 1 163 163 ASP CA C 164 53.400 53.400 55.345 -1.945 17842 6893 1 9 . 1 1 163 163 ASP CB C 164 41.200 41.200 41.125 0.075 17842 6894 1 9 . 1 1 163 163 ASP H H 164 8.356 8.356 8.152 0.204 17842 6895 1 9 . 1 1 166 166 SER C C 167 172.472 172.472 172.853 -0.381 17842 6896 1 9 . 1 1 166 166 SER CA C 167 56.760 56.760 57.329 -0.569 17842 6897 1 9 . 1 1 167 167 SER N N 168 115.939 115.939 115.368 0.571 17842 6898 1 9 . 1 1 167 167 SER C C 168 173.318 173.318 173.681 -0.363 17842 6899 1 9 . 1 1 167 167 SER CA C 168 56.763 56.763 57.295 -0.532 17842 6900 1 9 . 1 1 167 167 SER CB C 168 65.286 65.286 64.504 0.782 17842 6901 1 9 . 1 1 167 167 SER H H 168 8.678 8.678 8.633 0.045 17842 6902 1 9 . 1 1 168 168 SER C C 169 172.500 172.500 174.073 -1.573 17842 6903 1 9 . 1 1 168 168 SER CA C 169 56.569 56.569 58.178 -1.609 17842 6904 1 9 . 1 1 168 168 SER CB C 169 65.738 65.738 63.950 1.788 17842 6905 1 9 . 1 1 169 169 GLN N N 170 122.951 122.951 126.981 -4.030 17842 6906 1 9 . 1 1 169 169 GLN C C 170 174.697 174.697 174.654 0.043 17842 6907 1 9 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.862 -0.824 17842 6908 1 9 . 1 1 169 169 GLN CB C 170 32.383 32.383 33.085 -0.702 17842 6909 1 9 . 1 1 169 169 GLN H H 170 8.745 8.745 8.142 0.603 17842 6910 1 9 . 1 1 170 170 PHE N N 171 125.628 125.628 120.115 5.513 17842 6911 1 9 . 1 1 170 170 PHE C C 171 174.628 174.628 174.676 -0.048 17842 6912 1 9 . 1 1 170 170 PHE CA C 171 56.200 56.200 56.591 -0.391 17842 6913 1 9 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.691 -1.139 17842 6914 1 9 . 1 1 170 170 PHE H H 171 7.771 7.771 8.760 -0.989 17842 6915 1 9 . 1 1 171 171 TYR N N 172 121.558 121.558 121.945 -0.387 17842 6916 1 9 . 1 1 171 171 TYR C C 172 171.727 171.727 174.174 -2.447 17842 6917 1 9 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.340 -1.294 17842 6918 1 9 . 1 1 171 171 TYR CB C 172 42.439 42.439 41.948 0.491 17842 6919 1 9 . 1 1 171 171 TYR H H 172 8.696 8.696 9.135 -0.439 17842 6920 1 9 . 1 1 172 172 LEU N N 173 119.230 119.230 126.104 -6.874 17842 6921 1 9 . 1 1 172 172 LEU C C 173 176.352 176.352 174.986 1.366 17842 6922 1 9 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.701 -1.958 17842 6923 1 9 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.330 0.207 17842 6924 1 9 . 1 1 172 172 LEU H H 173 8.971 8.971 8.276 0.695 17842 6925 1 9 . 1 1 173 173 GLY N N 174 107.248 107.248 110.452 -3.204 17842 6926 1 9 . 1 1 173 173 GLY C C 174 170.680 170.680 172.084 -1.404 17842 6927 1 9 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.155 -1.235 17842 6928 1 9 . 1 1 173 173 GLY H H 174 9.085 9.085 9.095 -0.010 17842 6929 1 9 . 1 1 174 174 ALA N N 175 121.461 121.461 121.683 -0.222 17842 6930 1 9 . 1 1 174 174 ALA C C 175 174.546 174.546 175.571 -1.025 17842 6931 1 9 . 1 1 174 174 ALA CA C 175 50.312 50.312 49.953 0.359 17842 6932 1 9 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.275 -0.632 17842 6933 1 9 . 1 1 174 174 ALA H H 175 8.575 8.575 8.005 0.570 17842 6934 1 9 . 1 1 175 175 ASN N N 176 117.370 117.370 116.865 0.505 17842 6935 1 9 . 1 1 175 175 ASN C C 176 173.370 173.370 172.847 0.523 17842 6936 1 9 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.721 -2.122 17842 6937 1 9 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.982 -1.025 17842 6938 1 9 . 1 1 175 175 ASN H H 176 8.762 8.762 8.401 0.361 17842 6939 1 9 . 1 1 176 176 TYR N N 177 122.724 122.724 123.093 -0.369 17842 6940 1 9 . 1 1 176 176 TYR C C 177 173.924 173.924 175.987 -2.063 17842 6941 1 9 . 1 1 176 176 TYR CA C 177 56.438 56.438 57.060 -0.622 17842 6942 1 9 . 1 1 176 176 TYR CB C 177 42.401 42.401 40.261 2.140 17842 6943 1 9 . 1 1 176 176 TYR H H 177 9.570 9.570 8.742 0.828 17842 6944 1 9 . 1 1 177 177 LYS N N 178 127.067 127.067 124.198 2.869 17842 6945 1 9 . 1 1 177 177 LYS C C 178 174.336 174.336 174.876 -0.540 17842 6946 1 9 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.338 -1.095 17842 6947 1 9 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.609 0.342 17842 6948 1 9 . 1 1 177 177 LYS H H 178 8.284 8.284 8.369 -0.085 17842 6949 1 10 . 1 1 2 2 ASP N N 3 119.767 119.767 122.050 -2.283 17842 6950 1 10 . 1 1 2 2 ASP C C 3 175.809 175.809 174.317 1.492 17842 6951 1 10 . 1 1 2 2 ASP CA C 3 53.303 53.303 53.014 0.289 17842 6952 1 10 . 1 1 2 2 ASP CB C 3 42.915 42.915 45.790 -2.875 17842 6953 1 10 . 1 1 2 2 ASP H H 3 8.443 8.443 7.695 0.748 17842 6954 1 10 . 1 1 3 3 ASN N N 4 123.667 123.667 118.131 5.536 17842 6955 1 10 . 1 1 3 3 ASN C C 4 174.736 174.736 174.390 0.346 17842 6956 1 10 . 1 1 3 3 ASN CA C 4 52.911 52.911 52.735 0.176 17842 6957 1 10 . 1 1 3 3 ASN CB C 4 39.160 39.160 41.855 -2.695 17842 6958 1 10 . 1 1 3 3 ASN H H 4 8.923 8.923 8.810 0.113 17842 6959 1 10 . 1 1 4 4 PHE N N 5 118.447 118.447 118.050 0.397 17842 6960 1 10 . 1 1 4 4 PHE C C 5 172.331 172.331 172.982 -0.651 17842 6961 1 10 . 1 1 4 4 PHE CA C 5 56.052 56.052 56.217 -0.165 17842 6962 1 10 . 1 1 4 4 PHE CB C 5 42.863 42.863 42.284 0.579 17842 6963 1 10 . 1 1 4 4 PHE H H 5 8.910 8.910 8.822 0.088 17842 6964 1 10 . 1 1 5 5 VAL N N 6 116.195 116.195 117.687 -1.492 17842 6965 1 10 . 1 1 5 5 VAL C C 6 174.144 174.144 174.728 -0.584 17842 6966 1 10 . 1 1 5 5 VAL CA C 6 58.529 58.529 62.286 -3.757 17842 6967 1 10 . 1 1 5 5 VAL CB C 6 35.818 35.818 36.120 -0.302 17842 6968 1 10 . 1 1 5 5 VAL H H 6 8.903 8.903 9.088 -0.185 17842 6969 1 10 . 1 1 6 6 GLY N N 7 110.150 110.150 112.377 -2.227 17842 6970 1 10 . 1 1 6 6 GLY C C 7 170.825 170.825 171.606 -0.781 17842 6971 1 10 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.167 1.050 17842 6972 1 10 . 1 1 6 6 GLY H H 7 8.670 8.670 8.702 -0.032 17842 6973 1 10 . 1 1 7 7 LEU N N 8 120.059 120.059 119.690 0.369 17842 6974 1 10 . 1 1 7 7 LEU C C 8 175.596 175.596 174.723 0.873 17842 6975 1 10 . 1 1 7 7 LEU CA C 8 52.933 52.933 53.926 -0.993 17842 6976 1 10 . 1 1 7 7 LEU CB C 8 47.663 47.663 46.740 0.923 17842 6977 1 10 . 1 1 7 7 LEU H H 8 8.562 8.562 7.720 0.842 17842 6978 1 10 . 1 1 8 8 THR N N 9 112.180 112.180 111.806 0.374 17842 6979 1 10 . 1 1 8 8 THR C C 9 172.942 172.942 172.432 0.510 17842 6980 1 10 . 1 1 8 8 THR CA C 9 59.539 59.539 61.180 -1.641 17842 6981 1 10 . 1 1 8 8 THR CB C 9 70.735 70.735 70.823 -0.088 17842 6982 1 10 . 1 1 8 8 THR H H 9 9.114 9.114 7.593 1.521 17842 6983 1 10 . 1 1 9 9 TRP N N 10 121.476 121.476 124.058 -2.582 17842 6984 1 10 . 1 1 9 9 TRP C C 10 174.622 174.622 175.901 -1.279 17842 6985 1 10 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.459 0.959 17842 6986 1 10 . 1 1 9 9 TRP CB C 10 31.877 31.877 32.136 -0.259 17842 6987 1 10 . 1 1 9 9 TRP H H 10 9.022 9.022 8.210 0.812 17842 6988 1 10 . 1 1 10 10 GLY N N 11 112.750 112.750 111.203 1.547 17842 6989 1 10 . 1 1 10 10 GLY C C 11 171.655 171.655 172.330 -0.675 17842 6990 1 10 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.680 1.260 17842 6991 1 10 . 1 1 10 10 GLY H H 11 7.798 7.798 8.425 -0.627 17842 6992 1 10 . 1 1 11 11 GLU N N 12 117.292 117.292 125.589 -8.297 17842 6993 1 10 . 1 1 11 11 GLU C C 12 175.810 175.810 175.956 -0.146 17842 6994 1 10 . 1 1 11 11 GLU CA C 12 53.743 53.743 54.873 -1.131 17842 6995 1 10 . 1 1 11 11 GLU CB C 12 31.361 31.361 32.343 -0.982 17842 6996 1 10 . 1 1 11 11 GLU H H 12 8.223 8.223 8.908 -0.685 17842 6997 1 10 . 1 1 12 12 THR N N 13 123.477 123.477 123.309 0.168 17842 6998 1 10 . 1 1 12 12 THR C C 13 174.233 174.233 173.857 0.376 17842 6999 1 10 . 1 1 12 12 THR CA C 13 61.872 61.872 63.216 -1.344 17842 7000 1 10 . 1 1 12 12 THR CB C 13 69.374 69.374 69.470 -0.096 17842 7001 1 10 . 1 1 12 12 THR H H 13 8.722 8.722 8.435 0.287 17842 7002 1 10 . 1 1 13 13 SER N N 14 122.220 122.220 121.626 0.594 17842 7003 1 10 . 1 1 13 13 SER C C 14 173.577 173.577 173.356 0.221 17842 7004 1 10 . 1 1 13 13 SER CA C 14 56.934 56.934 58.526 -1.591 17842 7005 1 10 . 1 1 13 13 SER CB C 14 64.249 64.249 63.888 0.361 17842 7006 1 10 . 1 1 13 13 SER H H 14 9.225 9.225 8.685 0.540 17842 7007 1 10 . 1 1 14 14 ASN N N 15 125.159 125.159 123.300 1.859 17842 7008 1 10 . 1 1 14 14 ASN C C 15 174.673 174.673 174.470 0.203 17842 7009 1 10 . 1 1 14 14 ASN CA C 15 51.888 51.888 53.404 -1.516 17842 7010 1 10 . 1 1 14 14 ASN CB C 15 39.777 39.777 39.248 0.529 17842 7011 1 10 . 1 1 14 14 ASN H H 15 8.745 8.745 8.664 0.081 17842 7012 1 10 . 1 1 15 15 ASN N N 16 120.330 120.330 119.403 0.927 17842 7013 1 10 . 1 1 15 15 ASN C C 16 175.886 175.886 175.146 0.740 17842 7014 1 10 . 1 1 15 15 ASN CA C 16 52.780 52.780 52.938 -0.158 17842 7015 1 10 . 1 1 15 15 ASN CB C 16 38.595 38.595 38.989 -0.394 17842 7016 1 10 . 1 1 15 15 ASN H H 16 8.494 8.494 7.912 0.582 17842 7017 1 10 . 1 1 20 20 LYS C C 21 176.705 176.705 175.882 0.823 17842 7018 1 10 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.280 0.403 17842 7019 1 10 . 1 1 21 21 SER N N 22 115.966 115.966 114.658 1.308 17842 7020 1 10 . 1 1 21 21 SER C C 22 174.564 174.564 172.592 1.972 17842 7021 1 10 . 1 1 21 21 SER CA C 22 58.149 58.149 57.781 0.368 17842 7022 1 10 . 1 1 21 21 SER CB C 22 63.308 63.308 64.295 -0.987 17842 7023 1 10 . 1 1 21 21 SER H H 22 8.053 8.053 8.249 -0.196 17842 7024 1 10 . 1 1 22 22 LEU N N 23 123.751 123.751 125.622 -1.871 17842 7025 1 10 . 1 1 22 22 LEU C C 23 176.968 176.968 175.467 1.501 17842 7026 1 10 . 1 1 22 22 LEU CA C 23 55.269 55.269 55.772 -0.503 17842 7027 1 10 . 1 1 22 22 LEU CB C 23 42.334 42.334 43.673 -1.339 17842 7028 1 10 . 1 1 22 22 LEU H H 23 8.006 8.006 8.529 -0.523 17842 7029 1 10 . 1 1 23 23 ASN N N 24 118.937 118.937 121.673 -2.736 17842 7030 1 10 . 1 1 23 23 ASN C C 24 175.119 175.119 176.057 -0.938 17842 7031 1 10 . 1 1 23 23 ASN CA C 24 52.993 52.993 53.579 -0.586 17842 7032 1 10 . 1 1 23 23 ASN CB C 24 38.255 38.255 39.715 -1.460 17842 7033 1 10 . 1 1 23 23 ASN H H 24 8.136 8.136 8.672 -0.536 17842 7034 1 10 . 1 1 24 24 ARG N N 25 121.500 121.500 119.060 2.440 17842 7035 1 10 . 1 1 24 24 ARG C C 25 175.849 175.849 175.629 0.220 17842 7036 1 10 . 1 1 24 24 ARG CA C 25 56.368 56.368 56.205 0.163 17842 7037 1 10 . 1 1 24 24 ARG CB C 25 30.366 30.366 31.377 -1.010 17842 7038 1 10 . 1 1 24 24 ARG H H 25 8.097 8.097 8.437 -0.340 17842 7039 1 10 . 1 1 25 25 ASN N N 26 119.196 119.196 119.343 -0.147 17842 7040 1 10 . 1 1 25 25 ASN C C 26 175.122 175.122 174.728 0.394 17842 7041 1 10 . 1 1 25 25 ASN CA C 26 53.061 53.061 52.485 0.576 17842 7042 1 10 . 1 1 25 25 ASN CB C 26 38.291 38.291 39.345 -1.054 17842 7043 1 10 . 1 1 25 25 ASN H H 26 8.278 8.278 8.034 0.244 17842 7044 1 10 . 1 1 26 26 LEU N N 27 122.352 122.352 122.487 -0.135 17842 7045 1 10 . 1 1 26 26 LEU C C 27 176.903 176.903 176.416 0.487 17842 7046 1 10 . 1 1 26 26 LEU CA C 27 55.326 55.326 55.102 0.224 17842 7047 1 10 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.777 -0.591 17842 7048 1 10 . 1 1 26 26 LEU H H 27 7.992 7.992 8.305 -0.313 17842 7049 1 10 . 1 1 27 27 ASN N N 28 118.444 118.444 119.584 -1.140 17842 7050 1 10 . 1 1 27 27 ASN C C 28 174.754 174.754 174.384 0.370 17842 7051 1 10 . 1 1 27 27 ASN CA C 28 52.960 52.960 52.889 0.070 17842 7052 1 10 . 1 1 27 27 ASN CB C 28 38.419 38.419 39.241 -0.822 17842 7053 1 10 . 1 1 27 27 ASN H H 28 8.216 8.216 8.423 -0.207 17842 7054 1 10 . 1 1 28 28 SER N N 29 116.471 116.471 117.999 -1.528 17842 7055 1 10 . 1 1 28 28 SER C C 29 172.778 172.778 173.253 -0.475 17842 7056 1 10 . 1 1 28 28 SER CA C 29 55.982 55.982 55.830 0.152 17842 7057 1 10 . 1 1 28 28 SER CB C 29 63.179 63.179 63.334 -0.155 17842 7058 1 10 . 1 1 28 28 SER H H 29 7.833 7.833 8.447 -0.614 17842 7059 1 10 . 1 1 29 29 PRO C C 30 176.535 176.535 176.403 0.132 17842 7060 1 10 . 1 1 29 29 PRO CA C 30 63.458 63.458 62.512 0.946 17842 7061 1 10 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.306 -0.634 17842 7062 1 10 . 1 1 30 30 ASN N N 31 118.189 118.189 116.905 1.284 17842 7063 1 10 . 1 1 30 30 ASN C C 31 175.075 175.075 175.457 -0.382 17842 7064 1 10 . 1 1 30 30 ASN CA C 31 53.051 53.051 54.228 -1.177 17842 7065 1 10 . 1 1 30 30 ASN CB C 31 38.277 38.277 38.805 -0.528 17842 7066 1 10 . 1 1 30 30 ASN H H 31 8.231 8.231 8.457 -0.226 17842 7067 1 10 . 1 1 31 31 LEU N N 32 122.838 122.838 122.636 0.202 17842 7068 1 10 . 1 1 31 31 LEU C C 32 176.800 176.800 175.981 0.819 17842 7069 1 10 . 1 1 31 31 LEU CA C 32 55.107 55.107 54.788 0.319 17842 7070 1 10 . 1 1 31 31 LEU CB C 32 42.291 42.291 42.840 -0.549 17842 7071 1 10 . 1 1 31 31 LEU H H 32 8.011 8.011 7.779 0.232 17842 7072 1 10 . 1 1 32 32 ASP N N 33 120.740 120.740 122.858 -2.118 17842 7073 1 10 . 1 1 32 32 ASP C C 33 175.863 175.863 176.431 -0.568 17842 7074 1 10 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.651 -0.320 17842 7075 1 10 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.763 -1.005 17842 7076 1 10 . 1 1 32 32 ASP H H 33 8.151 8.151 8.601 -0.450 17842 7077 1 10 . 1 1 33 33 LYS N N 34 120.746 120.746 122.513 -1.767 17842 7078 1 10 . 1 1 33 33 LYS C C 34 175.912 175.912 175.609 0.303 17842 7079 1 10 . 1 1 33 33 LYS CA C 34 55.865 55.865 55.537 0.328 17842 7080 1 10 . 1 1 33 33 LYS CB C 34 32.738 32.738 32.112 0.626 17842 7081 1 10 . 1 1 33 33 LYS H H 34 7.933 7.933 8.214 -0.281 17842 7082 1 10 . 1 1 34 34 VAL N N 35 121.590 121.590 124.788 -3.198 17842 7083 1 10 . 1 1 34 34 VAL C C 35 175.691 175.691 175.069 0.622 17842 7084 1 10 . 1 1 34 34 VAL CA C 35 62.186 62.186 61.371 0.815 17842 7085 1 10 . 1 1 34 34 VAL CB C 35 32.591 32.591 30.534 2.057 17842 7086 1 10 . 1 1 34 34 VAL H H 35 7.995 7.995 8.413 -0.418 17842 7087 1 10 . 1 1 35 35 ILE N N 36 124.025 124.025 121.355 2.670 17842 7088 1 10 . 1 1 35 35 ILE C C 36 175.266 175.266 175.807 -0.541 17842 7089 1 10 . 1 1 35 35 ILE CA C 36 60.495 60.495 61.453 -0.958 17842 7090 1 10 . 1 1 35 35 ILE CB C 36 38.489 38.489 40.481 -1.992 17842 7091 1 10 . 1 1 35 35 ILE H H 36 8.034 8.034 7.744 0.290 17842 7092 1 10 . 1 1 36 36 ASP N N 37 125.860 125.860 125.985 -0.125 17842 7093 1 10 . 1 1 36 36 ASP C C 37 175.014 175.014 176.303 -1.289 17842 7094 1 10 . 1 1 36 36 ASP CA C 37 53.719 53.719 54.119 -0.400 17842 7095 1 10 . 1 1 36 36 ASP CB C 37 41.755 41.755 41.058 0.697 17842 7096 1 10 . 1 1 36 36 ASP H H 37 8.190 8.190 8.722 -0.532 17842 7097 1 10 . 1 1 37 37 ASN N N 38 120.770 120.770 117.899 2.871 17842 7098 1 10 . 1 1 37 37 ASN C C 38 174.821 174.821 174.489 0.332 17842 7099 1 10 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.762 -0.605 17842 7100 1 10 . 1 1 37 37 ASN CB C 38 38.663 38.663 38.864 -0.201 17842 7101 1 10 . 1 1 37 37 ASN H H 38 8.334 8.334 8.300 0.034 17842 7102 1 10 . 1 1 38 38 THR N N 39 115.976 115.976 110.765 5.211 17842 7103 1 10 . 1 1 38 38 THR C C 39 175.226 175.226 174.367 0.859 17842 7104 1 10 . 1 1 38 38 THR CA C 39 62.215 62.215 61.623 0.591 17842 7105 1 10 . 1 1 38 38 THR CB C 39 69.618 69.618 69.849 -0.231 17842 7106 1 10 . 1 1 38 38 THR H H 39 8.508 8.508 8.279 0.229 17842 7107 1 10 . 1 1 39 39 GLY N N 40 115.818 115.818 110.741 5.077 17842 7108 1 10 . 1 1 39 39 GLY C C 40 172.862 172.862 172.980 -0.118 17842 7109 1 10 . 1 1 39 39 GLY CA C 40 46.168 46.168 44.609 1.559 17842 7110 1 10 . 1 1 39 39 GLY H H 40 8.819 8.819 8.239 0.580 17842 7111 1 10 . 1 1 40 40 THR N N 41 119.787 119.787 115.229 4.558 17842 7112 1 10 . 1 1 40 40 THR C C 41 172.914 172.914 174.308 -1.394 17842 7113 1 10 . 1 1 40 40 THR CA C 41 61.321 61.321 61.104 0.217 17842 7114 1 10 . 1 1 40 40 THR CB C 41 71.499 71.499 70.291 1.208 17842 7115 1 10 . 1 1 40 40 THR H H 41 8.117 8.117 7.957 0.160 17842 7116 1 10 . 1 1 41 41 TRP N N 42 128.090 128.090 128.889 -0.799 17842 7117 1 10 . 1 1 41 41 TRP C C 42 174.627 174.627 176.671 -2.044 17842 7118 1 10 . 1 1 41 41 TRP CA C 42 55.122 55.122 55.952 -0.830 17842 7119 1 10 . 1 1 41 41 TRP CB C 42 31.905 31.905 30.098 1.807 17842 7120 1 10 . 1 1 41 41 TRP H H 42 8.178 8.178 8.904 -0.726 17842 7121 1 10 . 1 1 42 42 GLY N N 43 109.883 109.883 111.695 -1.812 17842 7122 1 10 . 1 1 42 42 GLY C C 43 172.317 172.317 172.035 0.282 17842 7123 1 10 . 1 1 42 42 GLY CA C 43 44.176 44.176 44.434 -0.258 17842 7124 1 10 . 1 1 42 42 GLY H H 43 8.892 8.892 8.372 0.520 17842 7125 1 10 . 1 1 43 43 ILE N N 44 118.005 118.005 119.323 -1.318 17842 7126 1 10 . 1 1 43 43 ILE C C 44 173.071 173.071 173.264 -0.193 17842 7127 1 10 . 1 1 43 43 ILE CA C 44 58.606 58.606 58.867 -0.261 17842 7128 1 10 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.909 0.221 17842 7129 1 10 . 1 1 43 43 ILE H H 44 8.879 8.879 7.717 1.162 17842 7130 1 10 . 1 1 44 44 ARG N N 45 120.855 120.855 122.874 -2.019 17842 7131 1 10 . 1 1 44 44 ARG C C 45 174.942 174.942 174.326 0.616 17842 7132 1 10 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.198 -1.309 17842 7133 1 10 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.630 -0.678 17842 7134 1 10 . 1 1 44 44 ARG H H 45 8.708 8.708 8.875 -0.167 17842 7135 1 10 . 1 1 45 45 ALA N N 46 119.127 119.127 126.833 -7.706 17842 7136 1 10 . 1 1 45 45 ALA C C 46 175.693 175.693 174.897 0.796 17842 7137 1 10 . 1 1 45 45 ALA CA C 46 50.620 50.620 51.921 -1.301 17842 7138 1 10 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.562 0.220 17842 7139 1 10 . 1 1 45 45 ALA H H 46 8.419 8.419 8.202 0.217 17842 7140 1 10 . 1 1 46 46 GLY N N 47 107.350 107.350 109.436 -2.086 17842 7141 1 10 . 1 1 46 46 GLY C C 47 171.353 171.353 171.393 -0.040 17842 7142 1 10 . 1 1 46 46 GLY CA C 47 45.630 45.630 45.840 -0.210 17842 7143 1 10 . 1 1 46 46 GLY H H 47 7.819 7.819 8.519 -0.700 17842 7144 1 10 . 1 1 47 47 GLN N N 48 118.061 118.061 118.574 -0.513 17842 7145 1 10 . 1 1 47 47 GLN C C 48 173.671 173.671 173.720 -0.049 17842 7146 1 10 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.352 0.013 17842 7147 1 10 . 1 1 47 47 GLN CB C 48 32.912 32.912 32.596 0.316 17842 7148 1 10 . 1 1 47 47 GLN H H 48 8.483 8.483 8.193 0.290 17842 7149 1 10 . 1 1 48 48 GLN N N 49 122.691 122.691 119.923 2.768 17842 7150 1 10 . 1 1 48 48 GLN C C 49 173.291 173.291 174.739 -1.448 17842 7151 1 10 . 1 1 48 48 GLN CA C 49 54.593 54.593 54.475 0.118 17842 7152 1 10 . 1 1 48 48 GLN CB C 49 30.750 30.750 30.577 0.173 17842 7153 1 10 . 1 1 48 48 GLN H H 49 9.319 9.319 8.904 0.415 17842 7154 1 10 . 1 1 49 49 PHE N N 50 126.379 126.379 126.148 0.231 17842 7155 1 10 . 1 1 49 49 PHE C C 50 175.918 175.918 177.077 -1.159 17842 7156 1 10 . 1 1 49 49 PHE CA C 50 55.013 55.013 57.108 -2.095 17842 7157 1 10 . 1 1 49 49 PHE CB C 50 39.974 39.974 39.988 -0.014 17842 7158 1 10 . 1 1 49 49 PHE H H 50 8.781 8.781 8.843 -0.062 17842 7159 1 10 . 1 1 50 50 GLU N N 51 121.087 121.087 119.235 1.852 17842 7160 1 10 . 1 1 50 50 GLU C C 51 178.452 178.452 176.697 1.755 17842 7161 1 10 . 1 1 50 50 GLU CA C 51 60.435 60.435 58.679 1.756 17842 7162 1 10 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.372 -0.685 17842 7163 1 10 . 1 1 50 50 GLU H H 51 8.975 8.975 8.940 0.035 17842 7164 1 10 . 1 1 51 51 GLN N N 52 111.198 111.198 118.167 -6.969 17842 7165 1 10 . 1 1 51 51 GLN C C 52 176.031 176.031 174.900 1.131 17842 7166 1 10 . 1 1 51 51 GLN CA C 52 55.836 55.836 54.644 1.192 17842 7167 1 10 . 1 1 51 51 GLN CB C 52 28.617 28.617 28.768 -0.151 17842 7168 1 10 . 1 1 51 51 GLN H H 52 7.955 7.955 8.092 -0.137 17842 7169 1 10 . 1 1 52 52 GLY N N 53 110.800 110.800 107.469 3.331 17842 7170 1 10 . 1 1 52 52 GLY C C 53 169.076 169.076 171.630 -2.554 17842 7171 1 10 . 1 1 52 52 GLY CA C 53 45.303 45.303 45.424 -0.121 17842 7172 1 10 . 1 1 52 52 GLY H H 53 6.696 6.696 7.426 -0.730 17842 7173 1 10 . 1 1 53 53 ARG N N 54 111.857 111.857 120.544 -8.687 17842 7174 1 10 . 1 1 53 53 ARG C C 54 172.397 172.397 174.220 -1.823 17842 7175 1 10 . 1 1 53 53 ARG CA C 54 54.227 54.227 55.463 -1.236 17842 7176 1 10 . 1 1 53 53 ARG CB C 54 31.755 31.755 33.915 -2.160 17842 7177 1 10 . 1 1 53 53 ARG H H 54 8.216 8.216 8.605 -0.389 17842 7178 1 10 . 1 1 54 54 TYR N N 55 116.379 116.379 124.811 -8.432 17842 7179 1 10 . 1 1 54 54 TYR C C 55 175.461 175.461 175.416 0.045 17842 7180 1 10 . 1 1 54 54 TYR CA C 55 55.296 55.296 54.589 0.707 17842 7181 1 10 . 1 1 54 54 TYR CB C 55 41.539 41.539 41.906 -0.367 17842 7182 1 10 . 1 1 54 54 TYR H H 55 8.477 8.477 9.379 -0.902 17842 7183 1 10 . 1 1 55 55 TYR N N 56 114.651 114.651 114.378 0.273 17842 7184 1 10 . 1 1 55 55 TYR C C 56 173.431 173.431 172.862 0.569 17842 7185 1 10 . 1 1 55 55 TYR CA C 56 55.886 55.886 57.301 -1.415 17842 7186 1 10 . 1 1 55 55 TYR CB C 56 37.595 37.595 39.021 -1.426 17842 7187 1 10 . 1 1 55 55 TYR H H 56 8.221 8.221 8.065 0.156 17842 7188 1 10 . 1 1 56 56 ALA N N 57 125.460 125.460 126.021 -0.561 17842 7189 1 10 . 1 1 56 56 ALA C C 57 175.737 175.737 176.027 -0.290 17842 7190 1 10 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.302 -1.154 17842 7191 1 10 . 1 1 56 56 ALA CB C 57 20.777 20.777 20.853 -0.076 17842 7192 1 10 . 1 1 56 56 ALA H H 57 9.034 9.034 8.454 0.580 17842 7193 1 10 . 1 1 57 57 THR N N 58 116.923 116.923 118.316 -1.393 17842 7194 1 10 . 1 1 57 57 THR C C 58 173.462 173.462 173.593 -0.131 17842 7195 1 10 . 1 1 57 57 THR CA C 58 61.458 61.458 59.983 1.475 17842 7196 1 10 . 1 1 57 57 THR CB C 58 71.683 71.683 70.763 0.920 17842 7197 1 10 . 1 1 57 57 THR H H 58 8.907 8.907 8.645 0.262 17842 7198 1 10 . 1 1 58 58 TYR N N 59 126.784 126.784 127.637 -0.853 17842 7199 1 10 . 1 1 58 58 TYR C C 59 173.954 173.954 175.223 -1.269 17842 7200 1 10 . 1 1 58 58 TYR CA C 59 55.682 55.682 55.192 0.490 17842 7201 1 10 . 1 1 58 58 TYR CB C 59 41.320 41.320 38.249 3.071 17842 7202 1 10 . 1 1 58 58 TYR H H 59 8.974 8.974 7.895 1.079 17842 7203 1 10 . 1 1 59 59 GLU N N 60 124.211 124.211 122.331 1.880 17842 7204 1 10 . 1 1 59 59 GLU C C 60 173.989 173.989 175.832 -1.843 17842 7205 1 10 . 1 1 59 59 GLU CA C 60 52.924 52.924 55.525 -2.601 17842 7206 1 10 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.440 0.302 17842 7207 1 10 . 1 1 59 59 GLU H H 60 8.049 8.049 9.366 -1.317 17842 7208 1 10 . 1 1 60 60 ASN N N 61 118.358 118.358 116.484 1.874 17842 7209 1 10 . 1 1 60 60 ASN C C 61 173.609 173.609 174.024 -0.415 17842 7210 1 10 . 1 1 60 60 ASN CA C 61 52.281 52.281 52.453 -0.172 17842 7211 1 10 . 1 1 60 60 ASN H H 61 8.155 8.155 8.405 -0.250 17842 7212 1 10 . 1 1 61 61 ILE C C 62 174.902 174.902 175.716 -0.814 17842 7213 1 10 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.869 0.111 17842 7214 1 10 . 1 1 61 61 ILE CB C 62 40.772 40.772 38.868 1.904 17842 7215 1 10 . 1 1 62 62 SER N N 63 121.368 121.368 123.845 -2.477 17842 7216 1 10 . 1 1 62 62 SER C C 63 173.027 173.027 173.943 -0.916 17842 7217 1 10 . 1 1 62 62 SER CA C 63 57.295 57.295 57.576 -0.281 17842 7218 1 10 . 1 1 62 62 SER CB C 63 64.306 64.306 62.233 2.073 17842 7219 1 10 . 1 1 62 62 SER H H 63 8.339 8.339 8.875 -0.536 17842 7220 1 10 . 1 1 63 63 ASP N N 64 124.300 124.300 122.920 1.380 17842 7221 1 10 . 1 1 63 63 ASP C C 64 176.570 176.570 176.507 0.063 17842 7222 1 10 . 1 1 63 63 ASP CA C 64 53.291 53.291 53.687 -0.396 17842 7223 1 10 . 1 1 63 63 ASP CB C 64 42.484 42.484 42.791 -0.307 17842 7224 1 10 . 1 1 63 63 ASP H H 64 8.596 8.596 7.696 0.900 17842 7225 1 10 . 1 1 64 64 THR N N 65 116.756 116.756 112.050 4.706 17842 7226 1 10 . 1 1 64 64 THR C C 65 175.975 175.975 174.730 1.245 17842 7227 1 10 . 1 1 64 64 THR CA C 65 61.608 61.608 61.683 -0.075 17842 7228 1 10 . 1 1 64 64 THR CB C 65 68.856 68.856 69.453 -0.597 17842 7229 1 10 . 1 1 64 64 THR H H 65 8.581 8.581 8.292 0.289 17842 7230 1 10 . 1 1 65 65 SER N N 66 119.276 119.276 116.560 2.716 17842 7231 1 10 . 1 1 65 65 SER CA C 66 59.728 59.728 60.377 -0.649 17842 7232 1 10 . 1 1 65 65 SER CB C 66 63.514 63.514 63.195 0.319 17842 7233 1 10 . 1 1 65 65 SER H H 66 8.492 8.492 8.421 0.071 17842 7234 1 10 . 1 1 66 66 SER C C 67 175.122 175.122 174.938 0.184 17842 7235 1 10 . 1 1 66 66 SER CA C 67 58.554 58.554 58.326 0.228 17842 7236 1 10 . 1 1 67 67 GLY N N 68 110.266 110.266 110.179 0.087 17842 7237 1 10 . 1 1 67 67 GLY C C 68 173.832 173.832 173.483 0.349 17842 7238 1 10 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.728 0.479 17842 7239 1 10 . 1 1 67 67 GLY H H 68 8.184 8.184 8.336 -0.152 17842 7240 1 10 . 1 1 68 68 ASN N N 69 118.584 118.584 120.262 -1.678 17842 7241 1 10 . 1 1 68 68 ASN C C 69 174.239 174.239 174.905 -0.666 17842 7242 1 10 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.773 -0.043 17842 7243 1 10 . 1 1 68 68 ASN CB C 69 38.938 38.938 41.305 -2.367 17842 7244 1 10 . 1 1 68 68 ASN H H 69 7.972 7.972 8.190 -0.218 17842 7245 1 10 . 1 1 72 72 GLN C C 73 173.610 173.610 174.107 -0.497 17842 7246 1 10 . 1 1 72 72 GLN CA C 73 53.449 53.449 55.218 -1.769 17842 7247 1 10 . 1 1 73 73 GLN N N 74 123.659 123.659 119.841 3.818 17842 7248 1 10 . 1 1 73 73 GLN C C 74 173.276 173.276 174.138 -0.862 17842 7249 1 10 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.661 -1.117 17842 7250 1 10 . 1 1 73 73 GLN CB C 74 34.344 34.344 32.615 1.729 17842 7251 1 10 . 1 1 73 73 GLN H H 74 8.697 8.697 8.255 0.442 17842 7252 1 10 . 1 1 74 74 ASN N N 75 118.720 118.720 124.740 -6.020 17842 7253 1 10 . 1 1 74 74 ASN C C 75 173.733 173.733 173.742 -0.009 17842 7254 1 10 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.575 -2.306 17842 7255 1 10 . 1 1 74 74 ASN CB C 75 40.070 40.070 40.196 -0.126 17842 7256 1 10 . 1 1 74 74 ASN H H 75 8.295 8.295 8.350 -0.055 17842 7257 1 10 . 1 1 75 75 LEU N N 76 124.353 124.353 124.995 -0.642 17842 7258 1 10 . 1 1 75 75 LEU C C 76 174.267 174.267 175.271 -1.004 17842 7259 1 10 . 1 1 75 75 LEU CA C 76 53.916 53.916 54.018 -0.102 17842 7260 1 10 . 1 1 75 75 LEU CB C 76 44.633 44.633 41.649 2.984 17842 7261 1 10 . 1 1 75 75 LEU H H 76 8.847 8.847 7.988 0.859 17842 7262 1 10 . 1 1 76 76 LEU N N 77 124.437 124.437 121.875 2.562 17842 7263 1 10 . 1 1 76 76 LEU C C 77 175.188 175.188 175.479 -0.291 17842 7264 1 10 . 1 1 76 76 LEU CA C 77 52.934 52.934 54.422 -1.488 17842 7265 1 10 . 1 1 76 76 LEU CB C 77 45.115 45.115 45.907 -0.792 17842 7266 1 10 . 1 1 76 76 LEU H H 77 9.222 9.222 8.226 0.996 17842 7267 1 10 . 1 1 77 77 GLY N N 78 107.288 107.288 108.023 -0.735 17842 7268 1 10 . 1 1 77 77 GLY C C 78 171.733 171.733 172.851 -1.118 17842 7269 1 10 . 1 1 77 77 GLY CA C 78 44.160 44.160 43.816 0.344 17842 7270 1 10 . 1 1 77 77 GLY H H 78 9.132 9.132 9.019 0.113 17842 7271 1 10 . 1 1 78 78 SER N N 79 117.437 117.437 121.743 -4.306 17842 7272 1 10 . 1 1 78 78 SER C C 79 171.279 171.279 172.913 -1.634 17842 7273 1 10 . 1 1 78 78 SER CA C 79 57.272 57.272 56.376 0.896 17842 7274 1 10 . 1 1 78 78 SER CB C 79 65.596 65.596 63.692 1.904 17842 7275 1 10 . 1 1 78 78 SER H H 79 8.210 8.210 7.984 0.226 17842 7276 1 10 . 1 1 79 79 TYR N N 80 122.901 122.901 124.473 -1.572 17842 7277 1 10 . 1 1 79 79 TYR C C 80 173.757 173.757 175.086 -1.329 17842 7278 1 10 . 1 1 79 79 TYR CA C 80 56.243 56.243 56.494 -0.251 17842 7279 1 10 . 1 1 79 79 TYR CB C 80 42.570 42.570 39.681 2.889 17842 7280 1 10 . 1 1 79 79 TYR H H 80 8.092 8.092 8.857 -0.765 17842 7281 1 10 . 1 1 80 80 ASP N N 81 122.808 122.808 123.537 -0.729 17842 7282 1 10 . 1 1 80 80 ASP C C 81 173.607 173.607 174.508 -0.901 17842 7283 1 10 . 1 1 80 80 ASP CA C 81 52.665 52.665 53.223 -0.558 17842 7284 1 10 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.732 0.055 17842 7285 1 10 . 1 1 80 80 ASP H H 81 8.268 8.268 9.245 -0.977 17842 7286 1 10 . 1 1 81 81 ALA N N 82 121.201 121.201 122.475 -1.274 17842 7287 1 10 . 1 1 81 81 ALA C C 82 177.094 177.094 176.429 0.665 17842 7288 1 10 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.738 -0.993 17842 7289 1 10 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.578 0.933 17842 7290 1 10 . 1 1 81 81 ALA H H 82 8.931 8.931 8.549 0.382 17842 7291 1 10 . 1 1 82 82 PHE N N 83 116.305 116.305 121.573 -5.268 17842 7292 1 10 . 1 1 82 82 PHE C C 83 176.299 176.299 174.261 2.038 17842 7293 1 10 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.909 -3.245 17842 7294 1 10 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.258 0.863 17842 7295 1 10 . 1 1 82 82 PHE H H 83 7.404 7.404 8.131 -0.727 17842 7296 1 10 . 1 1 83 83 LEU N N 84 122.208 122.208 121.087 1.121 17842 7297 1 10 . 1 1 83 83 LEU C C 84 173.599 173.599 174.473 -0.874 17842 7298 1 10 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.892 -1.018 17842 7299 1 10 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.368 -1.002 17842 7300 1 10 . 1 1 83 83 LEU H H 84 9.049 9.049 7.958 1.091 17842 7301 1 10 . 1 1 84 84 PRO C C 85 175.877 175.877 176.027 -0.150 17842 7302 1 10 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.451 -0.410 17842 7303 1 10 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.446 0.040 17842 7304 1 10 . 1 1 85 85 ILE N N 86 119.588 119.588 125.692 -6.104 17842 7305 1 10 . 1 1 85 85 ILE C C 86 175.749 175.749 175.015 0.734 17842 7306 1 10 . 1 1 85 85 ILE CA C 86 59.267 59.267 61.137 -1.870 17842 7307 1 10 . 1 1 85 85 ILE CB C 86 39.835 39.835 39.567 0.268 17842 7308 1 10 . 1 1 85 85 ILE H H 86 8.205 8.205 8.052 0.153 17842 7309 1 10 . 1 1 86 86 GLY N N 87 112.396 112.396 115.462 -3.066 17842 7310 1 10 . 1 1 86 86 GLY C C 87 174.218 174.218 173.689 0.529 17842 7311 1 10 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.286 0.406 17842 7312 1 10 . 1 1 86 86 GLY H H 87 8.364 8.364 8.703 -0.339 17842 7313 1 10 . 1 1 87 87 ASP N N 88 122.109 122.109 119.333 2.776 17842 7314 1 10 . 1 1 87 87 ASP C C 88 175.839 175.839 175.867 -0.028 17842 7315 1 10 . 1 1 87 87 ASP CA C 88 53.535 53.535 54.870 -1.335 17842 7316 1 10 . 1 1 87 87 ASP CB C 88 41.132 41.132 41.667 -0.535 17842 7317 1 10 . 1 1 87 87 ASP H H 88 8.249 8.249 8.277 -0.028 17842 7318 1 10 . 1 1 88 88 ASN N N 89 116.308 116.308 115.584 0.724 17842 7319 1 10 . 1 1 88 88 ASN C C 89 175.100 175.100 173.984 1.116 17842 7320 1 10 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.497 -0.575 17842 7321 1 10 . 1 1 88 88 ASN CB C 89 38.183 38.183 39.457 -1.274 17842 7322 1 10 . 1 1 88 88 ASN H H 89 8.449 8.449 8.532 -0.083 17842 7323 1 10 . 1 1 89 89 ASN N N 90 115.987 115.987 116.729 -0.742 17842 7324 1 10 . 1 1 89 89 ASN C C 90 173.909 173.909 174.079 -0.170 17842 7325 1 10 . 1 1 89 89 ASN CA C 90 54.386 54.386 53.154 1.232 17842 7326 1 10 . 1 1 89 89 ASN CB C 90 37.657 37.657 39.026 -1.369 17842 7327 1 10 . 1 1 89 89 ASN H H 90 8.477 8.477 8.421 0.056 17842 7328 1 10 . 1 1 90 90 THR N N 91 116.991 116.991 114.192 2.799 17842 7329 1 10 . 1 1 90 90 THR C C 91 173.763 173.763 172.926 0.837 17842 7330 1 10 . 1 1 90 90 THR CA C 91 62.170 62.170 61.356 0.813 17842 7331 1 10 . 1 1 90 90 THR CB C 91 68.706 68.706 71.007 -2.301 17842 7332 1 10 . 1 1 90 90 THR H H 91 7.600 7.600 7.665 -0.065 17842 7333 1 10 . 1 1 91 91 LYS N N 92 124.349 124.349 127.023 -2.674 17842 7334 1 10 . 1 1 91 91 LYS C C 92 175.815 175.815 176.048 -0.233 17842 7335 1 10 . 1 1 91 91 LYS CA C 92 54.406 54.406 54.785 -0.379 17842 7336 1 10 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.326 1.172 17842 7337 1 10 . 1 1 91 91 LYS H H 92 9.249 9.249 8.751 0.498 17842 7338 1 10 . 1 1 92 92 LEU N N 93 123.462 123.462 129.314 -5.852 17842 7339 1 10 . 1 1 92 92 LEU C C 93 176.260 176.260 175.718 0.542 17842 7340 1 10 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.195 -1.366 17842 7341 1 10 . 1 1 92 92 LEU CB C 93 43.614 43.614 41.918 1.696 17842 7342 1 10 . 1 1 92 92 LEU H H 93 8.650 8.650 8.077 0.573 17842 7343 1 10 . 1 1 93 93 PHE N N 94 119.497 119.497 123.525 -4.028 17842 7344 1 10 . 1 1 93 93 PHE C C 94 173.154 173.154 175.154 -2.000 17842 7345 1 10 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.576 0.560 17842 7346 1 10 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.280 1.813 17842 7347 1 10 . 1 1 93 93 PHE H H 94 8.485 8.485 7.578 0.907 17842 7348 1 10 . 1 1 94 94 GLY N N 95 105.945 105.945 106.553 -0.608 17842 7349 1 10 . 1 1 94 94 GLY C C 95 171.815 171.815 172.620 -0.805 17842 7350 1 10 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.535 -1.153 17842 7351 1 10 . 1 1 94 94 GLY H H 95 8.256 8.256 8.090 0.166 17842 7352 1 10 . 1 1 95 95 GLY N N 96 110.432 110.432 109.268 1.164 17842 7353 1 10 . 1 1 95 95 GLY C C 96 171.826 171.826 171.993 -0.167 17842 7354 1 10 . 1 1 95 95 GLY CA C 96 46.886 46.886 46.093 0.793 17842 7355 1 10 . 1 1 95 95 GLY H H 96 9.005 9.005 8.711 0.294 17842 7356 1 10 . 1 1 96 96 ALA N N 97 117.509 117.509 121.953 -4.444 17842 7357 1 10 . 1 1 96 96 ALA C C 97 176.928 176.928 175.334 1.594 17842 7358 1 10 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.303 -0.902 17842 7359 1 10 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.566 0.859 17842 7360 1 10 . 1 1 96 96 ALA H H 97 8.039 8.039 8.335 -0.296 17842 7361 1 10 . 1 1 97 97 THR N N 98 118.891 118.891 110.931 7.960 17842 7362 1 10 . 1 1 97 97 THR C C 98 172.492 172.492 173.381 -0.889 17842 7363 1 10 . 1 1 97 97 THR CA C 98 61.730 61.730 60.050 1.680 17842 7364 1 10 . 1 1 97 97 THR CB C 98 73.046 73.046 71.569 1.477 17842 7365 1 10 . 1 1 97 97 THR H H 98 8.379 8.379 8.149 0.230 17842 7366 1 10 . 1 1 98 98 LEU N N 99 124.958 124.958 122.760 2.198 17842 7367 1 10 . 1 1 98 98 LEU C C 99 175.753 175.753 175.416 0.337 17842 7368 1 10 . 1 1 98 98 LEU CA C 99 53.474 53.474 55.322 -1.848 17842 7369 1 10 . 1 1 98 98 LEU CB C 99 47.243 47.243 46.546 0.697 17842 7370 1 10 . 1 1 98 98 LEU H H 99 8.880 8.880 8.122 0.758 17842 7371 1 10 . 1 1 99 99 GLY N N 100 106.645 106.645 110.440 -3.795 17842 7372 1 10 . 1 1 99 99 GLY C C 100 169.886 169.886 171.708 -1.822 17842 7373 1 10 . 1 1 99 99 GLY CA C 100 46.631 46.631 44.591 2.040 17842 7374 1 10 . 1 1 99 99 GLY H H 100 8.635 8.635 7.818 0.817 17842 7375 1 10 . 1 1 100 100 LEU N N 101 121.823 121.823 120.743 1.080 17842 7376 1 10 . 1 1 100 100 LEU C C 101 174.876 174.876 174.785 0.091 17842 7377 1 10 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.440 -1.369 17842 7378 1 10 . 1 1 100 100 LEU CB C 101 46.646 46.646 46.332 0.314 17842 7379 1 10 . 1 1 100 100 LEU H H 101 9.088 9.088 8.703 0.385 17842 7380 1 10 . 1 1 101 101 VAL N N 102 118.857 118.857 120.612 -1.755 17842 7381 1 10 . 1 1 101 101 VAL C C 102 174.015 174.015 174.049 -0.034 17842 7382 1 10 . 1 1 101 101 VAL CA C 102 59.666 59.666 59.508 0.158 17842 7383 1 10 . 1 1 101 101 VAL CB C 102 35.406 35.406 34.541 0.865 17842 7384 1 10 . 1 1 101 101 VAL H H 102 8.291 8.291 8.358 -0.067 17842 7385 1 10 . 1 1 102 102 LYS N N 103 126.552 126.552 123.972 2.580 17842 7386 1 10 . 1 1 102 102 LYS C C 103 174.712 174.712 174.215 0.497 17842 7387 1 10 . 1 1 102 102 LYS CA C 103 54.433 54.433 54.267 0.166 17842 7388 1 10 . 1 1 102 102 LYS CB C 103 35.733 35.733 36.452 -0.719 17842 7389 1 10 . 1 1 102 102 LYS H H 103 9.141 9.141 7.998 1.143 17842 7390 1 10 . 1 1 103 103 LEU N N 104 129.605 129.605 124.396 5.209 17842 7391 1 10 . 1 1 103 103 LEU C C 104 175.344 175.344 175.601 -0.257 17842 7392 1 10 . 1 1 103 103 LEU CA C 104 53.492 53.492 54.271 -0.779 17842 7393 1 10 . 1 1 103 103 LEU CB C 104 45.004 45.004 44.941 0.064 17842 7394 1 10 . 1 1 103 103 LEU H H 104 8.921 8.921 8.695 0.226 17842 7395 1 10 . 1 1 104 104 GLU C C 105 174.715 174.715 174.396 0.319 17842 7396 1 10 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.240 -0.614 17842 7397 1 10 . 1 1 104 104 GLU CB C 105 33.055 33.055 33.858 -0.803 17842 7398 1 10 . 1 1 105 105 GLN N N 106 121.991 121.991 119.639 2.352 17842 7399 1 10 . 1 1 105 105 GLN C C 106 175.002 175.002 174.416 0.586 17842 7400 1 10 . 1 1 105 105 GLN CA C 106 54.679 54.679 54.488 0.191 17842 7401 1 10 . 1 1 105 105 GLN CB C 106 30.252 30.252 30.326 -0.074 17842 7402 1 10 . 1 1 105 105 GLN H H 106 8.532 8.532 8.315 0.217 17842 7403 1 10 . 1 1 106 106 ASP N N 107 123.884 123.884 120.872 3.012 17842 7404 1 10 . 1 1 106 106 ASP C C 107 176.352 176.352 175.631 0.721 17842 7405 1 10 . 1 1 106 106 ASP CA C 107 54.108 54.108 53.718 0.390 17842 7406 1 10 . 1 1 106 106 ASP CB C 107 41.448 41.448 41.608 -0.160 17842 7407 1 10 . 1 1 106 106 ASP H H 107 8.414 8.414 8.365 0.049 17842 7408 1 10 . 1 1 107 107 GLY N N 108 110.294 110.294 110.994 -0.700 17842 7409 1 10 . 1 1 107 107 GLY C C 108 174.111 174.111 173.585 0.526 17842 7410 1 10 . 1 1 107 107 GLY CA C 108 44.992 44.992 45.059 -0.067 17842 7411 1 10 . 1 1 107 107 GLY H H 108 8.226 8.226 8.398 -0.172 17842 7412 1 10 . 1 1 108 108 LYS N N 109 121.045 121.045 122.300 -1.255 17842 7413 1 10 . 1 1 108 108 LYS C C 109 176.988 176.988 175.369 1.619 17842 7414 1 10 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.706 -0.463 17842 7415 1 10 . 1 1 108 108 LYS CB C 109 31.957 31.957 33.721 -1.764 17842 7416 1 10 . 1 1 108 108 LYS H H 109 8.130 8.130 8.481 -0.351 17842 7417 1 10 . 1 1 109 109 GLY N N 110 109.975 109.975 112.768 -2.793 17842 7418 1 10 . 1 1 109 109 GLY C C 110 173.856 173.856 173.132 0.724 17842 7419 1 10 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.444 0.525 17842 7420 1 10 . 1 1 109 109 GLY H H 110 8.313 8.313 8.282 0.031 17842 7421 1 10 . 1 1 110 110 PHE N N 111 119.873 119.873 123.949 -4.076 17842 7422 1 10 . 1 1 110 110 PHE C C 111 175.195 175.195 175.148 0.047 17842 7423 1 10 . 1 1 110 110 PHE CA C 111 57.334 57.334 56.336 0.998 17842 7424 1 10 . 1 1 110 110 PHE CB C 111 39.311 39.311 39.847 -0.536 17842 7425 1 10 . 1 1 110 110 PHE H H 111 7.848 7.848 8.490 -0.642 17842 7426 1 10 . 1 1 111 111 LYS N N 112 122.900 122.900 128.722 -5.822 17842 7427 1 10 . 1 1 111 111 LYS C C 112 175.898 175.898 175.773 0.125 17842 7428 1 10 . 1 1 111 111 LYS CA C 112 55.928 55.928 56.030 -0.102 17842 7429 1 10 . 1 1 111 111 LYS CB C 112 32.741 32.741 32.712 0.030 17842 7430 1 10 . 1 1 111 111 LYS H H 112 8.073 8.073 8.687 -0.614 17842 7431 1 10 . 1 1 112 112 ARG N N 113 123.302 123.302 122.230 1.072 17842 7432 1 10 . 1 1 112 112 ARG C C 113 175.762 175.762 174.697 1.065 17842 7433 1 10 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.266 -0.389 17842 7434 1 10 . 1 1 112 112 ARG CB C 113 30.678 30.678 32.411 -1.733 17842 7435 1 10 . 1 1 112 112 ARG H H 113 8.277 8.277 8.214 0.063 17842 7436 1 10 . 1 1 113 113 ASP N N 114 122.193 122.193 120.110 2.083 17842 7437 1 10 . 1 1 113 113 ASP C C 114 175.875 175.875 174.805 1.070 17842 7438 1 10 . 1 1 113 113 ASP CA C 114 54.219 54.219 54.375 -0.156 17842 7439 1 10 . 1 1 113 113 ASP CB C 114 41.279 41.279 42.061 -0.782 17842 7440 1 10 . 1 1 113 113 ASP H H 114 8.300 8.300 8.637 -0.337 17842 7441 1 10 . 1 1 114 114 SER N N 115 114.844 114.844 115.629 -0.785 17842 7442 1 10 . 1 1 114 114 SER C C 115 173.567 173.567 173.965 -0.398 17842 7443 1 10 . 1 1 114 114 SER CA C 115 57.538 57.538 58.564 -1.026 17842 7444 1 10 . 1 1 114 114 SER CB C 115 64.306 64.306 64.388 -0.082 17842 7445 1 10 . 1 1 114 114 SER H H 115 8.071 8.071 7.741 0.330 17842 7446 1 10 . 1 1 115 115 ASP N N 116 122.371 122.371 119.052 3.319 17842 7447 1 10 . 1 1 115 115 ASP C C 116 175.096 175.096 174.683 0.413 17842 7448 1 10 . 1 1 115 115 ASP CA C 116 53.960 53.960 54.970 -1.010 17842 7449 1 10 . 1 1 115 115 ASP CB C 116 42.394 42.394 39.832 2.562 17842 7450 1 10 . 1 1 115 115 ASP H H 116 8.400 8.400 8.237 0.163 17842 7451 1 10 . 1 1 116 116 VAL N N 117 120.462 120.462 116.781 3.681 17842 7452 1 10 . 1 1 116 116 VAL C C 117 175.349 175.349 173.646 1.703 17842 7453 1 10 . 1 1 116 116 VAL CA C 117 60.785 60.785 61.549 -0.764 17842 7454 1 10 . 1 1 116 116 VAL CB C 117 33.507 33.507 33.648 -0.141 17842 7455 1 10 . 1 1 116 116 VAL H H 117 8.014 8.014 7.550 0.464 17842 7456 1 10 . 1 1 117 117 GLY N N 118 112.807 112.807 112.113 0.694 17842 7457 1 10 . 1 1 117 117 GLY C C 118 172.079 172.079 171.722 0.357 17842 7458 1 10 . 1 1 117 117 GLY CA C 118 43.255 43.255 45.688 -2.433 17842 7459 1 10 . 1 1 117 117 GLY H H 118 8.871 8.871 8.003 0.868 17842 7460 1 10 . 1 1 118 118 TYR N N 119 117.704 117.704 125.435 -7.731 17842 7461 1 10 . 1 1 118 118 TYR C C 119 175.024 175.024 173.620 1.404 17842 7462 1 10 . 1 1 118 118 TYR CA C 119 55.968 55.968 57.027 -1.059 17842 7463 1 10 . 1 1 118 118 TYR CB C 119 41.089 41.089 41.035 0.054 17842 7464 1 10 . 1 1 118 118 TYR H H 119 8.406 8.406 8.868 -0.462 17842 7465 1 10 . 1 1 119 119 ALA N N 120 122.050 122.050 127.369 -5.319 17842 7466 1 10 . 1 1 119 119 ALA C C 120 175.218 175.218 175.122 0.096 17842 7467 1 10 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.478 0.183 17842 7468 1 10 . 1 1 119 119 ALA CB C 120 23.187 23.187 22.623 0.564 17842 7469 1 10 . 1 1 119 119 ALA H H 120 8.605 8.605 7.561 1.044 17842 7470 1 10 . 1 1 120 120 ALA N N 121 119.839 119.839 123.150 -3.311 17842 7471 1 10 . 1 1 120 120 ALA C C 121 175.881 175.881 175.767 0.114 17842 7472 1 10 . 1 1 120 120 ALA CA C 121 50.340 50.340 51.696 -1.356 17842 7473 1 10 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.652 0.813 17842 7474 1 10 . 1 1 120 120 ALA H H 121 8.476 8.476 7.803 0.673 17842 7475 1 10 . 1 1 121 121 GLY N N 122 107.807 107.807 108.774 -0.967 17842 7476 1 10 . 1 1 121 121 GLY C C 122 171.191 171.191 172.116 -0.925 17842 7477 1 10 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.252 0.813 17842 7478 1 10 . 1 1 121 121 GLY H H 122 8.931 8.931 8.447 0.484 17842 7479 1 10 . 1 1 122 122 LEU N N 123 118.400 118.400 119.344 -0.944 17842 7480 1 10 . 1 1 122 122 LEU C C 123 174.684 174.684 174.736 -0.052 17842 7481 1 10 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.799 -1.572 17842 7482 1 10 . 1 1 122 122 LEU CB C 123 48.385 48.385 47.300 1.085 17842 7483 1 10 . 1 1 122 122 LEU H H 123 8.351 8.351 7.908 0.443 17842 7484 1 10 . 1 1 123 123 GLN N N 124 113.455 113.455 117.727 -4.272 17842 7485 1 10 . 1 1 123 123 GLN C C 124 173.895 173.895 173.707 0.188 17842 7486 1 10 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.938 -0.934 17842 7487 1 10 . 1 1 123 123 GLN CB C 124 28.135 28.135 34.169 -6.034 17842 7488 1 10 . 1 1 123 123 GLN H H 124 8.159 8.159 8.259 -0.100 17842 7489 1 10 . 1 1 124 124 ALA N N 125 118.711 118.711 121.774 -3.063 17842 7490 1 10 . 1 1 124 124 ALA C C 125 174.962 174.962 173.998 0.964 17842 7491 1 10 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.018 -1.222 17842 7492 1 10 . 1 1 124 124 ALA CB C 125 22.006 22.006 20.991 1.015 17842 7493 1 10 . 1 1 124 124 ALA H H 125 8.638 8.638 8.343 0.295 17842 7494 1 10 . 1 1 125 125 GLY N N 126 103.783 103.783 106.526 -2.743 17842 7495 1 10 . 1 1 125 125 GLY C C 126 170.390 170.390 171.210 -0.820 17842 7496 1 10 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.192 1.218 17842 7497 1 10 . 1 1 125 125 GLY H H 126 7.103 7.103 6.720 0.383 17842 7498 1 10 . 1 1 126 126 ILE N N 127 118.306 118.306 115.788 2.518 17842 7499 1 10 . 1 1 126 126 ILE C C 127 172.353 172.353 173.956 -1.603 17842 7500 1 10 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.658 -2.065 17842 7501 1 10 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.331 0.834 17842 7502 1 10 . 1 1 126 126 ILE H H 127 8.564 8.564 8.106 0.458 17842 7503 1 10 . 1 1 127 127 LEU N N 128 129.339 129.339 127.346 1.993 17842 7504 1 10 . 1 1 127 127 LEU C C 128 173.613 173.613 175.603 -1.990 17842 7505 1 10 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.164 -0.636 17842 7506 1 10 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.517 3.287 17842 7507 1 10 . 1 1 127 127 LEU H H 128 9.236 9.236 8.532 0.704 17842 7508 1 10 . 1 1 128 128 GLN N N 129 126.801 126.801 127.110 -0.309 17842 7509 1 10 . 1 1 128 128 GLN C C 129 175.093 175.093 174.603 0.490 17842 7510 1 10 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.276 -1.082 17842 7511 1 10 . 1 1 128 128 GLN CB C 129 30.947 30.947 31.031 -0.084 17842 7512 1 10 . 1 1 128 128 GLN H H 129 9.352 9.352 9.146 0.206 17842 7513 1 10 . 1 1 129 129 GLU N N 130 126.822 126.822 127.585 -0.763 17842 7514 1 10 . 1 1 129 129 GLU C C 130 176.651 176.651 175.900 0.751 17842 7515 1 10 . 1 1 129 129 GLU CA C 130 56.181 56.181 56.666 -0.485 17842 7516 1 10 . 1 1 129 129 GLU CB C 130 27.761 27.761 30.424 -2.663 17842 7517 1 10 . 1 1 129 129 GLU H H 130 8.518 8.518 8.939 -0.421 17842 7518 1 10 . 1 1 130 130 LEU N N 131 126.031 126.031 126.053 -0.022 17842 7519 1 10 . 1 1 130 130 LEU C C 131 176.044 176.044 177.292 -1.248 17842 7520 1 10 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.900 -0.725 17842 7521 1 10 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.472 0.383 17842 7522 1 10 . 1 1 130 130 LEU H H 131 8.708 8.708 8.497 0.211 17842 7523 1 10 . 1 1 131 131 SER N N 132 113.049 113.049 112.223 0.826 17842 7524 1 10 . 1 1 131 131 SER C C 132 174.092 174.092 173.111 0.981 17842 7525 1 10 . 1 1 131 131 SER CA C 132 55.993 55.993 57.718 -1.725 17842 7526 1 10 . 1 1 131 131 SER CB C 132 64.945 64.945 64.656 0.289 17842 7527 1 10 . 1 1 131 131 SER H H 132 8.282 8.282 7.734 0.548 17842 7528 1 10 . 1 1 132 132 LYS C C 133 176.346 176.346 175.291 1.055 17842 7529 1 10 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.404 2.093 17842 7530 1 10 . 1 1 132 132 LYS CB C 133 31.009 31.009 30.930 0.079 17842 7531 1 10 . 1 1 133 133 ASN N N 134 110.795 110.795 114.253 -3.458 17842 7532 1 10 . 1 1 133 133 ASN C C 134 173.897 173.897 172.570 1.327 17842 7533 1 10 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.984 -0.406 17842 7534 1 10 . 1 1 133 133 ASN CB C 134 40.830 40.830 39.812 1.018 17842 7535 1 10 . 1 1 133 133 ASN H H 134 7.761 7.761 8.097 -0.336 17842 7536 1 10 . 1 1 134 134 ALA N N 135 122.181 122.181 123.022 -0.841 17842 7537 1 10 . 1 1 134 134 ALA C C 135 176.250 176.250 175.508 0.742 17842 7538 1 10 . 1 1 134 134 ALA CA C 135 51.157 51.157 50.410 0.747 17842 7539 1 10 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.777 0.356 17842 7540 1 10 . 1 1 134 134 ALA H H 135 7.562 7.562 7.508 0.054 17842 7541 1 10 . 1 1 135 135 SER N N 136 114.617 114.617 115.069 -0.452 17842 7542 1 10 . 1 1 135 135 SER C C 136 172.507 172.507 172.405 0.102 17842 7543 1 10 . 1 1 135 135 SER CA C 136 56.164 56.164 57.451 -1.287 17842 7544 1 10 . 1 1 135 135 SER CB C 136 66.255 66.255 66.818 -0.563 17842 7545 1 10 . 1 1 135 135 SER H H 136 8.717 8.717 8.386 0.331 17842 7546 1 10 . 1 1 136 136 ILE N N 137 114.495 114.495 116.324 -1.829 17842 7547 1 10 . 1 1 136 136 ILE C C 137 173.136 173.136 173.290 -0.154 17842 7548 1 10 . 1 1 136 136 ILE CA C 137 58.420 58.420 59.861 -1.441 17842 7549 1 10 . 1 1 136 136 ILE CB C 137 42.700 42.700 41.729 0.971 17842 7550 1 10 . 1 1 136 136 ILE H H 137 8.592 8.592 8.897 -0.305 17842 7551 1 10 . 1 1 137 137 GLU N N 138 122.016 122.016 123.963 -1.947 17842 7552 1 10 . 1 1 137 137 GLU C C 138 173.792 173.792 175.583 -1.791 17842 7553 1 10 . 1 1 137 137 GLU CA C 138 53.537 53.537 53.416 0.121 17842 7554 1 10 . 1 1 137 137 GLU CB C 138 35.118 35.118 33.496 1.622 17842 7555 1 10 . 1 1 137 137 GLU H H 138 8.902 8.902 8.287 0.615 17842 7556 1 10 . 1 1 138 138 GLY N N 139 107.847 107.847 105.233 2.614 17842 7557 1 10 . 1 1 138 138 GLY C C 139 171.817 171.817 172.776 -0.959 17842 7558 1 10 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.541 -1.471 17842 7559 1 10 . 1 1 138 138 GLY H H 139 8.485 8.485 8.068 0.417 17842 7560 1 10 . 1 1 139 139 GLY N N 140 108.290 108.290 109.733 -1.443 17842 7561 1 10 . 1 1 139 139 GLY C C 140 169.172 169.172 172.601 -3.429 17842 7562 1 10 . 1 1 139 139 GLY CA C 140 45.714 45.714 46.133 -0.419 17842 7563 1 10 . 1 1 139 139 GLY H H 140 7.841 7.841 8.852 -1.011 17842 7564 1 10 . 1 1 140 140 TYR N N 141 119.674 119.674 117.234 2.440 17842 7565 1 10 . 1 1 140 140 TYR C C 141 173.643 173.643 173.557 0.086 17842 7566 1 10 . 1 1 140 140 TYR CA C 141 55.179 55.179 54.816 0.362 17842 7567 1 10 . 1 1 140 140 TYR CB C 141 43.144 43.144 42.145 0.999 17842 7568 1 10 . 1 1 140 140 TYR H H 141 8.726 8.726 8.367 0.359 17842 7569 1 10 . 1 1 141 141 ARG N N 142 125.021 125.021 119.895 5.126 17842 7570 1 10 . 1 1 141 141 ARG C C 142 173.533 173.533 173.724 -0.191 17842 7571 1 10 . 1 1 141 141 ARG CA C 142 53.813 53.813 55.046 -1.233 17842 7572 1 10 . 1 1 141 141 ARG CB C 142 33.239 33.239 34.528 -1.289 17842 7573 1 10 . 1 1 141 141 ARG H H 142 8.502 8.502 8.261 0.241 17842 7574 1 10 . 1 1 142 142 TYR N N 143 128.805 128.805 122.005 6.800 17842 7575 1 10 . 1 1 142 142 TYR C C 143 173.475 173.475 175.378 -1.903 17842 7576 1 10 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.093 0.335 17842 7577 1 10 . 1 1 142 142 TYR CB C 143 41.642 41.642 41.195 0.447 17842 7578 1 10 . 1 1 142 142 TYR H H 143 8.978 8.978 9.071 -0.093 17842 7579 1 10 . 1 1 143 143 LEU N N 144 125.513 125.513 119.757 5.756 17842 7580 1 10 . 1 1 143 143 LEU C C 144 175.370 175.370 174.713 0.657 17842 7581 1 10 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.556 -1.663 17842 7582 1 10 . 1 1 143 143 LEU CB C 144 45.924 45.924 46.231 -0.307 17842 7583 1 10 . 1 1 143 143 LEU H H 144 8.117 8.117 8.940 -0.823 17842 7584 1 10 . 1 1 144 144 ARG N N 145 122.193 122.193 121.722 0.471 17842 7585 1 10 . 1 1 144 144 ARG C C 145 175.452 175.452 174.588 0.864 17842 7586 1 10 . 1 1 144 144 ARG CA C 145 54.077 54.077 53.846 0.231 17842 7587 1 10 . 1 1 144 144 ARG CB C 145 31.377 31.377 34.153 -2.776 17842 7588 1 10 . 1 1 144 144 ARG H H 145 8.810 8.810 7.635 1.175 17842 7589 1 10 . 1 1 145 145 THR C C 146 172.708 172.708 173.490 -0.782 17842 7590 1 10 . 1 1 145 145 THR CA C 146 59.117 59.117 61.241 -2.124 17842 7591 1 10 . 1 1 145 145 THR CB C 146 70.345 70.345 69.613 0.732 17842 7592 1 10 . 1 1 146 146 ASN N N 147 120.236 120.236 122.497 -2.261 17842 7593 1 10 . 1 1 146 146 ASN C C 147 175.341 175.341 173.498 1.843 17842 7594 1 10 . 1 1 146 146 ASN CA C 147 51.880 51.880 52.447 -0.567 17842 7595 1 10 . 1 1 146 146 ASN CB C 147 38.462 38.462 43.026 -4.564 17842 7596 1 10 . 1 1 146 146 ASN H H 147 8.259 8.259 8.680 -0.421 17842 7597 1 10 . 1 1 147 147 ALA N N 148 124.724 124.724 124.114 0.610 17842 7598 1 10 . 1 1 147 147 ALA C C 148 176.378 176.378 176.494 -0.116 17842 7599 1 10 . 1 1 147 147 ALA CA C 148 52.179 52.179 51.965 0.214 17842 7600 1 10 . 1 1 147 147 ALA CB C 148 18.626 18.626 20.960 -2.334 17842 7601 1 10 . 1 1 147 147 ALA H H 148 8.256 8.256 8.336 -0.080 17842 7602 1 10 . 1 1 148 148 SER N N 149 115.670 115.670 116.267 -0.597 17842 7603 1 10 . 1 1 148 148 SER C C 149 174.123 174.123 174.297 -0.174 17842 7604 1 10 . 1 1 148 148 SER CA C 149 57.281 57.281 58.162 -0.881 17842 7605 1 10 . 1 1 148 148 SER CB C 149 64.685 64.685 62.268 2.417 17842 7606 1 10 . 1 1 148 148 SER H H 149 8.372 8.372 8.597 -0.225 17842 7607 1 10 . 1 1 149 149 THR N N 150 115.292 115.292 114.210 1.082 17842 7608 1 10 . 1 1 149 149 THR C C 150 173.858 173.858 174.313 -0.455 17842 7609 1 10 . 1 1 149 149 THR CA C 150 61.189 61.189 61.037 0.152 17842 7610 1 10 . 1 1 149 149 THR CB C 150 69.105 69.105 70.985 -1.880 17842 7611 1 10 . 1 1 149 149 THR H H 150 8.228 8.228 8.044 0.184 17842 7612 1 10 . 1 1 150 150 GLU N N 151 123.244 123.244 120.138 3.106 17842 7613 1 10 . 1 1 150 150 GLU C C 151 176.121 176.121 176.735 -0.614 17842 7614 1 10 . 1 1 150 150 GLU CA C 151 56.002 56.002 57.650 -1.648 17842 7615 1 10 . 1 1 150 150 GLU CB C 151 29.931 29.931 29.991 -0.060 17842 7616 1 10 . 1 1 150 150 GLU H H 151 8.186 8.186 8.746 -0.560 17842 7617 1 10 . 1 1 151 151 MET N N 152 121.600 121.600 119.697 1.903 17842 7618 1 10 . 1 1 151 151 MET C C 152 175.810 175.810 175.634 0.176 17842 7619 1 10 . 1 1 151 151 MET CA C 152 55.254 55.254 57.198 -1.944 17842 7620 1 10 . 1 1 151 151 MET CB C 152 33.247 33.247 33.186 0.061 17842 7621 1 10 . 1 1 151 151 MET H H 152 8.248 8.248 8.153 0.095 17842 7622 1 10 . 1 1 152 152 THR N N 153 117.486 117.486 113.227 4.259 17842 7623 1 10 . 1 1 152 152 THR C C 153 172.907 172.907 172.716 0.191 17842 7624 1 10 . 1 1 152 152 THR CA C 153 59.365 59.365 58.332 1.033 17842 7625 1 10 . 1 1 152 152 THR CB C 153 69.366 69.366 68.734 0.632 17842 7626 1 10 . 1 1 152 152 THR H H 153 8.113 8.113 7.874 0.239 17842 7627 1 10 . 1 1 155 155 GLY C C 156 174.620 174.620 173.965 0.655 17842 7628 1 10 . 1 1 155 155 GLY CA C 156 45.280 45.280 44.894 0.386 17842 7629 1 10 . 1 1 156 156 GLY N N 157 109.059 109.059 109.079 -0.020 17842 7630 1 10 . 1 1 156 156 GLY C C 157 173.801 173.801 173.871 -0.070 17842 7631 1 10 . 1 1 156 156 GLY CA C 157 44.929 44.929 45.781 -0.851 17842 7632 1 10 . 1 1 156 156 GLY H H 157 8.175 8.175 8.351 -0.176 17842 7633 1 10 . 1 1 157 157 ASN N N 158 118.630 118.630 118.552 0.078 17842 7634 1 10 . 1 1 157 157 ASN C C 158 175.025 175.025 175.459 -0.434 17842 7635 1 10 . 1 1 157 157 ASN CA C 158 52.791 52.791 52.808 -0.017 17842 7636 1 10 . 1 1 157 157 ASN CB C 158 38.532 38.532 39.646 -1.114 17842 7637 1 10 . 1 1 157 157 ASN H H 158 8.114 8.114 8.100 0.014 17842 7638 1 10 . 1 1 158 158 LYS N N 159 121.755 121.755 120.074 1.681 17842 7639 1 10 . 1 1 158 158 LYS C C 159 176.361 176.361 175.884 0.477 17842 7640 1 10 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.005 0.466 17842 7641 1 10 . 1 1 158 158 LYS CB C 159 32.403 32.403 32.526 -0.123 17842 7642 1 10 . 1 1 158 158 LYS H H 159 8.169 8.169 8.360 -0.191 17842 7643 1 10 . 1 1 159 159 LEU N N 160 123.084 123.084 121.978 1.106 17842 7644 1 10 . 1 1 159 159 LEU C C 160 177.408 177.408 176.445 0.963 17842 7645 1 10 . 1 1 159 159 LEU CA C 160 55.162 55.162 54.525 0.637 17842 7646 1 10 . 1 1 159 159 LEU CB C 160 42.690 42.690 41.843 0.847 17842 7647 1 10 . 1 1 159 159 LEU H H 160 8.173 8.173 7.763 0.410 17842 7648 1 10 . 1 1 160 160 GLY N N 161 109.180 109.180 111.921 -2.741 17842 7649 1 10 . 1 1 160 160 GLY C C 161 173.574 173.574 174.201 -0.627 17842 7650 1 10 . 1 1 160 160 GLY CA C 161 44.877 44.877 44.549 0.328 17842 7651 1 10 . 1 1 160 160 GLY H H 161 8.117 8.117 8.612 -0.495 17842 7652 1 10 . 1 1 161 161 SER N N 162 115.719 115.719 114.291 1.428 17842 7653 1 10 . 1 1 161 161 SER C C 162 173.715 173.715 173.811 -0.096 17842 7654 1 10 . 1 1 161 161 SER CA C 162 57.965 57.965 57.929 0.035 17842 7655 1 10 . 1 1 161 161 SER CB C 162 63.856 63.856 64.199 -0.343 17842 7656 1 10 . 1 1 161 161 SER H H 162 8.064 8.064 8.013 0.051 17842 7657 1 10 . 1 1 162 162 LEU N N 163 123.433 123.433 122.932 0.501 17842 7658 1 10 . 1 1 162 162 LEU C C 163 175.609 175.609 177.450 -1.841 17842 7659 1 10 . 1 1 162 162 LEU CA C 163 54.385 54.385 54.633 -0.248 17842 7660 1 10 . 1 1 162 162 LEU CB C 163 43.046 43.046 44.104 -1.058 17842 7661 1 10 . 1 1 162 162 LEU H H 163 8.282 8.282 8.060 0.222 17842 7662 1 10 . 1 1 163 163 ASP N N 164 122.223 122.223 121.040 1.183 17842 7663 1 10 . 1 1 163 163 ASP C C 164 175.122 175.122 175.103 0.019 17842 7664 1 10 . 1 1 163 163 ASP CA C 164 53.400 53.400 55.853 -2.454 17842 7665 1 10 . 1 1 163 163 ASP CB C 164 41.200 41.200 40.987 0.213 17842 7666 1 10 . 1 1 163 163 ASP H H 164 8.356 8.356 8.817 -0.461 17842 7667 1 10 . 1 1 166 166 SER C C 167 172.472 172.472 174.122 -1.650 17842 7668 1 10 . 1 1 166 166 SER CA C 167 56.760 56.760 56.812 -0.052 17842 7669 1 10 . 1 1 167 167 SER N N 168 115.939 115.939 115.945 -0.006 17842 7670 1 10 . 1 1 167 167 SER C C 168 173.318 173.318 172.571 0.747 17842 7671 1 10 . 1 1 167 167 SER CA C 168 56.763 56.763 58.101 -1.338 17842 7672 1 10 . 1 1 167 167 SER CB C 168 65.286 65.286 66.050 -0.764 17842 7673 1 10 . 1 1 167 167 SER H H 168 8.678 8.678 8.520 0.158 17842 7674 1 10 . 1 1 168 168 SER C C 169 172.500 172.500 172.953 -0.453 17842 7675 1 10 . 1 1 168 168 SER CA C 169 56.569 56.569 58.023 -1.454 17842 7676 1 10 . 1 1 168 168 SER CB C 169 65.738 65.738 63.674 2.064 17842 7677 1 10 . 1 1 169 169 GLN N N 170 122.951 122.951 120.892 2.059 17842 7678 1 10 . 1 1 169 169 GLN C C 170 174.697 174.697 174.094 0.603 17842 7679 1 10 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.699 -0.661 17842 7680 1 10 . 1 1 169 169 GLN CB C 170 32.383 32.383 33.653 -1.270 17842 7681 1 10 . 1 1 169 169 GLN H H 170 8.745 8.745 8.123 0.622 17842 7682 1 10 . 1 1 170 170 PHE N N 171 125.628 125.628 119.840 5.788 17842 7683 1 10 . 1 1 170 170 PHE C C 171 174.628 174.628 174.814 -0.186 17842 7684 1 10 . 1 1 170 170 PHE CA C 171 56.200 56.200 56.615 -0.415 17842 7685 1 10 . 1 1 170 170 PHE CB C 171 41.552 41.552 41.219 0.333 17842 7686 1 10 . 1 1 170 170 PHE H H 171 7.771 7.771 8.476 -0.705 17842 7687 1 10 . 1 1 171 171 TYR N N 172 121.558 121.558 122.876 -1.318 17842 7688 1 10 . 1 1 171 171 TYR C C 172 171.727 171.727 174.786 -3.059 17842 7689 1 10 . 1 1 171 171 TYR CA C 172 56.046 56.046 56.988 -0.942 17842 7690 1 10 . 1 1 171 171 TYR CB C 172 42.439 42.439 41.435 1.004 17842 7691 1 10 . 1 1 171 171 TYR H H 172 8.696 8.696 9.409 -0.713 17842 7692 1 10 . 1 1 172 172 LEU N N 173 119.230 119.230 119.377 -0.147 17842 7693 1 10 . 1 1 172 172 LEU C C 173 176.352 176.352 175.042 1.310 17842 7694 1 10 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.463 -1.720 17842 7695 1 10 . 1 1 172 172 LEU CB C 173 46.537 46.537 45.685 0.852 17842 7696 1 10 . 1 1 172 172 LEU H H 173 8.971 8.971 8.181 0.790 17842 7697 1 10 . 1 1 173 173 GLY N N 174 107.248 107.248 107.808 -0.560 17842 7698 1 10 . 1 1 173 173 GLY C C 174 170.680 170.680 172.094 -1.414 17842 7699 1 10 . 1 1 173 173 GLY CA C 174 44.920 44.920 45.647 -0.727 17842 7700 1 10 . 1 1 173 173 GLY H H 174 9.085 9.085 8.794 0.291 17842 7701 1 10 . 1 1 174 174 ALA N N 175 121.461 121.461 120.799 0.662 17842 7702 1 10 . 1 1 174 174 ALA C C 175 174.546 174.546 175.183 -0.637 17842 7703 1 10 . 1 1 174 174 ALA CA C 175 50.312 50.312 50.078 0.234 17842 7704 1 10 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.116 -0.474 17842 7705 1 10 . 1 1 174 174 ALA H H 175 8.575 8.575 7.626 0.949 17842 7706 1 10 . 1 1 175 175 ASN N N 176 117.370 117.370 116.380 0.990 17842 7707 1 10 . 1 1 175 175 ASN C C 176 173.370 173.370 173.106 0.264 17842 7708 1 10 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.709 -2.110 17842 7709 1 10 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.329 -0.372 17842 7710 1 10 . 1 1 175 175 ASN H H 176 8.762 8.762 8.882 -0.120 17842 7711 1 10 . 1 1 176 176 TYR N N 177 122.724 122.724 125.984 -3.260 17842 7712 1 10 . 1 1 176 176 TYR C C 177 173.924 173.924 175.508 -1.584 17842 7713 1 10 . 1 1 176 176 TYR CA C 177 56.438 56.438 58.007 -1.569 17842 7714 1 10 . 1 1 176 176 TYR CB C 177 42.401 42.401 40.403 1.998 17842 7715 1 10 . 1 1 176 176 TYR H H 177 9.570 9.570 9.372 0.198 17842 7716 1 10 . 1 1 177 177 LYS N N 178 127.067 127.067 126.414 0.653 17842 7717 1 10 . 1 1 177 177 LYS C C 178 174.336 174.336 175.696 -1.360 17842 7718 1 10 . 1 1 177 177 LYS CA C 178 54.243 54.243 56.947 -2.704 17842 7719 1 10 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.795 0.156 17842 7720 1 10 . 1 1 177 177 LYS H H 178 8.284 8.284 8.727 -0.443 17842 7721 1 11 . 1 1 2 2 ASP N N 3 119.767 119.767 120.807 -1.040 17842 7722 1 11 . 1 1 2 2 ASP C C 3 175.809 175.809 175.331 0.478 17842 7723 1 11 . 1 1 2 2 ASP CA C 3 53.303 53.303 52.739 0.564 17842 7724 1 11 . 1 1 2 2 ASP CB C 3 42.915 42.915 45.255 -2.340 17842 7725 1 11 . 1 1 2 2 ASP H H 3 8.443 8.443 8.476 -0.033 17842 7726 1 11 . 1 1 3 3 ASN N N 4 123.667 123.667 118.904 4.763 17842 7727 1 11 . 1 1 3 3 ASN C C 4 174.736 174.736 175.072 -0.336 17842 7728 1 11 . 1 1 3 3 ASN CA C 4 52.911 52.911 54.277 -1.366 17842 7729 1 11 . 1 1 3 3 ASN CB C 4 39.160 39.160 39.181 -0.021 17842 7730 1 11 . 1 1 3 3 ASN H H 4 8.923 8.923 8.650 0.273 17842 7731 1 11 . 1 1 4 4 PHE N N 5 118.447 118.447 125.493 -7.046 17842 7732 1 11 . 1 1 4 4 PHE C C 5 172.331 172.331 173.202 -0.871 17842 7733 1 11 . 1 1 4 4 PHE CA C 5 56.052 56.052 56.341 -0.289 17842 7734 1 11 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.230 -0.367 17842 7735 1 11 . 1 1 4 4 PHE H H 5 8.910 8.910 8.610 0.300 17842 7736 1 11 . 1 1 5 5 VAL N N 6 116.195 116.195 121.014 -4.819 17842 7737 1 11 . 1 1 5 5 VAL C C 6 174.144 174.144 173.594 0.550 17842 7738 1 11 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.205 -1.676 17842 7739 1 11 . 1 1 5 5 VAL CB C 6 35.818 35.818 34.699 1.119 17842 7740 1 11 . 1 1 5 5 VAL H H 6 8.903 8.903 8.610 0.293 17842 7741 1 11 . 1 1 6 6 GLY N N 7 110.150 110.150 112.378 -2.228 17842 7742 1 11 . 1 1 6 6 GLY C C 7 170.825 170.825 172.117 -1.292 17842 7743 1 11 . 1 1 6 6 GLY CA C 7 46.218 46.218 44.078 2.140 17842 7744 1 11 . 1 1 6 6 GLY H H 7 8.670 8.670 7.364 1.306 17842 7745 1 11 . 1 1 7 7 LEU N N 8 120.059 120.059 119.973 0.086 17842 7746 1 11 . 1 1 7 7 LEU C C 8 175.596 175.596 175.412 0.184 17842 7747 1 11 . 1 1 7 7 LEU CA C 8 52.933 52.933 53.649 -0.716 17842 7748 1 11 . 1 1 7 7 LEU CB C 8 47.663 47.663 46.529 1.133 17842 7749 1 11 . 1 1 7 7 LEU H H 8 8.562 8.562 7.791 0.771 17842 7750 1 11 . 1 1 8 8 THR N N 9 112.180 112.180 117.380 -5.200 17842 7751 1 11 . 1 1 8 8 THR C C 9 172.942 172.942 172.577 0.365 17842 7752 1 11 . 1 1 8 8 THR CA C 9 59.539 59.539 62.259 -2.720 17842 7753 1 11 . 1 1 8 8 THR CB C 9 70.735 70.735 70.913 -0.178 17842 7754 1 11 . 1 1 8 8 THR H H 9 9.114 9.114 8.545 0.569 17842 7755 1 11 . 1 1 9 9 TRP N N 10 121.476 121.476 127.977 -6.501 17842 7756 1 11 . 1 1 9 9 TRP C C 10 174.622 174.622 174.170 0.452 17842 7757 1 11 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.894 0.524 17842 7758 1 11 . 1 1 9 9 TRP CB C 10 31.877 31.877 33.453 -1.576 17842 7759 1 11 . 1 1 9 9 TRP H H 10 9.022 9.022 8.117 0.905 17842 7760 1 11 . 1 1 10 10 GLY N N 11 112.750 112.750 113.740 -0.990 17842 7761 1 11 . 1 1 10 10 GLY C C 11 171.655 171.655 172.110 -0.455 17842 7762 1 11 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.725 1.215 17842 7763 1 11 . 1 1 10 10 GLY H H 11 7.798 7.798 8.577 -0.779 17842 7764 1 11 . 1 1 11 11 GLU N N 12 117.292 117.292 123.980 -6.688 17842 7765 1 11 . 1 1 11 11 GLU C C 12 175.810 175.810 175.934 -0.124 17842 7766 1 11 . 1 1 11 11 GLU CA C 12 53.743 53.743 55.696 -1.952 17842 7767 1 11 . 1 1 11 11 GLU CB C 12 31.361 31.361 30.192 1.169 17842 7768 1 11 . 1 1 11 11 GLU H H 12 8.223 8.223 8.755 -0.532 17842 7769 1 11 . 1 1 12 12 THR N N 13 123.477 123.477 122.111 1.366 17842 7770 1 11 . 1 1 12 12 THR C C 13 174.233 174.233 174.137 0.096 17842 7771 1 11 . 1 1 12 12 THR CA C 13 61.872 61.872 62.208 -0.336 17842 7772 1 11 . 1 1 12 12 THR CB C 13 69.374 69.374 69.784 -0.410 17842 7773 1 11 . 1 1 12 12 THR H H 13 8.722 8.722 8.236 0.486 17842 7774 1 11 . 1 1 13 13 SER N N 14 122.220 122.220 121.842 0.378 17842 7775 1 11 . 1 1 13 13 SER C C 14 173.577 173.577 173.579 -0.002 17842 7776 1 11 . 1 1 13 13 SER CA C 14 56.934 56.934 58.552 -1.618 17842 7777 1 11 . 1 1 13 13 SER CB C 14 64.249 64.249 63.639 0.610 17842 7778 1 11 . 1 1 13 13 SER H H 14 9.225 9.225 8.669 0.556 17842 7779 1 11 . 1 1 14 14 ASN N N 15 125.159 125.159 122.968 2.191 17842 7780 1 11 . 1 1 14 14 ASN C C 15 174.673 174.673 174.382 0.291 17842 7781 1 11 . 1 1 14 14 ASN CA C 15 51.888 51.888 53.689 -1.801 17842 7782 1 11 . 1 1 14 14 ASN CB C 15 39.777 39.777 38.786 0.991 17842 7783 1 11 . 1 1 14 14 ASN H H 15 8.745 8.745 8.844 -0.099 17842 7784 1 11 . 1 1 15 15 ASN N N 16 120.330 120.330 121.606 -1.276 17842 7785 1 11 . 1 1 15 15 ASN C C 16 175.886 175.886 174.737 1.149 17842 7786 1 11 . 1 1 15 15 ASN CA C 16 52.780 52.780 52.444 0.336 17842 7787 1 11 . 1 1 15 15 ASN CB C 16 38.595 38.595 37.242 1.353 17842 7788 1 11 . 1 1 15 15 ASN H H 16 8.494 8.494 8.505 -0.011 17842 7789 1 11 . 1 1 20 20 LYS C C 21 176.705 176.705 174.867 1.838 17842 7790 1 11 . 1 1 20 20 LYS CA C 21 56.683 56.683 55.504 1.179 17842 7791 1 11 . 1 1 21 21 SER N N 22 115.966 115.966 112.447 3.519 17842 7792 1 11 . 1 1 21 21 SER C C 22 174.564 174.564 173.745 0.819 17842 7793 1 11 . 1 1 21 21 SER CA C 22 58.149 58.149 59.038 -0.889 17842 7794 1 11 . 1 1 21 21 SER CB C 22 63.308 63.308 63.234 0.073 17842 7795 1 11 . 1 1 21 21 SER H H 22 8.053 8.053 7.728 0.325 17842 7796 1 11 . 1 1 22 22 LEU N N 23 123.751 123.751 118.199 5.552 17842 7797 1 11 . 1 1 22 22 LEU C C 23 176.968 176.968 176.335 0.633 17842 7798 1 11 . 1 1 22 22 LEU CA C 23 55.269 55.269 54.055 1.214 17842 7799 1 11 . 1 1 22 22 LEU CB C 23 42.334 42.334 40.436 1.898 17842 7800 1 11 . 1 1 22 22 LEU H H 23 8.006 8.006 8.418 -0.412 17842 7801 1 11 . 1 1 23 23 ASN N N 24 118.937 118.937 118.604 0.333 17842 7802 1 11 . 1 1 23 23 ASN C C 24 175.119 175.119 174.261 0.858 17842 7803 1 11 . 1 1 23 23 ASN CA C 24 52.993 52.993 54.313 -1.320 17842 7804 1 11 . 1 1 23 23 ASN CB C 24 38.255 38.255 38.553 -0.298 17842 7805 1 11 . 1 1 23 23 ASN H H 24 8.136 8.136 8.097 0.039 17842 7806 1 11 . 1 1 24 24 ARG N N 25 121.500 121.500 120.316 1.184 17842 7807 1 11 . 1 1 24 24 ARG C C 25 175.849 175.849 175.164 0.685 17842 7808 1 11 . 1 1 24 24 ARG CA C 25 56.368 56.368 55.646 0.722 17842 7809 1 11 . 1 1 24 24 ARG CB C 25 30.366 30.366 31.386 -1.020 17842 7810 1 11 . 1 1 24 24 ARG H H 25 8.097 8.097 8.492 -0.395 17842 7811 1 11 . 1 1 25 25 ASN N N 26 119.196 119.196 121.329 -2.133 17842 7812 1 11 . 1 1 25 25 ASN C C 26 175.122 175.122 173.884 1.238 17842 7813 1 11 . 1 1 25 25 ASN CA C 26 53.061 53.061 52.296 0.765 17842 7814 1 11 . 1 1 25 25 ASN CB C 26 38.291 38.291 40.122 -1.831 17842 7815 1 11 . 1 1 25 25 ASN H H 26 8.278 8.278 8.726 -0.448 17842 7816 1 11 . 1 1 26 26 LEU N N 27 122.352 122.352 122.589 -0.237 17842 7817 1 11 . 1 1 26 26 LEU C C 27 176.903 176.903 177.456 -0.553 17842 7818 1 11 . 1 1 26 26 LEU CA C 27 55.326 55.326 55.620 -0.294 17842 7819 1 11 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.633 -0.447 17842 7820 1 11 . 1 1 26 26 LEU H H 27 7.992 7.992 8.334 -0.342 17842 7821 1 11 . 1 1 27 27 ASN N N 28 118.444 118.444 117.847 0.597 17842 7822 1 11 . 1 1 27 27 ASN C C 28 174.754 174.754 173.925 0.829 17842 7823 1 11 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.708 -0.748 17842 7824 1 11 . 1 1 27 27 ASN CB C 28 38.419 38.419 37.337 1.081 17842 7825 1 11 . 1 1 27 27 ASN H H 28 8.216 8.216 8.796 -0.580 17842 7826 1 11 . 1 1 28 28 SER N N 29 116.471 116.471 115.427 1.044 17842 7827 1 11 . 1 1 28 28 SER C C 29 172.778 172.778 172.714 0.064 17842 7828 1 11 . 1 1 28 28 SER CA C 29 55.982 55.982 56.068 -0.086 17842 7829 1 11 . 1 1 28 28 SER CB C 29 63.179 63.179 64.457 -1.278 17842 7830 1 11 . 1 1 28 28 SER H H 29 7.833 7.833 7.889 -0.056 17842 7831 1 11 . 1 1 29 29 PRO C C 30 176.535 176.535 175.850 0.685 17842 7832 1 11 . 1 1 29 29 PRO CA C 30 63.458 63.458 63.265 0.193 17842 7833 1 11 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.014 -0.342 17842 7834 1 11 . 1 1 30 30 ASN N N 31 118.189 118.189 121.383 -3.194 17842 7835 1 11 . 1 1 30 30 ASN C C 31 175.075 175.075 174.313 0.762 17842 7836 1 11 . 1 1 30 30 ASN CA C 31 53.051 53.051 52.836 0.215 17842 7837 1 11 . 1 1 30 30 ASN CB C 31 38.277 38.277 39.355 -1.078 17842 7838 1 11 . 1 1 30 30 ASN H H 31 8.231 8.231 8.588 -0.357 17842 7839 1 11 . 1 1 31 31 LEU N N 32 122.838 122.838 124.622 -1.784 17842 7840 1 11 . 1 1 31 31 LEU C C 32 176.800 176.800 176.358 0.442 17842 7841 1 11 . 1 1 31 31 LEU CA C 32 55.107 55.107 56.403 -1.296 17842 7842 1 11 . 1 1 31 31 LEU CB C 32 42.291 42.291 42.816 -0.525 17842 7843 1 11 . 1 1 31 31 LEU H H 32 8.011 8.011 8.642 -0.631 17842 7844 1 11 . 1 1 32 32 ASP N N 33 120.740 120.740 117.906 2.834 17842 7845 1 11 . 1 1 32 32 ASP C C 33 175.863 175.863 174.562 1.301 17842 7846 1 11 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.759 -0.428 17842 7847 1 11 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.929 -1.171 17842 7848 1 11 . 1 1 32 32 ASP H H 33 8.151 8.151 8.441 -0.290 17842 7849 1 11 . 1 1 33 33 LYS N N 34 120.746 120.746 120.017 0.729 17842 7850 1 11 . 1 1 33 33 LYS C C 34 175.912 175.912 175.801 0.111 17842 7851 1 11 . 1 1 33 33 LYS CA C 34 55.865 55.865 56.554 -0.689 17842 7852 1 11 . 1 1 33 33 LYS CB C 34 32.738 32.738 32.519 0.219 17842 7853 1 11 . 1 1 33 33 LYS H H 34 7.933 7.933 7.821 0.112 17842 7854 1 11 . 1 1 34 34 VAL N N 35 121.590 121.590 122.560 -0.970 17842 7855 1 11 . 1 1 34 34 VAL C C 35 175.691 175.691 174.958 0.733 17842 7856 1 11 . 1 1 34 34 VAL CA C 35 62.186 62.186 62.273 -0.087 17842 7857 1 11 . 1 1 34 34 VAL CB C 35 32.591 32.591 31.803 0.788 17842 7858 1 11 . 1 1 34 34 VAL H H 35 7.995 7.995 8.488 -0.493 17842 7859 1 11 . 1 1 35 35 ILE N N 36 124.025 124.025 121.419 2.606 17842 7860 1 11 . 1 1 35 35 ILE C C 36 175.266 175.266 175.167 0.099 17842 7861 1 11 . 1 1 35 35 ILE CA C 36 60.495 60.495 60.294 0.201 17842 7862 1 11 . 1 1 35 35 ILE CB C 36 38.489 38.489 39.292 -0.803 17842 7863 1 11 . 1 1 35 35 ILE H H 36 8.034 8.034 7.598 0.436 17842 7864 1 11 . 1 1 36 36 ASP N N 37 125.860 125.860 124.215 1.645 17842 7865 1 11 . 1 1 36 36 ASP C C 37 175.014 175.014 174.948 0.066 17842 7866 1 11 . 1 1 36 36 ASP CA C 37 53.719 53.719 55.309 -1.590 17842 7867 1 11 . 1 1 36 36 ASP CB C 37 41.755 41.755 40.163 1.591 17842 7868 1 11 . 1 1 36 36 ASP H H 37 8.190 8.190 8.741 -0.551 17842 7869 1 11 . 1 1 37 37 ASN N N 38 120.770 120.770 120.907 -0.137 17842 7870 1 11 . 1 1 37 37 ASN C C 38 174.821 174.821 174.954 -0.133 17842 7871 1 11 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.425 -0.268 17842 7872 1 11 . 1 1 37 37 ASN CB C 38 38.663 38.663 39.788 -1.125 17842 7873 1 11 . 1 1 37 37 ASN H H 38 8.334 8.334 8.237 0.097 17842 7874 1 11 . 1 1 38 38 THR N N 39 115.976 115.976 113.644 2.332 17842 7875 1 11 . 1 1 38 38 THR C C 39 175.226 175.226 173.902 1.324 17842 7876 1 11 . 1 1 38 38 THR CA C 39 62.215 62.215 61.458 0.757 17842 7877 1 11 . 1 1 38 38 THR CB C 39 69.618 69.618 69.688 -0.070 17842 7878 1 11 . 1 1 38 38 THR H H 39 8.508 8.508 8.227 0.281 17842 7879 1 11 . 1 1 39 39 GLY N N 40 115.818 115.818 112.430 3.388 17842 7880 1 11 . 1 1 39 39 GLY C C 40 172.862 172.862 173.616 -0.754 17842 7881 1 11 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.280 0.888 17842 7882 1 11 . 1 1 39 39 GLY H H 40 8.819 8.819 8.272 0.547 17842 7883 1 11 . 1 1 40 40 THR N N 41 119.787 119.787 120.208 -0.421 17842 7884 1 11 . 1 1 40 40 THR C C 41 172.914 172.914 173.627 -0.713 17842 7885 1 11 . 1 1 40 40 THR CA C 41 61.321 61.321 62.735 -1.414 17842 7886 1 11 . 1 1 40 40 THR CB C 41 71.499 71.499 70.136 1.363 17842 7887 1 11 . 1 1 40 40 THR H H 41 8.117 8.117 8.348 -0.231 17842 7888 1 11 . 1 1 41 41 TRP N N 42 128.090 128.090 130.374 -2.284 17842 7889 1 11 . 1 1 41 41 TRP C C 42 174.627 174.627 175.034 -0.407 17842 7890 1 11 . 1 1 41 41 TRP CA C 42 55.122 55.122 55.821 -0.699 17842 7891 1 11 . 1 1 41 41 TRP CB C 42 31.905 31.905 32.336 -0.431 17842 7892 1 11 . 1 1 41 41 TRP H H 42 8.178 8.178 8.689 -0.511 17842 7893 1 11 . 1 1 42 42 GLY N N 43 109.883 109.883 113.492 -3.609 17842 7894 1 11 . 1 1 42 42 GLY C C 43 172.317 172.317 171.793 0.524 17842 7895 1 11 . 1 1 42 42 GLY CA C 43 44.176 44.176 44.394 -0.218 17842 7896 1 11 . 1 1 42 42 GLY H H 43 8.892 8.892 8.346 0.546 17842 7897 1 11 . 1 1 43 43 ILE N N 44 118.005 118.005 114.620 3.385 17842 7898 1 11 . 1 1 43 43 ILE C C 44 173.071 173.071 174.134 -1.063 17842 7899 1 11 . 1 1 43 43 ILE CA C 44 58.606 58.606 58.441 0.165 17842 7900 1 11 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.556 0.574 17842 7901 1 11 . 1 1 43 43 ILE H H 44 8.879 8.879 7.715 1.164 17842 7902 1 11 . 1 1 44 44 ARG N N 45 120.855 120.855 118.905 1.950 17842 7903 1 11 . 1 1 44 44 ARG C C 45 174.942 174.942 175.036 -0.094 17842 7904 1 11 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.652 -1.763 17842 7905 1 11 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.750 -0.798 17842 7906 1 11 . 1 1 44 44 ARG H H 45 8.708 8.708 7.953 0.755 17842 7907 1 11 . 1 1 45 45 ALA N N 46 119.127 119.127 125.340 -6.213 17842 7908 1 11 . 1 1 45 45 ALA C C 46 175.693 175.693 175.455 0.238 17842 7909 1 11 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.052 -1.432 17842 7910 1 11 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.617 0.165 17842 7911 1 11 . 1 1 45 45 ALA H H 46 8.419 8.419 8.897 -0.478 17842 7912 1 11 . 1 1 46 46 GLY N N 47 107.350 107.350 110.398 -3.048 17842 7913 1 11 . 1 1 46 46 GLY C C 47 171.353 171.353 172.177 -0.824 17842 7914 1 11 . 1 1 46 46 GLY CA C 47 45.630 45.630 46.311 -0.681 17842 7915 1 11 . 1 1 46 46 GLY H H 47 7.819 7.819 8.973 -1.154 17842 7916 1 11 . 1 1 47 47 GLN N N 48 118.061 118.061 121.196 -3.135 17842 7917 1 11 . 1 1 47 47 GLN C C 48 173.671 173.671 174.415 -0.744 17842 7918 1 11 . 1 1 47 47 GLN CA C 48 54.365 54.365 55.440 -1.075 17842 7919 1 11 . 1 1 47 47 GLN CB C 48 32.912 32.912 32.493 0.419 17842 7920 1 11 . 1 1 47 47 GLN H H 48 8.483 8.483 8.242 0.241 17842 7921 1 11 . 1 1 48 48 GLN N N 49 122.691 122.691 123.339 -0.648 17842 7922 1 11 . 1 1 48 48 GLN C C 49 173.291 173.291 174.198 -0.907 17842 7923 1 11 . 1 1 48 48 GLN CA C 49 54.593 54.593 55.325 -0.732 17842 7924 1 11 . 1 1 48 48 GLN CB C 49 30.750 30.750 32.745 -1.995 17842 7925 1 11 . 1 1 48 48 GLN H H 49 9.319 9.319 8.489 0.830 17842 7926 1 11 . 1 1 49 49 PHE N N 50 126.379 126.379 124.288 2.091 17842 7927 1 11 . 1 1 49 49 PHE C C 50 175.918 175.918 176.968 -1.050 17842 7928 1 11 . 1 1 49 49 PHE CA C 50 55.013 55.013 56.070 -1.057 17842 7929 1 11 . 1 1 49 49 PHE CB C 50 39.974 39.974 41.707 -1.733 17842 7930 1 11 . 1 1 49 49 PHE H H 50 8.781 8.781 8.412 0.369 17842 7931 1 11 . 1 1 50 50 GLU N N 51 121.087 121.087 119.504 1.583 17842 7932 1 11 . 1 1 50 50 GLU C C 51 178.452 178.452 176.586 1.866 17842 7933 1 11 . 1 1 50 50 GLU CA C 51 60.435 60.435 59.554 0.881 17842 7934 1 11 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.444 -0.758 17842 7935 1 11 . 1 1 50 50 GLU H H 51 8.975 8.975 8.069 0.906 17842 7936 1 11 . 1 1 51 51 GLN N N 52 111.198 111.198 114.995 -3.797 17842 7937 1 11 . 1 1 51 51 GLN C C 52 176.031 176.031 175.490 0.541 17842 7938 1 11 . 1 1 51 51 GLN CA C 52 55.836 55.836 54.552 1.284 17842 7939 1 11 . 1 1 51 51 GLN CB C 52 28.617 28.617 28.942 -0.324 17842 7940 1 11 . 1 1 51 51 GLN H H 52 7.955 7.955 7.887 0.068 17842 7941 1 11 . 1 1 52 52 GLY N N 53 110.800 110.800 108.329 2.471 17842 7942 1 11 . 1 1 52 52 GLY C C 53 169.076 169.076 173.991 -4.915 17842 7943 1 11 . 1 1 52 52 GLY CA C 53 45.303 45.303 45.815 -0.512 17842 7944 1 11 . 1 1 52 52 GLY H H 53 6.696 6.696 7.800 -1.104 17842 7945 1 11 . 1 1 53 53 ARG N N 54 111.857 111.857 117.931 -6.074 17842 7946 1 11 . 1 1 53 53 ARG C C 54 172.397 172.397 173.630 -1.233 17842 7947 1 11 . 1 1 53 53 ARG CA C 54 54.227 54.227 56.522 -2.295 17842 7948 1 11 . 1 1 53 53 ARG CB C 54 31.755 31.755 32.060 -0.306 17842 7949 1 11 . 1 1 53 53 ARG H H 54 8.216 8.216 8.756 -0.540 17842 7950 1 11 . 1 1 54 54 TYR N N 55 116.379 116.379 118.450 -2.071 17842 7951 1 11 . 1 1 54 54 TYR C C 55 175.461 175.461 174.399 1.062 17842 7952 1 11 . 1 1 54 54 TYR CA C 55 55.296 55.296 56.596 -1.300 17842 7953 1 11 . 1 1 54 54 TYR CB C 55 41.539 41.539 43.346 -1.807 17842 7954 1 11 . 1 1 54 54 TYR H H 55 8.477 8.477 8.716 -0.239 17842 7955 1 11 . 1 1 55 55 TYR N N 56 114.651 114.651 116.821 -2.170 17842 7956 1 11 . 1 1 55 55 TYR C C 56 173.431 173.431 172.530 0.901 17842 7957 1 11 . 1 1 55 55 TYR CA C 56 55.886 55.886 56.558 -0.672 17842 7958 1 11 . 1 1 55 55 TYR CB C 56 37.595 37.595 39.386 -1.792 17842 7959 1 11 . 1 1 55 55 TYR H H 56 8.221 8.221 7.869 0.352 17842 7960 1 11 . 1 1 56 56 ALA N N 57 125.460 125.460 127.714 -2.254 17842 7961 1 11 . 1 1 56 56 ALA C C 57 175.737 175.737 176.846 -1.109 17842 7962 1 11 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.297 -1.149 17842 7963 1 11 . 1 1 56 56 ALA CB C 57 20.777 20.777 21.274 -0.497 17842 7964 1 11 . 1 1 56 56 ALA H H 57 9.034 9.034 8.384 0.650 17842 7965 1 11 . 1 1 57 57 THR N N 58 116.923 116.923 114.410 2.513 17842 7966 1 11 . 1 1 57 57 THR C C 58 173.462 173.462 173.495 -0.033 17842 7967 1 11 . 1 1 57 57 THR CA C 58 61.458 61.458 60.276 1.182 17842 7968 1 11 . 1 1 57 57 THR CB C 58 71.683 71.683 70.738 0.945 17842 7969 1 11 . 1 1 57 57 THR H H 58 8.907 8.907 8.653 0.254 17842 7970 1 11 . 1 1 58 58 TYR N N 59 126.784 126.784 126.233 0.551 17842 7971 1 11 . 1 1 58 58 TYR C C 59 173.954 173.954 175.044 -1.090 17842 7972 1 11 . 1 1 58 58 TYR CA C 59 55.682 55.682 57.997 -2.315 17842 7973 1 11 . 1 1 58 58 TYR CB C 59 41.320 41.320 39.410 1.910 17842 7974 1 11 . 1 1 58 58 TYR H H 59 8.974 8.974 8.302 0.672 17842 7975 1 11 . 1 1 59 59 GLU N N 60 124.211 124.211 122.548 1.663 17842 7976 1 11 . 1 1 59 59 GLU C C 60 173.989 173.989 175.132 -1.143 17842 7977 1 11 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.519 -1.595 17842 7978 1 11 . 1 1 59 59 GLU CB C 60 33.742 33.742 34.118 -0.376 17842 7979 1 11 . 1 1 59 59 GLU H H 60 8.049 8.049 8.281 -0.232 17842 7980 1 11 . 1 1 60 60 ASN N N 61 118.358 118.358 116.267 2.091 17842 7981 1 11 . 1 1 60 60 ASN C C 61 173.609 173.609 174.327 -0.718 17842 7982 1 11 . 1 1 60 60 ASN CA C 61 52.281 52.281 52.773 -0.492 17842 7983 1 11 . 1 1 60 60 ASN H H 61 8.155 8.155 8.440 -0.285 17842 7984 1 11 . 1 1 61 61 ILE C C 62 174.902 174.902 175.216 -0.314 17842 7985 1 11 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.883 0.097 17842 7986 1 11 . 1 1 61 61 ILE CB C 62 40.772 40.772 39.402 1.370 17842 7987 1 11 . 1 1 62 62 SER N N 63 121.368 121.368 121.447 -0.079 17842 7988 1 11 . 1 1 62 62 SER C C 63 173.027 173.027 172.982 0.045 17842 7989 1 11 . 1 1 62 62 SER CA C 63 57.295 57.295 59.282 -1.987 17842 7990 1 11 . 1 1 62 62 SER CB C 63 64.306 64.306 62.826 1.480 17842 7991 1 11 . 1 1 62 62 SER H H 63 8.339 8.339 8.628 -0.289 17842 7992 1 11 . 1 1 63 63 ASP N N 64 124.300 124.300 123.283 1.017 17842 7993 1 11 . 1 1 63 63 ASP C C 64 176.570 176.570 174.804 1.766 17842 7994 1 11 . 1 1 63 63 ASP CA C 64 53.291 53.291 54.397 -1.106 17842 7995 1 11 . 1 1 63 63 ASP CB C 64 42.484 42.484 42.250 0.234 17842 7996 1 11 . 1 1 63 63 ASP H H 64 8.596 8.596 8.442 0.154 17842 7997 1 11 . 1 1 64 64 THR N N 65 116.756 116.756 115.567 1.189 17842 7998 1 11 . 1 1 64 64 THR C C 65 175.975 175.975 175.451 0.524 17842 7999 1 11 . 1 1 64 64 THR CA C 65 61.608 61.608 63.099 -1.491 17842 8000 1 11 . 1 1 64 64 THR CB C 65 68.856 68.856 70.046 -1.190 17842 8001 1 11 . 1 1 64 64 THR H H 65 8.581 8.581 8.466 0.115 17842 8002 1 11 . 1 1 65 65 SER N N 66 119.276 119.276 117.664 1.612 17842 8003 1 11 . 1 1 65 65 SER CA C 66 59.728 59.728 60.062 -0.334 17842 8004 1 11 . 1 1 65 65 SER CB C 66 63.514 63.514 63.434 0.080 17842 8005 1 11 . 1 1 65 65 SER H H 66 8.492 8.492 8.180 0.312 17842 8006 1 11 . 1 1 66 66 SER C C 67 175.122 175.122 175.753 -0.631 17842 8007 1 11 . 1 1 66 66 SER CA C 67 58.554 58.554 60.522 -1.968 17842 8008 1 11 . 1 1 67 67 GLY N N 68 110.266 110.266 108.758 1.508 17842 8009 1 11 . 1 1 67 67 GLY C C 68 173.832 173.832 173.961 -0.129 17842 8010 1 11 . 1 1 67 67 GLY CA C 68 45.207 45.207 45.637 -0.430 17842 8011 1 11 . 1 1 67 67 GLY H H 68 8.184 8.184 8.702 -0.518 17842 8012 1 11 . 1 1 68 68 ASN N N 69 118.584 118.584 121.022 -2.438 17842 8013 1 11 . 1 1 68 68 ASN C C 69 174.239 174.239 173.854 0.385 17842 8014 1 11 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.602 0.128 17842 8015 1 11 . 1 1 68 68 ASN CB C 69 38.938 38.938 40.745 -1.807 17842 8016 1 11 . 1 1 68 68 ASN H H 69 7.972 7.972 8.207 -0.235 17842 8017 1 11 . 1 1 72 72 GLN C C 73 173.610 173.610 173.478 0.132 17842 8018 1 11 . 1 1 72 72 GLN CA C 73 53.449 53.449 55.222 -1.773 17842 8019 1 11 . 1 1 73 73 GLN N N 74 123.659 123.659 119.490 4.169 17842 8020 1 11 . 1 1 73 73 GLN C C 74 173.276 173.276 174.633 -1.357 17842 8021 1 11 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.644 -1.099 17842 8022 1 11 . 1 1 73 73 GLN CB C 74 34.344 34.344 33.207 1.137 17842 8023 1 11 . 1 1 73 73 GLN H H 74 8.697 8.697 8.080 0.617 17842 8024 1 11 . 1 1 74 74 ASN N N 75 118.720 118.720 118.430 0.290 17842 8025 1 11 . 1 1 74 74 ASN C C 75 173.733 173.733 173.974 -0.241 17842 8026 1 11 . 1 1 74 74 ASN CA C 75 50.269 50.269 53.040 -2.771 17842 8027 1 11 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.606 -1.536 17842 8028 1 11 . 1 1 74 74 ASN H H 75 8.295 8.295 8.215 0.080 17842 8029 1 11 . 1 1 75 75 LEU N N 76 124.353 124.353 124.556 -0.203 17842 8030 1 11 . 1 1 75 75 LEU C C 76 174.267 174.267 174.773 -0.506 17842 8031 1 11 . 1 1 75 75 LEU CA C 76 53.916 53.916 54.253 -0.337 17842 8032 1 11 . 1 1 75 75 LEU CB C 76 44.633 44.633 43.355 1.278 17842 8033 1 11 . 1 1 75 75 LEU H H 76 8.847 8.847 9.078 -0.231 17842 8034 1 11 . 1 1 76 76 LEU N N 77 124.437 124.437 125.918 -1.481 17842 8035 1 11 . 1 1 76 76 LEU C C 77 175.188 175.188 175.821 -0.633 17842 8036 1 11 . 1 1 76 76 LEU CA C 77 52.934 52.934 53.648 -0.714 17842 8037 1 11 . 1 1 76 76 LEU CB C 77 45.115 45.115 45.110 0.005 17842 8038 1 11 . 1 1 76 76 LEU H H 77 9.222 9.222 8.082 1.140 17842 8039 1 11 . 1 1 77 77 GLY N N 78 107.288 107.288 112.606 -5.318 17842 8040 1 11 . 1 1 77 77 GLY C C 78 171.733 171.733 172.779 -1.046 17842 8041 1 11 . 1 1 77 77 GLY CA C 78 44.160 44.160 44.459 -0.299 17842 8042 1 11 . 1 1 77 77 GLY H H 78 9.132 9.132 8.649 0.483 17842 8043 1 11 . 1 1 78 78 SER N N 79 117.437 117.437 119.797 -2.360 17842 8044 1 11 . 1 1 78 78 SER C C 79 171.279 171.279 171.799 -0.520 17842 8045 1 11 . 1 1 78 78 SER CA C 79 57.272 57.272 56.981 0.291 17842 8046 1 11 . 1 1 78 78 SER CB C 79 65.596 65.596 65.994 -0.398 17842 8047 1 11 . 1 1 78 78 SER H H 79 8.210 8.210 7.214 0.996 17842 8048 1 11 . 1 1 79 79 TYR N N 80 122.901 122.901 126.623 -3.722 17842 8049 1 11 . 1 1 79 79 TYR C C 80 173.757 173.757 174.067 -0.310 17842 8050 1 11 . 1 1 79 79 TYR CA C 80 56.243 56.243 57.476 -1.233 17842 8051 1 11 . 1 1 79 79 TYR CB C 80 42.570 42.570 40.431 2.139 17842 8052 1 11 . 1 1 79 79 TYR H H 80 8.092 8.092 7.828 0.264 17842 8053 1 11 . 1 1 80 80 ASP N N 81 122.808 122.808 127.585 -4.777 17842 8054 1 11 . 1 1 80 80 ASP C C 81 173.607 173.607 173.641 -0.034 17842 8055 1 11 . 1 1 80 80 ASP CA C 81 52.665 52.665 53.000 -0.335 17842 8056 1 11 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.342 0.445 17842 8057 1 11 . 1 1 80 80 ASP H H 81 8.268 8.268 8.541 -0.273 17842 8058 1 11 . 1 1 81 81 ALA N N 82 121.201 121.201 121.110 0.091 17842 8059 1 11 . 1 1 81 81 ALA C C 82 177.094 177.094 175.926 1.168 17842 8060 1 11 . 1 1 81 81 ALA CA C 82 49.745 49.745 51.102 -1.357 17842 8061 1 11 . 1 1 81 81 ALA CB C 82 21.511 21.511 21.451 0.060 17842 8062 1 11 . 1 1 81 81 ALA H H 82 8.931 8.931 8.534 0.397 17842 8063 1 11 . 1 1 82 82 PHE N N 83 116.305 116.305 120.889 -4.584 17842 8064 1 11 . 1 1 82 82 PHE C C 83 176.299 176.299 173.853 2.446 17842 8065 1 11 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.457 -2.793 17842 8066 1 11 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.398 0.723 17842 8067 1 11 . 1 1 82 82 PHE H H 83 7.404 7.404 8.283 -0.879 17842 8068 1 11 . 1 1 83 83 LEU N N 84 122.208 122.208 119.371 2.837 17842 8069 1 11 . 1 1 83 83 LEU C C 84 173.599 173.599 174.525 -0.926 17842 8070 1 11 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.498 -0.625 17842 8071 1 11 . 1 1 83 83 LEU CB C 84 45.366 45.366 47.285 -1.919 17842 8072 1 11 . 1 1 83 83 LEU H H 84 9.049 9.049 8.036 1.013 17842 8073 1 11 . 1 1 84 84 PRO C C 85 175.877 175.877 175.969 -0.092 17842 8074 1 11 . 1 1 84 84 PRO CA C 85 63.041 63.041 62.590 0.451 17842 8075 1 11 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.444 0.042 17842 8076 1 11 . 1 1 85 85 ILE N N 86 119.588 119.588 126.738 -7.150 17842 8077 1 11 . 1 1 85 85 ILE C C 86 175.749 175.749 175.990 -0.241 17842 8078 1 11 . 1 1 85 85 ILE CA C 86 59.267 59.267 59.904 -0.637 17842 8079 1 11 . 1 1 85 85 ILE CB C 86 39.835 39.835 36.315 3.520 17842 8080 1 11 . 1 1 85 85 ILE H H 86 8.205 8.205 7.869 0.336 17842 8081 1 11 . 1 1 86 86 GLY N N 87 112.396 112.396 117.047 -4.651 17842 8082 1 11 . 1 1 86 86 GLY C C 87 174.218 174.218 173.689 0.529 17842 8083 1 11 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.610 0.082 17842 8084 1 11 . 1 1 86 86 GLY H H 87 8.364 8.364 8.761 -0.397 17842 8085 1 11 . 1 1 87 87 ASP N N 88 122.109 122.109 120.606 1.503 17842 8086 1 11 . 1 1 87 87 ASP C C 88 175.839 175.839 174.894 0.945 17842 8087 1 11 . 1 1 87 87 ASP CA C 88 53.535 53.535 55.524 -1.989 17842 8088 1 11 . 1 1 87 87 ASP CB C 88 41.132 41.132 41.029 0.103 17842 8089 1 11 . 1 1 87 87 ASP H H 88 8.249 8.249 8.556 -0.307 17842 8090 1 11 . 1 1 88 88 ASN N N 89 116.308 116.308 117.149 -0.841 17842 8091 1 11 . 1 1 88 88 ASN C C 89 175.100 175.100 174.391 0.709 17842 8092 1 11 . 1 1 88 88 ASN CA C 89 53.922 53.922 53.934 -0.013 17842 8093 1 11 . 1 1 88 88 ASN CB C 89 38.183 38.183 39.041 -0.858 17842 8094 1 11 . 1 1 88 88 ASN H H 89 8.449 8.449 8.567 -0.118 17842 8095 1 11 . 1 1 89 89 ASN N N 90 115.987 115.987 117.070 -1.083 17842 8096 1 11 . 1 1 89 89 ASN C C 90 173.909 173.909 174.030 -0.121 17842 8097 1 11 . 1 1 89 89 ASN CA C 90 54.386 54.386 53.438 0.948 17842 8098 1 11 . 1 1 89 89 ASN CB C 90 37.657 37.657 40.628 -2.971 17842 8099 1 11 . 1 1 89 89 ASN H H 90 8.477 8.477 8.567 -0.090 17842 8100 1 11 . 1 1 90 90 THR N N 91 116.991 116.991 109.000 7.991 17842 8101 1 11 . 1 1 90 90 THR C C 91 173.763 173.763 173.023 0.740 17842 8102 1 11 . 1 1 90 90 THR CA C 91 62.170 62.170 60.899 1.271 17842 8103 1 11 . 1 1 90 90 THR CB C 91 68.706 68.706 72.012 -3.306 17842 8104 1 11 . 1 1 90 90 THR H H 91 7.600 7.600 7.674 -0.074 17842 8105 1 11 . 1 1 91 91 LYS N N 92 124.349 124.349 124.245 0.104 17842 8106 1 11 . 1 1 91 91 LYS C C 92 175.815 175.815 176.306 -0.491 17842 8107 1 11 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.090 -0.684 17842 8108 1 11 . 1 1 91 91 LYS CB C 92 34.498 34.498 34.282 0.216 17842 8109 1 11 . 1 1 91 91 LYS H H 92 9.249 9.249 8.521 0.728 17842 8110 1 11 . 1 1 92 92 LEU N N 93 123.462 123.462 128.848 -5.386 17842 8111 1 11 . 1 1 92 92 LEU C C 93 176.260 176.260 175.366 0.894 17842 8112 1 11 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.380 -1.550 17842 8113 1 11 . 1 1 92 92 LEU CB C 93 43.614 43.614 41.838 1.776 17842 8114 1 11 . 1 1 92 92 LEU H H 93 8.650 8.650 8.642 0.008 17842 8115 1 11 . 1 1 93 93 PHE N N 94 119.497 119.497 127.963 -8.466 17842 8116 1 11 . 1 1 93 93 PHE C C 94 173.154 173.154 174.973 -1.819 17842 8117 1 11 . 1 1 93 93 PHE CA C 94 55.136 55.136 55.105 0.031 17842 8118 1 11 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.789 1.304 17842 8119 1 11 . 1 1 93 93 PHE H H 94 8.485 8.485 7.970 0.515 17842 8120 1 11 . 1 1 94 94 GLY N N 95 105.945 105.945 110.823 -4.878 17842 8121 1 11 . 1 1 94 94 GLY C C 95 171.815 171.815 171.912 -0.097 17842 8122 1 11 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.094 -0.712 17842 8123 1 11 . 1 1 94 94 GLY H H 95 8.256 8.256 7.704 0.552 17842 8124 1 11 . 1 1 95 95 GLY N N 96 110.432 110.432 107.781 2.651 17842 8125 1 11 . 1 1 95 95 GLY C C 96 171.826 171.826 172.141 -0.315 17842 8126 1 11 . 1 1 95 95 GLY CA C 96 46.886 46.886 46.157 0.729 17842 8127 1 11 . 1 1 95 95 GLY H H 96 9.005 9.005 8.250 0.755 17842 8128 1 11 . 1 1 96 96 ALA N N 97 117.509 117.509 123.129 -5.620 17842 8129 1 11 . 1 1 96 96 ALA C C 97 176.928 176.928 176.362 0.566 17842 8130 1 11 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.072 -0.671 17842 8131 1 11 . 1 1 96 96 ALA CB C 97 23.425 23.425 21.886 1.540 17842 8132 1 11 . 1 1 96 96 ALA H H 97 8.039 8.039 8.717 -0.678 17842 8133 1 11 . 1 1 97 97 THR N N 98 118.891 118.891 108.633 10.258 17842 8134 1 11 . 1 1 97 97 THR C C 98 172.492 172.492 173.226 -0.734 17842 8135 1 11 . 1 1 97 97 THR CA C 98 61.730 61.730 60.640 1.090 17842 8136 1 11 . 1 1 97 97 THR CB C 98 73.046 73.046 72.343 0.703 17842 8137 1 11 . 1 1 97 97 THR H H 98 8.379 8.379 8.089 0.290 17842 8138 1 11 . 1 1 98 98 LEU N N 99 124.958 124.958 121.512 3.446 17842 8139 1 11 . 1 1 98 98 LEU C C 99 175.753 175.753 174.886 0.867 17842 8140 1 11 . 1 1 98 98 LEU CA C 99 53.474 53.474 55.055 -1.581 17842 8141 1 11 . 1 1 98 98 LEU CB C 99 47.243 47.243 46.144 1.099 17842 8142 1 11 . 1 1 98 98 LEU H H 99 8.880 8.880 8.417 0.463 17842 8143 1 11 . 1 1 99 99 GLY N N 100 106.645 106.645 113.010 -6.365 17842 8144 1 11 . 1 1 99 99 GLY C C 100 169.886 169.886 171.910 -2.024 17842 8145 1 11 . 1 1 99 99 GLY CA C 100 46.631 46.631 44.814 1.817 17842 8146 1 11 . 1 1 99 99 GLY H H 100 8.635 8.635 8.501 0.134 17842 8147 1 11 . 1 1 100 100 LEU N N 101 121.823 121.823 126.620 -4.797 17842 8148 1 11 . 1 1 100 100 LEU C C 101 174.876 174.876 174.732 0.144 17842 8149 1 11 . 1 1 100 100 LEU CA C 101 53.071 53.071 53.920 -0.849 17842 8150 1 11 . 1 1 100 100 LEU CB C 101 46.646 46.646 45.685 0.960 17842 8151 1 11 . 1 1 100 100 LEU H H 101 9.088 9.088 8.742 0.346 17842 8152 1 11 . 1 1 101 101 VAL N N 102 118.857 118.857 125.010 -6.153 17842 8153 1 11 . 1 1 101 101 VAL C C 102 174.015 174.015 174.970 -0.955 17842 8154 1 11 . 1 1 101 101 VAL CA C 102 59.666 59.666 60.544 -0.878 17842 8155 1 11 . 1 1 101 101 VAL CB C 102 35.406 35.406 33.634 1.772 17842 8156 1 11 . 1 1 101 101 VAL H H 102 8.291 8.291 8.567 -0.276 17842 8157 1 11 . 1 1 102 102 LYS N N 103 126.552 126.552 125.100 1.452 17842 8158 1 11 . 1 1 102 102 LYS C C 103 174.712 174.712 174.456 0.256 17842 8159 1 11 . 1 1 102 102 LYS CA C 103 54.433 54.433 54.715 -0.282 17842 8160 1 11 . 1 1 102 102 LYS CB C 103 35.733 35.733 35.803 -0.070 17842 8161 1 11 . 1 1 102 102 LYS H H 103 9.141 9.141 7.993 1.148 17842 8162 1 11 . 1 1 103 103 LEU N N 104 129.605 129.605 125.122 4.483 17842 8163 1 11 . 1 1 103 103 LEU C C 104 175.344 175.344 176.260 -0.916 17842 8164 1 11 . 1 1 103 103 LEU CA C 104 53.492 53.492 54.313 -0.821 17842 8165 1 11 . 1 1 103 103 LEU CB C 104 45.004 45.004 43.961 1.043 17842 8166 1 11 . 1 1 103 103 LEU H H 104 8.921 8.921 8.659 0.262 17842 8167 1 11 . 1 1 104 104 GLU C C 105 174.715 174.715 175.559 -0.844 17842 8168 1 11 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.294 -0.668 17842 8169 1 11 . 1 1 104 104 GLU CB C 105 33.055 33.055 32.217 0.838 17842 8170 1 11 . 1 1 105 105 GLN N N 106 121.991 121.991 121.311 0.680 17842 8171 1 11 . 1 1 105 105 GLN C C 106 175.002 175.002 175.563 -0.561 17842 8172 1 11 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.797 -1.118 17842 8173 1 11 . 1 1 105 105 GLN CB C 106 30.252 30.252 29.240 1.012 17842 8174 1 11 . 1 1 105 105 GLN H H 106 8.532 8.532 8.408 0.124 17842 8175 1 11 . 1 1 106 106 ASP N N 107 123.884 123.884 124.195 -0.311 17842 8176 1 11 . 1 1 106 106 ASP C C 107 176.352 176.352 177.443 -1.091 17842 8177 1 11 . 1 1 106 106 ASP CA C 107 54.108 54.108 55.197 -1.089 17842 8178 1 11 . 1 1 106 106 ASP CB C 107 41.448 41.448 41.278 0.170 17842 8179 1 11 . 1 1 106 106 ASP H H 107 8.414 8.414 8.731 -0.317 17842 8180 1 11 . 1 1 107 107 GLY N N 108 110.294 110.294 106.106 4.188 17842 8181 1 11 . 1 1 107 107 GLY C C 108 174.111 174.111 173.510 0.601 17842 8182 1 11 . 1 1 107 107 GLY CA C 108 44.992 44.992 44.832 0.160 17842 8183 1 11 . 1 1 107 107 GLY H H 108 8.226 8.226 8.461 -0.235 17842 8184 1 11 . 1 1 108 108 LYS N N 109 121.045 121.045 119.928 1.117 17842 8185 1 11 . 1 1 108 108 LYS C C 109 176.988 176.988 175.968 1.020 17842 8186 1 11 . 1 1 108 108 LYS CA C 109 56.243 56.243 55.207 1.036 17842 8187 1 11 . 1 1 108 108 LYS CB C 109 31.957 31.957 33.072 -1.115 17842 8188 1 11 . 1 1 108 108 LYS H H 109 8.130 8.130 7.777 0.353 17842 8189 1 11 . 1 1 109 109 GLY N N 110 109.975 109.975 110.598 -0.623 17842 8190 1 11 . 1 1 109 109 GLY C C 110 173.856 173.856 174.197 -0.341 17842 8191 1 11 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.273 0.696 17842 8192 1 11 . 1 1 109 109 GLY H H 110 8.313 8.313 8.349 -0.036 17842 8193 1 11 . 1 1 110 110 PHE N N 111 119.873 119.873 123.772 -3.899 17842 8194 1 11 . 1 1 110 110 PHE C C 111 175.195 175.195 174.942 0.253 17842 8195 1 11 . 1 1 110 110 PHE CA C 111 57.334 57.334 57.681 -0.347 17842 8196 1 11 . 1 1 110 110 PHE CB C 111 39.311 39.311 38.773 0.538 17842 8197 1 11 . 1 1 110 110 PHE H H 111 7.848 7.848 8.568 -0.720 17842 8198 1 11 . 1 1 111 111 LYS N N 112 122.900 122.900 125.857 -2.957 17842 8199 1 11 . 1 1 111 111 LYS C C 112 175.898 175.898 175.341 0.557 17842 8200 1 11 . 1 1 111 111 LYS CA C 112 55.928 55.928 54.442 1.486 17842 8201 1 11 . 1 1 111 111 LYS CB C 112 32.741 32.741 34.724 -1.983 17842 8202 1 11 . 1 1 111 111 LYS H H 112 8.073 8.073 8.036 0.037 17842 8203 1 11 . 1 1 112 112 ARG N N 113 123.302 123.302 122.203 1.099 17842 8204 1 11 . 1 1 112 112 ARG C C 113 175.762 175.762 175.387 0.375 17842 8205 1 11 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.512 -0.635 17842 8206 1 11 . 1 1 112 112 ARG CB C 113 30.678 30.678 29.661 1.017 17842 8207 1 11 . 1 1 112 112 ARG H H 113 8.277 8.277 8.441 -0.164 17842 8208 1 11 . 1 1 113 113 ASP N N 114 122.193 122.193 123.116 -0.923 17842 8209 1 11 . 1 1 113 113 ASP C C 114 175.875 175.875 175.357 0.518 17842 8210 1 11 . 1 1 113 113 ASP CA C 114 54.219 54.219 53.173 1.046 17842 8211 1 11 . 1 1 113 113 ASP CB C 114 41.279 41.279 42.338 -1.059 17842 8212 1 11 . 1 1 113 113 ASP H H 114 8.300 8.300 8.123 0.177 17842 8213 1 11 . 1 1 114 114 SER N N 115 114.844 114.844 113.938 0.906 17842 8214 1 11 . 1 1 114 114 SER C C 115 173.567 173.567 172.324 1.243 17842 8215 1 11 . 1 1 114 114 SER CA C 115 57.538 57.538 58.946 -1.408 17842 8216 1 11 . 1 1 114 114 SER CB C 115 64.306 64.306 63.380 0.926 17842 8217 1 11 . 1 1 114 114 SER H H 115 8.071 8.071 8.602 -0.531 17842 8218 1 11 . 1 1 115 115 ASP N N 116 122.371 122.371 123.691 -1.320 17842 8219 1 11 . 1 1 115 115 ASP C C 116 175.096 175.096 174.632 0.464 17842 8220 1 11 . 1 1 115 115 ASP CA C 116 53.960 53.960 54.158 -0.198 17842 8221 1 11 . 1 1 115 115 ASP CB C 116 42.394 42.394 41.696 0.698 17842 8222 1 11 . 1 1 115 115 ASP H H 116 8.400 8.400 8.469 -0.069 17842 8223 1 11 . 1 1 116 116 VAL N N 117 120.462 120.462 123.329 -2.867 17842 8224 1 11 . 1 1 116 116 VAL C C 117 175.349 175.349 175.140 0.209 17842 8225 1 11 . 1 1 116 116 VAL CA C 117 60.785 60.785 60.321 0.464 17842 8226 1 11 . 1 1 116 116 VAL CB C 117 33.507 33.507 33.089 0.418 17842 8227 1 11 . 1 1 116 116 VAL H H 117 8.014 8.014 8.082 -0.068 17842 8228 1 11 . 1 1 117 117 GLY N N 118 112.807 112.807 115.185 -2.378 17842 8229 1 11 . 1 1 117 117 GLY C C 118 172.079 172.079 172.315 -0.236 17842 8230 1 11 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.012 -0.757 17842 8231 1 11 . 1 1 117 117 GLY H H 118 8.871 8.871 8.012 0.859 17842 8232 1 11 . 1 1 118 118 TYR N N 119 117.704 117.704 119.627 -1.923 17842 8233 1 11 . 1 1 118 118 TYR C C 119 175.024 175.024 173.755 1.269 17842 8234 1 11 . 1 1 118 118 TYR CA C 119 55.968 55.968 57.156 -1.188 17842 8235 1 11 . 1 1 118 118 TYR CB C 119 41.089 41.089 41.447 -0.358 17842 8236 1 11 . 1 1 118 118 TYR H H 119 8.406 8.406 7.820 0.586 17842 8237 1 11 . 1 1 119 119 ALA N N 120 122.050 122.050 127.075 -5.025 17842 8238 1 11 . 1 1 119 119 ALA C C 120 175.218 175.218 175.623 -0.405 17842 8239 1 11 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.601 0.060 17842 8240 1 11 . 1 1 119 119 ALA CB C 120 23.187 23.187 22.842 0.345 17842 8241 1 11 . 1 1 119 119 ALA H H 120 8.605 8.605 8.881 -0.276 17842 8242 1 11 . 1 1 120 120 ALA N N 121 119.839 119.839 123.564 -3.725 17842 8243 1 11 . 1 1 120 120 ALA C C 121 175.881 175.881 175.732 0.149 17842 8244 1 11 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.517 -2.176 17842 8245 1 11 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.349 1.116 17842 8246 1 11 . 1 1 120 120 ALA H H 121 8.476 8.476 8.094 0.382 17842 8247 1 11 . 1 1 121 121 GLY N N 122 107.807 107.807 109.456 -1.649 17842 8248 1 11 . 1 1 121 121 GLY C C 122 171.191 171.191 172.285 -1.094 17842 8249 1 11 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.827 0.238 17842 8250 1 11 . 1 1 121 121 GLY H H 122 8.931 8.931 8.058 0.873 17842 8251 1 11 . 1 1 122 122 LEU N N 123 118.400 118.400 119.151 -0.751 17842 8252 1 11 . 1 1 122 122 LEU C C 123 174.684 174.684 174.255 0.429 17842 8253 1 11 . 1 1 122 122 LEU CA C 123 53.227 53.227 55.068 -1.841 17842 8254 1 11 . 1 1 122 122 LEU CB C 123 48.385 48.385 47.114 1.271 17842 8255 1 11 . 1 1 122 122 LEU H H 123 8.351 8.351 8.838 -0.487 17842 8256 1 11 . 1 1 123 123 GLN N N 124 113.455 113.455 117.706 -4.251 17842 8257 1 11 . 1 1 123 123 GLN C C 124 173.895 173.895 173.574 0.321 17842 8258 1 11 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.394 -0.390 17842 8259 1 11 . 1 1 123 123 GLN CB C 124 28.135 28.135 33.646 -5.511 17842 8260 1 11 . 1 1 123 123 GLN H H 124 8.159 8.159 8.205 -0.046 17842 8261 1 11 . 1 1 124 124 ALA N N 125 118.711 118.711 121.036 -2.325 17842 8262 1 11 . 1 1 124 124 ALA C C 125 174.962 174.962 174.925 0.037 17842 8263 1 11 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.435 -1.639 17842 8264 1 11 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.227 0.780 17842 8265 1 11 . 1 1 124 124 ALA H H 125 8.638 8.638 8.084 0.554 17842 8266 1 11 . 1 1 125 125 GLY N N 126 103.783 103.783 108.328 -4.545 17842 8267 1 11 . 1 1 125 125 GLY C C 126 170.390 170.390 172.236 -1.846 17842 8268 1 11 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.674 0.736 17842 8269 1 11 . 1 1 125 125 GLY H H 126 7.103 7.103 8.726 -1.623 17842 8270 1 11 . 1 1 126 126 ILE N N 127 118.306 118.306 116.399 1.907 17842 8271 1 11 . 1 1 126 126 ILE C C 127 172.353 172.353 174.176 -1.823 17842 8272 1 11 . 1 1 126 126 ILE CA C 127 58.593 58.593 61.180 -2.587 17842 8273 1 11 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.005 1.159 17842 8274 1 11 . 1 1 126 126 ILE H H 127 8.564 8.564 8.010 0.554 17842 8275 1 11 . 1 1 127 127 LEU N N 128 129.339 129.339 126.800 2.539 17842 8276 1 11 . 1 1 127 127 LEU C C 128 173.613 173.613 176.788 -3.175 17842 8277 1 11 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.301 -0.773 17842 8278 1 11 . 1 1 127 127 LEU CB C 128 46.804 46.804 42.027 4.777 17842 8279 1 11 . 1 1 127 127 LEU H H 128 9.236 9.236 8.269 0.967 17842 8280 1 11 . 1 1 128 128 GLN N N 129 126.801 126.801 122.852 3.949 17842 8281 1 11 . 1 1 128 128 GLN C C 129 175.093 175.093 175.125 -0.032 17842 8282 1 11 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.541 -1.347 17842 8283 1 11 . 1 1 128 128 GLN CB C 129 30.947 30.947 30.761 0.186 17842 8284 1 11 . 1 1 128 128 GLN H H 129 9.352 9.352 9.133 0.219 17842 8285 1 11 . 1 1 129 129 GLU N N 130 126.822 126.822 120.972 5.850 17842 8286 1 11 . 1 1 129 129 GLU C C 130 176.651 176.651 175.781 0.870 17842 8287 1 11 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.642 0.539 17842 8288 1 11 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.789 -4.028 17842 8289 1 11 . 1 1 129 129 GLU H H 130 8.518 8.518 8.781 -0.263 17842 8290 1 11 . 1 1 130 130 LEU N N 131 126.031 126.031 124.391 1.640 17842 8291 1 11 . 1 1 130 130 LEU C C 131 176.044 176.044 177.199 -1.155 17842 8292 1 11 . 1 1 130 130 LEU CA C 131 55.175 55.175 56.126 -0.951 17842 8293 1 11 . 1 1 130 130 LEU CB C 131 43.855 43.855 44.228 -0.373 17842 8294 1 11 . 1 1 130 130 LEU H H 131 8.708 8.708 8.500 0.208 17842 8295 1 11 . 1 1 131 131 SER N N 132 113.049 113.049 111.634 1.415 17842 8296 1 11 . 1 1 131 131 SER C C 132 174.092 174.092 173.572 0.520 17842 8297 1 11 . 1 1 131 131 SER CA C 132 55.993 55.993 57.670 -1.677 17842 8298 1 11 . 1 1 131 131 SER CB C 132 64.945 64.945 63.664 1.281 17842 8299 1 11 . 1 1 131 131 SER H H 132 8.282 8.282 7.976 0.306 17842 8300 1 11 . 1 1 132 132 LYS C C 133 176.346 176.346 175.391 0.955 17842 8301 1 11 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.929 1.568 17842 8302 1 11 . 1 1 132 132 LYS CB C 133 31.009 31.009 30.971 0.038 17842 8303 1 11 . 1 1 133 133 ASN N N 134 110.795 110.795 116.800 -6.005 17842 8304 1 11 . 1 1 133 133 ASN C C 134 173.897 173.897 173.855 0.042 17842 8305 1 11 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.549 0.029 17842 8306 1 11 . 1 1 133 133 ASN CB C 134 40.830 40.830 41.154 -0.324 17842 8307 1 11 . 1 1 133 133 ASN H H 134 7.761 7.761 8.450 -0.689 17842 8308 1 11 . 1 1 134 134 ALA N N 135 122.181 122.181 120.715 1.466 17842 8309 1 11 . 1 1 134 134 ALA C C 135 176.250 176.250 175.069 1.181 17842 8310 1 11 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.675 -0.518 17842 8311 1 11 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.702 0.431 17842 8312 1 11 . 1 1 134 134 ALA H H 135 7.562 7.562 7.909 -0.347 17842 8313 1 11 . 1 1 135 135 SER N N 136 114.617 114.617 112.938 1.679 17842 8314 1 11 . 1 1 135 135 SER C C 136 172.507 172.507 172.507 0.000 17842 8315 1 11 . 1 1 135 135 SER CA C 136 56.164 56.164 57.152 -0.988 17842 8316 1 11 . 1 1 135 135 SER CB C 136 66.255 66.255 66.768 -0.513 17842 8317 1 11 . 1 1 135 135 SER H H 136 8.717 8.717 8.536 0.181 17842 8318 1 11 . 1 1 136 136 ILE N N 137 114.495 114.495 121.585 -7.090 17842 8319 1 11 . 1 1 136 136 ILE C C 137 173.136 173.136 173.309 -0.173 17842 8320 1 11 . 1 1 136 136 ILE CA C 137 58.420 58.420 59.458 -1.038 17842 8321 1 11 . 1 1 136 136 ILE CB C 137 42.700 42.700 41.523 1.177 17842 8322 1 11 . 1 1 136 136 ILE H H 137 8.592 8.592 9.074 -0.482 17842 8323 1 11 . 1 1 137 137 GLU N N 138 122.016 122.016 127.405 -5.389 17842 8324 1 11 . 1 1 137 137 GLU C C 138 173.792 173.792 175.223 -1.431 17842 8325 1 11 . 1 1 137 137 GLU CA C 138 53.537 53.537 53.790 -0.253 17842 8326 1 11 . 1 1 137 137 GLU CB C 138 35.118 35.118 33.718 1.400 17842 8327 1 11 . 1 1 137 137 GLU H H 138 8.902 8.902 9.132 -0.230 17842 8328 1 11 . 1 1 138 138 GLY N N 139 107.847 107.847 105.366 2.481 17842 8329 1 11 . 1 1 138 138 GLY C C 139 171.817 171.817 172.702 -0.885 17842 8330 1 11 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.650 -1.580 17842 8331 1 11 . 1 1 138 138 GLY H H 139 8.485 8.485 7.937 0.548 17842 8332 1 11 . 1 1 139 139 GLY N N 140 108.290 108.290 108.426 -0.136 17842 8333 1 11 . 1 1 139 139 GLY C C 140 169.172 169.172 171.680 -2.508 17842 8334 1 11 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.560 0.154 17842 8335 1 11 . 1 1 139 139 GLY H H 140 7.841 7.841 8.544 -0.703 17842 8336 1 11 . 1 1 140 140 TYR N N 141 119.674 119.674 118.598 1.076 17842 8337 1 11 . 1 1 140 140 TYR C C 141 173.643 173.643 174.182 -0.539 17842 8338 1 11 . 1 1 140 140 TYR CA C 141 55.179 55.179 57.082 -1.903 17842 8339 1 11 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.603 -0.459 17842 8340 1 11 . 1 1 140 140 TYR H H 141 8.726 8.726 8.766 -0.040 17842 8341 1 11 . 1 1 141 141 ARG N N 142 125.021 125.021 121.889 3.132 17842 8342 1 11 . 1 1 141 141 ARG C C 142 173.533 173.533 173.899 -0.366 17842 8343 1 11 . 1 1 141 141 ARG CA C 142 53.813 53.813 54.797 -0.985 17842 8344 1 11 . 1 1 141 141 ARG CB C 142 33.239 33.239 34.464 -1.224 17842 8345 1 11 . 1 1 141 141 ARG H H 142 8.502 8.502 8.271 0.231 17842 8346 1 11 . 1 1 142 142 TYR N N 143 128.805 128.805 125.000 3.805 17842 8347 1 11 . 1 1 142 142 TYR C C 143 173.475 173.475 174.658 -1.183 17842 8348 1 11 . 1 1 142 142 TYR CA C 143 56.428 56.428 57.076 -0.648 17842 8349 1 11 . 1 1 142 142 TYR CB C 143 41.642 41.642 40.768 0.874 17842 8350 1 11 . 1 1 142 142 TYR H H 143 8.978 8.978 8.961 0.017 17842 8351 1 11 . 1 1 143 143 LEU N N 144 125.513 125.513 119.449 6.064 17842 8352 1 11 . 1 1 143 143 LEU C C 144 175.370 175.370 174.752 0.618 17842 8353 1 11 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.407 -1.514 17842 8354 1 11 . 1 1 143 143 LEU CB C 144 45.924 45.924 45.900 0.024 17842 8355 1 11 . 1 1 143 143 LEU H H 144 8.117 8.117 8.572 -0.455 17842 8356 1 11 . 1 1 144 144 ARG N N 145 122.193 122.193 119.506 2.687 17842 8357 1 11 . 1 1 144 144 ARG C C 145 175.452 175.452 175.063 0.389 17842 8358 1 11 . 1 1 144 144 ARG CA C 145 54.077 54.077 55.199 -1.121 17842 8359 1 11 . 1 1 144 144 ARG CB C 145 31.377 31.377 33.698 -2.321 17842 8360 1 11 . 1 1 144 144 ARG H H 145 8.810 8.810 8.122 0.688 17842 8361 1 11 . 1 1 145 145 THR C C 146 172.708 172.708 173.839 -1.131 17842 8362 1 11 . 1 1 145 145 THR CA C 146 59.117 59.117 60.194 -1.077 17842 8363 1 11 . 1 1 145 145 THR CB C 146 70.345 70.345 70.027 0.318 17842 8364 1 11 . 1 1 146 146 ASN N N 147 120.236 120.236 125.470 -5.234 17842 8365 1 11 . 1 1 146 146 ASN C C 147 175.341 175.341 174.143 1.198 17842 8366 1 11 . 1 1 146 146 ASN CA C 147 51.880 51.880 52.856 -0.976 17842 8367 1 11 . 1 1 146 146 ASN CB C 147 38.462 38.462 40.103 -1.641 17842 8368 1 11 . 1 1 146 146 ASN H H 147 8.259 8.259 8.690 -0.431 17842 8369 1 11 . 1 1 147 147 ALA N N 148 124.724 124.724 124.905 -0.181 17842 8370 1 11 . 1 1 147 147 ALA C C 148 176.378 176.378 176.426 -0.048 17842 8371 1 11 . 1 1 147 147 ALA CA C 148 52.179 52.179 52.061 0.118 17842 8372 1 11 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.204 -0.578 17842 8373 1 11 . 1 1 147 147 ALA H H 148 8.256 8.256 8.506 -0.250 17842 8374 1 11 . 1 1 148 148 SER N N 149 115.670 115.670 114.260 1.410 17842 8375 1 11 . 1 1 148 148 SER C C 149 174.123 174.123 172.710 1.413 17842 8376 1 11 . 1 1 148 148 SER CA C 149 57.281 57.281 57.947 -0.666 17842 8377 1 11 . 1 1 148 148 SER CB C 149 64.685 64.685 64.959 -0.274 17842 8378 1 11 . 1 1 148 148 SER H H 149 8.372 8.372 7.753 0.619 17842 8379 1 11 . 1 1 149 149 THR N N 150 115.292 115.292 117.098 -1.806 17842 8380 1 11 . 1 1 149 149 THR C C 150 173.858 173.858 172.770 1.088 17842 8381 1 11 . 1 1 149 149 THR CA C 150 61.189 61.189 62.365 -1.176 17842 8382 1 11 . 1 1 149 149 THR CB C 150 69.105 69.105 69.580 -0.475 17842 8383 1 11 . 1 1 149 149 THR H H 150 8.228 8.228 8.290 -0.062 17842 8384 1 11 . 1 1 150 150 GLU N N 151 123.244 123.244 126.488 -3.244 17842 8385 1 11 . 1 1 150 150 GLU C C 151 176.121 176.121 174.852 1.269 17842 8386 1 11 . 1 1 150 150 GLU CA C 151 56.002 56.002 55.615 0.387 17842 8387 1 11 . 1 1 150 150 GLU CB C 151 29.931 29.931 30.342 -0.411 17842 8388 1 11 . 1 1 150 150 GLU H H 151 8.186 8.186 8.209 -0.023 17842 8389 1 11 . 1 1 151 151 MET N N 152 121.600 121.600 119.954 1.646 17842 8390 1 11 . 1 1 151 151 MET C C 152 175.810 175.810 176.261 -0.451 17842 8391 1 11 . 1 1 151 151 MET CA C 152 55.254 55.254 56.443 -1.189 17842 8392 1 11 . 1 1 151 151 MET CB C 152 33.247 33.247 33.584 -0.337 17842 8393 1 11 . 1 1 151 151 MET H H 152 8.248 8.248 8.491 -0.243 17842 8394 1 11 . 1 1 152 152 THR N N 153 117.486 117.486 116.614 0.872 17842 8395 1 11 . 1 1 152 152 THR C C 153 172.907 172.907 172.636 0.271 17842 8396 1 11 . 1 1 152 152 THR CA C 153 59.365 59.365 60.046 -0.681 17842 8397 1 11 . 1 1 152 152 THR CB C 153 69.366 69.366 68.757 0.609 17842 8398 1 11 . 1 1 152 152 THR H H 153 8.113 8.113 7.587 0.526 17842 8399 1 11 . 1 1 155 155 GLY C C 156 174.620 174.620 173.277 1.343 17842 8400 1 11 . 1 1 155 155 GLY CA C 156 45.280 45.280 44.510 0.770 17842 8401 1 11 . 1 1 156 156 GLY N N 157 109.059 109.059 108.485 0.574 17842 8402 1 11 . 1 1 156 156 GLY C C 157 173.801 173.801 173.140 0.661 17842 8403 1 11 . 1 1 156 156 GLY CA C 157 44.929 44.929 44.810 0.118 17842 8404 1 11 . 1 1 156 156 GLY H H 157 8.175 8.175 7.917 0.258 17842 8405 1 11 . 1 1 157 157 ASN N N 158 118.630 118.630 117.935 0.695 17842 8406 1 11 . 1 1 157 157 ASN C C 158 175.025 175.025 176.281 -1.256 17842 8407 1 11 . 1 1 157 157 ASN CA C 158 52.791 52.791 53.695 -0.904 17842 8408 1 11 . 1 1 157 157 ASN CB C 158 38.532 38.532 38.982 -0.450 17842 8409 1 11 . 1 1 157 157 ASN H H 158 8.114 8.114 8.632 -0.518 17842 8410 1 11 . 1 1 158 158 LYS N N 159 121.755 121.755 119.853 1.902 17842 8411 1 11 . 1 1 158 158 LYS C C 159 176.361 176.361 176.356 0.005 17842 8412 1 11 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.424 0.048 17842 8413 1 11 . 1 1 158 158 LYS CB C 159 32.403 32.403 33.147 -0.744 17842 8414 1 11 . 1 1 158 158 LYS H H 159 8.169 8.169 7.963 0.206 17842 8415 1 11 . 1 1 159 159 LEU N N 160 123.084 123.084 114.339 8.745 17842 8416 1 11 . 1 1 159 159 LEU C C 160 177.408 177.408 177.375 0.033 17842 8417 1 11 . 1 1 159 159 LEU CA C 160 55.162 55.162 55.425 -0.263 17842 8418 1 11 . 1 1 159 159 LEU CB C 160 42.690 42.690 42.790 -0.100 17842 8419 1 11 . 1 1 159 159 LEU H H 160 8.173 8.173 7.900 0.273 17842 8420 1 11 . 1 1 160 160 GLY N N 161 109.180 109.180 108.700 0.480 17842 8421 1 11 . 1 1 160 160 GLY C C 161 173.574 173.574 173.939 -0.365 17842 8422 1 11 . 1 1 160 160 GLY CA C 161 44.877 44.877 45.139 -0.262 17842 8423 1 11 . 1 1 160 160 GLY H H 161 8.117 8.117 8.129 -0.012 17842 8424 1 11 . 1 1 161 161 SER N N 162 115.719 115.719 115.270 0.449 17842 8425 1 11 . 1 1 161 161 SER C C 162 173.715 173.715 174.652 -0.937 17842 8426 1 11 . 1 1 161 161 SER CA C 162 57.965 57.965 57.862 0.103 17842 8427 1 11 . 1 1 161 161 SER CB C 162 63.856 63.856 65.043 -1.187 17842 8428 1 11 . 1 1 161 161 SER H H 162 8.064 8.064 7.869 0.195 17842 8429 1 11 . 1 1 162 162 LEU N N 163 123.433 123.433 120.413 3.020 17842 8430 1 11 . 1 1 162 162 LEU C C 163 175.609 175.609 176.683 -1.074 17842 8431 1 11 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.391 -1.006 17842 8432 1 11 . 1 1 162 162 LEU CB C 163 43.046 43.046 43.075 -0.029 17842 8433 1 11 . 1 1 162 162 LEU H H 163 8.282 8.282 8.220 0.062 17842 8434 1 11 . 1 1 163 163 ASP N N 164 122.223 122.223 119.657 2.566 17842 8435 1 11 . 1 1 163 163 ASP C C 164 175.122 175.122 176.411 -1.289 17842 8436 1 11 . 1 1 163 163 ASP CA C 164 53.400 53.400 54.511 -1.111 17842 8437 1 11 . 1 1 163 163 ASP CB C 164 41.200 41.200 40.896 0.304 17842 8438 1 11 . 1 1 163 163 ASP H H 164 8.356 8.356 7.980 0.376 17842 8439 1 11 . 1 1 166 166 SER C C 167 172.472 172.472 173.618 -1.146 17842 8440 1 11 . 1 1 166 166 SER CA C 167 56.760 56.760 58.683 -1.923 17842 8441 1 11 . 1 1 167 167 SER N N 168 115.939 115.939 117.019 -1.080 17842 8442 1 11 . 1 1 167 167 SER C C 168 173.318 173.318 172.770 0.548 17842 8443 1 11 . 1 1 167 167 SER CA C 168 56.763 56.763 57.728 -0.965 17842 8444 1 11 . 1 1 167 167 SER CB C 168 65.286 65.286 66.079 -0.793 17842 8445 1 11 . 1 1 167 167 SER H H 168 8.678 8.678 8.678 0.000 17842 8446 1 11 . 1 1 168 168 SER C C 169 172.500 172.500 173.829 -1.329 17842 8447 1 11 . 1 1 168 168 SER CA C 169 56.569 56.569 57.499 -0.930 17842 8448 1 11 . 1 1 168 168 SER CB C 169 65.738 65.738 63.702 2.036 17842 8449 1 11 . 1 1 169 169 GLN N N 170 122.951 122.951 124.773 -1.822 17842 8450 1 11 . 1 1 169 169 GLN C C 170 174.697 174.697 174.479 0.218 17842 8451 1 11 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.293 -0.255 17842 8452 1 11 . 1 1 169 169 GLN CB C 170 32.383 32.383 32.855 -0.472 17842 8453 1 11 . 1 1 169 169 GLN H H 170 8.745 8.745 7.714 1.031 17842 8454 1 11 . 1 1 170 170 PHE N N 171 125.628 125.628 120.881 4.747 17842 8455 1 11 . 1 1 170 170 PHE C C 171 174.628 174.628 175.342 -0.714 17842 8456 1 11 . 1 1 170 170 PHE CA C 171 56.200 56.200 57.392 -1.192 17842 8457 1 11 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.077 -0.525 17842 8458 1 11 . 1 1 170 170 PHE H H 171 7.771 7.771 8.505 -0.734 17842 8459 1 11 . 1 1 171 171 TYR N N 172 121.558 121.558 120.245 1.313 17842 8460 1 11 . 1 1 171 171 TYR C C 172 171.727 171.727 174.057 -2.330 17842 8461 1 11 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.681 -1.635 17842 8462 1 11 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.786 -0.347 17842 8463 1 11 . 1 1 171 171 TYR H H 172 8.696 8.696 8.394 0.302 17842 8464 1 11 . 1 1 172 172 LEU N N 173 119.230 119.230 127.098 -7.868 17842 8465 1 11 . 1 1 172 172 LEU C C 173 176.352 176.352 174.572 1.780 17842 8466 1 11 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.889 -2.146 17842 8467 1 11 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.227 0.310 17842 8468 1 11 . 1 1 172 172 LEU H H 173 8.971 8.971 8.437 0.534 17842 8469 1 11 . 1 1 173 173 GLY N N 174 107.248 107.248 109.990 -2.742 17842 8470 1 11 . 1 1 173 173 GLY C C 174 170.680 170.680 171.888 -1.208 17842 8471 1 11 . 1 1 173 173 GLY CA C 174 44.920 44.920 45.724 -0.804 17842 8472 1 11 . 1 1 173 173 GLY H H 174 9.085 9.085 9.062 0.023 17842 8473 1 11 . 1 1 174 174 ALA N N 175 121.461 121.461 121.340 0.121 17842 8474 1 11 . 1 1 174 174 ALA C C 175 174.546 174.546 176.339 -1.793 17842 8475 1 11 . 1 1 174 174 ALA CA C 175 50.312 50.312 49.635 0.677 17842 8476 1 11 . 1 1 174 174 ALA CB C 175 21.643 21.643 21.977 -0.334 17842 8477 1 11 . 1 1 174 174 ALA H H 175 8.575 8.575 7.895 0.680 17842 8478 1 11 . 1 1 175 175 ASN N N 176 117.370 117.370 118.190 -0.820 17842 8479 1 11 . 1 1 175 175 ASN C C 176 173.370 173.370 173.042 0.328 17842 8480 1 11 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.534 -1.935 17842 8481 1 11 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.129 -0.172 17842 8482 1 11 . 1 1 175 175 ASN H H 176 8.762 8.762 8.658 0.104 17842 8483 1 11 . 1 1 176 176 TYR N N 177 122.724 122.724 126.790 -4.066 17842 8484 1 11 . 1 1 176 176 TYR C C 177 173.924 173.924 173.476 0.448 17842 8485 1 11 . 1 1 176 176 TYR CA C 177 56.438 56.438 57.676 -1.238 17842 8486 1 11 . 1 1 176 176 TYR CB C 177 42.401 42.401 41.324 1.077 17842 8487 1 11 . 1 1 176 176 TYR H H 177 9.570 9.570 8.752 0.818 17842 8488 1 11 . 1 1 177 177 LYS N N 178 127.067 127.067 125.837 1.230 17842 8489 1 11 . 1 1 177 177 LYS C C 178 174.336 174.336 175.638 -1.302 17842 8490 1 11 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.961 -1.718 17842 8491 1 11 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.670 0.281 17842 8492 1 11 . 1 1 177 177 LYS H H 178 8.284 8.284 8.300 -0.016 17842 8493 1 12 . 1 1 2 2 ASP N N 3 119.767 119.767 119.614 0.153 17842 8494 1 12 . 1 1 2 2 ASP C C 3 175.809 175.809 175.240 0.569 17842 8495 1 12 . 1 1 2 2 ASP CA C 3 53.303 53.303 53.153 0.150 17842 8496 1 12 . 1 1 2 2 ASP CB C 3 42.915 42.915 44.265 -1.350 17842 8497 1 12 . 1 1 2 2 ASP H H 3 8.443 8.443 8.885 -0.442 17842 8498 1 12 . 1 1 3 3 ASN N N 4 123.667 123.667 121.677 1.990 17842 8499 1 12 . 1 1 3 3 ASN C C 4 174.736 174.736 174.149 0.587 17842 8500 1 12 . 1 1 3 3 ASN CA C 4 52.911 52.911 53.463 -0.552 17842 8501 1 12 . 1 1 3 3 ASN CB C 4 39.160 39.160 39.585 -0.425 17842 8502 1 12 . 1 1 3 3 ASN H H 4 8.923 8.923 8.733 0.190 17842 8503 1 12 . 1 1 4 4 PHE N N 5 118.447 118.447 125.629 -7.182 17842 8504 1 12 . 1 1 4 4 PHE C C 5 172.331 172.331 173.558 -1.227 17842 8505 1 12 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.869 -1.817 17842 8506 1 12 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.621 -0.758 17842 8507 1 12 . 1 1 4 4 PHE H H 5 8.910 8.910 8.232 0.678 17842 8508 1 12 . 1 1 5 5 VAL N N 6 116.195 116.195 121.707 -5.512 17842 8509 1 12 . 1 1 5 5 VAL C C 6 174.144 174.144 174.622 -0.478 17842 8510 1 12 . 1 1 5 5 VAL CA C 6 58.529 58.529 61.635 -3.106 17842 8511 1 12 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.661 0.157 17842 8512 1 12 . 1 1 5 5 VAL H H 6 8.903 8.903 8.692 0.211 17842 8513 1 12 . 1 1 6 6 GLY N N 7 110.150 110.150 113.681 -3.531 17842 8514 1 12 . 1 1 6 6 GLY C C 7 170.825 170.825 171.791 -0.966 17842 8515 1 12 . 1 1 6 6 GLY CA C 7 46.218 46.218 44.806 1.413 17842 8516 1 12 . 1 1 6 6 GLY H H 7 8.670 8.670 8.943 -0.273 17842 8517 1 12 . 1 1 7 7 LEU N N 8 120.059 120.059 119.884 0.175 17842 8518 1 12 . 1 1 7 7 LEU C C 8 175.596 175.596 175.969 -0.373 17842 8519 1 12 . 1 1 7 7 LEU CA C 8 52.933 52.933 53.716 -0.783 17842 8520 1 12 . 1 1 7 7 LEU CB C 8 47.663 47.663 47.033 0.630 17842 8521 1 12 . 1 1 7 7 LEU H H 8 8.562 8.562 7.973 0.589 17842 8522 1 12 . 1 1 8 8 THR N N 9 112.180 112.180 113.649 -1.469 17842 8523 1 12 . 1 1 8 8 THR C C 9 172.942 172.942 173.294 -0.352 17842 8524 1 12 . 1 1 8 8 THR CA C 9 59.539 59.539 60.889 -1.350 17842 8525 1 12 . 1 1 8 8 THR CB C 9 70.735 70.735 70.692 0.043 17842 8526 1 12 . 1 1 8 8 THR H H 9 9.114 9.114 8.235 0.879 17842 8527 1 12 . 1 1 9 9 TRP N N 10 121.476 121.476 125.047 -3.571 17842 8528 1 12 . 1 1 9 9 TRP C C 10 174.622 174.622 174.376 0.246 17842 8529 1 12 . 1 1 9 9 TRP CA C 10 56.418 56.418 56.554 -0.136 17842 8530 1 12 . 1 1 9 9 TRP CB C 10 31.877 31.877 33.331 -1.454 17842 8531 1 12 . 1 1 9 9 TRP H H 10 9.022 9.022 8.040 0.982 17842 8532 1 12 . 1 1 10 10 GLY N N 11 112.750 112.750 113.917 -1.167 17842 8533 1 12 . 1 1 10 10 GLY C C 11 171.655 171.655 172.244 -0.589 17842 8534 1 12 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.986 0.954 17842 8535 1 12 . 1 1 10 10 GLY H H 11 7.798 7.798 8.350 -0.552 17842 8536 1 12 . 1 1 11 11 GLU N N 12 117.292 117.292 123.476 -6.184 17842 8537 1 12 . 1 1 11 11 GLU C C 12 175.810 175.810 175.702 0.108 17842 8538 1 12 . 1 1 11 11 GLU CA C 12 53.743 53.743 55.516 -1.773 17842 8539 1 12 . 1 1 11 11 GLU CB C 12 31.361 31.361 31.181 0.180 17842 8540 1 12 . 1 1 11 11 GLU H H 12 8.223 8.223 8.790 -0.567 17842 8541 1 12 . 1 1 12 12 THR N N 13 123.477 123.477 119.208 4.269 17842 8542 1 12 . 1 1 12 12 THR C C 13 174.233 174.233 173.407 0.826 17842 8543 1 12 . 1 1 12 12 THR CA C 13 61.872 61.872 61.423 0.449 17842 8544 1 12 . 1 1 12 12 THR CB C 13 69.374 69.374 69.916 -0.542 17842 8545 1 12 . 1 1 12 12 THR H H 13 8.722 8.722 8.319 0.403 17842 8546 1 12 . 1 1 13 13 SER N N 14 122.220 122.220 122.031 0.189 17842 8547 1 12 . 1 1 13 13 SER C C 14 173.577 173.577 173.426 0.151 17842 8548 1 12 . 1 1 13 13 SER CA C 14 56.934 56.934 58.508 -1.574 17842 8549 1 12 . 1 1 13 13 SER CB C 14 64.249 64.249 63.783 0.466 17842 8550 1 12 . 1 1 13 13 SER H H 14 9.225 9.225 8.673 0.552 17842 8551 1 12 . 1 1 14 14 ASN N N 15 125.159 125.159 122.016 3.143 17842 8552 1 12 . 1 1 14 14 ASN C C 15 174.673 174.673 174.948 -0.275 17842 8553 1 12 . 1 1 14 14 ASN CA C 15 51.888 51.888 53.840 -1.952 17842 8554 1 12 . 1 1 14 14 ASN CB C 15 39.777 39.777 39.503 0.274 17842 8555 1 12 . 1 1 14 14 ASN H H 15 8.745 8.745 8.629 0.116 17842 8556 1 12 . 1 1 15 15 ASN N N 16 120.330 120.330 120.180 0.150 17842 8557 1 12 . 1 1 15 15 ASN C C 16 175.886 175.886 174.876 1.010 17842 8558 1 12 . 1 1 15 15 ASN CA C 16 52.780 52.780 54.006 -1.226 17842 8559 1 12 . 1 1 15 15 ASN CB C 16 38.595 38.595 39.053 -0.458 17842 8560 1 12 . 1 1 15 15 ASN H H 16 8.494 8.494 8.335 0.159 17842 8561 1 12 . 1 1 20 20 LYS C C 21 176.705 176.705 176.939 -0.234 17842 8562 1 12 . 1 1 20 20 LYS CA C 21 56.683 56.683 57.054 -0.371 17842 8563 1 12 . 1 1 21 21 SER N N 22 115.966 115.966 117.948 -1.982 17842 8564 1 12 . 1 1 21 21 SER C C 22 174.564 174.564 173.796 0.768 17842 8565 1 12 . 1 1 21 21 SER CA C 22 58.149 58.149 57.611 0.538 17842 8566 1 12 . 1 1 21 21 SER CB C 22 63.308 63.308 61.817 1.491 17842 8567 1 12 . 1 1 21 21 SER H H 22 8.053 8.053 8.236 -0.183 17842 8568 1 12 . 1 1 22 22 LEU N N 23 123.751 123.751 120.738 3.013 17842 8569 1 12 . 1 1 22 22 LEU C C 23 176.968 176.968 175.917 1.051 17842 8570 1 12 . 1 1 22 22 LEU CA C 23 55.269 55.269 55.265 0.004 17842 8571 1 12 . 1 1 22 22 LEU CB C 23 42.334 42.334 41.859 0.475 17842 8572 1 12 . 1 1 22 22 LEU H H 23 8.006 8.006 7.550 0.456 17842 8573 1 12 . 1 1 23 23 ASN N N 24 118.937 118.937 118.988 -0.051 17842 8574 1 12 . 1 1 23 23 ASN C C 24 175.119 175.119 175.598 -0.479 17842 8575 1 12 . 1 1 23 23 ASN CA C 24 52.993 52.993 52.783 0.210 17842 8576 1 12 . 1 1 23 23 ASN CB C 24 38.255 38.255 39.096 -0.841 17842 8577 1 12 . 1 1 23 23 ASN H H 24 8.136 8.136 8.267 -0.131 17842 8578 1 12 . 1 1 24 24 ARG N N 25 121.500 121.500 120.337 1.163 17842 8579 1 12 . 1 1 24 24 ARG C C 25 175.849 175.849 174.250 1.599 17842 8580 1 12 . 1 1 24 24 ARG CA C 25 56.368 56.368 56.413 -0.045 17842 8581 1 12 . 1 1 24 24 ARG CB C 25 30.366 30.366 31.464 -1.098 17842 8582 1 12 . 1 1 24 24 ARG H H 25 8.097 8.097 8.367 -0.270 17842 8583 1 12 . 1 1 25 25 ASN N N 26 119.196 119.196 122.326 -3.130 17842 8584 1 12 . 1 1 25 25 ASN C C 26 175.122 175.122 174.737 0.385 17842 8585 1 12 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.586 -0.525 17842 8586 1 12 . 1 1 25 25 ASN CB C 26 38.291 38.291 39.271 -0.980 17842 8587 1 12 . 1 1 25 25 ASN H H 26 8.278 8.278 8.434 -0.156 17842 8588 1 12 . 1 1 26 26 LEU N N 27 122.352 122.352 122.962 -0.610 17842 8589 1 12 . 1 1 26 26 LEU C C 27 176.903 176.903 176.433 0.470 17842 8590 1 12 . 1 1 26 26 LEU CA C 27 55.326 55.326 54.772 0.554 17842 8591 1 12 . 1 1 26 26 LEU CB C 27 42.186 42.186 40.883 1.303 17842 8592 1 12 . 1 1 26 26 LEU H H 27 7.992 7.992 8.242 -0.250 17842 8593 1 12 . 1 1 27 27 ASN N N 28 118.444 118.444 121.950 -3.506 17842 8594 1 12 . 1 1 27 27 ASN C C 28 174.754 174.754 174.789 -0.035 17842 8595 1 12 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.745 -0.785 17842 8596 1 12 . 1 1 27 27 ASN CB C 28 38.419 38.419 40.313 -1.894 17842 8597 1 12 . 1 1 27 27 ASN H H 28 8.216 8.216 8.653 -0.437 17842 8598 1 12 . 1 1 28 28 SER N N 29 116.471 116.471 113.520 2.951 17842 8599 1 12 . 1 1 28 28 SER C C 29 172.778 172.778 172.738 0.040 17842 8600 1 12 . 1 1 28 28 SER CA C 29 55.982 55.982 57.254 -1.272 17842 8601 1 12 . 1 1 28 28 SER CB C 29 63.179 63.179 64.152 -0.973 17842 8602 1 12 . 1 1 28 28 SER H H 29 7.833 7.833 7.866 -0.033 17842 8603 1 12 . 1 1 29 29 PRO C C 30 176.535 176.535 176.900 -0.365 17842 8604 1 12 . 1 1 29 29 PRO CA C 30 63.458 63.458 63.685 -0.227 17842 8605 1 12 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.161 -0.489 17842 8606 1 12 . 1 1 30 30 ASN N N 31 118.189 118.189 117.830 0.359 17842 8607 1 12 . 1 1 30 30 ASN C C 31 175.075 175.075 174.225 0.850 17842 8608 1 12 . 1 1 30 30 ASN CA C 31 53.051 53.051 52.865 0.185 17842 8609 1 12 . 1 1 30 30 ASN CB C 31 38.277 38.277 39.293 -1.016 17842 8610 1 12 . 1 1 30 30 ASN H H 31 8.231 8.231 8.097 0.134 17842 8611 1 12 . 1 1 31 31 LEU N N 32 122.838 122.838 119.285 3.553 17842 8612 1 12 . 1 1 31 31 LEU C C 32 176.800 176.800 175.860 0.940 17842 8613 1 12 . 1 1 31 31 LEU CA C 32 55.107 55.107 54.863 0.244 17842 8614 1 12 . 1 1 31 31 LEU CB C 32 42.291 42.291 42.032 0.259 17842 8615 1 12 . 1 1 31 31 LEU H H 32 8.011 8.011 8.536 -0.525 17842 8616 1 12 . 1 1 32 32 ASP N N 33 120.740 120.740 124.064 -3.324 17842 8617 1 12 . 1 1 32 32 ASP C C 33 175.863 175.863 176.368 -0.505 17842 8618 1 12 . 1 1 32 32 ASP CA C 33 54.331 54.331 55.084 -0.753 17842 8619 1 12 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.776 -1.018 17842 8620 1 12 . 1 1 32 32 ASP H H 33 8.151 8.151 8.948 -0.797 17842 8621 1 12 . 1 1 33 33 LYS N N 34 120.746 120.746 121.413 -0.667 17842 8622 1 12 . 1 1 33 33 LYS C C 34 175.912 175.912 176.160 -0.248 17842 8623 1 12 . 1 1 33 33 LYS CA C 34 55.865 55.865 55.735 0.130 17842 8624 1 12 . 1 1 33 33 LYS CB C 34 32.738 32.738 31.755 0.983 17842 8625 1 12 . 1 1 33 33 LYS H H 34 7.933 7.933 8.320 -0.387 17842 8626 1 12 . 1 1 34 34 VAL N N 35 121.590 121.590 120.763 0.827 17842 8627 1 12 . 1 1 34 34 VAL C C 35 175.691 175.691 176.360 -0.669 17842 8628 1 12 . 1 1 34 34 VAL CA C 35 62.186 62.186 63.160 -0.974 17842 8629 1 12 . 1 1 34 34 VAL CB C 35 32.591 32.591 32.872 -0.281 17842 8630 1 12 . 1 1 34 34 VAL H H 35 7.995 7.995 8.393 -0.398 17842 8631 1 12 . 1 1 35 35 ILE N N 36 124.025 124.025 115.333 8.692 17842 8632 1 12 . 1 1 35 35 ILE C C 36 175.266 175.266 175.260 0.006 17842 8633 1 12 . 1 1 35 35 ILE CA C 36 60.495 60.495 60.484 0.011 17842 8634 1 12 . 1 1 35 35 ILE CB C 36 38.489 38.489 37.684 0.805 17842 8635 1 12 . 1 1 35 35 ILE H H 36 8.034 8.034 7.615 0.419 17842 8636 1 12 . 1 1 36 36 ASP N N 37 125.860 125.860 128.148 -2.288 17842 8637 1 12 . 1 1 36 36 ASP C C 37 175.014 175.014 176.669 -1.655 17842 8638 1 12 . 1 1 36 36 ASP CA C 37 53.719 53.719 56.528 -2.809 17842 8639 1 12 . 1 1 36 36 ASP CB C 37 41.755 41.755 41.172 0.583 17842 8640 1 12 . 1 1 36 36 ASP H H 37 8.190 8.190 8.953 -0.763 17842 8641 1 12 . 1 1 37 37 ASN N N 38 120.770 120.770 115.179 5.591 17842 8642 1 12 . 1 1 37 37 ASN C C 38 174.821 174.821 173.362 1.459 17842 8643 1 12 . 1 1 37 37 ASN CA C 38 53.157 53.157 52.998 0.159 17842 8644 1 12 . 1 1 37 37 ASN CB C 38 38.663 38.663 39.441 -0.778 17842 8645 1 12 . 1 1 37 37 ASN H H 38 8.334 8.334 8.452 -0.118 17842 8646 1 12 . 1 1 38 38 THR N N 39 115.976 115.976 113.643 2.333 17842 8647 1 12 . 1 1 38 38 THR C C 39 175.226 175.226 173.726 1.500 17842 8648 1 12 . 1 1 38 38 THR CA C 39 62.215 62.215 60.639 1.576 17842 8649 1 12 . 1 1 38 38 THR CB C 39 69.618 69.618 71.905 -2.287 17842 8650 1 12 . 1 1 38 38 THR H H 39 8.508 8.508 7.654 0.854 17842 8651 1 12 . 1 1 39 39 GLY N N 40 115.818 115.818 109.324 6.494 17842 8652 1 12 . 1 1 39 39 GLY C C 40 172.862 172.862 172.782 0.080 17842 8653 1 12 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.394 0.774 17842 8654 1 12 . 1 1 39 39 GLY H H 40 8.819 8.819 8.143 0.676 17842 8655 1 12 . 1 1 40 40 THR N N 41 119.787 119.787 113.808 5.979 17842 8656 1 12 . 1 1 40 40 THR C C 41 172.914 172.914 173.767 -0.853 17842 8657 1 12 . 1 1 40 40 THR CA C 41 61.321 61.321 60.262 1.059 17842 8658 1 12 . 1 1 40 40 THR CB C 41 71.499 71.499 69.902 1.597 17842 8659 1 12 . 1 1 40 40 THR H H 41 8.117 8.117 7.967 0.150 17842 8660 1 12 . 1 1 41 41 TRP N N 42 128.090 128.090 126.624 1.466 17842 8661 1 12 . 1 1 41 41 TRP C C 42 174.627 174.627 174.416 0.211 17842 8662 1 12 . 1 1 41 41 TRP CA C 42 55.122 55.122 53.935 1.187 17842 8663 1 12 . 1 1 41 41 TRP CB C 42 31.905 31.905 30.904 1.001 17842 8664 1 12 . 1 1 41 41 TRP H H 42 8.178 8.178 8.300 -0.122 17842 8665 1 12 . 1 1 42 42 GLY N N 43 109.883 109.883 110.017 -0.134 17842 8666 1 12 . 1 1 42 42 GLY C C 43 172.317 172.317 172.440 -0.123 17842 8667 1 12 . 1 1 42 42 GLY CA C 43 44.176 44.176 45.088 -0.912 17842 8668 1 12 . 1 1 42 42 GLY H H 43 8.892 8.892 7.975 0.917 17842 8669 1 12 . 1 1 43 43 ILE N N 44 118.005 118.005 115.037 2.968 17842 8670 1 12 . 1 1 43 43 ILE C C 44 173.071 173.071 174.007 -0.936 17842 8671 1 12 . 1 1 43 43 ILE CA C 44 58.606 58.606 59.403 -0.797 17842 8672 1 12 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.597 0.533 17842 8673 1 12 . 1 1 43 43 ILE H H 44 8.879 8.879 7.843 1.036 17842 8674 1 12 . 1 1 44 44 ARG N N 45 120.855 120.855 121.203 -0.348 17842 8675 1 12 . 1 1 44 44 ARG C C 45 174.942 174.942 174.692 0.250 17842 8676 1 12 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.918 -2.029 17842 8677 1 12 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.561 -0.609 17842 8678 1 12 . 1 1 44 44 ARG H H 45 8.708 8.708 8.946 -0.238 17842 8679 1 12 . 1 1 45 45 ALA N N 46 119.127 119.127 128.214 -9.087 17842 8680 1 12 . 1 1 45 45 ALA C C 46 175.693 175.693 175.486 0.207 17842 8681 1 12 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.278 -1.658 17842 8682 1 12 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.968 -0.186 17842 8683 1 12 . 1 1 45 45 ALA H H 46 8.419 8.419 9.003 -0.584 17842 8684 1 12 . 1 1 46 46 GLY N N 47 107.350 107.350 109.910 -2.560 17842 8685 1 12 . 1 1 46 46 GLY C C 47 171.353 171.353 172.419 -1.066 17842 8686 1 12 . 1 1 46 46 GLY CA C 47 45.630 45.630 45.924 -0.294 17842 8687 1 12 . 1 1 46 46 GLY H H 47 7.819 7.819 9.189 -1.370 17842 8688 1 12 . 1 1 47 47 GLN N N 48 118.061 118.061 119.640 -1.579 17842 8689 1 12 . 1 1 47 47 GLN C C 48 173.671 173.671 174.020 -0.349 17842 8690 1 12 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.981 -0.616 17842 8691 1 12 . 1 1 47 47 GLN CB C 48 32.912 32.912 33.319 -0.408 17842 8692 1 12 . 1 1 47 47 GLN H H 48 8.483 8.483 8.510 -0.027 17842 8693 1 12 . 1 1 48 48 GLN N N 49 122.691 122.691 125.856 -3.165 17842 8694 1 12 . 1 1 48 48 GLN C C 49 173.291 173.291 174.542 -1.251 17842 8695 1 12 . 1 1 48 48 GLN CA C 49 54.593 54.593 55.107 -0.514 17842 8696 1 12 . 1 1 48 48 GLN CB C 49 30.750 30.750 30.274 0.476 17842 8697 1 12 . 1 1 48 48 GLN H H 49 9.319 9.319 9.281 0.038 17842 8698 1 12 . 1 1 49 49 PHE N N 50 126.379 126.379 126.001 0.378 17842 8699 1 12 . 1 1 49 49 PHE C C 50 175.918 175.918 175.933 -0.015 17842 8700 1 12 . 1 1 49 49 PHE CA C 50 55.013 55.013 54.963 0.050 17842 8701 1 12 . 1 1 49 49 PHE CB C 50 39.974 39.974 40.236 -0.262 17842 8702 1 12 . 1 1 49 49 PHE H H 50 8.781 8.781 8.654 0.127 17842 8703 1 12 . 1 1 50 50 GLU N N 51 121.087 121.087 119.510 1.577 17842 8704 1 12 . 1 1 50 50 GLU C C 51 178.452 178.452 177.006 1.446 17842 8705 1 12 . 1 1 50 50 GLU CA C 51 60.435 60.435 58.816 1.619 17842 8706 1 12 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.567 -0.881 17842 8707 1 12 . 1 1 50 50 GLU H H 51 8.975 8.975 9.055 -0.080 17842 8708 1 12 . 1 1 51 51 GLN N N 52 111.198 111.198 117.465 -6.267 17842 8709 1 12 . 1 1 51 51 GLN C C 52 176.031 176.031 174.728 1.303 17842 8710 1 12 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.267 0.569 17842 8711 1 12 . 1 1 51 51 GLN CB C 52 28.617 28.617 29.687 -1.070 17842 8712 1 12 . 1 1 51 51 GLN H H 52 7.955 7.955 8.326 -0.371 17842 8713 1 12 . 1 1 52 52 GLY N N 53 110.800 110.800 107.237 3.563 17842 8714 1 12 . 1 1 52 52 GLY C C 53 169.076 169.076 170.939 -1.863 17842 8715 1 12 . 1 1 52 52 GLY CA C 53 45.303 45.303 45.083 0.220 17842 8716 1 12 . 1 1 52 52 GLY H H 53 6.696 6.696 7.446 -0.750 17842 8717 1 12 . 1 1 53 53 ARG N N 54 111.857 111.857 120.350 -8.493 17842 8718 1 12 . 1 1 53 53 ARG C C 54 172.397 172.397 174.139 -1.742 17842 8719 1 12 . 1 1 53 53 ARG CA C 54 54.227 54.227 54.336 -0.109 17842 8720 1 12 . 1 1 53 53 ARG CB C 54 31.755 31.755 33.808 -2.053 17842 8721 1 12 . 1 1 53 53 ARG H H 54 8.216 8.216 8.316 -0.100 17842 8722 1 12 . 1 1 54 54 TYR N N 55 116.379 116.379 128.411 -12.032 17842 8723 1 12 . 1 1 54 54 TYR C C 55 175.461 175.461 174.109 1.352 17842 8724 1 12 . 1 1 54 54 TYR CA C 55 55.296 55.296 56.699 -1.403 17842 8725 1 12 . 1 1 54 54 TYR CB C 55 41.539 41.539 40.610 0.929 17842 8726 1 12 . 1 1 54 54 TYR H H 55 8.477 8.477 9.347 -0.870 17842 8727 1 12 . 1 1 55 55 TYR N N 56 114.651 114.651 129.225 -14.574 17842 8728 1 12 . 1 1 55 55 TYR C C 56 173.431 173.431 173.511 -0.080 17842 8729 1 12 . 1 1 55 55 TYR CA C 56 55.886 55.886 56.566 -0.680 17842 8730 1 12 . 1 1 55 55 TYR CB C 56 37.595 37.595 40.587 -2.992 17842 8731 1 12 . 1 1 55 55 TYR H H 56 8.221 8.221 8.714 -0.493 17842 8732 1 12 . 1 1 56 56 ALA N N 57 125.460 125.460 129.920 -4.460 17842 8733 1 12 . 1 1 56 56 ALA C C 57 175.737 175.737 176.317 -0.580 17842 8734 1 12 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.316 -1.168 17842 8735 1 12 . 1 1 56 56 ALA CB C 57 20.777 20.777 20.934 -0.157 17842 8736 1 12 . 1 1 56 56 ALA H H 57 9.034 9.034 8.410 0.624 17842 8737 1 12 . 1 1 57 57 THR N N 58 116.923 116.923 120.481 -3.558 17842 8738 1 12 . 1 1 57 57 THR C C 58 173.462 173.462 173.243 0.219 17842 8739 1 12 . 1 1 57 57 THR CA C 58 61.458 61.458 60.438 1.020 17842 8740 1 12 . 1 1 57 57 THR CB C 58 71.683 71.683 70.921 0.762 17842 8741 1 12 . 1 1 57 57 THR H H 58 8.907 8.907 8.660 0.247 17842 8742 1 12 . 1 1 58 58 TYR N N 59 126.784 126.784 129.515 -2.731 17842 8743 1 12 . 1 1 58 58 TYR C C 59 173.954 173.954 174.212 -0.258 17842 8744 1 12 . 1 1 58 58 TYR CA C 59 55.682 55.682 57.330 -1.648 17842 8745 1 12 . 1 1 58 58 TYR CB C 59 41.320 41.320 39.479 1.841 17842 8746 1 12 . 1 1 58 58 TYR H H 59 8.974 8.974 8.391 0.583 17842 8747 1 12 . 1 1 59 59 GLU N N 60 124.211 124.211 125.510 -1.299 17842 8748 1 12 . 1 1 59 59 GLU C C 60 173.989 173.989 175.055 -1.066 17842 8749 1 12 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.522 -1.598 17842 8750 1 12 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.405 0.337 17842 8751 1 12 . 1 1 59 59 GLU H H 60 8.049 8.049 9.229 -1.180 17842 8752 1 12 . 1 1 60 60 ASN N N 61 118.358 118.358 117.952 0.406 17842 8753 1 12 . 1 1 60 60 ASN C C 61 173.609 173.609 173.903 -0.294 17842 8754 1 12 . 1 1 60 60 ASN CA C 61 52.281 52.281 51.962 0.319 17842 8755 1 12 . 1 1 60 60 ASN H H 61 8.155 8.155 8.098 0.057 17842 8756 1 12 . 1 1 61 61 ILE C C 62 174.902 174.902 176.406 -1.504 17842 8757 1 12 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.990 -0.010 17842 8758 1 12 . 1 1 61 61 ILE CB C 62 40.772 40.772 37.887 2.885 17842 8759 1 12 . 1 1 62 62 SER N N 63 121.368 121.368 121.880 -0.512 17842 8760 1 12 . 1 1 62 62 SER C C 63 173.027 173.027 174.231 -1.204 17842 8761 1 12 . 1 1 62 62 SER CA C 63 57.295 57.295 59.801 -2.506 17842 8762 1 12 . 1 1 62 62 SER CB C 63 64.306 64.306 63.934 0.372 17842 8763 1 12 . 1 1 62 62 SER H H 63 8.339 8.339 8.754 -0.415 17842 8764 1 12 . 1 1 63 63 ASP N N 64 124.300 124.300 120.902 3.398 17842 8765 1 12 . 1 1 63 63 ASP C C 64 176.570 176.570 175.764 0.806 17842 8766 1 12 . 1 1 63 63 ASP CA C 64 53.291 53.291 53.997 -0.706 17842 8767 1 12 . 1 1 63 63 ASP CB C 64 42.484 42.484 39.938 2.546 17842 8768 1 12 . 1 1 63 63 ASP H H 64 8.596 8.596 8.199 0.397 17842 8769 1 12 . 1 1 64 64 THR N N 65 116.756 116.756 117.171 -0.415 17842 8770 1 12 . 1 1 64 64 THR C C 65 175.975 175.975 175.200 0.775 17842 8771 1 12 . 1 1 64 64 THR CA C 65 61.608 61.608 62.116 -0.508 17842 8772 1 12 . 1 1 64 64 THR CB C 65 68.856 68.856 69.775 -0.919 17842 8773 1 12 . 1 1 64 64 THR H H 65 8.581 8.581 8.078 0.503 17842 8774 1 12 . 1 1 65 65 SER N N 66 119.276 119.276 120.718 -1.442 17842 8775 1 12 . 1 1 65 65 SER CA C 66 59.728 59.728 59.924 -0.196 17842 8776 1 12 . 1 1 65 65 SER CB C 66 63.514 63.514 63.448 0.066 17842 8777 1 12 . 1 1 65 65 SER H H 66 8.492 8.492 8.773 -0.281 17842 8778 1 12 . 1 1 66 66 SER C C 67 175.122 175.122 174.168 0.954 17842 8779 1 12 . 1 1 66 66 SER CA C 67 58.554 58.554 58.659 -0.105 17842 8780 1 12 . 1 1 67 67 GLY N N 68 110.266 110.266 110.353 -0.087 17842 8781 1 12 . 1 1 67 67 GLY C C 68 173.832 173.832 173.566 0.266 17842 8782 1 12 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.854 0.353 17842 8783 1 12 . 1 1 67 67 GLY H H 68 8.184 8.184 8.250 -0.066 17842 8784 1 12 . 1 1 68 68 ASN N N 69 118.584 118.584 119.686 -1.102 17842 8785 1 12 . 1 1 68 68 ASN C C 69 174.239 174.239 173.840 0.399 17842 8786 1 12 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.990 -0.260 17842 8787 1 12 . 1 1 68 68 ASN CB C 69 38.938 38.938 41.691 -2.753 17842 8788 1 12 . 1 1 68 68 ASN H H 69 7.972 7.972 8.335 -0.363 17842 8789 1 12 . 1 1 72 72 GLN C C 73 173.610 173.610 175.045 -1.435 17842 8790 1 12 . 1 1 72 72 GLN CA C 73 53.449 53.449 54.742 -1.293 17842 8791 1 12 . 1 1 73 73 GLN N N 74 123.659 123.659 120.574 3.085 17842 8792 1 12 . 1 1 73 73 GLN C C 74 173.276 173.276 173.243 0.033 17842 8793 1 12 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.885 -1.341 17842 8794 1 12 . 1 1 73 73 GLN CB C 74 34.344 34.344 32.235 2.109 17842 8795 1 12 . 1 1 73 73 GLN H H 74 8.697 8.697 8.350 0.347 17842 8796 1 12 . 1 1 74 74 ASN N N 75 118.720 118.720 119.822 -1.102 17842 8797 1 12 . 1 1 74 74 ASN C C 75 173.733 173.733 173.899 -0.166 17842 8798 1 12 . 1 1 74 74 ASN CA C 75 50.269 50.269 53.045 -2.776 17842 8799 1 12 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.687 -1.617 17842 8800 1 12 . 1 1 74 74 ASN H H 75 8.295 8.295 8.595 -0.300 17842 8801 1 12 . 1 1 75 75 LEU N N 76 124.353 124.353 124.970 -0.617 17842 8802 1 12 . 1 1 75 75 LEU C C 76 174.267 174.267 174.898 -0.631 17842 8803 1 12 . 1 1 75 75 LEU CA C 76 53.916 53.916 54.436 -0.520 17842 8804 1 12 . 1 1 75 75 LEU CB C 76 44.633 44.633 43.567 1.066 17842 8805 1 12 . 1 1 75 75 LEU H H 76 8.847 8.847 8.180 0.667 17842 8806 1 12 . 1 1 76 76 LEU N N 77 124.437 124.437 123.147 1.290 17842 8807 1 12 . 1 1 76 76 LEU C C 77 175.188 175.188 174.895 0.293 17842 8808 1 12 . 1 1 76 76 LEU CA C 77 52.934 52.934 54.568 -1.634 17842 8809 1 12 . 1 1 76 76 LEU CB C 77 45.115 45.115 44.324 0.791 17842 8810 1 12 . 1 1 76 76 LEU H H 77 9.222 9.222 7.833 1.389 17842 8811 1 12 . 1 1 77 77 GLY N N 78 107.288 107.288 111.766 -4.478 17842 8812 1 12 . 1 1 77 77 GLY C C 78 171.733 171.733 172.561 -0.828 17842 8813 1 12 . 1 1 77 77 GLY CA C 78 44.160 44.160 43.852 0.308 17842 8814 1 12 . 1 1 77 77 GLY H H 78 9.132 9.132 8.442 0.690 17842 8815 1 12 . 1 1 78 78 SER N N 79 117.437 117.437 120.207 -2.770 17842 8816 1 12 . 1 1 78 78 SER C C 79 171.279 171.279 172.362 -1.083 17842 8817 1 12 . 1 1 78 78 SER CA C 79 57.272 57.272 56.359 0.913 17842 8818 1 12 . 1 1 78 78 SER CB C 79 65.596 65.596 66.387 -0.791 17842 8819 1 12 . 1 1 78 78 SER H H 79 8.210 8.210 7.850 0.360 17842 8820 1 12 . 1 1 79 79 TYR N N 80 122.901 122.901 120.222 2.679 17842 8821 1 12 . 1 1 79 79 TYR C C 80 173.757 173.757 175.071 -1.314 17842 8822 1 12 . 1 1 79 79 TYR CA C 80 56.243 56.243 56.156 0.087 17842 8823 1 12 . 1 1 79 79 TYR CB C 80 42.570 42.570 39.766 2.804 17842 8824 1 12 . 1 1 79 79 TYR H H 80 8.092 8.092 8.875 -0.783 17842 8825 1 12 . 1 1 80 80 ASP N N 81 122.808 122.808 123.926 -1.118 17842 8826 1 12 . 1 1 80 80 ASP C C 81 173.607 173.607 174.638 -1.031 17842 8827 1 12 . 1 1 80 80 ASP CA C 81 52.665 52.665 53.012 -0.347 17842 8828 1 12 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.137 0.650 17842 8829 1 12 . 1 1 80 80 ASP H H 81 8.268 8.268 8.965 -0.697 17842 8830 1 12 . 1 1 81 81 ALA N N 82 121.201 121.201 123.522 -2.321 17842 8831 1 12 . 1 1 81 81 ALA C C 82 177.094 177.094 176.341 0.753 17842 8832 1 12 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.748 -1.003 17842 8833 1 12 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.089 1.422 17842 8834 1 12 . 1 1 81 81 ALA H H 82 8.931 8.931 8.786 0.145 17842 8835 1 12 . 1 1 82 82 PHE N N 83 116.305 116.305 122.182 -5.877 17842 8836 1 12 . 1 1 82 82 PHE C C 83 176.299 176.299 174.191 2.108 17842 8837 1 12 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.942 -3.278 17842 8838 1 12 . 1 1 82 82 PHE CB C 83 42.121 42.121 40.985 1.136 17842 8839 1 12 . 1 1 82 82 PHE H H 83 7.404 7.404 8.201 -0.797 17842 8840 1 12 . 1 1 83 83 LEU N N 84 122.208 122.208 120.568 1.640 17842 8841 1 12 . 1 1 83 83 LEU C C 84 173.599 173.599 174.735 -1.136 17842 8842 1 12 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.234 -0.360 17842 8843 1 12 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.806 -1.440 17842 8844 1 12 . 1 1 83 83 LEU H H 84 9.049 9.049 7.840 1.209 17842 8845 1 12 . 1 1 84 84 PRO C C 85 175.877 175.877 175.961 -0.084 17842 8846 1 12 . 1 1 84 84 PRO CA C 85 63.041 63.041 62.958 0.083 17842 8847 1 12 . 1 1 84 84 PRO CB C 85 31.486 31.486 30.412 1.075 17842 8848 1 12 . 1 1 85 85 ILE N N 86 119.588 119.588 123.870 -4.282 17842 8849 1 12 . 1 1 85 85 ILE C C 86 175.749 175.749 174.005 1.744 17842 8850 1 12 . 1 1 85 85 ILE CA C 86 59.267 59.267 60.798 -1.531 17842 8851 1 12 . 1 1 85 85 ILE CB C 86 39.835 39.835 40.707 -0.872 17842 8852 1 12 . 1 1 85 85 ILE H H 86 8.205 8.205 8.100 0.105 17842 8853 1 12 . 1 1 86 86 GLY N N 87 112.396 112.396 116.263 -3.867 17842 8854 1 12 . 1 1 86 86 GLY C C 87 174.218 174.218 173.211 1.007 17842 8855 1 12 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.654 0.038 17842 8856 1 12 . 1 1 86 86 GLY H H 87 8.364 8.364 8.492 -0.128 17842 8857 1 12 . 1 1 87 87 ASP N N 88 122.109 122.109 119.597 2.512 17842 8858 1 12 . 1 1 87 87 ASP C C 88 175.839 175.839 176.665 -0.826 17842 8859 1 12 . 1 1 87 87 ASP CA C 88 53.535 53.535 54.583 -1.048 17842 8860 1 12 . 1 1 87 87 ASP CB C 88 41.132 41.132 42.928 -1.796 17842 8861 1 12 . 1 1 87 87 ASP H H 88 8.249 8.249 8.378 -0.129 17842 8862 1 12 . 1 1 88 88 ASN N N 89 116.308 116.308 116.206 0.102 17842 8863 1 12 . 1 1 88 88 ASN C C 89 175.100 175.100 174.264 0.836 17842 8864 1 12 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.824 -0.902 17842 8865 1 12 . 1 1 88 88 ASN CB C 89 38.183 38.183 40.745 -2.562 17842 8866 1 12 . 1 1 88 88 ASN H H 89 8.449 8.449 7.827 0.622 17842 8867 1 12 . 1 1 89 89 ASN N N 90 115.987 115.987 118.637 -2.650 17842 8868 1 12 . 1 1 89 89 ASN C C 90 173.909 173.909 174.114 -0.205 17842 8869 1 12 . 1 1 89 89 ASN CA C 90 54.386 54.386 52.772 1.614 17842 8870 1 12 . 1 1 89 89 ASN CB C 90 37.657 37.657 40.211 -2.554 17842 8871 1 12 . 1 1 89 89 ASN H H 90 8.477 8.477 8.301 0.176 17842 8872 1 12 . 1 1 90 90 THR N N 91 116.991 116.991 113.429 3.562 17842 8873 1 12 . 1 1 90 90 THR C C 91 173.763 173.763 173.458 0.305 17842 8874 1 12 . 1 1 90 90 THR CA C 91 62.170 62.170 61.889 0.281 17842 8875 1 12 . 1 1 90 90 THR CB C 91 68.706 68.706 69.801 -1.095 17842 8876 1 12 . 1 1 90 90 THR H H 91 7.600 7.600 7.726 -0.126 17842 8877 1 12 . 1 1 91 91 LYS N N 92 124.349 124.349 123.263 1.086 17842 8878 1 12 . 1 1 91 91 LYS C C 92 175.815 175.815 176.684 -0.869 17842 8879 1 12 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.382 -0.976 17842 8880 1 12 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.875 0.623 17842 8881 1 12 . 1 1 91 91 LYS H H 92 9.249 9.249 8.644 0.605 17842 8882 1 12 . 1 1 92 92 LEU N N 93 123.462 123.462 128.868 -5.406 17842 8883 1 12 . 1 1 92 92 LEU C C 93 176.260 176.260 175.561 0.699 17842 8884 1 12 . 1 1 92 92 LEU CA C 93 53.829 53.829 54.956 -1.127 17842 8885 1 12 . 1 1 92 92 LEU CB C 93 43.614 43.614 42.457 1.157 17842 8886 1 12 . 1 1 92 92 LEU H H 93 8.650 8.650 8.420 0.230 17842 8887 1 12 . 1 1 93 93 PHE N N 94 119.497 119.497 124.444 -4.947 17842 8888 1 12 . 1 1 93 93 PHE C C 94 173.154 173.154 174.605 -1.451 17842 8889 1 12 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.348 0.788 17842 8890 1 12 . 1 1 93 93 PHE CB C 94 44.093 44.093 40.678 3.415 17842 8891 1 12 . 1 1 93 93 PHE H H 94 8.485 8.485 7.947 0.538 17842 8892 1 12 . 1 1 94 94 GLY N N 95 105.945 105.945 110.012 -4.067 17842 8893 1 12 . 1 1 94 94 GLY C C 95 171.815 171.815 172.339 -0.524 17842 8894 1 12 . 1 1 94 94 GLY CA C 95 44.382 44.382 43.740 0.642 17842 8895 1 12 . 1 1 94 94 GLY H H 95 8.256 8.256 8.269 -0.013 17842 8896 1 12 . 1 1 95 95 GLY N N 96 110.432 110.432 108.296 2.136 17842 8897 1 12 . 1 1 95 95 GLY C C 96 171.826 171.826 171.776 0.050 17842 8898 1 12 . 1 1 95 95 GLY CA C 96 46.886 46.886 46.116 0.770 17842 8899 1 12 . 1 1 95 95 GLY H H 96 9.005 9.005 8.209 0.796 17842 8900 1 12 . 1 1 96 96 ALA N N 97 117.509 117.509 122.118 -4.609 17842 8901 1 12 . 1 1 96 96 ALA C C 97 176.928 176.928 175.397 1.531 17842 8902 1 12 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.130 -0.729 17842 8903 1 12 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.447 0.978 17842 8904 1 12 . 1 1 96 96 ALA H H 97 8.039 8.039 8.140 -0.101 17842 8905 1 12 . 1 1 97 97 THR N N 98 118.891 118.891 115.634 3.257 17842 8906 1 12 . 1 1 97 97 THR C C 98 172.492 172.492 173.092 -0.600 17842 8907 1 12 . 1 1 97 97 THR CA C 98 61.730 61.730 60.411 1.319 17842 8908 1 12 . 1 1 97 97 THR CB C 98 73.046 73.046 70.557 2.489 17842 8909 1 12 . 1 1 97 97 THR H H 98 8.379 8.379 7.985 0.394 17842 8910 1 12 . 1 1 98 98 LEU N N 99 124.958 124.958 125.425 -0.467 17842 8911 1 12 . 1 1 98 98 LEU C C 99 175.753 175.753 174.966 0.787 17842 8912 1 12 . 1 1 98 98 LEU CA C 99 53.474 53.474 54.780 -1.306 17842 8913 1 12 . 1 1 98 98 LEU CB C 99 47.243 47.243 46.124 1.119 17842 8914 1 12 . 1 1 98 98 LEU H H 99 8.880 8.880 8.830 0.050 17842 8915 1 12 . 1 1 99 99 GLY N N 100 106.645 106.645 110.988 -4.343 17842 8916 1 12 . 1 1 99 99 GLY C C 100 169.886 169.886 171.825 -1.939 17842 8917 1 12 . 1 1 99 99 GLY CA C 100 46.631 46.631 44.745 1.885 17842 8918 1 12 . 1 1 99 99 GLY H H 100 8.635 8.635 7.937 0.698 17842 8919 1 12 . 1 1 100 100 LEU N N 101 121.823 121.823 120.703 1.120 17842 8920 1 12 . 1 1 100 100 LEU C C 101 174.876 174.876 174.405 0.471 17842 8921 1 12 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.462 -1.391 17842 8922 1 12 . 1 1 100 100 LEU CB C 101 46.646 46.646 46.207 0.439 17842 8923 1 12 . 1 1 100 100 LEU H H 101 9.088 9.088 8.010 1.078 17842 8924 1 12 . 1 1 101 101 VAL N N 102 118.857 118.857 121.026 -2.169 17842 8925 1 12 . 1 1 101 101 VAL C C 102 174.015 174.015 174.348 -0.333 17842 8926 1 12 . 1 1 101 101 VAL CA C 102 59.666 59.666 59.921 -0.255 17842 8927 1 12 . 1 1 101 101 VAL CB C 102 35.406 35.406 32.892 2.514 17842 8928 1 12 . 1 1 101 101 VAL H H 102 8.291 8.291 8.391 -0.100 17842 8929 1 12 . 1 1 102 102 LYS N N 103 126.552 126.552 126.977 -0.425 17842 8930 1 12 . 1 1 102 102 LYS C C 103 174.712 174.712 174.518 0.194 17842 8931 1 12 . 1 1 102 102 LYS CA C 103 54.433 54.433 55.226 -0.793 17842 8932 1 12 . 1 1 102 102 LYS CB C 103 35.733 35.733 35.197 0.537 17842 8933 1 12 . 1 1 102 102 LYS H H 103 9.141 9.141 8.460 0.681 17842 8934 1 12 . 1 1 103 103 LEU N N 104 129.605 129.605 124.463 5.142 17842 8935 1 12 . 1 1 103 103 LEU C C 104 175.344 175.344 175.547 -0.203 17842 8936 1 12 . 1 1 103 103 LEU CA C 104 53.492 53.492 54.162 -0.670 17842 8937 1 12 . 1 1 103 103 LEU CB C 104 45.004 45.004 45.163 -0.159 17842 8938 1 12 . 1 1 103 103 LEU H H 104 8.921 8.921 8.702 0.219 17842 8939 1 12 . 1 1 104 104 GLU C C 105 174.715 174.715 174.726 -0.011 17842 8940 1 12 . 1 1 104 104 GLU CA C 105 54.626 54.626 56.026 -1.401 17842 8941 1 12 . 1 1 104 104 GLU CB C 105 33.055 33.055 34.055 -1.000 17842 8942 1 12 . 1 1 105 105 GLN N N 106 121.991 121.991 121.866 0.125 17842 8943 1 12 . 1 1 105 105 GLN C C 106 175.002 175.002 175.185 -0.183 17842 8944 1 12 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.871 -1.192 17842 8945 1 12 . 1 1 105 105 GLN CB C 106 30.252 30.252 30.065 0.187 17842 8946 1 12 . 1 1 105 105 GLN H H 106 8.532 8.532 8.504 0.028 17842 8947 1 12 . 1 1 106 106 ASP N N 107 123.884 123.884 119.448 4.436 17842 8948 1 12 . 1 1 106 106 ASP C C 107 176.352 176.352 175.597 0.755 17842 8949 1 12 . 1 1 106 106 ASP CA C 107 54.108 54.108 53.751 0.357 17842 8950 1 12 . 1 1 106 106 ASP CB C 107 41.448 41.448 41.911 -0.463 17842 8951 1 12 . 1 1 106 106 ASP H H 107 8.414 8.414 8.485 -0.071 17842 8952 1 12 . 1 1 107 107 GLY N N 108 110.294 110.294 110.263 0.031 17842 8953 1 12 . 1 1 107 107 GLY C C 108 174.111 174.111 173.441 0.670 17842 8954 1 12 . 1 1 107 107 GLY CA C 108 44.992 44.992 45.182 -0.190 17842 8955 1 12 . 1 1 107 107 GLY H H 108 8.226 8.226 8.425 -0.199 17842 8956 1 12 . 1 1 108 108 LYS N N 109 121.045 121.045 121.541 -0.496 17842 8957 1 12 . 1 1 108 108 LYS C C 109 176.988 176.988 175.492 1.496 17842 8958 1 12 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.175 0.068 17842 8959 1 12 . 1 1 108 108 LYS CB C 109 31.957 31.957 32.754 -0.797 17842 8960 1 12 . 1 1 108 108 LYS H H 109 8.130 8.130 8.247 -0.117 17842 8961 1 12 . 1 1 109 109 GLY N N 110 109.975 109.975 112.252 -2.277 17842 8962 1 12 . 1 1 109 109 GLY C C 110 173.856 173.856 173.659 0.197 17842 8963 1 12 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.907 0.062 17842 8964 1 12 . 1 1 109 109 GLY H H 110 8.313 8.313 8.339 -0.026 17842 8965 1 12 . 1 1 110 110 PHE N N 111 119.873 119.873 123.152 -3.279 17842 8966 1 12 . 1 1 110 110 PHE C C 111 175.195 175.195 175.979 -0.784 17842 8967 1 12 . 1 1 110 110 PHE CA C 111 57.334 57.334 56.541 0.793 17842 8968 1 12 . 1 1 110 110 PHE CB C 111 39.311 39.311 39.945 -0.634 17842 8969 1 12 . 1 1 110 110 PHE H H 111 7.848 7.848 8.038 -0.190 17842 8970 1 12 . 1 1 111 111 LYS N N 112 122.900 122.900 120.942 1.958 17842 8971 1 12 . 1 1 111 111 LYS C C 112 175.898 175.898 175.874 0.024 17842 8972 1 12 . 1 1 111 111 LYS CA C 112 55.928 55.928 56.127 -0.199 17842 8973 1 12 . 1 1 111 111 LYS CB C 112 32.741 32.741 33.160 -0.419 17842 8974 1 12 . 1 1 111 111 LYS H H 112 8.073 8.073 8.656 -0.583 17842 8975 1 12 . 1 1 112 112 ARG N N 113 123.302 123.302 119.461 3.841 17842 8976 1 12 . 1 1 112 112 ARG C C 113 175.762 175.762 175.365 0.397 17842 8977 1 12 . 1 1 112 112 ARG CA C 113 55.877 55.877 55.718 0.159 17842 8978 1 12 . 1 1 112 112 ARG CB C 113 30.678 30.678 31.552 -0.874 17842 8979 1 12 . 1 1 112 112 ARG H H 113 8.277 8.277 8.524 -0.247 17842 8980 1 12 . 1 1 113 113 ASP N N 114 122.193 122.193 122.130 0.063 17842 8981 1 12 . 1 1 113 113 ASP C C 114 175.875 175.875 175.630 0.245 17842 8982 1 12 . 1 1 113 113 ASP CA C 114 54.219 54.219 54.430 -0.211 17842 8983 1 12 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.953 -0.674 17842 8984 1 12 . 1 1 113 113 ASP H H 114 8.300 8.300 8.488 -0.188 17842 8985 1 12 . 1 1 114 114 SER N N 115 114.844 114.844 115.880 -1.036 17842 8986 1 12 . 1 1 114 114 SER C C 115 173.567 173.567 173.005 0.562 17842 8987 1 12 . 1 1 114 114 SER CA C 115 57.538 57.538 58.285 -0.747 17842 8988 1 12 . 1 1 114 114 SER CB C 115 64.306 64.306 63.795 0.511 17842 8989 1 12 . 1 1 114 114 SER H H 115 8.071 8.071 8.617 -0.545 17842 8990 1 12 . 1 1 115 115 ASP N N 116 122.371 122.371 123.275 -0.904 17842 8991 1 12 . 1 1 115 115 ASP C C 116 175.096 175.096 174.532 0.564 17842 8992 1 12 . 1 1 115 115 ASP CA C 116 53.960 53.960 54.315 -0.355 17842 8993 1 12 . 1 1 115 115 ASP CB C 116 42.394 42.394 41.617 0.777 17842 8994 1 12 . 1 1 115 115 ASP H H 116 8.400 8.400 8.659 -0.259 17842 8995 1 12 . 1 1 116 116 VAL N N 117 120.462 120.462 119.419 1.043 17842 8996 1 12 . 1 1 116 116 VAL C C 117 175.349 175.349 176.290 -0.941 17842 8997 1 12 . 1 1 116 116 VAL CA C 117 60.785 60.785 62.327 -1.542 17842 8998 1 12 . 1 1 116 116 VAL CB C 117 33.507 33.507 32.127 1.381 17842 8999 1 12 . 1 1 116 116 VAL H H 117 8.014 8.014 7.602 0.412 17842 9000 1 12 . 1 1 117 117 GLY N N 118 112.807 112.807 115.306 -2.499 17842 9001 1 12 . 1 1 117 117 GLY C C 118 172.079 172.079 172.200 -0.121 17842 9002 1 12 . 1 1 117 117 GLY CA C 118 43.255 43.255 45.434 -2.179 17842 9003 1 12 . 1 1 117 117 GLY H H 118 8.871 8.871 8.021 0.850 17842 9004 1 12 . 1 1 118 118 TYR N N 119 117.704 117.704 119.854 -2.150 17842 9005 1 12 . 1 1 118 118 TYR C C 119 175.024 175.024 174.907 0.117 17842 9006 1 12 . 1 1 118 118 TYR CA C 119 55.968 55.968 57.061 -1.093 17842 9007 1 12 . 1 1 118 118 TYR CB C 119 41.089 41.089 38.801 2.288 17842 9008 1 12 . 1 1 118 118 TYR H H 119 8.406 8.406 8.117 0.289 17842 9009 1 12 . 1 1 119 119 ALA N N 120 122.050 122.050 126.065 -4.015 17842 9010 1 12 . 1 1 119 119 ALA C C 120 175.218 175.218 175.972 -0.754 17842 9011 1 12 . 1 1 119 119 ALA CA C 120 49.661 49.661 50.567 -0.906 17842 9012 1 12 . 1 1 119 119 ALA CB C 120 23.187 23.187 20.776 2.411 17842 9013 1 12 . 1 1 119 119 ALA H H 120 8.605 8.605 8.393 0.212 17842 9014 1 12 . 1 1 120 120 ALA N N 121 119.839 119.839 124.729 -4.890 17842 9015 1 12 . 1 1 120 120 ALA C C 121 175.881 175.881 175.555 0.326 17842 9016 1 12 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.095 -1.755 17842 9017 1 12 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.716 0.749 17842 9018 1 12 . 1 1 120 120 ALA H H 121 8.476 8.476 8.587 -0.111 17842 9019 1 12 . 1 1 121 121 GLY N N 122 107.807 107.807 108.482 -0.675 17842 9020 1 12 . 1 1 121 121 GLY C C 122 171.191 171.191 172.103 -0.912 17842 9021 1 12 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.527 0.538 17842 9022 1 12 . 1 1 121 121 GLY H H 122 8.931 8.931 8.439 0.492 17842 9023 1 12 . 1 1 122 122 LEU N N 123 118.400 118.400 120.689 -2.289 17842 9024 1 12 . 1 1 122 122 LEU C C 123 174.684 174.684 174.024 0.660 17842 9025 1 12 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.256 -1.029 17842 9026 1 12 . 1 1 122 122 LEU CB C 123 48.385 48.385 46.183 2.202 17842 9027 1 12 . 1 1 122 122 LEU H H 123 8.351 8.351 7.997 0.354 17842 9028 1 12 . 1 1 123 123 GLN N N 124 113.455 113.455 120.145 -6.690 17842 9029 1 12 . 1 1 123 123 GLN C C 124 173.895 173.895 173.705 0.190 17842 9030 1 12 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.204 -0.200 17842 9031 1 12 . 1 1 123 123 GLN CB C 124 28.135 28.135 33.893 -5.758 17842 9032 1 12 . 1 1 123 123 GLN H H 124 8.159 8.159 7.972 0.187 17842 9033 1 12 . 1 1 124 124 ALA N N 125 118.711 118.711 121.958 -3.247 17842 9034 1 12 . 1 1 124 124 ALA C C 125 174.962 174.962 174.687 0.275 17842 9035 1 12 . 1 1 124 124 ALA CA C 125 50.796 50.796 51.693 -0.897 17842 9036 1 12 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.960 0.046 17842 9037 1 12 . 1 1 124 124 ALA H H 125 8.638 8.638 8.131 0.507 17842 9038 1 12 . 1 1 125 125 GLY N N 126 103.783 103.783 107.501 -3.718 17842 9039 1 12 . 1 1 125 125 GLY C C 126 170.390 170.390 171.719 -1.329 17842 9040 1 12 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.440 0.970 17842 9041 1 12 . 1 1 125 125 GLY H H 126 7.103 7.103 7.630 -0.527 17842 9042 1 12 . 1 1 126 126 ILE N N 127 118.306 118.306 114.756 3.550 17842 9043 1 12 . 1 1 126 126 ILE C C 127 172.353 172.353 174.043 -1.690 17842 9044 1 12 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.633 -2.040 17842 9045 1 12 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.273 0.892 17842 9046 1 12 . 1 1 126 126 ILE H H 127 8.564 8.564 8.538 0.026 17842 9047 1 12 . 1 1 127 127 LEU N N 128 129.339 129.339 128.163 1.176 17842 9048 1 12 . 1 1 127 127 LEU C C 128 173.613 173.613 175.859 -2.246 17842 9049 1 12 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.047 -0.519 17842 9050 1 12 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.258 3.546 17842 9051 1 12 . 1 1 127 127 LEU H H 128 9.236 9.236 8.311 0.925 17842 9052 1 12 . 1 1 128 128 GLN N N 129 126.801 126.801 126.966 -0.165 17842 9053 1 12 . 1 1 128 128 GLN C C 129 175.093 175.093 174.752 0.341 17842 9054 1 12 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.081 -0.887 17842 9055 1 12 . 1 1 128 128 GLN CB C 129 30.947 30.947 32.059 -1.112 17842 9056 1 12 . 1 1 128 128 GLN H H 129 9.352 9.352 9.232 0.120 17842 9057 1 12 . 1 1 129 129 GLU N N 130 126.822 126.822 126.555 0.267 17842 9058 1 12 . 1 1 129 129 GLU C C 130 176.651 176.651 175.207 1.444 17842 9059 1 12 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.666 0.515 17842 9060 1 12 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.300 -3.539 17842 9061 1 12 . 1 1 129 129 GLU H H 130 8.518 8.518 8.396 0.122 17842 9062 1 12 . 1 1 130 130 LEU N N 131 126.031 126.031 126.778 -0.747 17842 9063 1 12 . 1 1 130 130 LEU C C 131 176.044 176.044 176.820 -0.776 17842 9064 1 12 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.885 -0.710 17842 9065 1 12 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.878 -0.023 17842 9066 1 12 . 1 1 130 130 LEU H H 131 8.708 8.708 8.772 -0.064 17842 9067 1 12 . 1 1 131 131 SER N N 132 113.049 113.049 111.316 1.733 17842 9068 1 12 . 1 1 131 131 SER C C 132 174.092 174.092 173.294 0.798 17842 9069 1 12 . 1 1 131 131 SER CA C 132 55.993 55.993 57.718 -1.724 17842 9070 1 12 . 1 1 131 131 SER CB C 132 64.945 64.945 63.862 1.083 17842 9071 1 12 . 1 1 131 131 SER H H 132 8.282 8.282 7.832 0.450 17842 9072 1 12 . 1 1 132 132 LYS C C 133 176.346 176.346 175.405 0.941 17842 9073 1 12 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.699 1.798 17842 9074 1 12 . 1 1 132 132 LYS CB C 133 31.009 31.009 31.428 -0.419 17842 9075 1 12 . 1 1 133 133 ASN N N 134 110.795 110.795 117.736 -6.941 17842 9076 1 12 . 1 1 133 133 ASN C C 134 173.897 173.897 174.055 -0.158 17842 9077 1 12 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.630 -0.052 17842 9078 1 12 . 1 1 133 133 ASN CB C 134 40.830 40.830 40.930 -0.100 17842 9079 1 12 . 1 1 133 133 ASN H H 134 7.761 7.761 8.300 -0.539 17842 9080 1 12 . 1 1 134 134 ALA N N 135 122.181 122.181 120.572 1.609 17842 9081 1 12 . 1 1 134 134 ALA C C 135 176.250 176.250 174.781 1.469 17842 9082 1 12 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.778 -0.621 17842 9083 1 12 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.316 0.817 17842 9084 1 12 . 1 1 134 134 ALA H H 135 7.562 7.562 7.888 -0.326 17842 9085 1 12 . 1 1 135 135 SER N N 136 114.617 114.617 113.681 0.936 17842 9086 1 12 . 1 1 135 135 SER C C 136 172.507 172.507 173.584 -1.077 17842 9087 1 12 . 1 1 135 135 SER CA C 136 56.164 56.164 56.178 -0.014 17842 9088 1 12 . 1 1 135 135 SER CB C 136 66.255 66.255 65.325 0.930 17842 9089 1 12 . 1 1 135 135 SER H H 136 8.717 8.717 8.208 0.509 17842 9090 1 12 . 1 1 136 136 ILE N N 137 114.495 114.495 121.650 -7.155 17842 9091 1 12 . 1 1 136 136 ILE C C 137 173.136 173.136 173.960 -0.824 17842 9092 1 12 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.805 -2.385 17842 9093 1 12 . 1 1 136 136 ILE CB C 137 42.700 42.700 41.987 0.713 17842 9094 1 12 . 1 1 136 136 ILE H H 137 8.592 8.592 8.982 -0.390 17842 9095 1 12 . 1 1 137 137 GLU N N 138 122.016 122.016 125.804 -3.788 17842 9096 1 12 . 1 1 137 137 GLU C C 138 173.792 173.792 175.226 -1.434 17842 9097 1 12 . 1 1 137 137 GLU CA C 138 53.537 53.537 53.935 -0.398 17842 9098 1 12 . 1 1 137 137 GLU CB C 138 35.118 35.118 34.239 0.880 17842 9099 1 12 . 1 1 137 137 GLU H H 138 8.902 8.902 8.665 0.237 17842 9100 1 12 . 1 1 138 138 GLY N N 139 107.847 107.847 110.386 -2.539 17842 9101 1 12 . 1 1 138 138 GLY C C 139 171.817 171.817 172.473 -0.656 17842 9102 1 12 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.205 -1.135 17842 9103 1 12 . 1 1 138 138 GLY H H 139 8.485 8.485 8.127 0.358 17842 9104 1 12 . 1 1 139 139 GLY N N 140 108.290 108.290 109.431 -1.141 17842 9105 1 12 . 1 1 139 139 GLY C C 140 169.172 169.172 171.485 -2.313 17842 9106 1 12 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.633 0.081 17842 9107 1 12 . 1 1 139 139 GLY H H 140 7.841 7.841 8.554 -0.713 17842 9108 1 12 . 1 1 140 140 TYR N N 141 119.674 119.674 117.621 2.053 17842 9109 1 12 . 1 1 140 140 TYR C C 141 173.643 173.643 173.918 -0.275 17842 9110 1 12 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.262 -1.083 17842 9111 1 12 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.112 0.032 17842 9112 1 12 . 1 1 140 140 TYR H H 141 8.726 8.726 8.670 0.056 17842 9113 1 12 . 1 1 141 141 ARG N N 142 125.021 125.021 118.810 6.211 17842 9114 1 12 . 1 1 141 141 ARG C C 142 173.533 173.533 173.602 -0.069 17842 9115 1 12 . 1 1 141 141 ARG CA C 142 53.813 53.813 54.541 -0.728 17842 9116 1 12 . 1 1 141 141 ARG CB C 142 33.239 33.239 35.173 -1.934 17842 9117 1 12 . 1 1 141 141 ARG H H 142 8.502 8.502 8.111 0.391 17842 9118 1 12 . 1 1 142 142 TYR N N 143 128.805 128.805 120.737 8.068 17842 9119 1 12 . 1 1 142 142 TYR C C 143 173.475 173.475 175.276 -1.801 17842 9120 1 12 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.357 0.071 17842 9121 1 12 . 1 1 142 142 TYR CB C 143 41.642 41.642 41.016 0.626 17842 9122 1 12 . 1 1 142 142 TYR H H 143 8.978 8.978 9.307 -0.329 17842 9123 1 12 . 1 1 143 143 LEU N N 144 125.513 125.513 124.117 1.396 17842 9124 1 12 . 1 1 143 143 LEU C C 144 175.370 175.370 175.230 0.140 17842 9125 1 12 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.248 -1.355 17842 9126 1 12 . 1 1 143 143 LEU CB C 144 45.924 45.924 44.798 1.126 17842 9127 1 12 . 1 1 143 143 LEU H H 144 8.117 8.117 8.759 -0.642 17842 9128 1 12 . 1 1 144 144 ARG N N 145 122.193 122.193 124.075 -1.882 17842 9129 1 12 . 1 1 144 144 ARG C C 145 175.452 175.452 174.133 1.319 17842 9130 1 12 . 1 1 144 144 ARG CA C 145 54.077 54.077 55.927 -1.850 17842 9131 1 12 . 1 1 144 144 ARG CB C 145 31.377 31.377 34.115 -2.738 17842 9132 1 12 . 1 1 144 144 ARG H H 145 8.810 8.810 8.764 0.046 17842 9133 1 12 . 1 1 145 145 THR C C 146 172.708 172.708 173.961 -1.253 17842 9134 1 12 . 1 1 145 145 THR CA C 146 59.117 59.117 61.339 -2.222 17842 9135 1 12 . 1 1 145 145 THR CB C 146 70.345 70.345 69.681 0.664 17842 9136 1 12 . 1 1 146 146 ASN N N 147 120.236 120.236 124.702 -4.466 17842 9137 1 12 . 1 1 146 146 ASN C C 147 175.341 175.341 175.206 0.135 17842 9138 1 12 . 1 1 146 146 ASN CA C 147 51.880 51.880 52.781 -0.901 17842 9139 1 12 . 1 1 146 146 ASN CB C 147 38.462 38.462 40.966 -2.504 17842 9140 1 12 . 1 1 146 146 ASN H H 147 8.259 8.259 8.995 -0.736 17842 9141 1 12 . 1 1 147 147 ALA N N 148 124.724 124.724 128.252 -3.528 17842 9142 1 12 . 1 1 147 147 ALA C C 148 176.378 176.378 177.598 -1.220 17842 9143 1 12 . 1 1 147 147 ALA CA C 148 52.179 52.179 54.186 -2.007 17842 9144 1 12 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.104 -0.478 17842 9145 1 12 . 1 1 147 147 ALA H H 148 8.256 8.256 8.657 -0.401 17842 9146 1 12 . 1 1 148 148 SER N N 149 115.670 115.670 110.254 5.416 17842 9147 1 12 . 1 1 148 148 SER C C 149 174.123 174.123 172.660 1.463 17842 9148 1 12 . 1 1 148 148 SER CA C 149 57.281 57.281 57.951 -0.670 17842 9149 1 12 . 1 1 148 148 SER CB C 149 64.685 64.685 65.356 -0.671 17842 9150 1 12 . 1 1 148 148 SER H H 149 8.372 8.372 7.668 0.704 17842 9151 1 12 . 1 1 149 149 THR N N 150 115.292 115.292 111.712 3.580 17842 9152 1 12 . 1 1 149 149 THR C C 150 173.858 173.858 174.057 -0.199 17842 9153 1 12 . 1 1 149 149 THR CA C 150 61.189 61.189 62.142 -0.952 17842 9154 1 12 . 1 1 149 149 THR CB C 150 69.105 69.105 69.324 -0.219 17842 9155 1 12 . 1 1 149 149 THR H H 150 8.228 8.228 8.267 -0.039 17842 9156 1 12 . 1 1 150 150 GLU N N 151 123.244 123.244 121.217 2.027 17842 9157 1 12 . 1 1 150 150 GLU C C 151 176.121 176.121 177.501 -1.380 17842 9158 1 12 . 1 1 150 150 GLU CA C 151 56.002 56.002 57.181 -1.179 17842 9159 1 12 . 1 1 150 150 GLU CB C 151 29.931 29.931 30.233 -0.302 17842 9160 1 12 . 1 1 150 150 GLU H H 151 8.186 8.186 8.505 -0.319 17842 9161 1 12 . 1 1 151 151 MET N N 152 121.600 121.600 119.148 2.452 17842 9162 1 12 . 1 1 151 151 MET C C 152 175.810 175.810 176.292 -0.482 17842 9163 1 12 . 1 1 151 151 MET CA C 152 55.254 55.254 56.422 -1.168 17842 9164 1 12 . 1 1 151 151 MET CB C 152 33.247 33.247 32.954 0.293 17842 9165 1 12 . 1 1 151 151 MET H H 152 8.248 8.248 7.960 0.288 17842 9166 1 12 . 1 1 152 152 THR N N 153 117.486 117.486 113.818 3.668 17842 9167 1 12 . 1 1 152 152 THR C C 153 172.907 172.907 172.992 -0.085 17842 9168 1 12 . 1 1 152 152 THR CA C 153 59.365 59.365 58.854 0.511 17842 9169 1 12 . 1 1 152 152 THR CB C 153 69.366 69.366 68.862 0.504 17842 9170 1 12 . 1 1 152 152 THR H H 153 8.113 8.113 7.613 0.500 17842 9171 1 12 . 1 1 155 155 GLY C C 156 174.620 174.620 173.524 1.096 17842 9172 1 12 . 1 1 155 155 GLY CA C 156 45.280 45.280 44.993 0.287 17842 9173 1 12 . 1 1 156 156 GLY N N 157 109.059 109.059 108.786 0.273 17842 9174 1 12 . 1 1 156 156 GLY C C 157 173.801 173.801 173.031 0.770 17842 9175 1 12 . 1 1 156 156 GLY CA C 157 44.929 44.929 44.461 0.468 17842 9176 1 12 . 1 1 156 156 GLY H H 157 8.175 8.175 8.142 0.033 17842 9177 1 12 . 1 1 157 157 ASN N N 158 118.630 118.630 120.871 -2.241 17842 9178 1 12 . 1 1 157 157 ASN C C 158 175.025 175.025 175.232 -0.207 17842 9179 1 12 . 1 1 157 157 ASN CA C 158 52.791 52.791 52.675 0.116 17842 9180 1 12 . 1 1 157 157 ASN CB C 158 38.532 38.532 39.536 -1.004 17842 9181 1 12 . 1 1 157 157 ASN H H 158 8.114 8.114 8.441 -0.327 17842 9182 1 12 . 1 1 158 158 LYS N N 159 121.755 121.755 122.435 -0.680 17842 9183 1 12 . 1 1 158 158 LYS C C 159 176.361 176.361 177.019 -0.658 17842 9184 1 12 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.147 0.325 17842 9185 1 12 . 1 1 158 158 LYS CB C 159 32.403 32.403 33.176 -0.773 17842 9186 1 12 . 1 1 158 158 LYS H H 159 8.169 8.169 8.448 -0.279 17842 9187 1 12 . 1 1 159 159 LEU N N 160 123.084 123.084 119.671 3.413 17842 9188 1 12 . 1 1 159 159 LEU C C 160 177.408 177.408 177.964 -0.556 17842 9189 1 12 . 1 1 159 159 LEU CA C 160 55.162 55.162 54.877 0.285 17842 9190 1 12 . 1 1 159 159 LEU CB C 160 42.690 42.690 42.630 0.060 17842 9191 1 12 . 1 1 159 159 LEU H H 160 8.173 8.173 8.099 0.074 17842 9192 1 12 . 1 1 160 160 GLY N N 161 109.180 109.180 108.539 0.641 17842 9193 1 12 . 1 1 160 160 GLY C C 161 173.574 173.574 174.068 -0.494 17842 9194 1 12 . 1 1 160 160 GLY CA C 161 44.877 44.877 44.915 -0.038 17842 9195 1 12 . 1 1 160 160 GLY H H 161 8.117 8.117 8.652 -0.535 17842 9196 1 12 . 1 1 161 161 SER N N 162 115.719 115.719 115.549 0.170 17842 9197 1 12 . 1 1 161 161 SER C C 162 173.715 173.715 174.366 -0.651 17842 9198 1 12 . 1 1 161 161 SER CA C 162 57.965 57.965 57.368 0.597 17842 9199 1 12 . 1 1 161 161 SER CB C 162 63.856 63.856 65.254 -1.398 17842 9200 1 12 . 1 1 161 161 SER H H 162 8.064 8.064 7.942 0.122 17842 9201 1 12 . 1 1 162 162 LEU N N 163 123.433 123.433 120.659 2.774 17842 9202 1 12 . 1 1 162 162 LEU C C 163 175.609 175.609 177.108 -1.499 17842 9203 1 12 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.032 -0.647 17842 9204 1 12 . 1 1 162 162 LEU CB C 163 43.046 43.046 42.408 0.638 17842 9205 1 12 . 1 1 162 162 LEU H H 163 8.282 8.282 8.385 -0.103 17842 9206 1 12 . 1 1 163 163 ASP N N 164 122.223 122.223 120.001 2.222 17842 9207 1 12 . 1 1 163 163 ASP C C 164 175.122 175.122 175.224 -0.102 17842 9208 1 12 . 1 1 163 163 ASP CA C 164 53.400 53.400 53.945 -0.545 17842 9209 1 12 . 1 1 163 163 ASP CB C 164 41.200 41.200 41.710 -0.510 17842 9210 1 12 . 1 1 163 163 ASP H H 164 8.356 8.356 7.998 0.358 17842 9211 1 12 . 1 1 166 166 SER C C 167 172.472 172.472 173.403 -0.931 17842 9212 1 12 . 1 1 166 166 SER CA C 167 56.760 56.760 57.959 -1.198 17842 9213 1 12 . 1 1 167 167 SER N N 168 115.939 115.939 116.338 -0.399 17842 9214 1 12 . 1 1 167 167 SER C C 168 173.318 173.318 173.061 0.257 17842 9215 1 12 . 1 1 167 167 SER CA C 168 56.763 56.763 57.998 -1.236 17842 9216 1 12 . 1 1 167 167 SER CB C 168 65.286 65.286 64.003 1.283 17842 9217 1 12 . 1 1 167 167 SER H H 168 8.678 8.678 8.905 -0.227 17842 9218 1 12 . 1 1 168 168 SER C C 169 172.500 172.500 173.563 -1.063 17842 9219 1 12 . 1 1 168 168 SER CA C 169 56.569 56.569 57.746 -1.177 17842 9220 1 12 . 1 1 168 168 SER CB C 169 65.738 65.738 63.866 1.872 17842 9221 1 12 . 1 1 169 169 GLN N N 170 122.951 122.951 123.118 -0.167 17842 9222 1 12 . 1 1 169 169 GLN C C 170 174.697 174.697 174.518 0.179 17842 9223 1 12 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.761 -0.723 17842 9224 1 12 . 1 1 169 169 GLN CB C 170 32.383 32.383 33.533 -1.150 17842 9225 1 12 . 1 1 169 169 GLN H H 170 8.745 8.745 8.030 0.715 17842 9226 1 12 . 1 1 170 170 PHE N N 171 125.628 125.628 121.284 4.344 17842 9227 1 12 . 1 1 170 170 PHE C C 171 174.628 174.628 174.601 0.027 17842 9228 1 12 . 1 1 170 170 PHE CA C 171 56.200 56.200 57.315 -1.115 17842 9229 1 12 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.809 -1.258 17842 9230 1 12 . 1 1 170 170 PHE H H 171 7.771 7.771 8.660 -0.889 17842 9231 1 12 . 1 1 171 171 TYR N N 172 121.558 121.558 119.971 1.587 17842 9232 1 12 . 1 1 171 171 TYR C C 172 171.727 171.727 174.159 -2.432 17842 9233 1 12 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.553 -1.508 17842 9234 1 12 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.327 0.112 17842 9235 1 12 . 1 1 171 171 TYR H H 172 8.696 8.696 8.774 -0.078 17842 9236 1 12 . 1 1 172 172 LEU N N 173 119.230 119.230 127.042 -7.812 17842 9237 1 12 . 1 1 172 172 LEU C C 173 176.352 176.352 174.727 1.625 17842 9238 1 12 . 1 1 172 172 LEU CA C 173 52.743 52.743 55.038 -2.295 17842 9239 1 12 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.773 -0.236 17842 9240 1 12 . 1 1 172 172 LEU H H 173 8.971 8.971 8.201 0.770 17842 9241 1 12 . 1 1 173 173 GLY N N 174 107.248 107.248 110.416 -3.168 17842 9242 1 12 . 1 1 173 173 GLY C C 174 170.680 170.680 171.994 -1.314 17842 9243 1 12 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.111 -1.191 17842 9244 1 12 . 1 1 173 173 GLY H H 174 9.085 9.085 9.048 0.037 17842 9245 1 12 . 1 1 174 174 ALA N N 175 121.461 121.461 121.290 0.171 17842 9246 1 12 . 1 1 174 174 ALA C C 175 174.546 174.546 175.405 -0.859 17842 9247 1 12 . 1 1 174 174 ALA CA C 175 50.312 50.312 50.399 -0.087 17842 9248 1 12 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.550 -0.907 17842 9249 1 12 . 1 1 174 174 ALA H H 175 8.575 8.575 7.907 0.668 17842 9250 1 12 . 1 1 175 175 ASN N N 176 117.370 117.370 116.667 0.703 17842 9251 1 12 . 1 1 175 175 ASN C C 176 173.370 173.370 173.151 0.219 17842 9252 1 12 . 1 1 175 175 ASN CA C 176 51.599 51.599 54.172 -2.573 17842 9253 1 12 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.882 -0.925 17842 9254 1 12 . 1 1 175 175 ASN H H 176 8.762 8.762 8.434 0.328 17842 9255 1 12 . 1 1 176 176 TYR N N 177 122.724 122.724 126.329 -3.605 17842 9256 1 12 . 1 1 176 176 TYR C C 177 173.924 173.924 174.030 -0.106 17842 9257 1 12 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.208 0.230 17842 9258 1 12 . 1 1 176 176 TYR CB C 177 42.401 42.401 41.506 0.895 17842 9259 1 12 . 1 1 176 176 TYR H H 177 9.570 9.570 9.361 0.209 17842 9260 1 12 . 1 1 177 177 LYS N N 178 127.067 127.067 125.520 1.547 17842 9261 1 12 . 1 1 177 177 LYS C C 178 174.336 174.336 174.623 -0.287 17842 9262 1 12 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.187 -0.944 17842 9263 1 12 . 1 1 177 177 LYS CB C 178 33.951 33.951 32.911 1.040 17842 9264 1 12 . 1 1 177 177 LYS H H 178 8.284 8.284 7.738 0.546 17842 9265 1 13 . 1 1 2 2 ASP N N 3 119.767 119.767 121.230 -1.463 17842 9266 1 13 . 1 1 2 2 ASP C C 3 175.809 175.809 174.705 1.104 17842 9267 1 13 . 1 1 2 2 ASP CA C 3 53.303 53.303 53.297 0.006 17842 9268 1 13 . 1 1 2 2 ASP CB C 3 42.915 42.915 45.398 -2.482 17842 9269 1 13 . 1 1 2 2 ASP H H 3 8.443 8.443 8.252 0.191 17842 9270 1 13 . 1 1 3 3 ASN N N 4 123.667 123.667 121.793 1.874 17842 9271 1 13 . 1 1 3 3 ASN C C 4 174.736 174.736 174.294 0.442 17842 9272 1 13 . 1 1 3 3 ASN CA C 4 52.911 52.911 54.305 -1.394 17842 9273 1 13 . 1 1 3 3 ASN CB C 4 39.160 39.160 39.438 -0.278 17842 9274 1 13 . 1 1 3 3 ASN H H 4 8.923 8.923 8.777 0.146 17842 9275 1 13 . 1 1 4 4 PHE N N 5 118.447 118.447 124.024 -5.577 17842 9276 1 13 . 1 1 4 4 PHE C C 5 172.331 172.331 173.965 -1.634 17842 9277 1 13 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.319 -1.267 17842 9278 1 13 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.397 -0.534 17842 9279 1 13 . 1 1 4 4 PHE H H 5 8.910 8.910 8.069 0.841 17842 9280 1 13 . 1 1 5 5 VAL N N 6 116.195 116.195 122.104 -5.909 17842 9281 1 13 . 1 1 5 5 VAL C C 6 174.144 174.144 175.271 -1.127 17842 9282 1 13 . 1 1 5 5 VAL CA C 6 58.529 58.529 61.095 -2.566 17842 9283 1 13 . 1 1 5 5 VAL CB C 6 35.818 35.818 34.858 0.960 17842 9284 1 13 . 1 1 5 5 VAL H H 6 8.903 8.903 8.763 0.140 17842 9285 1 13 . 1 1 6 6 GLY N N 7 110.150 110.150 114.555 -4.405 17842 9286 1 13 . 1 1 6 6 GLY C C 7 170.825 170.825 172.158 -1.333 17842 9287 1 13 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.466 0.752 17842 9288 1 13 . 1 1 6 6 GLY H H 7 8.670 8.670 8.904 -0.234 17842 9289 1 13 . 1 1 7 7 LEU N N 8 120.059 120.059 119.217 0.842 17842 9290 1 13 . 1 1 7 7 LEU C C 8 175.596 175.596 175.429 0.167 17842 9291 1 13 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.626 -1.693 17842 9292 1 13 . 1 1 7 7 LEU CB C 8 47.663 47.663 46.913 0.749 17842 9293 1 13 . 1 1 7 7 LEU H H 8 8.562 8.562 8.044 0.518 17842 9294 1 13 . 1 1 8 8 THR N N 9 112.180 112.180 110.861 1.319 17842 9295 1 13 . 1 1 8 8 THR C C 9 172.942 172.942 172.794 0.148 17842 9296 1 13 . 1 1 8 8 THR CA C 9 59.539 59.539 61.688 -2.149 17842 9297 1 13 . 1 1 8 8 THR CB C 9 70.735 70.735 71.737 -1.002 17842 9298 1 13 . 1 1 8 8 THR H H 9 9.114 9.114 8.516 0.598 17842 9299 1 13 . 1 1 9 9 TRP N N 10 121.476 121.476 126.009 -4.533 17842 9300 1 13 . 1 1 9 9 TRP C C 10 174.622 174.622 174.430 0.192 17842 9301 1 13 . 1 1 9 9 TRP CA C 10 56.418 56.418 56.801 -0.383 17842 9302 1 13 . 1 1 9 9 TRP CB C 10 31.877 31.877 33.299 -1.422 17842 9303 1 13 . 1 1 9 9 TRP H H 10 9.022 9.022 8.553 0.469 17842 9304 1 13 . 1 1 10 10 GLY N N 11 112.750 112.750 113.747 -0.997 17842 9305 1 13 . 1 1 10 10 GLY C C 11 171.655 171.655 172.584 -0.929 17842 9306 1 13 . 1 1 10 10 GLY CA C 11 44.940 44.940 44.450 0.490 17842 9307 1 13 . 1 1 10 10 GLY H H 11 7.798 7.798 9.356 -1.558 17842 9308 1 13 . 1 1 11 11 GLU N N 12 117.292 117.292 119.337 -2.045 17842 9309 1 13 . 1 1 11 11 GLU C C 12 175.810 175.810 175.498 0.312 17842 9310 1 13 . 1 1 11 11 GLU CA C 12 53.743 53.743 54.585 -0.842 17842 9311 1 13 . 1 1 11 11 GLU CB C 12 31.361 31.361 32.109 -0.748 17842 9312 1 13 . 1 1 11 11 GLU H H 12 8.223 8.223 7.828 0.395 17842 9313 1 13 . 1 1 12 12 THR N N 13 123.477 123.477 117.806 5.671 17842 9314 1 13 . 1 1 12 12 THR C C 13 174.233 174.233 173.327 0.906 17842 9315 1 13 . 1 1 12 12 THR CA C 13 61.872 61.872 62.258 -0.386 17842 9316 1 13 . 1 1 12 12 THR CB C 13 69.374 69.374 69.592 -0.218 17842 9317 1 13 . 1 1 12 12 THR H H 13 8.722 8.722 8.139 0.584 17842 9318 1 13 . 1 1 13 13 SER N N 14 122.220 122.220 121.648 0.572 17842 9319 1 13 . 1 1 13 13 SER C C 14 173.577 173.577 172.569 1.008 17842 9320 1 13 . 1 1 13 13 SER CA C 14 56.934 56.934 57.220 -0.286 17842 9321 1 13 . 1 1 13 13 SER CB C 14 64.249 64.249 64.005 0.244 17842 9322 1 13 . 1 1 13 13 SER H H 14 9.225 9.225 8.579 0.646 17842 9323 1 13 . 1 1 14 14 ASN N N 15 125.159 125.159 119.457 5.702 17842 9324 1 13 . 1 1 14 14 ASN C C 15 174.673 174.673 174.421 0.252 17842 9325 1 13 . 1 1 14 14 ASN CA C 15 51.888 51.888 52.892 -1.004 17842 9326 1 13 . 1 1 14 14 ASN CB C 15 39.777 39.777 40.306 -0.529 17842 9327 1 13 . 1 1 14 14 ASN H H 15 8.745 8.745 8.036 0.709 17842 9328 1 13 . 1 1 15 15 ASN N N 16 120.330 120.330 121.353 -1.023 17842 9329 1 13 . 1 1 15 15 ASN C C 16 175.886 175.886 174.649 1.237 17842 9330 1 13 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.514 -0.734 17842 9331 1 13 . 1 1 15 15 ASN CB C 16 38.595 38.595 38.513 0.082 17842 9332 1 13 . 1 1 15 15 ASN H H 16 8.494 8.494 8.697 -0.203 17842 9333 1 13 . 1 1 20 20 LYS C C 21 176.705 176.705 177.196 -0.491 17842 9334 1 13 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.144 0.539 17842 9335 1 13 . 1 1 21 21 SER N N 22 115.966 115.966 117.376 -1.410 17842 9336 1 13 . 1 1 21 21 SER C C 22 174.564 174.564 175.084 -0.520 17842 9337 1 13 . 1 1 21 21 SER CA C 22 58.149 58.149 57.747 0.402 17842 9338 1 13 . 1 1 21 21 SER CB C 22 63.308 63.308 63.517 -0.209 17842 9339 1 13 . 1 1 21 21 SER H H 22 8.053 8.053 8.441 -0.388 17842 9340 1 13 . 1 1 22 22 LEU N N 23 123.751 123.751 124.568 -0.817 17842 9341 1 13 . 1 1 22 22 LEU C C 23 176.968 176.968 176.508 0.460 17842 9342 1 13 . 1 1 22 22 LEU CA C 23 55.269 55.269 55.551 -0.282 17842 9343 1 13 . 1 1 22 22 LEU CB C 23 42.334 42.334 42.441 -0.107 17842 9344 1 13 . 1 1 22 22 LEU H H 23 8.006 8.006 8.646 -0.640 17842 9345 1 13 . 1 1 23 23 ASN N N 24 118.937 118.937 117.611 1.326 17842 9346 1 13 . 1 1 23 23 ASN C C 24 175.119 175.119 174.145 0.974 17842 9347 1 13 . 1 1 23 23 ASN CA C 24 52.993 52.993 53.364 -0.371 17842 9348 1 13 . 1 1 23 23 ASN CB C 24 38.255 38.255 38.360 -0.105 17842 9349 1 13 . 1 1 23 23 ASN H H 24 8.136 8.136 8.331 -0.195 17842 9350 1 13 . 1 1 24 24 ARG N N 25 121.500 121.500 121.910 -0.410 17842 9351 1 13 . 1 1 24 24 ARG C C 25 175.849 175.849 174.908 0.941 17842 9352 1 13 . 1 1 24 24 ARG CA C 25 56.368 56.368 55.693 0.675 17842 9353 1 13 . 1 1 24 24 ARG CB C 25 30.366 30.366 31.927 -1.561 17842 9354 1 13 . 1 1 24 24 ARG H H 25 8.097 8.097 8.342 -0.245 17842 9355 1 13 . 1 1 25 25 ASN N N 26 119.196 119.196 119.037 0.159 17842 9356 1 13 . 1 1 25 25 ASN C C 26 175.122 175.122 175.570 -0.448 17842 9357 1 13 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.234 -0.173 17842 9358 1 13 . 1 1 25 25 ASN CB C 26 38.291 38.291 39.322 -1.031 17842 9359 1 13 . 1 1 25 25 ASN H H 26 8.278 8.278 8.370 -0.092 17842 9360 1 13 . 1 1 26 26 LEU N N 27 122.352 122.352 123.532 -1.180 17842 9361 1 13 . 1 1 26 26 LEU C C 27 176.903 176.903 175.941 0.962 17842 9362 1 13 . 1 1 26 26 LEU CA C 27 55.326 55.326 54.685 0.641 17842 9363 1 13 . 1 1 26 26 LEU CB C 27 42.186 42.186 41.549 0.637 17842 9364 1 13 . 1 1 26 26 LEU H H 27 7.992 7.992 8.539 -0.547 17842 9365 1 13 . 1 1 27 27 ASN N N 28 118.444 118.444 121.714 -3.270 17842 9366 1 13 . 1 1 27 27 ASN C C 28 174.754 174.754 174.591 0.163 17842 9367 1 13 . 1 1 27 27 ASN CA C 28 52.960 52.960 52.504 0.456 17842 9368 1 13 . 1 1 27 27 ASN CB C 28 38.419 38.419 38.061 0.358 17842 9369 1 13 . 1 1 27 27 ASN H H 28 8.216 8.216 8.414 -0.198 17842 9370 1 13 . 1 1 28 28 SER N N 29 116.471 116.471 118.795 -2.324 17842 9371 1 13 . 1 1 28 28 SER C C 29 172.778 172.778 174.089 -1.311 17842 9372 1 13 . 1 1 28 28 SER CA C 29 55.982 55.982 56.224 -0.242 17842 9373 1 13 . 1 1 28 28 SER CB C 29 63.179 63.179 63.227 -0.048 17842 9374 1 13 . 1 1 28 28 SER H H 29 7.833 7.833 8.324 -0.491 17842 9375 1 13 . 1 1 29 29 PRO C C 30 176.535 176.535 175.818 0.717 17842 9376 1 13 . 1 1 29 29 PRO CA C 30 63.458 63.458 64.151 -0.693 17842 9377 1 13 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.196 -0.524 17842 9378 1 13 . 1 1 30 30 ASN N N 31 118.189 118.189 116.580 1.609 17842 9379 1 13 . 1 1 30 30 ASN C C 31 175.075 175.075 173.290 1.785 17842 9380 1 13 . 1 1 30 30 ASN CA C 31 53.051 53.051 52.604 0.447 17842 9381 1 13 . 1 1 30 30 ASN CB C 31 38.277 38.277 39.754 -1.477 17842 9382 1 13 . 1 1 30 30 ASN H H 31 8.231 8.231 7.828 0.403 17842 9383 1 13 . 1 1 31 31 LEU N N 32 122.838 122.838 119.779 3.059 17842 9384 1 13 . 1 1 31 31 LEU C C 32 176.800 176.800 175.628 1.172 17842 9385 1 13 . 1 1 31 31 LEU CA C 32 55.107 55.107 55.076 0.031 17842 9386 1 13 . 1 1 31 31 LEU CB C 32 42.291 42.291 42.494 -0.203 17842 9387 1 13 . 1 1 31 31 LEU H H 32 8.011 8.011 8.480 -0.469 17842 9388 1 13 . 1 1 32 32 ASP N N 33 120.740 120.740 120.260 0.480 17842 9389 1 13 . 1 1 32 32 ASP C C 33 175.863 175.863 176.935 -1.072 17842 9390 1 13 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.991 -0.660 17842 9391 1 13 . 1 1 32 32 ASP CB C 33 40.758 40.758 42.254 -1.496 17842 9392 1 13 . 1 1 32 32 ASP H H 33 8.151 8.151 8.189 -0.038 17842 9393 1 13 . 1 1 33 33 LYS N N 34 120.746 120.746 118.258 2.488 17842 9394 1 13 . 1 1 33 33 LYS C C 34 175.912 175.912 174.965 0.947 17842 9395 1 13 . 1 1 33 33 LYS CA C 34 55.865 55.865 56.581 -0.716 17842 9396 1 13 . 1 1 33 33 LYS CB C 34 32.738 32.738 34.595 -1.857 17842 9397 1 13 . 1 1 33 33 LYS H H 34 7.933 7.933 7.982 -0.049 17842 9398 1 13 . 1 1 34 34 VAL N N 35 121.590 121.590 118.835 2.755 17842 9399 1 13 . 1 1 34 34 VAL C C 35 175.691 175.691 176.715 -1.024 17842 9400 1 13 . 1 1 34 34 VAL CA C 35 62.186 62.186 61.214 0.972 17842 9401 1 13 . 1 1 34 34 VAL CB C 35 32.591 32.591 31.422 1.169 17842 9402 1 13 . 1 1 34 34 VAL H H 35 7.995 7.995 7.862 0.133 17842 9403 1 13 . 1 1 35 35 ILE N N 36 124.025 124.025 119.235 4.790 17842 9404 1 13 . 1 1 35 35 ILE C C 36 175.266 175.266 176.550 -1.284 17842 9405 1 13 . 1 1 35 35 ILE CA C 36 60.495 60.495 62.862 -2.367 17842 9406 1 13 . 1 1 35 35 ILE CB C 36 38.489 38.489 38.499 -0.010 17842 9407 1 13 . 1 1 35 35 ILE H H 36 8.034 8.034 8.178 -0.144 17842 9408 1 13 . 1 1 36 36 ASP N N 37 125.860 125.860 117.378 8.482 17842 9409 1 13 . 1 1 36 36 ASP C C 37 175.014 175.014 174.481 0.533 17842 9410 1 13 . 1 1 36 36 ASP CA C 37 53.719 53.719 54.713 -0.994 17842 9411 1 13 . 1 1 36 36 ASP CB C 37 41.755 41.755 40.724 1.031 17842 9412 1 13 . 1 1 36 36 ASP H H 37 8.190 8.190 8.276 -0.086 17842 9413 1 13 . 1 1 37 37 ASN N N 38 120.770 120.770 118.084 2.686 17842 9414 1 13 . 1 1 37 37 ASN C C 38 174.821 174.821 173.570 1.251 17842 9415 1 13 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.093 0.064 17842 9416 1 13 . 1 1 37 37 ASN CB C 38 38.663 38.663 39.517 -0.854 17842 9417 1 13 . 1 1 37 37 ASN H H 38 8.334 8.334 8.148 0.186 17842 9418 1 13 . 1 1 38 38 THR N N 39 115.976 115.976 112.463 3.513 17842 9419 1 13 . 1 1 38 38 THR C C 39 175.226 175.226 172.948 2.278 17842 9420 1 13 . 1 1 38 38 THR CA C 39 62.215 62.215 62.080 0.135 17842 9421 1 13 . 1 1 38 38 THR CB C 39 69.618 69.618 71.491 -1.873 17842 9422 1 13 . 1 1 38 38 THR H H 39 8.508 8.508 7.526 0.982 17842 9423 1 13 . 1 1 39 39 GLY N N 40 115.818 115.818 110.562 5.256 17842 9424 1 13 . 1 1 39 39 GLY C C 40 172.862 172.862 173.148 -0.286 17842 9425 1 13 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.900 0.268 17842 9426 1 13 . 1 1 39 39 GLY H H 40 8.819 8.819 8.131 0.688 17842 9427 1 13 . 1 1 40 40 THR N N 41 119.787 119.787 113.907 5.880 17842 9428 1 13 . 1 1 40 40 THR C C 41 172.914 172.914 173.226 -0.312 17842 9429 1 13 . 1 1 40 40 THR CA C 41 61.321 61.321 61.187 0.134 17842 9430 1 13 . 1 1 40 40 THR CB C 41 71.499 71.499 70.251 1.248 17842 9431 1 13 . 1 1 40 40 THR H H 41 8.117 8.117 8.164 -0.047 17842 9432 1 13 . 1 1 41 41 TRP N N 42 128.090 128.090 124.201 3.889 17842 9433 1 13 . 1 1 41 41 TRP C C 42 174.627 174.627 174.368 0.259 17842 9434 1 13 . 1 1 41 41 TRP CA C 42 55.122 55.122 54.797 0.325 17842 9435 1 13 . 1 1 41 41 TRP CB C 42 31.905 31.905 31.680 0.225 17842 9436 1 13 . 1 1 41 41 TRP H H 42 8.178 8.178 7.902 0.276 17842 9437 1 13 . 1 1 42 42 GLY N N 43 109.883 109.883 106.808 3.075 17842 9438 1 13 . 1 1 42 42 GLY C C 43 172.317 172.317 172.260 0.057 17842 9439 1 13 . 1 1 42 42 GLY CA C 43 44.176 44.176 45.441 -1.265 17842 9440 1 13 . 1 1 42 42 GLY H H 43 8.892 8.892 8.811 0.081 17842 9441 1 13 . 1 1 43 43 ILE N N 44 118.005 118.005 119.321 -1.316 17842 9442 1 13 . 1 1 43 43 ILE C C 44 173.071 173.071 174.283 -1.212 17842 9443 1 13 . 1 1 43 43 ILE CA C 44 58.606 58.606 60.379 -1.773 17842 9444 1 13 . 1 1 43 43 ILE CB C 44 42.130 42.130 42.085 0.045 17842 9445 1 13 . 1 1 43 43 ILE H H 44 8.879 8.879 7.905 0.974 17842 9446 1 13 . 1 1 44 44 ARG N N 45 120.855 120.855 121.970 -1.115 17842 9447 1 13 . 1 1 44 44 ARG C C 45 174.942 174.942 174.596 0.346 17842 9448 1 13 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.570 -1.681 17842 9449 1 13 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.471 -0.519 17842 9450 1 13 . 1 1 44 44 ARG H H 45 8.708 8.708 9.116 -0.408 17842 9451 1 13 . 1 1 45 45 ALA N N 46 119.127 119.127 128.119 -8.992 17842 9452 1 13 . 1 1 45 45 ALA C C 46 175.693 175.693 175.214 0.479 17842 9453 1 13 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.154 -1.534 17842 9454 1 13 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.791 -0.010 17842 9455 1 13 . 1 1 45 45 ALA H H 46 8.419 8.419 8.328 0.091 17842 9456 1 13 . 1 1 46 46 GLY N N 47 107.350 107.350 110.312 -2.962 17842 9457 1 13 . 1 1 46 46 GLY C C 47 171.353 171.353 172.256 -0.903 17842 9458 1 13 . 1 1 46 46 GLY CA C 47 45.630 45.630 45.985 -0.355 17842 9459 1 13 . 1 1 46 46 GLY H H 47 7.819 7.819 9.330 -1.511 17842 9460 1 13 . 1 1 47 47 GLN N N 48 118.061 118.061 119.713 -1.652 17842 9461 1 13 . 1 1 47 47 GLN C C 48 173.671 173.671 173.838 -0.167 17842 9462 1 13 . 1 1 47 47 GLN CA C 48 54.365 54.365 55.282 -0.917 17842 9463 1 13 . 1 1 47 47 GLN CB C 48 32.912 32.912 32.990 -0.078 17842 9464 1 13 . 1 1 47 47 GLN H H 48 8.483 8.483 8.328 0.155 17842 9465 1 13 . 1 1 48 48 GLN N N 49 122.691 122.691 123.125 -0.434 17842 9466 1 13 . 1 1 48 48 GLN C C 49 173.291 173.291 174.668 -1.377 17842 9467 1 13 . 1 1 48 48 GLN CA C 49 54.593 54.593 55.713 -1.120 17842 9468 1 13 . 1 1 48 48 GLN CB C 49 30.750 30.750 32.120 -1.370 17842 9469 1 13 . 1 1 48 48 GLN H H 49 9.319 9.319 9.092 0.227 17842 9470 1 13 . 1 1 49 49 PHE N N 50 126.379 126.379 120.196 6.183 17842 9471 1 13 . 1 1 49 49 PHE C C 50 175.918 175.918 176.071 -0.153 17842 9472 1 13 . 1 1 49 49 PHE CA C 50 55.013 55.013 56.688 -1.675 17842 9473 1 13 . 1 1 49 49 PHE CB C 50 39.974 39.974 42.982 -3.008 17842 9474 1 13 . 1 1 49 49 PHE H H 50 8.781 8.781 9.130 -0.349 17842 9475 1 13 . 1 1 50 50 GLU N N 51 121.087 121.087 120.436 0.651 17842 9476 1 13 . 1 1 50 50 GLU C C 51 178.452 178.452 176.317 2.135 17842 9477 1 13 . 1 1 50 50 GLU CA C 51 60.435 60.435 58.773 1.662 17842 9478 1 13 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.534 -0.848 17842 9479 1 13 . 1 1 50 50 GLU H H 51 8.975 8.975 8.298 0.677 17842 9480 1 13 . 1 1 51 51 GLN N N 52 111.198 111.198 119.594 -8.396 17842 9481 1 13 . 1 1 51 51 GLN C C 52 176.031 176.031 174.879 1.152 17842 9482 1 13 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.088 0.748 17842 9483 1 13 . 1 1 51 51 GLN CB C 52 28.617 28.617 29.332 -0.715 17842 9484 1 13 . 1 1 51 51 GLN H H 52 7.955 7.955 8.433 -0.478 17842 9485 1 13 . 1 1 52 52 GLY N N 53 110.800 110.800 106.834 3.966 17842 9486 1 13 . 1 1 52 52 GLY C C 53 169.076 169.076 171.983 -2.907 17842 9487 1 13 . 1 1 52 52 GLY CA C 53 45.303 45.303 46.061 -0.758 17842 9488 1 13 . 1 1 52 52 GLY H H 53 6.696 6.696 7.519 -0.823 17842 9489 1 13 . 1 1 53 53 ARG N N 54 111.857 111.857 119.259 -7.402 17842 9490 1 13 . 1 1 53 53 ARG C C 54 172.397 172.397 173.601 -1.204 17842 9491 1 13 . 1 1 53 53 ARG CA C 54 54.227 54.227 55.821 -1.594 17842 9492 1 13 . 1 1 53 53 ARG CB C 54 31.755 31.755 35.026 -3.271 17842 9493 1 13 . 1 1 53 53 ARG H H 54 8.216 8.216 9.262 -1.046 17842 9494 1 13 . 1 1 54 54 TYR N N 55 116.379 116.379 125.736 -9.357 17842 9495 1 13 . 1 1 54 54 TYR C C 55 175.461 175.461 174.386 1.075 17842 9496 1 13 . 1 1 54 54 TYR CA C 55 55.296 55.296 55.156 0.140 17842 9497 1 13 . 1 1 54 54 TYR CB C 55 41.539 41.539 43.162 -1.623 17842 9498 1 13 . 1 1 54 54 TYR H H 55 8.477 8.477 9.357 -0.880 17842 9499 1 13 . 1 1 55 55 TYR N N 56 114.651 114.651 117.994 -3.343 17842 9500 1 13 . 1 1 55 55 TYR C C 56 173.431 173.431 172.508 0.923 17842 9501 1 13 . 1 1 55 55 TYR CA C 56 55.886 55.886 56.935 -1.049 17842 9502 1 13 . 1 1 55 55 TYR CB C 56 37.595 37.595 38.909 -1.314 17842 9503 1 13 . 1 1 55 55 TYR H H 56 8.221 8.221 8.008 0.213 17842 9504 1 13 . 1 1 56 56 ALA N N 57 125.460 125.460 125.832 -0.372 17842 9505 1 13 . 1 1 56 56 ALA C C 57 175.737 175.737 176.295 -0.558 17842 9506 1 13 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.197 -1.050 17842 9507 1 13 . 1 1 56 56 ALA CB C 57 20.777 20.777 20.881 -0.103 17842 9508 1 13 . 1 1 56 56 ALA H H 57 9.034 9.034 8.087 0.947 17842 9509 1 13 . 1 1 57 57 THR N N 58 116.923 116.923 112.202 4.721 17842 9510 1 13 . 1 1 57 57 THR C C 58 173.462 173.462 173.633 -0.171 17842 9511 1 13 . 1 1 57 57 THR CA C 58 61.458 61.458 59.824 1.634 17842 9512 1 13 . 1 1 57 57 THR CB C 58 71.683 71.683 70.658 1.025 17842 9513 1 13 . 1 1 57 57 THR H H 58 8.907 8.907 8.575 0.332 17842 9514 1 13 . 1 1 58 58 TYR N N 59 126.784 126.784 125.245 1.539 17842 9515 1 13 . 1 1 58 58 TYR C C 59 173.954 173.954 175.577 -1.623 17842 9516 1 13 . 1 1 58 58 TYR CA C 59 55.682 55.682 57.100 -1.418 17842 9517 1 13 . 1 1 58 58 TYR CB C 59 41.320 41.320 38.426 2.894 17842 9518 1 13 . 1 1 58 58 TYR H H 59 8.974 8.974 8.204 0.770 17842 9519 1 13 . 1 1 59 59 GLU N N 60 124.211 124.211 122.361 1.850 17842 9520 1 13 . 1 1 59 59 GLU C C 60 173.989 173.989 175.502 -1.513 17842 9521 1 13 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.456 -1.532 17842 9522 1 13 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.563 0.179 17842 9523 1 13 . 1 1 59 59 GLU H H 60 8.049 8.049 8.527 -0.478 17842 9524 1 13 . 1 1 60 60 ASN N N 61 118.358 118.358 116.156 2.202 17842 9525 1 13 . 1 1 60 60 ASN C C 61 173.609 173.609 173.441 0.168 17842 9526 1 13 . 1 1 60 60 ASN CA C 61 52.281 52.281 52.984 -0.703 17842 9527 1 13 . 1 1 60 60 ASN H H 61 8.155 8.155 8.235 -0.080 17842 9528 1 13 . 1 1 61 61 ILE C C 62 174.902 174.902 175.032 -0.130 17842 9529 1 13 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.518 0.462 17842 9530 1 13 . 1 1 61 61 ILE CB C 62 40.772 40.772 39.771 1.001 17842 9531 1 13 . 1 1 62 62 SER N N 63 121.368 121.368 124.214 -2.846 17842 9532 1 13 . 1 1 62 62 SER C C 63 173.027 173.027 174.153 -1.126 17842 9533 1 13 . 1 1 62 62 SER CA C 63 57.295 57.295 58.050 -0.755 17842 9534 1 13 . 1 1 62 62 SER CB C 63 64.306 64.306 63.658 0.648 17842 9535 1 13 . 1 1 62 62 SER H H 63 8.339 8.339 8.690 -0.351 17842 9536 1 13 . 1 1 63 63 ASP N N 64 124.300 124.300 126.352 -2.052 17842 9537 1 13 . 1 1 63 63 ASP C C 64 176.570 176.570 176.228 0.342 17842 9538 1 13 . 1 1 63 63 ASP CA C 64 53.291 53.291 54.846 -1.556 17842 9539 1 13 . 1 1 63 63 ASP CB C 64 42.484 42.484 41.968 0.516 17842 9540 1 13 . 1 1 63 63 ASP H H 64 8.596 8.596 8.681 -0.085 17842 9541 1 13 . 1 1 64 64 THR N N 65 116.756 116.756 113.603 3.153 17842 9542 1 13 . 1 1 64 64 THR C C 65 175.975 175.975 174.416 1.559 17842 9543 1 13 . 1 1 64 64 THR CA C 65 61.608 61.608 62.329 -0.721 17842 9544 1 13 . 1 1 64 64 THR CB C 65 68.856 68.856 68.311 0.545 17842 9545 1 13 . 1 1 64 64 THR H H 65 8.581 8.581 8.193 0.388 17842 9546 1 13 . 1 1 65 65 SER N N 66 119.276 119.276 120.755 -1.479 17842 9547 1 13 . 1 1 65 65 SER CA C 66 59.728 59.728 60.475 -0.747 17842 9548 1 13 . 1 1 65 65 SER CB C 66 63.514 63.514 63.521 -0.007 17842 9549 1 13 . 1 1 65 65 SER H H 66 8.492 8.492 8.352 0.140 17842 9550 1 13 . 1 1 66 66 SER C C 67 175.122 175.122 175.294 -0.172 17842 9551 1 13 . 1 1 66 66 SER CA C 67 58.554 58.554 58.020 0.534 17842 9552 1 13 . 1 1 67 67 GLY N N 68 110.266 110.266 111.235 -0.969 17842 9553 1 13 . 1 1 67 67 GLY C C 68 173.832 173.832 174.098 -0.266 17842 9554 1 13 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.710 0.497 17842 9555 1 13 . 1 1 67 67 GLY H H 68 8.184 8.184 8.205 -0.021 17842 9556 1 13 . 1 1 68 68 ASN N N 69 118.584 118.584 120.312 -1.728 17842 9557 1 13 . 1 1 68 68 ASN C C 69 174.239 174.239 174.494 -0.255 17842 9558 1 13 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.575 0.155 17842 9559 1 13 . 1 1 68 68 ASN CB C 69 38.938 38.938 40.171 -1.233 17842 9560 1 13 . 1 1 68 68 ASN H H 69 7.972 7.972 8.422 -0.450 17842 9561 1 13 . 1 1 72 72 GLN C C 73 173.610 173.610 174.153 -0.543 17842 9562 1 13 . 1 1 72 72 GLN CA C 73 53.449 53.449 54.855 -1.405 17842 9563 1 13 . 1 1 73 73 GLN N N 74 123.659 123.659 119.012 4.647 17842 9564 1 13 . 1 1 73 73 GLN C C 74 173.276 173.276 173.347 -0.071 17842 9565 1 13 . 1 1 73 73 GLN CA C 74 53.544 53.544 56.214 -2.670 17842 9566 1 13 . 1 1 73 73 GLN CB C 74 34.344 34.344 33.558 0.786 17842 9567 1 13 . 1 1 73 73 GLN H H 74 8.697 8.697 8.202 0.495 17842 9568 1 13 . 1 1 74 74 ASN N N 75 118.720 118.720 122.943 -4.223 17842 9569 1 13 . 1 1 74 74 ASN C C 75 173.733 173.733 173.350 0.383 17842 9570 1 13 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.762 -2.493 17842 9571 1 13 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.190 -1.120 17842 9572 1 13 . 1 1 74 74 ASN H H 75 8.295 8.295 8.349 -0.054 17842 9573 1 13 . 1 1 75 75 LEU N N 76 124.353 124.353 126.044 -1.691 17842 9574 1 13 . 1 1 75 75 LEU C C 76 174.267 174.267 174.396 -0.129 17842 9575 1 13 . 1 1 75 75 LEU CA C 76 53.916 53.916 53.424 0.492 17842 9576 1 13 . 1 1 75 75 LEU CB C 76 44.633 44.633 43.713 0.920 17842 9577 1 13 . 1 1 75 75 LEU H H 76 8.847 8.847 8.901 -0.054 17842 9578 1 13 . 1 1 76 76 LEU N N 77 124.437 124.437 126.250 -1.813 17842 9579 1 13 . 1 1 76 76 LEU C C 77 175.188 175.188 174.790 0.398 17842 9580 1 13 . 1 1 76 76 LEU CA C 77 52.934 52.934 53.819 -0.885 17842 9581 1 13 . 1 1 76 76 LEU CB C 77 45.115 45.115 46.575 -1.460 17842 9582 1 13 . 1 1 76 76 LEU H H 77 9.222 9.222 7.819 1.403 17842 9583 1 13 . 1 1 77 77 GLY N N 78 107.288 107.288 110.765 -3.477 17842 9584 1 13 . 1 1 77 77 GLY C C 78 171.733 171.733 173.431 -1.698 17842 9585 1 13 . 1 1 77 77 GLY CA C 78 44.160 44.160 44.198 -0.038 17842 9586 1 13 . 1 1 77 77 GLY H H 78 9.132 9.132 8.425 0.707 17842 9587 1 13 . 1 1 78 78 SER N N 79 117.437 117.437 122.881 -5.444 17842 9588 1 13 . 1 1 78 78 SER C C 79 171.279 171.279 173.176 -1.897 17842 9589 1 13 . 1 1 78 78 SER CA C 79 57.272 57.272 57.065 0.207 17842 9590 1 13 . 1 1 78 78 SER CB C 79 65.596 65.596 64.452 1.144 17842 9591 1 13 . 1 1 78 78 SER H H 79 8.210 8.210 8.101 0.109 17842 9592 1 13 . 1 1 79 79 TYR N N 80 122.901 122.901 122.020 0.881 17842 9593 1 13 . 1 1 79 79 TYR C C 80 173.757 173.757 173.828 -0.071 17842 9594 1 13 . 1 1 79 79 TYR CA C 80 56.243 56.243 55.388 0.855 17842 9595 1 13 . 1 1 79 79 TYR CB C 80 42.570 42.570 39.870 2.700 17842 9596 1 13 . 1 1 79 79 TYR H H 80 8.092 8.092 8.669 -0.577 17842 9597 1 13 . 1 1 80 80 ASP N N 81 122.808 122.808 124.530 -1.722 17842 9598 1 13 . 1 1 80 80 ASP C C 81 173.607 173.607 174.117 -0.510 17842 9599 1 13 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.963 -0.298 17842 9600 1 13 . 1 1 80 80 ASP CB C 81 45.787 45.787 46.091 -0.304 17842 9601 1 13 . 1 1 80 80 ASP H H 81 8.268 8.268 8.951 -0.683 17842 9602 1 13 . 1 1 81 81 ALA N N 82 121.201 121.201 121.972 -0.771 17842 9603 1 13 . 1 1 81 81 ALA C C 82 177.094 177.094 176.485 0.609 17842 9604 1 13 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.888 -1.143 17842 9605 1 13 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.422 1.089 17842 9606 1 13 . 1 1 81 81 ALA H H 82 8.931 8.931 8.220 0.711 17842 9607 1 13 . 1 1 82 82 PHE N N 83 116.305 116.305 122.780 -6.475 17842 9608 1 13 . 1 1 82 82 PHE C C 83 176.299 176.299 174.540 1.759 17842 9609 1 13 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.970 -3.306 17842 9610 1 13 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.075 1.046 17842 9611 1 13 . 1 1 82 82 PHE H H 83 7.404 7.404 8.470 -1.066 17842 9612 1 13 . 1 1 83 83 LEU N N 84 122.208 122.208 120.690 1.518 17842 9613 1 13 . 1 1 83 83 LEU C C 84 173.599 173.599 174.655 -1.056 17842 9614 1 13 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.706 -0.832 17842 9615 1 13 . 1 1 83 83 LEU CB C 84 45.366 45.366 45.763 -0.397 17842 9616 1 13 . 1 1 83 83 LEU H H 84 9.049 9.049 8.047 1.002 17842 9617 1 13 . 1 1 84 84 PRO C C 85 175.877 175.877 176.329 -0.452 17842 9618 1 13 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.969 -0.928 17842 9619 1 13 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.390 0.096 17842 9620 1 13 . 1 1 85 85 ILE N N 86 119.588 119.588 125.204 -5.616 17842 9621 1 13 . 1 1 85 85 ILE C C 86 175.749 175.749 174.653 1.096 17842 9622 1 13 . 1 1 85 85 ILE CA C 86 59.267 59.267 60.473 -1.206 17842 9623 1 13 . 1 1 85 85 ILE CB C 86 39.835 39.835 40.220 -0.385 17842 9624 1 13 . 1 1 85 85 ILE H H 86 8.205 8.205 8.013 0.192 17842 9625 1 13 . 1 1 86 86 GLY N N 87 112.396 112.396 117.371 -4.975 17842 9626 1 13 . 1 1 86 86 GLY C C 87 174.218 174.218 173.757 0.461 17842 9627 1 13 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.343 0.349 17842 9628 1 13 . 1 1 86 86 GLY H H 87 8.364 8.364 8.492 -0.128 17842 9629 1 13 . 1 1 87 87 ASP N N 88 122.109 122.109 123.175 -1.066 17842 9630 1 13 . 1 1 87 87 ASP C C 88 175.839 175.839 175.998 -0.159 17842 9631 1 13 . 1 1 87 87 ASP CA C 88 53.535 53.535 53.507 0.028 17842 9632 1 13 . 1 1 87 87 ASP CB C 88 41.132 41.132 40.938 0.194 17842 9633 1 13 . 1 1 87 87 ASP H H 88 8.249 8.249 8.076 0.173 17842 9634 1 13 . 1 1 88 88 ASN N N 89 116.308 116.308 115.152 1.156 17842 9635 1 13 . 1 1 88 88 ASN C C 89 175.100 175.100 174.198 0.902 17842 9636 1 13 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.436 -0.514 17842 9637 1 13 . 1 1 88 88 ASN CB C 89 38.183 38.183 37.724 0.459 17842 9638 1 13 . 1 1 88 88 ASN H H 89 8.449 8.449 8.718 -0.269 17842 9639 1 13 . 1 1 89 89 ASN N N 90 115.987 115.987 113.459 2.528 17842 9640 1 13 . 1 1 89 89 ASN C C 90 173.909 173.909 175.470 -1.561 17842 9641 1 13 . 1 1 89 89 ASN CA C 90 54.386 54.386 53.691 0.695 17842 9642 1 13 . 1 1 89 89 ASN CB C 90 37.657 37.657 39.868 -2.211 17842 9643 1 13 . 1 1 89 89 ASN H H 90 8.477 8.477 8.147 0.330 17842 9644 1 13 . 1 1 90 90 THR N N 91 116.991 116.991 114.392 2.599 17842 9645 1 13 . 1 1 90 90 THR C C 91 173.763 173.763 174.104 -0.341 17842 9646 1 13 . 1 1 90 90 THR CA C 91 62.170 62.170 63.100 -0.930 17842 9647 1 13 . 1 1 90 90 THR CB C 91 68.706 68.706 69.367 -0.661 17842 9648 1 13 . 1 1 90 90 THR H H 91 7.600 7.600 8.037 -0.437 17842 9649 1 13 . 1 1 91 91 LYS N N 92 124.349 124.349 123.489 0.860 17842 9650 1 13 . 1 1 91 91 LYS C C 92 175.815 175.815 176.483 -0.668 17842 9651 1 13 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.353 -0.948 17842 9652 1 13 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.719 0.779 17842 9653 1 13 . 1 1 91 91 LYS H H 92 9.249 9.249 8.599 0.650 17842 9654 1 13 . 1 1 92 92 LEU N N 93 123.462 123.462 128.982 -5.520 17842 9655 1 13 . 1 1 92 92 LEU C C 93 176.260 176.260 175.670 0.590 17842 9656 1 13 . 1 1 92 92 LEU CA C 93 53.829 53.829 54.844 -1.015 17842 9657 1 13 . 1 1 92 92 LEU CB C 93 43.614 43.614 42.255 1.359 17842 9658 1 13 . 1 1 92 92 LEU H H 93 8.650 8.650 8.087 0.563 17842 9659 1 13 . 1 1 93 93 PHE N N 94 119.497 119.497 123.418 -3.921 17842 9660 1 13 . 1 1 93 93 PHE C C 94 173.154 173.154 175.085 -1.931 17842 9661 1 13 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.612 0.524 17842 9662 1 13 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.420 1.673 17842 9663 1 13 . 1 1 93 93 PHE H H 94 8.485 8.485 7.819 0.666 17842 9664 1 13 . 1 1 94 94 GLY N N 95 105.945 105.945 106.920 -0.975 17842 9665 1 13 . 1 1 94 94 GLY C C 95 171.815 171.815 172.728 -0.913 17842 9666 1 13 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.433 -1.051 17842 9667 1 13 . 1 1 94 94 GLY H H 95 8.256 8.256 8.213 0.043 17842 9668 1 13 . 1 1 95 95 GLY N N 96 110.432 110.432 110.654 -0.222 17842 9669 1 13 . 1 1 95 95 GLY C C 96 171.826 171.826 171.832 -0.006 17842 9670 1 13 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.688 1.198 17842 9671 1 13 . 1 1 95 95 GLY H H 96 9.005 9.005 8.975 0.030 17842 9672 1 13 . 1 1 96 96 ALA N N 97 117.509 117.509 120.892 -3.383 17842 9673 1 13 . 1 1 96 96 ALA C C 97 176.928 176.928 174.817 2.111 17842 9674 1 13 . 1 1 96 96 ALA CA C 97 49.401 49.401 49.916 -0.515 17842 9675 1 13 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.262 1.163 17842 9676 1 13 . 1 1 96 96 ALA H H 97 8.039 8.039 7.476 0.563 17842 9677 1 13 . 1 1 97 97 THR N N 98 118.891 118.891 110.545 8.346 17842 9678 1 13 . 1 1 97 97 THR C C 98 172.492 172.492 173.553 -1.061 17842 9679 1 13 . 1 1 97 97 THR CA C 98 61.730 61.730 60.594 1.136 17842 9680 1 13 . 1 1 97 97 THR CB C 98 73.046 73.046 72.037 1.009 17842 9681 1 13 . 1 1 97 97 THR H H 98 8.379 8.379 7.971 0.408 17842 9682 1 13 . 1 1 98 98 LEU N N 99 124.958 124.958 123.194 1.764 17842 9683 1 13 . 1 1 98 98 LEU C C 99 175.753 175.753 175.837 -0.084 17842 9684 1 13 . 1 1 98 98 LEU CA C 99 53.474 53.474 55.157 -1.683 17842 9685 1 13 . 1 1 98 98 LEU CB C 99 47.243 47.243 46.499 0.744 17842 9686 1 13 . 1 1 98 98 LEU H H 99 8.880 8.880 9.093 -0.213 17842 9687 1 13 . 1 1 99 99 GLY N N 100 106.645 106.645 111.346 -4.701 17842 9688 1 13 . 1 1 99 99 GLY C C 100 169.886 169.886 172.021 -2.135 17842 9689 1 13 . 1 1 99 99 GLY CA C 100 46.631 46.631 45.397 1.234 17842 9690 1 13 . 1 1 99 99 GLY H H 100 8.635 8.635 8.097 0.538 17842 9691 1 13 . 1 1 100 100 LEU N N 101 121.823 121.823 121.215 0.608 17842 9692 1 13 . 1 1 100 100 LEU C C 101 174.876 174.876 174.445 0.431 17842 9693 1 13 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.581 -1.510 17842 9694 1 13 . 1 1 100 100 LEU CB C 101 46.646 46.646 46.247 0.399 17842 9695 1 13 . 1 1 100 100 LEU H H 101 9.088 9.088 8.621 0.467 17842 9696 1 13 . 1 1 101 101 VAL N N 102 118.857 118.857 121.778 -2.921 17842 9697 1 13 . 1 1 101 101 VAL C C 102 174.015 174.015 174.377 -0.362 17842 9698 1 13 . 1 1 101 101 VAL CA C 102 59.666 59.666 59.930 -0.264 17842 9699 1 13 . 1 1 101 101 VAL CB C 102 35.406 35.406 33.649 1.757 17842 9700 1 13 . 1 1 101 101 VAL H H 102 8.291 8.291 8.506 -0.215 17842 9701 1 13 . 1 1 102 102 LYS N N 103 126.552 126.552 124.758 1.794 17842 9702 1 13 . 1 1 102 102 LYS C C 103 174.712 174.712 174.596 0.116 17842 9703 1 13 . 1 1 102 102 LYS CA C 103 54.433 54.433 55.727 -1.294 17842 9704 1 13 . 1 1 102 102 LYS CB C 103 35.733 35.733 36.622 -0.889 17842 9705 1 13 . 1 1 102 102 LYS H H 103 9.141 9.141 8.193 0.948 17842 9706 1 13 . 1 1 103 103 LEU N N 104 129.605 129.605 121.944 7.661 17842 9707 1 13 . 1 1 103 103 LEU C C 104 175.344 175.344 174.840 0.504 17842 9708 1 13 . 1 1 103 103 LEU CA C 104 53.492 53.492 54.335 -0.843 17842 9709 1 13 . 1 1 103 103 LEU CB C 104 45.004 45.004 46.761 -1.757 17842 9710 1 13 . 1 1 103 103 LEU H H 104 8.921 8.921 7.922 0.999 17842 9711 1 13 . 1 1 104 104 GLU C C 105 174.715 174.715 175.201 -0.486 17842 9712 1 13 . 1 1 104 104 GLU CA C 105 54.626 54.626 54.799 -0.173 17842 9713 1 13 . 1 1 104 104 GLU CB C 105 33.055 33.055 33.576 -0.521 17842 9714 1 13 . 1 1 105 105 GLN N N 106 121.991 121.991 118.836 3.155 17842 9715 1 13 . 1 1 105 105 GLN C C 106 175.002 175.002 174.336 0.666 17842 9716 1 13 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.050 -0.371 17842 9717 1 13 . 1 1 105 105 GLN CB C 106 30.252 30.252 31.979 -1.727 17842 9718 1 13 . 1 1 105 105 GLN H H 106 8.532 8.532 8.299 0.233 17842 9719 1 13 . 1 1 106 106 ASP N N 107 123.884 123.884 119.723 4.161 17842 9720 1 13 . 1 1 106 106 ASP C C 107 176.352 176.352 176.202 0.150 17842 9721 1 13 . 1 1 106 106 ASP CA C 107 54.108 54.108 53.263 0.845 17842 9722 1 13 . 1 1 106 106 ASP CB C 107 41.448 41.448 41.563 -0.115 17842 9723 1 13 . 1 1 106 106 ASP H H 107 8.414 8.414 8.477 -0.063 17842 9724 1 13 . 1 1 107 107 GLY N N 108 110.294 110.294 108.382 1.912 17842 9725 1 13 . 1 1 107 107 GLY C C 108 174.111 174.111 174.580 -0.469 17842 9726 1 13 . 1 1 107 107 GLY CA C 108 44.992 44.992 44.677 0.315 17842 9727 1 13 . 1 1 107 107 GLY H H 108 8.226 8.226 7.902 0.324 17842 9728 1 13 . 1 1 108 108 LYS N N 109 121.045 121.045 121.268 -0.223 17842 9729 1 13 . 1 1 108 108 LYS C C 109 176.988 176.988 175.850 1.138 17842 9730 1 13 . 1 1 108 108 LYS CA C 109 56.243 56.243 55.787 0.456 17842 9731 1 13 . 1 1 108 108 LYS CB C 109 31.957 31.957 30.910 1.047 17842 9732 1 13 . 1 1 108 108 LYS H H 109 8.130 8.130 8.357 -0.227 17842 9733 1 13 . 1 1 109 109 GLY N N 110 109.975 109.975 110.666 -0.691 17842 9734 1 13 . 1 1 109 109 GLY C C 110 173.856 173.856 172.387 1.469 17842 9735 1 13 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.810 0.159 17842 9736 1 13 . 1 1 109 109 GLY H H 110 8.313 8.313 7.973 0.340 17842 9737 1 13 . 1 1 110 110 PHE N N 111 119.873 119.873 121.423 -1.550 17842 9738 1 13 . 1 1 110 110 PHE C C 111 175.195 175.195 175.552 -0.357 17842 9739 1 13 . 1 1 110 110 PHE CA C 111 57.334 57.334 58.080 -0.746 17842 9740 1 13 . 1 1 110 110 PHE CB C 111 39.311 39.311 39.120 0.191 17842 9741 1 13 . 1 1 110 110 PHE H H 111 7.848 7.848 8.302 -0.454 17842 9742 1 13 . 1 1 111 111 LYS N N 112 122.900 122.900 124.555 -1.655 17842 9743 1 13 . 1 1 111 111 LYS C C 112 175.898 175.898 176.431 -0.533 17842 9744 1 13 . 1 1 111 111 LYS CA C 112 55.928 55.928 55.972 -0.044 17842 9745 1 13 . 1 1 111 111 LYS CB C 112 32.741 32.741 33.635 -0.894 17842 9746 1 13 . 1 1 111 111 LYS H H 112 8.073 8.073 8.414 -0.341 17842 9747 1 13 . 1 1 112 112 ARG N N 113 123.302 123.302 122.508 0.794 17842 9748 1 13 . 1 1 112 112 ARG C C 113 175.762 175.762 175.279 0.483 17842 9749 1 13 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.395 -0.518 17842 9750 1 13 . 1 1 112 112 ARG CB C 113 30.678 30.678 31.328 -0.650 17842 9751 1 13 . 1 1 112 112 ARG H H 113 8.277 8.277 8.613 -0.336 17842 9752 1 13 . 1 1 113 113 ASP N N 114 122.193 122.193 119.046 3.147 17842 9753 1 13 . 1 1 113 113 ASP C C 114 175.875 175.875 176.213 -0.338 17842 9754 1 13 . 1 1 113 113 ASP CA C 114 54.219 54.219 53.679 0.540 17842 9755 1 13 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.249 0.030 17842 9756 1 13 . 1 1 113 113 ASP H H 114 8.300 8.300 8.136 0.164 17842 9757 1 13 . 1 1 114 114 SER N N 115 114.844 114.844 121.629 -6.785 17842 9758 1 13 . 1 1 114 114 SER C C 115 173.567 173.567 175.049 -1.482 17842 9759 1 13 . 1 1 114 114 SER CA C 115 57.538 57.538 59.490 -1.952 17842 9760 1 13 . 1 1 114 114 SER CB C 115 64.306 64.306 64.032 0.274 17842 9761 1 13 . 1 1 114 114 SER H H 115 8.071 8.071 8.939 -0.868 17842 9762 1 13 . 1 1 115 115 ASP N N 116 122.371 122.371 121.336 1.035 17842 9763 1 13 . 1 1 115 115 ASP C C 116 175.096 175.096 174.325 0.771 17842 9764 1 13 . 1 1 115 115 ASP CA C 116 53.960 53.960 53.789 0.171 17842 9765 1 13 . 1 1 115 115 ASP CB C 116 42.394 42.394 41.921 0.473 17842 9766 1 13 . 1 1 115 115 ASP H H 116 8.400 8.400 7.964 0.436 17842 9767 1 13 . 1 1 116 116 VAL N N 117 120.462 120.462 121.152 -0.690 17842 9768 1 13 . 1 1 116 116 VAL C C 117 175.349 175.349 175.495 -0.146 17842 9769 1 13 . 1 1 116 116 VAL CA C 117 60.785 60.785 60.160 0.625 17842 9770 1 13 . 1 1 116 116 VAL CB C 117 33.507 33.507 33.554 -0.047 17842 9771 1 13 . 1 1 116 116 VAL H H 117 8.014 8.014 7.866 0.148 17842 9772 1 13 . 1 1 117 117 GLY N N 118 112.807 112.807 114.347 -1.540 17842 9773 1 13 . 1 1 117 117 GLY C C 118 172.079 172.079 171.884 0.195 17842 9774 1 13 . 1 1 117 117 GLY CA C 118 43.255 43.255 45.200 -1.945 17842 9775 1 13 . 1 1 117 117 GLY H H 118 8.871 8.871 8.125 0.746 17842 9776 1 13 . 1 1 118 118 TYR N N 119 117.704 117.704 120.796 -3.092 17842 9777 1 13 . 1 1 118 118 TYR C C 119 175.024 175.024 174.704 0.320 17842 9778 1 13 . 1 1 118 118 TYR CA C 119 55.968 55.968 58.561 -2.593 17842 9779 1 13 . 1 1 118 118 TYR CB C 119 41.089 41.089 40.483 0.606 17842 9780 1 13 . 1 1 118 118 TYR H H 119 8.406 8.406 8.025 0.381 17842 9781 1 13 . 1 1 119 119 ALA N N 120 122.050 122.050 127.562 -5.512 17842 9782 1 13 . 1 1 119 119 ALA C C 120 175.218 175.218 175.694 -0.476 17842 9783 1 13 . 1 1 119 119 ALA CA C 120 49.661 49.661 50.431 -0.770 17842 9784 1 13 . 1 1 119 119 ALA CB C 120 23.187 23.187 20.760 2.427 17842 9785 1 13 . 1 1 119 119 ALA H H 120 8.605 8.605 7.789 0.816 17842 9786 1 13 . 1 1 120 120 ALA N N 121 119.839 119.839 125.495 -5.656 17842 9787 1 13 . 1 1 120 120 ALA C C 121 175.881 175.881 175.686 0.195 17842 9788 1 13 . 1 1 120 120 ALA CA C 121 50.340 50.340 51.891 -1.551 17842 9789 1 13 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.936 0.529 17842 9790 1 13 . 1 1 120 120 ALA H H 121 8.476 8.476 8.010 0.466 17842 9791 1 13 . 1 1 121 121 GLY N N 122 107.807 107.807 108.817 -1.010 17842 9792 1 13 . 1 1 121 121 GLY C C 122 171.191 171.191 172.159 -0.968 17842 9793 1 13 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.441 0.624 17842 9794 1 13 . 1 1 121 121 GLY H H 122 8.931 8.931 8.272 0.659 17842 9795 1 13 . 1 1 122 122 LEU N N 123 118.400 118.400 119.237 -0.837 17842 9796 1 13 . 1 1 122 122 LEU C C 123 174.684 174.684 175.404 -0.720 17842 9797 1 13 . 1 1 122 122 LEU CA C 123 53.227 53.227 53.846 -0.619 17842 9798 1 13 . 1 1 122 122 LEU CB C 123 48.385 48.385 46.595 1.790 17842 9799 1 13 . 1 1 122 122 LEU H H 123 8.351 8.351 8.008 0.343 17842 9800 1 13 . 1 1 123 123 GLN N N 124 113.455 113.455 117.207 -3.752 17842 9801 1 13 . 1 1 123 123 GLN C C 124 173.895 173.895 173.820 0.075 17842 9802 1 13 . 1 1 123 123 GLN CA C 124 54.004 54.004 55.615 -1.611 17842 9803 1 13 . 1 1 123 123 GLN CB C 124 28.135 28.135 34.553 -6.418 17842 9804 1 13 . 1 1 123 123 GLN H H 124 8.159 8.159 8.158 0.001 17842 9805 1 13 . 1 1 124 124 ALA N N 125 118.711 118.711 123.104 -4.393 17842 9806 1 13 . 1 1 124 124 ALA C C 125 174.962 174.962 174.306 0.656 17842 9807 1 13 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.346 -1.550 17842 9808 1 13 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.489 0.517 17842 9809 1 13 . 1 1 124 124 ALA H H 125 8.638 8.638 9.025 -0.387 17842 9810 1 13 . 1 1 125 125 GLY N N 126 103.783 103.783 106.749 -2.966 17842 9811 1 13 . 1 1 125 125 GLY C C 126 170.390 170.390 171.555 -1.165 17842 9812 1 13 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.681 0.729 17842 9813 1 13 . 1 1 125 125 GLY H H 126 7.103 7.103 6.495 0.608 17842 9814 1 13 . 1 1 126 126 ILE N N 127 118.306 118.306 116.108 2.198 17842 9815 1 13 . 1 1 126 126 ILE C C 127 172.353 172.353 173.848 -1.495 17842 9816 1 13 . 1 1 126 126 ILE CA C 127 58.593 58.593 61.049 -2.456 17842 9817 1 13 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.254 0.910 17842 9818 1 13 . 1 1 126 126 ILE H H 127 8.564 8.564 8.401 0.163 17842 9819 1 13 . 1 1 127 127 LEU N N 128 129.339 129.339 128.103 1.236 17842 9820 1 13 . 1 1 127 127 LEU C C 128 173.613 173.613 175.908 -2.295 17842 9821 1 13 . 1 1 127 127 LEU CA C 128 53.528 53.528 53.890 -0.362 17842 9822 1 13 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.883 2.921 17842 9823 1 13 . 1 1 127 127 LEU H H 128 9.236 9.236 8.110 1.127 17842 9824 1 13 . 1 1 128 128 GLN N N 129 126.801 126.801 124.552 2.249 17842 9825 1 13 . 1 1 128 128 GLN C C 129 175.093 175.093 174.890 0.203 17842 9826 1 13 . 1 1 128 128 GLN CA C 129 53.194 53.194 53.224 -0.030 17842 9827 1 13 . 1 1 128 128 GLN CB C 129 30.947 30.947 31.810 -0.863 17842 9828 1 13 . 1 1 128 128 GLN H H 129 9.352 9.352 9.099 0.253 17842 9829 1 13 . 1 1 129 129 GLU N N 130 126.822 126.822 125.250 1.572 17842 9830 1 13 . 1 1 129 129 GLU C C 130 176.651 176.651 175.503 1.148 17842 9831 1 13 . 1 1 129 129 GLU CA C 130 56.181 56.181 56.967 -0.786 17842 9832 1 13 . 1 1 129 129 GLU CB C 130 27.761 27.761 30.467 -2.706 17842 9833 1 13 . 1 1 129 129 GLU H H 130 8.518 8.518 8.975 -0.457 17842 9834 1 13 . 1 1 130 130 LEU N N 131 126.031 126.031 127.271 -1.240 17842 9835 1 13 . 1 1 130 130 LEU C C 131 176.044 176.044 176.323 -0.279 17842 9836 1 13 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.592 -0.417 17842 9837 1 13 . 1 1 130 130 LEU CB C 131 43.855 43.855 44.018 -0.163 17842 9838 1 13 . 1 1 130 130 LEU H H 131 8.708 8.708 8.363 0.345 17842 9839 1 13 . 1 1 131 131 SER N N 132 113.049 113.049 111.734 1.315 17842 9840 1 13 . 1 1 131 131 SER C C 132 174.092 174.092 173.120 0.972 17842 9841 1 13 . 1 1 131 131 SER CA C 132 55.993 55.993 57.570 -1.577 17842 9842 1 13 . 1 1 131 131 SER CB C 132 64.945 64.945 63.831 1.113 17842 9843 1 13 . 1 1 131 131 SER H H 132 8.282 8.282 7.903 0.379 17842 9844 1 13 . 1 1 132 132 LYS C C 133 176.346 176.346 175.321 1.025 17842 9845 1 13 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.559 1.938 17842 9846 1 13 . 1 1 132 132 LYS CB C 133 31.009 31.009 31.239 -0.230 17842 9847 1 13 . 1 1 133 133 ASN N N 134 110.795 110.795 114.406 -3.611 17842 9848 1 13 . 1 1 133 133 ASN C C 134 173.897 173.897 172.828 1.069 17842 9849 1 13 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.886 -0.308 17842 9850 1 13 . 1 1 133 133 ASN CB C 134 40.830 40.830 40.594 0.236 17842 9851 1 13 . 1 1 133 133 ASN H H 134 7.761 7.761 7.959 -0.198 17842 9852 1 13 . 1 1 134 134 ALA N N 135 122.181 122.181 120.868 1.313 17842 9853 1 13 . 1 1 134 134 ALA C C 135 176.250 176.250 175.441 0.809 17842 9854 1 13 . 1 1 134 134 ALA CA C 135 51.157 51.157 50.367 0.790 17842 9855 1 13 . 1 1 134 134 ALA CB C 135 22.133 22.133 20.783 1.350 17842 9856 1 13 . 1 1 134 134 ALA H H 135 7.562 7.562 7.635 -0.073 17842 9857 1 13 . 1 1 135 135 SER N N 136 114.617 114.617 113.405 1.212 17842 9858 1 13 . 1 1 135 135 SER C C 136 172.507 172.507 172.534 -0.027 17842 9859 1 13 . 1 1 135 135 SER CA C 136 56.164 56.164 58.151 -1.987 17842 9860 1 13 . 1 1 135 135 SER CB C 136 66.255 66.255 67.158 -0.903 17842 9861 1 13 . 1 1 135 135 SER H H 136 8.717 8.717 7.485 1.232 17842 9862 1 13 . 1 1 136 136 ILE N N 137 114.495 114.495 121.065 -6.570 17842 9863 1 13 . 1 1 136 136 ILE C C 137 173.136 173.136 173.111 0.025 17842 9864 1 13 . 1 1 136 136 ILE CA C 137 58.420 58.420 59.763 -1.343 17842 9865 1 13 . 1 1 136 136 ILE CB C 137 42.700 42.700 41.583 1.117 17842 9866 1 13 . 1 1 136 136 ILE H H 137 8.592 8.592 8.996 -0.404 17842 9867 1 13 . 1 1 137 137 GLU N N 138 122.016 122.016 127.679 -5.663 17842 9868 1 13 . 1 1 137 137 GLU C C 138 173.792 173.792 174.788 -0.996 17842 9869 1 13 . 1 1 137 137 GLU CA C 138 53.537 53.537 53.214 0.323 17842 9870 1 13 . 1 1 137 137 GLU CB C 138 35.118 35.118 34.635 0.483 17842 9871 1 13 . 1 1 137 137 GLU H H 138 8.902 8.902 9.129 -0.227 17842 9872 1 13 . 1 1 138 138 GLY N N 139 107.847 107.847 106.889 0.958 17842 9873 1 13 . 1 1 138 138 GLY C C 139 171.817 171.817 172.139 -0.322 17842 9874 1 13 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.403 -1.333 17842 9875 1 13 . 1 1 138 138 GLY H H 139 8.485 8.485 7.968 0.517 17842 9876 1 13 . 1 1 139 139 GLY N N 140 108.290 108.290 107.822 0.468 17842 9877 1 13 . 1 1 139 139 GLY C C 140 169.172 169.172 172.313 -3.141 17842 9878 1 13 . 1 1 139 139 GLY CA C 140 45.714 45.714 46.056 -0.342 17842 9879 1 13 . 1 1 139 139 GLY H H 140 7.841 7.841 7.828 0.013 17842 9880 1 13 . 1 1 140 140 TYR N N 141 119.674 119.674 119.207 0.467 17842 9881 1 13 . 1 1 140 140 TYR C C 141 173.643 173.643 174.280 -0.637 17842 9882 1 13 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.764 -1.585 17842 9883 1 13 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.922 -0.778 17842 9884 1 13 . 1 1 140 140 TYR H H 141 8.726 8.726 9.322 -0.596 17842 9885 1 13 . 1 1 141 141 ARG N N 142 125.021 125.021 115.748 9.273 17842 9886 1 13 . 1 1 141 141 ARG C C 142 173.533 173.533 174.018 -0.485 17842 9887 1 13 . 1 1 141 141 ARG CA C 142 53.813 53.813 55.413 -1.600 17842 9888 1 13 . 1 1 141 141 ARG CB C 142 33.239 33.239 33.082 0.157 17842 9889 1 13 . 1 1 141 141 ARG H H 142 8.502 8.502 8.830 -0.328 17842 9890 1 13 . 1 1 142 142 TYR N N 143 128.805 128.805 119.436 9.369 17842 9891 1 13 . 1 1 142 142 TYR C C 143 173.475 173.475 175.533 -2.058 17842 9892 1 13 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.452 -0.023 17842 9893 1 13 . 1 1 142 142 TYR CB C 143 41.642 41.642 41.068 0.574 17842 9894 1 13 . 1 1 142 142 TYR H H 143 8.978 8.978 9.031 -0.053 17842 9895 1 13 . 1 1 143 143 LEU N N 144 125.513 125.513 121.885 3.628 17842 9896 1 13 . 1 1 143 143 LEU C C 144 175.370 175.370 175.306 0.064 17842 9897 1 13 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.057 -1.164 17842 9898 1 13 . 1 1 143 143 LEU CB C 144 45.924 45.924 45.621 0.303 17842 9899 1 13 . 1 1 143 143 LEU H H 144 8.117 8.117 8.885 -0.768 17842 9900 1 13 . 1 1 144 144 ARG N N 145 122.193 122.193 122.002 0.191 17842 9901 1 13 . 1 1 144 144 ARG C C 145 175.452 175.452 173.936 1.516 17842 9902 1 13 . 1 1 144 144 ARG CA C 145 54.077 54.077 55.623 -1.546 17842 9903 1 13 . 1 1 144 144 ARG CB C 145 31.377 31.377 34.773 -3.397 17842 9904 1 13 . 1 1 144 144 ARG H H 145 8.810 8.810 8.266 0.544 17842 9905 1 13 . 1 1 145 145 THR C C 146 172.708 172.708 173.580 -0.872 17842 9906 1 13 . 1 1 145 145 THR CA C 146 59.117 59.117 60.883 -1.766 17842 9907 1 13 . 1 1 145 145 THR CB C 146 70.345 70.345 69.942 0.403 17842 9908 1 13 . 1 1 146 146 ASN N N 147 120.236 120.236 127.065 -6.829 17842 9909 1 13 . 1 1 146 146 ASN C C 147 175.341 175.341 173.719 1.622 17842 9910 1 13 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.361 -1.482 17842 9911 1 13 . 1 1 146 146 ASN CB C 147 38.462 38.462 40.815 -2.353 17842 9912 1 13 . 1 1 146 146 ASN H H 147 8.259 8.259 8.590 -0.331 17842 9913 1 13 . 1 1 147 147 ALA N N 148 124.724 124.724 127.340 -2.616 17842 9914 1 13 . 1 1 147 147 ALA C C 148 176.378 176.378 176.399 -0.021 17842 9915 1 13 . 1 1 147 147 ALA CA C 148 52.179 52.179 52.090 0.089 17842 9916 1 13 . 1 1 147 147 ALA CB C 148 18.626 18.626 18.893 -0.268 17842 9917 1 13 . 1 1 147 147 ALA H H 148 8.256 8.256 8.266 -0.010 17842 9918 1 13 . 1 1 148 148 SER N N 149 115.670 115.670 114.568 1.102 17842 9919 1 13 . 1 1 148 148 SER C C 149 174.123 174.123 174.337 -0.214 17842 9920 1 13 . 1 1 148 148 SER CA C 149 57.281 57.281 58.284 -1.003 17842 9921 1 13 . 1 1 148 148 SER CB C 149 64.685 64.685 63.882 0.803 17842 9922 1 13 . 1 1 148 148 SER H H 149 8.372 8.372 7.789 0.583 17842 9923 1 13 . 1 1 149 149 THR N N 150 115.292 115.292 116.390 -1.098 17842 9924 1 13 . 1 1 149 149 THR C C 150 173.858 173.858 173.450 0.408 17842 9925 1 13 . 1 1 149 149 THR CA C 150 61.189 61.189 62.349 -1.160 17842 9926 1 13 . 1 1 149 149 THR CB C 150 69.105 69.105 69.189 -0.084 17842 9927 1 13 . 1 1 149 149 THR H H 150 8.228 8.228 8.284 -0.056 17842 9928 1 13 . 1 1 150 150 GLU N N 151 123.244 123.244 125.444 -2.200 17842 9929 1 13 . 1 1 150 150 GLU C C 151 176.121 176.121 176.281 -0.160 17842 9930 1 13 . 1 1 150 150 GLU CA C 151 56.002 56.002 56.580 -0.578 17842 9931 1 13 . 1 1 150 150 GLU CB C 151 29.931 29.931 31.103 -1.172 17842 9932 1 13 . 1 1 150 150 GLU H H 151 8.186 8.186 8.582 -0.396 17842 9933 1 13 . 1 1 151 151 MET N N 152 121.600 121.600 121.953 -0.353 17842 9934 1 13 . 1 1 151 151 MET C C 152 175.810 175.810 176.014 -0.204 17842 9935 1 13 . 1 1 151 151 MET CA C 152 55.254 55.254 56.145 -0.891 17842 9936 1 13 . 1 1 151 151 MET CB C 152 33.247 33.247 33.579 -0.332 17842 9937 1 13 . 1 1 151 151 MET H H 152 8.248 8.248 8.423 -0.175 17842 9938 1 13 . 1 1 152 152 THR N N 153 117.486 117.486 115.470 2.016 17842 9939 1 13 . 1 1 152 152 THR C C 153 172.907 172.907 173.534 -0.627 17842 9940 1 13 . 1 1 152 152 THR CA C 153 59.365 59.365 59.242 0.123 17842 9941 1 13 . 1 1 152 152 THR CB C 153 69.366 69.366 69.134 0.232 17842 9942 1 13 . 1 1 152 152 THR H H 153 8.113 8.113 7.895 0.218 17842 9943 1 13 . 1 1 155 155 GLY C C 156 174.620 174.620 173.234 1.386 17842 9944 1 13 . 1 1 155 155 GLY CA C 156 45.280 45.280 44.932 0.348 17842 9945 1 13 . 1 1 156 156 GLY N N 157 109.059 109.059 110.265 -1.206 17842 9946 1 13 . 1 1 156 156 GLY C C 157 173.801 173.801 174.580 -0.779 17842 9947 1 13 . 1 1 156 156 GLY CA C 157 44.929 44.929 46.176 -1.247 17842 9948 1 13 . 1 1 156 156 GLY H H 157 8.175 8.175 8.161 0.014 17842 9949 1 13 . 1 1 157 157 ASN N N 158 118.630 118.630 117.114 1.516 17842 9950 1 13 . 1 1 157 157 ASN C C 158 175.025 175.025 174.257 0.768 17842 9951 1 13 . 1 1 157 157 ASN CA C 158 52.791 52.791 54.186 -1.395 17842 9952 1 13 . 1 1 157 157 ASN CB C 158 38.532 38.532 38.496 0.036 17842 9953 1 13 . 1 1 157 157 ASN H H 158 8.114 8.114 8.374 -0.260 17842 9954 1 13 . 1 1 158 158 LYS N N 159 121.755 121.755 119.649 2.106 17842 9955 1 13 . 1 1 158 158 LYS C C 159 176.361 176.361 175.020 1.341 17842 9956 1 13 . 1 1 158 158 LYS CA C 159 56.472 56.472 55.988 0.484 17842 9957 1 13 . 1 1 158 158 LYS CB C 159 32.403 32.403 34.025 -1.622 17842 9958 1 13 . 1 1 158 158 LYS H H 159 8.169 8.169 7.821 0.348 17842 9959 1 13 . 1 1 159 159 LEU N N 160 123.084 123.084 124.340 -1.256 17842 9960 1 13 . 1 1 159 159 LEU C C 160 177.408 177.408 177.066 0.342 17842 9961 1 13 . 1 1 159 159 LEU CA C 160 55.162 55.162 54.544 0.618 17842 9962 1 13 . 1 1 159 159 LEU CB C 160 42.690 42.690 42.713 -0.023 17842 9963 1 13 . 1 1 159 159 LEU H H 160 8.173 8.173 8.578 -0.405 17842 9964 1 13 . 1 1 160 160 GLY N N 161 109.180 109.180 110.432 -1.252 17842 9965 1 13 . 1 1 160 160 GLY C C 161 173.574 173.574 174.294 -0.720 17842 9966 1 13 . 1 1 160 160 GLY CA C 161 44.877 44.877 44.429 0.448 17842 9967 1 13 . 1 1 160 160 GLY H H 161 8.117 8.117 8.502 -0.385 17842 9968 1 13 . 1 1 161 161 SER N N 162 115.719 115.719 118.773 -3.054 17842 9969 1 13 . 1 1 161 161 SER C C 162 173.715 173.715 174.625 -0.910 17842 9970 1 13 . 1 1 161 161 SER CA C 162 57.965 57.965 58.105 -0.140 17842 9971 1 13 . 1 1 161 161 SER CB C 162 63.856 63.856 63.929 -0.073 17842 9972 1 13 . 1 1 161 161 SER H H 162 8.064 8.064 8.431 -0.367 17842 9973 1 13 . 1 1 162 162 LEU N N 163 123.433 123.433 123.002 0.431 17842 9974 1 13 . 1 1 162 162 LEU C C 163 175.609 175.609 175.937 -0.328 17842 9975 1 13 . 1 1 162 162 LEU CA C 163 54.385 54.385 56.050 -1.665 17842 9976 1 13 . 1 1 162 162 LEU CB C 163 43.046 43.046 41.610 1.436 17842 9977 1 13 . 1 1 162 162 LEU H H 163 8.282 8.282 8.342 -0.060 17842 9978 1 13 . 1 1 163 163 ASP N N 164 122.223 122.223 125.358 -3.135 17842 9979 1 13 . 1 1 163 163 ASP C C 164 175.122 175.122 176.093 -0.971 17842 9980 1 13 . 1 1 163 163 ASP CA C 164 53.400 53.400 53.133 0.267 17842 9981 1 13 . 1 1 163 163 ASP CB C 164 41.200 41.200 43.103 -1.903 17842 9982 1 13 . 1 1 163 163 ASP H H 164 8.356 8.356 8.306 0.050 17842 9983 1 13 . 1 1 166 166 SER C C 167 172.472 172.472 172.732 -0.260 17842 9984 1 13 . 1 1 166 166 SER CA C 167 56.760 56.760 58.116 -1.356 17842 9985 1 13 . 1 1 167 167 SER N N 168 115.939 115.939 117.660 -1.721 17842 9986 1 13 . 1 1 167 167 SER C C 168 173.318 173.318 172.738 0.580 17842 9987 1 13 . 1 1 167 167 SER CA C 168 56.763 56.763 57.683 -0.920 17842 9988 1 13 . 1 1 167 167 SER CB C 168 65.286 65.286 65.568 -0.282 17842 9989 1 13 . 1 1 167 167 SER H H 168 8.678 8.678 8.616 0.062 17842 9990 1 13 . 1 1 168 168 SER C C 169 172.500 172.500 173.202 -0.702 17842 9991 1 13 . 1 1 168 168 SER CA C 169 56.569 56.569 56.889 -0.320 17842 9992 1 13 . 1 1 168 168 SER CB C 169 65.738 65.738 64.059 1.679 17842 9993 1 13 . 1 1 169 169 GLN N N 170 122.951 122.951 122.134 0.817 17842 9994 1 13 . 1 1 169 169 GLN C C 170 174.697 174.697 173.660 1.037 17842 9995 1 13 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.315 -0.277 17842 9996 1 13 . 1 1 169 169 GLN CB C 170 32.383 32.383 32.062 0.321 17842 9997 1 13 . 1 1 169 169 GLN H H 170 8.745 8.745 8.218 0.527 17842 9998 1 13 . 1 1 170 170 PHE N N 171 125.628 125.628 116.912 8.716 17842 9999 1 13 . 1 1 170 170 PHE C C 171 174.628 174.628 174.186 0.442 17842 10000 1 13 . 1 1 170 170 PHE CA C 171 56.200 56.200 55.068 1.132 17842 10001 1 13 . 1 1 170 170 PHE CB C 171 41.552 41.552 39.965 1.587 17842 10002 1 13 . 1 1 170 170 PHE H H 171 7.771 7.771 8.008 -0.237 17842 10003 1 13 . 1 1 171 171 TYR N N 172 121.558 121.558 120.956 0.602 17842 10004 1 13 . 1 1 171 171 TYR C C 172 171.727 171.727 173.397 -1.670 17842 10005 1 13 . 1 1 171 171 TYR CA C 172 56.046 56.046 54.690 1.356 17842 10006 1 13 . 1 1 171 171 TYR CB C 172 42.439 42.439 41.298 1.141 17842 10007 1 13 . 1 1 171 171 TYR H H 172 8.696 8.696 9.140 -0.444 17842 10008 1 13 . 1 1 172 172 LEU N N 173 119.230 119.230 118.253 0.977 17842 10009 1 13 . 1 1 172 172 LEU C C 173 176.352 176.352 175.539 0.813 17842 10010 1 13 . 1 1 172 172 LEU CA C 173 52.743 52.743 55.390 -2.647 17842 10011 1 13 . 1 1 172 172 LEU CB C 173 46.537 46.537 47.009 -0.472 17842 10012 1 13 . 1 1 172 172 LEU H H 173 8.971 8.971 9.004 -0.033 17842 10013 1 13 . 1 1 173 173 GLY N N 174 107.248 107.248 107.912 -0.664 17842 10014 1 13 . 1 1 173 173 GLY C C 174 170.680 170.680 171.962 -1.282 17842 10015 1 13 . 1 1 173 173 GLY CA C 174 44.920 44.920 45.697 -0.777 17842 10016 1 13 . 1 1 173 173 GLY H H 174 9.085 9.085 9.203 -0.118 17842 10017 1 13 . 1 1 174 174 ALA N N 175 121.461 121.461 120.533 0.928 17842 10018 1 13 . 1 1 174 174 ALA C C 175 174.546 174.546 175.445 -0.899 17842 10019 1 13 . 1 1 174 174 ALA CA C 175 50.312 50.312 50.074 0.238 17842 10020 1 13 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.514 -0.871 17842 10021 1 13 . 1 1 174 174 ALA H H 175 8.575 8.575 8.053 0.522 17842 10022 1 13 . 1 1 175 175 ASN N N 176 117.370 117.370 116.536 0.834 17842 10023 1 13 . 1 1 175 175 ASN C C 176 173.370 173.370 173.155 0.215 17842 10024 1 13 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.790 -2.191 17842 10025 1 13 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.013 -0.056 17842 10026 1 13 . 1 1 175 175 ASN H H 176 8.762 8.762 8.342 0.420 17842 10027 1 13 . 1 1 176 176 TYR N N 177 122.724 122.724 123.523 -0.799 17842 10028 1 13 . 1 1 176 176 TYR C C 177 173.924 173.924 176.163 -2.239 17842 10029 1 13 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.175 0.263 17842 10030 1 13 . 1 1 176 176 TYR CB C 177 42.401 42.401 39.589 2.812 17842 10031 1 13 . 1 1 176 176 TYR H H 177 9.570 9.570 9.378 0.192 17842 10032 1 13 . 1 1 177 177 LYS N N 178 127.067 127.067 123.458 3.609 17842 10033 1 13 . 1 1 177 177 LYS C C 178 174.336 174.336 175.247 -0.911 17842 10034 1 13 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.326 -1.083 17842 10035 1 13 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.214 0.737 17842 10036 1 13 . 1 1 177 177 LYS H H 178 8.284 8.284 8.335 -0.051 17842 10037 1 14 . 1 1 2 2 ASP N N 3 119.767 119.767 120.535 -0.768 17842 10038 1 14 . 1 1 2 2 ASP C C 3 175.809 175.809 175.118 0.691 17842 10039 1 14 . 1 1 2 2 ASP CA C 3 53.303 53.303 54.023 -0.720 17842 10040 1 14 . 1 1 2 2 ASP CB C 3 42.915 42.915 44.802 -1.887 17842 10041 1 14 . 1 1 2 2 ASP H H 3 8.443 8.443 7.645 0.798 17842 10042 1 14 . 1 1 3 3 ASN N N 4 123.667 123.667 123.854 -0.187 17842 10043 1 14 . 1 1 3 3 ASN C C 4 174.736 174.736 174.282 0.454 17842 10044 1 14 . 1 1 3 3 ASN CA C 4 52.911 52.911 54.545 -1.634 17842 10045 1 14 . 1 1 3 3 ASN CB C 4 39.160 39.160 39.493 -0.333 17842 10046 1 14 . 1 1 3 3 ASN H H 4 8.923 8.923 8.808 0.115 17842 10047 1 14 . 1 1 4 4 PHE N N 5 118.447 118.447 123.628 -5.181 17842 10048 1 14 . 1 1 4 4 PHE C C 5 172.331 172.331 174.030 -1.699 17842 10049 1 14 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.485 -1.433 17842 10050 1 14 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.527 -0.664 17842 10051 1 14 . 1 1 4 4 PHE H H 5 8.910 8.910 8.166 0.744 17842 10052 1 14 . 1 1 5 5 VAL N N 6 116.195 116.195 121.913 -5.718 17842 10053 1 14 . 1 1 5 5 VAL C C 6 174.144 174.144 175.013 -0.869 17842 10054 1 14 . 1 1 5 5 VAL CA C 6 58.529 58.529 61.882 -3.353 17842 10055 1 14 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.309 0.509 17842 10056 1 14 . 1 1 5 5 VAL H H 6 8.903 8.903 8.627 0.276 17842 10057 1 14 . 1 1 6 6 GLY N N 7 110.150 110.150 113.979 -3.829 17842 10058 1 14 . 1 1 6 6 GLY C C 7 170.825 170.825 171.974 -1.149 17842 10059 1 14 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.146 1.072 17842 10060 1 14 . 1 1 6 6 GLY H H 7 8.670 8.670 8.775 -0.105 17842 10061 1 14 . 1 1 7 7 LEU N N 8 120.059 120.059 119.388 0.671 17842 10062 1 14 . 1 1 7 7 LEU C C 8 175.596 175.596 175.079 0.517 17842 10063 1 14 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.136 -1.203 17842 10064 1 14 . 1 1 7 7 LEU CB C 8 47.663 47.663 47.080 0.583 17842 10065 1 14 . 1 1 7 7 LEU H H 8 8.562 8.562 7.968 0.594 17842 10066 1 14 . 1 1 8 8 THR N N 9 112.180 112.180 116.389 -4.209 17842 10067 1 14 . 1 1 8 8 THR C C 9 172.942 172.942 172.744 0.198 17842 10068 1 14 . 1 1 8 8 THR CA C 9 59.539 59.539 61.307 -1.768 17842 10069 1 14 . 1 1 8 8 THR CB C 9 70.735 70.735 70.687 0.048 17842 10070 1 14 . 1 1 8 8 THR H H 9 9.114 9.114 7.958 1.156 17842 10071 1 14 . 1 1 9 9 TRP N N 10 121.476 121.476 129.300 -7.824 17842 10072 1 14 . 1 1 9 9 TRP C C 10 174.622 174.622 175.097 -0.475 17842 10073 1 14 . 1 1 9 9 TRP CA C 10 56.418 56.418 56.086 0.332 17842 10074 1 14 . 1 1 9 9 TRP CB C 10 31.877 31.877 33.298 -1.421 17842 10075 1 14 . 1 1 9 9 TRP H H 10 9.022 9.022 8.547 0.475 17842 10076 1 14 . 1 1 10 10 GLY N N 11 112.750 112.750 113.670 -0.920 17842 10077 1 14 . 1 1 10 10 GLY C C 11 171.655 171.655 173.057 -1.402 17842 10078 1 14 . 1 1 10 10 GLY CA C 11 44.940 44.940 44.239 0.701 17842 10079 1 14 . 1 1 10 10 GLY H H 11 7.798 7.798 8.073 -0.275 17842 10080 1 14 . 1 1 11 11 GLU N N 12 117.292 117.292 124.155 -6.863 17842 10081 1 14 . 1 1 11 11 GLU C C 12 175.810 175.810 175.607 0.203 17842 10082 1 14 . 1 1 11 11 GLU CA C 12 53.743 53.743 56.637 -2.894 17842 10083 1 14 . 1 1 11 11 GLU CB C 12 31.361 31.361 30.369 0.992 17842 10084 1 14 . 1 1 11 11 GLU H H 12 8.223 8.223 9.051 -0.828 17842 10085 1 14 . 1 1 12 12 THR N N 13 123.477 123.477 116.785 6.692 17842 10086 1 14 . 1 1 12 12 THR C C 13 174.233 174.233 173.324 0.909 17842 10087 1 14 . 1 1 12 12 THR CA C 13 61.872 61.872 61.396 0.476 17842 10088 1 14 . 1 1 12 12 THR CB C 13 69.374 69.374 71.365 -1.991 17842 10089 1 14 . 1 1 12 12 THR H H 13 8.722 8.722 8.174 0.548 17842 10090 1 14 . 1 1 13 13 SER N N 14 122.220 122.220 119.568 2.652 17842 10091 1 14 . 1 1 13 13 SER C C 14 173.577 173.577 174.170 -0.593 17842 10092 1 14 . 1 1 13 13 SER CA C 14 56.934 56.934 58.122 -1.188 17842 10093 1 14 . 1 1 13 13 SER CB C 14 64.249 64.249 63.956 0.293 17842 10094 1 14 . 1 1 13 13 SER H H 14 9.225 9.225 8.508 0.717 17842 10095 1 14 . 1 1 14 14 ASN N N 15 125.159 125.159 122.984 2.175 17842 10096 1 14 . 1 1 14 14 ASN C C 15 174.673 174.673 175.513 -0.840 17842 10097 1 14 . 1 1 14 14 ASN CA C 15 51.888 51.888 54.266 -2.378 17842 10098 1 14 . 1 1 14 14 ASN CB C 15 39.777 39.777 38.697 1.079 17842 10099 1 14 . 1 1 14 14 ASN H H 15 8.745 8.745 8.755 -0.010 17842 10100 1 14 . 1 1 15 15 ASN N N 16 120.330 120.330 117.566 2.764 17842 10101 1 14 . 1 1 15 15 ASN C C 16 175.886 175.886 173.968 1.918 17842 10102 1 14 . 1 1 15 15 ASN CA C 16 52.780 52.780 52.430 0.350 17842 10103 1 14 . 1 1 15 15 ASN CB C 16 38.595 38.595 39.956 -1.361 17842 10104 1 14 . 1 1 15 15 ASN H H 16 8.494 8.494 8.122 0.372 17842 10105 1 14 . 1 1 20 20 LYS C C 21 176.705 176.705 175.496 1.209 17842 10106 1 14 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.429 0.254 17842 10107 1 14 . 1 1 21 21 SER N N 22 115.966 115.966 113.642 2.324 17842 10108 1 14 . 1 1 21 21 SER C C 22 174.564 174.564 174.144 0.420 17842 10109 1 14 . 1 1 21 21 SER CA C 22 58.149 58.149 57.892 0.257 17842 10110 1 14 . 1 1 21 21 SER CB C 22 63.308 63.308 64.755 -1.447 17842 10111 1 14 . 1 1 21 21 SER H H 22 8.053 8.053 7.695 0.358 17842 10112 1 14 . 1 1 22 22 LEU N N 23 123.751 123.751 123.155 0.596 17842 10113 1 14 . 1 1 22 22 LEU C C 23 176.968 176.968 177.109 -0.141 17842 10114 1 14 . 1 1 22 22 LEU CA C 23 55.269 55.269 55.247 0.022 17842 10115 1 14 . 1 1 22 22 LEU CB C 23 42.334 42.334 42.382 -0.048 17842 10116 1 14 . 1 1 22 22 LEU H H 23 8.006 8.006 8.477 -0.471 17842 10117 1 14 . 1 1 23 23 ASN N N 24 118.937 118.937 118.910 0.027 17842 10118 1 14 . 1 1 23 23 ASN C C 24 175.119 175.119 174.851 0.268 17842 10119 1 14 . 1 1 23 23 ASN CA C 24 52.993 52.993 52.913 0.080 17842 10120 1 14 . 1 1 23 23 ASN CB C 24 38.255 38.255 38.677 -0.422 17842 10121 1 14 . 1 1 23 23 ASN H H 24 8.136 8.136 8.208 -0.072 17842 10122 1 14 . 1 1 24 24 ARG N N 25 121.500 121.500 123.020 -1.520 17842 10123 1 14 . 1 1 24 24 ARG C C 25 175.849 175.849 174.893 0.956 17842 10124 1 14 . 1 1 24 24 ARG CA C 25 56.368 56.368 56.007 0.361 17842 10125 1 14 . 1 1 24 24 ARG CB C 25 30.366 30.366 32.695 -2.329 17842 10126 1 14 . 1 1 24 24 ARG H H 25 8.097 8.097 8.446 -0.349 17842 10127 1 14 . 1 1 25 25 ASN N N 26 119.196 119.196 119.712 -0.516 17842 10128 1 14 . 1 1 25 25 ASN C C 26 175.122 175.122 174.196 0.926 17842 10129 1 14 . 1 1 25 25 ASN CA C 26 53.061 53.061 52.866 0.195 17842 10130 1 14 . 1 1 25 25 ASN CB C 26 38.291 38.291 40.628 -2.337 17842 10131 1 14 . 1 1 25 25 ASN H H 26 8.278 8.278 8.570 -0.292 17842 10132 1 14 . 1 1 26 26 LEU N N 27 122.352 122.352 123.441 -1.089 17842 10133 1 14 . 1 1 26 26 LEU C C 27 176.903 176.903 175.902 1.001 17842 10134 1 14 . 1 1 26 26 LEU CA C 27 55.326 55.326 54.740 0.586 17842 10135 1 14 . 1 1 26 26 LEU CB C 27 42.186 42.186 41.384 0.802 17842 10136 1 14 . 1 1 26 26 LEU H H 27 7.992 7.992 8.625 -0.633 17842 10137 1 14 . 1 1 27 27 ASN N N 28 118.444 118.444 122.368 -3.924 17842 10138 1 14 . 1 1 27 27 ASN C C 28 174.754 174.754 175.467 -0.713 17842 10139 1 14 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.663 -0.703 17842 10140 1 14 . 1 1 27 27 ASN CB C 28 38.419 38.419 39.620 -1.202 17842 10141 1 14 . 1 1 27 27 ASN H H 28 8.216 8.216 8.976 -0.760 17842 10142 1 14 . 1 1 28 28 SER N N 29 116.471 116.471 115.771 0.700 17842 10143 1 14 . 1 1 28 28 SER C C 29 172.778 172.778 173.230 -0.452 17842 10144 1 14 . 1 1 28 28 SER CA C 29 55.982 55.982 58.230 -2.248 17842 10145 1 14 . 1 1 28 28 SER CB C 29 63.179 63.179 63.044 0.135 17842 10146 1 14 . 1 1 28 28 SER H H 29 7.833 7.833 8.457 -0.624 17842 10147 1 14 . 1 1 29 29 PRO C C 30 176.535 176.535 175.944 0.591 17842 10148 1 14 . 1 1 29 29 PRO CA C 30 63.458 63.458 63.007 0.451 17842 10149 1 14 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.340 -0.668 17842 10150 1 14 . 1 1 30 30 ASN N N 31 118.189 118.189 115.977 2.212 17842 10151 1 14 . 1 1 30 30 ASN C C 31 175.075 175.075 175.101 -0.026 17842 10152 1 14 . 1 1 30 30 ASN CA C 31 53.051 53.051 52.584 0.467 17842 10153 1 14 . 1 1 30 30 ASN CB C 31 38.277 38.277 40.368 -2.091 17842 10154 1 14 . 1 1 30 30 ASN H H 31 8.231 8.231 8.309 -0.078 17842 10155 1 14 . 1 1 31 31 LEU N N 32 122.838 122.838 122.887 -0.049 17842 10156 1 14 . 1 1 31 31 LEU C C 32 176.800 176.800 176.578 0.222 17842 10157 1 14 . 1 1 31 31 LEU CA C 32 55.107 55.107 55.020 0.087 17842 10158 1 14 . 1 1 31 31 LEU CB C 32 42.291 42.291 41.965 0.326 17842 10159 1 14 . 1 1 31 31 LEU H H 32 8.011 8.011 8.361 -0.350 17842 10160 1 14 . 1 1 32 32 ASP N N 33 120.740 120.740 125.652 -4.912 17842 10161 1 14 . 1 1 32 32 ASP C C 33 175.863 175.863 175.604 0.259 17842 10162 1 14 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.670 -0.339 17842 10163 1 14 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.367 -0.609 17842 10164 1 14 . 1 1 32 32 ASP H H 33 8.151 8.151 8.917 -0.766 17842 10165 1 14 . 1 1 33 33 LYS N N 34 120.746 120.746 119.563 1.183 17842 10166 1 14 . 1 1 33 33 LYS C C 34 175.912 175.912 175.818 0.094 17842 10167 1 14 . 1 1 33 33 LYS CA C 34 55.865 55.865 56.443 -0.578 17842 10168 1 14 . 1 1 33 33 LYS CB C 34 32.738 32.738 32.529 0.209 17842 10169 1 14 . 1 1 33 33 LYS H H 34 7.933 7.933 8.237 -0.304 17842 10170 1 14 . 1 1 34 34 VAL N N 35 121.590 121.590 123.264 -1.674 17842 10171 1 14 . 1 1 34 34 VAL C C 35 175.691 175.691 174.236 1.455 17842 10172 1 14 . 1 1 34 34 VAL CA C 35 62.186 62.186 60.559 1.627 17842 10173 1 14 . 1 1 34 34 VAL CB C 35 32.591 32.591 31.232 1.359 17842 10174 1 14 . 1 1 34 34 VAL H H 35 7.995 7.995 8.378 -0.383 17842 10175 1 14 . 1 1 35 35 ILE N N 36 124.025 124.025 121.793 2.232 17842 10176 1 14 . 1 1 35 35 ILE C C 36 175.266 175.266 175.047 0.219 17842 10177 1 14 . 1 1 35 35 ILE CA C 36 60.495 60.495 60.427 0.068 17842 10178 1 14 . 1 1 35 35 ILE CB C 36 38.489 38.489 38.207 0.282 17842 10179 1 14 . 1 1 35 35 ILE H H 36 8.034 8.034 7.359 0.675 17842 10180 1 14 . 1 1 36 36 ASP N N 37 125.860 125.860 127.110 -1.250 17842 10181 1 14 . 1 1 36 36 ASP C C 37 175.014 175.014 174.856 0.158 17842 10182 1 14 . 1 1 36 36 ASP CA C 37 53.719 53.719 53.583 0.136 17842 10183 1 14 . 1 1 36 36 ASP CB C 37 41.755 41.755 42.482 -0.727 17842 10184 1 14 . 1 1 36 36 ASP H H 37 8.190 8.190 8.616 -0.426 17842 10185 1 14 . 1 1 37 37 ASN N N 38 120.770 120.770 120.331 0.439 17842 10186 1 14 . 1 1 37 37 ASN C C 38 174.821 174.821 174.487 0.334 17842 10187 1 14 . 1 1 37 37 ASN CA C 38 53.157 53.157 52.417 0.740 17842 10188 1 14 . 1 1 37 37 ASN CB C 38 38.663 38.663 40.978 -2.316 17842 10189 1 14 . 1 1 37 37 ASN H H 38 8.334 8.334 8.441 -0.107 17842 10190 1 14 . 1 1 38 38 THR N N 39 115.976 115.976 112.448 3.528 17842 10191 1 14 . 1 1 38 38 THR C C 39 175.226 175.226 173.848 1.378 17842 10192 1 14 . 1 1 38 38 THR CA C 39 62.215 62.215 61.168 1.047 17842 10193 1 14 . 1 1 38 38 THR CB C 39 69.618 69.618 70.434 -0.816 17842 10194 1 14 . 1 1 38 38 THR H H 39 8.508 8.508 8.280 0.228 17842 10195 1 14 . 1 1 39 39 GLY N N 40 115.818 115.818 111.573 4.245 17842 10196 1 14 . 1 1 39 39 GLY C C 40 172.862 172.862 173.362 -0.500 17842 10197 1 14 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.970 0.198 17842 10198 1 14 . 1 1 39 39 GLY H H 40 8.819 8.819 8.568 0.251 17842 10199 1 14 . 1 1 40 40 THR N N 41 119.787 119.787 117.926 1.861 17842 10200 1 14 . 1 1 40 40 THR C C 41 172.914 172.914 172.453 0.461 17842 10201 1 14 . 1 1 40 40 THR CA C 41 61.321 61.321 62.091 -0.770 17842 10202 1 14 . 1 1 40 40 THR CB C 41 71.499 71.499 71.485 0.014 17842 10203 1 14 . 1 1 40 40 THR H H 41 8.117 8.117 7.451 0.666 17842 10204 1 14 . 1 1 41 41 TRP N N 42 128.090 128.090 127.721 0.369 17842 10205 1 14 . 1 1 41 41 TRP C C 42 174.627 174.627 173.750 0.877 17842 10206 1 14 . 1 1 41 41 TRP CA C 42 55.122 55.122 56.665 -1.543 17842 10207 1 14 . 1 1 41 41 TRP CB C 42 31.905 31.905 32.441 -0.536 17842 10208 1 14 . 1 1 41 41 TRP H H 42 8.178 8.178 8.438 -0.260 17842 10209 1 14 . 1 1 42 42 GLY N N 43 109.883 109.883 111.588 -1.705 17842 10210 1 14 . 1 1 42 42 GLY C C 43 172.317 172.317 172.054 0.263 17842 10211 1 14 . 1 1 42 42 GLY CA C 43 44.176 44.176 44.555 -0.379 17842 10212 1 14 . 1 1 42 42 GLY H H 43 8.892 8.892 7.989 0.903 17842 10213 1 14 . 1 1 43 43 ILE N N 44 118.005 118.005 119.048 -1.043 17842 10214 1 14 . 1 1 43 43 ILE C C 44 173.071 173.071 174.351 -1.280 17842 10215 1 14 . 1 1 43 43 ILE CA C 44 58.606 58.606 60.106 -1.500 17842 10216 1 14 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.613 0.517 17842 10217 1 14 . 1 1 43 43 ILE H H 44 8.879 8.879 7.658 1.221 17842 10218 1 14 . 1 1 44 44 ARG N N 45 120.855 120.855 121.592 -0.737 17842 10219 1 14 . 1 1 44 44 ARG C C 45 174.942 174.942 174.855 0.087 17842 10220 1 14 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.334 -1.444 17842 10221 1 14 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.220 -0.268 17842 10222 1 14 . 1 1 44 44 ARG H H 45 8.708 8.708 8.972 -0.264 17842 10223 1 14 . 1 1 45 45 ALA N N 46 119.127 119.127 127.673 -8.546 17842 10224 1 14 . 1 1 45 45 ALA C C 46 175.693 175.693 175.522 0.171 17842 10225 1 14 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.113 -1.493 17842 10226 1 14 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.956 -0.174 17842 10227 1 14 . 1 1 45 45 ALA H H 46 8.419 8.419 8.416 0.003 17842 10228 1 14 . 1 1 46 46 GLY N N 47 107.350 107.350 110.435 -3.085 17842 10229 1 14 . 1 1 46 46 GLY C C 47 171.353 171.353 172.159 -0.806 17842 10230 1 14 . 1 1 46 46 GLY CA C 47 45.630 45.630 45.883 -0.253 17842 10231 1 14 . 1 1 46 46 GLY H H 47 7.819 7.819 9.397 -1.578 17842 10232 1 14 . 1 1 47 47 GLN N N 48 118.061 118.061 118.708 -0.647 17842 10233 1 14 . 1 1 47 47 GLN C C 48 173.671 173.671 174.027 -0.356 17842 10234 1 14 . 1 1 47 47 GLN CA C 48 54.365 54.365 55.331 -0.966 17842 10235 1 14 . 1 1 47 47 GLN CB C 48 32.912 32.912 33.226 -0.314 17842 10236 1 14 . 1 1 47 47 GLN H H 48 8.483 8.483 7.967 0.516 17842 10237 1 14 . 1 1 48 48 GLN N N 49 122.691 122.691 122.935 -0.244 17842 10238 1 14 . 1 1 48 48 GLN C C 49 173.291 173.291 174.308 -1.017 17842 10239 1 14 . 1 1 48 48 GLN CA C 49 54.593 54.593 56.170 -1.577 17842 10240 1 14 . 1 1 48 48 GLN CB C 49 30.750 30.750 31.270 -0.520 17842 10241 1 14 . 1 1 48 48 GLN H H 49 9.319 9.319 9.197 0.122 17842 10242 1 14 . 1 1 49 49 PHE N N 50 126.379 126.379 120.958 5.421 17842 10243 1 14 . 1 1 49 49 PHE C C 50 175.918 175.918 176.389 -0.471 17842 10244 1 14 . 1 1 49 49 PHE CA C 50 55.013 55.013 56.812 -1.799 17842 10245 1 14 . 1 1 49 49 PHE CB C 50 39.974 39.974 42.750 -2.776 17842 10246 1 14 . 1 1 49 49 PHE H H 50 8.781 8.781 9.241 -0.460 17842 10247 1 14 . 1 1 50 50 GLU N N 51 121.087 121.087 120.619 0.468 17842 10248 1 14 . 1 1 50 50 GLU C C 51 178.452 178.452 176.836 1.616 17842 10249 1 14 . 1 1 50 50 GLU CA C 51 60.435 60.435 58.803 1.632 17842 10250 1 14 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.783 -1.097 17842 10251 1 14 . 1 1 50 50 GLU H H 51 8.975 8.975 8.805 0.170 17842 10252 1 14 . 1 1 51 51 GLN N N 52 111.198 111.198 117.016 -5.818 17842 10253 1 14 . 1 1 51 51 GLN C C 52 176.031 176.031 174.730 1.301 17842 10254 1 14 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.242 0.594 17842 10255 1 14 . 1 1 51 51 GLN CB C 52 28.617 28.617 30.148 -1.531 17842 10256 1 14 . 1 1 51 51 GLN H H 52 7.955 7.955 8.383 -0.428 17842 10257 1 14 . 1 1 52 52 GLY N N 53 110.800 110.800 107.189 3.611 17842 10258 1 14 . 1 1 52 52 GLY C C 53 169.076 169.076 172.184 -3.108 17842 10259 1 14 . 1 1 52 52 GLY CA C 53 45.303 45.303 46.112 -0.809 17842 10260 1 14 . 1 1 52 52 GLY H H 53 6.696 6.696 7.490 -0.794 17842 10261 1 14 . 1 1 53 53 ARG N N 54 111.857 111.857 119.784 -7.927 17842 10262 1 14 . 1 1 53 53 ARG C C 54 172.397 172.397 173.825 -1.428 17842 10263 1 14 . 1 1 53 53 ARG CA C 54 54.227 54.227 56.038 -1.811 17842 10264 1 14 . 1 1 53 53 ARG CB C 54 31.755 31.755 34.266 -2.511 17842 10265 1 14 . 1 1 53 53 ARG H H 54 8.216 8.216 8.606 -0.390 17842 10266 1 14 . 1 1 54 54 TYR N N 55 116.379 116.379 124.536 -8.157 17842 10267 1 14 . 1 1 54 54 TYR C C 55 175.461 175.461 175.924 -0.463 17842 10268 1 14 . 1 1 54 54 TYR CA C 55 55.296 55.296 55.649 -0.353 17842 10269 1 14 . 1 1 54 54 TYR CB C 55 41.539 41.539 41.659 -0.120 17842 10270 1 14 . 1 1 54 54 TYR H H 55 8.477 8.477 9.368 -0.891 17842 10271 1 14 . 1 1 55 55 TYR N N 56 114.651 114.651 113.979 0.672 17842 10272 1 14 . 1 1 55 55 TYR C C 56 173.431 173.431 173.032 0.399 17842 10273 1 14 . 1 1 55 55 TYR CA C 56 55.886 55.886 57.307 -1.421 17842 10274 1 14 . 1 1 55 55 TYR CB C 56 37.595 37.595 38.792 -1.197 17842 10275 1 14 . 1 1 55 55 TYR H H 56 8.221 8.221 8.509 -0.288 17842 10276 1 14 . 1 1 56 56 ALA N N 57 125.460 125.460 126.093 -0.633 17842 10277 1 14 . 1 1 56 56 ALA C C 57 175.737 175.737 176.779 -1.042 17842 10278 1 14 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.276 -1.129 17842 10279 1 14 . 1 1 56 56 ALA CB C 57 20.777 20.777 21.227 -0.450 17842 10280 1 14 . 1 1 56 56 ALA H H 57 9.034 9.034 8.584 0.450 17842 10281 1 14 . 1 1 57 57 THR N N 58 116.923 116.923 117.962 -1.039 17842 10282 1 14 . 1 1 57 57 THR C C 58 173.462 173.462 173.581 -0.119 17842 10283 1 14 . 1 1 57 57 THR CA C 58 61.458 61.458 61.191 0.267 17842 10284 1 14 . 1 1 57 57 THR CB C 58 71.683 71.683 70.908 0.775 17842 10285 1 14 . 1 1 57 57 THR H H 58 8.907 8.907 8.499 0.408 17842 10286 1 14 . 1 1 58 58 TYR N N 59 126.784 126.784 126.380 0.404 17842 10287 1 14 . 1 1 58 58 TYR C C 59 173.954 173.954 175.305 -1.351 17842 10288 1 14 . 1 1 58 58 TYR CA C 59 55.682 55.682 56.427 -0.745 17842 10289 1 14 . 1 1 58 58 TYR CB C 59 41.320 41.320 38.992 2.328 17842 10290 1 14 . 1 1 58 58 TYR H H 59 8.974 8.974 8.455 0.519 17842 10291 1 14 . 1 1 59 59 GLU N N 60 124.211 124.211 124.438 -0.227 17842 10292 1 14 . 1 1 59 59 GLU C C 60 173.989 173.989 174.872 -0.883 17842 10293 1 14 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.996 -2.072 17842 10294 1 14 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.197 0.545 17842 10295 1 14 . 1 1 59 59 GLU H H 60 8.049 8.049 8.281 -0.232 17842 10296 1 14 . 1 1 60 60 ASN N N 61 118.358 118.358 121.938 -3.580 17842 10297 1 14 . 1 1 60 60 ASN C C 61 173.609 173.609 174.467 -0.858 17842 10298 1 14 . 1 1 60 60 ASN CA C 61 52.281 52.281 53.497 -1.216 17842 10299 1 14 . 1 1 60 60 ASN H H 61 8.155 8.155 8.284 -0.129 17842 10300 1 14 . 1 1 61 61 ILE C C 62 174.902 174.902 175.395 -0.493 17842 10301 1 14 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.936 0.044 17842 10302 1 14 . 1 1 61 61 ILE CB C 62 40.772 40.772 41.064 -0.292 17842 10303 1 14 . 1 1 62 62 SER N N 63 121.368 121.368 122.227 -0.859 17842 10304 1 14 . 1 1 62 62 SER C C 63 173.027 173.027 173.021 0.006 17842 10305 1 14 . 1 1 62 62 SER CA C 63 57.295 57.295 57.938 -0.643 17842 10306 1 14 . 1 1 62 62 SER CB C 63 64.306 64.306 62.315 1.991 17842 10307 1 14 . 1 1 62 62 SER H H 63 8.339 8.339 8.729 -0.390 17842 10308 1 14 . 1 1 63 63 ASP N N 64 124.300 124.300 120.182 4.118 17842 10309 1 14 . 1 1 63 63 ASP C C 64 176.570 176.570 176.327 0.243 17842 10310 1 14 . 1 1 63 63 ASP CA C 64 53.291 53.291 53.768 -0.477 17842 10311 1 14 . 1 1 63 63 ASP CB C 64 42.484 42.484 44.729 -2.245 17842 10312 1 14 . 1 1 63 63 ASP H H 64 8.596 8.596 7.780 0.816 17842 10313 1 14 . 1 1 64 64 THR N N 65 116.756 116.756 115.154 1.602 17842 10314 1 14 . 1 1 64 64 THR C C 65 175.975 175.975 175.530 0.445 17842 10315 1 14 . 1 1 64 64 THR CA C 65 61.608 61.608 63.703 -2.095 17842 10316 1 14 . 1 1 64 64 THR CB C 65 68.856 68.856 69.336 -0.480 17842 10317 1 14 . 1 1 64 64 THR H H 65 8.581 8.581 8.366 0.215 17842 10318 1 14 . 1 1 65 65 SER N N 66 119.276 119.276 118.417 0.859 17842 10319 1 14 . 1 1 65 65 SER CA C 66 59.728 59.728 60.411 -0.683 17842 10320 1 14 . 1 1 65 65 SER CB C 66 63.514 63.514 63.497 0.017 17842 10321 1 14 . 1 1 65 65 SER H H 66 8.492 8.492 8.219 0.273 17842 10322 1 14 . 1 1 66 66 SER C C 67 175.122 175.122 174.061 1.061 17842 10323 1 14 . 1 1 66 66 SER CA C 67 58.554 58.554 57.965 0.589 17842 10324 1 14 . 1 1 67 67 GLY N N 68 110.266 110.266 110.017 0.249 17842 10325 1 14 . 1 1 67 67 GLY C C 68 173.832 173.832 173.390 0.442 17842 10326 1 14 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.338 0.869 17842 10327 1 14 . 1 1 67 67 GLY H H 68 8.184 8.184 8.334 -0.150 17842 10328 1 14 . 1 1 68 68 ASN N N 69 118.584 118.584 121.090 -2.506 17842 10329 1 14 . 1 1 68 68 ASN C C 69 174.239 174.239 174.844 -0.605 17842 10330 1 14 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.037 0.693 17842 10331 1 14 . 1 1 68 68 ASN CB C 69 38.938 38.938 41.292 -2.354 17842 10332 1 14 . 1 1 68 68 ASN H H 69 7.972 7.972 7.851 0.121 17842 10333 1 14 . 1 1 72 72 GLN C C 73 173.610 173.610 173.988 -0.378 17842 10334 1 14 . 1 1 72 72 GLN CA C 73 53.449 53.449 55.413 -1.964 17842 10335 1 14 . 1 1 73 73 GLN N N 74 123.659 123.659 121.962 1.697 17842 10336 1 14 . 1 1 73 73 GLN C C 74 173.276 173.276 174.124 -0.848 17842 10337 1 14 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.498 -0.954 17842 10338 1 14 . 1 1 73 73 GLN CB C 74 34.344 34.344 32.814 1.530 17842 10339 1 14 . 1 1 73 73 GLN H H 74 8.697 8.697 8.040 0.657 17842 10340 1 14 . 1 1 74 74 ASN N N 75 118.720 118.720 123.307 -4.587 17842 10341 1 14 . 1 1 74 74 ASN C C 75 173.733 173.733 173.167 0.566 17842 10342 1 14 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.810 -2.541 17842 10343 1 14 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.806 -1.736 17842 10344 1 14 . 1 1 74 74 ASN H H 75 8.295 8.295 8.345 -0.050 17842 10345 1 14 . 1 1 75 75 LEU N N 76 124.353 124.353 127.105 -2.752 17842 10346 1 14 . 1 1 75 75 LEU C C 76 174.267 174.267 173.950 0.317 17842 10347 1 14 . 1 1 75 75 LEU CA C 76 53.916 53.916 53.596 0.320 17842 10348 1 14 . 1 1 75 75 LEU CB C 76 44.633 44.633 44.052 0.581 17842 10349 1 14 . 1 1 75 75 LEU H H 76 8.847 8.847 8.024 0.823 17842 10350 1 14 . 1 1 76 76 LEU N N 77 124.437 124.437 126.610 -2.173 17842 10351 1 14 . 1 1 76 76 LEU C C 77 175.188 175.188 174.794 0.394 17842 10352 1 14 . 1 1 76 76 LEU CA C 77 52.934 52.934 54.213 -1.279 17842 10353 1 14 . 1 1 76 76 LEU CB C 77 45.115 45.115 46.401 -1.286 17842 10354 1 14 . 1 1 76 76 LEU H H 77 9.222 9.222 8.043 1.179 17842 10355 1 14 . 1 1 77 77 GLY N N 78 107.288 107.288 110.736 -3.448 17842 10356 1 14 . 1 1 77 77 GLY C C 78 171.733 171.733 173.359 -1.626 17842 10357 1 14 . 1 1 77 77 GLY CA C 78 44.160 44.160 44.208 -0.048 17842 10358 1 14 . 1 1 77 77 GLY H H 78 9.132 9.132 8.851 0.281 17842 10359 1 14 . 1 1 78 78 SER N N 79 117.437 117.437 122.065 -4.628 17842 10360 1 14 . 1 1 78 78 SER C C 79 171.279 171.279 172.700 -1.421 17842 10361 1 14 . 1 1 78 78 SER CA C 79 57.272 57.272 56.691 0.581 17842 10362 1 14 . 1 1 78 78 SER CB C 79 65.596 65.596 66.060 -0.464 17842 10363 1 14 . 1 1 78 78 SER H H 79 8.210 8.210 8.149 0.061 17842 10364 1 14 . 1 1 79 79 TYR N N 80 122.901 122.901 118.098 4.803 17842 10365 1 14 . 1 1 79 79 TYR C C 80 173.757 173.757 173.666 0.091 17842 10366 1 14 . 1 1 79 79 TYR CA C 80 56.243 56.243 54.837 1.406 17842 10367 1 14 . 1 1 79 79 TYR CB C 80 42.570 42.570 38.716 3.854 17842 10368 1 14 . 1 1 79 79 TYR H H 80 8.092 8.092 8.503 -0.411 17842 10369 1 14 . 1 1 80 80 ASP N N 81 122.808 122.808 125.259 -2.451 17842 10370 1 14 . 1 1 80 80 ASP C C 81 173.607 173.607 174.513 -0.906 17842 10371 1 14 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.960 -0.295 17842 10372 1 14 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.344 0.443 17842 10373 1 14 . 1 1 80 80 ASP H H 81 8.268 8.268 9.051 -0.783 17842 10374 1 14 . 1 1 81 81 ALA N N 82 121.201 121.201 123.031 -1.830 17842 10375 1 14 . 1 1 81 81 ALA C C 82 177.094 177.094 176.386 0.708 17842 10376 1 14 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.800 -1.055 17842 10377 1 14 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.217 1.294 17842 10378 1 14 . 1 1 81 81 ALA H H 82 8.931 8.931 8.647 0.284 17842 10379 1 14 . 1 1 82 82 PHE N N 83 116.305 116.305 122.104 -5.799 17842 10380 1 14 . 1 1 82 82 PHE C C 83 176.299 176.299 174.012 2.287 17842 10381 1 14 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.609 -2.945 17842 10382 1 14 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.246 0.875 17842 10383 1 14 . 1 1 82 82 PHE H H 83 7.404 7.404 8.485 -1.081 17842 10384 1 14 . 1 1 83 83 LEU N N 84 122.208 122.208 121.333 0.875 17842 10385 1 14 . 1 1 83 83 LEU C C 84 173.599 173.599 174.295 -0.696 17842 10386 1 14 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.411 -0.537 17842 10387 1 14 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.527 -1.161 17842 10388 1 14 . 1 1 83 83 LEU H H 84 9.049 9.049 8.245 0.804 17842 10389 1 14 . 1 1 84 84 PRO C C 85 175.877 175.877 175.868 0.009 17842 10390 1 14 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.635 -0.594 17842 10391 1 14 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.337 0.149 17842 10392 1 14 . 1 1 85 85 ILE N N 86 119.588 119.588 127.213 -7.625 17842 10393 1 14 . 1 1 85 85 ILE C C 86 175.749 175.749 175.612 0.137 17842 10394 1 14 . 1 1 85 85 ILE CA C 86 59.267 59.267 59.392 -0.124 17842 10395 1 14 . 1 1 85 85 ILE CB C 86 39.835 39.835 38.440 1.395 17842 10396 1 14 . 1 1 85 85 ILE H H 86 8.205 8.205 7.804 0.401 17842 10397 1 14 . 1 1 86 86 GLY N N 87 112.396 112.396 117.492 -5.096 17842 10398 1 14 . 1 1 86 86 GLY C C 87 174.218 174.218 174.030 0.188 17842 10399 1 14 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.735 -0.043 17842 10400 1 14 . 1 1 86 86 GLY H H 87 8.364 8.364 8.712 -0.348 17842 10401 1 14 . 1 1 87 87 ASP N N 88 122.109 122.109 120.088 2.021 17842 10402 1 14 . 1 1 87 87 ASP C C 88 175.839 175.839 176.231 -0.392 17842 10403 1 14 . 1 1 87 87 ASP CA C 88 53.535 53.535 55.266 -1.731 17842 10404 1 14 . 1 1 87 87 ASP CB C 88 41.132 41.132 42.064 -0.932 17842 10405 1 14 . 1 1 87 87 ASP H H 88 8.249 8.249 8.345 -0.096 17842 10406 1 14 . 1 1 88 88 ASN N N 89 116.308 116.308 114.567 1.741 17842 10407 1 14 . 1 1 88 88 ASN C C 89 175.100 175.100 174.712 0.388 17842 10408 1 14 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.617 -0.695 17842 10409 1 14 . 1 1 88 88 ASN CB C 89 38.183 38.183 38.926 -0.743 17842 10410 1 14 . 1 1 88 88 ASN H H 89 8.449 8.449 8.577 -0.128 17842 10411 1 14 . 1 1 89 89 ASN N N 90 115.987 115.987 117.122 -1.135 17842 10412 1 14 . 1 1 89 89 ASN C C 90 173.909 173.909 174.410 -0.501 17842 10413 1 14 . 1 1 89 89 ASN CA C 90 54.386 54.386 54.100 0.286 17842 10414 1 14 . 1 1 89 89 ASN CB C 90 37.657 37.657 38.303 -0.646 17842 10415 1 14 . 1 1 89 89 ASN H H 90 8.477 8.477 8.528 -0.051 17842 10416 1 14 . 1 1 90 90 THR N N 91 116.991 116.991 114.913 2.078 17842 10417 1 14 . 1 1 90 90 THR C C 91 173.763 173.763 172.967 0.796 17842 10418 1 14 . 1 1 90 90 THR CA C 91 62.170 62.170 61.678 0.492 17842 10419 1 14 . 1 1 90 90 THR CB C 91 68.706 68.706 71.642 -2.937 17842 10420 1 14 . 1 1 90 90 THR H H 91 7.600 7.600 7.786 -0.186 17842 10421 1 14 . 1 1 91 91 LYS N N 92 124.349 124.349 126.887 -2.538 17842 10422 1 14 . 1 1 91 91 LYS C C 92 175.815 175.815 176.243 -0.428 17842 10423 1 14 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.215 -0.809 17842 10424 1 14 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.931 0.567 17842 10425 1 14 . 1 1 91 91 LYS H H 92 9.249 9.249 8.667 0.582 17842 10426 1 14 . 1 1 92 92 LEU N N 93 123.462 123.462 129.218 -5.756 17842 10427 1 14 . 1 1 92 92 LEU C C 93 176.260 176.260 175.793 0.467 17842 10428 1 14 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.125 -1.296 17842 10429 1 14 . 1 1 92 92 LEU CB C 93 43.614 43.614 42.092 1.522 17842 10430 1 14 . 1 1 92 92 LEU H H 93 8.650 8.650 8.161 0.489 17842 10431 1 14 . 1 1 93 93 PHE N N 94 119.497 119.497 122.917 -3.420 17842 10432 1 14 . 1 1 93 93 PHE C C 94 173.154 173.154 174.798 -1.644 17842 10433 1 14 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.270 0.866 17842 10434 1 14 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.452 1.641 17842 10435 1 14 . 1 1 93 93 PHE H H 94 8.485 8.485 7.914 0.571 17842 10436 1 14 . 1 1 94 94 GLY N N 95 105.945 105.945 106.559 -0.614 17842 10437 1 14 . 1 1 94 94 GLY C C 95 171.815 171.815 172.250 -0.435 17842 10438 1 14 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.108 -0.726 17842 10439 1 14 . 1 1 94 94 GLY H H 95 8.256 8.256 8.037 0.219 17842 10440 1 14 . 1 1 95 95 GLY N N 96 110.432 110.432 108.804 1.628 17842 10441 1 14 . 1 1 95 95 GLY C C 96 171.826 171.826 171.485 0.341 17842 10442 1 14 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.663 1.223 17842 10443 1 14 . 1 1 95 95 GLY H H 96 9.005 9.005 8.778 0.227 17842 10444 1 14 . 1 1 96 96 ALA N N 97 117.509 117.509 120.868 -3.359 17842 10445 1 14 . 1 1 96 96 ALA C C 97 176.928 176.928 174.801 2.127 17842 10446 1 14 . 1 1 96 96 ALA CA C 97 49.401 49.401 49.803 -0.402 17842 10447 1 14 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.237 1.188 17842 10448 1 14 . 1 1 96 96 ALA H H 97 8.039 8.039 7.254 0.785 17842 10449 1 14 . 1 1 97 97 THR N N 98 118.891 118.891 113.958 4.933 17842 10450 1 14 . 1 1 97 97 THR C C 98 172.492 172.492 172.979 -0.487 17842 10451 1 14 . 1 1 97 97 THR CA C 98 61.730 61.730 60.026 1.704 17842 10452 1 14 . 1 1 97 97 THR CB C 98 73.046 73.046 70.228 2.818 17842 10453 1 14 . 1 1 97 97 THR H H 98 8.379 8.379 7.997 0.382 17842 10454 1 14 . 1 1 98 98 LEU N N 99 124.958 124.958 124.394 0.564 17842 10455 1 14 . 1 1 98 98 LEU C C 99 175.753 175.753 175.237 0.516 17842 10456 1 14 . 1 1 98 98 LEU CA C 99 53.474 53.474 55.202 -1.728 17842 10457 1 14 . 1 1 98 98 LEU CB C 99 47.243 47.243 46.580 0.663 17842 10458 1 14 . 1 1 98 98 LEU H H 99 8.880 8.880 8.077 0.803 17842 10459 1 14 . 1 1 99 99 GLY N N 100 106.645 106.645 110.429 -3.784 17842 10460 1 14 . 1 1 99 99 GLY C C 100 169.886 169.886 171.904 -2.018 17842 10461 1 14 . 1 1 99 99 GLY CA C 100 46.631 46.631 45.065 1.567 17842 10462 1 14 . 1 1 99 99 GLY H H 100 8.635 8.635 8.031 0.604 17842 10463 1 14 . 1 1 100 100 LEU N N 101 121.823 121.823 120.422 1.401 17842 10464 1 14 . 1 1 100 100 LEU C C 101 174.876 174.876 175.023 -0.147 17842 10465 1 14 . 1 1 100 100 LEU CA C 101 53.071 53.071 55.145 -2.075 17842 10466 1 14 . 1 1 100 100 LEU CB C 101 46.646 46.646 46.612 0.034 17842 10467 1 14 . 1 1 100 100 LEU H H 101 9.088 9.088 8.451 0.637 17842 10468 1 14 . 1 1 101 101 VAL N N 102 118.857 118.857 124.939 -6.082 17842 10469 1 14 . 1 1 101 101 VAL C C 102 174.015 174.015 174.825 -0.810 17842 10470 1 14 . 1 1 101 101 VAL CA C 102 59.666 59.666 61.165 -1.499 17842 10471 1 14 . 1 1 101 101 VAL CB C 102 35.406 35.406 33.610 1.796 17842 10472 1 14 . 1 1 101 101 VAL H H 102 8.291 8.291 8.450 -0.159 17842 10473 1 14 . 1 1 102 102 LYS N N 103 126.552 126.552 126.153 0.399 17842 10474 1 14 . 1 1 102 102 LYS C C 103 174.712 174.712 174.568 0.144 17842 10475 1 14 . 1 1 102 102 LYS CA C 103 54.433 54.433 54.791 -0.358 17842 10476 1 14 . 1 1 102 102 LYS CB C 103 35.733 35.733 35.154 0.579 17842 10477 1 14 . 1 1 102 102 LYS H H 103 9.141 9.141 8.307 0.834 17842 10478 1 14 . 1 1 103 103 LEU N N 104 129.605 129.605 125.446 4.159 17842 10479 1 14 . 1 1 103 103 LEU C C 104 175.344 175.344 174.682 0.662 17842 10480 1 14 . 1 1 103 103 LEU CA C 104 53.492 53.492 53.598 -0.106 17842 10481 1 14 . 1 1 103 103 LEU CB C 104 45.004 45.004 45.684 -0.680 17842 10482 1 14 . 1 1 103 103 LEU H H 104 8.921 8.921 8.094 0.827 17842 10483 1 14 . 1 1 104 104 GLU C C 105 174.715 174.715 174.567 0.148 17842 10484 1 14 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.601 -0.975 17842 10485 1 14 . 1 1 104 104 GLU CB C 105 33.055 33.055 31.564 1.491 17842 10486 1 14 . 1 1 105 105 GLN N N 106 121.991 121.991 118.939 3.052 17842 10487 1 14 . 1 1 105 105 GLN C C 106 175.002 175.002 175.138 -0.136 17842 10488 1 14 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.312 -0.633 17842 10489 1 14 . 1 1 105 105 GLN CB C 106 30.252 30.252 30.415 -0.163 17842 10490 1 14 . 1 1 105 105 GLN H H 106 8.532 8.532 8.431 0.101 17842 10491 1 14 . 1 1 106 106 ASP N N 107 123.884 123.884 121.081 2.803 17842 10492 1 14 . 1 1 106 106 ASP C C 107 176.352 176.352 176.201 0.151 17842 10493 1 14 . 1 1 106 106 ASP CA C 107 54.108 54.108 53.831 0.277 17842 10494 1 14 . 1 1 106 106 ASP CB C 107 41.448 41.448 41.317 0.131 17842 10495 1 14 . 1 1 106 106 ASP H H 107 8.414 8.414 8.531 -0.117 17842 10496 1 14 . 1 1 107 107 GLY N N 108 110.294 110.294 110.511 -0.217 17842 10497 1 14 . 1 1 107 107 GLY C C 108 174.111 174.111 175.056 -0.945 17842 10498 1 14 . 1 1 107 107 GLY CA C 108 44.992 44.992 46.089 -1.097 17842 10499 1 14 . 1 1 107 107 GLY H H 108 8.226 8.226 8.788 -0.562 17842 10500 1 14 . 1 1 108 108 LYS N N 109 121.045 121.045 119.959 1.086 17842 10501 1 14 . 1 1 108 108 LYS C C 109 176.988 176.988 177.104 -0.116 17842 10502 1 14 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.195 0.048 17842 10503 1 14 . 1 1 108 108 LYS CB C 109 31.957 31.957 33.417 -1.460 17842 10504 1 14 . 1 1 108 108 LYS H H 109 8.130 8.130 8.345 -0.215 17842 10505 1 14 . 1 1 109 109 GLY N N 110 109.975 109.975 108.285 1.690 17842 10506 1 14 . 1 1 109 109 GLY C C 110 173.856 173.856 174.212 -0.356 17842 10507 1 14 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.567 0.402 17842 10508 1 14 . 1 1 109 109 GLY H H 110 8.313 8.313 8.279 0.034 17842 10509 1 14 . 1 1 110 110 PHE N N 111 119.873 119.873 121.350 -1.477 17842 10510 1 14 . 1 1 110 110 PHE C C 111 175.195 175.195 175.251 -0.056 17842 10511 1 14 . 1 1 110 110 PHE CA C 111 57.334 57.334 56.795 0.539 17842 10512 1 14 . 1 1 110 110 PHE CB C 111 39.311 39.311 39.432 -0.121 17842 10513 1 14 . 1 1 110 110 PHE H H 111 7.848 7.848 8.063 -0.215 17842 10514 1 14 . 1 1 111 111 LYS N N 112 122.900 122.900 129.207 -6.307 17842 10515 1 14 . 1 1 111 111 LYS C C 112 175.898 175.898 176.109 -0.211 17842 10516 1 14 . 1 1 111 111 LYS CA C 112 55.928 55.928 56.895 -0.967 17842 10517 1 14 . 1 1 111 111 LYS CB C 112 32.741 32.741 31.772 0.969 17842 10518 1 14 . 1 1 111 111 LYS H H 112 8.073 8.073 8.550 -0.477 17842 10519 1 14 . 1 1 112 112 ARG N N 113 123.302 123.302 125.469 -2.167 17842 10520 1 14 . 1 1 112 112 ARG C C 113 175.762 175.762 173.937 1.825 17842 10521 1 14 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.182 -0.305 17842 10522 1 14 . 1 1 112 112 ARG CB C 113 30.678 30.678 33.121 -2.443 17842 10523 1 14 . 1 1 112 112 ARG H H 113 8.277 8.277 8.088 0.189 17842 10524 1 14 . 1 1 113 113 ASP N N 114 122.193 122.193 124.644 -2.451 17842 10525 1 14 . 1 1 113 113 ASP C C 114 175.875 175.875 176.247 -0.372 17842 10526 1 14 . 1 1 113 113 ASP CA C 114 54.219 54.219 53.789 0.430 17842 10527 1 14 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.887 -0.608 17842 10528 1 14 . 1 1 113 113 ASP H H 114 8.300 8.300 8.568 -0.268 17842 10529 1 14 . 1 1 114 114 SER N N 115 114.844 114.844 118.466 -3.622 17842 10530 1 14 . 1 1 114 114 SER C C 115 173.567 173.567 175.023 -1.456 17842 10531 1 14 . 1 1 114 114 SER CA C 115 57.538 57.538 59.182 -1.645 17842 10532 1 14 . 1 1 114 114 SER CB C 115 64.306 64.306 64.569 -0.263 17842 10533 1 14 . 1 1 114 114 SER H H 115 8.071 8.071 8.864 -0.793 17842 10534 1 14 . 1 1 115 115 ASP N N 116 122.371 122.371 125.002 -2.631 17842 10535 1 14 . 1 1 115 115 ASP C C 116 175.096 175.096 175.141 -0.045 17842 10536 1 14 . 1 1 115 115 ASP CA C 116 53.960 53.960 53.889 0.071 17842 10537 1 14 . 1 1 115 115 ASP CB C 116 42.394 42.394 40.267 2.127 17842 10538 1 14 . 1 1 115 115 ASP H H 116 8.400 8.400 8.066 0.334 17842 10539 1 14 . 1 1 116 116 VAL N N 117 120.462 120.462 117.838 2.624 17842 10540 1 14 . 1 1 116 116 VAL C C 117 175.349 175.349 176.318 -0.969 17842 10541 1 14 . 1 1 116 116 VAL CA C 117 60.785 60.785 59.287 1.498 17842 10542 1 14 . 1 1 116 116 VAL CB C 117 33.507 33.507 33.234 0.273 17842 10543 1 14 . 1 1 116 116 VAL H H 117 8.014 8.014 7.757 0.257 17842 10544 1 14 . 1 1 117 117 GLY N N 118 112.807 112.807 109.145 3.662 17842 10545 1 14 . 1 1 117 117 GLY C C 118 172.079 172.079 171.835 0.244 17842 10546 1 14 . 1 1 117 117 GLY CA C 118 43.255 43.255 45.466 -2.211 17842 10547 1 14 . 1 1 117 117 GLY H H 118 8.871 8.871 7.800 1.071 17842 10548 1 14 . 1 1 118 118 TYR N N 119 117.704 117.704 121.118 -3.414 17842 10549 1 14 . 1 1 118 118 TYR C C 119 175.024 175.024 174.146 0.878 17842 10550 1 14 . 1 1 118 118 TYR CA C 119 55.968 55.968 56.587 -0.619 17842 10551 1 14 . 1 1 118 118 TYR CB C 119 41.089 41.089 40.172 0.917 17842 10552 1 14 . 1 1 118 118 TYR H H 119 8.406 8.406 7.887 0.519 17842 10553 1 14 . 1 1 119 119 ALA N N 120 122.050 122.050 129.373 -7.323 17842 10554 1 14 . 1 1 119 119 ALA C C 120 175.218 175.218 175.585 -0.367 17842 10555 1 14 . 1 1 119 119 ALA CA C 120 49.661 49.661 50.741 -1.080 17842 10556 1 14 . 1 1 119 119 ALA CB C 120 23.187 23.187 20.596 2.591 17842 10557 1 14 . 1 1 119 119 ALA H H 120 8.605 8.605 8.180 0.425 17842 10558 1 14 . 1 1 120 120 ALA N N 121 119.839 119.839 125.026 -5.187 17842 10559 1 14 . 1 1 120 120 ALA C C 121 175.881 175.881 175.716 0.165 17842 10560 1 14 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.196 -1.856 17842 10561 1 14 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.811 0.654 17842 10562 1 14 . 1 1 120 120 ALA H H 121 8.476 8.476 8.134 0.342 17842 10563 1 14 . 1 1 121 121 GLY N N 122 107.807 107.807 108.464 -0.657 17842 10564 1 14 . 1 1 121 121 GLY C C 122 171.191 171.191 172.177 -0.986 17842 10565 1 14 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.558 0.507 17842 10566 1 14 . 1 1 121 121 GLY H H 122 8.931 8.931 8.331 0.600 17842 10567 1 14 . 1 1 122 122 LEU N N 123 118.400 118.400 115.485 2.915 17842 10568 1 14 . 1 1 122 122 LEU C C 123 174.684 174.684 174.182 0.502 17842 10569 1 14 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.108 -0.881 17842 10570 1 14 . 1 1 122 122 LEU CB C 123 48.385 48.385 45.736 2.648 17842 10571 1 14 . 1 1 122 122 LEU H H 123 8.351 8.351 7.964 0.387 17842 10572 1 14 . 1 1 123 123 GLN N N 124 113.455 113.455 115.657 -2.202 17842 10573 1 14 . 1 1 123 123 GLN C C 124 173.895 173.895 173.426 0.469 17842 10574 1 14 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.212 -0.208 17842 10575 1 14 . 1 1 123 123 GLN CB C 124 28.135 28.135 32.736 -4.601 17842 10576 1 14 . 1 1 123 123 GLN H H 124 8.159 8.159 8.102 0.057 17842 10577 1 14 . 1 1 124 124 ALA N N 125 118.711 118.711 119.183 -0.472 17842 10578 1 14 . 1 1 124 124 ALA C C 125 174.962 174.962 174.074 0.888 17842 10579 1 14 . 1 1 124 124 ALA CA C 125 50.796 50.796 51.953 -1.157 17842 10580 1 14 . 1 1 124 124 ALA CB C 125 22.006 22.006 20.939 1.067 17842 10581 1 14 . 1 1 124 124 ALA H H 125 8.638 8.638 7.843 0.795 17842 10582 1 14 . 1 1 125 125 GLY N N 126 103.783 103.783 107.057 -3.274 17842 10583 1 14 . 1 1 125 125 GLY C C 126 170.390 170.390 171.917 -1.527 17842 10584 1 14 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.191 1.219 17842 10585 1 14 . 1 1 125 125 GLY H H 126 7.103 7.103 6.937 0.166 17842 10586 1 14 . 1 1 126 126 ILE N N 127 118.306 118.306 115.767 2.539 17842 10587 1 14 . 1 1 126 126 ILE C C 127 172.353 172.353 174.202 -1.849 17842 10588 1 14 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.509 -1.916 17842 10589 1 14 . 1 1 126 126 ILE CB C 127 42.164 42.164 40.980 1.185 17842 10590 1 14 . 1 1 126 126 ILE H H 127 8.564 8.564 8.285 0.279 17842 10591 1 14 . 1 1 127 127 LEU N N 128 129.339 129.339 127.839 1.500 17842 10592 1 14 . 1 1 127 127 LEU C C 128 173.613 173.613 176.478 -2.865 17842 10593 1 14 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.022 -0.494 17842 10594 1 14 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.017 3.787 17842 10595 1 14 . 1 1 127 127 LEU H H 128 9.236 9.236 8.345 0.891 17842 10596 1 14 . 1 1 128 128 GLN N N 129 126.801 126.801 124.182 2.619 17842 10597 1 14 . 1 1 128 128 GLN C C 129 175.093 175.093 175.279 -0.186 17842 10598 1 14 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.478 -1.284 17842 10599 1 14 . 1 1 128 128 GLN CB C 129 30.947 30.947 29.753 1.194 17842 10600 1 14 . 1 1 128 128 GLN H H 129 9.352 9.352 8.820 0.532 17842 10601 1 14 . 1 1 129 129 GLU N N 130 126.822 126.822 123.747 3.075 17842 10602 1 14 . 1 1 129 129 GLU C C 130 176.651 176.651 176.225 0.426 17842 10603 1 14 . 1 1 129 129 GLU CA C 130 56.181 56.181 57.300 -1.119 17842 10604 1 14 . 1 1 129 129 GLU CB C 130 27.761 27.761 30.279 -2.518 17842 10605 1 14 . 1 1 129 129 GLU H H 130 8.518 8.518 8.852 -0.334 17842 10606 1 14 . 1 1 130 130 LEU N N 131 126.031 126.031 124.727 1.304 17842 10607 1 14 . 1 1 130 130 LEU C C 131 176.044 176.044 176.579 -0.535 17842 10608 1 14 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.377 -0.202 17842 10609 1 14 . 1 1 130 130 LEU CB C 131 43.855 43.855 44.187 -0.332 17842 10610 1 14 . 1 1 130 130 LEU H H 131 8.708 8.708 8.301 0.407 17842 10611 1 14 . 1 1 131 131 SER N N 132 113.049 113.049 112.133 0.916 17842 10612 1 14 . 1 1 131 131 SER C C 132 174.092 174.092 172.835 1.257 17842 10613 1 14 . 1 1 131 131 SER CA C 132 55.993 55.993 57.737 -1.744 17842 10614 1 14 . 1 1 131 131 SER CB C 132 64.945 64.945 64.954 -0.008 17842 10615 1 14 . 1 1 131 131 SER H H 132 8.282 8.282 7.691 0.591 17842 10616 1 14 . 1 1 132 132 LYS C C 133 176.346 176.346 175.277 1.069 17842 10617 1 14 . 1 1 132 132 LYS CA C 133 58.497 58.497 57.019 1.478 17842 10618 1 14 . 1 1 132 132 LYS CB C 133 31.009 31.009 30.927 0.082 17842 10619 1 14 . 1 1 133 133 ASN N N 134 110.795 110.795 115.076 -4.281 17842 10620 1 14 . 1 1 133 133 ASN C C 134 173.897 173.897 173.096 0.801 17842 10621 1 14 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.945 -0.367 17842 10622 1 14 . 1 1 133 133 ASN CB C 134 40.830 40.830 39.825 1.005 17842 10623 1 14 . 1 1 133 133 ASN H H 134 7.761 7.761 8.510 -0.749 17842 10624 1 14 . 1 1 134 134 ALA N N 135 122.181 122.181 121.712 0.469 17842 10625 1 14 . 1 1 134 134 ALA C C 135 176.250 176.250 175.908 0.342 17842 10626 1 14 . 1 1 134 134 ALA CA C 135 51.157 51.157 50.857 0.300 17842 10627 1 14 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.746 0.387 17842 10628 1 14 . 1 1 134 134 ALA H H 135 7.562 7.562 7.890 -0.328 17842 10629 1 14 . 1 1 135 135 SER N N 136 114.617 114.617 113.716 0.901 17842 10630 1 14 . 1 1 135 135 SER C C 136 172.507 172.507 173.056 -0.549 17842 10631 1 14 . 1 1 135 135 SER CA C 136 56.164 56.164 56.318 -0.154 17842 10632 1 14 . 1 1 135 135 SER CB C 136 66.255 66.255 65.316 0.939 17842 10633 1 14 . 1 1 135 135 SER H H 136 8.717 8.717 7.887 0.830 17842 10634 1 14 . 1 1 136 136 ILE N N 137 114.495 114.495 120.263 -5.768 17842 10635 1 14 . 1 1 136 136 ILE C C 137 173.136 173.136 173.745 -0.609 17842 10636 1 14 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.223 -1.803 17842 10637 1 14 . 1 1 136 136 ILE CB C 137 42.700 42.700 42.469 0.231 17842 10638 1 14 . 1 1 136 136 ILE H H 137 8.592 8.592 8.336 0.256 17842 10639 1 14 . 1 1 137 137 GLU N N 138 122.016 122.016 124.917 -2.901 17842 10640 1 14 . 1 1 137 137 GLU C C 138 173.792 173.792 175.319 -1.527 17842 10641 1 14 . 1 1 137 137 GLU CA C 138 53.537 53.537 54.343 -0.806 17842 10642 1 14 . 1 1 137 137 GLU CB C 138 35.118 35.118 32.115 3.003 17842 10643 1 14 . 1 1 137 137 GLU H H 138 8.902 8.902 8.770 0.132 17842 10644 1 14 . 1 1 138 138 GLY N N 139 107.847 107.847 110.466 -2.619 17842 10645 1 14 . 1 1 138 138 GLY C C 139 171.817 171.817 172.792 -0.975 17842 10646 1 14 . 1 1 138 138 GLY CA C 139 44.070 44.070 44.943 -0.873 17842 10647 1 14 . 1 1 138 138 GLY H H 139 8.485 8.485 8.074 0.411 17842 10648 1 14 . 1 1 139 139 GLY N N 140 108.290 108.290 111.677 -3.387 17842 10649 1 14 . 1 1 139 139 GLY C C 140 169.172 169.172 171.862 -2.690 17842 10650 1 14 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.782 -0.068 17842 10651 1 14 . 1 1 139 139 GLY H H 140 7.841 7.841 8.517 -0.676 17842 10652 1 14 . 1 1 140 140 TYR N N 141 119.674 119.674 116.417 3.257 17842 10653 1 14 . 1 1 140 140 TYR C C 141 173.643 173.643 173.475 0.168 17842 10654 1 14 . 1 1 140 140 TYR CA C 141 55.179 55.179 54.980 0.199 17842 10655 1 14 . 1 1 140 140 TYR CB C 141 43.144 43.144 42.339 0.805 17842 10656 1 14 . 1 1 140 140 TYR H H 141 8.726 8.726 7.835 0.891 17842 10657 1 14 . 1 1 141 141 ARG N N 142 125.021 125.021 119.679 5.342 17842 10658 1 14 . 1 1 141 141 ARG C C 142 173.533 173.533 173.410 0.123 17842 10659 1 14 . 1 1 141 141 ARG CA C 142 53.813 53.813 55.329 -1.516 17842 10660 1 14 . 1 1 141 141 ARG CB C 142 33.239 33.239 34.807 -1.568 17842 10661 1 14 . 1 1 141 141 ARG H H 142 8.502 8.502 8.597 -0.095 17842 10662 1 14 . 1 1 142 142 TYR N N 143 128.805 128.805 122.759 6.046 17842 10663 1 14 . 1 1 142 142 TYR C C 143 173.475 173.475 174.638 -1.163 17842 10664 1 14 . 1 1 142 142 TYR CA C 143 56.428 56.428 57.214 -0.786 17842 10665 1 14 . 1 1 142 142 TYR CB C 143 41.642 41.642 42.336 -0.694 17842 10666 1 14 . 1 1 142 142 TYR H H 143 8.978 8.978 9.190 -0.212 17842 10667 1 14 . 1 1 143 143 LEU N N 144 125.513 125.513 125.765 -0.252 17842 10668 1 14 . 1 1 143 143 LEU C C 144 175.370 175.370 175.006 0.364 17842 10669 1 14 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.253 -1.360 17842 10670 1 14 . 1 1 143 143 LEU CB C 144 45.924 45.924 45.219 0.704 17842 10671 1 14 . 1 1 143 143 LEU H H 144 8.117 8.117 8.766 -0.649 17842 10672 1 14 . 1 1 144 144 ARG N N 145 122.193 122.193 123.095 -0.902 17842 10673 1 14 . 1 1 144 144 ARG C C 145 175.452 175.452 174.214 1.238 17842 10674 1 14 . 1 1 144 144 ARG CA C 145 54.077 54.077 56.038 -1.961 17842 10675 1 14 . 1 1 144 144 ARG CB C 145 31.377 31.377 33.561 -2.184 17842 10676 1 14 . 1 1 144 144 ARG H H 145 8.810 8.810 8.243 0.567 17842 10677 1 14 . 1 1 145 145 THR C C 146 172.708 172.708 174.058 -1.350 17842 10678 1 14 . 1 1 145 145 THR CA C 146 59.117 59.117 60.081 -0.964 17842 10679 1 14 . 1 1 145 145 THR CB C 146 70.345 70.345 70.557 -0.212 17842 10680 1 14 . 1 1 146 146 ASN N N 147 120.236 120.236 122.304 -2.068 17842 10681 1 14 . 1 1 146 146 ASN C C 147 175.341 175.341 174.815 0.526 17842 10682 1 14 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.233 -1.353 17842 10683 1 14 . 1 1 146 146 ASN CB C 147 38.462 38.462 40.636 -2.174 17842 10684 1 14 . 1 1 146 146 ASN H H 147 8.259 8.259 8.878 -0.619 17842 10685 1 14 . 1 1 147 147 ALA N N 148 124.724 124.724 128.345 -3.621 17842 10686 1 14 . 1 1 147 147 ALA C C 148 176.378 176.378 178.040 -1.662 17842 10687 1 14 . 1 1 147 147 ALA CA C 148 52.179 52.179 53.267 -1.088 17842 10688 1 14 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.300 -0.674 17842 10689 1 14 . 1 1 147 147 ALA H H 148 8.256 8.256 8.542 -0.286 17842 10690 1 14 . 1 1 148 148 SER N N 149 115.670 115.670 114.077 1.593 17842 10691 1 14 . 1 1 148 148 SER C C 149 174.123 174.123 173.656 0.467 17842 10692 1 14 . 1 1 148 148 SER CA C 149 57.281 57.281 58.000 -0.719 17842 10693 1 14 . 1 1 148 148 SER CB C 149 64.685 64.685 64.333 0.352 17842 10694 1 14 . 1 1 148 148 SER H H 149 8.372 8.372 8.049 0.323 17842 10695 1 14 . 1 1 149 149 THR N N 150 115.292 115.292 113.680 1.612 17842 10696 1 14 . 1 1 149 149 THR C C 150 173.858 173.858 174.645 -0.787 17842 10697 1 14 . 1 1 149 149 THR CA C 150 61.189 61.189 61.282 -0.093 17842 10698 1 14 . 1 1 149 149 THR CB C 150 69.105 69.105 70.348 -1.243 17842 10699 1 14 . 1 1 149 149 THR H H 150 8.228 8.228 8.191 0.037 17842 10700 1 14 . 1 1 150 150 GLU N N 151 123.244 123.244 122.912 0.332 17842 10701 1 14 . 1 1 150 150 GLU C C 151 176.121 176.121 177.019 -0.898 17842 10702 1 14 . 1 1 150 150 GLU CA C 151 56.002 56.002 55.617 0.385 17842 10703 1 14 . 1 1 150 150 GLU CB C 151 29.931 29.931 28.655 1.276 17842 10704 1 14 . 1 1 150 150 GLU H H 151 8.186 8.186 8.886 -0.700 17842 10705 1 14 . 1 1 151 151 MET N N 152 121.600 121.600 117.350 4.250 17842 10706 1 14 . 1 1 151 151 MET C C 152 175.810 175.810 175.518 0.292 17842 10707 1 14 . 1 1 151 151 MET CA C 152 55.254 55.254 58.426 -3.172 17842 10708 1 14 . 1 1 151 151 MET CB C 152 33.247 33.247 31.849 1.398 17842 10709 1 14 . 1 1 151 151 MET H H 152 8.248 8.248 8.093 0.155 17842 10710 1 14 . 1 1 152 152 THR N N 153 117.486 117.486 116.451 1.035 17842 10711 1 14 . 1 1 152 152 THR C C 153 172.907 172.907 173.357 -0.450 17842 10712 1 14 . 1 1 152 152 THR CA C 153 59.365 59.365 60.090 -0.725 17842 10713 1 14 . 1 1 152 152 THR CB C 153 69.366 69.366 68.759 0.607 17842 10714 1 14 . 1 1 152 152 THR H H 153 8.113 8.113 8.354 -0.241 17842 10715 1 14 . 1 1 155 155 GLY C C 156 174.620 174.620 174.295 0.325 17842 10716 1 14 . 1 1 155 155 GLY CA C 156 45.280 45.280 45.027 0.253 17842 10717 1 14 . 1 1 156 156 GLY N N 157 109.059 109.059 111.994 -2.935 17842 10718 1 14 . 1 1 156 156 GLY C C 157 173.801 173.801 174.432 -0.631 17842 10719 1 14 . 1 1 156 156 GLY CA C 157 44.929 44.929 44.746 0.183 17842 10720 1 14 . 1 1 156 156 GLY H H 157 8.175 8.175 8.340 -0.165 17842 10721 1 14 . 1 1 157 157 ASN N N 158 118.630 118.630 119.621 -0.991 17842 10722 1 14 . 1 1 157 157 ASN C C 158 175.025 175.025 174.516 0.509 17842 10723 1 14 . 1 1 157 157 ASN CA C 158 52.791 52.791 53.219 -0.428 17842 10724 1 14 . 1 1 157 157 ASN CB C 158 38.532 38.532 37.347 1.185 17842 10725 1 14 . 1 1 157 157 ASN H H 158 8.114 8.114 8.331 -0.216 17842 10726 1 14 . 1 1 158 158 LYS N N 159 121.755 121.755 123.099 -1.344 17842 10727 1 14 . 1 1 158 158 LYS C C 159 176.361 176.361 175.678 0.683 17842 10728 1 14 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.597 -0.125 17842 10729 1 14 . 1 1 158 158 LYS CB C 159 32.403 32.403 34.513 -2.110 17842 10730 1 14 . 1 1 158 158 LYS H H 159 8.169 8.169 8.298 -0.129 17842 10731 1 14 . 1 1 159 159 LEU N N 160 123.084 123.084 119.397 3.687 17842 10732 1 14 . 1 1 159 159 LEU C C 160 177.408 177.408 176.471 0.937 17842 10733 1 14 . 1 1 159 159 LEU CA C 160 55.162 55.162 55.334 -0.173 17842 10734 1 14 . 1 1 159 159 LEU CB C 160 42.690 42.690 43.516 -0.826 17842 10735 1 14 . 1 1 159 159 LEU H H 160 8.173 8.173 8.091 0.082 17842 10736 1 14 . 1 1 160 160 GLY N N 161 109.180 109.180 110.759 -1.579 17842 10737 1 14 . 1 1 160 160 GLY C C 161 173.574 173.574 173.182 0.392 17842 10738 1 14 . 1 1 160 160 GLY CA C 161 44.877 44.877 44.287 0.590 17842 10739 1 14 . 1 1 160 160 GLY H H 161 8.117 8.117 8.135 -0.018 17842 10740 1 14 . 1 1 161 161 SER N N 162 115.719 115.719 114.913 0.806 17842 10741 1 14 . 1 1 161 161 SER C C 162 173.715 173.715 174.005 -0.290 17842 10742 1 14 . 1 1 161 161 SER CA C 162 57.965 57.965 58.309 -0.344 17842 10743 1 14 . 1 1 161 161 SER CB C 162 63.856 63.856 63.735 0.121 17842 10744 1 14 . 1 1 161 161 SER H H 162 8.064 8.064 8.231 -0.167 17842 10745 1 14 . 1 1 162 162 LEU N N 163 123.433 123.433 126.841 -3.408 17842 10746 1 14 . 1 1 162 162 LEU C C 163 175.609 175.609 176.569 -0.960 17842 10747 1 14 . 1 1 162 162 LEU CA C 163 54.385 54.385 54.668 -0.283 17842 10748 1 14 . 1 1 162 162 LEU CB C 163 43.046 43.046 43.580 -0.534 17842 10749 1 14 . 1 1 162 162 LEU H H 163 8.282 8.282 8.607 -0.325 17842 10750 1 14 . 1 1 163 163 ASP N N 164 122.223 122.223 123.749 -1.526 17842 10751 1 14 . 1 1 163 163 ASP C C 164 175.122 175.122 175.970 -0.848 17842 10752 1 14 . 1 1 163 163 ASP CA C 164 53.400 53.400 55.878 -2.478 17842 10753 1 14 . 1 1 163 163 ASP CB C 164 41.200 41.200 40.883 0.317 17842 10754 1 14 . 1 1 163 163 ASP H H 164 8.356 8.356 8.676 -0.320 17842 10755 1 14 . 1 1 166 166 SER C C 167 172.472 172.472 173.789 -1.317 17842 10756 1 14 . 1 1 166 166 SER CA C 167 56.760 56.760 58.731 -1.971 17842 10757 1 14 . 1 1 167 167 SER N N 168 115.939 115.939 114.884 1.055 17842 10758 1 14 . 1 1 167 167 SER C C 168 173.318 173.318 171.873 1.445 17842 10759 1 14 . 1 1 167 167 SER CA C 168 56.763 56.763 57.094 -0.331 17842 10760 1 14 . 1 1 167 167 SER CB C 168 65.286 65.286 64.818 0.468 17842 10761 1 14 . 1 1 167 167 SER H H 168 8.678 8.678 8.270 0.408 17842 10762 1 14 . 1 1 168 168 SER C C 169 172.500 172.500 174.368 -1.868 17842 10763 1 14 . 1 1 168 168 SER CA C 169 56.569 56.569 57.431 -0.862 17842 10764 1 14 . 1 1 168 168 SER CB C 169 65.738 65.738 64.145 1.593 17842 10765 1 14 . 1 1 169 169 GLN N N 170 122.951 122.951 123.952 -1.001 17842 10766 1 14 . 1 1 169 169 GLN C C 170 174.697 174.697 174.918 -0.221 17842 10767 1 14 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.544 -0.506 17842 10768 1 14 . 1 1 169 169 GLN CB C 170 32.383 32.383 32.623 -0.240 17842 10769 1 14 . 1 1 169 169 GLN H H 170 8.745 8.745 8.224 0.521 17842 10770 1 14 . 1 1 170 170 PHE N N 171 125.628 125.628 120.648 4.980 17842 10771 1 14 . 1 1 170 170 PHE C C 171 174.628 174.628 175.515 -0.887 17842 10772 1 14 . 1 1 170 170 PHE CA C 171 56.200 56.200 56.599 -0.399 17842 10773 1 14 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.395 -0.843 17842 10774 1 14 . 1 1 170 170 PHE H H 171 7.771 7.771 8.807 -1.036 17842 10775 1 14 . 1 1 171 171 TYR N N 172 121.558 121.558 122.626 -1.068 17842 10776 1 14 . 1 1 171 171 TYR C C 172 171.727 171.727 173.742 -2.015 17842 10777 1 14 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.317 -1.271 17842 10778 1 14 . 1 1 171 171 TYR CB C 172 42.439 42.439 41.421 1.018 17842 10779 1 14 . 1 1 171 171 TYR H H 172 8.696 8.696 9.091 -0.395 17842 10780 1 14 . 1 1 172 172 LEU N N 173 119.230 119.230 126.252 -7.022 17842 10781 1 14 . 1 1 172 172 LEU C C 173 176.352 176.352 174.925 1.427 17842 10782 1 14 . 1 1 172 172 LEU CA C 173 52.743 52.743 55.095 -2.352 17842 10783 1 14 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.538 -0.002 17842 10784 1 14 . 1 1 172 172 LEU H H 173 8.971 8.971 8.159 0.812 17842 10785 1 14 . 1 1 173 173 GLY N N 174 107.248 107.248 110.770 -3.522 17842 10786 1 14 . 1 1 173 173 GLY C C 174 170.680 170.680 172.005 -1.325 17842 10787 1 14 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.181 -1.261 17842 10788 1 14 . 1 1 173 173 GLY H H 174 9.085 9.085 9.083 0.002 17842 10789 1 14 . 1 1 174 174 ALA N N 175 121.461 121.461 121.296 0.165 17842 10790 1 14 . 1 1 174 174 ALA C C 175 174.546 174.546 175.151 -0.605 17842 10791 1 14 . 1 1 174 174 ALA CA C 175 50.312 50.312 49.995 0.317 17842 10792 1 14 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.166 -0.523 17842 10793 1 14 . 1 1 174 174 ALA H H 175 8.575 8.575 8.070 0.505 17842 10794 1 14 . 1 1 175 175 ASN N N 176 117.370 117.370 116.981 0.389 17842 10795 1 14 . 1 1 175 175 ASN C C 176 173.370 173.370 172.644 0.726 17842 10796 1 14 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.425 -1.826 17842 10797 1 14 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.858 -0.900 17842 10798 1 14 . 1 1 175 175 ASN H H 176 8.762 8.762 7.765 0.997 17842 10799 1 14 . 1 1 176 176 TYR N N 177 122.724 122.724 122.835 -0.111 17842 10800 1 14 . 1 1 176 176 TYR C C 177 173.924 173.924 175.871 -1.947 17842 10801 1 14 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.214 0.224 17842 10802 1 14 . 1 1 176 176 TYR CB C 177 42.401 42.401 39.126 3.275 17842 10803 1 14 . 1 1 176 176 TYR H H 177 9.570 9.570 8.859 0.711 17842 10804 1 14 . 1 1 177 177 LYS N N 178 127.067 127.067 123.619 3.448 17842 10805 1 14 . 1 1 177 177 LYS C C 178 174.336 174.336 174.916 -0.580 17842 10806 1 14 . 1 1 177 177 LYS CA C 178 54.243 54.243 54.931 -0.688 17842 10807 1 14 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.295 0.656 17842 10808 1 14 . 1 1 177 177 LYS H H 178 8.284 8.284 8.205 0.079 17842 10809 1 15 . 1 1 2 2 ASP N N 3 119.767 119.767 121.963 -2.196 17842 10810 1 15 . 1 1 2 2 ASP C C 3 175.809 175.809 175.060 0.749 17842 10811 1 15 . 1 1 2 2 ASP CA C 3 53.303 53.303 52.944 0.359 17842 10812 1 15 . 1 1 2 2 ASP CB C 3 42.915 42.915 44.995 -2.080 17842 10813 1 15 . 1 1 2 2 ASP H H 3 8.443 8.443 8.266 0.177 17842 10814 1 15 . 1 1 3 3 ASN N N 4 123.667 123.667 119.098 4.569 17842 10815 1 15 . 1 1 3 3 ASN C C 4 174.736 174.736 174.311 0.425 17842 10816 1 15 . 1 1 3 3 ASN CA C 4 52.911 52.911 53.443 -0.532 17842 10817 1 15 . 1 1 3 3 ASN CB C 4 39.160 39.160 41.408 -2.248 17842 10818 1 15 . 1 1 3 3 ASN H H 4 8.923 8.923 8.780 0.143 17842 10819 1 15 . 1 1 4 4 PHE N N 5 118.447 118.447 122.261 -3.814 17842 10820 1 15 . 1 1 4 4 PHE C C 5 172.331 172.331 173.673 -1.342 17842 10821 1 15 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.341 -1.289 17842 10822 1 15 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.846 -0.983 17842 10823 1 15 . 1 1 4 4 PHE H H 5 8.910 8.910 8.375 0.535 17842 10824 1 15 . 1 1 5 5 VAL N N 6 116.195 116.195 122.758 -6.563 17842 10825 1 15 . 1 1 5 5 VAL C C 6 174.144 174.144 174.287 -0.143 17842 10826 1 15 . 1 1 5 5 VAL CA C 6 58.529 58.529 61.081 -2.552 17842 10827 1 15 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.051 0.767 17842 10828 1 15 . 1 1 5 5 VAL H H 6 8.903 8.903 8.401 0.502 17842 10829 1 15 . 1 1 6 6 GLY N N 7 110.150 110.150 115.800 -5.650 17842 10830 1 15 . 1 1 6 6 GLY C C 7 170.825 170.825 171.795 -0.970 17842 10831 1 15 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.197 1.021 17842 10832 1 15 . 1 1 6 6 GLY H H 7 8.670 8.670 8.845 -0.175 17842 10833 1 15 . 1 1 7 7 LEU N N 8 120.059 120.059 120.053 0.006 17842 10834 1 15 . 1 1 7 7 LEU C C 8 175.596 175.596 174.735 0.861 17842 10835 1 15 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.373 -1.440 17842 10836 1 15 . 1 1 7 7 LEU CB C 8 47.663 47.663 47.196 0.467 17842 10837 1 15 . 1 1 7 7 LEU H H 8 8.562 8.562 7.768 0.794 17842 10838 1 15 . 1 1 8 8 THR N N 9 112.180 112.180 111.969 0.211 17842 10839 1 15 . 1 1 8 8 THR C C 9 172.942 172.942 172.335 0.607 17842 10840 1 15 . 1 1 8 8 THR CA C 9 59.539 59.539 61.572 -2.033 17842 10841 1 15 . 1 1 8 8 THR CB C 9 70.735 70.735 71.171 -0.436 17842 10842 1 15 . 1 1 8 8 THR H H 9 9.114 9.114 7.917 1.197 17842 10843 1 15 . 1 1 9 9 TRP N N 10 121.476 121.476 119.548 1.928 17842 10844 1 15 . 1 1 9 9 TRP C C 10 174.622 174.622 174.203 0.419 17842 10845 1 15 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.754 0.664 17842 10846 1 15 . 1 1 9 9 TRP CB C 10 31.877 31.877 30.798 1.079 17842 10847 1 15 . 1 1 9 9 TRP H H 10 9.022 9.022 8.016 1.006 17842 10848 1 15 . 1 1 10 10 GLY N N 11 112.750 112.750 109.629 3.121 17842 10849 1 15 . 1 1 10 10 GLY C C 11 171.655 171.655 172.500 -0.845 17842 10850 1 15 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.305 1.635 17842 10851 1 15 . 1 1 10 10 GLY H H 11 7.798 7.798 8.311 -0.513 17842 10852 1 15 . 1 1 11 11 GLU N N 12 117.292 117.292 120.821 -3.529 17842 10853 1 15 . 1 1 11 11 GLU C C 12 175.810 175.810 175.621 0.189 17842 10854 1 15 . 1 1 11 11 GLU CA C 12 53.743 53.743 56.062 -2.319 17842 10855 1 15 . 1 1 11 11 GLU CB C 12 31.361 31.361 30.990 0.371 17842 10856 1 15 . 1 1 11 11 GLU H H 12 8.223 8.223 8.757 -0.534 17842 10857 1 15 . 1 1 12 12 THR N N 13 123.477 123.477 116.459 7.018 17842 10858 1 15 . 1 1 12 12 THR C C 13 174.233 174.233 173.329 0.904 17842 10859 1 15 . 1 1 12 12 THR CA C 13 61.872 61.872 61.619 0.253 17842 10860 1 15 . 1 1 12 12 THR CB C 13 69.374 69.374 70.419 -1.045 17842 10861 1 15 . 1 1 12 12 THR H H 13 8.722 8.722 8.485 0.237 17842 10862 1 15 . 1 1 13 13 SER N N 14 122.220 122.220 119.293 2.927 17842 10863 1 15 . 1 1 13 13 SER C C 14 173.577 173.577 174.033 -0.456 17842 10864 1 15 . 1 1 13 13 SER CA C 14 56.934 56.934 58.303 -1.369 17842 10865 1 15 . 1 1 13 13 SER CB C 14 64.249 64.249 64.191 0.058 17842 10866 1 15 . 1 1 13 13 SER H H 14 9.225 9.225 8.509 0.716 17842 10867 1 15 . 1 1 14 14 ASN N N 15 125.159 125.159 125.383 -0.224 17842 10868 1 15 . 1 1 14 14 ASN C C 15 174.673 174.673 174.521 0.152 17842 10869 1 15 . 1 1 14 14 ASN CA C 15 51.888 51.888 52.859 -0.971 17842 10870 1 15 . 1 1 14 14 ASN CB C 15 39.777 39.777 38.664 1.113 17842 10871 1 15 . 1 1 14 14 ASN H H 15 8.745 8.745 8.481 0.264 17842 10872 1 15 . 1 1 15 15 ASN N N 16 120.330 120.330 123.117 -2.787 17842 10873 1 15 . 1 1 15 15 ASN C C 16 175.886 175.886 174.820 1.066 17842 10874 1 15 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.281 -0.501 17842 10875 1 15 . 1 1 15 15 ASN CB C 16 38.595 38.595 38.963 -0.368 17842 10876 1 15 . 1 1 15 15 ASN H H 16 8.494 8.494 8.359 0.135 17842 10877 1 15 . 1 1 20 20 LYS C C 21 176.705 176.705 176.449 0.256 17842 10878 1 15 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.826 -0.143 17842 10879 1 15 . 1 1 21 21 SER N N 22 115.966 115.966 114.011 1.955 17842 10880 1 15 . 1 1 21 21 SER C C 22 174.564 174.564 173.238 1.326 17842 10881 1 15 . 1 1 21 21 SER CA C 22 58.149 58.149 57.941 0.208 17842 10882 1 15 . 1 1 21 21 SER CB C 22 63.308 63.308 64.386 -1.078 17842 10883 1 15 . 1 1 21 21 SER H H 22 8.053 8.053 8.126 -0.073 17842 10884 1 15 . 1 1 22 22 LEU N N 23 123.751 123.751 124.450 -0.699 17842 10885 1 15 . 1 1 22 22 LEU C C 23 176.968 176.968 176.036 0.932 17842 10886 1 15 . 1 1 22 22 LEU CA C 23 55.269 55.269 55.062 0.207 17842 10887 1 15 . 1 1 22 22 LEU CB C 23 42.334 42.334 41.842 0.492 17842 10888 1 15 . 1 1 22 22 LEU H H 23 8.006 8.006 8.535 -0.529 17842 10889 1 15 . 1 1 23 23 ASN N N 24 118.937 118.937 119.199 -0.262 17842 10890 1 15 . 1 1 23 23 ASN C C 24 175.119 175.119 175.853 -0.734 17842 10891 1 15 . 1 1 23 23 ASN CA C 24 52.993 52.993 53.768 -0.775 17842 10892 1 15 . 1 1 23 23 ASN CB C 24 38.255 38.255 39.011 -0.756 17842 10893 1 15 . 1 1 23 23 ASN H H 24 8.136 8.136 8.302 -0.166 17842 10894 1 15 . 1 1 24 24 ARG N N 25 121.500 121.500 121.960 -0.460 17842 10895 1 15 . 1 1 24 24 ARG C C 25 175.849 175.849 175.006 0.843 17842 10896 1 15 . 1 1 24 24 ARG CA C 25 56.368 56.368 55.828 0.540 17842 10897 1 15 . 1 1 24 24 ARG CB C 25 30.366 30.366 30.925 -0.559 17842 10898 1 15 . 1 1 24 24 ARG H H 25 8.097 8.097 8.082 0.015 17842 10899 1 15 . 1 1 25 25 ASN N N 26 119.196 119.196 122.587 -3.391 17842 10900 1 15 . 1 1 25 25 ASN C C 26 175.122 175.122 173.804 1.318 17842 10901 1 15 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.635 -0.574 17842 10902 1 15 . 1 1 25 25 ASN CB C 26 38.291 38.291 40.417 -2.127 17842 10903 1 15 . 1 1 25 25 ASN H H 26 8.278 8.278 8.526 -0.248 17842 10904 1 15 . 1 1 26 26 LEU N N 27 122.352 122.352 118.397 3.955 17842 10905 1 15 . 1 1 26 26 LEU C C 27 176.903 176.903 174.556 2.347 17842 10906 1 15 . 1 1 26 26 LEU CA C 27 55.326 55.326 55.056 0.270 17842 10907 1 15 . 1 1 26 26 LEU CB C 27 42.186 42.186 41.616 0.570 17842 10908 1 15 . 1 1 26 26 LEU H H 27 7.992 7.992 8.328 -0.336 17842 10909 1 15 . 1 1 27 27 ASN N N 28 118.444 118.444 120.091 -1.647 17842 10910 1 15 . 1 1 27 27 ASN C C 28 174.754 174.754 174.209 0.545 17842 10911 1 15 . 1 1 27 27 ASN CA C 28 52.960 52.960 52.860 0.100 17842 10912 1 15 . 1 1 27 27 ASN CB C 28 38.419 38.419 40.380 -1.961 17842 10913 1 15 . 1 1 27 27 ASN H H 28 8.216 8.216 8.282 -0.066 17842 10914 1 15 . 1 1 28 28 SER N N 29 116.471 116.471 117.004 -0.533 17842 10915 1 15 . 1 1 28 28 SER C C 29 172.778 172.778 172.878 -0.100 17842 10916 1 15 . 1 1 28 28 SER CA C 29 55.982 55.982 56.944 -0.962 17842 10917 1 15 . 1 1 28 28 SER CB C 29 63.179 63.179 64.096 -0.917 17842 10918 1 15 . 1 1 28 28 SER H H 29 7.833 7.833 8.116 -0.283 17842 10919 1 15 . 1 1 29 29 PRO C C 30 176.535 176.535 176.081 0.454 17842 10920 1 15 . 1 1 29 29 PRO CA C 30 63.458 63.458 63.736 -0.279 17842 10921 1 15 . 1 1 29 29 PRO CB C 30 31.672 31.672 31.971 -0.299 17842 10922 1 15 . 1 1 30 30 ASN N N 31 118.189 118.189 115.551 2.638 17842 10923 1 15 . 1 1 30 30 ASN C C 31 175.075 175.075 173.908 1.167 17842 10924 1 15 . 1 1 30 30 ASN CA C 31 53.051 53.051 53.437 -0.386 17842 10925 1 15 . 1 1 30 30 ASN CB C 31 38.277 38.277 38.065 0.212 17842 10926 1 15 . 1 1 30 30 ASN H H 31 8.231 8.231 8.410 -0.179 17842 10927 1 15 . 1 1 31 31 LEU N N 32 122.838 122.838 122.622 0.216 17842 10928 1 15 . 1 1 31 31 LEU C C 32 176.800 176.800 176.250 0.550 17842 10929 1 15 . 1 1 31 31 LEU CA C 32 55.107 55.107 54.550 0.557 17842 10930 1 15 . 1 1 31 31 LEU CB C 32 42.291 42.291 43.551 -1.260 17842 10931 1 15 . 1 1 31 31 LEU H H 32 8.011 8.011 8.243 -0.232 17842 10932 1 15 . 1 1 32 32 ASP N N 33 120.740 120.740 123.747 -3.007 17842 10933 1 15 . 1 1 32 32 ASP C C 33 175.863 175.863 176.354 -0.491 17842 10934 1 15 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.378 -0.047 17842 10935 1 15 . 1 1 32 32 ASP CB C 33 40.758 40.758 42.010 -1.252 17842 10936 1 15 . 1 1 32 32 ASP H H 33 8.151 8.151 8.425 -0.274 17842 10937 1 15 . 1 1 33 33 LYS N N 34 120.746 120.746 120.426 0.320 17842 10938 1 15 . 1 1 33 33 LYS C C 34 175.912 175.912 175.126 0.786 17842 10939 1 15 . 1 1 33 33 LYS CA C 34 55.865 55.865 56.538 -0.673 17842 10940 1 15 . 1 1 33 33 LYS CB C 34 32.738 32.738 33.643 -0.905 17842 10941 1 15 . 1 1 33 33 LYS H H 34 7.933 7.933 8.307 -0.374 17842 10942 1 15 . 1 1 34 34 VAL N N 35 121.590 121.590 115.095 6.495 17842 10943 1 15 . 1 1 34 34 VAL C C 35 175.691 175.691 175.649 0.042 17842 10944 1 15 . 1 1 34 34 VAL CA C 35 62.186 62.186 62.420 -0.234 17842 10945 1 15 . 1 1 34 34 VAL CB C 35 32.591 32.591 33.082 -0.491 17842 10946 1 15 . 1 1 34 34 VAL H H 35 7.995 7.995 8.059 -0.064 17842 10947 1 15 . 1 1 35 35 ILE N N 36 124.025 124.025 122.728 1.297 17842 10948 1 15 . 1 1 35 35 ILE C C 36 175.266 175.266 174.582 0.684 17842 10949 1 15 . 1 1 35 35 ILE CA C 36 60.495 60.495 60.874 -0.379 17842 10950 1 15 . 1 1 35 35 ILE CB C 36 38.489 38.489 39.536 -1.047 17842 10951 1 15 . 1 1 35 35 ILE H H 36 8.034 8.034 7.788 0.246 17842 10952 1 15 . 1 1 36 36 ASP N N 37 125.860 125.860 128.951 -3.091 17842 10953 1 15 . 1 1 36 36 ASP C C 37 175.014 175.014 176.612 -1.598 17842 10954 1 15 . 1 1 36 36 ASP CA C 37 53.719 53.719 55.742 -2.023 17842 10955 1 15 . 1 1 36 36 ASP CB C 37 41.755 41.755 41.349 0.406 17842 10956 1 15 . 1 1 36 36 ASP H H 37 8.190 8.190 8.747 -0.557 17842 10957 1 15 . 1 1 37 37 ASN N N 38 120.770 120.770 114.132 6.638 17842 10958 1 15 . 1 1 37 37 ASN C C 38 174.821 174.821 173.704 1.117 17842 10959 1 15 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.933 -0.776 17842 10960 1 15 . 1 1 37 37 ASN CB C 38 38.663 38.663 38.269 0.394 17842 10961 1 15 . 1 1 37 37 ASN H H 38 8.334 8.334 8.577 -0.243 17842 10962 1 15 . 1 1 38 38 THR N N 39 115.976 115.976 111.105 4.871 17842 10963 1 15 . 1 1 38 38 THR C C 39 175.226 175.226 173.394 1.832 17842 10964 1 15 . 1 1 38 38 THR CA C 39 62.215 62.215 61.526 0.689 17842 10965 1 15 . 1 1 38 38 THR CB C 39 69.618 69.618 69.632 -0.014 17842 10966 1 15 . 1 1 38 38 THR H H 39 8.508 8.508 7.795 0.713 17842 10967 1 15 . 1 1 39 39 GLY N N 40 115.818 115.818 114.306 1.512 17842 10968 1 15 . 1 1 39 39 GLY C C 40 172.862 172.862 172.973 -0.111 17842 10969 1 15 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.963 0.205 17842 10970 1 15 . 1 1 39 39 GLY H H 40 8.819 8.819 8.031 0.788 17842 10971 1 15 . 1 1 40 40 THR N N 41 119.787 119.787 115.476 4.311 17842 10972 1 15 . 1 1 40 40 THR C C 41 172.914 172.914 173.354 -0.440 17842 10973 1 15 . 1 1 40 40 THR CA C 41 61.321 61.321 61.397 -0.076 17842 10974 1 15 . 1 1 40 40 THR CB C 41 71.499 71.499 71.100 0.399 17842 10975 1 15 . 1 1 40 40 THR H H 41 8.117 8.117 8.262 -0.145 17842 10976 1 15 . 1 1 41 41 TRP N N 42 128.090 128.090 125.989 2.101 17842 10977 1 15 . 1 1 41 41 TRP C C 42 174.627 174.627 175.404 -0.777 17842 10978 1 15 . 1 1 41 41 TRP CA C 42 55.122 55.122 57.001 -1.879 17842 10979 1 15 . 1 1 41 41 TRP CB C 42 31.905 31.905 33.160 -1.255 17842 10980 1 15 . 1 1 41 41 TRP H H 42 8.178 8.178 8.710 -0.532 17842 10981 1 15 . 1 1 42 42 GLY N N 43 109.883 109.883 110.881 -0.998 17842 10982 1 15 . 1 1 42 42 GLY C C 43 172.317 172.317 172.283 0.034 17842 10983 1 15 . 1 1 42 42 GLY CA C 43 44.176 44.176 44.700 -0.525 17842 10984 1 15 . 1 1 42 42 GLY H H 43 8.892 8.892 8.511 0.381 17842 10985 1 15 . 1 1 43 43 ILE N N 44 118.005 118.005 118.581 -0.576 17842 10986 1 15 . 1 1 43 43 ILE C C 44 173.071 173.071 173.837 -0.766 17842 10987 1 15 . 1 1 43 43 ILE CA C 44 58.606 58.606 60.327 -1.721 17842 10988 1 15 . 1 1 43 43 ILE CB C 44 42.130 42.130 42.470 -0.340 17842 10989 1 15 . 1 1 43 43 ILE H H 44 8.879 8.879 7.876 1.003 17842 10990 1 15 . 1 1 44 44 ARG N N 45 120.855 120.855 122.053 -1.198 17842 10991 1 15 . 1 1 44 44 ARG C C 45 174.942 174.942 174.703 0.239 17842 10992 1 15 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.133 -1.244 17842 10993 1 15 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.083 -0.131 17842 10994 1 15 . 1 1 44 44 ARG H H 45 8.708 8.708 9.074 -0.366 17842 10995 1 15 . 1 1 45 45 ALA N N 46 119.127 119.127 128.020 -8.893 17842 10996 1 15 . 1 1 45 45 ALA C C 46 175.693 175.693 175.344 0.349 17842 10997 1 15 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.121 -1.501 17842 10998 1 15 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.873 -0.091 17842 10999 1 15 . 1 1 45 45 ALA H H 46 8.419 8.419 8.453 -0.034 17842 11000 1 15 . 1 1 46 46 GLY N N 47 107.350 107.350 110.571 -3.221 17842 11001 1 15 . 1 1 46 46 GLY C C 47 171.353 171.353 171.695 -0.342 17842 11002 1 15 . 1 1 46 46 GLY CA C 47 45.630 45.630 45.638 -0.008 17842 11003 1 15 . 1 1 46 46 GLY H H 47 7.819 7.819 9.256 -1.437 17842 11004 1 15 . 1 1 47 47 GLN N N 48 118.061 118.061 117.032 1.029 17842 11005 1 15 . 1 1 47 47 GLN C C 48 173.671 173.671 173.833 -0.162 17842 11006 1 15 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.627 -0.262 17842 11007 1 15 . 1 1 47 47 GLN CB C 48 32.912 32.912 32.001 0.911 17842 11008 1 15 . 1 1 47 47 GLN H H 48 8.483 8.483 7.578 0.905 17842 11009 1 15 . 1 1 48 48 GLN N N 49 122.691 122.691 122.099 0.592 17842 11010 1 15 . 1 1 48 48 GLN C C 49 173.291 173.291 174.504 -1.213 17842 11011 1 15 . 1 1 48 48 GLN CA C 49 54.593 54.593 56.029 -1.435 17842 11012 1 15 . 1 1 48 48 GLN CB C 49 30.750 30.750 31.012 -0.262 17842 11013 1 15 . 1 1 48 48 GLN H H 49 9.319 9.319 9.079 0.240 17842 11014 1 15 . 1 1 49 49 PHE N N 50 126.379 126.379 122.123 4.256 17842 11015 1 15 . 1 1 49 49 PHE C C 50 175.918 175.918 176.095 -0.177 17842 11016 1 15 . 1 1 49 49 PHE CA C 50 55.013 55.013 56.756 -1.743 17842 11017 1 15 . 1 1 49 49 PHE CB C 50 39.974 39.974 41.968 -1.994 17842 11018 1 15 . 1 1 49 49 PHE H H 50 8.781 8.781 9.129 -0.348 17842 11019 1 15 . 1 1 50 50 GLU N N 51 121.087 121.087 119.477 1.610 17842 11020 1 15 . 1 1 50 50 GLU C C 51 178.452 178.452 177.040 1.412 17842 11021 1 15 . 1 1 50 50 GLU CA C 51 60.435 60.435 59.347 1.088 17842 11022 1 15 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.865 -1.179 17842 11023 1 15 . 1 1 50 50 GLU H H 51 8.975 8.975 8.910 0.065 17842 11024 1 15 . 1 1 51 51 GLN N N 52 111.198 111.198 115.517 -4.319 17842 11025 1 15 . 1 1 51 51 GLN C C 52 176.031 176.031 174.639 1.392 17842 11026 1 15 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.979 -0.143 17842 11027 1 15 . 1 1 51 51 GLN CB C 52 28.617 28.617 30.840 -2.223 17842 11028 1 15 . 1 1 51 51 GLN H H 52 7.955 7.955 8.432 -0.477 17842 11029 1 15 . 1 1 52 52 GLY N N 53 110.800 110.800 105.398 5.402 17842 11030 1 15 . 1 1 52 52 GLY C C 53 169.076 169.076 172.505 -3.429 17842 11031 1 15 . 1 1 52 52 GLY CA C 53 45.303 45.303 43.618 1.685 17842 11032 1 15 . 1 1 52 52 GLY H H 53 6.696 6.696 7.910 -1.214 17842 11033 1 15 . 1 1 53 53 ARG N N 54 111.857 111.857 117.370 -5.513 17842 11034 1 15 . 1 1 53 53 ARG C C 54 172.397 172.397 173.856 -1.459 17842 11035 1 15 . 1 1 53 53 ARG CA C 54 54.227 54.227 55.312 -1.085 17842 11036 1 15 . 1 1 53 53 ARG CB C 54 31.755 31.755 35.133 -3.378 17842 11037 1 15 . 1 1 53 53 ARG H H 54 8.216 8.216 8.903 -0.687 17842 11038 1 15 . 1 1 54 54 TYR N N 55 116.379 116.379 122.649 -6.270 17842 11039 1 15 . 1 1 54 54 TYR C C 55 175.461 175.461 174.629 0.832 17842 11040 1 15 . 1 1 54 54 TYR CA C 55 55.296 55.296 55.430 -0.134 17842 11041 1 15 . 1 1 54 54 TYR CB C 55 41.539 41.539 41.908 -0.369 17842 11042 1 15 . 1 1 54 54 TYR H H 55 8.477 8.477 8.720 -0.243 17842 11043 1 15 . 1 1 55 55 TYR N N 56 114.651 114.651 121.546 -6.895 17842 11044 1 15 . 1 1 55 55 TYR C C 56 173.431 173.431 173.421 0.010 17842 11045 1 15 . 1 1 55 55 TYR CA C 56 55.886 55.886 57.546 -1.660 17842 11046 1 15 . 1 1 55 55 TYR CB C 56 37.595 37.595 41.724 -4.128 17842 11047 1 15 . 1 1 55 55 TYR H H 56 8.221 8.221 8.354 -0.133 17842 11048 1 15 . 1 1 56 56 ALA N N 57 125.460 125.460 127.338 -1.878 17842 11049 1 15 . 1 1 56 56 ALA C C 57 175.737 175.737 176.328 -0.591 17842 11050 1 15 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.346 -1.198 17842 11051 1 15 . 1 1 56 56 ALA CB C 57 20.777 20.777 20.882 -0.105 17842 11052 1 15 . 1 1 56 56 ALA H H 57 9.034 9.034 8.619 0.415 17842 11053 1 15 . 1 1 57 57 THR N N 58 116.923 116.923 116.831 0.092 17842 11054 1 15 . 1 1 57 57 THR C C 58 173.462 173.462 173.757 -0.295 17842 11055 1 15 . 1 1 57 57 THR CA C 58 61.458 61.458 59.876 1.582 17842 11056 1 15 . 1 1 57 57 THR CB C 58 71.683 71.683 70.885 0.798 17842 11057 1 15 . 1 1 57 57 THR H H 58 8.907 8.907 8.862 0.045 17842 11058 1 15 . 1 1 58 58 TYR N N 59 126.784 126.784 129.246 -2.462 17842 11059 1 15 . 1 1 58 58 TYR C C 59 173.954 173.954 174.188 -0.234 17842 11060 1 15 . 1 1 58 58 TYR CA C 59 55.682 55.682 55.766 -0.084 17842 11061 1 15 . 1 1 58 58 TYR CB C 59 41.320 41.320 40.144 1.176 17842 11062 1 15 . 1 1 58 58 TYR H H 59 8.974 8.974 8.218 0.756 17842 11063 1 15 . 1 1 59 59 GLU N N 60 124.211 124.211 127.193 -2.982 17842 11064 1 15 . 1 1 59 59 GLU C C 60 173.989 173.989 175.738 -1.749 17842 11065 1 15 . 1 1 59 59 GLU CA C 60 52.924 52.924 55.247 -2.323 17842 11066 1 15 . 1 1 59 59 GLU CB C 60 33.742 33.742 32.977 0.765 17842 11067 1 15 . 1 1 59 59 GLU H H 60 8.049 8.049 8.788 -0.739 17842 11068 1 15 . 1 1 60 60 ASN N N 61 118.358 118.358 116.053 2.305 17842 11069 1 15 . 1 1 60 60 ASN C C 61 173.609 173.609 174.104 -0.495 17842 11070 1 15 . 1 1 60 60 ASN CA C 61 52.281 52.281 53.826 -1.545 17842 11071 1 15 . 1 1 60 60 ASN H H 61 8.155 8.155 8.565 -0.410 17842 11072 1 15 . 1 1 61 61 ILE C C 62 174.902 174.902 175.118 -0.216 17842 11073 1 15 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.560 0.420 17842 11074 1 15 . 1 1 61 61 ILE CB C 62 40.772 40.772 40.062 0.709 17842 11075 1 15 . 1 1 62 62 SER N N 63 121.368 121.368 118.689 2.679 17842 11076 1 15 . 1 1 62 62 SER C C 63 173.027 173.027 175.782 -2.755 17842 11077 1 15 . 1 1 62 62 SER CA C 63 57.295 57.295 59.776 -2.481 17842 11078 1 15 . 1 1 62 62 SER CB C 63 64.306 64.306 63.807 0.499 17842 11079 1 15 . 1 1 62 62 SER H H 63 8.339 8.339 8.871 -0.532 17842 11080 1 15 . 1 1 63 63 ASP N N 64 124.300 124.300 121.091 3.209 17842 11081 1 15 . 1 1 63 63 ASP C C 64 176.570 176.570 175.766 0.804 17842 11082 1 15 . 1 1 63 63 ASP CA C 64 53.291 53.291 55.343 -2.052 17842 11083 1 15 . 1 1 63 63 ASP CB C 64 42.484 42.484 40.159 2.325 17842 11084 1 15 . 1 1 63 63 ASP H H 64 8.596 8.596 8.543 0.053 17842 11085 1 15 . 1 1 64 64 THR N N 65 116.756 116.756 110.288 6.468 17842 11086 1 15 . 1 1 64 64 THR C C 65 175.975 175.975 174.169 1.806 17842 11087 1 15 . 1 1 64 64 THR CA C 65 61.608 61.608 62.835 -1.227 17842 11088 1 15 . 1 1 64 64 THR CB C 65 68.856 68.856 67.391 1.465 17842 11089 1 15 . 1 1 64 64 THR H H 65 8.581 8.581 8.050 0.531 17842 11090 1 15 . 1 1 65 65 SER N N 66 119.276 119.276 119.482 -0.206 17842 11091 1 15 . 1 1 65 65 SER CA C 66 59.728 59.728 60.690 -0.962 17842 11092 1 15 . 1 1 65 65 SER CB C 66 63.514 63.514 63.724 -0.210 17842 11093 1 15 . 1 1 65 65 SER H H 66 8.492 8.492 8.804 -0.312 17842 11094 1 15 . 1 1 66 66 SER C C 67 175.122 175.122 175.422 -0.300 17842 11095 1 15 . 1 1 66 66 SER CA C 67 58.554 58.554 58.852 -0.298 17842 11096 1 15 . 1 1 67 67 GLY N N 68 110.266 110.266 110.383 -0.117 17842 11097 1 15 . 1 1 67 67 GLY C C 68 173.832 173.832 173.423 0.409 17842 11098 1 15 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.767 0.440 17842 11099 1 15 . 1 1 67 67 GLY H H 68 8.184 8.184 8.414 -0.230 17842 11100 1 15 . 1 1 68 68 ASN N N 69 118.584 118.584 122.405 -3.821 17842 11101 1 15 . 1 1 68 68 ASN C C 69 174.239 174.239 174.510 -0.271 17842 11102 1 15 . 1 1 68 68 ASN CA C 69 52.730 52.730 53.084 -0.353 17842 11103 1 15 . 1 1 68 68 ASN CB C 69 38.938 38.938 39.094 -0.156 17842 11104 1 15 . 1 1 68 68 ASN H H 69 7.972 7.972 8.515 -0.543 17842 11105 1 15 . 1 1 72 72 GLN C C 73 173.610 173.610 173.837 -0.227 17842 11106 1 15 . 1 1 72 72 GLN CA C 73 53.449 53.449 54.606 -1.157 17842 11107 1 15 . 1 1 73 73 GLN N N 74 123.659 123.659 121.877 1.782 17842 11108 1 15 . 1 1 73 73 GLN C C 74 173.276 173.276 173.907 -0.631 17842 11109 1 15 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.127 -0.583 17842 11110 1 15 . 1 1 73 73 GLN CB C 74 34.344 34.344 32.872 1.472 17842 11111 1 15 . 1 1 73 73 GLN H H 74 8.697 8.697 8.408 0.289 17842 11112 1 15 . 1 1 74 74 ASN N N 75 118.720 118.720 121.996 -3.276 17842 11113 1 15 . 1 1 74 74 ASN C C 75 173.733 173.733 173.279 0.454 17842 11114 1 15 . 1 1 74 74 ASN CA C 75 50.269 50.269 53.419 -3.150 17842 11115 1 15 . 1 1 74 74 ASN CB C 75 40.070 40.070 42.307 -2.237 17842 11116 1 15 . 1 1 74 74 ASN H H 75 8.295 8.295 8.439 -0.144 17842 11117 1 15 . 1 1 75 75 LEU N N 76 124.353 124.353 126.478 -2.125 17842 11118 1 15 . 1 1 75 75 LEU C C 76 174.267 174.267 174.329 -0.062 17842 11119 1 15 . 1 1 75 75 LEU CA C 76 53.916 53.916 54.170 -0.254 17842 11120 1 15 . 1 1 75 75 LEU CB C 76 44.633 44.633 45.000 -0.367 17842 11121 1 15 . 1 1 75 75 LEU H H 76 8.847 8.847 8.139 0.708 17842 11122 1 15 . 1 1 76 76 LEU N N 77 124.437 124.437 121.821 2.616 17842 11123 1 15 . 1 1 76 76 LEU C C 77 175.188 175.188 174.644 0.544 17842 11124 1 15 . 1 1 76 76 LEU CA C 77 52.934 52.934 53.631 -0.697 17842 11125 1 15 . 1 1 76 76 LEU CB C 77 45.115 45.115 45.638 -0.523 17842 11126 1 15 . 1 1 76 76 LEU H H 77 9.222 9.222 8.173 1.049 17842 11127 1 15 . 1 1 77 77 GLY N N 78 107.288 107.288 107.646 -0.358 17842 11128 1 15 . 1 1 77 77 GLY C C 78 171.733 171.733 172.909 -1.176 17842 11129 1 15 . 1 1 77 77 GLY CA C 78 44.160 44.160 43.895 0.265 17842 11130 1 15 . 1 1 77 77 GLY H H 78 9.132 9.132 9.014 0.118 17842 11131 1 15 . 1 1 78 78 SER N N 79 117.437 117.437 120.471 -3.034 17842 11132 1 15 . 1 1 78 78 SER C C 79 171.279 171.279 172.994 -1.715 17842 11133 1 15 . 1 1 78 78 SER CA C 79 57.272 57.272 56.831 0.441 17842 11134 1 15 . 1 1 78 78 SER CB C 79 65.596 65.596 65.489 0.107 17842 11135 1 15 . 1 1 78 78 SER H H 79 8.210 8.210 8.685 -0.475 17842 11136 1 15 . 1 1 79 79 TYR N N 80 122.901 122.901 127.173 -4.272 17842 11137 1 15 . 1 1 79 79 TYR C C 80 173.757 173.757 173.664 0.093 17842 11138 1 15 . 1 1 79 79 TYR CA C 80 56.243 56.243 57.133 -0.890 17842 11139 1 15 . 1 1 79 79 TYR CB C 80 42.570 42.570 41.453 1.117 17842 11140 1 15 . 1 1 79 79 TYR H H 80 8.092 8.092 9.323 -1.231 17842 11141 1 15 . 1 1 80 80 ASP N N 81 122.808 122.808 125.642 -2.834 17842 11142 1 15 . 1 1 80 80 ASP C C 81 173.607 173.607 173.695 -0.088 17842 11143 1 15 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.412 0.253 17842 11144 1 15 . 1 1 80 80 ASP CB C 81 45.787 45.787 44.777 1.010 17842 11145 1 15 . 1 1 80 80 ASP H H 81 8.268 8.268 8.576 -0.308 17842 11146 1 15 . 1 1 81 81 ALA N N 82 121.201 121.201 120.436 0.765 17842 11147 1 15 . 1 1 81 81 ALA C C 82 177.094 177.094 176.540 0.554 17842 11148 1 15 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.856 -1.111 17842 11149 1 15 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.227 1.284 17842 11150 1 15 . 1 1 81 81 ALA H H 82 8.931 8.931 8.095 0.836 17842 11151 1 15 . 1 1 82 82 PHE N N 83 116.305 116.305 122.269 -5.964 17842 11152 1 15 . 1 1 82 82 PHE C C 83 176.299 176.299 173.892 2.407 17842 11153 1 15 . 1 1 82 82 PHE CA C 83 52.664 52.664 56.117 -3.453 17842 11154 1 15 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.165 0.956 17842 11155 1 15 . 1 1 82 82 PHE H H 83 7.404 7.404 7.980 -0.576 17842 11156 1 15 . 1 1 83 83 LEU N N 84 122.208 122.208 121.365 0.843 17842 11157 1 15 . 1 1 83 83 LEU C C 84 173.599 173.599 174.481 -0.882 17842 11158 1 15 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.450 -0.576 17842 11159 1 15 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.098 -0.732 17842 11160 1 15 . 1 1 83 83 LEU H H 84 9.049 9.049 8.496 0.553 17842 11161 1 15 . 1 1 84 84 PRO C C 85 175.877 175.877 176.130 -0.253 17842 11162 1 15 . 1 1 84 84 PRO CA C 85 63.041 63.041 62.890 0.151 17842 11163 1 15 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.377 0.109 17842 11164 1 15 . 1 1 85 85 ILE N N 86 119.588 119.588 124.714 -5.126 17842 11165 1 15 . 1 1 85 85 ILE C C 86 175.749 175.749 175.163 0.586 17842 11166 1 15 . 1 1 85 85 ILE CA C 86 59.267 59.267 61.259 -1.992 17842 11167 1 15 . 1 1 85 85 ILE CB C 86 39.835 39.835 40.438 -0.603 17842 11168 1 15 . 1 1 85 85 ILE H H 86 8.205 8.205 8.174 0.031 17842 11169 1 15 . 1 1 86 86 GLY N N 87 112.396 112.396 115.569 -3.173 17842 11170 1 15 . 1 1 86 86 GLY C C 87 174.218 174.218 173.659 0.559 17842 11171 1 15 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.462 0.230 17842 11172 1 15 . 1 1 86 86 GLY H H 87 8.364 8.364 8.612 -0.248 17842 11173 1 15 . 1 1 87 87 ASP N N 88 122.109 122.109 122.621 -0.512 17842 11174 1 15 . 1 1 87 87 ASP C C 88 175.839 175.839 176.167 -0.328 17842 11175 1 15 . 1 1 87 87 ASP CA C 88 53.535 53.535 53.273 0.262 17842 11176 1 15 . 1 1 87 87 ASP CB C 88 41.132 41.132 41.479 -0.347 17842 11177 1 15 . 1 1 87 87 ASP H H 88 8.249 8.249 7.999 0.250 17842 11178 1 15 . 1 1 88 88 ASN N N 89 116.308 116.308 115.841 0.467 17842 11179 1 15 . 1 1 88 88 ASN C C 89 175.100 175.100 174.128 0.972 17842 11180 1 15 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.537 -0.615 17842 11181 1 15 . 1 1 88 88 ASN CB C 89 38.183 38.183 37.091 1.092 17842 11182 1 15 . 1 1 88 88 ASN H H 89 8.449 8.449 8.978 -0.529 17842 11183 1 15 . 1 1 89 89 ASN N N 90 115.987 115.987 113.799 2.188 17842 11184 1 15 . 1 1 89 89 ASN C C 90 173.909 173.909 175.187 -1.278 17842 11185 1 15 . 1 1 89 89 ASN CA C 90 54.386 54.386 53.952 0.434 17842 11186 1 15 . 1 1 89 89 ASN CB C 90 37.657 37.657 40.319 -2.662 17842 11187 1 15 . 1 1 89 89 ASN H H 90 8.477 8.477 8.402 0.075 17842 11188 1 15 . 1 1 90 90 THR N N 91 116.991 116.991 115.026 1.965 17842 11189 1 15 . 1 1 90 90 THR C C 91 173.763 173.763 174.183 -0.420 17842 11190 1 15 . 1 1 90 90 THR CA C 91 62.170 62.170 63.039 -0.869 17842 11191 1 15 . 1 1 90 90 THR CB C 91 68.706 68.706 69.605 -0.899 17842 11192 1 15 . 1 1 90 90 THR H H 91 7.600 7.600 7.744 -0.144 17842 11193 1 15 . 1 1 91 91 LYS N N 92 124.349 124.349 123.075 1.274 17842 11194 1 15 . 1 1 91 91 LYS C C 92 175.815 175.815 176.544 -0.729 17842 11195 1 15 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.392 -0.986 17842 11196 1 15 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.983 0.515 17842 11197 1 15 . 1 1 91 91 LYS H H 92 9.249 9.249 8.522 0.727 17842 11198 1 15 . 1 1 92 92 LEU N N 93 123.462 123.462 128.439 -4.977 17842 11199 1 15 . 1 1 92 92 LEU C C 93 176.260 176.260 175.801 0.459 17842 11200 1 15 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.345 -1.516 17842 11201 1 15 . 1 1 92 92 LEU CB C 93 43.614 43.614 42.150 1.464 17842 11202 1 15 . 1 1 92 92 LEU H H 93 8.650 8.650 8.378 0.272 17842 11203 1 15 . 1 1 93 93 PHE N N 94 119.497 119.497 122.259 -2.762 17842 11204 1 15 . 1 1 93 93 PHE C C 94 173.154 173.154 175.225 -2.071 17842 11205 1 15 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.260 0.876 17842 11206 1 15 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.087 2.006 17842 11207 1 15 . 1 1 93 93 PHE H H 94 8.485 8.485 7.282 1.203 17842 11208 1 15 . 1 1 94 94 GLY N N 95 105.945 105.945 106.924 -0.979 17842 11209 1 15 . 1 1 94 94 GLY C C 95 171.815 171.815 172.671 -0.856 17842 11210 1 15 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.541 -1.159 17842 11211 1 15 . 1 1 94 94 GLY H H 95 8.256 8.256 8.276 -0.020 17842 11212 1 15 . 1 1 95 95 GLY N N 96 110.432 110.432 110.271 0.161 17842 11213 1 15 . 1 1 95 95 GLY C C 96 171.826 171.826 172.001 -0.175 17842 11214 1 15 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.994 0.892 17842 11215 1 15 . 1 1 95 95 GLY H H 96 9.005 9.005 8.676 0.329 17842 11216 1 15 . 1 1 96 96 ALA N N 97 117.509 117.509 121.441 -3.932 17842 11217 1 15 . 1 1 96 96 ALA C C 97 176.928 176.928 175.041 1.887 17842 11218 1 15 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.289 -0.888 17842 11219 1 15 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.756 0.668 17842 11220 1 15 . 1 1 96 96 ALA H H 97 8.039 8.039 8.334 -0.295 17842 11221 1 15 . 1 1 97 97 THR N N 98 118.891 118.891 113.770 5.121 17842 11222 1 15 . 1 1 97 97 THR C C 98 172.492 172.492 173.256 -0.764 17842 11223 1 15 . 1 1 97 97 THR CA C 98 61.730 61.730 59.987 1.743 17842 11224 1 15 . 1 1 97 97 THR CB C 98 73.046 73.046 70.817 2.229 17842 11225 1 15 . 1 1 97 97 THR H H 98 8.379 8.379 8.295 0.084 17842 11226 1 15 . 1 1 98 98 LEU N N 99 124.958 124.958 121.462 3.496 17842 11227 1 15 . 1 1 98 98 LEU C C 99 175.753 175.753 174.756 0.997 17842 11228 1 15 . 1 1 98 98 LEU CA C 99 53.474 53.474 54.298 -0.824 17842 11229 1 15 . 1 1 98 98 LEU CB C 99 47.243 47.243 45.209 2.034 17842 11230 1 15 . 1 1 98 98 LEU H H 99 8.880 8.880 8.489 0.391 17842 11231 1 15 . 1 1 99 99 GLY N N 100 106.645 106.645 109.664 -3.019 17842 11232 1 15 . 1 1 99 99 GLY C C 100 169.886 169.886 172.091 -2.205 17842 11233 1 15 . 1 1 99 99 GLY CA C 100 46.631 46.631 44.890 1.741 17842 11234 1 15 . 1 1 99 99 GLY H H 100 8.635 8.635 8.880 -0.245 17842 11235 1 15 . 1 1 100 100 LEU N N 101 121.823 121.823 119.576 2.247 17842 11236 1 15 . 1 1 100 100 LEU C C 101 174.876 174.876 174.628 0.248 17842 11237 1 15 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.715 -1.644 17842 11238 1 15 . 1 1 100 100 LEU CB C 101 46.646 46.646 47.005 -0.359 17842 11239 1 15 . 1 1 100 100 LEU H H 101 9.088 9.088 8.771 0.317 17842 11240 1 15 . 1 1 101 101 VAL N N 102 118.857 118.857 124.608 -5.751 17842 11241 1 15 . 1 1 101 101 VAL C C 102 174.015 174.015 173.804 0.211 17842 11242 1 15 . 1 1 101 101 VAL CA C 102 59.666 59.666 59.947 -0.281 17842 11243 1 15 . 1 1 101 101 VAL CB C 102 35.406 35.406 35.141 0.265 17842 11244 1 15 . 1 1 101 101 VAL H H 102 8.291 8.291 8.845 -0.554 17842 11245 1 15 . 1 1 102 102 LYS N N 103 126.552 126.552 127.535 -0.983 17842 11246 1 15 . 1 1 102 102 LYS C C 103 174.712 174.712 174.362 0.350 17842 11247 1 15 . 1 1 102 102 LYS CA C 103 54.433 54.433 53.928 0.505 17842 11248 1 15 . 1 1 102 102 LYS CB C 103 35.733 35.733 36.525 -0.791 17842 11249 1 15 . 1 1 102 102 LYS H H 103 9.141 9.141 8.174 0.967 17842 11250 1 15 . 1 1 103 103 LEU N N 104 129.605 129.605 124.749 4.856 17842 11251 1 15 . 1 1 103 103 LEU C C 104 175.344 175.344 174.802 0.542 17842 11252 1 15 . 1 1 103 103 LEU CA C 104 53.492 53.492 54.042 -0.550 17842 11253 1 15 . 1 1 103 103 LEU CB C 104 45.004 45.004 45.674 -0.670 17842 11254 1 15 . 1 1 103 103 LEU H H 104 8.921 8.921 8.210 0.711 17842 11255 1 15 . 1 1 104 104 GLU C C 105 174.715 174.715 175.123 -0.408 17842 11256 1 15 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.289 -0.663 17842 11257 1 15 . 1 1 104 104 GLU CB C 105 33.055 33.055 32.269 0.786 17842 11258 1 15 . 1 1 105 105 GLN N N 106 121.991 121.991 123.175 -1.184 17842 11259 1 15 . 1 1 105 105 GLN C C 106 175.002 175.002 175.896 -0.894 17842 11260 1 15 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.456 -0.777 17842 11261 1 15 . 1 1 105 105 GLN CB C 106 30.252 30.252 29.833 0.419 17842 11262 1 15 . 1 1 105 105 GLN H H 106 8.532 8.532 8.721 -0.189 17842 11263 1 15 . 1 1 106 106 ASP N N 107 123.884 123.884 120.282 3.602 17842 11264 1 15 . 1 1 106 106 ASP C C 107 176.352 176.352 177.841 -1.489 17842 11265 1 15 . 1 1 106 106 ASP CA C 107 54.108 54.108 56.041 -1.933 17842 11266 1 15 . 1 1 106 106 ASP CB C 107 41.448 41.448 40.906 0.542 17842 11267 1 15 . 1 1 106 106 ASP H H 107 8.414 8.414 8.573 -0.159 17842 11268 1 15 . 1 1 107 107 GLY N N 108 110.294 110.294 108.470 1.824 17842 11269 1 15 . 1 1 107 107 GLY C C 108 174.111 174.111 175.068 -0.957 17842 11270 1 15 . 1 1 107 107 GLY CA C 108 44.992 44.992 45.183 -0.191 17842 11271 1 15 . 1 1 107 107 GLY H H 108 8.226 8.226 8.536 -0.310 17842 11272 1 15 . 1 1 108 108 LYS N N 109 121.045 121.045 120.694 0.351 17842 11273 1 15 . 1 1 108 108 LYS C C 109 176.988 176.988 176.400 0.588 17842 11274 1 15 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.336 -0.093 17842 11275 1 15 . 1 1 108 108 LYS CB C 109 31.957 31.957 33.032 -1.075 17842 11276 1 15 . 1 1 108 108 LYS H H 109 8.130 8.130 8.308 -0.178 17842 11277 1 15 . 1 1 109 109 GLY N N 110 109.975 109.975 108.308 1.667 17842 11278 1 15 . 1 1 109 109 GLY C C 110 173.856 173.856 173.905 -0.049 17842 11279 1 15 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.913 0.056 17842 11280 1 15 . 1 1 109 109 GLY H H 110 8.313 8.313 8.106 0.207 17842 11281 1 15 . 1 1 110 110 PHE N N 111 119.873 119.873 121.269 -1.396 17842 11282 1 15 . 1 1 110 110 PHE C C 111 175.195 175.195 176.204 -1.009 17842 11283 1 15 . 1 1 110 110 PHE CA C 111 57.334 57.334 57.180 0.154 17842 11284 1 15 . 1 1 110 110 PHE CB C 111 39.311 39.311 40.574 -1.263 17842 11285 1 15 . 1 1 110 110 PHE H H 111 7.848 7.848 8.068 -0.220 17842 11286 1 15 . 1 1 111 111 LYS N N 112 122.900 122.900 124.655 -1.755 17842 11287 1 15 . 1 1 111 111 LYS C C 112 175.898 175.898 176.160 -0.262 17842 11288 1 15 . 1 1 111 111 LYS CA C 112 55.928 55.928 56.617 -0.689 17842 11289 1 15 . 1 1 111 111 LYS CB C 112 32.741 32.741 31.321 1.420 17842 11290 1 15 . 1 1 111 111 LYS H H 112 8.073 8.073 7.997 0.076 17842 11291 1 15 . 1 1 112 112 ARG N N 113 123.302 123.302 120.822 2.480 17842 11292 1 15 . 1 1 112 112 ARG C C 113 175.762 175.762 174.613 1.149 17842 11293 1 15 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.854 -0.977 17842 11294 1 15 . 1 1 112 112 ARG CB C 113 30.678 30.678 31.069 -0.391 17842 11295 1 15 . 1 1 112 112 ARG H H 113 8.277 8.277 8.228 0.049 17842 11296 1 15 . 1 1 113 113 ASP N N 114 122.193 122.193 119.983 2.210 17842 11297 1 15 . 1 1 113 113 ASP C C 114 175.875 175.875 175.969 -0.094 17842 11298 1 15 . 1 1 113 113 ASP CA C 114 54.219 54.219 54.364 -0.145 17842 11299 1 15 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.892 -0.613 17842 11300 1 15 . 1 1 113 113 ASP H H 114 8.300 8.300 8.029 0.271 17842 11301 1 15 . 1 1 114 114 SER N N 115 114.844 114.844 117.998 -3.154 17842 11302 1 15 . 1 1 114 114 SER C C 115 173.567 173.567 175.446 -1.879 17842 11303 1 15 . 1 1 114 114 SER CA C 115 57.538 57.538 61.368 -3.830 17842 11304 1 15 . 1 1 114 114 SER CB C 115 64.306 64.306 62.880 1.426 17842 11305 1 15 . 1 1 114 114 SER H H 115 8.071 8.071 8.854 -0.783 17842 11306 1 15 . 1 1 115 115 ASP N N 116 122.371 122.371 121.039 1.332 17842 11307 1 15 . 1 1 115 115 ASP C C 116 175.096 175.096 175.079 0.017 17842 11308 1 15 . 1 1 115 115 ASP CA C 116 53.960 53.960 56.899 -2.939 17842 11309 1 15 . 1 1 115 115 ASP CB C 116 42.394 42.394 40.752 1.643 17842 11310 1 15 . 1 1 115 115 ASP H H 116 8.400 8.400 8.400 0.000 17842 11311 1 15 . 1 1 116 116 VAL N N 117 120.462 120.462 119.199 1.263 17842 11312 1 15 . 1 1 116 116 VAL C C 117 175.349 175.349 175.170 0.179 17842 11313 1 15 . 1 1 116 116 VAL CA C 117 60.785 60.785 60.825 -0.041 17842 11314 1 15 . 1 1 116 116 VAL CB C 117 33.507 33.507 35.320 -1.813 17842 11315 1 15 . 1 1 116 116 VAL H H 117 8.014 8.014 8.133 -0.119 17842 11316 1 15 . 1 1 117 117 GLY N N 118 112.807 112.807 113.048 -0.241 17842 11317 1 15 . 1 1 117 117 GLY C C 118 172.079 172.079 172.075 0.004 17842 11318 1 15 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.822 -1.567 17842 11319 1 15 . 1 1 117 117 GLY H H 118 8.871 8.871 8.174 0.697 17842 11320 1 15 . 1 1 118 118 TYR N N 119 117.704 117.704 125.884 -8.180 17842 11321 1 15 . 1 1 118 118 TYR C C 119 175.024 175.024 174.485 0.539 17842 11322 1 15 . 1 1 118 118 TYR CA C 119 55.968 55.968 57.747 -1.779 17842 11323 1 15 . 1 1 118 118 TYR CB C 119 41.089 41.089 38.926 2.163 17842 11324 1 15 . 1 1 118 118 TYR H H 119 8.406 8.406 8.789 -0.383 17842 11325 1 15 . 1 1 119 119 ALA N N 120 122.050 122.050 130.040 -7.990 17842 11326 1 15 . 1 1 119 119 ALA C C 120 175.218 175.218 175.567 -0.349 17842 11327 1 15 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.968 -0.307 17842 11328 1 15 . 1 1 119 119 ALA CB C 120 23.187 23.187 21.611 1.576 17842 11329 1 15 . 1 1 119 119 ALA H H 120 8.605 8.605 7.627 0.978 17842 11330 1 15 . 1 1 120 120 ALA N N 121 119.839 119.839 125.439 -5.600 17842 11331 1 15 . 1 1 120 120 ALA C C 121 175.881 175.881 175.863 0.018 17842 11332 1 15 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.411 -2.071 17842 11333 1 15 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.910 0.555 17842 11334 1 15 . 1 1 120 120 ALA H H 121 8.476 8.476 8.071 0.405 17842 11335 1 15 . 1 1 121 121 GLY N N 122 107.807 107.807 108.255 -0.448 17842 11336 1 15 . 1 1 121 121 GLY C C 122 171.191 171.191 172.062 -0.871 17842 11337 1 15 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.911 0.154 17842 11338 1 15 . 1 1 121 121 GLY H H 122 8.931 8.931 8.403 0.528 17842 11339 1 15 . 1 1 122 122 LEU N N 123 118.400 118.400 119.988 -1.588 17842 11340 1 15 . 1 1 122 122 LEU C C 123 174.684 174.684 174.494 0.190 17842 11341 1 15 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.019 -0.791 17842 11342 1 15 . 1 1 122 122 LEU CB C 123 48.385 48.385 47.082 1.303 17842 11343 1 15 . 1 1 122 122 LEU H H 123 8.351 8.351 8.213 0.138 17842 11344 1 15 . 1 1 123 123 GLN N N 124 113.455 113.455 116.921 -3.466 17842 11345 1 15 . 1 1 123 123 GLN C C 124 173.895 173.895 173.806 0.089 17842 11346 1 15 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.994 -0.990 17842 11347 1 15 . 1 1 123 123 GLN CB C 124 28.135 28.135 32.581 -4.446 17842 11348 1 15 . 1 1 123 123 GLN H H 124 8.159 8.159 8.367 -0.208 17842 11349 1 15 . 1 1 124 124 ALA N N 125 118.711 118.711 120.044 -1.333 17842 11350 1 15 . 1 1 124 124 ALA C C 125 174.962 174.962 174.955 0.007 17842 11351 1 15 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.877 -2.081 17842 11352 1 15 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.497 0.510 17842 11353 1 15 . 1 1 124 124 ALA H H 125 8.638 8.638 8.430 0.208 17842 11354 1 15 . 1 1 125 125 GLY N N 126 103.783 103.783 107.188 -3.405 17842 11355 1 15 . 1 1 125 125 GLY C C 126 170.390 170.390 171.174 -0.784 17842 11356 1 15 . 1 1 125 125 GLY CA C 126 46.410 46.410 44.876 1.534 17842 11357 1 15 . 1 1 125 125 GLY H H 126 7.103 7.103 7.437 -0.334 17842 11358 1 15 . 1 1 126 126 ILE N N 127 118.306 118.306 114.466 3.840 17842 11359 1 15 . 1 1 126 126 ILE C C 127 172.353 172.353 173.903 -1.550 17842 11360 1 15 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.282 -1.689 17842 11361 1 15 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.304 0.860 17842 11362 1 15 . 1 1 126 126 ILE H H 127 8.564 8.564 7.618 0.946 17842 11363 1 15 . 1 1 127 127 LEU N N 128 129.339 129.339 126.932 2.407 17842 11364 1 15 . 1 1 127 127 LEU C C 128 173.613 173.613 175.672 -2.059 17842 11365 1 15 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.178 -0.650 17842 11366 1 15 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.096 3.708 17842 11367 1 15 . 1 1 127 127 LEU H H 128 9.236 9.236 8.300 0.936 17842 11368 1 15 . 1 1 128 128 GLN N N 129 126.801 126.801 127.458 -0.657 17842 11369 1 15 . 1 1 128 128 GLN C C 129 175.093 175.093 174.812 0.281 17842 11370 1 15 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.196 -1.002 17842 11371 1 15 . 1 1 128 128 GLN CB C 129 30.947 30.947 31.366 -0.419 17842 11372 1 15 . 1 1 128 128 GLN H H 129 9.352 9.352 9.278 0.074 17842 11373 1 15 . 1 1 129 129 GLU N N 130 126.822 126.822 125.017 1.805 17842 11374 1 15 . 1 1 129 129 GLU C C 130 176.651 176.651 175.123 1.528 17842 11375 1 15 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.333 0.848 17842 11376 1 15 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.490 -3.729 17842 11377 1 15 . 1 1 129 129 GLU H H 130 8.518 8.518 8.241 0.277 17842 11378 1 15 . 1 1 130 130 LEU N N 131 126.031 126.031 123.088 2.943 17842 11379 1 15 . 1 1 130 130 LEU C C 131 176.044 176.044 176.960 -0.916 17842 11380 1 15 . 1 1 130 130 LEU CA C 131 55.175 55.175 56.325 -1.150 17842 11381 1 15 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.367 0.488 17842 11382 1 15 . 1 1 130 130 LEU H H 131 8.708 8.708 8.299 0.409 17842 11383 1 15 . 1 1 131 131 SER N N 132 113.049 113.049 111.975 1.074 17842 11384 1 15 . 1 1 131 131 SER C C 132 174.092 174.092 173.717 0.375 17842 11385 1 15 . 1 1 131 131 SER CA C 132 55.993 55.993 57.848 -1.855 17842 11386 1 15 . 1 1 131 131 SER CB C 132 64.945 64.945 63.726 1.219 17842 11387 1 15 . 1 1 131 131 SER H H 132 8.282 8.282 7.638 0.644 17842 11388 1 15 . 1 1 132 132 LYS C C 133 176.346 176.346 175.333 1.013 17842 11389 1 15 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.066 2.431 17842 11390 1 15 . 1 1 132 132 LYS CB C 133 31.009 31.009 30.381 0.628 17842 11391 1 15 . 1 1 133 133 ASN N N 134 110.795 110.795 116.076 -5.281 17842 11392 1 15 . 1 1 133 133 ASN C C 134 173.897 173.897 173.306 0.591 17842 11393 1 15 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.451 0.127 17842 11394 1 15 . 1 1 133 133 ASN CB C 134 40.830 40.830 40.787 0.043 17842 11395 1 15 . 1 1 133 133 ASN H H 134 7.761 7.761 8.234 -0.473 17842 11396 1 15 . 1 1 134 134 ALA N N 135 122.181 122.181 119.742 2.439 17842 11397 1 15 . 1 1 134 134 ALA C C 135 176.250 176.250 175.363 0.887 17842 11398 1 15 . 1 1 134 134 ALA CA C 135 51.157 51.157 50.837 0.320 17842 11399 1 15 . 1 1 134 134 ALA CB C 135 22.133 22.133 22.258 -0.125 17842 11400 1 15 . 1 1 134 134 ALA H H 135 7.562 7.562 8.183 -0.621 17842 11401 1 15 . 1 1 135 135 SER N N 136 114.617 114.617 112.217 2.400 17842 11402 1 15 . 1 1 135 135 SER C C 136 172.507 172.507 172.580 -0.073 17842 11403 1 15 . 1 1 135 135 SER CA C 136 56.164 56.164 57.496 -1.332 17842 11404 1 15 . 1 1 135 135 SER CB C 136 66.255 66.255 66.326 -0.071 17842 11405 1 15 . 1 1 135 135 SER H H 136 8.717 8.717 8.387 0.330 17842 11406 1 15 . 1 1 136 136 ILE N N 137 114.495 114.495 114.390 0.105 17842 11407 1 15 . 1 1 136 136 ILE C C 137 173.136 173.136 174.191 -1.055 17842 11408 1 15 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.007 -1.587 17842 11409 1 15 . 1 1 136 136 ILE CB C 137 42.700 42.700 41.782 0.918 17842 11410 1 15 . 1 1 136 136 ILE H H 137 8.592 8.592 9.034 -0.442 17842 11411 1 15 . 1 1 137 137 GLU N N 138 122.016 122.016 123.403 -1.387 17842 11412 1 15 . 1 1 137 137 GLU C C 138 173.792 173.792 175.481 -1.689 17842 11413 1 15 . 1 1 137 137 GLU CA C 138 53.537 53.537 53.309 0.228 17842 11414 1 15 . 1 1 137 137 GLU CB C 138 35.118 35.118 33.989 1.129 17842 11415 1 15 . 1 1 137 137 GLU H H 138 8.902 8.902 8.467 0.435 17842 11416 1 15 . 1 1 138 138 GLY N N 139 107.847 107.847 104.946 2.901 17842 11417 1 15 . 1 1 138 138 GLY C C 139 171.817 171.817 172.773 -0.956 17842 11418 1 15 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.670 -1.600 17842 11419 1 15 . 1 1 138 138 GLY H H 139 8.485 8.485 8.007 0.478 17842 11420 1 15 . 1 1 139 139 GLY N N 140 108.290 108.290 108.799 -0.509 17842 11421 1 15 . 1 1 139 139 GLY C C 140 169.172 169.172 172.258 -3.086 17842 11422 1 15 . 1 1 139 139 GLY CA C 140 45.714 45.714 46.061 -0.347 17842 11423 1 15 . 1 1 139 139 GLY H H 140 7.841 7.841 8.548 -0.707 17842 11424 1 15 . 1 1 140 140 TYR N N 141 119.674 119.674 118.713 0.961 17842 11425 1 15 . 1 1 140 140 TYR C C 141 173.643 173.643 174.710 -1.067 17842 11426 1 15 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.090 -0.911 17842 11427 1 15 . 1 1 140 140 TYR CB C 141 43.144 43.144 42.896 0.248 17842 11428 1 15 . 1 1 140 140 TYR H H 141 8.726 8.726 8.708 0.018 17842 11429 1 15 . 1 1 141 141 ARG N N 142 125.021 125.021 119.798 5.223 17842 11430 1 15 . 1 1 141 141 ARG C C 142 173.533 173.533 173.672 -0.139 17842 11431 1 15 . 1 1 141 141 ARG CA C 142 53.813 53.813 54.368 -0.555 17842 11432 1 15 . 1 1 141 141 ARG CB C 142 33.239 33.239 34.007 -0.768 17842 11433 1 15 . 1 1 141 141 ARG H H 142 8.502 8.502 7.851 0.651 17842 11434 1 15 . 1 1 142 142 TYR N N 143 128.805 128.805 123.122 5.683 17842 11435 1 15 . 1 1 142 142 TYR C C 143 173.475 173.475 174.830 -1.355 17842 11436 1 15 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.110 0.318 17842 11437 1 15 . 1 1 142 142 TYR CB C 143 41.642 41.642 40.669 0.973 17842 11438 1 15 . 1 1 142 142 TYR H H 143 8.978 8.978 9.248 -0.270 17842 11439 1 15 . 1 1 143 143 LEU N N 144 125.513 125.513 122.668 2.845 17842 11440 1 15 . 1 1 143 143 LEU C C 144 175.370 175.370 175.353 0.017 17842 11441 1 15 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.088 -1.195 17842 11442 1 15 . 1 1 143 143 LEU CB C 144 45.924 45.924 46.245 -0.321 17842 11443 1 15 . 1 1 143 143 LEU H H 144 8.117 8.117 8.559 -0.442 17842 11444 1 15 . 1 1 144 144 ARG N N 145 122.193 122.193 121.694 0.499 17842 11445 1 15 . 1 1 144 144 ARG C C 145 175.452 175.452 174.960 0.492 17842 11446 1 15 . 1 1 144 144 ARG CA C 145 54.077 54.077 54.868 -0.791 17842 11447 1 15 . 1 1 144 144 ARG CB C 145 31.377 31.377 33.484 -2.107 17842 11448 1 15 . 1 1 144 144 ARG H H 145 8.810 8.810 8.951 -0.141 17842 11449 1 15 . 1 1 145 145 THR C C 146 172.708 172.708 174.072 -1.364 17842 11450 1 15 . 1 1 145 145 THR CA C 146 59.117 59.117 61.532 -2.415 17842 11451 1 15 . 1 1 145 145 THR CB C 146 70.345 70.345 69.792 0.553 17842 11452 1 15 . 1 1 146 146 ASN N N 147 120.236 120.236 120.900 -0.664 17842 11453 1 15 . 1 1 146 146 ASN C C 147 175.341 175.341 174.072 1.269 17842 11454 1 15 . 1 1 146 146 ASN CA C 147 51.880 51.880 52.026 -0.146 17842 11455 1 15 . 1 1 146 146 ASN CB C 147 38.462 38.462 40.462 -2.000 17842 11456 1 15 . 1 1 146 146 ASN H H 147 8.259 8.259 8.369 -0.110 17842 11457 1 15 . 1 1 147 147 ALA N N 148 124.724 124.724 123.207 1.517 17842 11458 1 15 . 1 1 147 147 ALA C C 148 176.378 176.378 176.433 -0.055 17842 11459 1 15 . 1 1 147 147 ALA CA C 148 52.179 52.179 53.092 -0.913 17842 11460 1 15 . 1 1 147 147 ALA CB C 148 18.626 18.626 18.756 -0.130 17842 11461 1 15 . 1 1 147 147 ALA H H 148 8.256 8.256 8.448 -0.192 17842 11462 1 15 . 1 1 148 148 SER N N 149 115.670 115.670 113.709 1.961 17842 11463 1 15 . 1 1 148 148 SER C C 149 174.123 174.123 174.258 -0.135 17842 11464 1 15 . 1 1 148 148 SER CA C 149 57.281 57.281 59.133 -1.853 17842 11465 1 15 . 1 1 148 148 SER CB C 149 64.685 64.685 63.007 1.678 17842 11466 1 15 . 1 1 148 148 SER H H 149 8.372 8.372 8.595 -0.223 17842 11467 1 15 . 1 1 149 149 THR N N 150 115.292 115.292 115.257 0.035 17842 11468 1 15 . 1 1 149 149 THR C C 150 173.858 173.858 174.193 -0.335 17842 11469 1 15 . 1 1 149 149 THR CA C 150 61.189 61.189 61.384 -0.195 17842 11470 1 15 . 1 1 149 149 THR CB C 150 69.105 69.105 68.217 0.888 17842 11471 1 15 . 1 1 149 149 THR H H 150 8.228 8.228 8.206 0.022 17842 11472 1 15 . 1 1 150 150 GLU N N 151 123.244 123.244 125.751 -2.507 17842 11473 1 15 . 1 1 150 150 GLU C C 151 176.121 176.121 175.829 0.292 17842 11474 1 15 . 1 1 150 150 GLU CA C 151 56.002 56.002 56.237 -0.235 17842 11475 1 15 . 1 1 150 150 GLU CB C 151 29.931 29.931 29.754 0.177 17842 11476 1 15 . 1 1 150 150 GLU H H 151 8.186 8.186 8.460 -0.274 17842 11477 1 15 . 1 1 151 151 MET N N 152 121.600 121.600 125.311 -3.711 17842 11478 1 15 . 1 1 151 151 MET C C 152 175.810 175.810 175.386 0.424 17842 11479 1 15 . 1 1 151 151 MET CA C 152 55.254 55.254 55.344 -0.090 17842 11480 1 15 . 1 1 151 151 MET CB C 152 33.247 33.247 34.239 -0.991 17842 11481 1 15 . 1 1 151 151 MET H H 152 8.248 8.248 8.549 -0.301 17842 11482 1 15 . 1 1 152 152 THR N N 153 117.486 117.486 116.433 1.053 17842 11483 1 15 . 1 1 152 152 THR C C 153 172.907 172.907 173.703 -0.796 17842 11484 1 15 . 1 1 152 152 THR CA C 153 59.365 59.365 58.491 0.874 17842 11485 1 15 . 1 1 152 152 THR CB C 153 69.366 69.366 69.256 0.110 17842 11486 1 15 . 1 1 152 152 THR H H 153 8.113 8.113 8.255 -0.142 17842 11487 1 15 . 1 1 155 155 GLY C C 156 174.620 174.620 172.986 1.634 17842 11488 1 15 . 1 1 155 155 GLY CA C 156 45.280 45.280 44.943 0.337 17842 11489 1 15 . 1 1 156 156 GLY N N 157 109.059 109.059 108.882 0.177 17842 11490 1 15 . 1 1 156 156 GLY C C 157 173.801 173.801 173.203 0.598 17842 11491 1 15 . 1 1 156 156 GLY CA C 157 44.929 44.929 44.768 0.161 17842 11492 1 15 . 1 1 156 156 GLY H H 157 8.175 8.175 8.286 -0.111 17842 11493 1 15 . 1 1 157 157 ASN N N 158 118.630 118.630 119.653 -1.023 17842 11494 1 15 . 1 1 157 157 ASN C C 158 175.025 175.025 174.602 0.423 17842 11495 1 15 . 1 1 157 157 ASN CA C 158 52.791 52.791 53.251 -0.460 17842 11496 1 15 . 1 1 157 157 ASN CB C 158 38.532 38.532 39.283 -0.751 17842 11497 1 15 . 1 1 157 157 ASN H H 158 8.114 8.114 8.412 -0.298 17842 11498 1 15 . 1 1 158 158 LYS N N 159 121.755 121.755 121.458 0.297 17842 11499 1 15 . 1 1 158 158 LYS C C 159 176.361 176.361 176.803 -0.442 17842 11500 1 15 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.334 0.138 17842 11501 1 15 . 1 1 158 158 LYS CB C 159 32.403 32.403 32.535 -0.132 17842 11502 1 15 . 1 1 158 158 LYS H H 159 8.169 8.169 8.496 -0.327 17842 11503 1 15 . 1 1 159 159 LEU N N 160 123.084 123.084 121.988 1.096 17842 11504 1 15 . 1 1 159 159 LEU C C 160 177.408 177.408 177.777 -0.369 17842 11505 1 15 . 1 1 159 159 LEU CA C 160 55.162 55.162 55.334 -0.172 17842 11506 1 15 . 1 1 159 159 LEU CB C 160 42.690 42.690 42.304 0.386 17842 11507 1 15 . 1 1 159 159 LEU H H 160 8.173 8.173 8.096 0.077 17842 11508 1 15 . 1 1 160 160 GLY N N 161 109.180 109.180 106.324 2.856 17842 11509 1 15 . 1 1 160 160 GLY C C 161 173.574 173.574 172.865 0.709 17842 11510 1 15 . 1 1 160 160 GLY CA C 161 44.877 44.877 44.457 0.420 17842 11511 1 15 . 1 1 160 160 GLY H H 161 8.117 8.117 7.833 0.284 17842 11512 1 15 . 1 1 161 161 SER N N 162 115.719 115.719 116.972 -1.253 17842 11513 1 15 . 1 1 161 161 SER C C 162 173.715 173.715 174.431 -0.716 17842 11514 1 15 . 1 1 161 161 SER CA C 162 57.965 57.965 57.498 0.467 17842 11515 1 15 . 1 1 161 161 SER CB C 162 63.856 63.856 64.012 -0.156 17842 11516 1 15 . 1 1 161 161 SER H H 162 8.064 8.064 8.313 -0.249 17842 11517 1 15 . 1 1 162 162 LEU N N 163 123.433 123.433 126.100 -2.667 17842 11518 1 15 . 1 1 162 162 LEU C C 163 175.609 175.609 176.294 -0.685 17842 11519 1 15 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.175 -0.790 17842 11520 1 15 . 1 1 162 162 LEU CB C 163 43.046 43.046 42.812 0.234 17842 11521 1 15 . 1 1 162 162 LEU H H 163 8.282 8.282 8.493 -0.211 17842 11522 1 15 . 1 1 163 163 ASP N N 164 122.223 122.223 124.604 -2.381 17842 11523 1 15 . 1 1 163 163 ASP C C 164 175.122 175.122 174.930 0.192 17842 11524 1 15 . 1 1 163 163 ASP CA C 164 53.400 53.400 53.791 -0.391 17842 11525 1 15 . 1 1 163 163 ASP CB C 164 41.200 41.200 41.618 -0.418 17842 11526 1 15 . 1 1 163 163 ASP H H 164 8.356 8.356 8.483 -0.127 17842 11527 1 15 . 1 1 166 166 SER C C 167 172.472 172.472 173.092 -0.620 17842 11528 1 15 . 1 1 166 166 SER CA C 167 56.760 56.760 57.718 -0.958 17842 11529 1 15 . 1 1 167 167 SER N N 168 115.939 115.939 116.077 -0.138 17842 11530 1 15 . 1 1 167 167 SER C C 168 173.318 173.318 173.078 0.240 17842 11531 1 15 . 1 1 167 167 SER CA C 168 56.763 56.763 57.381 -0.618 17842 11532 1 15 . 1 1 167 167 SER CB C 168 65.286 65.286 64.578 0.708 17842 11533 1 15 . 1 1 167 167 SER H H 168 8.678 8.678 8.607 0.071 17842 11534 1 15 . 1 1 168 168 SER C C 169 172.500 172.500 172.936 -0.436 17842 11535 1 15 . 1 1 168 168 SER CA C 169 56.569 56.569 57.503 -0.934 17842 11536 1 15 . 1 1 168 168 SER CB C 169 65.738 65.738 63.955 1.784 17842 11537 1 15 . 1 1 169 169 GLN N N 170 122.951 122.951 121.177 1.774 17842 11538 1 15 . 1 1 169 169 GLN C C 170 174.697 174.697 174.245 0.452 17842 11539 1 15 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.467 -0.429 17842 11540 1 15 . 1 1 169 169 GLN CB C 170 32.383 32.383 32.375 0.008 17842 11541 1 15 . 1 1 169 169 GLN H H 170 8.745 8.745 8.042 0.703 17842 11542 1 15 . 1 1 170 170 PHE N N 171 125.628 125.628 120.827 4.801 17842 11543 1 15 . 1 1 170 170 PHE C C 171 174.628 174.628 174.647 -0.019 17842 11544 1 15 . 1 1 170 170 PHE CA C 171 56.200 56.200 56.267 -0.067 17842 11545 1 15 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.217 -0.665 17842 11546 1 15 . 1 1 170 170 PHE H H 171 7.771 7.771 8.606 -0.835 17842 11547 1 15 . 1 1 171 171 TYR N N 172 121.558 121.558 120.718 0.840 17842 11548 1 15 . 1 1 171 171 TYR C C 172 171.727 171.727 173.710 -1.983 17842 11549 1 15 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.031 -0.985 17842 11550 1 15 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.418 0.021 17842 11551 1 15 . 1 1 171 171 TYR H H 172 8.696 8.696 9.226 -0.530 17842 11552 1 15 . 1 1 172 172 LEU N N 173 119.230 119.230 124.642 -5.412 17842 11553 1 15 . 1 1 172 172 LEU C C 173 176.352 176.352 173.750 2.602 17842 11554 1 15 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.235 -1.492 17842 11555 1 15 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.026 0.511 17842 11556 1 15 . 1 1 172 172 LEU H H 173 8.971 8.971 7.823 1.148 17842 11557 1 15 . 1 1 173 173 GLY N N 174 107.248 107.248 109.451 -2.203 17842 11558 1 15 . 1 1 173 173 GLY C C 174 170.680 170.680 171.338 -0.658 17842 11559 1 15 . 1 1 173 173 GLY CA C 174 44.920 44.920 45.050 -0.130 17842 11560 1 15 . 1 1 173 173 GLY H H 174 9.085 9.085 8.585 0.500 17842 11561 1 15 . 1 1 174 174 ALA N N 175 121.461 121.461 120.429 1.032 17842 11562 1 15 . 1 1 174 174 ALA C C 175 174.546 174.546 175.265 -0.719 17842 11563 1 15 . 1 1 174 174 ALA CA C 175 50.312 50.312 49.712 0.600 17842 11564 1 15 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.476 -0.833 17842 11565 1 15 . 1 1 174 174 ALA H H 175 8.575 8.575 8.012 0.563 17842 11566 1 15 . 1 1 175 175 ASN N N 176 117.370 117.370 116.691 0.679 17842 11567 1 15 . 1 1 175 175 ASN C C 176 173.370 173.370 173.046 0.324 17842 11568 1 15 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.735 -2.136 17842 11569 1 15 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.628 -0.671 17842 11570 1 15 . 1 1 175 175 ASN H H 176 8.762 8.762 8.578 0.184 17842 11571 1 15 . 1 1 176 176 TYR N N 177 122.724 122.724 127.399 -4.675 17842 11572 1 15 . 1 1 176 176 TYR C C 177 173.924 173.924 174.336 -0.412 17842 11573 1 15 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.334 0.104 17842 11574 1 15 . 1 1 176 176 TYR CB C 177 42.401 42.401 40.338 2.063 17842 11575 1 15 . 1 1 176 176 TYR H H 177 9.570 9.570 8.626 0.944 17842 11576 1 15 . 1 1 177 177 LYS N N 178 127.067 127.067 126.632 0.435 17842 11577 1 15 . 1 1 177 177 LYS C C 178 174.336 174.336 174.331 0.005 17842 11578 1 15 . 1 1 177 177 LYS CA C 178 54.243 54.243 54.800 -0.557 17842 11579 1 15 . 1 1 177 177 LYS CB C 178 33.951 33.951 32.912 1.039 17842 11580 1 15 . 1 1 177 177 LYS H H 178 8.284 8.284 7.320 0.964 17842 11581 1 16 . 1 1 2 2 ASP N N 3 119.767 119.767 122.251 -2.484 17842 11582 1 16 . 1 1 2 2 ASP C C 3 175.809 175.809 174.926 0.883 17842 11583 1 16 . 1 1 2 2 ASP CA C 3 53.303 53.303 52.882 0.421 17842 11584 1 16 . 1 1 2 2 ASP CB C 3 42.915 42.915 45.249 -2.334 17842 11585 1 16 . 1 1 2 2 ASP H H 3 8.443 8.443 8.523 -0.080 17842 11586 1 16 . 1 1 3 3 ASN N N 4 123.667 123.667 117.999 5.668 17842 11587 1 16 . 1 1 3 3 ASN C C 4 174.736 174.736 174.295 0.441 17842 11588 1 16 . 1 1 3 3 ASN CA C 4 52.911 52.911 53.273 -0.362 17842 11589 1 16 . 1 1 3 3 ASN CB C 4 39.160 39.160 40.837 -1.677 17842 11590 1 16 . 1 1 3 3 ASN H H 4 8.923 8.923 8.786 0.137 17842 11591 1 16 . 1 1 4 4 PHE N N 5 118.447 118.447 123.517 -5.070 17842 11592 1 16 . 1 1 4 4 PHE C C 5 172.331 172.331 173.482 -1.151 17842 11593 1 16 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.350 -1.298 17842 11594 1 16 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.616 -0.753 17842 11595 1 16 . 1 1 4 4 PHE H H 5 8.910 8.910 8.912 -0.002 17842 11596 1 16 . 1 1 5 5 VAL N N 6 116.195 116.195 122.750 -6.555 17842 11597 1 16 . 1 1 5 5 VAL C C 6 174.144 174.144 174.161 -0.017 17842 11598 1 16 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.795 -2.266 17842 11599 1 16 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.378 0.440 17842 11600 1 16 . 1 1 5 5 VAL H H 6 8.903 8.903 8.532 0.371 17842 11601 1 16 . 1 1 6 6 GLY N N 7 110.150 110.150 114.490 -4.340 17842 11602 1 16 . 1 1 6 6 GLY C C 7 170.825 170.825 171.894 -1.069 17842 11603 1 16 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.371 0.847 17842 11604 1 16 . 1 1 6 6 GLY H H 7 8.670 8.670 8.854 -0.184 17842 11605 1 16 . 1 1 7 7 LEU N N 8 120.059 120.059 119.512 0.547 17842 11606 1 16 . 1 1 7 7 LEU C C 8 175.596 175.596 176.164 -0.568 17842 11607 1 16 . 1 1 7 7 LEU CA C 8 52.933 52.933 52.944 -0.011 17842 11608 1 16 . 1 1 7 7 LEU CB C 8 47.663 47.663 46.639 1.024 17842 11609 1 16 . 1 1 7 7 LEU H H 8 8.562 8.562 7.928 0.634 17842 11610 1 16 . 1 1 8 8 THR N N 9 112.180 112.180 111.074 1.106 17842 11611 1 16 . 1 1 8 8 THR C C 9 172.942 172.942 172.760 0.182 17842 11612 1 16 . 1 1 8 8 THR CA C 9 59.539 59.539 61.478 -1.939 17842 11613 1 16 . 1 1 8 8 THR CB C 9 70.735 70.735 71.510 -0.774 17842 11614 1 16 . 1 1 8 8 THR H H 9 9.114 9.114 8.819 0.295 17842 11615 1 16 . 1 1 9 9 TRP N N 10 121.476 121.476 127.933 -6.457 17842 11616 1 16 . 1 1 9 9 TRP C C 10 174.622 174.622 174.544 0.078 17842 11617 1 16 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.158 1.260 17842 11618 1 16 . 1 1 9 9 TRP CB C 10 31.877 31.877 32.590 -0.713 17842 11619 1 16 . 1 1 9 9 TRP H H 10 9.022 9.022 8.832 0.190 17842 11620 1 16 . 1 1 10 10 GLY N N 11 112.750 112.750 115.325 -2.575 17842 11621 1 16 . 1 1 10 10 GLY C C 11 171.655 171.655 172.444 -0.789 17842 11622 1 16 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.664 1.276 17842 11623 1 16 . 1 1 10 10 GLY H H 11 7.798 7.798 9.422 -1.624 17842 11624 1 16 . 1 1 11 11 GLU N N 12 117.292 117.292 124.114 -6.822 17842 11625 1 16 . 1 1 11 11 GLU C C 12 175.810 175.810 175.861 -0.051 17842 11626 1 16 . 1 1 11 11 GLU CA C 12 53.743 53.743 54.893 -1.150 17842 11627 1 16 . 1 1 11 11 GLU CB C 12 31.361 31.361 32.908 -1.547 17842 11628 1 16 . 1 1 11 11 GLU H H 12 8.223 8.223 7.988 0.235 17842 11629 1 16 . 1 1 12 12 THR N N 13 123.477 123.477 119.693 3.784 17842 11630 1 16 . 1 1 12 12 THR C C 13 174.233 174.233 174.418 -0.185 17842 11631 1 16 . 1 1 12 12 THR CA C 13 61.872 61.872 62.456 -0.584 17842 11632 1 16 . 1 1 12 12 THR CB C 13 69.374 69.374 69.315 0.059 17842 11633 1 16 . 1 1 12 12 THR H H 13 8.722 8.722 8.486 0.236 17842 11634 1 16 . 1 1 13 13 SER N N 14 122.220 122.220 122.369 -0.149 17842 11635 1 16 . 1 1 13 13 SER C C 14 173.577 173.577 173.075 0.502 17842 11636 1 16 . 1 1 13 13 SER CA C 14 56.934 56.934 58.370 -1.437 17842 11637 1 16 . 1 1 13 13 SER CB C 14 64.249 64.249 64.222 0.027 17842 11638 1 16 . 1 1 13 13 SER H H 14 9.225 9.225 8.840 0.385 17842 11639 1 16 . 1 1 14 14 ASN N N 15 125.159 125.159 122.957 2.202 17842 11640 1 16 . 1 1 14 14 ASN C C 15 174.673 174.673 174.020 0.653 17842 11641 1 16 . 1 1 14 14 ASN CA C 15 51.888 51.888 53.377 -1.489 17842 11642 1 16 . 1 1 14 14 ASN CB C 15 39.777 39.777 39.507 0.270 17842 11643 1 16 . 1 1 14 14 ASN H H 15 8.745 8.745 8.676 0.069 17842 11644 1 16 . 1 1 15 15 ASN N N 16 120.330 120.330 118.694 1.636 17842 11645 1 16 . 1 1 15 15 ASN C C 16 175.886 175.886 175.790 0.096 17842 11646 1 16 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.514 -0.735 17842 11647 1 16 . 1 1 15 15 ASN CB C 16 38.595 38.595 39.130 -0.535 17842 11648 1 16 . 1 1 15 15 ASN H H 16 8.494 8.494 8.384 0.110 17842 11649 1 16 . 1 1 20 20 LYS C C 21 176.705 176.705 175.123 1.582 17842 11650 1 16 . 1 1 20 20 LYS CA C 21 56.683 56.683 55.638 1.045 17842 11651 1 16 . 1 1 21 21 SER N N 22 115.966 115.966 117.876 -1.910 17842 11652 1 16 . 1 1 21 21 SER C C 22 174.564 174.564 174.291 0.273 17842 11653 1 16 . 1 1 21 21 SER CA C 22 58.149 58.149 57.448 0.701 17842 11654 1 16 . 1 1 21 21 SER CB C 22 63.308 63.308 65.144 -1.836 17842 11655 1 16 . 1 1 21 21 SER H H 22 8.053 8.053 8.446 -0.393 17842 11656 1 16 . 1 1 22 22 LEU N N 23 123.751 123.751 117.136 6.615 17842 11657 1 16 . 1 1 22 22 LEU C C 23 176.968 176.968 177.269 -0.301 17842 11658 1 16 . 1 1 22 22 LEU CA C 23 55.269 55.269 56.552 -1.283 17842 11659 1 16 . 1 1 22 22 LEU CB C 23 42.334 42.334 42.863 -0.529 17842 11660 1 16 . 1 1 22 22 LEU H H 23 8.006 8.006 8.667 -0.661 17842 11661 1 16 . 1 1 23 23 ASN N N 24 118.937 118.937 118.162 0.775 17842 11662 1 16 . 1 1 23 23 ASN C C 24 175.119 175.119 174.716 0.403 17842 11663 1 16 . 1 1 23 23 ASN CA C 24 52.993 52.993 53.317 -0.324 17842 11664 1 16 . 1 1 23 23 ASN CB C 24 38.255 38.255 40.520 -2.265 17842 11665 1 16 . 1 1 23 23 ASN H H 24 8.136 8.136 8.341 -0.205 17842 11666 1 16 . 1 1 24 24 ARG N N 25 121.500 121.500 120.882 0.618 17842 11667 1 16 . 1 1 24 24 ARG C C 25 175.849 175.849 173.969 1.880 17842 11668 1 16 . 1 1 24 24 ARG CA C 25 56.368 56.368 56.145 0.223 17842 11669 1 16 . 1 1 24 24 ARG CB C 25 30.366 30.366 30.646 -0.281 17842 11670 1 16 . 1 1 24 24 ARG H H 25 8.097 8.097 8.389 -0.292 17842 11671 1 16 . 1 1 25 25 ASN N N 26 119.196 119.196 121.506 -2.310 17842 11672 1 16 . 1 1 25 25 ASN C C 26 175.122 175.122 173.925 1.197 17842 11673 1 16 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.010 0.051 17842 11674 1 16 . 1 1 25 25 ASN CB C 26 38.291 38.291 39.414 -1.123 17842 11675 1 16 . 1 1 25 25 ASN H H 26 8.278 8.278 8.285 -0.007 17842 11676 1 16 . 1 1 26 26 LEU N N 27 122.352 122.352 122.768 -0.416 17842 11677 1 16 . 1 1 26 26 LEU C C 27 176.903 176.903 175.805 1.098 17842 11678 1 16 . 1 1 26 26 LEU CA C 27 55.326 55.326 56.105 -0.778 17842 11679 1 16 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.267 -0.081 17842 11680 1 16 . 1 1 26 26 LEU H H 27 7.992 7.992 8.467 -0.475 17842 11681 1 16 . 1 1 27 27 ASN N N 28 118.444 118.444 118.551 -0.107 17842 11682 1 16 . 1 1 27 27 ASN C C 28 174.754 174.754 175.802 -1.048 17842 11683 1 16 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.763 -0.803 17842 11684 1 16 . 1 1 27 27 ASN CB C 28 38.419 38.419 38.862 -0.443 17842 11685 1 16 . 1 1 27 27 ASN H H 28 8.216 8.216 8.321 -0.105 17842 11686 1 16 . 1 1 28 28 SER N N 29 116.471 116.471 115.764 0.707 17842 11687 1 16 . 1 1 28 28 SER C C 29 172.778 172.778 173.489 -0.711 17842 11688 1 16 . 1 1 28 28 SER CA C 29 55.982 55.982 56.754 -0.772 17842 11689 1 16 . 1 1 28 28 SER CB C 29 63.179 63.179 64.201 -1.022 17842 11690 1 16 . 1 1 28 28 SER H H 29 7.833 7.833 8.410 -0.577 17842 11691 1 16 . 1 1 29 29 PRO C C 30 176.535 176.535 177.100 -0.565 17842 11692 1 16 . 1 1 29 29 PRO CA C 30 63.458 63.458 64.310 -0.852 17842 11693 1 16 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.344 -0.672 17842 11694 1 16 . 1 1 30 30 ASN N N 31 118.189 118.189 115.209 2.980 17842 11695 1 16 . 1 1 30 30 ASN C C 31 175.075 175.075 174.399 0.676 17842 11696 1 16 . 1 1 30 30 ASN CA C 31 53.051 53.051 53.294 -0.243 17842 11697 1 16 . 1 1 30 30 ASN CB C 31 38.277 38.277 38.547 -0.270 17842 11698 1 16 . 1 1 30 30 ASN H H 31 8.231 8.231 8.016 0.215 17842 11699 1 16 . 1 1 31 31 LEU N N 32 122.838 122.838 123.214 -0.376 17842 11700 1 16 . 1 1 31 31 LEU C C 32 176.800 176.800 175.585 1.215 17842 11701 1 16 . 1 1 31 31 LEU CA C 32 55.107 55.107 56.084 -0.977 17842 11702 1 16 . 1 1 31 31 LEU CB C 32 42.291 42.291 41.464 0.827 17842 11703 1 16 . 1 1 31 31 LEU H H 32 8.011 8.011 7.820 0.191 17842 11704 1 16 . 1 1 32 32 ASP N N 33 120.740 120.740 124.164 -3.424 17842 11705 1 16 . 1 1 32 32 ASP C C 33 175.863 175.863 175.262 0.601 17842 11706 1 16 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.155 0.176 17842 11707 1 16 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.605 -0.847 17842 11708 1 16 . 1 1 32 32 ASP H H 33 8.151 8.151 7.988 0.163 17842 11709 1 16 . 1 1 33 33 LYS N N 34 120.746 120.746 122.606 -1.860 17842 11710 1 16 . 1 1 33 33 LYS C C 34 175.912 175.912 178.176 -2.264 17842 11711 1 16 . 1 1 33 33 LYS CA C 34 55.865 55.865 57.702 -1.837 17842 11712 1 16 . 1 1 33 33 LYS CB C 34 32.738 32.738 33.380 -0.643 17842 11713 1 16 . 1 1 33 33 LYS H H 34 7.933 7.933 8.248 -0.315 17842 11714 1 16 . 1 1 34 34 VAL N N 35 121.590 121.590 117.549 4.041 17842 11715 1 16 . 1 1 34 34 VAL C C 35 175.691 175.691 176.404 -0.713 17842 11716 1 16 . 1 1 34 34 VAL CA C 35 62.186 62.186 64.766 -2.580 17842 11717 1 16 . 1 1 34 34 VAL CB C 35 32.591 32.591 31.354 1.237 17842 11718 1 16 . 1 1 34 34 VAL H H 35 7.995 7.995 8.107 -0.112 17842 11719 1 16 . 1 1 35 35 ILE N N 36 124.025 124.025 118.239 5.786 17842 11720 1 16 . 1 1 35 35 ILE C C 36 175.266 175.266 174.878 0.388 17842 11721 1 16 . 1 1 35 35 ILE CA C 36 60.495 60.495 61.608 -1.113 17842 11722 1 16 . 1 1 35 35 ILE CB C 36 38.489 38.489 40.655 -2.166 17842 11723 1 16 . 1 1 35 35 ILE H H 36 8.034 8.034 8.234 -0.200 17842 11724 1 16 . 1 1 36 36 ASP N N 37 125.860 125.860 120.884 4.976 17842 11725 1 16 . 1 1 36 36 ASP C C 37 175.014 175.014 174.531 0.483 17842 11726 1 16 . 1 1 36 36 ASP CA C 37 53.719 53.719 55.150 -1.431 17842 11727 1 16 . 1 1 36 36 ASP CB C 37 41.755 41.755 41.064 0.691 17842 11728 1 16 . 1 1 36 36 ASP H H 37 8.190 8.190 8.078 0.112 17842 11729 1 16 . 1 1 37 37 ASN N N 38 120.770 120.770 122.400 -1.630 17842 11730 1 16 . 1 1 37 37 ASN C C 38 174.821 174.821 173.737 1.084 17842 11731 1 16 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.194 -0.037 17842 11732 1 16 . 1 1 37 37 ASN CB C 38 38.663 38.663 39.797 -1.134 17842 11733 1 16 . 1 1 37 37 ASN H H 38 8.334 8.334 8.555 -0.221 17842 11734 1 16 . 1 1 38 38 THR N N 39 115.976 115.976 116.232 -0.256 17842 11735 1 16 . 1 1 38 38 THR C C 39 175.226 175.226 173.999 1.227 17842 11736 1 16 . 1 1 38 38 THR CA C 39 62.215 62.215 61.608 0.607 17842 11737 1 16 . 1 1 38 38 THR CB C 39 69.618 69.618 71.008 -1.390 17842 11738 1 16 . 1 1 38 38 THR H H 39 8.508 8.508 7.540 0.968 17842 11739 1 16 . 1 1 39 39 GLY N N 40 115.818 115.818 112.847 2.971 17842 11740 1 16 . 1 1 39 39 GLY C C 40 172.862 172.862 172.712 0.150 17842 11741 1 16 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.389 0.779 17842 11742 1 16 . 1 1 39 39 GLY H H 40 8.819 8.819 8.503 0.316 17842 11743 1 16 . 1 1 40 40 THR N N 41 119.787 119.787 113.493 6.294 17842 11744 1 16 . 1 1 40 40 THR C C 41 172.914 172.914 174.347 -1.433 17842 11745 1 16 . 1 1 40 40 THR CA C 41 61.321 61.321 61.111 0.210 17842 11746 1 16 . 1 1 40 40 THR CB C 41 71.499 71.499 71.473 0.026 17842 11747 1 16 . 1 1 40 40 THR H H 41 8.117 8.117 8.611 -0.494 17842 11748 1 16 . 1 1 41 41 TRP N N 42 128.090 128.090 126.678 1.412 17842 11749 1 16 . 1 1 41 41 TRP C C 42 174.627 174.627 175.024 -0.397 17842 11750 1 16 . 1 1 41 41 TRP CA C 42 55.122 55.122 53.930 1.192 17842 11751 1 16 . 1 1 41 41 TRP CB C 42 31.905 31.905 30.383 1.522 17842 11752 1 16 . 1 1 41 41 TRP H H 42 8.178 8.178 8.904 -0.726 17842 11753 1 16 . 1 1 42 42 GLY N N 43 109.883 109.883 111.391 -1.508 17842 11754 1 16 . 1 1 42 42 GLY C C 43 172.317 172.317 172.045 0.272 17842 11755 1 16 . 1 1 42 42 GLY CA C 43 44.176 44.176 43.844 0.331 17842 11756 1 16 . 1 1 42 42 GLY H H 43 8.892 8.892 8.783 0.109 17842 11757 1 16 . 1 1 43 43 ILE N N 44 118.005 118.005 118.477 -0.472 17842 11758 1 16 . 1 1 43 43 ILE C C 44 173.071 173.071 174.392 -1.321 17842 11759 1 16 . 1 1 43 43 ILE CA C 44 58.606 58.606 60.358 -1.752 17842 11760 1 16 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.774 0.356 17842 11761 1 16 . 1 1 43 43 ILE H H 44 8.879 8.879 7.772 1.107 17842 11762 1 16 . 1 1 44 44 ARG N N 45 120.855 120.855 122.341 -1.486 17842 11763 1 16 . 1 1 44 44 ARG C C 45 174.942 174.942 174.352 0.590 17842 11764 1 16 . 1 1 44 44 ARG CA C 45 52.889 52.889 53.918 -1.029 17842 11765 1 16 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.441 -0.489 17842 11766 1 16 . 1 1 44 44 ARG H H 45 8.708 8.708 9.099 -0.391 17842 11767 1 16 . 1 1 45 45 ALA N N 46 119.127 119.127 128.323 -9.196 17842 11768 1 16 . 1 1 45 45 ALA C C 46 175.693 175.693 175.219 0.474 17842 11769 1 16 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.215 -1.595 17842 11770 1 16 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.647 0.135 17842 11771 1 16 . 1 1 45 45 ALA H H 46 8.419 8.419 8.330 0.089 17842 11772 1 16 . 1 1 46 46 GLY N N 47 107.350 107.350 110.098 -2.748 17842 11773 1 16 . 1 1 46 46 GLY C C 47 171.353 171.353 171.911 -0.558 17842 11774 1 16 . 1 1 46 46 GLY CA C 47 45.630 45.630 46.017 -0.387 17842 11775 1 16 . 1 1 46 46 GLY H H 47 7.819 7.819 9.353 -1.534 17842 11776 1 16 . 1 1 47 47 GLN N N 48 118.061 118.061 120.064 -2.003 17842 11777 1 16 . 1 1 47 47 GLN C C 48 173.671 173.671 174.075 -0.404 17842 11778 1 16 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.789 -0.424 17842 11779 1 16 . 1 1 47 47 GLN CB C 48 32.912 32.912 33.392 -0.480 17842 11780 1 16 . 1 1 47 47 GLN H H 48 8.483 8.483 7.999 0.484 17842 11781 1 16 . 1 1 48 48 GLN N N 49 122.691 122.691 124.577 -1.886 17842 11782 1 16 . 1 1 48 48 GLN C C 49 173.291 173.291 174.914 -1.623 17842 11783 1 16 . 1 1 48 48 GLN CA C 49 54.593 54.593 55.007 -0.414 17842 11784 1 16 . 1 1 48 48 GLN CB C 49 30.750 30.750 30.529 0.221 17842 11785 1 16 . 1 1 48 48 GLN H H 49 9.319 9.319 9.143 0.176 17842 11786 1 16 . 1 1 49 49 PHE N N 50 126.379 126.379 127.170 -0.791 17842 11787 1 16 . 1 1 49 49 PHE C C 50 175.918 175.918 177.221 -1.303 17842 11788 1 16 . 1 1 49 49 PHE CA C 50 55.013 55.013 56.774 -1.761 17842 11789 1 16 . 1 1 49 49 PHE CB C 50 39.974 39.974 40.038 -0.064 17842 11790 1 16 . 1 1 49 49 PHE H H 50 8.781 8.781 9.699 -0.918 17842 11791 1 16 . 1 1 50 50 GLU N N 51 121.087 121.087 118.839 2.248 17842 11792 1 16 . 1 1 50 50 GLU C C 51 178.452 178.452 176.242 2.210 17842 11793 1 16 . 1 1 50 50 GLU CA C 51 60.435 60.435 59.362 1.073 17842 11794 1 16 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.676 -0.990 17842 11795 1 16 . 1 1 50 50 GLU H H 51 8.975 8.975 8.739 0.236 17842 11796 1 16 . 1 1 51 51 GLN N N 52 111.198 111.198 115.781 -4.583 17842 11797 1 16 . 1 1 51 51 GLN C C 52 176.031 176.031 174.595 1.436 17842 11798 1 16 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.640 0.196 17842 11799 1 16 . 1 1 51 51 GLN CB C 52 28.617 28.617 29.510 -0.893 17842 11800 1 16 . 1 1 51 51 GLN H H 52 7.955 7.955 8.115 -0.160 17842 11801 1 16 . 1 1 52 52 GLY N N 53 110.800 110.800 107.853 2.947 17842 11802 1 16 . 1 1 52 52 GLY C C 53 169.076 169.076 172.157 -3.081 17842 11803 1 16 . 1 1 52 52 GLY CA C 53 45.303 45.303 46.097 -0.794 17842 11804 1 16 . 1 1 52 52 GLY H H 53 6.696 6.696 7.344 -0.648 17842 11805 1 16 . 1 1 53 53 ARG N N 54 111.857 111.857 128.091 -16.234 17842 11806 1 16 . 1 1 53 53 ARG C C 54 172.397 172.397 173.981 -1.584 17842 11807 1 16 . 1 1 53 53 ARG CA C 54 54.227 54.227 54.795 -0.568 17842 11808 1 16 . 1 1 53 53 ARG CB C 54 31.755 31.755 32.860 -1.105 17842 11809 1 16 . 1 1 53 53 ARG H H 54 8.216 8.216 9.354 -1.138 17842 11810 1 16 . 1 1 54 54 TYR N N 55 116.379 116.379 129.160 -12.781 17842 11811 1 16 . 1 1 54 54 TYR C C 55 175.461 175.461 174.578 0.883 17842 11812 1 16 . 1 1 54 54 TYR CA C 55 55.296 55.296 55.118 0.178 17842 11813 1 16 . 1 1 54 54 TYR CB C 55 41.539 41.539 42.158 -0.619 17842 11814 1 16 . 1 1 54 54 TYR H H 55 8.477 8.477 9.147 -0.670 17842 11815 1 16 . 1 1 55 55 TYR N N 56 114.651 114.651 117.355 -2.704 17842 11816 1 16 . 1 1 55 55 TYR C C 56 173.431 173.431 172.542 0.889 17842 11817 1 16 . 1 1 55 55 TYR CA C 56 55.886 55.886 56.891 -1.005 17842 11818 1 16 . 1 1 55 55 TYR CB C 56 37.595 37.595 38.688 -1.093 17842 11819 1 16 . 1 1 55 55 TYR H H 56 8.221 8.221 7.333 0.888 17842 11820 1 16 . 1 1 56 56 ALA N N 57 125.460 125.460 125.440 0.020 17842 11821 1 16 . 1 1 56 56 ALA C C 57 175.737 175.737 176.709 -0.972 17842 11822 1 16 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.112 -0.964 17842 11823 1 16 . 1 1 56 56 ALA CB C 57 20.777 20.777 20.944 -0.167 17842 11824 1 16 . 1 1 56 56 ALA H H 57 9.034 9.034 8.323 0.711 17842 11825 1 16 . 1 1 57 57 THR N N 58 116.923 116.923 118.573 -1.650 17842 11826 1 16 . 1 1 57 57 THR C C 58 173.462 173.462 173.732 -0.270 17842 11827 1 16 . 1 1 57 57 THR CA C 58 61.458 61.458 61.012 0.446 17842 11828 1 16 . 1 1 57 57 THR CB C 58 71.683 71.683 70.750 0.933 17842 11829 1 16 . 1 1 57 57 THR H H 58 8.907 8.907 8.642 0.265 17842 11830 1 16 . 1 1 58 58 TYR N N 59 126.784 126.784 126.795 -0.011 17842 11831 1 16 . 1 1 58 58 TYR C C 59 173.954 173.954 175.676 -1.722 17842 11832 1 16 . 1 1 58 58 TYR CA C 59 55.682 55.682 57.044 -1.362 17842 11833 1 16 . 1 1 58 58 TYR CB C 59 41.320 41.320 37.887 3.433 17842 11834 1 16 . 1 1 58 58 TYR H H 59 8.974 8.974 8.461 0.513 17842 11835 1 16 . 1 1 59 59 GLU N N 60 124.211 124.211 123.661 0.550 17842 11836 1 16 . 1 1 59 59 GLU C C 60 173.989 173.989 174.918 -0.929 17842 11837 1 16 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.863 -1.939 17842 11838 1 16 . 1 1 59 59 GLU CB C 60 33.742 33.742 32.921 0.821 17842 11839 1 16 . 1 1 59 59 GLU H H 60 8.049 8.049 8.568 -0.519 17842 11840 1 16 . 1 1 60 60 ASN N N 61 118.358 118.358 117.199 1.159 17842 11841 1 16 . 1 1 60 60 ASN C C 61 173.609 173.609 173.764 -0.155 17842 11842 1 16 . 1 1 60 60 ASN CA C 61 52.281 52.281 52.291 -0.011 17842 11843 1 16 . 1 1 60 60 ASN H H 61 8.155 8.155 8.415 -0.260 17842 11844 1 16 . 1 1 61 61 ILE C C 62 174.902 174.902 175.793 -0.891 17842 11845 1 16 . 1 1 61 61 ILE CA C 62 60.980 60.980 61.279 -0.299 17842 11846 1 16 . 1 1 61 61 ILE CB C 62 40.772 40.772 37.938 2.834 17842 11847 1 16 . 1 1 62 62 SER N N 63 121.368 121.368 121.422 -0.054 17842 11848 1 16 . 1 1 62 62 SER C C 63 173.027 173.027 174.077 -1.050 17842 11849 1 16 . 1 1 62 62 SER CA C 63 57.295 57.295 59.098 -1.803 17842 11850 1 16 . 1 1 62 62 SER CB C 63 64.306 64.306 64.873 -0.567 17842 11851 1 16 . 1 1 62 62 SER H H 63 8.339 8.339 8.920 -0.581 17842 11852 1 16 . 1 1 63 63 ASP N N 64 124.300 124.300 118.741 5.559 17842 11853 1 16 . 1 1 63 63 ASP C C 64 176.570 176.570 174.923 1.647 17842 11854 1 16 . 1 1 63 63 ASP CA C 64 53.291 53.291 53.276 0.015 17842 11855 1 16 . 1 1 63 63 ASP CB C 64 42.484 42.484 43.508 -1.024 17842 11856 1 16 . 1 1 63 63 ASP H H 64 8.596 8.596 7.985 0.611 17842 11857 1 16 . 1 1 64 64 THR N N 65 116.756 116.756 113.181 3.575 17842 11858 1 16 . 1 1 64 64 THR C C 65 175.975 175.975 174.917 1.058 17842 11859 1 16 . 1 1 64 64 THR CA C 65 61.608 61.608 61.418 0.190 17842 11860 1 16 . 1 1 64 64 THR CB C 65 68.856 68.856 69.930 -1.074 17842 11861 1 16 . 1 1 64 64 THR H H 65 8.581 8.581 8.417 0.164 17842 11862 1 16 . 1 1 65 65 SER N N 66 119.276 119.276 122.734 -3.458 17842 11863 1 16 . 1 1 65 65 SER CA C 66 59.728 59.728 60.614 -0.886 17842 11864 1 16 . 1 1 65 65 SER CB C 66 63.514 63.514 63.237 0.277 17842 11865 1 16 . 1 1 65 65 SER H H 66 8.492 8.492 9.017 -0.525 17842 11866 1 16 . 1 1 66 66 SER C C 67 175.122 175.122 175.372 -0.250 17842 11867 1 16 . 1 1 66 66 SER CA C 67 58.554 58.554 58.521 0.033 17842 11868 1 16 . 1 1 67 67 GLY N N 68 110.266 110.266 110.353 -0.087 17842 11869 1 16 . 1 1 67 67 GLY C C 68 173.832 173.832 172.776 1.056 17842 11870 1 16 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.199 1.008 17842 11871 1 16 . 1 1 67 67 GLY H H 68 8.184 8.184 7.900 0.284 17842 11872 1 16 . 1 1 68 68 ASN N N 69 118.584 118.584 116.784 1.800 17842 11873 1 16 . 1 1 68 68 ASN C C 69 174.239 174.239 175.241 -1.002 17842 11874 1 16 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.287 0.443 17842 11875 1 16 . 1 1 68 68 ASN CB C 69 38.938 38.938 40.035 -1.097 17842 11876 1 16 . 1 1 68 68 ASN H H 69 7.972 7.972 8.296 -0.324 17842 11877 1 16 . 1 1 72 72 GLN C C 73 173.610 173.610 173.775 -0.165 17842 11878 1 16 . 1 1 72 72 GLN CA C 73 53.449 53.449 55.517 -2.068 17842 11879 1 16 . 1 1 73 73 GLN N N 74 123.659 123.659 119.591 4.068 17842 11880 1 16 . 1 1 73 73 GLN C C 74 173.276 173.276 173.825 -0.549 17842 11881 1 16 . 1 1 73 73 GLN CA C 74 53.544 53.544 55.380 -1.836 17842 11882 1 16 . 1 1 73 73 GLN CB C 74 34.344 34.344 32.714 1.630 17842 11883 1 16 . 1 1 73 73 GLN H H 74 8.697 8.697 8.267 0.430 17842 11884 1 16 . 1 1 74 74 ASN N N 75 118.720 118.720 123.615 -4.895 17842 11885 1 16 . 1 1 74 74 ASN C C 75 173.733 173.733 173.235 0.498 17842 11886 1 16 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.626 -2.357 17842 11887 1 16 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.401 -1.331 17842 11888 1 16 . 1 1 74 74 ASN H H 75 8.295 8.295 8.279 0.016 17842 11889 1 16 . 1 1 75 75 LEU N N 76 124.353 124.353 127.925 -3.572 17842 11890 1 16 . 1 1 75 75 LEU C C 76 174.267 174.267 174.006 0.261 17842 11891 1 16 . 1 1 75 75 LEU CA C 76 53.916 53.916 53.428 0.488 17842 11892 1 16 . 1 1 75 75 LEU CB C 76 44.633 44.633 43.902 0.731 17842 11893 1 16 . 1 1 75 75 LEU H H 76 8.847 8.847 7.934 0.913 17842 11894 1 16 . 1 1 76 76 LEU N N 77 124.437 124.437 122.508 1.929 17842 11895 1 16 . 1 1 76 76 LEU C C 77 175.188 175.188 174.858 0.330 17842 11896 1 16 . 1 1 76 76 LEU CA C 77 52.934 52.934 53.315 -0.381 17842 11897 1 16 . 1 1 76 76 LEU CB C 77 45.115 45.115 45.356 -0.241 17842 11898 1 16 . 1 1 76 76 LEU H H 77 9.222 9.222 7.787 1.435 17842 11899 1 16 . 1 1 77 77 GLY N N 78 107.288 107.288 108.271 -0.983 17842 11900 1 16 . 1 1 77 77 GLY C C 78 171.733 171.733 173.030 -1.297 17842 11901 1 16 . 1 1 77 77 GLY CA C 78 44.160 44.160 43.864 0.296 17842 11902 1 16 . 1 1 77 77 GLY H H 78 9.132 9.132 8.963 0.169 17842 11903 1 16 . 1 1 78 78 SER N N 79 117.437 117.437 121.227 -3.790 17842 11904 1 16 . 1 1 78 78 SER C C 79 171.279 171.279 172.441 -1.162 17842 11905 1 16 . 1 1 78 78 SER CA C 79 57.272 57.272 57.111 0.161 17842 11906 1 16 . 1 1 78 78 SER CB C 79 65.596 65.596 64.756 0.840 17842 11907 1 16 . 1 1 78 78 SER H H 79 8.210 8.210 7.914 0.296 17842 11908 1 16 . 1 1 79 79 TYR N N 80 122.901 122.901 128.591 -5.690 17842 11909 1 16 . 1 1 79 79 TYR C C 80 173.757 173.757 173.623 0.134 17842 11910 1 16 . 1 1 79 79 TYR CA C 80 56.243 56.243 56.697 -0.454 17842 11911 1 16 . 1 1 79 79 TYR CB C 80 42.570 42.570 41.309 1.260 17842 11912 1 16 . 1 1 79 79 TYR H H 80 8.092 8.092 8.847 -0.755 17842 11913 1 16 . 1 1 80 80 ASP N N 81 122.808 122.808 126.826 -4.018 17842 11914 1 16 . 1 1 80 80 ASP C C 81 173.607 173.607 173.957 -0.350 17842 11915 1 16 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.993 -0.328 17842 11916 1 16 . 1 1 80 80 ASP CB C 81 45.787 45.787 46.140 -0.353 17842 11917 1 16 . 1 1 80 80 ASP H H 81 8.268 8.268 8.858 -0.590 17842 11918 1 16 . 1 1 81 81 ALA N N 82 121.201 121.201 122.413 -1.212 17842 11919 1 16 . 1 1 81 81 ALA C C 82 177.094 177.094 176.373 0.721 17842 11920 1 16 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.755 -1.010 17842 11921 1 16 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.471 1.040 17842 11922 1 16 . 1 1 81 81 ALA H H 82 8.931 8.931 8.499 0.432 17842 11923 1 16 . 1 1 82 82 PHE N N 83 116.305 116.305 122.542 -6.237 17842 11924 1 16 . 1 1 82 82 PHE C C 83 176.299 176.299 174.388 1.911 17842 11925 1 16 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.600 -2.936 17842 11926 1 16 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.558 0.563 17842 11927 1 16 . 1 1 82 82 PHE H H 83 7.404 7.404 8.337 -0.933 17842 11928 1 16 . 1 1 83 83 LEU N N 84 122.208 122.208 114.501 7.707 17842 11929 1 16 . 1 1 83 83 LEU C C 84 173.599 173.599 174.337 -0.738 17842 11930 1 16 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.532 -0.658 17842 11931 1 16 . 1 1 83 83 LEU CB C 84 45.366 45.366 44.043 1.323 17842 11932 1 16 . 1 1 83 83 LEU H H 84 9.049 9.049 7.730 1.319 17842 11933 1 16 . 1 1 84 84 PRO C C 85 175.877 175.877 177.000 -1.123 17842 11934 1 16 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.446 -0.405 17842 11935 1 16 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.508 -0.022 17842 11936 1 16 . 1 1 85 85 ILE N N 86 119.588 119.588 122.836 -3.248 17842 11937 1 16 . 1 1 85 85 ILE C C 86 175.749 175.749 175.641 0.108 17842 11938 1 16 . 1 1 85 85 ILE CA C 86 59.267 59.267 60.631 -1.364 17842 11939 1 16 . 1 1 85 85 ILE CB C 86 39.835 39.835 36.618 3.217 17842 11940 1 16 . 1 1 85 85 ILE H H 86 8.205 8.205 7.833 0.372 17842 11941 1 16 . 1 1 86 86 GLY N N 87 112.396 112.396 115.025 -2.629 17842 11942 1 16 . 1 1 86 86 GLY C C 87 174.218 174.218 173.686 0.532 17842 11943 1 16 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.443 0.249 17842 11944 1 16 . 1 1 86 86 GLY H H 87 8.364 8.364 8.578 -0.214 17842 11945 1 16 . 1 1 87 87 ASP N N 88 122.109 122.109 119.950 2.159 17842 11946 1 16 . 1 1 87 87 ASP C C 88 175.839 175.839 174.932 0.907 17842 11947 1 16 . 1 1 87 87 ASP CA C 88 53.535 53.535 54.816 -1.281 17842 11948 1 16 . 1 1 87 87 ASP CB C 88 41.132 41.132 41.755 -0.623 17842 11949 1 16 . 1 1 87 87 ASP H H 88 8.249 8.249 8.676 -0.427 17842 11950 1 16 . 1 1 88 88 ASN N N 89 116.308 116.308 117.090 -0.782 17842 11951 1 16 . 1 1 88 88 ASN C C 89 175.100 175.100 174.047 1.053 17842 11952 1 16 . 1 1 88 88 ASN CA C 89 53.922 53.922 53.273 0.649 17842 11953 1 16 . 1 1 88 88 ASN CB C 89 38.183 38.183 38.597 -0.414 17842 11954 1 16 . 1 1 88 88 ASN H H 89 8.449 8.449 8.498 -0.049 17842 11955 1 16 . 1 1 89 89 ASN N N 90 115.987 115.987 118.666 -2.679 17842 11956 1 16 . 1 1 89 89 ASN C C 90 173.909 173.909 174.377 -0.468 17842 11957 1 16 . 1 1 89 89 ASN CA C 90 54.386 54.386 54.073 0.313 17842 11958 1 16 . 1 1 89 89 ASN CB C 90 37.657 37.657 40.399 -2.742 17842 11959 1 16 . 1 1 89 89 ASN H H 90 8.477 8.477 8.597 -0.120 17842 11960 1 16 . 1 1 90 90 THR N N 91 116.991 116.991 109.594 7.397 17842 11961 1 16 . 1 1 90 90 THR C C 91 173.763 173.763 172.848 0.915 17842 11962 1 16 . 1 1 90 90 THR CA C 91 62.170 62.170 61.303 0.867 17842 11963 1 16 . 1 1 90 90 THR CB C 91 68.706 68.706 71.499 -2.793 17842 11964 1 16 . 1 1 90 90 THR H H 91 7.600 7.600 7.740 -0.140 17842 11965 1 16 . 1 1 91 91 LYS N N 92 124.349 124.349 124.364 -0.015 17842 11966 1 16 . 1 1 91 91 LYS C C 92 175.815 175.815 176.239 -0.424 17842 11967 1 16 . 1 1 91 91 LYS CA C 92 54.406 54.406 54.894 -0.488 17842 11968 1 16 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.919 0.579 17842 11969 1 16 . 1 1 91 91 LYS H H 92 9.249 9.249 8.696 0.553 17842 11970 1 16 . 1 1 92 92 LEU N N 93 123.462 123.462 129.087 -5.625 17842 11971 1 16 . 1 1 92 92 LEU C C 93 176.260 176.260 175.864 0.396 17842 11972 1 16 . 1 1 92 92 LEU CA C 93 53.829 53.829 54.881 -1.052 17842 11973 1 16 . 1 1 92 92 LEU CB C 93 43.614 43.614 40.759 2.855 17842 11974 1 16 . 1 1 92 92 LEU H H 93 8.650 8.650 8.166 0.484 17842 11975 1 16 . 1 1 93 93 PHE N N 94 119.497 119.497 122.567 -3.070 17842 11976 1 16 . 1 1 93 93 PHE C C 94 173.154 173.154 174.886 -1.732 17842 11977 1 16 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.657 0.479 17842 11978 1 16 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.361 1.732 17842 11979 1 16 . 1 1 93 93 PHE H H 94 8.485 8.485 7.549 0.936 17842 11980 1 16 . 1 1 94 94 GLY N N 95 105.945 105.945 107.025 -1.080 17842 11981 1 16 . 1 1 94 94 GLY C C 95 171.815 171.815 172.576 -0.761 17842 11982 1 16 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.304 -0.922 17842 11983 1 16 . 1 1 94 94 GLY H H 95 8.256 8.256 8.252 0.004 17842 11984 1 16 . 1 1 95 95 GLY N N 96 110.432 110.432 109.697 0.735 17842 11985 1 16 . 1 1 95 95 GLY C C 96 171.826 171.826 171.968 -0.142 17842 11986 1 16 . 1 1 95 95 GLY CA C 96 46.886 46.886 46.168 0.718 17842 11987 1 16 . 1 1 95 95 GLY H H 96 9.005 9.005 9.018 -0.013 17842 11988 1 16 . 1 1 96 96 ALA N N 97 117.509 117.509 121.698 -4.189 17842 11989 1 16 . 1 1 96 96 ALA C C 97 176.928 176.928 175.316 1.612 17842 11990 1 16 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.464 -1.063 17842 11991 1 16 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.413 1.012 17842 11992 1 16 . 1 1 96 96 ALA H H 97 8.039 8.039 8.270 -0.231 17842 11993 1 16 . 1 1 97 97 THR N N 98 118.891 118.891 113.616 5.275 17842 11994 1 16 . 1 1 97 97 THR C C 98 172.492 172.492 173.007 -0.515 17842 11995 1 16 . 1 1 97 97 THR CA C 98 61.730 61.730 61.513 0.217 17842 11996 1 16 . 1 1 97 97 THR CB C 98 73.046 73.046 71.926 1.120 17842 11997 1 16 . 1 1 97 97 THR H H 98 8.379 8.379 8.096 0.283 17842 11998 1 16 . 1 1 98 98 LEU N N 99 124.958 124.958 124.110 0.848 17842 11999 1 16 . 1 1 98 98 LEU C C 99 175.753 175.753 174.623 1.130 17842 12000 1 16 . 1 1 98 98 LEU CA C 99 53.474 53.474 54.812 -1.338 17842 12001 1 16 . 1 1 98 98 LEU CB C 99 47.243 47.243 46.029 1.214 17842 12002 1 16 . 1 1 98 98 LEU H H 99 8.880 8.880 8.203 0.677 17842 12003 1 16 . 1 1 99 99 GLY N N 100 106.645 106.645 111.648 -5.003 17842 12004 1 16 . 1 1 99 99 GLY C C 100 169.886 169.886 171.646 -1.760 17842 12005 1 16 . 1 1 99 99 GLY CA C 100 46.631 46.631 44.564 2.067 17842 12006 1 16 . 1 1 99 99 GLY H H 100 8.635 8.635 8.175 0.460 17842 12007 1 16 . 1 1 100 100 LEU N N 101 121.823 121.823 119.663 2.160 17842 12008 1 16 . 1 1 100 100 LEU C C 101 174.876 174.876 174.314 0.562 17842 12009 1 16 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.946 -1.875 17842 12010 1 16 . 1 1 100 100 LEU CB C 101 46.646 46.646 47.149 -0.503 17842 12011 1 16 . 1 1 100 100 LEU H H 101 9.088 9.088 8.578 0.510 17842 12012 1 16 . 1 1 101 101 VAL N N 102 118.857 118.857 125.641 -6.784 17842 12013 1 16 . 1 1 101 101 VAL C C 102 174.015 174.015 173.808 0.207 17842 12014 1 16 . 1 1 101 101 VAL CA C 102 59.666 59.666 60.664 -0.998 17842 12015 1 16 . 1 1 101 101 VAL CB C 102 35.406 35.406 34.104 1.302 17842 12016 1 16 . 1 1 101 101 VAL H H 102 8.291 8.291 8.552 -0.261 17842 12017 1 16 . 1 1 102 102 LYS N N 103 126.552 126.552 128.214 -1.662 17842 12018 1 16 . 1 1 102 102 LYS C C 103 174.712 174.712 174.172 0.540 17842 12019 1 16 . 1 1 102 102 LYS CA C 103 54.433 54.433 54.622 -0.189 17842 12020 1 16 . 1 1 102 102 LYS CB C 103 35.733 35.733 36.970 -1.237 17842 12021 1 16 . 1 1 102 102 LYS H H 103 9.141 9.141 7.882 1.259 17842 12022 1 16 . 1 1 103 103 LEU N N 104 129.605 129.605 123.551 6.054 17842 12023 1 16 . 1 1 103 103 LEU C C 104 175.344 175.344 175.657 -0.313 17842 12024 1 16 . 1 1 103 103 LEU CA C 104 53.492 53.492 54.311 -0.819 17842 12025 1 16 . 1 1 103 103 LEU CB C 104 45.004 45.004 43.751 1.253 17842 12026 1 16 . 1 1 103 103 LEU H H 104 8.921 8.921 8.645 0.276 17842 12027 1 16 . 1 1 104 104 GLU C C 105 174.715 174.715 175.061 -0.346 17842 12028 1 16 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.069 -0.443 17842 12029 1 16 . 1 1 104 104 GLU CB C 105 33.055 33.055 32.031 1.024 17842 12030 1 16 . 1 1 105 105 GLN N N 106 121.991 121.991 120.280 1.711 17842 12031 1 16 . 1 1 105 105 GLN C C 106 175.002 175.002 173.811 1.191 17842 12032 1 16 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.344 -0.665 17842 12033 1 16 . 1 1 105 105 GLN CB C 106 30.252 30.252 30.249 0.003 17842 12034 1 16 . 1 1 105 105 GLN H H 106 8.532 8.532 8.257 0.275 17842 12035 1 16 . 1 1 106 106 ASP N N 107 123.884 123.884 120.365 3.519 17842 12036 1 16 . 1 1 106 106 ASP C C 107 176.352 176.352 175.777 0.575 17842 12037 1 16 . 1 1 106 106 ASP CA C 107 54.108 54.108 54.627 -0.519 17842 12038 1 16 . 1 1 106 106 ASP CB C 107 41.448 41.448 41.600 -0.152 17842 12039 1 16 . 1 1 106 106 ASP H H 107 8.414 8.414 8.539 -0.125 17842 12040 1 16 . 1 1 107 107 GLY N N 108 110.294 110.294 111.328 -1.034 17842 12041 1 16 . 1 1 107 107 GLY C C 108 174.111 174.111 175.121 -1.010 17842 12042 1 16 . 1 1 107 107 GLY CA C 108 44.992 44.992 45.729 -0.737 17842 12043 1 16 . 1 1 107 107 GLY H H 108 8.226 8.226 8.796 -0.570 17842 12044 1 16 . 1 1 108 108 LYS N N 109 121.045 121.045 119.862 1.183 17842 12045 1 16 . 1 1 108 108 LYS C C 109 176.988 176.988 177.344 -0.356 17842 12046 1 16 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.151 0.092 17842 12047 1 16 . 1 1 108 108 LYS CB C 109 31.957 31.957 33.254 -1.297 17842 12048 1 16 . 1 1 108 108 LYS H H 109 8.130 8.130 8.269 -0.139 17842 12049 1 16 . 1 1 109 109 GLY N N 110 109.975 109.975 108.800 1.175 17842 12050 1 16 . 1 1 109 109 GLY C C 110 173.856 173.856 173.952 -0.096 17842 12051 1 16 . 1 1 109 109 GLY CA C 110 44.969 44.969 45.126 -0.157 17842 12052 1 16 . 1 1 109 109 GLY H H 110 8.313 8.313 7.925 0.389 17842 12053 1 16 . 1 1 110 110 PHE N N 111 119.873 119.873 119.405 0.468 17842 12054 1 16 . 1 1 110 110 PHE C C 111 175.195 175.195 175.398 -0.203 17842 12055 1 16 . 1 1 110 110 PHE CA C 111 57.334 57.334 57.122 0.212 17842 12056 1 16 . 1 1 110 110 PHE CB C 111 39.311 39.311 40.287 -0.976 17842 12057 1 16 . 1 1 110 110 PHE H H 111 7.848 7.848 8.333 -0.485 17842 12058 1 16 . 1 1 111 111 LYS N N 112 122.900 122.900 121.516 1.384 17842 12059 1 16 . 1 1 111 111 LYS C C 112 175.898 175.898 175.479 0.419 17842 12060 1 16 . 1 1 111 111 LYS CA C 112 55.928 55.928 56.160 -0.232 17842 12061 1 16 . 1 1 111 111 LYS CB C 112 32.741 32.741 34.735 -1.994 17842 12062 1 16 . 1 1 111 111 LYS H H 112 8.073 8.073 8.504 -0.431 17842 12063 1 16 . 1 1 112 112 ARG N N 113 123.302 123.302 121.964 1.338 17842 12064 1 16 . 1 1 112 112 ARG C C 113 175.762 175.762 175.121 0.641 17842 12065 1 16 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.345 -0.468 17842 12066 1 16 . 1 1 112 112 ARG CB C 113 30.678 30.678 31.290 -0.612 17842 12067 1 16 . 1 1 112 112 ARG H H 113 8.277 8.277 8.703 -0.426 17842 12068 1 16 . 1 1 113 113 ASP N N 114 122.193 122.193 122.141 0.052 17842 12069 1 16 . 1 1 113 113 ASP C C 114 175.875 175.875 175.825 0.050 17842 12070 1 16 . 1 1 113 113 ASP CA C 114 54.219 54.219 54.623 -0.404 17842 12071 1 16 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.735 -0.456 17842 12072 1 16 . 1 1 113 113 ASP H H 114 8.300 8.300 8.854 -0.554 17842 12073 1 16 . 1 1 114 114 SER N N 115 114.844 114.844 116.431 -1.587 17842 12074 1 16 . 1 1 114 114 SER C C 115 173.567 173.567 175.525 -1.958 17842 12075 1 16 . 1 1 114 114 SER CA C 115 57.538 57.538 58.905 -1.367 17842 12076 1 16 . 1 1 114 114 SER CB C 115 64.306 64.306 63.937 0.369 17842 12077 1 16 . 1 1 114 114 SER H H 115 8.071 8.071 8.302 -0.231 17842 12078 1 16 . 1 1 115 115 ASP N N 116 122.371 122.371 120.213 2.158 17842 12079 1 16 . 1 1 115 115 ASP C C 116 175.096 175.096 174.589 0.507 17842 12080 1 16 . 1 1 115 115 ASP CA C 116 53.960 53.960 56.647 -2.687 17842 12081 1 16 . 1 1 115 115 ASP CB C 116 42.394 42.394 40.615 1.779 17842 12082 1 16 . 1 1 115 115 ASP H H 116 8.400 8.400 8.483 -0.083 17842 12083 1 16 . 1 1 116 116 VAL N N 117 120.462 120.462 120.222 0.240 17842 12084 1 16 . 1 1 116 116 VAL C C 117 175.349 175.349 174.391 0.958 17842 12085 1 16 . 1 1 116 116 VAL CA C 117 60.785 60.785 61.284 -0.499 17842 12086 1 16 . 1 1 116 116 VAL CB C 117 33.507 33.507 34.036 -0.529 17842 12087 1 16 . 1 1 116 116 VAL H H 117 8.014 8.014 8.148 -0.134 17842 12088 1 16 . 1 1 117 117 GLY N N 118 112.807 112.807 113.702 -0.895 17842 12089 1 16 . 1 1 117 117 GLY C C 118 172.079 172.079 172.567 -0.488 17842 12090 1 16 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.345 -1.090 17842 12091 1 16 . 1 1 117 117 GLY H H 118 8.871 8.871 8.138 0.733 17842 12092 1 16 . 1 1 118 118 TYR N N 119 117.704 117.704 126.379 -8.675 17842 12093 1 16 . 1 1 118 118 TYR C C 119 175.024 175.024 174.162 0.862 17842 12094 1 16 . 1 1 118 118 TYR CA C 119 55.968 55.968 58.299 -2.331 17842 12095 1 16 . 1 1 118 118 TYR CB C 119 41.089 41.089 40.367 0.722 17842 12096 1 16 . 1 1 118 118 TYR H H 119 8.406 8.406 9.319 -0.913 17842 12097 1 16 . 1 1 119 119 ALA N N 120 122.050 122.050 125.842 -3.792 17842 12098 1 16 . 1 1 119 119 ALA C C 120 175.218 175.218 175.552 -0.334 17842 12099 1 16 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.773 -0.112 17842 12100 1 16 . 1 1 119 119 ALA CB C 120 23.187 23.187 22.639 0.548 17842 12101 1 16 . 1 1 119 119 ALA H H 120 8.605 8.605 7.961 0.644 17842 12102 1 16 . 1 1 120 120 ALA N N 121 119.839 119.839 123.886 -4.047 17842 12103 1 16 . 1 1 120 120 ALA C C 121 175.881 175.881 175.837 0.044 17842 12104 1 16 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.230 -1.890 17842 12105 1 16 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.770 0.695 17842 12106 1 16 . 1 1 120 120 ALA H H 121 8.476 8.476 7.988 0.488 17842 12107 1 16 . 1 1 121 121 GLY N N 122 107.807 107.807 108.394 -0.587 17842 12108 1 16 . 1 1 121 121 GLY C C 122 171.191 171.191 171.838 -0.647 17842 12109 1 16 . 1 1 121 121 GLY CA C 122 46.065 46.065 46.006 0.059 17842 12110 1 16 . 1 1 121 121 GLY H H 122 8.931 8.931 8.385 0.546 17842 12111 1 16 . 1 1 122 122 LEU N N 123 118.400 118.400 120.208 -1.808 17842 12112 1 16 . 1 1 122 122 LEU C C 123 174.684 174.684 174.536 0.148 17842 12113 1 16 . 1 1 122 122 LEU CA C 123 53.227 53.227 53.891 -0.664 17842 12114 1 16 . 1 1 122 122 LEU CB C 123 48.385 48.385 47.278 1.107 17842 12115 1 16 . 1 1 122 122 LEU H H 123 8.351 8.351 8.177 0.174 17842 12116 1 16 . 1 1 123 123 GLN N N 124 113.455 113.455 117.932 -4.477 17842 12117 1 16 . 1 1 123 123 GLN C C 124 173.895 173.895 173.634 0.261 17842 12118 1 16 . 1 1 123 123 GLN CA C 124 54.004 54.004 55.545 -1.541 17842 12119 1 16 . 1 1 123 123 GLN CB C 124 28.135 28.135 33.332 -5.197 17842 12120 1 16 . 1 1 123 123 GLN H H 124 8.159 8.159 8.221 -0.062 17842 12121 1 16 . 1 1 124 124 ALA N N 125 118.711 118.711 124.216 -5.505 17842 12122 1 16 . 1 1 124 124 ALA C C 125 174.962 174.962 174.576 0.386 17842 12123 1 16 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.505 -1.709 17842 12124 1 16 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.546 0.460 17842 12125 1 16 . 1 1 124 124 ALA H H 125 8.638 8.638 8.294 0.344 17842 12126 1 16 . 1 1 125 125 GLY N N 126 103.783 103.783 107.029 -3.246 17842 12127 1 16 . 1 1 125 125 GLY C C 126 170.390 170.390 171.343 -0.953 17842 12128 1 16 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.224 1.186 17842 12129 1 16 . 1 1 125 125 GLY H H 126 7.103 7.103 6.748 0.355 17842 12130 1 16 . 1 1 126 126 ILE N N 127 118.306 118.306 114.998 3.308 17842 12131 1 16 . 1 1 126 126 ILE C C 127 172.353 172.353 174.098 -1.745 17842 12132 1 16 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.682 -2.089 17842 12133 1 16 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.311 0.853 17842 12134 1 16 . 1 1 126 126 ILE H H 127 8.564 8.564 8.334 0.230 17842 12135 1 16 . 1 1 127 127 LEU N N 128 129.339 129.339 128.282 1.057 17842 12136 1 16 . 1 1 127 127 LEU C C 128 173.613 173.613 176.244 -2.631 17842 12137 1 16 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.007 -0.478 17842 12138 1 16 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.593 3.211 17842 12139 1 16 . 1 1 127 127 LEU H H 128 9.236 9.236 8.253 0.983 17842 12140 1 16 . 1 1 128 128 GLN N N 129 126.801 126.801 126.063 0.738 17842 12141 1 16 . 1 1 128 128 GLN C C 129 175.093 175.093 175.065 0.028 17842 12142 1 16 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.552 -1.358 17842 12143 1 16 . 1 1 128 128 GLN CB C 129 30.947 30.947 29.902 1.045 17842 12144 1 16 . 1 1 128 128 GLN H H 129 9.352 9.352 8.769 0.583 17842 12145 1 16 . 1 1 129 129 GLU N N 130 126.822 126.822 123.095 3.727 17842 12146 1 16 . 1 1 129 129 GLU C C 130 176.651 176.651 175.718 0.933 17842 12147 1 16 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.564 0.617 17842 12148 1 16 . 1 1 129 129 GLU CB C 130 27.761 27.761 30.909 -3.148 17842 12149 1 16 . 1 1 129 129 GLU H H 130 8.518 8.518 8.848 -0.330 17842 12150 1 16 . 1 1 130 130 LEU N N 131 126.031 126.031 122.706 3.325 17842 12151 1 16 . 1 1 130 130 LEU C C 131 176.044 176.044 177.348 -1.304 17842 12152 1 16 . 1 1 130 130 LEU CA C 131 55.175 55.175 56.089 -0.914 17842 12153 1 16 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.765 0.090 17842 12154 1 16 . 1 1 130 130 LEU H H 131 8.708 8.708 8.361 0.347 17842 12155 1 16 . 1 1 131 131 SER N N 132 113.049 113.049 112.095 0.954 17842 12156 1 16 . 1 1 131 131 SER C C 132 174.092 174.092 173.276 0.816 17842 12157 1 16 . 1 1 131 131 SER CA C 132 55.993 55.993 57.701 -1.708 17842 12158 1 16 . 1 1 131 131 SER CB C 132 64.945 64.945 64.546 0.399 17842 12159 1 16 . 1 1 131 131 SER H H 132 8.282 8.282 7.598 0.684 17842 12160 1 16 . 1 1 132 132 LYS C C 133 176.346 176.346 175.478 0.868 17842 12161 1 16 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.388 2.109 17842 12162 1 16 . 1 1 132 132 LYS CB C 133 31.009 31.009 31.451 -0.442 17842 12163 1 16 . 1 1 133 133 ASN N N 134 110.795 110.795 116.461 -5.666 17842 12164 1 16 . 1 1 133 133 ASN C C 134 173.897 173.897 172.824 1.073 17842 12165 1 16 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.980 -0.402 17842 12166 1 16 . 1 1 133 133 ASN CB C 134 40.830 40.830 40.173 0.657 17842 12167 1 16 . 1 1 133 133 ASN H H 134 7.761 7.761 7.994 -0.233 17842 12168 1 16 . 1 1 134 134 ALA N N 135 122.181 122.181 121.731 0.450 17842 12169 1 16 . 1 1 134 134 ALA C C 135 176.250 176.250 176.000 0.250 17842 12170 1 16 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.078 0.079 17842 12171 1 16 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.020 1.113 17842 12172 1 16 . 1 1 134 134 ALA H H 135 7.562 7.562 7.819 -0.257 17842 12173 1 16 . 1 1 135 135 SER N N 136 114.617 114.617 116.368 -1.751 17842 12174 1 16 . 1 1 135 135 SER C C 136 172.507 172.507 173.235 -0.728 17842 12175 1 16 . 1 1 135 135 SER CA C 136 56.164 56.164 57.212 -1.048 17842 12176 1 16 . 1 1 135 135 SER CB C 136 66.255 66.255 66.853 -0.598 17842 12177 1 16 . 1 1 135 135 SER H H 136 8.717 8.717 8.343 0.374 17842 12178 1 16 . 1 1 136 136 ILE N N 137 114.495 114.495 120.433 -5.938 17842 12179 1 16 . 1 1 136 136 ILE C C 137 173.136 173.136 174.115 -0.979 17842 12180 1 16 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.423 -2.003 17842 12181 1 16 . 1 1 136 136 ILE CB C 137 42.700 42.700 42.340 0.360 17842 12182 1 16 . 1 1 136 136 ILE H H 137 8.592 8.592 8.782 -0.190 17842 12183 1 16 . 1 1 137 137 GLU N N 138 122.016 122.016 123.856 -1.840 17842 12184 1 16 . 1 1 137 137 GLU C C 138 173.792 173.792 175.393 -1.601 17842 12185 1 16 . 1 1 137 137 GLU CA C 138 53.537 53.537 54.270 -0.733 17842 12186 1 16 . 1 1 137 137 GLU CB C 138 35.118 35.118 32.348 2.770 17842 12187 1 16 . 1 1 137 137 GLU H H 138 8.902 8.902 8.654 0.248 17842 12188 1 16 . 1 1 138 138 GLY N N 139 107.847 107.847 110.145 -2.298 17842 12189 1 16 . 1 1 138 138 GLY C C 139 171.817 171.817 172.949 -1.132 17842 12190 1 16 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.157 -1.087 17842 12191 1 16 . 1 1 138 138 GLY H H 139 8.485 8.485 8.321 0.164 17842 12192 1 16 . 1 1 139 139 GLY N N 140 108.290 108.290 111.366 -3.076 17842 12193 1 16 . 1 1 139 139 GLY C C 140 169.172 169.172 172.072 -2.900 17842 12194 1 16 . 1 1 139 139 GLY CA C 140 45.714 45.714 46.244 -0.530 17842 12195 1 16 . 1 1 139 139 GLY H H 140 7.841 7.841 8.943 -1.102 17842 12196 1 16 . 1 1 140 140 TYR N N 141 119.674 119.674 119.884 -0.210 17842 12197 1 16 . 1 1 140 140 TYR C C 141 173.643 173.643 174.216 -0.573 17842 12198 1 16 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.871 -1.692 17842 12199 1 16 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.762 -0.618 17842 12200 1 16 . 1 1 140 140 TYR H H 141 8.726 8.726 8.729 -0.003 17842 12201 1 16 . 1 1 141 141 ARG N N 142 125.021 125.021 118.648 6.373 17842 12202 1 16 . 1 1 141 141 ARG C C 142 173.533 173.533 173.931 -0.398 17842 12203 1 16 . 1 1 141 141 ARG CA C 142 53.813 53.813 55.569 -1.756 17842 12204 1 16 . 1 1 141 141 ARG CB C 142 33.239 33.239 32.179 1.060 17842 12205 1 16 . 1 1 141 141 ARG H H 142 8.502 8.502 8.706 -0.204 17842 12206 1 16 . 1 1 142 142 TYR N N 143 128.805 128.805 124.481 4.324 17842 12207 1 16 . 1 1 142 142 TYR C C 143 173.475 173.475 174.677 -1.202 17842 12208 1 16 . 1 1 142 142 TYR CA C 143 56.428 56.428 57.516 -1.088 17842 12209 1 16 . 1 1 142 142 TYR CB C 143 41.642 41.642 42.240 -0.598 17842 12210 1 16 . 1 1 142 142 TYR H H 143 8.978 8.978 9.161 -0.183 17842 12211 1 16 . 1 1 143 143 LEU N N 144 125.513 125.513 122.969 2.544 17842 12212 1 16 . 1 1 143 143 LEU C C 144 175.370 175.370 175.112 0.258 17842 12213 1 16 . 1 1 143 143 LEU CA C 144 52.893 52.893 55.285 -2.392 17842 12214 1 16 . 1 1 143 143 LEU CB C 144 45.924 45.924 46.502 -0.577 17842 12215 1 16 . 1 1 143 143 LEU H H 144 8.117 8.117 8.682 -0.565 17842 12216 1 16 . 1 1 144 144 ARG N N 145 122.193 122.193 120.593 1.600 17842 12217 1 16 . 1 1 144 144 ARG C C 145 175.452 175.452 175.418 0.034 17842 12218 1 16 . 1 1 144 144 ARG CA C 145 54.077 54.077 54.232 -0.155 17842 12219 1 16 . 1 1 144 144 ARG CB C 145 31.377 31.377 33.526 -2.149 17842 12220 1 16 . 1 1 144 144 ARG H H 145 8.810 8.810 8.713 0.097 17842 12221 1 16 . 1 1 145 145 THR C C 146 172.708 172.708 173.482 -0.774 17842 12222 1 16 . 1 1 145 145 THR CA C 146 59.117 59.117 61.660 -2.543 17842 12223 1 16 . 1 1 145 145 THR CB C 146 70.345 70.345 69.875 0.470 17842 12224 1 16 . 1 1 146 146 ASN N N 147 120.236 120.236 125.318 -5.082 17842 12225 1 16 . 1 1 146 146 ASN C C 147 175.341 175.341 174.737 0.604 17842 12226 1 16 . 1 1 146 146 ASN CA C 147 51.880 51.880 52.818 -0.938 17842 12227 1 16 . 1 1 146 146 ASN CB C 147 38.462 38.462 41.686 -3.224 17842 12228 1 16 . 1 1 146 146 ASN H H 147 8.259 8.259 9.009 -0.750 17842 12229 1 16 . 1 1 147 147 ALA N N 148 124.724 124.724 128.084 -3.360 17842 12230 1 16 . 1 1 147 147 ALA C C 148 176.378 176.378 177.767 -1.389 17842 12231 1 16 . 1 1 147 147 ALA CA C 148 52.179 52.179 52.712 -0.533 17842 12232 1 16 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.405 -0.779 17842 12233 1 16 . 1 1 147 147 ALA H H 148 8.256 8.256 8.900 -0.644 17842 12234 1 16 . 1 1 148 148 SER N N 149 115.670 115.670 110.678 4.992 17842 12235 1 16 . 1 1 148 148 SER C C 149 174.123 174.123 174.420 -0.297 17842 12236 1 16 . 1 1 148 148 SER CA C 149 57.281 57.281 58.849 -1.568 17842 12237 1 16 . 1 1 148 148 SER CB C 149 64.685 64.685 63.235 1.450 17842 12238 1 16 . 1 1 148 148 SER H H 149 8.372 8.372 8.139 0.233 17842 12239 1 16 . 1 1 149 149 THR N N 150 115.292 115.292 113.965 1.327 17842 12240 1 16 . 1 1 149 149 THR C C 150 173.858 173.858 174.432 -0.574 17842 12241 1 16 . 1 1 149 149 THR CA C 150 61.189 61.189 63.306 -2.117 17842 12242 1 16 . 1 1 149 149 THR CB C 150 69.105 69.105 69.569 -0.464 17842 12243 1 16 . 1 1 149 149 THR H H 150 8.228 8.228 8.368 -0.140 17842 12244 1 16 . 1 1 150 150 GLU N N 151 123.244 123.244 121.856 1.388 17842 12245 1 16 . 1 1 150 150 GLU C C 151 176.121 176.121 175.246 0.875 17842 12246 1 16 . 1 1 150 150 GLU CA C 151 56.002 56.002 55.911 0.090 17842 12247 1 16 . 1 1 150 150 GLU CB C 151 29.931 29.931 29.915 0.016 17842 12248 1 16 . 1 1 150 150 GLU H H 151 8.186 8.186 8.190 -0.004 17842 12249 1 16 . 1 1 151 151 MET N N 152 121.600 121.600 115.516 6.084 17842 12250 1 16 . 1 1 151 151 MET C C 152 175.810 175.810 175.850 -0.040 17842 12251 1 16 . 1 1 151 151 MET CA C 152 55.254 55.254 56.333 -1.079 17842 12252 1 16 . 1 1 151 151 MET CB C 152 33.247 33.247 30.478 2.769 17842 12253 1 16 . 1 1 151 151 MET H H 152 8.248 8.248 8.229 0.019 17842 12254 1 16 . 1 1 152 152 THR N N 153 117.486 117.486 116.995 0.491 17842 12255 1 16 . 1 1 152 152 THR C C 153 172.907 172.907 172.887 0.020 17842 12256 1 16 . 1 1 152 152 THR CA C 153 59.365 59.365 59.460 -0.095 17842 12257 1 16 . 1 1 152 152 THR CB C 153 69.366 69.366 70.152 -0.786 17842 12258 1 16 . 1 1 152 152 THR H H 153 8.113 8.113 8.039 0.074 17842 12259 1 16 . 1 1 155 155 GLY C C 156 174.620 174.620 174.113 0.507 17842 12260 1 16 . 1 1 155 155 GLY CA C 156 45.280 45.280 44.903 0.377 17842 12261 1 16 . 1 1 156 156 GLY N N 157 109.059 109.059 110.302 -1.243 17842 12262 1 16 . 1 1 156 156 GLY C C 157 173.801 173.801 173.510 0.291 17842 12263 1 16 . 1 1 156 156 GLY CA C 157 44.929 44.929 45.163 -0.234 17842 12264 1 16 . 1 1 156 156 GLY H H 157 8.175 8.175 8.342 -0.167 17842 12265 1 16 . 1 1 157 157 ASN N N 158 118.630 118.630 122.081 -3.451 17842 12266 1 16 . 1 1 157 157 ASN C C 158 175.025 175.025 175.738 -0.713 17842 12267 1 16 . 1 1 157 157 ASN CA C 158 52.791 52.791 52.788 0.003 17842 12268 1 16 . 1 1 157 157 ASN CB C 158 38.532 38.532 39.233 -0.701 17842 12269 1 16 . 1 1 157 157 ASN H H 158 8.114 8.114 8.226 -0.112 17842 12270 1 16 . 1 1 158 158 LYS N N 159 121.755 121.755 122.681 -0.926 17842 12271 1 16 . 1 1 158 158 LYS C C 159 176.361 176.361 175.946 0.415 17842 12272 1 16 . 1 1 158 158 LYS CA C 159 56.472 56.472 58.282 -1.810 17842 12273 1 16 . 1 1 158 158 LYS CB C 159 32.403 32.403 31.711 0.692 17842 12274 1 16 . 1 1 158 158 LYS H H 159 8.169 8.169 8.404 -0.235 17842 12275 1 16 . 1 1 159 159 LEU N N 160 123.084 123.084 120.595 2.489 17842 12276 1 16 . 1 1 159 159 LEU C C 160 177.408 177.408 177.367 0.041 17842 12277 1 16 . 1 1 159 159 LEU CA C 160 55.162 55.162 54.986 0.176 17842 12278 1 16 . 1 1 159 159 LEU CB C 160 42.690 42.690 42.519 0.171 17842 12279 1 16 . 1 1 159 159 LEU H H 160 8.173 8.173 8.349 -0.176 17842 12280 1 16 . 1 1 160 160 GLY N N 161 109.180 109.180 107.944 1.236 17842 12281 1 16 . 1 1 160 160 GLY C C 161 173.574 173.574 174.233 -0.659 17842 12282 1 16 . 1 1 160 160 GLY CA C 161 44.877 44.877 45.004 -0.127 17842 12283 1 16 . 1 1 160 160 GLY H H 161 8.117 8.117 8.264 -0.147 17842 12284 1 16 . 1 1 161 161 SER N N 162 115.719 115.719 114.516 1.203 17842 12285 1 16 . 1 1 161 161 SER C C 162 173.715 173.715 174.191 -0.476 17842 12286 1 16 . 1 1 161 161 SER CA C 162 57.965 57.965 57.965 0.000 17842 12287 1 16 . 1 1 161 161 SER CB C 162 63.856 63.856 64.100 -0.244 17842 12288 1 16 . 1 1 161 161 SER H H 162 8.064 8.064 8.124 -0.060 17842 12289 1 16 . 1 1 162 162 LEU N N 163 123.433 123.433 122.288 1.145 17842 12290 1 16 . 1 1 162 162 LEU C C 163 175.609 175.609 175.282 0.327 17842 12291 1 16 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.043 -0.658 17842 12292 1 16 . 1 1 162 162 LEU CB C 163 43.046 43.046 42.823 0.223 17842 12293 1 16 . 1 1 162 162 LEU H H 163 8.282 8.282 8.288 -0.006 17842 12294 1 16 . 1 1 163 163 ASP N N 164 122.223 122.223 120.951 1.272 17842 12295 1 16 . 1 1 163 163 ASP C C 164 175.122 175.122 174.955 0.167 17842 12296 1 16 . 1 1 163 163 ASP CA C 164 53.400 53.400 53.794 -0.394 17842 12297 1 16 . 1 1 163 163 ASP CB C 164 41.200 41.200 42.129 -0.929 17842 12298 1 16 . 1 1 163 163 ASP H H 164 8.356 8.356 7.887 0.469 17842 12299 1 16 . 1 1 166 166 SER C C 167 172.472 172.472 173.485 -1.013 17842 12300 1 16 . 1 1 166 166 SER CA C 167 56.760 56.760 57.180 -0.420 17842 12301 1 16 . 1 1 167 167 SER N N 168 115.939 115.939 117.748 -1.809 17842 12302 1 16 . 1 1 167 167 SER C C 168 173.318 173.318 171.747 1.571 17842 12303 1 16 . 1 1 167 167 SER CA C 168 56.763 56.763 57.380 -0.618 17842 12304 1 16 . 1 1 167 167 SER CB C 168 65.286 65.286 65.235 0.051 17842 12305 1 16 . 1 1 167 167 SER H H 168 8.678 8.678 8.323 0.355 17842 12306 1 16 . 1 1 168 168 SER C C 169 172.500 172.500 173.117 -0.617 17842 12307 1 16 . 1 1 168 168 SER CA C 169 56.569 56.569 57.672 -1.103 17842 12308 1 16 . 1 1 168 168 SER CB C 169 65.738 65.738 63.983 1.755 17842 12309 1 16 . 1 1 169 169 GLN N N 170 122.951 122.951 124.575 -1.624 17842 12310 1 16 . 1 1 169 169 GLN C C 170 174.697 174.697 174.595 0.102 17842 12311 1 16 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.466 -0.428 17842 12312 1 16 . 1 1 169 169 GLN CB C 170 32.383 32.383 32.781 -0.398 17842 12313 1 16 . 1 1 169 169 GLN H H 170 8.745 8.745 7.823 0.922 17842 12314 1 16 . 1 1 170 170 PHE N N 171 125.628 125.628 120.589 5.039 17842 12315 1 16 . 1 1 170 170 PHE C C 171 174.628 174.628 175.467 -0.839 17842 12316 1 16 . 1 1 170 170 PHE CA C 171 56.200 56.200 57.810 -1.610 17842 12317 1 16 . 1 1 170 170 PHE CB C 171 41.552 41.552 41.849 -0.297 17842 12318 1 16 . 1 1 170 170 PHE H H 171 7.771 7.771 8.303 -0.532 17842 12319 1 16 . 1 1 171 171 TYR N N 172 121.558 121.558 120.981 0.577 17842 12320 1 16 . 1 1 171 171 TYR C C 172 171.727 171.727 173.983 -2.256 17842 12321 1 16 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.171 -1.125 17842 12322 1 16 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.625 -0.186 17842 12323 1 16 . 1 1 171 171 TYR H H 172 8.696 8.696 9.062 -0.366 17842 12324 1 16 . 1 1 172 172 LEU N N 173 119.230 119.230 128.128 -8.898 17842 12325 1 16 . 1 1 172 172 LEU C C 173 176.352 176.352 174.380 1.972 17842 12326 1 16 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.563 -1.820 17842 12327 1 16 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.022 0.515 17842 12328 1 16 . 1 1 172 172 LEU H H 173 8.971 8.971 8.008 0.963 17842 12329 1 16 . 1 1 173 173 GLY N N 174 107.248 107.248 110.646 -3.398 17842 12330 1 16 . 1 1 173 173 GLY C C 174 170.680 170.680 171.943 -1.263 17842 12331 1 16 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.083 -1.163 17842 12332 1 16 . 1 1 173 173 GLY H H 174 9.085 9.085 9.160 -0.075 17842 12333 1 16 . 1 1 174 174 ALA N N 175 121.461 121.461 121.464 -0.003 17842 12334 1 16 . 1 1 174 174 ALA C C 175 174.546 174.546 175.588 -1.042 17842 12335 1 16 . 1 1 174 174 ALA CA C 175 50.312 50.312 50.034 0.278 17842 12336 1 16 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.219 -0.576 17842 12337 1 16 . 1 1 174 174 ALA H H 175 8.575 8.575 7.965 0.610 17842 12338 1 16 . 1 1 175 175 ASN N N 176 117.370 117.370 117.012 0.358 17842 12339 1 16 . 1 1 175 175 ASN C C 176 173.370 173.370 172.899 0.471 17842 12340 1 16 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.934 -2.335 17842 12341 1 16 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.923 -0.966 17842 12342 1 16 . 1 1 175 175 ASN H H 176 8.762 8.762 8.450 0.312 17842 12343 1 16 . 1 1 176 176 TYR N N 177 122.724 122.724 126.871 -4.147 17842 12344 1 16 . 1 1 176 176 TYR C C 177 173.924 173.924 174.339 -0.415 17842 12345 1 16 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.119 0.319 17842 12346 1 16 . 1 1 176 176 TYR CB C 177 42.401 42.401 41.286 1.115 17842 12347 1 16 . 1 1 176 176 TYR H H 177 9.570 9.570 9.162 0.408 17842 12348 1 16 . 1 1 177 177 LYS N N 178 127.067 127.067 127.083 -0.016 17842 12349 1 16 . 1 1 177 177 LYS C C 178 174.336 174.336 174.715 -0.379 17842 12350 1 16 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.235 -0.992 17842 12351 1 16 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.117 0.834 17842 12352 1 16 . 1 1 177 177 LYS H H 178 8.284 8.284 7.733 0.551 17842 12353 1 17 . 1 1 2 2 ASP N N 3 119.767 119.767 121.447 -1.680 17842 12354 1 17 . 1 1 2 2 ASP C C 3 175.809 175.809 174.928 0.881 17842 12355 1 17 . 1 1 2 2 ASP CA C 3 53.303 53.303 53.735 -0.432 17842 12356 1 17 . 1 1 2 2 ASP CB C 3 42.915 42.915 45.514 -2.599 17842 12357 1 17 . 1 1 2 2 ASP H H 3 8.443 8.443 8.606 -0.163 17842 12358 1 17 . 1 1 3 3 ASN N N 4 123.667 123.667 121.366 2.301 17842 12359 1 17 . 1 1 3 3 ASN C C 4 174.736 174.736 174.752 -0.016 17842 12360 1 17 . 1 1 3 3 ASN CA C 4 52.911 52.911 54.508 -1.597 17842 12361 1 17 . 1 1 3 3 ASN CB C 4 39.160 39.160 39.208 -0.048 17842 12362 1 17 . 1 1 3 3 ASN H H 4 8.923 8.923 8.917 0.006 17842 12363 1 17 . 1 1 4 4 PHE N N 5 118.447 118.447 121.320 -2.873 17842 12364 1 17 . 1 1 4 4 PHE C C 5 172.331 172.331 174.021 -1.690 17842 12365 1 17 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.410 -1.358 17842 12366 1 17 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.398 -0.535 17842 12367 1 17 . 1 1 4 4 PHE H H 5 8.910 8.910 8.130 0.780 17842 12368 1 17 . 1 1 5 5 VAL N N 6 116.195 116.195 116.963 -0.768 17842 12369 1 17 . 1 1 5 5 VAL C C 6 174.144 174.144 174.137 0.007 17842 12370 1 17 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.572 -2.042 17842 12371 1 17 . 1 1 5 5 VAL CB C 6 35.818 35.818 34.837 0.981 17842 12372 1 17 . 1 1 5 5 VAL H H 6 8.903 8.903 8.924 -0.021 17842 12373 1 17 . 1 1 6 6 GLY N N 7 110.150 110.150 112.682 -2.532 17842 12374 1 17 . 1 1 6 6 GLY C C 7 170.825 170.825 171.841 -1.016 17842 12375 1 17 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.312 0.906 17842 12376 1 17 . 1 1 6 6 GLY H H 7 8.670 8.670 8.671 -0.001 17842 12377 1 17 . 1 1 7 7 LEU N N 8 120.059 120.059 118.826 1.233 17842 12378 1 17 . 1 1 7 7 LEU C C 8 175.596 175.596 174.953 0.643 17842 12379 1 17 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.032 -1.099 17842 12380 1 17 . 1 1 7 7 LEU CB C 8 47.663 47.663 46.150 1.514 17842 12381 1 17 . 1 1 7 7 LEU H H 8 8.562 8.562 7.775 0.787 17842 12382 1 17 . 1 1 8 8 THR N N 9 112.180 112.180 111.280 0.900 17842 12383 1 17 . 1 1 8 8 THR C C 9 172.942 172.942 172.558 0.384 17842 12384 1 17 . 1 1 8 8 THR CA C 9 59.539 59.539 60.977 -1.438 17842 12385 1 17 . 1 1 8 8 THR CB C 9 70.735 70.735 70.840 -0.104 17842 12386 1 17 . 1 1 8 8 THR H H 9 9.114 9.114 8.028 1.086 17842 12387 1 17 . 1 1 9 9 TRP N N 10 121.476 121.476 123.169 -1.693 17842 12388 1 17 . 1 1 9 9 TRP C C 10 174.622 174.622 175.910 -1.288 17842 12389 1 17 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.686 0.732 17842 12390 1 17 . 1 1 9 9 TRP CB C 10 31.877 31.877 33.099 -1.222 17842 12391 1 17 . 1 1 9 9 TRP H H 10 9.022 9.022 8.747 0.275 17842 12392 1 17 . 1 1 10 10 GLY N N 11 112.750 112.750 110.905 1.845 17842 12393 1 17 . 1 1 10 10 GLY C C 11 171.655 171.655 172.771 -1.116 17842 12394 1 17 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.765 1.175 17842 12395 1 17 . 1 1 10 10 GLY H H 11 7.798 7.798 8.899 -1.101 17842 12396 1 17 . 1 1 11 11 GLU N N 12 117.292 117.292 123.601 -6.309 17842 12397 1 17 . 1 1 11 11 GLU C C 12 175.810 175.810 175.881 -0.071 17842 12398 1 17 . 1 1 11 11 GLU CA C 12 53.743 53.743 54.423 -0.680 17842 12399 1 17 . 1 1 11 11 GLU CB C 12 31.361 31.361 31.627 -0.265 17842 12400 1 17 . 1 1 11 11 GLU H H 12 8.223 8.223 8.656 -0.433 17842 12401 1 17 . 1 1 12 12 THR N N 13 123.477 123.477 119.668 3.809 17842 12402 1 17 . 1 1 12 12 THR C C 13 174.233 174.233 174.203 0.030 17842 12403 1 17 . 1 1 12 12 THR CA C 13 61.872 61.872 62.102 -0.230 17842 12404 1 17 . 1 1 12 12 THR CB C 13 69.374 69.374 69.385 -0.010 17842 12405 1 17 . 1 1 12 12 THR H H 13 8.722 8.722 8.083 0.639 17842 12406 1 17 . 1 1 13 13 SER N N 14 122.220 122.220 122.313 -0.093 17842 12407 1 17 . 1 1 13 13 SER C C 14 173.577 173.577 173.966 -0.389 17842 12408 1 17 . 1 1 13 13 SER CA C 14 56.934 56.934 58.375 -1.441 17842 12409 1 17 . 1 1 13 13 SER CB C 14 64.249 64.249 64.778 -0.529 17842 12410 1 17 . 1 1 13 13 SER H H 14 9.225 9.225 8.632 0.593 17842 12411 1 17 . 1 1 14 14 ASN N N 15 125.159 125.159 122.699 2.460 17842 12412 1 17 . 1 1 14 14 ASN C C 15 174.673 174.673 175.221 -0.548 17842 12413 1 17 . 1 1 14 14 ASN CA C 15 51.888 51.888 53.669 -1.781 17842 12414 1 17 . 1 1 14 14 ASN CB C 15 39.777 39.777 38.983 0.794 17842 12415 1 17 . 1 1 14 14 ASN H H 15 8.745 8.745 8.601 0.144 17842 12416 1 17 . 1 1 15 15 ASN N N 16 120.330 120.330 119.824 0.506 17842 12417 1 17 . 1 1 15 15 ASN C C 16 175.886 175.886 175.265 0.621 17842 12418 1 17 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.196 -0.416 17842 12419 1 17 . 1 1 15 15 ASN CB C 16 38.595 38.595 38.622 -0.027 17842 12420 1 17 . 1 1 15 15 ASN H H 16 8.494 8.494 8.229 0.265 17842 12421 1 17 . 1 1 20 20 LYS C C 21 176.705 176.705 175.758 0.947 17842 12422 1 17 . 1 1 20 20 LYS CA C 21 56.683 56.683 55.376 1.307 17842 12423 1 17 . 1 1 21 21 SER N N 22 115.966 115.966 115.980 -0.014 17842 12424 1 17 . 1 1 21 21 SER C C 22 174.564 174.564 173.384 1.180 17842 12425 1 17 . 1 1 21 21 SER CA C 22 58.149 58.149 57.846 0.303 17842 12426 1 17 . 1 1 21 21 SER CB C 22 63.308 63.308 63.819 -0.511 17842 12427 1 17 . 1 1 21 21 SER H H 22 8.053 8.053 8.289 -0.236 17842 12428 1 17 . 1 1 22 22 LEU N N 23 123.751 123.751 122.840 0.911 17842 12429 1 17 . 1 1 22 22 LEU C C 23 176.968 176.968 176.498 0.470 17842 12430 1 17 . 1 1 22 22 LEU CA C 23 55.269 55.269 55.286 -0.017 17842 12431 1 17 . 1 1 22 22 LEU CB C 23 42.334 42.334 42.518 -0.184 17842 12432 1 17 . 1 1 22 22 LEU H H 23 8.006 8.006 8.271 -0.265 17842 12433 1 17 . 1 1 23 23 ASN N N 24 118.937 118.937 120.524 -1.587 17842 12434 1 17 . 1 1 23 23 ASN C C 24 175.119 175.119 174.265 0.854 17842 12435 1 17 . 1 1 23 23 ASN CA C 24 52.993 52.993 53.484 -0.492 17842 12436 1 17 . 1 1 23 23 ASN CB C 24 38.255 38.255 39.047 -0.792 17842 12437 1 17 . 1 1 23 23 ASN H H 24 8.136 8.136 8.651 -0.515 17842 12438 1 17 . 1 1 24 24 ARG N N 25 121.500 121.500 120.144 1.356 17842 12439 1 17 . 1 1 24 24 ARG C C 25 175.849 175.849 173.957 1.892 17842 12440 1 17 . 1 1 24 24 ARG CA C 25 56.368 56.368 56.588 -0.220 17842 12441 1 17 . 1 1 24 24 ARG CB C 25 30.366 30.366 29.869 0.496 17842 12442 1 17 . 1 1 24 24 ARG H H 25 8.097 8.097 8.362 -0.265 17842 12443 1 17 . 1 1 25 25 ASN N N 26 119.196 119.196 122.132 -2.936 17842 12444 1 17 . 1 1 25 25 ASN C C 26 175.122 175.122 174.803 0.319 17842 12445 1 17 . 1 1 25 25 ASN CA C 26 53.061 53.061 52.637 0.424 17842 12446 1 17 . 1 1 25 25 ASN CB C 26 38.291 38.291 39.980 -1.689 17842 12447 1 17 . 1 1 25 25 ASN H H 26 8.278 8.278 8.307 -0.029 17842 12448 1 17 . 1 1 26 26 LEU N N 27 122.352 122.352 123.382 -1.030 17842 12449 1 17 . 1 1 26 26 LEU C C 27 176.903 176.903 177.701 -0.798 17842 12450 1 17 . 1 1 26 26 LEU CA C 27 55.326 55.326 55.898 -0.572 17842 12451 1 17 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.540 -0.354 17842 12452 1 17 . 1 1 26 26 LEU H H 27 7.992 7.992 8.574 -0.582 17842 12453 1 17 . 1 1 27 27 ASN N N 28 118.444 118.444 117.819 0.625 17842 12454 1 17 . 1 1 27 27 ASN C C 28 174.754 174.754 173.912 0.842 17842 12455 1 17 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.138 -0.178 17842 12456 1 17 . 1 1 27 27 ASN CB C 28 38.419 38.419 38.233 0.186 17842 12457 1 17 . 1 1 27 27 ASN H H 28 8.216 8.216 8.340 -0.124 17842 12458 1 17 . 1 1 28 28 SER N N 29 116.471 116.471 117.840 -1.369 17842 12459 1 17 . 1 1 28 28 SER C C 29 172.778 172.778 173.567 -0.789 17842 12460 1 17 . 1 1 28 28 SER CA C 29 55.982 55.982 55.136 0.846 17842 12461 1 17 . 1 1 28 28 SER CB C 29 63.179 63.179 63.624 -0.445 17842 12462 1 17 . 1 1 28 28 SER H H 29 7.833 7.833 8.049 -0.216 17842 12463 1 17 . 1 1 29 29 PRO C C 30 176.535 176.535 175.856 0.679 17842 12464 1 17 . 1 1 29 29 PRO CA C 30 63.458 63.458 62.760 0.698 17842 12465 1 17 . 1 1 29 29 PRO CB C 30 31.672 31.672 30.377 1.295 17842 12466 1 17 . 1 1 30 30 ASN N N 31 118.189 118.189 119.046 -0.857 17842 12467 1 17 . 1 1 30 30 ASN C C 31 175.075 175.075 173.678 1.397 17842 12468 1 17 . 1 1 30 30 ASN CA C 31 53.051 53.051 53.795 -0.744 17842 12469 1 17 . 1 1 30 30 ASN CB C 31 38.277 38.277 39.827 -1.550 17842 12470 1 17 . 1 1 30 30 ASN H H 31 8.231 8.231 8.272 -0.041 17842 12471 1 17 . 1 1 31 31 LEU N N 32 122.838 122.838 125.289 -2.451 17842 12472 1 17 . 1 1 31 31 LEU C C 32 176.800 176.800 176.337 0.463 17842 12473 1 17 . 1 1 31 31 LEU CA C 32 55.107 55.107 55.135 -0.028 17842 12474 1 17 . 1 1 31 31 LEU CB C 32 42.291 42.291 41.764 0.527 17842 12475 1 17 . 1 1 31 31 LEU H H 32 8.011 8.011 8.392 -0.381 17842 12476 1 17 . 1 1 32 32 ASP N N 33 120.740 120.740 125.432 -4.692 17842 12477 1 17 . 1 1 32 32 ASP C C 33 175.863 175.863 175.914 -0.051 17842 12478 1 17 . 1 1 32 32 ASP CA C 33 54.331 54.331 53.911 0.420 17842 12479 1 17 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.355 -0.597 17842 12480 1 17 . 1 1 32 32 ASP H H 33 8.151 8.151 8.606 -0.455 17842 12481 1 17 . 1 1 33 33 LYS N N 34 120.746 120.746 121.807 -1.061 17842 12482 1 17 . 1 1 33 33 LYS C C 34 175.912 175.912 175.969 -0.057 17842 12483 1 17 . 1 1 33 33 LYS CA C 34 55.865 55.865 55.852 0.013 17842 12484 1 17 . 1 1 33 33 LYS CB C 34 32.738 32.738 31.789 0.949 17842 12485 1 17 . 1 1 33 33 LYS H H 34 7.933 7.933 8.369 -0.436 17842 12486 1 17 . 1 1 34 34 VAL N N 35 121.590 121.590 117.798 3.792 17842 12487 1 17 . 1 1 34 34 VAL C C 35 175.691 175.691 175.870 -0.179 17842 12488 1 17 . 1 1 34 34 VAL CA C 35 62.186 62.186 63.335 -1.149 17842 12489 1 17 . 1 1 34 34 VAL CB C 35 32.591 32.591 31.668 0.923 17842 12490 1 17 . 1 1 34 34 VAL H H 35 7.995 7.995 7.420 0.575 17842 12491 1 17 . 1 1 35 35 ILE N N 36 124.025 124.025 124.524 -0.499 17842 12492 1 17 . 1 1 35 35 ILE C C 36 175.266 175.266 175.867 -0.601 17842 12493 1 17 . 1 1 35 35 ILE CA C 36 60.495 60.495 62.097 -1.602 17842 12494 1 17 . 1 1 35 35 ILE CB C 36 38.489 38.489 37.861 0.628 17842 12495 1 17 . 1 1 35 35 ILE H H 36 8.034 8.034 8.526 -0.492 17842 12496 1 17 . 1 1 36 36 ASP N N 37 125.860 125.860 120.618 5.242 17842 12497 1 17 . 1 1 36 36 ASP C C 37 175.014 175.014 174.678 0.336 17842 12498 1 17 . 1 1 36 36 ASP CA C 37 53.719 53.719 54.662 -0.943 17842 12499 1 17 . 1 1 36 36 ASP CB C 37 41.755 41.755 39.600 2.155 17842 12500 1 17 . 1 1 36 36 ASP H H 37 8.190 8.190 8.326 -0.136 17842 12501 1 17 . 1 1 37 37 ASN N N 38 120.770 120.770 117.467 3.303 17842 12502 1 17 . 1 1 37 37 ASN C C 38 174.821 174.821 175.458 -0.637 17842 12503 1 17 . 1 1 37 37 ASN CA C 38 53.157 53.157 54.318 -1.161 17842 12504 1 17 . 1 1 37 37 ASN CB C 38 38.663 38.663 38.637 0.026 17842 12505 1 17 . 1 1 37 37 ASN H H 38 8.334 8.334 8.571 -0.237 17842 12506 1 17 . 1 1 38 38 THR N N 39 115.976 115.976 110.151 5.825 17842 12507 1 17 . 1 1 38 38 THR C C 39 175.226 175.226 174.465 0.761 17842 12508 1 17 . 1 1 38 38 THR CA C 39 62.215 62.215 62.146 0.069 17842 12509 1 17 . 1 1 38 38 THR CB C 39 69.618 69.618 70.530 -0.912 17842 12510 1 17 . 1 1 38 38 THR H H 39 8.508 8.508 8.436 0.072 17842 12511 1 17 . 1 1 39 39 GLY N N 40 115.818 115.818 110.761 5.057 17842 12512 1 17 . 1 1 39 39 GLY C C 40 172.862 172.862 172.526 0.336 17842 12513 1 17 . 1 1 39 39 GLY CA C 40 46.168 46.168 44.721 1.447 17842 12514 1 17 . 1 1 39 39 GLY H H 40 8.819 8.819 8.314 0.505 17842 12515 1 17 . 1 1 40 40 THR N N 41 119.787 119.787 114.798 4.989 17842 12516 1 17 . 1 1 40 40 THR C C 41 172.914 172.914 172.599 0.315 17842 12517 1 17 . 1 1 40 40 THR CA C 41 61.321 61.321 60.693 0.628 17842 12518 1 17 . 1 1 40 40 THR CB C 41 71.499 71.499 71.887 -0.388 17842 12519 1 17 . 1 1 40 40 THR H H 41 8.117 8.117 7.816 0.301 17842 12520 1 17 . 1 1 41 41 TRP N N 42 128.090 128.090 127.342 0.748 17842 12521 1 17 . 1 1 41 41 TRP C C 42 174.627 174.627 174.692 -0.065 17842 12522 1 17 . 1 1 41 41 TRP CA C 42 55.122 55.122 56.213 -1.091 17842 12523 1 17 . 1 1 41 41 TRP CB C 42 31.905 31.905 32.944 -1.039 17842 12524 1 17 . 1 1 41 41 TRP H H 42 8.178 8.178 8.891 -0.713 17842 12525 1 17 . 1 1 42 42 GLY N N 43 109.883 109.883 113.709 -3.826 17842 12526 1 17 . 1 1 42 42 GLY C C 43 172.317 172.317 171.842 0.475 17842 12527 1 17 . 1 1 42 42 GLY CA C 43 44.176 44.176 44.929 -0.753 17842 12528 1 17 . 1 1 42 42 GLY H H 43 8.892 8.892 8.383 0.509 17842 12529 1 17 . 1 1 43 43 ILE N N 44 118.005 118.005 115.277 2.728 17842 12530 1 17 . 1 1 43 43 ILE C C 44 173.071 173.071 173.829 -0.758 17842 12531 1 17 . 1 1 43 43 ILE CA C 44 58.606 58.606 58.621 -0.015 17842 12532 1 17 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.837 0.294 17842 12533 1 17 . 1 1 43 43 ILE H H 44 8.879 8.879 7.763 1.116 17842 12534 1 17 . 1 1 44 44 ARG N N 45 120.855 120.855 119.838 1.017 17842 12535 1 17 . 1 1 44 44 ARG C C 45 174.942 174.942 174.549 0.393 17842 12536 1 17 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.398 -1.509 17842 12537 1 17 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.757 -0.805 17842 12538 1 17 . 1 1 44 44 ARG H H 45 8.708 8.708 8.819 -0.111 17842 12539 1 17 . 1 1 45 45 ALA N N 46 119.127 119.127 127.329 -8.202 17842 12540 1 17 . 1 1 45 45 ALA C C 46 175.693 175.693 175.089 0.604 17842 12541 1 17 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.261 -1.641 17842 12542 1 17 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.583 0.199 17842 12543 1 17 . 1 1 45 45 ALA H H 46 8.419 8.419 8.227 0.192 17842 12544 1 17 . 1 1 46 46 GLY N N 47 107.350 107.350 109.862 -2.512 17842 12545 1 17 . 1 1 46 46 GLY C C 47 171.353 171.353 172.083 -0.730 17842 12546 1 17 . 1 1 46 46 GLY CA C 47 45.630 45.630 46.011 -0.381 17842 12547 1 17 . 1 1 46 46 GLY H H 47 7.819 7.819 9.270 -1.451 17842 12548 1 17 . 1 1 47 47 GLN N N 48 118.061 118.061 118.801 -0.740 17842 12549 1 17 . 1 1 47 47 GLN C C 48 173.671 173.671 174.002 -0.331 17842 12550 1 17 . 1 1 47 47 GLN CA C 48 54.365 54.365 55.023 -0.658 17842 12551 1 17 . 1 1 47 47 GLN CB C 48 32.912 32.912 31.684 1.228 17842 12552 1 17 . 1 1 47 47 GLN H H 48 8.483 8.483 8.270 0.213 17842 12553 1 17 . 1 1 48 48 GLN N N 49 122.691 122.691 123.494 -0.803 17842 12554 1 17 . 1 1 48 48 GLN C C 49 173.291 173.291 174.453 -1.162 17842 12555 1 17 . 1 1 48 48 GLN CA C 49 54.593 54.593 56.276 -1.683 17842 12556 1 17 . 1 1 48 48 GLN CB C 49 30.750 30.750 31.329 -0.579 17842 12557 1 17 . 1 1 48 48 GLN H H 49 9.319 9.319 9.313 0.006 17842 12558 1 17 . 1 1 49 49 PHE N N 50 126.379 126.379 125.012 1.367 17842 12559 1 17 . 1 1 49 49 PHE C C 50 175.918 175.918 176.056 -0.138 17842 12560 1 17 . 1 1 49 49 PHE CA C 50 55.013 55.013 55.982 -0.969 17842 12561 1 17 . 1 1 49 49 PHE CB C 50 39.974 39.974 42.040 -2.066 17842 12562 1 17 . 1 1 49 49 PHE H H 50 8.781 8.781 9.390 -0.609 17842 12563 1 17 . 1 1 50 50 GLU N N 51 121.087 121.087 121.295 -0.208 17842 12564 1 17 . 1 1 50 50 GLU C C 51 178.452 178.452 176.190 2.262 17842 12565 1 17 . 1 1 50 50 GLU CA C 51 60.435 60.435 58.743 1.692 17842 12566 1 17 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.236 -0.550 17842 12567 1 17 . 1 1 50 50 GLU H H 51 8.975 8.975 7.649 1.327 17842 12568 1 17 . 1 1 51 51 GLN N N 52 111.198 111.198 116.051 -4.853 17842 12569 1 17 . 1 1 51 51 GLN C C 52 176.031 176.031 175.007 1.024 17842 12570 1 17 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.211 0.625 17842 12571 1 17 . 1 1 51 51 GLN CB C 52 28.617 28.617 30.001 -1.384 17842 12572 1 17 . 1 1 51 51 GLN H H 52 7.955 7.955 7.700 0.255 17842 12573 1 17 . 1 1 52 52 GLY N N 53 110.800 110.800 106.837 3.963 17842 12574 1 17 . 1 1 52 52 GLY C C 53 169.076 169.076 172.163 -3.087 17842 12575 1 17 . 1 1 52 52 GLY CA C 53 45.303 45.303 46.178 -0.875 17842 12576 1 17 . 1 1 52 52 GLY H H 53 6.696 6.696 7.441 -0.745 17842 12577 1 17 . 1 1 53 53 ARG N N 54 111.857 111.857 120.053 -8.196 17842 12578 1 17 . 1 1 53 53 ARG C C 54 172.397 172.397 173.800 -1.403 17842 12579 1 17 . 1 1 53 53 ARG CA C 54 54.227 54.227 55.827 -1.600 17842 12580 1 17 . 1 1 53 53 ARG CB C 54 31.755 31.755 34.449 -2.694 17842 12581 1 17 . 1 1 53 53 ARG H H 54 8.216 8.216 9.272 -1.056 17842 12582 1 17 . 1 1 54 54 TYR N N 55 116.379 116.379 128.840 -12.461 17842 12583 1 17 . 1 1 54 54 TYR C C 55 175.461 175.461 174.234 1.227 17842 12584 1 17 . 1 1 54 54 TYR CA C 55 55.296 55.296 55.118 0.178 17842 12585 1 17 . 1 1 54 54 TYR CB C 55 41.539 41.539 41.703 -0.164 17842 12586 1 17 . 1 1 54 54 TYR H H 55 8.477 8.477 8.986 -0.509 17842 12587 1 17 . 1 1 55 55 TYR N N 56 114.651 114.651 119.179 -4.528 17842 12588 1 17 . 1 1 55 55 TYR C C 56 173.431 173.431 172.279 1.152 17842 12589 1 17 . 1 1 55 55 TYR CA C 56 55.886 55.886 56.373 -0.487 17842 12590 1 17 . 1 1 55 55 TYR CB C 56 37.595 37.595 38.690 -1.095 17842 12591 1 17 . 1 1 55 55 TYR H H 56 8.221 8.221 7.255 0.966 17842 12592 1 17 . 1 1 56 56 ALA N N 57 125.460 125.460 125.330 0.130 17842 12593 1 17 . 1 1 56 56 ALA C C 57 175.737 175.737 176.372 -0.635 17842 12594 1 17 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.060 -0.912 17842 12595 1 17 . 1 1 56 56 ALA CB C 57 20.777 20.777 21.071 -0.294 17842 12596 1 17 . 1 1 56 56 ALA H H 57 9.034 9.034 8.007 1.027 17842 12597 1 17 . 1 1 57 57 THR N N 58 116.923 116.923 115.910 1.013 17842 12598 1 17 . 1 1 57 57 THR C C 58 173.462 173.462 173.198 0.264 17842 12599 1 17 . 1 1 57 57 THR CA C 58 61.458 61.458 61.165 0.293 17842 12600 1 17 . 1 1 57 57 THR CB C 58 71.683 71.683 71.614 0.069 17842 12601 1 17 . 1 1 57 57 THR H H 58 8.907 8.907 8.363 0.544 17842 12602 1 17 . 1 1 58 58 TYR N N 59 126.784 126.784 128.346 -1.562 17842 12603 1 17 . 1 1 58 58 TYR C C 59 173.954 173.954 174.662 -0.708 17842 12604 1 17 . 1 1 58 58 TYR CA C 59 55.682 55.682 55.634 0.048 17842 12605 1 17 . 1 1 58 58 TYR CB C 59 41.320 41.320 38.875 2.445 17842 12606 1 17 . 1 1 58 58 TYR H H 59 8.974 8.974 8.357 0.617 17842 12607 1 17 . 1 1 59 59 GLU N N 60 124.211 124.211 125.954 -1.743 17842 12608 1 17 . 1 1 59 59 GLU C C 60 173.989 173.989 175.758 -1.769 17842 12609 1 17 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.696 -1.772 17842 12610 1 17 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.914 -0.172 17842 12611 1 17 . 1 1 59 59 GLU H H 60 8.049 8.049 9.032 -0.983 17842 12612 1 17 . 1 1 60 60 ASN N N 61 118.358 118.358 117.003 1.355 17842 12613 1 17 . 1 1 60 60 ASN C C 61 173.609 173.609 173.867 -0.258 17842 12614 1 17 . 1 1 60 60 ASN CA C 61 52.281 52.281 52.928 -0.647 17842 12615 1 17 . 1 1 60 60 ASN H H 61 8.155 8.155 8.143 0.012 17842 12616 1 17 . 1 1 61 61 ILE C C 62 174.902 174.902 175.209 -0.307 17842 12617 1 17 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.052 0.928 17842 12618 1 17 . 1 1 61 61 ILE CB C 62 40.772 40.772 39.895 0.877 17842 12619 1 17 . 1 1 62 62 SER N N 63 121.368 121.368 123.600 -2.232 17842 12620 1 17 . 1 1 62 62 SER C C 63 173.027 173.027 174.210 -1.183 17842 12621 1 17 . 1 1 62 62 SER CA C 63 57.295 57.295 58.182 -0.887 17842 12622 1 17 . 1 1 62 62 SER CB C 63 64.306 64.306 63.311 0.995 17842 12623 1 17 . 1 1 62 62 SER H H 63 8.339 8.339 8.740 -0.401 17842 12624 1 17 . 1 1 63 63 ASP N N 64 124.300 124.300 126.554 -2.254 17842 12625 1 17 . 1 1 63 63 ASP C C 64 176.570 176.570 175.654 0.916 17842 12626 1 17 . 1 1 63 63 ASP CA C 64 53.291 53.291 53.228 0.063 17842 12627 1 17 . 1 1 63 63 ASP CB C 64 42.484 42.484 41.823 0.661 17842 12628 1 17 . 1 1 63 63 ASP H H 64 8.596 8.596 8.350 0.246 17842 12629 1 17 . 1 1 64 64 THR N N 65 116.756 116.756 111.988 4.768 17842 12630 1 17 . 1 1 64 64 THR C C 65 175.975 175.975 175.395 0.580 17842 12631 1 17 . 1 1 64 64 THR CA C 65 61.608 61.608 61.658 -0.050 17842 12632 1 17 . 1 1 64 64 THR CB C 65 68.856 68.856 69.891 -1.035 17842 12633 1 17 . 1 1 64 64 THR H H 65 8.581 8.581 7.909 0.672 17842 12634 1 17 . 1 1 65 65 SER N N 66 119.276 119.276 117.444 1.832 17842 12635 1 17 . 1 1 65 65 SER CA C 66 59.728 59.728 60.538 -0.810 17842 12636 1 17 . 1 1 65 65 SER CB C 66 63.514 63.514 63.276 0.238 17842 12637 1 17 . 1 1 65 65 SER H H 66 8.492 8.492 8.761 -0.269 17842 12638 1 17 . 1 1 66 66 SER C C 67 175.122 175.122 174.947 0.175 17842 12639 1 17 . 1 1 66 66 SER CA C 67 58.554 58.554 59.239 -0.685 17842 12640 1 17 . 1 1 67 67 GLY N N 68 110.266 110.266 109.336 0.930 17842 12641 1 17 . 1 1 67 67 GLY C C 68 173.832 173.832 173.186 0.646 17842 12642 1 17 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.329 0.878 17842 12643 1 17 . 1 1 67 67 GLY H H 68 8.184 8.184 7.572 0.612 17842 12644 1 17 . 1 1 68 68 ASN N N 69 118.584 118.584 118.830 -0.246 17842 12645 1 17 . 1 1 68 68 ASN C C 69 174.239 174.239 176.196 -1.957 17842 12646 1 17 . 1 1 68 68 ASN CA C 69 52.730 52.730 53.212 -0.481 17842 12647 1 17 . 1 1 68 68 ASN CB C 69 38.938 38.938 38.982 -0.044 17842 12648 1 17 . 1 1 68 68 ASN H H 69 7.972 7.972 8.397 -0.425 17842 12649 1 17 . 1 1 72 72 GLN C C 73 173.610 173.610 174.479 -0.869 17842 12650 1 17 . 1 1 72 72 GLN CA C 73 53.449 53.449 55.231 -1.782 17842 12651 1 17 . 1 1 73 73 GLN N N 74 123.659 123.659 117.147 6.512 17842 12652 1 17 . 1 1 73 73 GLN C C 74 173.276 173.276 173.545 -0.269 17842 12653 1 17 . 1 1 73 73 GLN CA C 74 53.544 53.544 55.093 -1.549 17842 12654 1 17 . 1 1 73 73 GLN CB C 74 34.344 34.344 32.281 2.063 17842 12655 1 17 . 1 1 73 73 GLN H H 74 8.697 8.697 8.337 0.360 17842 12656 1 17 . 1 1 74 74 ASN N N 75 118.720 118.720 123.980 -5.260 17842 12657 1 17 . 1 1 74 74 ASN C C 75 173.733 173.733 172.547 1.186 17842 12658 1 17 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.581 -2.312 17842 12659 1 17 . 1 1 74 74 ASN CB C 75 40.070 40.070 42.495 -2.425 17842 12660 1 17 . 1 1 74 74 ASN H H 75 8.295 8.295 9.101 -0.806 17842 12661 1 17 . 1 1 75 75 LEU N N 76 124.353 124.353 128.122 -3.769 17842 12662 1 17 . 1 1 75 75 LEU C C 76 174.267 174.267 174.230 0.037 17842 12663 1 17 . 1 1 75 75 LEU CA C 76 53.916 53.916 53.224 0.692 17842 12664 1 17 . 1 1 75 75 LEU CB C 76 44.633 44.633 44.403 0.230 17842 12665 1 17 . 1 1 75 75 LEU H H 76 8.847 8.847 7.850 0.997 17842 12666 1 17 . 1 1 76 76 LEU N N 77 124.437 124.437 120.925 3.512 17842 12667 1 17 . 1 1 76 76 LEU C C 77 175.188 175.188 174.650 0.538 17842 12668 1 17 . 1 1 76 76 LEU CA C 77 52.934 52.934 52.963 -0.029 17842 12669 1 17 . 1 1 76 76 LEU CB C 77 45.115 45.115 45.657 -0.542 17842 12670 1 17 . 1 1 76 76 LEU H H 77 9.222 9.222 7.859 1.363 17842 12671 1 17 . 1 1 77 77 GLY N N 78 107.288 107.288 107.459 -0.171 17842 12672 1 17 . 1 1 77 77 GLY C C 78 171.733 171.733 173.674 -1.941 17842 12673 1 17 . 1 1 77 77 GLY CA C 78 44.160 44.160 44.020 0.140 17842 12674 1 17 . 1 1 77 77 GLY H H 78 9.132 9.132 8.394 0.738 17842 12675 1 17 . 1 1 78 78 SER N N 79 117.437 117.437 121.692 -4.255 17842 12676 1 17 . 1 1 78 78 SER C C 79 171.279 171.279 173.272 -1.993 17842 12677 1 17 . 1 1 78 78 SER CA C 79 57.272 57.272 56.443 0.829 17842 12678 1 17 . 1 1 78 78 SER CB C 79 65.596 65.596 64.212 1.384 17842 12679 1 17 . 1 1 78 78 SER H H 79 8.210 8.210 7.700 0.510 17842 12680 1 17 . 1 1 79 79 TYR N N 80 122.901 122.901 126.368 -3.467 17842 12681 1 17 . 1 1 79 79 TYR C C 80 173.757 173.757 174.694 -0.937 17842 12682 1 17 . 1 1 79 79 TYR CA C 80 56.243 56.243 58.161 -1.918 17842 12683 1 17 . 1 1 79 79 TYR CB C 80 42.570 42.570 39.404 3.166 17842 12684 1 17 . 1 1 79 79 TYR H H 80 8.092 8.092 9.096 -1.004 17842 12685 1 17 . 1 1 80 80 ASP N N 81 122.808 122.808 121.955 0.853 17842 12686 1 17 . 1 1 80 80 ASP C C 81 173.607 173.607 173.831 -0.224 17842 12687 1 17 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.308 0.357 17842 12688 1 17 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.351 0.436 17842 12689 1 17 . 1 1 80 80 ASP H H 81 8.268 8.268 8.633 -0.365 17842 12690 1 17 . 1 1 81 81 ALA N N 82 121.201 121.201 120.415 0.786 17842 12691 1 17 . 1 1 81 81 ALA C C 82 177.094 177.094 176.188 0.906 17842 12692 1 17 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.877 -1.132 17842 12693 1 17 . 1 1 81 81 ALA CB C 82 21.511 21.511 21.430 0.081 17842 12694 1 17 . 1 1 81 81 ALA H H 82 8.931 8.931 8.546 0.385 17842 12695 1 17 . 1 1 82 82 PHE N N 83 116.305 116.305 121.170 -4.865 17842 12696 1 17 . 1 1 82 82 PHE C C 83 176.299 176.299 174.091 2.208 17842 12697 1 17 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.948 -3.284 17842 12698 1 17 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.361 0.760 17842 12699 1 17 . 1 1 82 82 PHE H H 83 7.404 7.404 8.323 -0.919 17842 12700 1 17 . 1 1 83 83 LEU N N 84 122.208 122.208 121.308 0.900 17842 12701 1 17 . 1 1 83 83 LEU C C 84 173.599 173.599 174.532 -0.933 17842 12702 1 17 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.267 -0.393 17842 12703 1 17 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.796 -1.430 17842 12704 1 17 . 1 1 83 83 LEU H H 84 9.049 9.049 8.298 0.751 17842 12705 1 17 . 1 1 84 84 PRO C C 85 175.877 175.877 175.826 0.051 17842 12706 1 17 . 1 1 84 84 PRO CA C 85 63.041 63.041 62.934 0.107 17842 12707 1 17 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.422 0.064 17842 12708 1 17 . 1 1 85 85 ILE N N 86 119.588 119.588 126.992 -7.404 17842 12709 1 17 . 1 1 85 85 ILE C C 86 175.749 175.749 175.850 -0.101 17842 12710 1 17 . 1 1 85 85 ILE CA C 86 59.267 59.267 59.820 -0.553 17842 12711 1 17 . 1 1 85 85 ILE CB C 86 39.835 39.835 37.307 2.528 17842 12712 1 17 . 1 1 85 85 ILE H H 86 8.205 8.205 7.747 0.458 17842 12713 1 17 . 1 1 86 86 GLY N N 87 112.396 112.396 117.494 -5.098 17842 12714 1 17 . 1 1 86 86 GLY C C 87 174.218 174.218 174.266 -0.048 17842 12715 1 17 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.436 0.256 17842 12716 1 17 . 1 1 86 86 GLY H H 87 8.364 8.364 8.884 -0.520 17842 12717 1 17 . 1 1 87 87 ASP N N 88 122.109 122.109 120.126 1.983 17842 12718 1 17 . 1 1 87 87 ASP C C 88 175.839 175.839 175.360 0.479 17842 12719 1 17 . 1 1 87 87 ASP CA C 88 53.535 53.535 54.642 -1.107 17842 12720 1 17 . 1 1 87 87 ASP CB C 88 41.132 41.132 42.031 -0.899 17842 12721 1 17 . 1 1 87 87 ASP H H 88 8.249 8.249 8.344 -0.095 17842 12722 1 17 . 1 1 88 88 ASN N N 89 116.308 116.308 117.063 -0.755 17842 12723 1 17 . 1 1 88 88 ASN C C 89 175.100 175.100 174.367 0.733 17842 12724 1 17 . 1 1 88 88 ASN CA C 89 53.922 53.922 53.755 0.168 17842 12725 1 17 . 1 1 88 88 ASN CB C 89 38.183 38.183 38.855 -0.672 17842 12726 1 17 . 1 1 88 88 ASN H H 89 8.449 8.449 8.568 -0.119 17842 12727 1 17 . 1 1 89 89 ASN N N 90 115.987 115.987 116.848 -0.861 17842 12728 1 17 . 1 1 89 89 ASN C C 90 173.909 173.909 174.482 -0.573 17842 12729 1 17 . 1 1 89 89 ASN CA C 90 54.386 54.386 53.610 0.776 17842 12730 1 17 . 1 1 89 89 ASN CB C 90 37.657 37.657 40.781 -3.124 17842 12731 1 17 . 1 1 89 89 ASN H H 90 8.477 8.477 8.712 -0.235 17842 12732 1 17 . 1 1 90 90 THR N N 91 116.991 116.991 110.571 6.420 17842 12733 1 17 . 1 1 90 90 THR C C 91 173.763 173.763 172.750 1.013 17842 12734 1 17 . 1 1 90 90 THR CA C 91 62.170 62.170 61.084 1.086 17842 12735 1 17 . 1 1 90 90 THR CB C 91 68.706 68.706 71.999 -3.293 17842 12736 1 17 . 1 1 90 90 THR H H 91 7.600 7.600 7.662 -0.062 17842 12737 1 17 . 1 1 91 91 LYS N N 92 124.349 124.349 123.594 0.755 17842 12738 1 17 . 1 1 91 91 LYS C C 92 175.815 175.815 175.969 -0.154 17842 12739 1 17 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.261 -0.855 17842 12740 1 17 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.674 0.824 17842 12741 1 17 . 1 1 91 91 LYS H H 92 9.249 9.249 8.784 0.465 17842 12742 1 17 . 1 1 92 92 LEU N N 93 123.462 123.462 128.614 -5.152 17842 12743 1 17 . 1 1 92 92 LEU C C 93 176.260 176.260 175.826 0.434 17842 12744 1 17 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.111 -1.282 17842 12745 1 17 . 1 1 92 92 LEU CB C 93 43.614 43.614 40.712 2.902 17842 12746 1 17 . 1 1 92 92 LEU H H 93 8.650 8.650 8.199 0.451 17842 12747 1 17 . 1 1 93 93 PHE N N 94 119.497 119.497 122.469 -2.972 17842 12748 1 17 . 1 1 93 93 PHE C C 94 173.154 173.154 174.816 -1.662 17842 12749 1 17 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.665 0.471 17842 12750 1 17 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.258 1.835 17842 12751 1 17 . 1 1 93 93 PHE H H 94 8.485 8.485 7.578 0.907 17842 12752 1 17 . 1 1 94 94 GLY N N 95 105.945 105.945 107.096 -1.151 17842 12753 1 17 . 1 1 94 94 GLY C C 95 171.815 171.815 172.566 -0.751 17842 12754 1 17 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.359 -0.977 17842 12755 1 17 . 1 1 94 94 GLY H H 95 8.256 8.256 8.297 -0.041 17842 12756 1 17 . 1 1 95 95 GLY N N 96 110.432 110.432 109.342 1.090 17842 12757 1 17 . 1 1 95 95 GLY C C 96 171.826 171.826 171.992 -0.166 17842 12758 1 17 . 1 1 95 95 GLY CA C 96 46.886 46.886 46.194 0.692 17842 12759 1 17 . 1 1 95 95 GLY H H 96 9.005 9.005 8.544 0.461 17842 12760 1 17 . 1 1 96 96 ALA N N 97 117.509 117.509 121.036 -3.527 17842 12761 1 17 . 1 1 96 96 ALA C C 97 176.928 176.928 175.242 1.686 17842 12762 1 17 . 1 1 96 96 ALA CA C 97 49.401 49.401 49.986 -0.585 17842 12763 1 17 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.641 0.784 17842 12764 1 17 . 1 1 96 96 ALA H H 97 8.039 8.039 8.599 -0.560 17842 12765 1 17 . 1 1 97 97 THR N N 98 118.891 118.891 112.705 6.186 17842 12766 1 17 . 1 1 97 97 THR C C 98 172.492 172.492 172.791 -0.299 17842 12767 1 17 . 1 1 97 97 THR CA C 98 61.730 61.730 61.568 0.162 17842 12768 1 17 . 1 1 97 97 THR CB C 98 73.046 73.046 70.999 2.047 17842 12769 1 17 . 1 1 97 97 THR H H 98 8.379 8.379 8.072 0.307 17842 12770 1 17 . 1 1 98 98 LEU N N 99 124.958 124.958 121.898 3.060 17842 12771 1 17 . 1 1 98 98 LEU C C 99 175.753 175.753 174.722 1.031 17842 12772 1 17 . 1 1 98 98 LEU CA C 99 53.474 53.474 54.288 -0.814 17842 12773 1 17 . 1 1 98 98 LEU CB C 99 47.243 47.243 45.171 2.072 17842 12774 1 17 . 1 1 98 98 LEU H H 99 8.880 8.880 8.292 0.588 17842 12775 1 17 . 1 1 99 99 GLY N N 100 106.645 106.645 110.430 -3.785 17842 12776 1 17 . 1 1 99 99 GLY C C 100 169.886 169.886 171.898 -2.012 17842 12777 1 17 . 1 1 99 99 GLY CA C 100 46.631 46.631 45.139 1.492 17842 12778 1 17 . 1 1 99 99 GLY H H 100 8.635 8.635 8.545 0.090 17842 12779 1 17 . 1 1 100 100 LEU N N 101 121.823 121.823 121.056 0.767 17842 12780 1 17 . 1 1 100 100 LEU C C 101 174.876 174.876 174.388 0.488 17842 12781 1 17 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.699 -1.628 17842 12782 1 17 . 1 1 100 100 LEU CB C 101 46.646 46.646 46.239 0.407 17842 12783 1 17 . 1 1 100 100 LEU H H 101 9.088 9.088 8.219 0.869 17842 12784 1 17 . 1 1 101 101 VAL N N 102 118.857 118.857 125.670 -6.813 17842 12785 1 17 . 1 1 101 101 VAL C C 102 174.015 174.015 174.374 -0.359 17842 12786 1 17 . 1 1 101 101 VAL CA C 102 59.666 59.666 61.957 -2.291 17842 12787 1 17 . 1 1 101 101 VAL CB C 102 35.406 35.406 32.869 2.537 17842 12788 1 17 . 1 1 101 101 VAL H H 102 8.291 8.291 8.132 0.159 17842 12789 1 17 . 1 1 102 102 LYS N N 103 126.552 126.552 128.945 -2.393 17842 12790 1 17 . 1 1 102 102 LYS C C 103 174.712 174.712 173.919 0.793 17842 12791 1 17 . 1 1 102 102 LYS CA C 103 54.433 54.433 54.606 -0.173 17842 12792 1 17 . 1 1 102 102 LYS CB C 103 35.733 35.733 35.733 -0.000 17842 12793 1 17 . 1 1 102 102 LYS H H 103 9.141 9.141 8.370 0.771 17842 12794 1 17 . 1 1 103 103 LEU N N 104 129.605 129.605 124.511 5.094 17842 12795 1 17 . 1 1 103 103 LEU C C 104 175.344 175.344 175.515 -0.171 17842 12796 1 17 . 1 1 103 103 LEU CA C 104 53.492 53.492 53.109 0.383 17842 12797 1 17 . 1 1 103 103 LEU CB C 104 45.004 45.004 45.548 -0.544 17842 12798 1 17 . 1 1 103 103 LEU H H 104 8.921 8.921 8.545 0.376 17842 12799 1 17 . 1 1 104 104 GLU C C 105 174.715 174.715 175.249 -0.534 17842 12800 1 17 . 1 1 104 104 GLU CA C 105 54.626 54.626 54.948 -0.322 17842 12801 1 17 . 1 1 104 104 GLU CB C 105 33.055 33.055 31.634 1.421 17842 12802 1 17 . 1 1 105 105 GLN N N 106 121.991 121.991 123.388 -1.397 17842 12803 1 17 . 1 1 105 105 GLN C C 106 175.002 175.002 174.339 0.663 17842 12804 1 17 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.572 -0.893 17842 12805 1 17 . 1 1 105 105 GLN CB C 106 30.252 30.252 29.913 0.339 17842 12806 1 17 . 1 1 105 105 GLN H H 106 8.532 8.532 8.361 0.171 17842 12807 1 17 . 1 1 106 106 ASP N N 107 123.884 123.884 122.713 1.171 17842 12808 1 17 . 1 1 106 106 ASP C C 107 176.352 176.352 175.933 0.419 17842 12809 1 17 . 1 1 106 106 ASP CA C 107 54.108 54.108 53.906 0.202 17842 12810 1 17 . 1 1 106 106 ASP CB C 107 41.448 41.448 41.756 -0.308 17842 12811 1 17 . 1 1 106 106 ASP H H 107 8.414 8.414 8.505 -0.091 17842 12812 1 17 . 1 1 107 107 GLY N N 108 110.294 110.294 111.221 -0.927 17842 12813 1 17 . 1 1 107 107 GLY C C 108 174.111 174.111 174.169 -0.058 17842 12814 1 17 . 1 1 107 107 GLY CA C 108 44.992 44.992 44.620 0.372 17842 12815 1 17 . 1 1 107 107 GLY H H 108 8.226 8.226 8.230 -0.004 17842 12816 1 17 . 1 1 108 108 LYS N N 109 121.045 121.045 121.791 -0.746 17842 12817 1 17 . 1 1 108 108 LYS C C 109 176.988 176.988 177.089 -0.101 17842 12818 1 17 . 1 1 108 108 LYS CA C 109 56.243 56.243 55.811 0.432 17842 12819 1 17 . 1 1 108 108 LYS CB C 109 31.957 31.957 32.543 -0.586 17842 12820 1 17 . 1 1 108 108 LYS H H 109 8.130 8.130 8.421 -0.291 17842 12821 1 17 . 1 1 109 109 GLY N N 110 109.975 109.975 108.786 1.189 17842 12822 1 17 . 1 1 109 109 GLY C C 110 173.856 173.856 174.134 -0.278 17842 12823 1 17 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.562 0.408 17842 12824 1 17 . 1 1 109 109 GLY H H 110 8.313 8.313 8.227 0.086 17842 12825 1 17 . 1 1 110 110 PHE N N 111 119.873 119.873 121.271 -1.398 17842 12826 1 17 . 1 1 110 110 PHE C C 111 175.195 175.195 175.591 -0.396 17842 12827 1 17 . 1 1 110 110 PHE CA C 111 57.334 57.334 57.722 -0.388 17842 12828 1 17 . 1 1 110 110 PHE CB C 111 39.311 39.311 40.176 -0.865 17842 12829 1 17 . 1 1 110 110 PHE H H 111 7.848 7.848 8.253 -0.405 17842 12830 1 17 . 1 1 111 111 LYS N N 112 122.900 122.900 125.327 -2.427 17842 12831 1 17 . 1 1 111 111 LYS C C 112 175.898 175.898 176.466 -0.568 17842 12832 1 17 . 1 1 111 111 LYS CA C 112 55.928 55.928 55.927 0.001 17842 12833 1 17 . 1 1 111 111 LYS CB C 112 32.741 32.741 33.240 -0.499 17842 12834 1 17 . 1 1 111 111 LYS H H 112 8.073 8.073 8.816 -0.743 17842 12835 1 17 . 1 1 112 112 ARG N N 113 123.302 123.302 121.345 1.957 17842 12836 1 17 . 1 1 112 112 ARG C C 113 175.762 175.762 174.907 0.855 17842 12837 1 17 . 1 1 112 112 ARG CA C 113 55.877 55.877 55.321 0.556 17842 12838 1 17 . 1 1 112 112 ARG CB C 113 30.678 30.678 32.834 -2.156 17842 12839 1 17 . 1 1 112 112 ARG H H 113 8.277 8.277 8.523 -0.246 17842 12840 1 17 . 1 1 113 113 ASP N N 114 122.193 122.193 121.904 0.289 17842 12841 1 17 . 1 1 113 113 ASP C C 114 175.875 175.875 175.236 0.639 17842 12842 1 17 . 1 1 113 113 ASP CA C 114 54.219 54.219 54.278 -0.059 17842 12843 1 17 . 1 1 113 113 ASP CB C 114 41.279 41.279 40.953 0.326 17842 12844 1 17 . 1 1 113 113 ASP H H 114 8.300 8.300 8.638 -0.338 17842 12845 1 17 . 1 1 114 114 SER N N 115 114.844 114.844 118.728 -3.884 17842 12846 1 17 . 1 1 114 114 SER C C 115 173.567 173.567 173.294 0.273 17842 12847 1 17 . 1 1 114 114 SER CA C 115 57.538 57.538 58.145 -0.607 17842 12848 1 17 . 1 1 114 114 SER CB C 115 64.306 64.306 64.759 -0.453 17842 12849 1 17 . 1 1 114 114 SER H H 115 8.071 8.071 8.201 -0.130 17842 12850 1 17 . 1 1 115 115 ASP N N 116 122.371 122.371 123.030 -0.659 17842 12851 1 17 . 1 1 115 115 ASP C C 116 175.096 175.096 174.645 0.451 17842 12852 1 17 . 1 1 115 115 ASP CA C 116 53.960 53.960 54.715 -0.755 17842 12853 1 17 . 1 1 115 115 ASP CB C 116 42.394 42.394 42.882 -0.487 17842 12854 1 17 . 1 1 115 115 ASP H H 116 8.400 8.400 8.406 -0.006 17842 12855 1 17 . 1 1 116 116 VAL N N 117 120.462 120.462 121.202 -0.740 17842 12856 1 17 . 1 1 116 116 VAL C C 117 175.349 175.349 173.993 1.356 17842 12857 1 17 . 1 1 116 116 VAL CA C 117 60.785 60.785 62.040 -1.255 17842 12858 1 17 . 1 1 116 116 VAL CB C 117 33.507 33.507 33.852 -0.345 17842 12859 1 17 . 1 1 116 116 VAL H H 117 8.014 8.014 7.742 0.272 17842 12860 1 17 . 1 1 117 117 GLY N N 118 112.807 112.807 114.009 -1.202 17842 12861 1 17 . 1 1 117 117 GLY C C 118 172.079 172.079 172.324 -0.245 17842 12862 1 17 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.103 -0.848 17842 12863 1 17 . 1 1 117 117 GLY H H 118 8.871 8.871 7.868 1.003 17842 12864 1 17 . 1 1 118 118 TYR N N 119 117.704 117.704 121.087 -3.383 17842 12865 1 17 . 1 1 118 118 TYR C C 119 175.024 175.024 174.936 0.088 17842 12866 1 17 . 1 1 118 118 TYR CA C 119 55.968 55.968 58.211 -2.243 17842 12867 1 17 . 1 1 118 118 TYR CB C 119 41.089 41.089 38.852 2.237 17842 12868 1 17 . 1 1 118 118 TYR H H 119 8.406 8.406 8.580 -0.174 17842 12869 1 17 . 1 1 119 119 ALA N N 120 122.050 122.050 128.766 -6.716 17842 12870 1 17 . 1 1 119 119 ALA C C 120 175.218 175.218 175.726 -0.508 17842 12871 1 17 . 1 1 119 119 ALA CA C 120 49.661 49.661 50.009 -0.348 17842 12872 1 17 . 1 1 119 119 ALA CB C 120 23.187 23.187 21.272 1.915 17842 12873 1 17 . 1 1 119 119 ALA H H 120 8.605 8.605 7.727 0.878 17842 12874 1 17 . 1 1 120 120 ALA N N 121 119.839 119.839 125.686 -5.847 17842 12875 1 17 . 1 1 120 120 ALA C C 121 175.881 175.881 175.859 0.022 17842 12876 1 17 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.072 -1.732 17842 12877 1 17 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.900 0.565 17842 12878 1 17 . 1 1 120 120 ALA H H 121 8.476 8.476 8.026 0.450 17842 12879 1 17 . 1 1 121 121 GLY N N 122 107.807 107.807 108.350 -0.543 17842 12880 1 17 . 1 1 121 121 GLY C C 122 171.191 171.191 171.942 -0.751 17842 12881 1 17 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.777 0.288 17842 12882 1 17 . 1 1 121 121 GLY H H 122 8.931 8.931 8.703 0.228 17842 12883 1 17 . 1 1 122 122 LEU N N 123 118.400 118.400 115.692 2.708 17842 12884 1 17 . 1 1 122 122 LEU C C 123 174.684 174.684 174.280 0.404 17842 12885 1 17 . 1 1 122 122 LEU CA C 123 53.227 53.227 53.937 -0.710 17842 12886 1 17 . 1 1 122 122 LEU CB C 123 48.385 48.385 45.721 2.664 17842 12887 1 17 . 1 1 122 122 LEU H H 123 8.351 8.351 8.142 0.209 17842 12888 1 17 . 1 1 123 123 GLN N N 124 113.455 113.455 115.712 -2.257 17842 12889 1 17 . 1 1 123 123 GLN C C 124 173.895 173.895 174.082 -0.187 17842 12890 1 17 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.857 -0.853 17842 12891 1 17 . 1 1 123 123 GLN CB C 124 28.135 28.135 32.643 -4.508 17842 12892 1 17 . 1 1 123 123 GLN H H 124 8.159 8.159 8.401 -0.242 17842 12893 1 17 . 1 1 124 124 ALA N N 125 118.711 118.711 120.131 -1.420 17842 12894 1 17 . 1 1 124 124 ALA C C 125 174.962 174.962 174.939 0.023 17842 12895 1 17 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.584 -1.788 17842 12896 1 17 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.462 0.544 17842 12897 1 17 . 1 1 124 124 ALA H H 125 8.638 8.638 8.151 0.487 17842 12898 1 17 . 1 1 125 125 GLY N N 126 103.783 103.783 107.279 -3.496 17842 12899 1 17 . 1 1 125 125 GLY C C 126 170.390 170.390 171.317 -0.927 17842 12900 1 17 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.301 1.109 17842 12901 1 17 . 1 1 125 125 GLY H H 126 7.103 7.103 7.507 -0.404 17842 12902 1 17 . 1 1 126 126 ILE N N 127 118.306 118.306 115.489 2.817 17842 12903 1 17 . 1 1 126 126 ILE C C 127 172.353 172.353 173.909 -1.556 17842 12904 1 17 . 1 1 126 126 ILE CA C 127 58.593 58.593 59.977 -1.384 17842 12905 1 17 . 1 1 126 126 ILE CB C 127 42.164 42.164 40.622 1.542 17842 12906 1 17 . 1 1 126 126 ILE H H 127 8.564 8.564 8.723 -0.159 17842 12907 1 17 . 1 1 127 127 LEU N N 128 129.339 129.339 128.480 0.859 17842 12908 1 17 . 1 1 127 127 LEU C C 128 173.613 173.613 176.065 -2.452 17842 12909 1 17 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.017 -0.489 17842 12910 1 17 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.735 3.069 17842 12911 1 17 . 1 1 127 127 LEU H H 128 9.236 9.236 8.453 0.783 17842 12912 1 17 . 1 1 128 128 GLN N N 129 126.801 126.801 125.845 0.956 17842 12913 1 17 . 1 1 128 128 GLN C C 129 175.093 175.093 174.895 0.198 17842 12914 1 17 . 1 1 128 128 GLN CA C 129 53.194 53.194 55.045 -1.851 17842 12915 1 17 . 1 1 128 128 GLN CB C 129 30.947 30.947 29.967 0.980 17842 12916 1 17 . 1 1 128 128 GLN H H 129 9.352 9.352 8.895 0.457 17842 12917 1 17 . 1 1 129 129 GLU N N 130 126.822 126.822 124.065 2.757 17842 12918 1 17 . 1 1 129 129 GLU C C 130 176.651 176.651 175.928 0.723 17842 12919 1 17 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.274 0.907 17842 12920 1 17 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.744 -3.983 17842 12921 1 17 . 1 1 129 129 GLU H H 130 8.518 8.518 8.879 -0.361 17842 12922 1 17 . 1 1 130 130 LEU N N 131 126.031 126.031 125.224 0.807 17842 12923 1 17 . 1 1 130 130 LEU C C 131 176.044 176.044 177.673 -1.629 17842 12924 1 17 . 1 1 130 130 LEU CA C 131 55.175 55.175 56.409 -1.234 17842 12925 1 17 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.218 0.637 17842 12926 1 17 . 1 1 130 130 LEU H H 131 8.708 8.708 8.222 0.486 17842 12927 1 17 . 1 1 131 131 SER N N 132 113.049 113.049 111.101 1.948 17842 12928 1 17 . 1 1 131 131 SER C C 132 174.092 174.092 173.294 0.798 17842 12929 1 17 . 1 1 131 131 SER CA C 132 55.993 55.993 57.895 -1.902 17842 12930 1 17 . 1 1 131 131 SER CB C 132 64.945 64.945 64.239 0.706 17842 12931 1 17 . 1 1 131 131 SER H H 132 8.282 8.282 7.707 0.575 17842 12932 1 17 . 1 1 132 132 LYS C C 133 176.346 176.346 175.474 0.872 17842 12933 1 17 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.453 2.044 17842 12934 1 17 . 1 1 132 132 LYS CB C 133 31.009 31.009 31.221 -0.212 17842 12935 1 17 . 1 1 133 133 ASN N N 134 110.795 110.795 117.331 -6.536 17842 12936 1 17 . 1 1 133 133 ASN C C 134 173.897 173.897 173.755 0.142 17842 12937 1 17 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.541 0.037 17842 12938 1 17 . 1 1 133 133 ASN CB C 134 40.830 40.830 41.237 -0.407 17842 12939 1 17 . 1 1 133 133 ASN H H 134 7.761 7.761 8.167 -0.406 17842 12940 1 17 . 1 1 134 134 ALA N N 135 122.181 122.181 120.237 1.944 17842 12941 1 17 . 1 1 134 134 ALA C C 135 176.250 176.250 174.842 1.408 17842 12942 1 17 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.197 -0.040 17842 12943 1 17 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.639 0.494 17842 12944 1 17 . 1 1 134 134 ALA H H 135 7.562 7.562 7.708 -0.146 17842 12945 1 17 . 1 1 135 135 SER N N 136 114.617 114.617 114.049 0.568 17842 12946 1 17 . 1 1 135 135 SER C C 136 172.507 172.507 172.751 -0.244 17842 12947 1 17 . 1 1 135 135 SER CA C 136 56.164 56.164 56.401 -0.237 17842 12948 1 17 . 1 1 135 135 SER CB C 136 66.255 66.255 65.637 0.618 17842 12949 1 17 . 1 1 135 135 SER H H 136 8.717 8.717 8.097 0.620 17842 12950 1 17 . 1 1 136 136 ILE N N 137 114.495 114.495 115.349 -0.854 17842 12951 1 17 . 1 1 136 136 ILE C C 137 173.136 173.136 173.257 -0.121 17842 12952 1 17 . 1 1 136 136 ILE CA C 137 58.420 58.420 59.818 -1.398 17842 12953 1 17 . 1 1 136 136 ILE CB C 137 42.700 42.700 42.181 0.519 17842 12954 1 17 . 1 1 136 136 ILE H H 137 8.592 8.592 8.795 -0.203 17842 12955 1 17 . 1 1 137 137 GLU N N 138 122.016 122.016 123.489 -1.473 17842 12956 1 17 . 1 1 137 137 GLU C C 138 173.792 173.792 175.152 -1.360 17842 12957 1 17 . 1 1 137 137 GLU CA C 138 53.537 53.537 54.607 -1.070 17842 12958 1 17 . 1 1 137 137 GLU CB C 138 35.118 35.118 33.554 1.564 17842 12959 1 17 . 1 1 137 137 GLU H H 138 8.902 8.902 8.224 0.678 17842 12960 1 17 . 1 1 138 138 GLY N N 139 107.847 107.847 111.447 -3.600 17842 12961 1 17 . 1 1 138 138 GLY C C 139 171.817 171.817 172.643 -0.826 17842 12962 1 17 . 1 1 138 138 GLY CA C 139 44.070 44.070 44.886 -0.816 17842 12963 1 17 . 1 1 138 138 GLY H H 139 8.485 8.485 8.250 0.235 17842 12964 1 17 . 1 1 139 139 GLY N N 140 108.290 108.290 109.093 -0.803 17842 12965 1 17 . 1 1 139 139 GLY C C 140 169.172 169.172 172.177 -3.005 17842 12966 1 17 . 1 1 139 139 GLY CA C 140 45.714 45.714 46.207 -0.493 17842 12967 1 17 . 1 1 139 139 GLY H H 140 7.841 7.841 8.745 -0.904 17842 12968 1 17 . 1 1 140 140 TYR N N 141 119.674 119.674 119.468 0.206 17842 12969 1 17 . 1 1 140 140 TYR C C 141 173.643 173.643 174.574 -0.931 17842 12970 1 17 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.737 -1.558 17842 12971 1 17 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.340 -0.196 17842 12972 1 17 . 1 1 140 140 TYR H H 141 8.726 8.726 8.861 -0.135 17842 12973 1 17 . 1 1 141 141 ARG N N 142 125.021 125.021 120.286 4.735 17842 12974 1 17 . 1 1 141 141 ARG C C 142 173.533 173.533 173.807 -0.274 17842 12975 1 17 . 1 1 141 141 ARG CA C 142 53.813 53.813 54.745 -0.932 17842 12976 1 17 . 1 1 141 141 ARG CB C 142 33.239 33.239 33.242 -0.003 17842 12977 1 17 . 1 1 141 141 ARG H H 142 8.502 8.502 7.973 0.529 17842 12978 1 17 . 1 1 142 142 TYR N N 143 128.805 128.805 123.984 4.821 17842 12979 1 17 . 1 1 142 142 TYR C C 143 173.475 173.475 174.664 -1.189 17842 12980 1 17 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.647 -0.219 17842 12981 1 17 . 1 1 142 142 TYR CB C 143 41.642 41.642 41.218 0.424 17842 12982 1 17 . 1 1 142 142 TYR H H 143 8.978 8.978 9.128 -0.150 17842 12983 1 17 . 1 1 143 143 LEU N N 144 125.513 125.513 121.402 4.111 17842 12984 1 17 . 1 1 143 143 LEU C C 144 175.370 175.370 175.225 0.145 17842 12985 1 17 . 1 1 143 143 LEU CA C 144 52.893 52.893 53.790 -0.897 17842 12986 1 17 . 1 1 143 143 LEU CB C 144 45.924 45.924 46.890 -0.966 17842 12987 1 17 . 1 1 143 143 LEU H H 144 8.117 8.117 8.801 -0.684 17842 12988 1 17 . 1 1 144 144 ARG N N 145 122.193 122.193 120.320 1.873 17842 12989 1 17 . 1 1 144 144 ARG C C 145 175.452 175.452 175.159 0.293 17842 12990 1 17 . 1 1 144 144 ARG CA C 145 54.077 54.077 54.709 -0.632 17842 12991 1 17 . 1 1 144 144 ARG CB C 145 31.377 31.377 33.912 -2.535 17842 12992 1 17 . 1 1 144 144 ARG H H 145 8.810 8.810 8.614 0.196 17842 12993 1 17 . 1 1 145 145 THR C C 146 172.708 172.708 173.552 -0.844 17842 12994 1 17 . 1 1 145 145 THR CA C 146 59.117 59.117 60.231 -1.114 17842 12995 1 17 . 1 1 145 145 THR CB C 146 70.345 70.345 70.275 0.070 17842 12996 1 17 . 1 1 146 146 ASN N N 147 120.236 120.236 120.478 -0.242 17842 12997 1 17 . 1 1 146 146 ASN C C 147 175.341 175.341 174.436 0.905 17842 12998 1 17 . 1 1 146 146 ASN CA C 147 51.880 51.880 54.343 -2.463 17842 12999 1 17 . 1 1 146 146 ASN CB C 147 38.462 38.462 38.930 -0.468 17842 13000 1 17 . 1 1 146 146 ASN H H 147 8.259 8.259 8.590 -0.331 17842 13001 1 17 . 1 1 147 147 ALA N N 148 124.724 124.724 128.317 -3.593 17842 13002 1 17 . 1 1 147 147 ALA C C 148 176.378 176.378 176.403 -0.025 17842 13003 1 17 . 1 1 147 147 ALA CA C 148 52.179 52.179 51.377 0.803 17842 13004 1 17 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.552 -0.926 17842 13005 1 17 . 1 1 147 147 ALA H H 148 8.256 8.256 8.256 -0.000 17842 13006 1 17 . 1 1 148 148 SER N N 149 115.670 115.670 117.949 -2.279 17842 13007 1 17 . 1 1 148 148 SER C C 149 174.123 174.123 172.999 1.124 17842 13008 1 17 . 1 1 148 148 SER CA C 149 57.281 57.281 58.605 -1.324 17842 13009 1 17 . 1 1 148 148 SER CB C 149 64.685 64.685 63.590 1.095 17842 13010 1 17 . 1 1 148 148 SER H H 149 8.372 8.372 8.413 -0.041 17842 13011 1 17 . 1 1 149 149 THR N N 150 115.292 115.292 113.145 2.147 17842 13012 1 17 . 1 1 149 149 THR C C 150 173.858 173.858 174.164 -0.306 17842 13013 1 17 . 1 1 149 149 THR CA C 150 61.189 61.189 61.624 -0.435 17842 13014 1 17 . 1 1 149 149 THR CB C 150 69.105 69.105 69.052 0.053 17842 13015 1 17 . 1 1 149 149 THR H H 150 8.228 8.228 8.121 0.107 17842 13016 1 17 . 1 1 150 150 GLU N N 151 123.244 123.244 120.518 2.726 17842 13017 1 17 . 1 1 150 150 GLU C C 151 176.121 176.121 175.382 0.739 17842 13018 1 17 . 1 1 150 150 GLU CA C 151 56.002 56.002 57.491 -1.489 17842 13019 1 17 . 1 1 150 150 GLU CB C 151 29.931 29.931 29.600 0.331 17842 13020 1 17 . 1 1 150 150 GLU H H 151 8.186 8.186 8.526 -0.340 17842 13021 1 17 . 1 1 151 151 MET N N 152 121.600 121.600 121.383 0.217 17842 13022 1 17 . 1 1 151 151 MET C C 152 175.810 175.810 176.146 -0.336 17842 13023 1 17 . 1 1 151 151 MET CA C 152 55.254 55.254 55.088 0.166 17842 13024 1 17 . 1 1 151 151 MET CB C 152 33.247 33.247 33.972 -0.725 17842 13025 1 17 . 1 1 151 151 MET H H 152 8.248 8.248 8.273 -0.025 17842 13026 1 17 . 1 1 152 152 THR N N 153 117.486 117.486 112.038 5.448 17842 13027 1 17 . 1 1 152 152 THR C C 153 172.907 172.907 173.490 -0.583 17842 13028 1 17 . 1 1 152 152 THR CA C 153 59.365 59.365 58.693 0.672 17842 13029 1 17 . 1 1 152 152 THR CB C 153 69.366 69.366 69.480 -0.114 17842 13030 1 17 . 1 1 152 152 THR H H 153 8.113 8.113 7.985 0.128 17842 13031 1 17 . 1 1 155 155 GLY C C 156 174.620 174.620 173.222 1.398 17842 13032 1 17 . 1 1 155 155 GLY CA C 156 45.280 45.280 44.486 0.794 17842 13033 1 17 . 1 1 156 156 GLY N N 157 109.059 109.059 107.503 1.556 17842 13034 1 17 . 1 1 156 156 GLY C C 157 173.801 173.801 172.259 1.542 17842 13035 1 17 . 1 1 156 156 GLY CA C 157 44.929 44.929 45.394 -0.465 17842 13036 1 17 . 1 1 156 156 GLY H H 157 8.175 8.175 8.359 -0.184 17842 13037 1 17 . 1 1 157 157 ASN N N 158 118.630 118.630 117.709 0.921 17842 13038 1 17 . 1 1 157 157 ASN C C 158 175.025 175.025 174.467 0.558 17842 13039 1 17 . 1 1 157 157 ASN CA C 158 52.791 52.791 52.541 0.250 17842 13040 1 17 . 1 1 157 157 ASN CB C 158 38.532 38.532 40.439 -1.907 17842 13041 1 17 . 1 1 157 157 ASN H H 158 8.114 8.114 8.289 -0.175 17842 13042 1 17 . 1 1 158 158 LYS N N 159 121.755 121.755 122.188 -0.433 17842 13043 1 17 . 1 1 158 158 LYS C C 159 176.361 176.361 175.893 0.468 17842 13044 1 17 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.536 -0.064 17842 13045 1 17 . 1 1 158 158 LYS CB C 159 32.403 32.403 32.050 0.353 17842 13046 1 17 . 1 1 158 158 LYS H H 159 8.169 8.169 8.303 -0.134 17842 13047 1 17 . 1 1 159 159 LEU N N 160 123.084 123.084 124.263 -1.179 17842 13048 1 17 . 1 1 159 159 LEU C C 160 177.408 177.408 177.640 -0.232 17842 13049 1 17 . 1 1 159 159 LEU CA C 160 55.162 55.162 55.898 -0.736 17842 13050 1 17 . 1 1 159 159 LEU CB C 160 42.690 42.690 42.918 -0.228 17842 13051 1 17 . 1 1 159 159 LEU H H 160 8.173 8.173 8.320 -0.147 17842 13052 1 17 . 1 1 160 160 GLY N N 161 109.180 109.180 110.550 -1.370 17842 13053 1 17 . 1 1 160 160 GLY C C 161 173.574 173.574 173.745 -0.171 17842 13054 1 17 . 1 1 160 160 GLY CA C 161 44.877 44.877 44.429 0.448 17842 13055 1 17 . 1 1 160 160 GLY H H 161 8.117 8.117 8.536 -0.419 17842 13056 1 17 . 1 1 161 161 SER N N 162 115.719 115.719 116.458 -0.739 17842 13057 1 17 . 1 1 161 161 SER C C 162 173.715 173.715 173.754 -0.039 17842 13058 1 17 . 1 1 161 161 SER CA C 162 57.965 57.965 57.928 0.037 17842 13059 1 17 . 1 1 161 161 SER CB C 162 63.856 63.856 64.263 -0.406 17842 13060 1 17 . 1 1 161 161 SER H H 162 8.064 8.064 8.132 -0.068 17842 13061 1 17 . 1 1 162 162 LEU N N 163 123.433 123.433 122.541 0.892 17842 13062 1 17 . 1 1 162 162 LEU C C 163 175.609 175.609 175.724 -0.115 17842 13063 1 17 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.713 -1.328 17842 13064 1 17 . 1 1 162 162 LEU CB C 163 43.046 43.046 42.910 0.136 17842 13065 1 17 . 1 1 162 162 LEU H H 163 8.282 8.282 8.358 -0.076 17842 13066 1 17 . 1 1 163 163 ASP N N 164 122.223 122.223 121.424 0.799 17842 13067 1 17 . 1 1 163 163 ASP C C 164 175.122 175.122 175.923 -0.801 17842 13068 1 17 . 1 1 163 163 ASP CA C 164 53.400 53.400 53.648 -0.248 17842 13069 1 17 . 1 1 163 163 ASP CB C 164 41.200 41.200 40.968 0.232 17842 13070 1 17 . 1 1 163 163 ASP H H 164 8.356 8.356 8.207 0.149 17842 13071 1 17 . 1 1 166 166 SER C C 167 172.472 172.472 174.368 -1.896 17842 13072 1 17 . 1 1 166 166 SER CA C 167 56.760 56.760 57.923 -1.163 17842 13073 1 17 . 1 1 167 167 SER N N 168 115.939 115.939 117.111 -1.172 17842 13074 1 17 . 1 1 167 167 SER C C 168 173.318 173.318 173.370 -0.052 17842 13075 1 17 . 1 1 167 167 SER CA C 168 56.763 56.763 57.715 -0.952 17842 13076 1 17 . 1 1 167 167 SER CB C 168 65.286 65.286 65.798 -0.512 17842 13077 1 17 . 1 1 167 167 SER H H 168 8.678 8.678 8.809 -0.131 17842 13078 1 17 . 1 1 168 168 SER C C 169 172.500 172.500 173.980 -1.480 17842 13079 1 17 . 1 1 168 168 SER CA C 169 56.569 56.569 57.924 -1.355 17842 13080 1 17 . 1 1 168 168 SER CB C 169 65.738 65.738 63.611 2.127 17842 13081 1 17 . 1 1 169 169 GLN N N 170 122.951 122.951 123.986 -1.035 17842 13082 1 17 . 1 1 169 169 GLN C C 170 174.697 174.697 174.190 0.507 17842 13083 1 17 . 1 1 169 169 GLN CA C 170 54.038 54.038 55.071 -1.033 17842 13084 1 17 . 1 1 169 169 GLN CB C 170 32.383 32.383 32.601 -0.218 17842 13085 1 17 . 1 1 169 169 GLN H H 170 8.745 8.745 8.307 0.438 17842 13086 1 17 . 1 1 170 170 PHE N N 171 125.628 125.628 121.122 4.506 17842 13087 1 17 . 1 1 170 170 PHE C C 171 174.628 174.628 175.308 -0.680 17842 13088 1 17 . 1 1 170 170 PHE CA C 171 56.200 56.200 57.389 -1.189 17842 13089 1 17 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.186 -0.634 17842 13090 1 17 . 1 1 170 170 PHE H H 171 7.771 7.771 8.828 -1.057 17842 13091 1 17 . 1 1 171 171 TYR N N 172 121.558 121.558 123.640 -2.082 17842 13092 1 17 . 1 1 171 171 TYR C C 172 171.727 171.727 173.812 -2.085 17842 13093 1 17 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.747 -1.701 17842 13094 1 17 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.359 0.080 17842 13095 1 17 . 1 1 171 171 TYR H H 172 8.696 8.696 9.173 -0.477 17842 13096 1 17 . 1 1 172 172 LEU N N 173 119.230 119.230 126.656 -7.426 17842 13097 1 17 . 1 1 172 172 LEU C C 173 176.352 176.352 174.663 1.689 17842 13098 1 17 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.919 -2.176 17842 13099 1 17 . 1 1 172 172 LEU CB C 173 46.537 46.537 45.961 0.577 17842 13100 1 17 . 1 1 172 172 LEU H H 173 8.971 8.971 8.095 0.876 17842 13101 1 17 . 1 1 173 173 GLY N N 174 107.248 107.248 110.968 -3.720 17842 13102 1 17 . 1 1 173 173 GLY C C 174 170.680 170.680 172.069 -1.389 17842 13103 1 17 . 1 1 173 173 GLY CA C 174 44.920 44.920 45.919 -0.999 17842 13104 1 17 . 1 1 173 173 GLY H H 174 9.085 9.085 8.396 0.689 17842 13105 1 17 . 1 1 174 174 ALA N N 175 121.461 121.461 121.195 0.266 17842 13106 1 17 . 1 1 174 174 ALA C C 175 174.546 174.546 175.263 -0.717 17842 13107 1 17 . 1 1 174 174 ALA CA C 175 50.312 50.312 49.679 0.633 17842 13108 1 17 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.125 -0.482 17842 13109 1 17 . 1 1 174 174 ALA H H 175 8.575 8.575 7.732 0.843 17842 13110 1 17 . 1 1 175 175 ASN N N 176 117.370 117.370 115.995 1.375 17842 13111 1 17 . 1 1 175 175 ASN C C 176 173.370 173.370 172.934 0.436 17842 13112 1 17 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.237 -1.638 17842 13113 1 17 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.413 -0.456 17842 13114 1 17 . 1 1 175 175 ASN H H 176 8.762 8.762 8.129 0.633 17842 13115 1 17 . 1 1 176 176 TYR N N 177 122.724 122.724 123.299 -0.575 17842 13116 1 17 . 1 1 176 176 TYR C C 177 173.924 173.924 175.319 -1.395 17842 13117 1 17 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.142 0.296 17842 13118 1 17 . 1 1 176 176 TYR CB C 177 42.401 42.401 39.910 2.490 17842 13119 1 17 . 1 1 176 176 TYR H H 177 9.570 9.570 9.236 0.334 17842 13120 1 17 . 1 1 177 177 LYS N N 178 127.067 127.067 123.387 3.680 17842 13121 1 17 . 1 1 177 177 LYS C C 178 174.336 174.336 175.130 -0.794 17842 13122 1 17 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.068 -0.825 17842 13123 1 17 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.346 0.605 17842 13124 1 17 . 1 1 177 177 LYS H H 178 8.284 8.284 8.033 0.251 17842 13125 1 18 . 1 1 2 2 ASP N N 3 119.767 119.767 119.567 0.200 17842 13126 1 18 . 1 1 2 2 ASP C C 3 175.809 175.809 174.725 1.084 17842 13127 1 18 . 1 1 2 2 ASP CA C 3 53.303 53.303 52.540 0.763 17842 13128 1 18 . 1 1 2 2 ASP CB C 3 42.915 42.915 45.378 -2.463 17842 13129 1 18 . 1 1 2 2 ASP H H 3 8.443 8.443 8.652 -0.209 17842 13130 1 18 . 1 1 3 3 ASN N N 4 123.667 123.667 119.067 4.600 17842 13131 1 18 . 1 1 3 3 ASN C C 4 174.736 174.736 174.305 0.431 17842 13132 1 18 . 1 1 3 3 ASN CA C 4 52.911 52.911 53.024 -0.113 17842 13133 1 18 . 1 1 3 3 ASN CB C 4 39.160 39.160 41.434 -2.274 17842 13134 1 18 . 1 1 3 3 ASN H H 4 8.923 8.923 8.782 0.141 17842 13135 1 18 . 1 1 4 4 PHE N N 5 118.447 118.447 122.957 -4.510 17842 13136 1 18 . 1 1 4 4 PHE C C 5 172.331 172.331 173.492 -1.161 17842 13137 1 18 . 1 1 4 4 PHE CA C 5 56.052 56.052 57.333 -1.281 17842 13138 1 18 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.969 -1.106 17842 13139 1 18 . 1 1 4 4 PHE H H 5 8.910 8.910 8.888 0.022 17842 13140 1 18 . 1 1 5 5 VAL N N 6 116.195 116.195 122.560 -6.365 17842 13141 1 18 . 1 1 5 5 VAL C C 6 174.144 174.144 174.201 -0.057 17842 13142 1 18 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.668 -2.139 17842 13143 1 18 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.425 0.393 17842 13144 1 18 . 1 1 5 5 VAL H H 6 8.903 8.903 8.908 -0.005 17842 13145 1 18 . 1 1 6 6 GLY N N 7 110.150 110.150 115.497 -5.347 17842 13146 1 18 . 1 1 6 6 GLY C C 7 170.825 170.825 171.766 -0.941 17842 13147 1 18 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.604 0.614 17842 13148 1 18 . 1 1 6 6 GLY H H 7 8.670 8.670 9.241 -0.571 17842 13149 1 18 . 1 1 7 7 LEU N N 8 120.059 120.059 118.756 1.303 17842 13150 1 18 . 1 1 7 7 LEU C C 8 175.596 175.596 174.879 0.717 17842 13151 1 18 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.696 -1.763 17842 13152 1 18 . 1 1 7 7 LEU CB C 8 47.663 47.663 47.329 0.334 17842 13153 1 18 . 1 1 7 7 LEU H H 8 8.562 8.562 7.960 0.602 17842 13154 1 18 . 1 1 8 8 THR N N 9 112.180 112.180 114.161 -1.981 17842 13155 1 18 . 1 1 8 8 THR C C 9 172.942 172.942 172.311 0.631 17842 13156 1 18 . 1 1 8 8 THR CA C 9 59.539 59.539 60.337 -0.797 17842 13157 1 18 . 1 1 8 8 THR CB C 9 70.735 70.735 71.515 -0.780 17842 13158 1 18 . 1 1 8 8 THR H H 9 9.114 9.114 8.898 0.216 17842 13159 1 18 . 1 1 9 9 TRP N N 10 121.476 121.476 123.446 -1.970 17842 13160 1 18 . 1 1 9 9 TRP C C 10 174.622 174.622 174.089 0.533 17842 13161 1 18 . 1 1 9 9 TRP CA C 10 56.418 56.418 56.238 0.180 17842 13162 1 18 . 1 1 9 9 TRP CB C 10 31.877 31.877 33.982 -2.105 17842 13163 1 18 . 1 1 9 9 TRP H H 10 9.022 9.022 7.500 1.522 17842 13164 1 18 . 1 1 10 10 GLY N N 11 112.750 112.750 112.782 -0.032 17842 13165 1 18 . 1 1 10 10 GLY C C 11 171.655 171.655 172.725 -1.070 17842 13166 1 18 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.975 0.965 17842 13167 1 18 . 1 1 10 10 GLY H H 11 7.798 7.798 8.797 -0.999 17842 13168 1 18 . 1 1 11 11 GLU N N 12 117.292 117.292 124.843 -7.551 17842 13169 1 18 . 1 1 11 11 GLU C C 12 175.810 175.810 176.128 -0.318 17842 13170 1 18 . 1 1 11 11 GLU CA C 12 53.743 53.743 55.332 -1.589 17842 13171 1 18 . 1 1 11 11 GLU CB C 12 31.361 31.361 30.995 0.366 17842 13172 1 18 . 1 1 11 11 GLU H H 12 8.223 8.223 8.813 -0.590 17842 13173 1 18 . 1 1 12 12 THR N N 13 123.477 123.477 120.394 3.083 17842 13174 1 18 . 1 1 12 12 THR C C 13 174.233 174.233 173.739 0.494 17842 13175 1 18 . 1 1 12 12 THR CA C 13 61.872 61.872 61.684 0.188 17842 13176 1 18 . 1 1 12 12 THR CB C 13 69.374 69.374 70.575 -1.201 17842 13177 1 18 . 1 1 12 12 THR H H 13 8.722 8.722 8.453 0.269 17842 13178 1 18 . 1 1 13 13 SER N N 14 122.220 122.220 119.793 2.427 17842 13179 1 18 . 1 1 13 13 SER C C 14 173.577 173.577 173.295 0.282 17842 13180 1 18 . 1 1 13 13 SER CA C 14 56.934 56.934 58.740 -1.806 17842 13181 1 18 . 1 1 13 13 SER CB C 14 64.249 64.249 64.638 -0.389 17842 13182 1 18 . 1 1 13 13 SER H H 14 9.225 9.225 8.690 0.535 17842 13183 1 18 . 1 1 14 14 ASN N N 15 125.159 125.159 121.085 4.074 17842 13184 1 18 . 1 1 14 14 ASN C C 15 174.673 174.673 174.362 0.311 17842 13185 1 18 . 1 1 14 14 ASN CA C 15 51.888 51.888 53.127 -1.239 17842 13186 1 18 . 1 1 14 14 ASN CB C 15 39.777 39.777 39.619 0.158 17842 13187 1 18 . 1 1 14 14 ASN H H 15 8.745 8.745 8.631 0.114 17842 13188 1 18 . 1 1 15 15 ASN N N 16 120.330 120.330 119.775 0.555 17842 13189 1 18 . 1 1 15 15 ASN C C 16 175.886 175.886 174.817 1.069 17842 13190 1 18 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.762 -0.982 17842 13191 1 18 . 1 1 15 15 ASN CB C 16 38.595 38.595 39.422 -0.827 17842 13192 1 18 . 1 1 15 15 ASN H H 16 8.494 8.494 8.020 0.474 17842 13193 1 18 . 1 1 20 20 LYS C C 21 176.705 176.705 175.191 1.514 17842 13194 1 18 . 1 1 20 20 LYS CA C 21 56.683 56.683 57.036 -0.353 17842 13195 1 18 . 1 1 21 21 SER N N 22 115.966 115.966 117.159 -1.193 17842 13196 1 18 . 1 1 21 21 SER C C 22 174.564 174.564 174.098 0.466 17842 13197 1 18 . 1 1 21 21 SER CA C 22 58.149 58.149 58.210 -0.061 17842 13198 1 18 . 1 1 21 21 SER CB C 22 63.308 63.308 64.124 -0.816 17842 13199 1 18 . 1 1 21 21 SER H H 22 8.053 8.053 8.570 -0.517 17842 13200 1 18 . 1 1 22 22 LEU N N 23 123.751 123.751 121.419 2.332 17842 13201 1 18 . 1 1 22 22 LEU C C 23 176.968 176.968 175.350 1.618 17842 13202 1 18 . 1 1 22 22 LEU CA C 23 55.269 55.269 55.316 -0.046 17842 13203 1 18 . 1 1 22 22 LEU CB C 23 42.334 42.334 42.256 0.078 17842 13204 1 18 . 1 1 22 22 LEU H H 23 8.006 8.006 7.740 0.266 17842 13205 1 18 . 1 1 23 23 ASN N N 24 118.937 118.937 118.807 0.130 17842 13206 1 18 . 1 1 23 23 ASN C C 24 175.119 175.119 175.449 -0.330 17842 13207 1 18 . 1 1 23 23 ASN CA C 24 52.993 52.993 52.547 0.446 17842 13208 1 18 . 1 1 23 23 ASN CB C 24 38.255 38.255 40.138 -1.883 17842 13209 1 18 . 1 1 23 23 ASN H H 24 8.136 8.136 8.012 0.124 17842 13210 1 18 . 1 1 24 24 ARG N N 25 121.500 121.500 120.369 1.131 17842 13211 1 18 . 1 1 24 24 ARG C C 25 175.849 175.849 176.289 -0.440 17842 13212 1 18 . 1 1 24 24 ARG CA C 25 56.368 56.368 57.287 -0.919 17842 13213 1 18 . 1 1 24 24 ARG CB C 25 30.366 30.366 30.215 0.151 17842 13214 1 18 . 1 1 24 24 ARG H H 25 8.097 8.097 8.717 -0.620 17842 13215 1 18 . 1 1 25 25 ASN N N 26 119.196 119.196 117.114 2.082 17842 13216 1 18 . 1 1 25 25 ASN C C 26 175.122 175.122 174.556 0.566 17842 13217 1 18 . 1 1 25 25 ASN CA C 26 53.061 53.061 52.861 0.200 17842 13218 1 18 . 1 1 25 25 ASN CB C 26 38.291 38.291 40.806 -2.515 17842 13219 1 18 . 1 1 25 25 ASN H H 26 8.278 8.278 8.149 0.129 17842 13220 1 18 . 1 1 26 26 LEU N N 27 122.352 122.352 121.081 1.271 17842 13221 1 18 . 1 1 26 26 LEU C C 27 176.903 176.903 176.594 0.309 17842 13222 1 18 . 1 1 26 26 LEU CA C 27 55.326 55.326 55.248 0.078 17842 13223 1 18 . 1 1 26 26 LEU CB C 27 42.186 42.186 41.893 0.293 17842 13224 1 18 . 1 1 26 26 LEU H H 27 7.992 7.992 8.442 -0.450 17842 13225 1 18 . 1 1 27 27 ASN N N 28 118.444 118.444 118.844 -0.400 17842 13226 1 18 . 1 1 27 27 ASN C C 28 174.754 174.754 174.732 0.022 17842 13227 1 18 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.864 -0.904 17842 13228 1 18 . 1 1 27 27 ASN CB C 28 38.419 38.419 39.362 -0.943 17842 13229 1 18 . 1 1 27 27 ASN H H 28 8.216 8.216 8.293 -0.078 17842 13230 1 18 . 1 1 28 28 SER N N 29 116.471 116.471 112.894 3.577 17842 13231 1 18 . 1 1 28 28 SER C C 29 172.778 172.778 172.273 0.505 17842 13232 1 18 . 1 1 28 28 SER CA C 29 55.982 55.982 58.769 -2.787 17842 13233 1 18 . 1 1 28 28 SER CB C 29 63.179 63.179 63.316 -0.137 17842 13234 1 18 . 1 1 28 28 SER H H 29 7.833 7.833 8.351 -0.518 17842 13235 1 18 . 1 1 29 29 PRO C C 30 176.535 176.535 175.717 0.818 17842 13236 1 18 . 1 1 29 29 PRO CA C 30 63.458 63.458 62.931 0.527 17842 13237 1 18 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.050 -0.378 17842 13238 1 18 . 1 1 30 30 ASN N N 31 118.189 118.189 119.067 -0.878 17842 13239 1 18 . 1 1 30 30 ASN C C 31 175.075 175.075 174.365 0.710 17842 13240 1 18 . 1 1 30 30 ASN CA C 31 53.051 53.051 53.373 -0.322 17842 13241 1 18 . 1 1 30 30 ASN CB C 31 38.277 38.277 39.298 -1.021 17842 13242 1 18 . 1 1 30 30 ASN H H 31 8.231 8.231 8.428 -0.197 17842 13243 1 18 . 1 1 31 31 LEU N N 32 122.838 122.838 123.804 -0.966 17842 13244 1 18 . 1 1 31 31 LEU C C 32 176.800 176.800 176.401 0.399 17842 13245 1 18 . 1 1 31 31 LEU CA C 32 55.107 55.107 54.899 0.208 17842 13246 1 18 . 1 1 31 31 LEU CB C 32 42.291 42.291 43.546 -1.255 17842 13247 1 18 . 1 1 31 31 LEU H H 32 8.011 8.011 8.379 -0.368 17842 13248 1 18 . 1 1 32 32 ASP N N 33 120.740 120.740 124.354 -3.614 17842 13249 1 18 . 1 1 32 32 ASP C C 33 175.863 175.863 176.128 -0.265 17842 13250 1 18 . 1 1 32 32 ASP CA C 33 54.331 54.331 55.383 -1.052 17842 13251 1 18 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.517 -0.759 17842 13252 1 18 . 1 1 32 32 ASP H H 33 8.151 8.151 8.897 -0.746 17842 13253 1 18 . 1 1 33 33 LYS N N 34 120.746 120.746 117.917 2.829 17842 13254 1 18 . 1 1 33 33 LYS C C 34 175.912 175.912 176.770 -0.858 17842 13255 1 18 . 1 1 33 33 LYS CA C 34 55.865 55.865 56.528 -0.663 17842 13256 1 18 . 1 1 33 33 LYS CB C 34 32.738 32.738 33.556 -0.818 17842 13257 1 18 . 1 1 33 33 LYS H H 34 7.933 7.933 7.893 0.040 17842 13258 1 18 . 1 1 34 34 VAL N N 35 121.590 121.590 120.426 1.164 17842 13259 1 18 . 1 1 34 34 VAL C C 35 175.691 175.691 175.679 0.012 17842 13260 1 18 . 1 1 34 34 VAL CA C 35 62.186 62.186 62.649 -0.463 17842 13261 1 18 . 1 1 34 34 VAL CB C 35 32.591 32.591 32.958 -0.367 17842 13262 1 18 . 1 1 34 34 VAL H H 35 7.995 7.995 8.071 -0.076 17842 13263 1 18 . 1 1 35 35 ILE N N 36 124.025 124.025 121.528 2.497 17842 13264 1 18 . 1 1 35 35 ILE C C 36 175.266 175.266 174.422 0.844 17842 13265 1 18 . 1 1 35 35 ILE CA C 36 60.495 60.495 62.324 -1.829 17842 13266 1 18 . 1 1 35 35 ILE CB C 36 38.489 38.489 37.609 0.879 17842 13267 1 18 . 1 1 35 35 ILE H H 36 8.034 8.034 8.063 -0.029 17842 13268 1 18 . 1 1 36 36 ASP N N 37 125.860 125.860 118.488 7.372 17842 13269 1 18 . 1 1 36 36 ASP C C 37 175.014 175.014 174.557 0.457 17842 13270 1 18 . 1 1 36 36 ASP CA C 37 53.719 53.719 53.953 -0.234 17842 13271 1 18 . 1 1 36 36 ASP CB C 37 41.755 41.755 42.692 -0.937 17842 13272 1 18 . 1 1 36 36 ASP H H 37 8.190 8.190 8.276 -0.086 17842 13273 1 18 . 1 1 37 37 ASN N N 38 120.770 120.770 122.650 -1.880 17842 13274 1 18 . 1 1 37 37 ASN C C 38 174.821 174.821 174.875 -0.054 17842 13275 1 18 . 1 1 37 37 ASN CA C 38 53.157 53.157 52.423 0.734 17842 13276 1 18 . 1 1 37 37 ASN CB C 38 38.663 38.663 40.458 -1.795 17842 13277 1 18 . 1 1 37 37 ASN H H 38 8.334 8.334 8.266 0.068 17842 13278 1 18 . 1 1 38 38 THR N N 39 115.976 115.976 108.735 7.241 17842 13279 1 18 . 1 1 38 38 THR C C 39 175.226 175.226 174.080 1.146 17842 13280 1 18 . 1 1 38 38 THR CA C 39 62.215 62.215 61.327 0.888 17842 13281 1 18 . 1 1 38 38 THR CB C 39 69.618 69.618 69.732 -0.114 17842 13282 1 18 . 1 1 38 38 THR H H 39 8.508 8.508 8.201 0.307 17842 13283 1 18 . 1 1 39 39 GLY N N 40 115.818 115.818 109.914 5.904 17842 13284 1 18 . 1 1 39 39 GLY C C 40 172.862 172.862 173.161 -0.299 17842 13285 1 18 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.950 0.218 17842 13286 1 18 . 1 1 39 39 GLY H H 40 8.819 8.819 7.645 1.174 17842 13287 1 18 . 1 1 40 40 THR N N 41 119.787 119.787 121.229 -1.442 17842 13288 1 18 . 1 1 40 40 THR C C 41 172.914 172.914 173.351 -0.437 17842 13289 1 18 . 1 1 40 40 THR CA C 41 61.321 61.321 61.331 -0.010 17842 13290 1 18 . 1 1 40 40 THR CB C 41 71.499 71.499 70.518 0.981 17842 13291 1 18 . 1 1 40 40 THR H H 41 8.117 8.117 7.581 0.536 17842 13292 1 18 . 1 1 41 41 TRP N N 42 128.090 128.090 124.949 3.141 17842 13293 1 18 . 1 1 41 41 TRP C C 42 174.627 174.627 174.007 0.620 17842 13294 1 18 . 1 1 41 41 TRP CA C 42 55.122 55.122 54.242 0.880 17842 13295 1 18 . 1 1 41 41 TRP CB C 42 31.905 31.905 31.343 0.562 17842 13296 1 18 . 1 1 41 41 TRP H H 42 8.178 8.178 7.329 0.849 17842 13297 1 18 . 1 1 42 42 GLY N N 43 109.883 109.883 104.910 4.973 17842 13298 1 18 . 1 1 42 42 GLY C C 43 172.317 172.317 172.288 0.029 17842 13299 1 18 . 1 1 42 42 GLY CA C 43 44.176 44.176 45.596 -1.420 17842 13300 1 18 . 1 1 42 42 GLY H H 43 8.892 8.892 8.097 0.795 17842 13301 1 18 . 1 1 43 43 ILE N N 44 118.005 118.005 120.808 -2.803 17842 13302 1 18 . 1 1 43 43 ILE C C 44 173.071 173.071 174.522 -1.451 17842 13303 1 18 . 1 1 43 43 ILE CA C 44 58.606 58.606 60.208 -1.602 17842 13304 1 18 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.812 0.318 17842 13305 1 18 . 1 1 43 43 ILE H H 44 8.879 8.879 8.004 0.875 17842 13306 1 18 . 1 1 44 44 ARG N N 45 120.855 120.855 120.204 0.651 17842 13307 1 18 . 1 1 44 44 ARG C C 45 174.942 174.942 174.738 0.204 17842 13308 1 18 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.085 -1.196 17842 13309 1 18 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.660 -0.709 17842 13310 1 18 . 1 1 44 44 ARG H H 45 8.708 8.708 9.436 -0.728 17842 13311 1 18 . 1 1 45 45 ALA N N 46 119.127 119.127 123.718 -4.591 17842 13312 1 18 . 1 1 45 45 ALA C C 46 175.693 175.693 175.476 0.217 17842 13313 1 18 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.565 -1.945 17842 13314 1 18 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.692 0.090 17842 13315 1 18 . 1 1 45 45 ALA H H 46 8.419 8.419 8.436 -0.017 17842 13316 1 18 . 1 1 46 46 GLY N N 47 107.350 107.350 110.076 -2.726 17842 13317 1 18 . 1 1 46 46 GLY C C 47 171.353 171.353 172.034 -0.681 17842 13318 1 18 . 1 1 46 46 GLY CA C 47 45.630 45.630 46.151 -0.521 17842 13319 1 18 . 1 1 46 46 GLY H H 47 7.819 7.819 9.368 -1.549 17842 13320 1 18 . 1 1 47 47 GLN N N 48 118.061 118.061 120.543 -2.482 17842 13321 1 18 . 1 1 47 47 GLN C C 48 173.671 173.671 173.718 -0.047 17842 13322 1 18 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.821 -0.456 17842 13323 1 18 . 1 1 47 47 GLN CB C 48 32.912 32.912 33.498 -0.586 17842 13324 1 18 . 1 1 47 47 GLN H H 48 8.483 8.483 8.471 0.012 17842 13325 1 18 . 1 1 48 48 GLN N N 49 122.691 122.691 126.122 -3.431 17842 13326 1 18 . 1 1 48 48 GLN C C 49 173.291 173.291 174.580 -1.289 17842 13327 1 18 . 1 1 48 48 GLN CA C 49 54.593 54.593 54.875 -0.282 17842 13328 1 18 . 1 1 48 48 GLN CB C 49 30.750 30.750 30.121 0.629 17842 13329 1 18 . 1 1 48 48 GLN H H 49 9.319 9.319 8.910 0.409 17842 13330 1 18 . 1 1 49 49 PHE N N 50 126.379 126.379 124.922 1.457 17842 13331 1 18 . 1 1 49 49 PHE C C 50 175.918 175.918 175.923 -0.005 17842 13332 1 18 . 1 1 49 49 PHE CA C 50 55.013 55.013 54.899 0.114 17842 13333 1 18 . 1 1 49 49 PHE CB C 50 39.974 39.974 39.940 0.034 17842 13334 1 18 . 1 1 49 49 PHE H H 50 8.781 8.781 7.972 0.809 17842 13335 1 18 . 1 1 50 50 GLU N N 51 121.087 121.087 119.648 1.439 17842 13336 1 18 . 1 1 50 50 GLU C C 51 178.452 178.452 177.201 1.251 17842 13337 1 18 . 1 1 50 50 GLU CA C 51 60.435 60.435 58.901 1.534 17842 13338 1 18 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.393 -0.707 17842 13339 1 18 . 1 1 50 50 GLU H H 51 8.975 8.975 8.975 -0.000 17842 13340 1 18 . 1 1 51 51 GLN N N 52 111.198 111.198 117.286 -6.088 17842 13341 1 18 . 1 1 51 51 GLN C C 52 176.031 176.031 174.826 1.205 17842 13342 1 18 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.375 0.461 17842 13343 1 18 . 1 1 51 51 GLN CB C 52 28.617 28.617 29.105 -0.488 17842 13344 1 18 . 1 1 51 51 GLN H H 52 7.955 7.955 8.488 -0.533 17842 13345 1 18 . 1 1 52 52 GLY N N 53 110.800 110.800 106.005 4.795 17842 13346 1 18 . 1 1 52 52 GLY C C 53 169.076 169.076 171.524 -2.448 17842 13347 1 18 . 1 1 52 52 GLY CA C 53 45.303 45.303 44.651 0.652 17842 13348 1 18 . 1 1 52 52 GLY H H 53 6.696 6.696 7.914 -1.218 17842 13349 1 18 . 1 1 53 53 ARG N N 54 111.857 111.857 119.106 -7.249 17842 13350 1 18 . 1 1 53 53 ARG C C 54 172.397 172.397 174.310 -1.913 17842 13351 1 18 . 1 1 53 53 ARG CA C 54 54.227 54.227 54.469 -0.242 17842 13352 1 18 . 1 1 53 53 ARG CB C 54 31.755 31.755 32.184 -0.429 17842 13353 1 18 . 1 1 53 53 ARG H H 54 8.216 8.216 8.532 -0.316 17842 13354 1 18 . 1 1 54 54 TYR N N 55 116.379 116.379 127.651 -11.272 17842 13355 1 18 . 1 1 54 54 TYR C C 55 175.461 175.461 174.747 0.714 17842 13356 1 18 . 1 1 54 54 TYR CA C 55 55.296 55.296 56.383 -1.087 17842 13357 1 18 . 1 1 54 54 TYR CB C 55 41.539 41.539 41.939 -0.400 17842 13358 1 18 . 1 1 54 54 TYR H H 55 8.477 8.477 8.641 -0.164 17842 13359 1 18 . 1 1 55 55 TYR N N 56 114.651 114.651 120.122 -5.471 17842 13360 1 18 . 1 1 55 55 TYR C C 56 173.431 173.431 172.866 0.565 17842 13361 1 18 . 1 1 55 55 TYR CA C 56 55.886 55.886 57.123 -1.237 17842 13362 1 18 . 1 1 55 55 TYR CB C 56 37.595 37.595 39.048 -1.453 17842 13363 1 18 . 1 1 55 55 TYR H H 56 8.221 8.221 7.907 0.314 17842 13364 1 18 . 1 1 56 56 ALA N N 57 125.460 125.460 125.820 -0.360 17842 13365 1 18 . 1 1 56 56 ALA C C 57 175.737 175.737 176.714 -0.977 17842 13366 1 18 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.577 -1.429 17842 13367 1 18 . 1 1 56 56 ALA CB C 57 20.777 20.777 20.501 0.276 17842 13368 1 18 . 1 1 56 56 ALA H H 57 9.034 9.034 8.488 0.546 17842 13369 1 18 . 1 1 57 57 THR N N 58 116.923 116.923 121.356 -4.433 17842 13370 1 18 . 1 1 57 57 THR C C 58 173.462 173.462 173.990 -0.528 17842 13371 1 18 . 1 1 57 57 THR CA C 58 61.458 61.458 60.705 0.753 17842 13372 1 18 . 1 1 57 57 THR CB C 58 71.683 71.683 69.485 2.198 17842 13373 1 18 . 1 1 57 57 THR H H 58 8.907 8.907 8.619 0.288 17842 13374 1 18 . 1 1 58 58 TYR N N 59 126.784 126.784 128.848 -2.064 17842 13375 1 18 . 1 1 58 58 TYR C C 59 173.954 173.954 175.229 -1.275 17842 13376 1 18 . 1 1 58 58 TYR CA C 59 55.682 55.682 58.309 -2.627 17842 13377 1 18 . 1 1 58 58 TYR CB C 59 41.320 41.320 39.284 2.036 17842 13378 1 18 . 1 1 58 58 TYR H H 59 8.974 8.974 9.053 -0.079 17842 13379 1 18 . 1 1 59 59 GLU N N 60 124.211 124.211 124.611 -0.400 17842 13380 1 18 . 1 1 59 59 GLU C C 60 173.989 173.989 175.038 -1.049 17842 13381 1 18 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.815 -1.891 17842 13382 1 18 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.324 0.418 17842 13383 1 18 . 1 1 59 59 GLU H H 60 8.049 8.049 9.090 -1.041 17842 13384 1 18 . 1 1 60 60 ASN N N 61 118.358 118.358 119.138 -0.780 17842 13385 1 18 . 1 1 60 60 ASN C C 61 173.609 173.609 172.939 0.670 17842 13386 1 18 . 1 1 60 60 ASN CA C 61 52.281 52.281 53.017 -0.736 17842 13387 1 18 . 1 1 60 60 ASN H H 61 8.155 8.155 7.822 0.333 17842 13388 1 18 . 1 1 61 61 ILE C C 62 174.902 174.902 175.375 -0.473 17842 13389 1 18 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.513 0.467 17842 13390 1 18 . 1 1 61 61 ILE CB C 62 40.772 40.772 39.089 1.683 17842 13391 1 18 . 1 1 62 62 SER N N 63 121.368 121.368 116.912 4.456 17842 13392 1 18 . 1 1 62 62 SER C C 63 173.027 173.027 173.212 -0.185 17842 13393 1 18 . 1 1 62 62 SER CA C 63 57.295 57.295 59.428 -2.132 17842 13394 1 18 . 1 1 62 62 SER CB C 63 64.306 64.306 63.622 0.684 17842 13395 1 18 . 1 1 62 62 SER H H 63 8.339 8.339 8.756 -0.417 17842 13396 1 18 . 1 1 63 63 ASP N N 64 124.300 124.300 122.253 2.047 17842 13397 1 18 . 1 1 63 63 ASP C C 64 176.570 176.570 175.198 1.372 17842 13398 1 18 . 1 1 63 63 ASP CA C 64 53.291 53.291 53.664 -0.373 17842 13399 1 18 . 1 1 63 63 ASP CB C 64 42.484 42.484 43.370 -0.886 17842 13400 1 18 . 1 1 63 63 ASP H H 64 8.596 8.596 8.393 0.203 17842 13401 1 18 . 1 1 64 64 THR N N 65 116.756 116.756 113.116 3.640 17842 13402 1 18 . 1 1 64 64 THR C C 65 175.975 175.975 174.153 1.822 17842 13403 1 18 . 1 1 64 64 THR CA C 65 61.608 61.608 63.006 -1.398 17842 13404 1 18 . 1 1 64 64 THR CB C 65 68.856 68.856 69.107 -0.251 17842 13405 1 18 . 1 1 64 64 THR H H 65 8.581 8.581 8.014 0.567 17842 13406 1 18 . 1 1 65 65 SER N N 66 119.276 119.276 114.922 4.354 17842 13407 1 18 . 1 1 65 65 SER CA C 66 59.728 59.728 60.172 -0.444 17842 13408 1 18 . 1 1 65 65 SER CB C 66 63.514 63.514 63.482 0.032 17842 13409 1 18 . 1 1 65 65 SER H H 66 8.492 8.492 8.455 0.037 17842 13410 1 18 . 1 1 66 66 SER C C 67 175.122 175.122 175.513 -0.391 17842 13411 1 18 . 1 1 66 66 SER CA C 67 58.554 58.554 59.717 -1.163 17842 13412 1 18 . 1 1 67 67 GLY N N 68 110.266 110.266 110.622 -0.356 17842 13413 1 18 . 1 1 67 67 GLY C C 68 173.832 173.832 173.542 0.290 17842 13414 1 18 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.971 0.236 17842 13415 1 18 . 1 1 67 67 GLY H H 68 8.184 8.184 7.850 0.334 17842 13416 1 18 . 1 1 68 68 ASN N N 69 118.584 118.584 116.430 2.154 17842 13417 1 18 . 1 1 68 68 ASN C C 69 174.239 174.239 173.160 1.079 17842 13418 1 18 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.601 0.129 17842 13419 1 18 . 1 1 68 68 ASN CB C 69 38.938 38.938 42.006 -3.068 17842 13420 1 18 . 1 1 68 68 ASN H H 69 7.972 7.972 8.243 -0.271 17842 13421 1 18 . 1 1 72 72 GLN C C 73 173.610 173.610 174.796 -1.186 17842 13422 1 18 . 1 1 72 72 GLN CA C 73 53.449 53.449 54.566 -1.117 17842 13423 1 18 . 1 1 73 73 GLN N N 74 123.659 123.659 116.566 7.093 17842 13424 1 18 . 1 1 73 73 GLN C C 74 173.276 173.276 173.493 -0.217 17842 13425 1 18 . 1 1 73 73 GLN CA C 74 53.544 53.544 56.215 -2.671 17842 13426 1 18 . 1 1 73 73 GLN CB C 74 34.344 34.344 33.928 0.416 17842 13427 1 18 . 1 1 73 73 GLN H H 74 8.697 8.697 8.182 0.515 17842 13428 1 18 . 1 1 74 74 ASN N N 75 118.720 118.720 120.270 -1.550 17842 13429 1 18 . 1 1 74 74 ASN C C 75 173.733 173.733 173.109 0.624 17842 13430 1 18 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.640 -2.371 17842 13431 1 18 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.591 -1.521 17842 13432 1 18 . 1 1 74 74 ASN H H 75 8.295 8.295 8.407 -0.112 17842 13433 1 18 . 1 1 75 75 LEU N N 76 124.353 124.353 127.756 -3.403 17842 13434 1 18 . 1 1 75 75 LEU C C 76 174.267 174.267 173.791 0.476 17842 13435 1 18 . 1 1 75 75 LEU CA C 76 53.916 53.916 53.590 0.326 17842 13436 1 18 . 1 1 75 75 LEU CB C 76 44.633 44.633 43.682 0.951 17842 13437 1 18 . 1 1 75 75 LEU H H 76 8.847 8.847 7.862 0.985 17842 13438 1 18 . 1 1 76 76 LEU N N 77 124.437 124.437 126.233 -1.796 17842 13439 1 18 . 1 1 76 76 LEU C C 77 175.188 175.188 175.338 -0.150 17842 13440 1 18 . 1 1 76 76 LEU CA C 77 52.934 52.934 53.540 -0.606 17842 13441 1 18 . 1 1 76 76 LEU CB C 77 45.115 45.115 46.600 -1.485 17842 13442 1 18 . 1 1 76 76 LEU H H 77 9.222 9.222 7.869 1.353 17842 13443 1 18 . 1 1 77 77 GLY N N 78 107.288 107.288 108.713 -1.425 17842 13444 1 18 . 1 1 77 77 GLY C C 78 171.733 171.733 173.378 -1.645 17842 13445 1 18 . 1 1 77 77 GLY CA C 78 44.160 44.160 43.928 0.232 17842 13446 1 18 . 1 1 77 77 GLY H H 78 9.132 9.132 8.913 0.219 17842 13447 1 18 . 1 1 78 78 SER N N 79 117.437 117.437 122.611 -5.174 17842 13448 1 18 . 1 1 78 78 SER C C 79 171.279 171.279 172.285 -1.006 17842 13449 1 18 . 1 1 78 78 SER CA C 79 57.272 57.272 58.233 -0.961 17842 13450 1 18 . 1 1 78 78 SER CB C 79 65.596 65.596 63.991 1.605 17842 13451 1 18 . 1 1 78 78 SER H H 79 8.210 8.210 8.582 -0.372 17842 13452 1 18 . 1 1 79 79 TYR N N 80 122.901 122.901 126.957 -4.056 17842 13453 1 18 . 1 1 79 79 TYR C C 80 173.757 173.757 172.865 0.892 17842 13454 1 18 . 1 1 79 79 TYR CA C 80 56.243 56.243 56.937 -0.694 17842 13455 1 18 . 1 1 79 79 TYR CB C 80 42.570 42.570 41.613 0.957 17842 13456 1 18 . 1 1 79 79 TYR H H 80 8.092 8.092 8.809 -0.717 17842 13457 1 18 . 1 1 80 80 ASP N N 81 122.808 122.808 125.243 -2.435 17842 13458 1 18 . 1 1 80 80 ASP C C 81 173.607 173.607 173.267 0.340 17842 13459 1 18 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.273 0.393 17842 13460 1 18 . 1 1 80 80 ASP CB C 81 45.787 45.787 44.461 1.326 17842 13461 1 18 . 1 1 80 80 ASP H H 81 8.268 8.268 7.937 0.331 17842 13462 1 18 . 1 1 81 81 ALA N N 82 121.201 121.201 121.255 -0.054 17842 13463 1 18 . 1 1 81 81 ALA C C 82 177.094 177.094 176.515 0.579 17842 13464 1 18 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.650 -0.905 17842 13465 1 18 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.968 0.543 17842 13466 1 18 . 1 1 81 81 ALA H H 82 8.931 8.931 8.030 0.901 17842 13467 1 18 . 1 1 82 82 PHE N N 83 116.305 116.305 121.850 -5.545 17842 13468 1 18 . 1 1 82 82 PHE C C 83 176.299 176.299 173.739 2.560 17842 13469 1 18 . 1 1 82 82 PHE CA C 83 52.664 52.664 54.229 -1.565 17842 13470 1 18 . 1 1 82 82 PHE CB C 83 42.121 42.121 40.651 1.470 17842 13471 1 18 . 1 1 82 82 PHE H H 83 7.404 7.404 8.781 -1.377 17842 13472 1 18 . 1 1 83 83 LEU N N 84 122.208 122.208 120.613 1.595 17842 13473 1 18 . 1 1 83 83 LEU C C 84 173.599 173.599 174.165 -0.566 17842 13474 1 18 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.336 -0.462 17842 13475 1 18 . 1 1 83 83 LEU CB C 84 45.366 45.366 45.653 -0.287 17842 13476 1 18 . 1 1 83 83 LEU H H 84 9.049 9.049 7.797 1.252 17842 13477 1 18 . 1 1 84 84 PRO C C 85 175.877 175.877 176.111 -0.234 17842 13478 1 18 . 1 1 84 84 PRO CA C 85 63.041 63.041 62.825 0.216 17842 13479 1 18 . 1 1 84 84 PRO CB C 85 31.486 31.486 30.772 0.714 17842 13480 1 18 . 1 1 85 85 ILE N N 86 119.588 119.588 124.922 -5.334 17842 13481 1 18 . 1 1 85 85 ILE C C 86 175.749 175.749 174.548 1.201 17842 13482 1 18 . 1 1 85 85 ILE CA C 86 59.267 59.267 60.672 -1.405 17842 13483 1 18 . 1 1 85 85 ILE CB C 86 39.835 39.835 40.352 -0.517 17842 13484 1 18 . 1 1 85 85 ILE H H 86 8.205 8.205 7.685 0.520 17842 13485 1 18 . 1 1 86 86 GLY N N 87 112.396 112.396 117.027 -4.631 17842 13486 1 18 . 1 1 86 86 GLY C C 87 174.218 174.218 173.151 1.067 17842 13487 1 18 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.657 0.035 17842 13488 1 18 . 1 1 86 86 GLY H H 87 8.364 8.364 8.450 -0.086 17842 13489 1 18 . 1 1 87 87 ASP N N 88 122.109 122.109 119.994 2.115 17842 13490 1 18 . 1 1 87 87 ASP C C 88 175.839 175.839 176.426 -0.587 17842 13491 1 18 . 1 1 87 87 ASP CA C 88 53.535 53.535 55.009 -1.474 17842 13492 1 18 . 1 1 87 87 ASP CB C 88 41.132 41.132 43.647 -2.515 17842 13493 1 18 . 1 1 87 87 ASP H H 88 8.249 8.249 8.037 0.212 17842 13494 1 18 . 1 1 88 88 ASN N N 89 116.308 116.308 116.017 0.291 17842 13495 1 18 . 1 1 88 88 ASN C C 89 175.100 175.100 173.626 1.474 17842 13496 1 18 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.481 -0.559 17842 13497 1 18 . 1 1 88 88 ASN CB C 89 38.183 38.183 39.714 -1.531 17842 13498 1 18 . 1 1 88 88 ASN H H 89 8.449 8.449 8.276 0.173 17842 13499 1 18 . 1 1 89 89 ASN N N 90 115.987 115.987 117.227 -1.240 17842 13500 1 18 . 1 1 89 89 ASN C C 90 173.909 173.909 173.320 0.589 17842 13501 1 18 . 1 1 89 89 ASN CA C 90 54.386 54.386 52.635 1.751 17842 13502 1 18 . 1 1 89 89 ASN CB C 90 37.657 37.657 38.071 -0.414 17842 13503 1 18 . 1 1 89 89 ASN H H 90 8.477 8.477 8.348 0.129 17842 13504 1 18 . 1 1 90 90 THR N N 91 116.991 116.991 111.124 5.867 17842 13505 1 18 . 1 1 90 90 THR C C 91 173.763 173.763 172.952 0.811 17842 13506 1 18 . 1 1 90 90 THR CA C 91 62.170 62.170 60.563 1.607 17842 13507 1 18 . 1 1 90 90 THR CB C 91 68.706 68.706 72.134 -3.428 17842 13508 1 18 . 1 1 90 90 THR H H 91 7.600 7.600 7.625 -0.025 17842 13509 1 18 . 1 1 91 91 LYS N N 92 124.349 124.349 123.873 0.476 17842 13510 1 18 . 1 1 91 91 LYS C C 92 175.815 175.815 176.511 -0.696 17842 13511 1 18 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.189 -0.783 17842 13512 1 18 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.240 1.258 17842 13513 1 18 . 1 1 91 91 LYS H H 92 9.249 9.249 8.664 0.585 17842 13514 1 18 . 1 1 92 92 LEU N N 93 123.462 123.462 128.827 -5.365 17842 13515 1 18 . 1 1 92 92 LEU C C 93 176.260 176.260 175.310 0.950 17842 13516 1 18 . 1 1 92 92 LEU CA C 93 53.829 53.829 54.743 -0.914 17842 13517 1 18 . 1 1 92 92 LEU CB C 93 43.614 43.614 42.141 1.473 17842 13518 1 18 . 1 1 92 92 LEU H H 93 8.650 8.650 8.181 0.469 17842 13519 1 18 . 1 1 93 93 PHE N N 94 119.497 119.497 122.623 -3.126 17842 13520 1 18 . 1 1 93 93 PHE C C 94 173.154 173.154 175.043 -1.889 17842 13521 1 18 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.158 0.978 17842 13522 1 18 . 1 1 93 93 PHE CB C 94 44.093 44.093 41.940 2.153 17842 13523 1 18 . 1 1 93 93 PHE H H 94 8.485 8.485 7.147 1.338 17842 13524 1 18 . 1 1 94 94 GLY N N 95 105.945 105.945 106.921 -0.976 17842 13525 1 18 . 1 1 94 94 GLY C C 95 171.815 171.815 172.664 -0.849 17842 13526 1 18 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.485 -1.103 17842 13527 1 18 . 1 1 94 94 GLY H H 95 8.256 8.256 8.088 0.168 17842 13528 1 18 . 1 1 95 95 GLY N N 96 110.432 110.432 110.511 -0.079 17842 13529 1 18 . 1 1 95 95 GLY C C 96 171.826 171.826 171.984 -0.158 17842 13530 1 18 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.892 0.994 17842 13531 1 18 . 1 1 95 95 GLY H H 96 9.005 9.005 8.881 0.124 17842 13532 1 18 . 1 1 96 96 ALA N N 97 117.509 117.509 120.494 -2.985 17842 13533 1 18 . 1 1 96 96 ALA C C 97 176.928 176.928 174.965 1.963 17842 13534 1 18 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.565 -1.164 17842 13535 1 18 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.764 0.661 17842 13536 1 18 . 1 1 96 96 ALA H H 97 8.039 8.039 8.581 -0.542 17842 13537 1 18 . 1 1 97 97 THR N N 98 118.891 118.891 113.026 5.865 17842 13538 1 18 . 1 1 97 97 THR C C 98 172.492 172.492 173.229 -0.737 17842 13539 1 18 . 1 1 97 97 THR CA C 98 61.730 61.730 59.714 2.016 17842 13540 1 18 . 1 1 97 97 THR CB C 98 73.046 73.046 71.251 1.795 17842 13541 1 18 . 1 1 97 97 THR H H 98 8.379 8.379 8.046 0.333 17842 13542 1 18 . 1 1 98 98 LEU N N 99 124.958 124.958 120.163 4.795 17842 13543 1 18 . 1 1 98 98 LEU C C 99 175.753 175.753 174.909 0.844 17842 13544 1 18 . 1 1 98 98 LEU CA C 99 53.474 53.474 54.354 -0.880 17842 13545 1 18 . 1 1 98 98 LEU CB C 99 47.243 47.243 45.142 2.101 17842 13546 1 18 . 1 1 98 98 LEU H H 99 8.880 8.880 8.297 0.583 17842 13547 1 18 . 1 1 99 99 GLY N N 100 106.645 106.645 109.646 -3.001 17842 13548 1 18 . 1 1 99 99 GLY C C 100 169.886 169.886 172.318 -2.432 17842 13549 1 18 . 1 1 99 99 GLY CA C 100 46.631 46.631 45.102 1.529 17842 13550 1 18 . 1 1 99 99 GLY H H 100 8.635 8.635 8.814 -0.179 17842 13551 1 18 . 1 1 100 100 LEU N N 101 121.823 121.823 116.139 5.684 17842 13552 1 18 . 1 1 100 100 LEU C C 101 174.876 174.876 174.879 -0.003 17842 13553 1 18 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.790 -1.719 17842 13554 1 18 . 1 1 100 100 LEU CB C 101 46.646 46.646 45.535 1.111 17842 13555 1 18 . 1 1 100 100 LEU H H 101 9.088 9.088 8.291 0.797 17842 13556 1 18 . 1 1 101 101 VAL N N 102 118.857 118.857 122.012 -3.155 17842 13557 1 18 . 1 1 101 101 VAL C C 102 174.015 174.015 175.284 -1.269 17842 13558 1 18 . 1 1 101 101 VAL CA C 102 59.666 59.666 61.066 -1.400 17842 13559 1 18 . 1 1 101 101 VAL CB C 102 35.406 35.406 33.107 2.299 17842 13560 1 18 . 1 1 101 101 VAL H H 102 8.291 8.291 8.580 -0.289 17842 13561 1 18 . 1 1 102 102 LYS N N 103 126.552 126.552 127.038 -0.486 17842 13562 1 18 . 1 1 102 102 LYS C C 103 174.712 174.712 174.311 0.401 17842 13563 1 18 . 1 1 102 102 LYS CA C 103 54.433 54.433 54.768 -0.335 17842 13564 1 18 . 1 1 102 102 LYS CB C 103 35.733 35.733 35.383 0.350 17842 13565 1 18 . 1 1 102 102 LYS H H 103 9.141 9.141 7.975 1.166 17842 13566 1 18 . 1 1 103 103 LEU N N 104 129.605 129.605 123.762 5.843 17842 13567 1 18 . 1 1 103 103 LEU C C 104 175.344 175.344 175.502 -0.158 17842 13568 1 18 . 1 1 103 103 LEU CA C 104 53.492 53.492 53.393 0.099 17842 13569 1 18 . 1 1 103 103 LEU CB C 104 45.004 45.004 45.160 -0.156 17842 13570 1 18 . 1 1 103 103 LEU H H 104 8.921 8.921 8.501 0.420 17842 13571 1 18 . 1 1 104 104 GLU C C 105 174.715 174.715 175.604 -0.889 17842 13572 1 18 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.478 -0.852 17842 13573 1 18 . 1 1 104 104 GLU CB C 105 33.055 33.055 32.035 1.020 17842 13574 1 18 . 1 1 105 105 GLN N N 106 121.991 121.991 119.406 2.585 17842 13575 1 18 . 1 1 105 105 GLN C C 106 175.002 175.002 174.287 0.715 17842 13576 1 18 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.586 -0.907 17842 13577 1 18 . 1 1 105 105 GLN CB C 106 30.252 30.252 30.966 -0.714 17842 13578 1 18 . 1 1 105 105 GLN H H 106 8.532 8.532 8.308 0.224 17842 13579 1 18 . 1 1 106 106 ASP N N 107 123.884 123.884 121.562 2.322 17842 13580 1 18 . 1 1 106 106 ASP C C 107 176.352 176.352 176.543 -0.191 17842 13581 1 18 . 1 1 106 106 ASP CA C 107 54.108 54.108 53.859 0.249 17842 13582 1 18 . 1 1 106 106 ASP CB C 107 41.448 41.448 40.530 0.918 17842 13583 1 18 . 1 1 106 106 ASP H H 107 8.414 8.414 8.489 -0.075 17842 13584 1 18 . 1 1 107 107 GLY N N 108 110.294 110.294 110.546 -0.252 17842 13585 1 18 . 1 1 107 107 GLY C C 108 174.111 174.111 173.727 0.384 17842 13586 1 18 . 1 1 107 107 GLY CA C 108 44.992 44.992 44.590 0.402 17842 13587 1 18 . 1 1 107 107 GLY H H 108 8.226 8.226 8.137 0.089 17842 13588 1 18 . 1 1 108 108 LYS N N 109 121.045 121.045 121.049 -0.004 17842 13589 1 18 . 1 1 108 108 LYS C C 109 176.988 176.988 176.006 0.982 17842 13590 1 18 . 1 1 108 108 LYS CA C 109 56.243 56.243 55.553 0.690 17842 13591 1 18 . 1 1 108 108 LYS CB C 109 31.957 31.957 33.106 -1.149 17842 13592 1 18 . 1 1 108 108 LYS H H 109 8.130 8.130 8.364 -0.234 17842 13593 1 18 . 1 1 109 109 GLY N N 110 109.975 109.975 111.722 -1.747 17842 13594 1 18 . 1 1 109 109 GLY C C 110 173.856 173.856 174.311 -0.455 17842 13595 1 18 . 1 1 109 109 GLY CA C 110 44.969 44.969 45.684 -0.715 17842 13596 1 18 . 1 1 109 109 GLY H H 110 8.313 8.313 8.845 -0.532 17842 13597 1 18 . 1 1 110 110 PHE N N 111 119.873 119.873 121.640 -1.767 17842 13598 1 18 . 1 1 110 110 PHE C C 111 175.195 175.195 176.080 -0.885 17842 13599 1 18 . 1 1 110 110 PHE CA C 111 57.334 57.334 57.348 -0.014 17842 13600 1 18 . 1 1 110 110 PHE CB C 111 39.311 39.311 40.372 -1.061 17842 13601 1 18 . 1 1 110 110 PHE H H 111 7.848 7.848 8.234 -0.386 17842 13602 1 18 . 1 1 111 111 LYS N N 112 122.900 122.900 122.677 0.223 17842 13603 1 18 . 1 1 111 111 LYS C C 112 175.898 175.898 176.603 -0.705 17842 13604 1 18 . 1 1 111 111 LYS CA C 112 55.928 55.928 56.200 -0.272 17842 13605 1 18 . 1 1 111 111 LYS CB C 112 32.741 32.741 33.094 -0.353 17842 13606 1 18 . 1 1 111 111 LYS H H 112 8.073 8.073 8.377 -0.304 17842 13607 1 18 . 1 1 112 112 ARG N N 113 123.302 123.302 121.471 1.831 17842 13608 1 18 . 1 1 112 112 ARG C C 113 175.762 175.762 175.812 -0.050 17842 13609 1 18 . 1 1 112 112 ARG CA C 113 55.877 55.877 57.710 -1.833 17842 13610 1 18 . 1 1 112 112 ARG CB C 113 30.678 30.678 30.233 0.445 17842 13611 1 18 . 1 1 112 112 ARG H H 113 8.277 8.277 8.561 -0.284 17842 13612 1 18 . 1 1 113 113 ASP N N 114 122.193 122.193 122.074 0.119 17842 13613 1 18 . 1 1 113 113 ASP C C 114 175.875 175.875 176.162 -0.287 17842 13614 1 18 . 1 1 113 113 ASP CA C 114 54.219 54.219 54.417 -0.198 17842 13615 1 18 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.739 -0.460 17842 13616 1 18 . 1 1 113 113 ASP H H 114 8.300 8.300 8.815 -0.515 17842 13617 1 18 . 1 1 114 114 SER N N 115 114.844 114.844 115.616 -0.772 17842 13618 1 18 . 1 1 114 114 SER C C 115 173.567 173.567 174.686 -1.119 17842 13619 1 18 . 1 1 114 114 SER CA C 115 57.538 57.538 57.974 -0.436 17842 13620 1 18 . 1 1 114 114 SER CB C 115 64.306 64.306 63.941 0.365 17842 13621 1 18 . 1 1 114 114 SER H H 115 8.071 8.071 8.104 -0.033 17842 13622 1 18 . 1 1 115 115 ASP N N 116 122.371 122.371 117.751 4.620 17842 13623 1 18 . 1 1 115 115 ASP C C 116 175.096 175.096 174.068 1.028 17842 13624 1 18 . 1 1 115 115 ASP CA C 116 53.960 53.960 55.547 -1.587 17842 13625 1 18 . 1 1 115 115 ASP CB C 116 42.394 42.394 40.062 2.332 17842 13626 1 18 . 1 1 115 115 ASP H H 116 8.400 8.400 8.674 -0.274 17842 13627 1 18 . 1 1 116 116 VAL N N 117 120.462 120.462 113.627 6.835 17842 13628 1 18 . 1 1 116 116 VAL C C 117 175.349 175.349 173.925 1.424 17842 13629 1 18 . 1 1 116 116 VAL CA C 117 60.785 60.785 59.880 0.905 17842 13630 1 18 . 1 1 116 116 VAL CB C 117 33.507 33.507 32.752 0.755 17842 13631 1 18 . 1 1 116 116 VAL H H 117 8.014 8.014 7.415 0.599 17842 13632 1 18 . 1 1 117 117 GLY N N 118 112.807 112.807 112.682 0.125 17842 13633 1 18 . 1 1 117 117 GLY C C 118 172.079 172.079 172.580 -0.501 17842 13634 1 18 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.588 -1.333 17842 13635 1 18 . 1 1 117 117 GLY H H 118 8.871 8.871 7.846 1.025 17842 13636 1 18 . 1 1 118 118 TYR N N 119 117.704 117.704 122.431 -4.727 17842 13637 1 18 . 1 1 118 118 TYR C C 119 175.024 175.024 174.843 0.181 17842 13638 1 18 . 1 1 118 118 TYR CA C 119 55.968 55.968 58.160 -2.192 17842 13639 1 18 . 1 1 118 118 TYR CB C 119 41.089 41.089 39.061 2.028 17842 13640 1 18 . 1 1 118 118 TYR H H 119 8.406 8.406 8.499 -0.093 17842 13641 1 18 . 1 1 119 119 ALA N N 120 122.050 122.050 126.268 -4.218 17842 13642 1 18 . 1 1 119 119 ALA C C 120 175.218 175.218 175.680 -0.462 17842 13643 1 18 . 1 1 119 119 ALA CA C 120 49.661 49.661 50.837 -1.176 17842 13644 1 18 . 1 1 119 119 ALA CB C 120 23.187 23.187 20.328 2.859 17842 13645 1 18 . 1 1 119 119 ALA H H 120 8.605 8.605 8.249 0.356 17842 13646 1 18 . 1 1 120 120 ALA N N 121 119.839 119.839 125.861 -6.022 17842 13647 1 18 . 1 1 120 120 ALA C C 121 175.881 175.881 175.613 0.268 17842 13648 1 18 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.295 -1.955 17842 13649 1 18 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.655 0.810 17842 13650 1 18 . 1 1 120 120 ALA H H 121 8.476 8.476 7.988 0.488 17842 13651 1 18 . 1 1 121 121 GLY N N 122 107.807 107.807 108.535 -0.728 17842 13652 1 18 . 1 1 121 121 GLY C C 122 171.191 171.191 172.012 -0.821 17842 13653 1 18 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.381 0.684 17842 13654 1 18 . 1 1 121 121 GLY H H 122 8.931 8.931 8.145 0.786 17842 13655 1 18 . 1 1 122 122 LEU N N 123 118.400 118.400 119.328 -0.928 17842 13656 1 18 . 1 1 122 122 LEU C C 123 174.684 174.684 174.718 -0.034 17842 13657 1 18 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.873 -1.646 17842 13658 1 18 . 1 1 122 122 LEU CB C 123 48.385 48.385 47.309 1.076 17842 13659 1 18 . 1 1 122 122 LEU H H 123 8.351 8.351 7.964 0.387 17842 13660 1 18 . 1 1 123 123 GLN N N 124 113.455 113.455 118.599 -5.144 17842 13661 1 18 . 1 1 123 123 GLN C C 124 173.895 173.895 173.773 0.122 17842 13662 1 18 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.754 -0.750 17842 13663 1 18 . 1 1 123 123 GLN CB C 124 28.135 28.135 34.080 -5.945 17842 13664 1 18 . 1 1 123 123 GLN H H 124 8.159 8.159 8.239 -0.080 17842 13665 1 18 . 1 1 124 124 ALA N N 125 118.711 118.711 122.886 -4.175 17842 13666 1 18 . 1 1 124 124 ALA C C 125 174.962 174.962 174.806 0.156 17842 13667 1 18 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.658 -1.862 17842 13668 1 18 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.237 0.769 17842 13669 1 18 . 1 1 124 124 ALA H H 125 8.638 8.638 8.579 0.059 17842 13670 1 18 . 1 1 125 125 GLY N N 126 103.783 103.783 107.325 -3.542 17842 13671 1 18 . 1 1 125 125 GLY C C 126 170.390 170.390 170.956 -0.566 17842 13672 1 18 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.417 0.993 17842 13673 1 18 . 1 1 125 125 GLY H H 126 7.103 7.103 7.664 -0.561 17842 13674 1 18 . 1 1 126 126 ILE N N 127 118.306 118.306 114.855 3.451 17842 13675 1 18 . 1 1 126 126 ILE C C 127 172.353 172.353 173.895 -1.542 17842 13676 1 18 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.146 -1.553 17842 13677 1 18 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.032 1.132 17842 13678 1 18 . 1 1 126 126 ILE H H 127 8.564 8.564 7.484 1.080 17842 13679 1 18 . 1 1 127 127 LEU N N 128 129.339 129.339 129.068 0.271 17842 13680 1 18 . 1 1 127 127 LEU C C 128 173.613 173.613 175.539 -1.926 17842 13681 1 18 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.195 -0.667 17842 13682 1 18 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.870 2.934 17842 13683 1 18 . 1 1 127 127 LEU H H 128 9.236 9.236 8.400 0.836 17842 13684 1 18 . 1 1 128 128 GLN N N 129 126.801 126.801 125.372 1.429 17842 13685 1 18 . 1 1 128 128 GLN C C 129 175.093 175.093 174.857 0.236 17842 13686 1 18 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.576 -1.382 17842 13687 1 18 . 1 1 128 128 GLN CB C 129 30.947 30.947 31.313 -0.366 17842 13688 1 18 . 1 1 128 128 GLN H H 129 9.352 9.352 9.191 0.161 17842 13689 1 18 . 1 1 129 129 GLU N N 130 126.822 126.822 121.157 5.665 17842 13690 1 18 . 1 1 129 129 GLU C C 130 176.651 176.651 175.461 1.190 17842 13691 1 18 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.102 1.079 17842 13692 1 18 . 1 1 129 129 GLU CB C 130 27.761 27.761 32.038 -4.277 17842 13693 1 18 . 1 1 129 129 GLU H H 130 8.518 8.518 8.638 -0.120 17842 13694 1 18 . 1 1 130 130 LEU N N 131 126.031 126.031 125.704 0.327 17842 13695 1 18 . 1 1 130 130 LEU C C 131 176.044 176.044 177.266 -1.222 17842 13696 1 18 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.657 -0.482 17842 13697 1 18 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.706 0.149 17842 13698 1 18 . 1 1 130 130 LEU H H 131 8.708 8.708 8.655 0.053 17842 13699 1 18 . 1 1 131 131 SER N N 132 113.049 113.049 110.854 2.195 17842 13700 1 18 . 1 1 131 131 SER C C 132 174.092 174.092 173.190 0.902 17842 13701 1 18 . 1 1 131 131 SER CA C 132 55.993 55.993 57.990 -1.998 17842 13702 1 18 . 1 1 131 131 SER CB C 132 64.945 64.945 64.137 0.808 17842 13703 1 18 . 1 1 131 131 SER H H 132 8.282 8.282 7.979 0.303 17842 13704 1 18 . 1 1 132 132 LYS C C 133 176.346 176.346 175.287 1.059 17842 13705 1 18 . 1 1 132 132 LYS CA C 133 58.497 58.497 57.452 1.045 17842 13706 1 18 . 1 1 132 132 LYS CB C 133 31.009 31.009 30.808 0.201 17842 13707 1 18 . 1 1 133 133 ASN N N 134 110.795 110.795 118.513 -7.718 17842 13708 1 18 . 1 1 133 133 ASN C C 134 173.897 173.897 174.065 -0.168 17842 13709 1 18 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.614 -0.036 17842 13710 1 18 . 1 1 133 133 ASN CB C 134 40.830 40.830 40.893 -0.063 17842 13711 1 18 . 1 1 133 133 ASN H H 134 7.761 7.761 8.511 -0.750 17842 13712 1 18 . 1 1 134 134 ALA N N 135 122.181 122.181 121.241 0.940 17842 13713 1 18 . 1 1 134 134 ALA C C 135 176.250 176.250 174.891 1.359 17842 13714 1 18 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.763 -0.606 17842 13715 1 18 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.497 0.636 17842 13716 1 18 . 1 1 134 134 ALA H H 135 7.562 7.562 7.959 -0.397 17842 13717 1 18 . 1 1 135 135 SER N N 136 114.617 114.617 113.993 0.624 17842 13718 1 18 . 1 1 135 135 SER C C 136 172.507 172.507 172.972 -0.465 17842 13719 1 18 . 1 1 135 135 SER CA C 136 56.164 56.164 57.060 -0.896 17842 13720 1 18 . 1 1 135 135 SER CB C 136 66.255 66.255 66.176 0.079 17842 13721 1 18 . 1 1 135 135 SER H H 136 8.717 8.717 8.052 0.665 17842 13722 1 18 . 1 1 136 136 ILE N N 137 114.495 114.495 120.649 -6.154 17842 13723 1 18 . 1 1 136 136 ILE C C 137 173.136 173.136 174.051 -0.915 17842 13724 1 18 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.306 -1.886 17842 13725 1 18 . 1 1 136 136 ILE CB C 137 42.700 42.700 41.513 1.187 17842 13726 1 18 . 1 1 136 136 ILE H H 137 8.592 8.592 9.083 -0.491 17842 13727 1 18 . 1 1 137 137 GLU N N 138 122.016 122.016 124.752 -2.736 17842 13728 1 18 . 1 1 137 137 GLU C C 138 173.792 173.792 175.576 -1.784 17842 13729 1 18 . 1 1 137 137 GLU CA C 138 53.537 53.537 53.527 0.010 17842 13730 1 18 . 1 1 137 137 GLU CB C 138 35.118 35.118 33.689 1.429 17842 13731 1 18 . 1 1 137 137 GLU H H 138 8.902 8.902 8.751 0.151 17842 13732 1 18 . 1 1 138 138 GLY N N 139 107.847 107.847 107.216 0.631 17842 13733 1 18 . 1 1 138 138 GLY C C 139 171.817 171.817 172.828 -1.011 17842 13734 1 18 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.131 -1.061 17842 13735 1 18 . 1 1 138 138 GLY H H 139 8.485 8.485 8.198 0.287 17842 13736 1 18 . 1 1 139 139 GLY N N 140 108.290 108.290 111.100 -2.810 17842 13737 1 18 . 1 1 139 139 GLY C C 140 169.172 169.172 171.621 -2.449 17842 13738 1 18 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.359 0.355 17842 13739 1 18 . 1 1 139 139 GLY H H 140 7.841 7.841 8.751 -0.910 17842 13740 1 18 . 1 1 140 140 TYR N N 141 119.674 119.674 117.016 2.658 17842 13741 1 18 . 1 1 140 140 TYR C C 141 173.643 173.643 174.020 -0.377 17842 13742 1 18 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.505 -1.326 17842 13743 1 18 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.045 0.099 17842 13744 1 18 . 1 1 140 140 TYR H H 141 8.726 8.726 8.754 -0.028 17842 13745 1 18 . 1 1 141 141 ARG N N 142 125.021 125.021 118.764 6.257 17842 13746 1 18 . 1 1 141 141 ARG C C 142 173.533 173.533 173.675 -0.142 17842 13747 1 18 . 1 1 141 141 ARG CA C 142 53.813 53.813 54.478 -0.665 17842 13748 1 18 . 1 1 141 141 ARG CB C 142 33.239 33.239 35.435 -2.196 17842 13749 1 18 . 1 1 141 141 ARG H H 142 8.502 8.502 8.338 0.164 17842 13750 1 18 . 1 1 142 142 TYR N N 143 128.805 128.805 121.057 7.748 17842 13751 1 18 . 1 1 142 142 TYR C C 143 173.475 173.475 175.134 -1.659 17842 13752 1 18 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.653 -0.225 17842 13753 1 18 . 1 1 142 142 TYR CB C 143 41.642 41.642 41.246 0.396 17842 13754 1 18 . 1 1 142 142 TYR H H 143 8.978 8.978 9.256 -0.278 17842 13755 1 18 . 1 1 143 143 LEU N N 144 125.513 125.513 123.285 2.228 17842 13756 1 18 . 1 1 143 143 LEU C C 144 175.370 175.370 174.900 0.470 17842 13757 1 18 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.438 -1.545 17842 13758 1 18 . 1 1 143 143 LEU CB C 144 45.924 45.924 44.125 1.799 17842 13759 1 18 . 1 1 143 143 LEU H H 144 8.117 8.117 8.909 -0.792 17842 13760 1 18 . 1 1 144 144 ARG N N 145 122.193 122.193 125.085 -2.892 17842 13761 1 18 . 1 1 144 144 ARG C C 145 175.452 175.452 174.333 1.119 17842 13762 1 18 . 1 1 144 144 ARG CA C 145 54.077 54.077 55.884 -1.807 17842 13763 1 18 . 1 1 144 144 ARG CB C 145 31.377 31.377 33.278 -1.901 17842 13764 1 18 . 1 1 144 144 ARG H H 145 8.810 8.810 8.230 0.580 17842 13765 1 18 . 1 1 145 145 THR C C 146 172.708 172.708 174.086 -1.378 17842 13766 1 18 . 1 1 145 145 THR CA C 146 59.117 59.117 60.328 -1.211 17842 13767 1 18 . 1 1 145 145 THR CB C 146 70.345 70.345 70.517 -0.172 17842 13768 1 18 . 1 1 146 146 ASN N N 147 120.236 120.236 125.207 -4.971 17842 13769 1 18 . 1 1 146 146 ASN C C 147 175.341 175.341 173.716 1.625 17842 13770 1 18 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.456 -1.576 17842 13771 1 18 . 1 1 146 146 ASN CB C 147 38.462 38.462 41.380 -2.918 17842 13772 1 18 . 1 1 146 146 ASN H H 147 8.259 8.259 8.214 0.045 17842 13773 1 18 . 1 1 147 147 ALA N N 148 124.724 124.724 123.323 1.401 17842 13774 1 18 . 1 1 147 147 ALA C C 148 176.378 176.378 177.592 -1.214 17842 13775 1 18 . 1 1 147 147 ALA CA C 148 52.179 52.179 51.508 0.671 17842 13776 1 18 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.885 -1.259 17842 13777 1 18 . 1 1 147 147 ALA H H 148 8.256 8.256 8.404 -0.148 17842 13778 1 18 . 1 1 148 148 SER N N 149 115.670 115.670 113.428 2.242 17842 13779 1 18 . 1 1 148 148 SER C C 149 174.123 174.123 173.355 0.768 17842 13780 1 18 . 1 1 148 148 SER CA C 149 57.281 57.281 58.329 -1.048 17842 13781 1 18 . 1 1 148 148 SER CB C 149 64.685 64.685 62.569 2.116 17842 13782 1 18 . 1 1 148 148 SER H H 149 8.372 8.372 8.831 -0.459 17842 13783 1 18 . 1 1 149 149 THR N N 150 115.292 115.292 110.583 4.709 17842 13784 1 18 . 1 1 149 149 THR C C 150 173.858 173.858 174.143 -0.285 17842 13785 1 18 . 1 1 149 149 THR CA C 150 61.189 61.189 63.285 -2.096 17842 13786 1 18 . 1 1 149 149 THR CB C 150 69.105 69.105 68.822 0.283 17842 13787 1 18 . 1 1 149 149 THR H H 150 8.228 8.228 7.850 0.378 17842 13788 1 18 . 1 1 150 150 GLU N N 151 123.244 123.244 121.339 1.905 17842 13789 1 18 . 1 1 150 150 GLU C C 151 176.121 176.121 175.918 0.203 17842 13790 1 18 . 1 1 150 150 GLU CA C 151 56.002 56.002 55.952 0.050 17842 13791 1 18 . 1 1 150 150 GLU CB C 151 29.931 29.931 28.197 1.734 17842 13792 1 18 . 1 1 150 150 GLU H H 151 8.186 8.186 8.522 -0.336 17842 13793 1 18 . 1 1 151 151 MET N N 152 121.600 121.600 122.164 -0.564 17842 13794 1 18 . 1 1 151 151 MET C C 152 175.810 175.810 176.808 -0.998 17842 13795 1 18 . 1 1 151 151 MET CA C 152 55.254 55.254 57.897 -2.643 17842 13796 1 18 . 1 1 151 151 MET CB C 152 33.247 33.247 32.998 0.249 17842 13797 1 18 . 1 1 151 151 MET H H 152 8.248 8.248 7.768 0.480 17842 13798 1 18 . 1 1 152 152 THR N N 153 117.486 117.486 116.440 1.046 17842 13799 1 18 . 1 1 152 152 THR C C 153 172.907 172.907 172.733 0.174 17842 13800 1 18 . 1 1 152 152 THR CA C 153 59.365 59.365 58.948 0.417 17842 13801 1 18 . 1 1 152 152 THR CB C 153 69.366 69.366 69.344 0.022 17842 13802 1 18 . 1 1 152 152 THR H H 153 8.113 8.113 7.939 0.174 17842 13803 1 18 . 1 1 155 155 GLY C C 156 174.620 174.620 174.718 -0.098 17842 13804 1 18 . 1 1 155 155 GLY CA C 156 45.280 45.280 44.782 0.498 17842 13805 1 18 . 1 1 156 156 GLY N N 157 109.059 109.059 110.050 -0.991 17842 13806 1 18 . 1 1 156 156 GLY C C 157 173.801 173.801 174.811 -1.010 17842 13807 1 18 . 1 1 156 156 GLY CA C 157 44.929 44.929 46.392 -1.463 17842 13808 1 18 . 1 1 156 156 GLY H H 157 8.175 8.175 8.301 -0.126 17842 13809 1 18 . 1 1 157 157 ASN N N 158 118.630 118.630 117.961 0.669 17842 13810 1 18 . 1 1 157 157 ASN C C 158 175.025 175.025 175.571 -0.546 17842 13811 1 18 . 1 1 157 157 ASN CA C 158 52.791 52.791 53.053 -0.262 17842 13812 1 18 . 1 1 157 157 ASN CB C 158 38.532 38.532 40.113 -1.581 17842 13813 1 18 . 1 1 157 157 ASN H H 158 8.114 8.114 8.400 -0.286 17842 13814 1 18 . 1 1 158 158 LYS N N 159 121.755 121.755 121.274 0.481 17842 13815 1 18 . 1 1 158 158 LYS C C 159 176.361 176.361 175.112 1.249 17842 13816 1 18 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.266 0.206 17842 13817 1 18 . 1 1 158 158 LYS CB C 159 32.403 32.403 33.326 -0.923 17842 13818 1 18 . 1 1 158 158 LYS H H 159 8.169 8.169 7.894 0.275 17842 13819 1 18 . 1 1 159 159 LEU N N 160 123.084 123.084 118.791 4.293 17842 13820 1 18 . 1 1 159 159 LEU C C 160 177.408 177.408 176.524 0.884 17842 13821 1 18 . 1 1 159 159 LEU CA C 160 55.162 55.162 55.256 -0.094 17842 13822 1 18 . 1 1 159 159 LEU CB C 160 42.690 42.690 44.147 -1.457 17842 13823 1 18 . 1 1 159 159 LEU H H 160 8.173 8.173 8.169 0.004 17842 13824 1 18 . 1 1 160 160 GLY N N 161 109.180 109.180 111.111 -1.931 17842 13825 1 18 . 1 1 160 160 GLY C C 161 173.574 173.574 173.705 -0.131 17842 13826 1 18 . 1 1 160 160 GLY CA C 161 44.877 44.877 44.992 -0.115 17842 13827 1 18 . 1 1 160 160 GLY H H 161 8.117 8.117 8.801 -0.684 17842 13828 1 18 . 1 1 161 161 SER N N 162 115.719 115.719 116.186 -0.467 17842 13829 1 18 . 1 1 161 161 SER C C 162 173.715 173.715 173.215 0.500 17842 13830 1 18 . 1 1 161 161 SER CA C 162 57.965 57.965 58.025 -0.060 17842 13831 1 18 . 1 1 161 161 SER CB C 162 63.856 63.856 65.057 -1.201 17842 13832 1 18 . 1 1 161 161 SER H H 162 8.064 8.064 8.030 0.034 17842 13833 1 18 . 1 1 162 162 LEU N N 163 123.433 123.433 124.941 -1.508 17842 13834 1 18 . 1 1 162 162 LEU C C 163 175.609 175.609 175.966 -0.357 17842 13835 1 18 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.586 -1.201 17842 13836 1 18 . 1 1 162 162 LEU CB C 163 43.046 43.046 40.218 2.828 17842 13837 1 18 . 1 1 162 162 LEU H H 163 8.282 8.282 8.726 -0.444 17842 13838 1 18 . 1 1 163 163 ASP N N 164 122.223 122.223 124.164 -1.941 17842 13839 1 18 . 1 1 163 163 ASP C C 164 175.122 175.122 175.247 -0.125 17842 13840 1 18 . 1 1 163 163 ASP CA C 164 53.400 53.400 54.792 -1.392 17842 13841 1 18 . 1 1 163 163 ASP CB C 164 41.200 41.200 42.169 -0.969 17842 13842 1 18 . 1 1 163 163 ASP H H 164 8.356 8.356 8.613 -0.257 17842 13843 1 18 . 1 1 166 166 SER C C 167 172.472 172.472 174.006 -1.534 17842 13844 1 18 . 1 1 166 166 SER CA C 167 56.760 56.760 57.080 -0.320 17842 13845 1 18 . 1 1 167 167 SER N N 168 115.939 115.939 118.041 -2.102 17842 13846 1 18 . 1 1 167 167 SER C C 168 173.318 173.318 173.522 -0.204 17842 13847 1 18 . 1 1 167 167 SER CA C 168 56.763 56.763 57.998 -1.234 17842 13848 1 18 . 1 1 167 167 SER CB C 168 65.286 65.286 64.796 0.490 17842 13849 1 18 . 1 1 167 167 SER H H 168 8.678 8.678 8.779 -0.101 17842 13850 1 18 . 1 1 168 168 SER C C 169 172.500 172.500 174.193 -1.693 17842 13851 1 18 . 1 1 168 168 SER CA C 169 56.569 56.569 57.636 -1.067 17842 13852 1 18 . 1 1 168 168 SER CB C 169 65.738 65.738 64.040 1.698 17842 13853 1 18 . 1 1 169 169 GLN N N 170 122.951 122.951 123.012 -0.061 17842 13854 1 18 . 1 1 169 169 GLN C C 170 174.697 174.697 174.654 0.043 17842 13855 1 18 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.775 -0.737 17842 13856 1 18 . 1 1 169 169 GLN CB C 170 32.383 32.383 33.315 -0.932 17842 13857 1 18 . 1 1 169 169 GLN H H 170 8.745 8.745 7.783 0.962 17842 13858 1 18 . 1 1 170 170 PHE N N 171 125.628 125.628 121.120 4.508 17842 13859 1 18 . 1 1 170 170 PHE C C 171 174.628 174.628 174.896 -0.268 17842 13860 1 18 . 1 1 170 170 PHE CA C 171 56.200 56.200 57.409 -1.209 17842 13861 1 18 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.838 -1.286 17842 13862 1 18 . 1 1 170 170 PHE H H 171 7.771 7.771 8.756 -0.985 17842 13863 1 18 . 1 1 171 171 TYR N N 172 121.558 121.558 122.650 -1.092 17842 13864 1 18 . 1 1 171 171 TYR C C 172 171.727 171.727 174.023 -2.296 17842 13865 1 18 . 1 1 171 171 TYR CA C 172 56.046 56.046 56.784 -0.738 17842 13866 1 18 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.256 0.183 17842 13867 1 18 . 1 1 171 171 TYR H H 172 8.696 8.696 9.124 -0.428 17842 13868 1 18 . 1 1 172 172 LEU N N 173 119.230 119.230 123.768 -4.538 17842 13869 1 18 . 1 1 172 172 LEU C C 173 176.352 176.352 175.108 1.244 17842 13870 1 18 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.639 -1.896 17842 13871 1 18 . 1 1 172 172 LEU CB C 173 46.537 46.537 45.156 1.381 17842 13872 1 18 . 1 1 172 172 LEU H H 173 8.971 8.971 8.279 0.692 17842 13873 1 18 . 1 1 173 173 GLY N N 174 107.248 107.248 108.788 -1.540 17842 13874 1 18 . 1 1 173 173 GLY C C 174 170.680 170.680 172.064 -1.384 17842 13875 1 18 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.050 -1.130 17842 13876 1 18 . 1 1 173 173 GLY H H 174 9.085 9.085 9.076 0.009 17842 13877 1 18 . 1 1 174 174 ALA N N 175 121.461 121.461 120.759 0.702 17842 13878 1 18 . 1 1 174 174 ALA C C 175 174.546 174.546 175.145 -0.599 17842 13879 1 18 . 1 1 174 174 ALA CA C 175 50.312 50.312 49.746 0.566 17842 13880 1 18 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.376 -0.733 17842 13881 1 18 . 1 1 174 174 ALA H H 175 8.575 8.575 8.085 0.490 17842 13882 1 18 . 1 1 175 175 ASN N N 176 117.370 117.370 116.162 1.208 17842 13883 1 18 . 1 1 175 175 ASN C C 176 173.370 173.370 172.973 0.397 17842 13884 1 18 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.318 -1.719 17842 13885 1 18 . 1 1 175 175 ASN CB C 176 41.957 41.957 41.753 0.204 17842 13886 1 18 . 1 1 175 175 ASN H H 176 8.762 8.762 8.172 0.590 17842 13887 1 18 . 1 1 176 176 TYR N N 177 122.724 122.724 124.371 -1.647 17842 13888 1 18 . 1 1 176 176 TYR C C 177 173.924 173.924 175.567 -1.643 17842 13889 1 18 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.591 -0.153 17842 13890 1 18 . 1 1 176 176 TYR CB C 177 42.401 42.401 39.595 2.806 17842 13891 1 18 . 1 1 176 176 TYR H H 177 9.570 9.570 9.053 0.517 17842 13892 1 18 . 1 1 177 177 LYS N N 178 127.067 127.067 123.516 3.551 17842 13893 1 18 . 1 1 177 177 LYS C C 178 174.336 174.336 174.873 -0.537 17842 13894 1 18 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.318 -1.075 17842 13895 1 18 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.262 0.689 17842 13896 1 18 . 1 1 177 177 LYS H H 178 8.284 8.284 8.305 -0.021 17842 13897 1 19 . 1 1 2 2 ASP N N 3 119.767 119.767 120.271 -0.504 17842 13898 1 19 . 1 1 2 2 ASP C C 3 175.809 175.809 174.884 0.925 17842 13899 1 19 . 1 1 2 2 ASP CA C 3 53.303 53.303 53.333 -0.030 17842 13900 1 19 . 1 1 2 2 ASP CB C 3 42.915 42.915 44.810 -1.895 17842 13901 1 19 . 1 1 2 2 ASP H H 3 8.443 8.443 8.459 -0.016 17842 13902 1 19 . 1 1 3 3 ASN N N 4 123.667 123.667 119.404 4.263 17842 13903 1 19 . 1 1 3 3 ASN C C 4 174.736 174.736 174.210 0.526 17842 13904 1 19 . 1 1 3 3 ASN CA C 4 52.911 52.911 53.120 -0.209 17842 13905 1 19 . 1 1 3 3 ASN CB C 4 39.160 39.160 41.643 -2.483 17842 13906 1 19 . 1 1 3 3 ASN H H 4 8.923 8.923 8.877 0.046 17842 13907 1 19 . 1 1 4 4 PHE N N 5 118.447 118.447 119.878 -1.431 17842 13908 1 19 . 1 1 4 4 PHE C C 5 172.331 172.331 172.774 -0.443 17842 13909 1 19 . 1 1 4 4 PHE CA C 5 56.052 56.052 56.076 -0.024 17842 13910 1 19 . 1 1 4 4 PHE CB C 5 42.863 42.863 42.849 0.014 17842 13911 1 19 . 1 1 4 4 PHE H H 5 8.910 8.910 9.203 -0.292 17842 13912 1 19 . 1 1 5 5 VAL N N 6 116.195 116.195 113.644 2.551 17842 13913 1 19 . 1 1 5 5 VAL C C 6 174.144 174.144 174.020 0.124 17842 13914 1 19 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.278 -1.749 17842 13915 1 19 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.111 0.707 17842 13916 1 19 . 1 1 5 5 VAL H H 6 8.903 8.903 9.235 -0.332 17842 13917 1 19 . 1 1 6 6 GLY N N 7 110.150 110.150 111.113 -0.963 17842 13918 1 19 . 1 1 6 6 GLY C C 7 170.825 170.825 171.563 -0.738 17842 13919 1 19 . 1 1 6 6 GLY CA C 7 46.218 46.218 44.859 1.359 17842 13920 1 19 . 1 1 6 6 GLY H H 7 8.670 8.670 8.780 -0.110 17842 13921 1 19 . 1 1 7 7 LEU N N 8 120.059 120.059 120.063 -0.004 17842 13922 1 19 . 1 1 7 7 LEU C C 8 175.596 175.596 175.582 0.014 17842 13923 1 19 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.153 -1.220 17842 13924 1 19 . 1 1 7 7 LEU CB C 8 47.663 47.663 47.112 0.551 17842 13925 1 19 . 1 1 7 7 LEU H H 8 8.562 8.562 7.969 0.593 17842 13926 1 19 . 1 1 8 8 THR N N 9 112.180 112.180 112.589 -0.409 17842 13927 1 19 . 1 1 8 8 THR C C 9 172.942 172.942 173.046 -0.104 17842 13928 1 19 . 1 1 8 8 THR CA C 9 59.539 59.539 61.264 -1.725 17842 13929 1 19 . 1 1 8 8 THR CB C 9 70.735 70.735 71.769 -1.034 17842 13930 1 19 . 1 1 8 8 THR H H 9 9.114 9.114 8.584 0.530 17842 13931 1 19 . 1 1 9 9 TRP N N 10 121.476 121.476 124.772 -3.296 17842 13932 1 19 . 1 1 9 9 TRP C C 10 174.622 174.622 174.311 0.311 17842 13933 1 19 . 1 1 9 9 TRP CA C 10 56.418 56.418 57.163 -0.745 17842 13934 1 19 . 1 1 9 9 TRP CB C 10 31.877 31.877 33.684 -1.807 17842 13935 1 19 . 1 1 9 9 TRP H H 10 9.022 9.022 8.634 0.388 17842 13936 1 19 . 1 1 10 10 GLY N N 11 112.750 112.750 113.713 -0.963 17842 13937 1 19 . 1 1 10 10 GLY C C 11 171.655 171.655 172.103 -0.448 17842 13938 1 19 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.801 1.139 17842 13939 1 19 . 1 1 10 10 GLY H H 11 7.798 7.798 8.155 -0.357 17842 13940 1 19 . 1 1 11 11 GLU N N 12 117.292 117.292 122.945 -5.653 17842 13941 1 19 . 1 1 11 11 GLU C C 12 175.810 175.810 175.958 -0.148 17842 13942 1 19 . 1 1 11 11 GLU CA C 12 53.743 53.743 56.085 -2.342 17842 13943 1 19 . 1 1 11 11 GLU CB C 12 31.361 31.361 31.178 0.183 17842 13944 1 19 . 1 1 11 11 GLU H H 12 8.223 8.223 8.957 -0.734 17842 13945 1 19 . 1 1 12 12 THR N N 13 123.477 123.477 123.365 0.112 17842 13946 1 19 . 1 1 12 12 THR C C 13 174.233 174.233 173.956 0.277 17842 13947 1 19 . 1 1 12 12 THR CA C 13 61.872 61.872 62.873 -1.001 17842 13948 1 19 . 1 1 12 12 THR CB C 13 69.374 69.374 69.575 -0.201 17842 13949 1 19 . 1 1 12 12 THR H H 13 8.722 8.722 8.174 0.548 17842 13950 1 19 . 1 1 13 13 SER N N 14 122.220 122.220 121.517 0.703 17842 13951 1 19 . 1 1 13 13 SER C C 14 173.577 173.577 174.035 -0.458 17842 13952 1 19 . 1 1 13 13 SER CA C 14 56.934 56.934 57.509 -0.575 17842 13953 1 19 . 1 1 13 13 SER CB C 14 64.249 64.249 64.063 0.186 17842 13954 1 19 . 1 1 13 13 SER H H 14 9.225 9.225 8.683 0.542 17842 13955 1 19 . 1 1 14 14 ASN N N 15 125.159 125.159 123.877 1.282 17842 13956 1 19 . 1 1 14 14 ASN C C 15 174.673 174.673 175.008 -0.335 17842 13957 1 19 . 1 1 14 14 ASN CA C 15 51.888 51.888 54.705 -2.817 17842 13958 1 19 . 1 1 14 14 ASN CB C 15 39.777 39.777 38.900 0.877 17842 13959 1 19 . 1 1 14 14 ASN H H 15 8.745 8.745 8.713 0.032 17842 13960 1 19 . 1 1 15 15 ASN N N 16 120.330 120.330 119.511 0.819 17842 13961 1 19 . 1 1 15 15 ASN C C 16 175.886 175.886 174.313 1.573 17842 13962 1 19 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.690 -0.910 17842 13963 1 19 . 1 1 15 15 ASN CB C 16 38.595 38.595 37.706 0.889 17842 13964 1 19 . 1 1 15 15 ASN H H 16 8.494 8.494 8.259 0.235 17842 13965 1 19 . 1 1 20 20 LYS C C 21 176.705 176.705 174.988 1.717 17842 13966 1 19 . 1 1 20 20 LYS CA C 21 56.683 56.683 55.231 1.452 17842 13967 1 19 . 1 1 21 21 SER N N 22 115.966 115.966 116.712 -0.746 17842 13968 1 19 . 1 1 21 21 SER C C 22 174.564 174.564 174.504 0.060 17842 13969 1 19 . 1 1 21 21 SER CA C 22 58.149 58.149 57.530 0.619 17842 13970 1 19 . 1 1 21 21 SER CB C 22 63.308 63.308 63.300 0.008 17842 13971 1 19 . 1 1 21 21 SER H H 22 8.053 8.053 8.445 -0.392 17842 13972 1 19 . 1 1 22 22 LEU N N 23 123.751 123.751 127.072 -3.321 17842 13973 1 19 . 1 1 22 22 LEU C C 23 176.968 176.968 176.639 0.329 17842 13974 1 19 . 1 1 22 22 LEU CA C 23 55.269 55.269 54.651 0.618 17842 13975 1 19 . 1 1 22 22 LEU CB C 23 42.334 42.334 42.754 -0.420 17842 13976 1 19 . 1 1 22 22 LEU H H 23 8.006 8.006 8.483 -0.477 17842 13977 1 19 . 1 1 23 23 ASN N N 24 118.937 118.937 121.663 -2.726 17842 13978 1 19 . 1 1 23 23 ASN C C 24 175.119 175.119 175.785 -0.666 17842 13979 1 19 . 1 1 23 23 ASN CA C 24 52.993 52.993 53.392 -0.399 17842 13980 1 19 . 1 1 23 23 ASN CB C 24 38.255 38.255 39.489 -1.234 17842 13981 1 19 . 1 1 23 23 ASN H H 24 8.136 8.136 8.591 -0.455 17842 13982 1 19 . 1 1 24 24 ARG N N 25 121.500 121.500 123.245 -1.745 17842 13983 1 19 . 1 1 24 24 ARG C C 25 175.849 175.849 176.131 -0.282 17842 13984 1 19 . 1 1 24 24 ARG CA C 25 56.368 56.368 55.812 0.556 17842 13985 1 19 . 1 1 24 24 ARG CB C 25 30.366 30.366 29.435 0.931 17842 13986 1 19 . 1 1 24 24 ARG H H 25 8.097 8.097 8.557 -0.460 17842 13987 1 19 . 1 1 25 25 ASN N N 26 119.196 119.196 121.001 -1.805 17842 13988 1 19 . 1 1 25 25 ASN C C 26 175.122 175.122 174.486 0.636 17842 13989 1 19 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.321 -0.260 17842 13990 1 19 . 1 1 25 25 ASN CB C 26 38.291 38.291 39.454 -1.163 17842 13991 1 19 . 1 1 25 25 ASN H H 26 8.278 8.278 8.138 0.140 17842 13992 1 19 . 1 1 26 26 LEU N N 27 122.352 122.352 122.480 -0.128 17842 13993 1 19 . 1 1 26 26 LEU C C 27 176.903 176.903 175.879 1.024 17842 13994 1 19 . 1 1 26 26 LEU CA C 27 55.326 55.326 54.818 0.508 17842 13995 1 19 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.353 -0.167 17842 13996 1 19 . 1 1 26 26 LEU H H 27 7.992 7.992 8.580 -0.588 17842 13997 1 19 . 1 1 27 27 ASN N N 28 118.444 118.444 122.167 -3.723 17842 13998 1 19 . 1 1 27 27 ASN C C 28 174.754 174.754 175.652 -0.898 17842 13999 1 19 . 1 1 27 27 ASN CA C 28 52.960 52.960 54.354 -1.394 17842 14000 1 19 . 1 1 27 27 ASN CB C 28 38.419 38.419 39.594 -1.175 17842 14001 1 19 . 1 1 27 27 ASN H H 28 8.216 8.216 8.960 -0.744 17842 14002 1 19 . 1 1 28 28 SER N N 29 116.471 116.471 112.204 4.267 17842 14003 1 19 . 1 1 28 28 SER C C 29 172.778 172.778 172.607 0.171 17842 14004 1 19 . 1 1 28 28 SER CA C 29 55.982 55.982 58.316 -2.334 17842 14005 1 19 . 1 1 28 28 SER CB C 29 63.179 63.179 62.730 0.449 17842 14006 1 19 . 1 1 28 28 SER H H 29 7.833 7.833 8.200 -0.367 17842 14007 1 19 . 1 1 29 29 PRO C C 30 176.535 176.535 175.693 0.842 17842 14008 1 19 . 1 1 29 29 PRO CA C 30 63.458 63.458 63.375 0.083 17842 14009 1 19 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.271 -0.599 17842 14010 1 19 . 1 1 30 30 ASN N N 31 118.189 118.189 114.314 3.875 17842 14011 1 19 . 1 1 30 30 ASN C C 31 175.075 175.075 174.465 0.610 17842 14012 1 19 . 1 1 30 30 ASN CA C 31 53.051 53.051 53.546 -0.495 17842 14013 1 19 . 1 1 30 30 ASN CB C 31 38.277 38.277 39.855 -1.578 17842 14014 1 19 . 1 1 30 30 ASN H H 31 8.231 8.231 8.300 -0.069 17842 14015 1 19 . 1 1 31 31 LEU N N 32 122.838 122.838 125.441 -2.603 17842 14016 1 19 . 1 1 31 31 LEU C C 32 176.800 176.800 175.999 0.801 17842 14017 1 19 . 1 1 31 31 LEU CA C 32 55.107 55.107 55.520 -0.413 17842 14018 1 19 . 1 1 31 31 LEU CB C 32 42.291 42.291 41.118 1.173 17842 14019 1 19 . 1 1 31 31 LEU H H 32 8.011 8.011 8.783 -0.772 17842 14020 1 19 . 1 1 32 32 ASP N N 33 120.740 120.740 121.098 -0.358 17842 14021 1 19 . 1 1 32 32 ASP C C 33 175.863 175.863 176.892 -1.029 17842 14022 1 19 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.841 -0.510 17842 14023 1 19 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.375 -0.617 17842 14024 1 19 . 1 1 32 32 ASP H H 33 8.151 8.151 8.341 -0.190 17842 14025 1 19 . 1 1 33 33 LYS N N 34 120.746 120.746 119.866 0.880 17842 14026 1 19 . 1 1 33 33 LYS C C 34 175.912 175.912 177.122 -1.210 17842 14027 1 19 . 1 1 33 33 LYS CA C 34 55.865 55.865 57.479 -1.614 17842 14028 1 19 . 1 1 33 33 LYS CB C 34 32.738 32.738 34.392 -1.654 17842 14029 1 19 . 1 1 33 33 LYS H H 34 7.933 7.933 8.166 -0.233 17842 14030 1 19 . 1 1 34 34 VAL N N 35 121.590 121.590 119.018 2.572 17842 14031 1 19 . 1 1 34 34 VAL C C 35 175.691 175.691 175.844 -0.153 17842 14032 1 19 . 1 1 34 34 VAL CA C 35 62.186 62.186 63.460 -1.274 17842 14033 1 19 . 1 1 34 34 VAL CB C 35 32.591 32.591 30.167 2.424 17842 14034 1 19 . 1 1 34 34 VAL H H 35 7.995 7.995 8.256 -0.261 17842 14035 1 19 . 1 1 35 35 ILE N N 36 124.025 124.025 125.319 -1.294 17842 14036 1 19 . 1 1 35 35 ILE C C 36 175.266 175.266 176.799 -1.533 17842 14037 1 19 . 1 1 35 35 ILE CA C 36 60.495 60.495 63.410 -2.915 17842 14038 1 19 . 1 1 35 35 ILE CB C 36 38.489 38.489 38.483 0.006 17842 14039 1 19 . 1 1 35 35 ILE H H 36 8.034 8.034 8.487 -0.453 17842 14040 1 19 . 1 1 36 36 ASP N N 37 125.860 125.860 119.730 6.130 17842 14041 1 19 . 1 1 36 36 ASP C C 37 175.014 175.014 176.052 -1.038 17842 14042 1 19 . 1 1 36 36 ASP CA C 37 53.719 53.719 54.613 -0.894 17842 14043 1 19 . 1 1 36 36 ASP CB C 37 41.755 41.755 41.929 -0.174 17842 14044 1 19 . 1 1 36 36 ASP H H 37 8.190 8.190 8.446 -0.256 17842 14045 1 19 . 1 1 37 37 ASN N N 38 120.770 120.770 118.052 2.718 17842 14046 1 19 . 1 1 37 37 ASN C C 38 174.821 174.821 173.555 1.266 17842 14047 1 19 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.565 -0.407 17842 14048 1 19 . 1 1 37 37 ASN CB C 38 38.663 38.663 39.831 -1.168 17842 14049 1 19 . 1 1 37 37 ASN H H 38 8.334 8.334 8.353 -0.019 17842 14050 1 19 . 1 1 38 38 THR N N 39 115.976 115.976 116.883 -0.907 17842 14051 1 19 . 1 1 38 38 THR C C 39 175.226 175.226 172.431 2.795 17842 14052 1 19 . 1 1 38 38 THR CA C 39 62.215 62.215 62.526 -0.311 17842 14053 1 19 . 1 1 38 38 THR CB C 39 69.618 69.618 69.612 0.006 17842 14054 1 19 . 1 1 38 38 THR H H 39 8.508 8.508 8.353 0.155 17842 14055 1 19 . 1 1 39 39 GLY N N 40 115.818 115.818 114.347 1.471 17842 14056 1 19 . 1 1 39 39 GLY C C 40 172.862 172.862 172.314 0.548 17842 14057 1 19 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.719 0.449 17842 14058 1 19 . 1 1 39 39 GLY H H 40 8.819 8.819 8.482 0.337 17842 14059 1 19 . 1 1 40 40 THR N N 41 119.787 119.787 111.598 8.189 17842 14060 1 19 . 1 1 40 40 THR C C 41 172.914 172.914 172.750 0.164 17842 14061 1 19 . 1 1 40 40 THR CA C 41 61.321 61.321 60.557 0.764 17842 14062 1 19 . 1 1 40 40 THR CB C 41 71.499 71.499 71.585 -0.086 17842 14063 1 19 . 1 1 40 40 THR H H 41 8.117 8.117 8.275 -0.159 17842 14064 1 19 . 1 1 41 41 TRP N N 42 128.090 128.090 119.837 8.253 17842 14065 1 19 . 1 1 41 41 TRP C C 42 174.627 174.627 173.891 0.736 17842 14066 1 19 . 1 1 41 41 TRP CA C 42 55.122 55.122 55.413 -0.290 17842 14067 1 19 . 1 1 41 41 TRP CB C 42 31.905 31.905 30.943 0.962 17842 14068 1 19 . 1 1 41 41 TRP H H 42 8.178 8.178 8.084 0.094 17842 14069 1 19 . 1 1 42 42 GLY N N 43 109.883 109.883 106.931 2.952 17842 14070 1 19 . 1 1 42 42 GLY C C 43 172.317 172.317 171.809 0.508 17842 14071 1 19 . 1 1 42 42 GLY CA C 43 44.176 44.176 45.693 -1.517 17842 14072 1 19 . 1 1 42 42 GLY H H 43 8.892 8.892 8.701 0.191 17842 14073 1 19 . 1 1 43 43 ILE N N 44 118.005 118.005 120.048 -2.043 17842 14074 1 19 . 1 1 43 43 ILE C C 44 173.071 173.071 173.212 -0.141 17842 14075 1 19 . 1 1 43 43 ILE CA C 44 58.606 58.606 58.703 -0.097 17842 14076 1 19 . 1 1 43 43 ILE CB C 44 42.130 42.130 42.074 0.056 17842 14077 1 19 . 1 1 43 43 ILE H H 44 8.879 8.879 7.937 0.942 17842 14078 1 19 . 1 1 44 44 ARG N N 45 120.855 120.855 122.660 -1.805 17842 14079 1 19 . 1 1 44 44 ARG C C 45 174.942 174.942 174.456 0.486 17842 14080 1 19 . 1 1 44 44 ARG CA C 45 52.889 52.889 53.631 -0.742 17842 14081 1 19 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.569 -0.617 17842 14082 1 19 . 1 1 44 44 ARG H H 45 8.708 8.708 9.229 -0.521 17842 14083 1 19 . 1 1 45 45 ALA N N 46 119.127 119.127 122.015 -2.888 17842 14084 1 19 . 1 1 45 45 ALA C C 46 175.693 175.693 174.965 0.728 17842 14085 1 19 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.274 -1.654 17842 14086 1 19 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.294 0.488 17842 14087 1 19 . 1 1 45 45 ALA H H 46 8.419 8.419 8.072 0.347 17842 14088 1 19 . 1 1 46 46 GLY N N 47 107.350 107.350 109.483 -2.133 17842 14089 1 19 . 1 1 46 46 GLY C C 47 171.353 171.353 171.302 0.051 17842 14090 1 19 . 1 1 46 46 GLY CA C 47 45.630 45.630 45.614 0.016 17842 14091 1 19 . 1 1 46 46 GLY H H 47 7.819 7.819 8.400 -0.581 17842 14092 1 19 . 1 1 47 47 GLN N N 48 118.061 118.061 118.827 -0.766 17842 14093 1 19 . 1 1 47 47 GLN C C 48 173.671 173.671 174.819 -1.148 17842 14094 1 19 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.874 -0.509 17842 14095 1 19 . 1 1 47 47 GLN CB C 48 32.912 32.912 33.163 -0.252 17842 14096 1 19 . 1 1 47 47 GLN H H 48 8.483 8.483 7.833 0.650 17842 14097 1 19 . 1 1 48 48 GLN N N 49 122.691 122.691 121.551 1.140 17842 14098 1 19 . 1 1 48 48 GLN C C 49 173.291 173.291 174.794 -1.503 17842 14099 1 19 . 1 1 48 48 GLN CA C 49 54.593 54.593 55.278 -0.685 17842 14100 1 19 . 1 1 48 48 GLN CB C 49 30.750 30.750 30.669 0.081 17842 14101 1 19 . 1 1 48 48 GLN H H 49 9.319 9.319 9.353 -0.034 17842 14102 1 19 . 1 1 49 49 PHE N N 50 126.379 126.379 126.952 -0.573 17842 14103 1 19 . 1 1 49 49 PHE C C 50 175.918 175.918 174.806 1.112 17842 14104 1 19 . 1 1 49 49 PHE CA C 50 55.013 55.013 55.581 -0.568 17842 14105 1 19 . 1 1 49 49 PHE CB C 50 39.974 39.974 43.463 -3.489 17842 14106 1 19 . 1 1 49 49 PHE H H 50 8.781 8.781 9.356 -0.575 17842 14107 1 19 . 1 1 50 50 GLU N N 51 121.087 121.087 121.111 -0.024 17842 14108 1 19 . 1 1 50 50 GLU C C 51 178.452 178.452 176.389 2.063 17842 14109 1 19 . 1 1 50 50 GLU CA C 51 60.435 60.435 58.538 1.897 17842 14110 1 19 . 1 1 50 50 GLU CB C 51 28.686 28.686 28.880 -0.194 17842 14111 1 19 . 1 1 50 50 GLU H H 51 8.975 8.975 8.032 0.943 17842 14112 1 19 . 1 1 51 51 GLN N N 52 111.198 111.198 118.316 -7.118 17842 14113 1 19 . 1 1 51 51 GLN C C 52 176.031 176.031 174.888 1.143 17842 14114 1 19 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.047 0.789 17842 14115 1 19 . 1 1 51 51 GLN CB C 52 28.617 28.617 29.005 -0.388 17842 14116 1 19 . 1 1 51 51 GLN H H 52 7.955 7.955 7.610 0.345 17842 14117 1 19 . 1 1 52 52 GLY N N 53 110.800 110.800 107.299 3.501 17842 14118 1 19 . 1 1 52 52 GLY C C 53 169.076 169.076 171.748 -2.672 17842 14119 1 19 . 1 1 52 52 GLY CA C 53 45.303 45.303 44.844 0.459 17842 14120 1 19 . 1 1 52 52 GLY H H 53 6.696 6.696 7.710 -1.014 17842 14121 1 19 . 1 1 53 53 ARG N N 54 111.857 111.857 121.697 -9.840 17842 14122 1 19 . 1 1 53 53 ARG C C 54 172.397 172.397 174.120 -1.723 17842 14123 1 19 . 1 1 53 53 ARG CA C 54 54.227 54.227 54.840 -0.613 17842 14124 1 19 . 1 1 53 53 ARG CB C 54 31.755 31.755 34.581 -2.826 17842 14125 1 19 . 1 1 53 53 ARG H H 54 8.216 8.216 8.924 -0.708 17842 14126 1 19 . 1 1 54 54 TYR N N 55 116.379 116.379 128.496 -12.117 17842 14127 1 19 . 1 1 54 54 TYR C C 55 175.461 175.461 174.408 1.053 17842 14128 1 19 . 1 1 54 54 TYR CA C 55 55.296 55.296 55.356 -0.060 17842 14129 1 19 . 1 1 54 54 TYR CB C 55 41.539 41.539 42.903 -1.363 17842 14130 1 19 . 1 1 54 54 TYR H H 55 8.477 8.477 9.646 -1.169 17842 14131 1 19 . 1 1 55 55 TYR N N 56 114.651 114.651 117.054 -2.403 17842 14132 1 19 . 1 1 55 55 TYR C C 56 173.431 173.431 172.396 1.035 17842 14133 1 19 . 1 1 55 55 TYR CA C 56 55.886 55.886 56.799 -0.913 17842 14134 1 19 . 1 1 55 55 TYR CB C 56 37.595 37.595 38.726 -1.131 17842 14135 1 19 . 1 1 55 55 TYR H H 56 8.221 8.221 7.401 0.820 17842 14136 1 19 . 1 1 56 56 ALA N N 57 125.460 125.460 126.633 -1.173 17842 14137 1 19 . 1 1 56 56 ALA C C 57 175.737 175.737 176.574 -0.837 17842 14138 1 19 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.170 -1.022 17842 14139 1 19 . 1 1 56 56 ALA CB C 57 20.777 20.777 20.213 0.564 17842 14140 1 19 . 1 1 56 56 ALA H H 57 9.034 9.034 8.112 0.922 17842 14141 1 19 . 1 1 57 57 THR N N 58 116.923 116.923 117.530 -0.607 17842 14142 1 19 . 1 1 57 57 THR C C 58 173.462 173.462 173.906 -0.444 17842 14143 1 19 . 1 1 57 57 THR CA C 58 61.458 61.458 59.743 1.715 17842 14144 1 19 . 1 1 57 57 THR CB C 58 71.683 71.683 70.227 1.456 17842 14145 1 19 . 1 1 57 57 THR H H 58 8.907 8.907 8.564 0.343 17842 14146 1 19 . 1 1 58 58 TYR N N 59 126.784 126.784 126.487 0.297 17842 14147 1 19 . 1 1 58 58 TYR C C 59 173.954 173.954 174.668 -0.714 17842 14148 1 19 . 1 1 58 58 TYR CA C 59 55.682 55.682 56.957 -1.275 17842 14149 1 19 . 1 1 58 58 TYR CB C 59 41.320 41.320 39.101 2.219 17842 14150 1 19 . 1 1 58 58 TYR H H 59 8.974 8.974 8.306 0.668 17842 14151 1 19 . 1 1 59 59 GLU N N 60 124.211 124.211 121.640 2.571 17842 14152 1 19 . 1 1 59 59 GLU C C 60 173.989 173.989 175.200 -1.211 17842 14153 1 19 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.034 -1.110 17842 14154 1 19 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.989 -0.247 17842 14155 1 19 . 1 1 59 59 GLU H H 60 8.049 8.049 8.450 -0.401 17842 14156 1 19 . 1 1 60 60 ASN N N 61 118.358 118.358 115.875 2.483 17842 14157 1 19 . 1 1 60 60 ASN C C 61 173.609 173.609 174.059 -0.450 17842 14158 1 19 . 1 1 60 60 ASN CA C 61 52.281 52.281 52.281 0.000 17842 14159 1 19 . 1 1 60 60 ASN H H 61 8.155 8.155 7.668 0.487 17842 14160 1 19 . 1 1 61 61 ILE C C 62 174.902 174.902 174.966 -0.064 17842 14161 1 19 . 1 1 61 61 ILE CA C 62 60.980 60.980 61.050 -0.070 17842 14162 1 19 . 1 1 61 61 ILE CB C 62 40.772 40.772 39.698 1.074 17842 14163 1 19 . 1 1 62 62 SER N N 63 121.368 121.368 119.193 2.175 17842 14164 1 19 . 1 1 62 62 SER C C 63 173.027 173.027 173.240 -0.213 17842 14165 1 19 . 1 1 62 62 SER CA C 63 57.295 57.295 58.089 -0.794 17842 14166 1 19 . 1 1 62 62 SER CB C 63 64.306 64.306 66.540 -2.234 17842 14167 1 19 . 1 1 62 62 SER H H 63 8.339 8.339 8.532 -0.193 17842 14168 1 19 . 1 1 63 63 ASP N N 64 124.300 124.300 121.936 2.364 17842 14169 1 19 . 1 1 63 63 ASP C C 64 176.570 176.570 175.496 1.074 17842 14170 1 19 . 1 1 63 63 ASP CA C 64 53.291 53.291 55.060 -1.769 17842 14171 1 19 . 1 1 63 63 ASP CB C 64 42.484 42.484 41.740 0.744 17842 14172 1 19 . 1 1 63 63 ASP H H 64 8.596 8.596 8.763 -0.167 17842 14173 1 19 . 1 1 64 64 THR N N 65 116.756 116.756 112.690 4.066 17842 14174 1 19 . 1 1 64 64 THR C C 65 175.975 175.975 175.927 0.048 17842 14175 1 19 . 1 1 64 64 THR CA C 65 61.608 61.608 60.820 0.788 17842 14176 1 19 . 1 1 64 64 THR CB C 65 68.856 68.856 70.196 -1.340 17842 14177 1 19 . 1 1 64 64 THR H H 65 8.581 8.581 7.820 0.761 17842 14178 1 19 . 1 1 65 65 SER N N 66 119.276 119.276 118.010 1.266 17842 14179 1 19 . 1 1 65 65 SER CA C 66 59.728 59.728 60.868 -1.140 17842 14180 1 19 . 1 1 65 65 SER CB C 66 63.514 63.514 63.187 0.327 17842 14181 1 19 . 1 1 65 65 SER H H 66 8.492 8.492 8.611 -0.119 17842 14182 1 19 . 1 1 66 66 SER C C 67 175.122 175.122 174.541 0.581 17842 14183 1 19 . 1 1 66 66 SER CA C 67 58.554 58.554 58.765 -0.211 17842 14184 1 19 . 1 1 67 67 GLY N N 68 110.266 110.266 110.164 0.102 17842 14185 1 19 . 1 1 67 67 GLY C C 68 173.832 173.832 173.443 0.389 17842 14186 1 19 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.553 0.653 17842 14187 1 19 . 1 1 67 67 GLY H H 68 8.184 8.184 7.535 0.649 17842 14188 1 19 . 1 1 68 68 ASN N N 69 118.584 118.584 122.514 -3.930 17842 14189 1 19 . 1 1 68 68 ASN C C 69 174.239 174.239 175.384 -1.145 17842 14190 1 19 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.476 0.254 17842 14191 1 19 . 1 1 68 68 ASN CB C 69 38.938 38.938 38.744 0.194 17842 14192 1 19 . 1 1 68 68 ASN H H 69 7.972 7.972 8.605 -0.633 17842 14193 1 19 . 1 1 72 72 GLN C C 73 173.610 173.610 173.875 -0.265 17842 14194 1 19 . 1 1 72 72 GLN CA C 73 53.449 53.449 54.969 -1.520 17842 14195 1 19 . 1 1 73 73 GLN N N 74 123.659 123.659 119.648 4.011 17842 14196 1 19 . 1 1 73 73 GLN C C 74 173.276 173.276 175.407 -2.131 17842 14197 1 19 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.133 -0.589 17842 14198 1 19 . 1 1 73 73 GLN CB C 74 34.344 34.344 32.713 1.631 17842 14199 1 19 . 1 1 73 73 GLN H H 74 8.697 8.697 8.071 0.626 17842 14200 1 19 . 1 1 74 74 ASN N N 75 118.720 118.720 118.542 0.178 17842 14201 1 19 . 1 1 74 74 ASN C C 75 173.733 173.733 173.831 -0.098 17842 14202 1 19 . 1 1 74 74 ASN CA C 75 50.269 50.269 53.389 -3.120 17842 14203 1 19 . 1 1 74 74 ASN CB C 75 40.070 40.070 42.355 -2.285 17842 14204 1 19 . 1 1 74 74 ASN H H 75 8.295 8.295 8.256 0.039 17842 14205 1 19 . 1 1 75 75 LEU N N 76 124.353 124.353 124.153 0.200 17842 14206 1 19 . 1 1 75 75 LEU C C 76 174.267 174.267 174.863 -0.596 17842 14207 1 19 . 1 1 75 75 LEU CA C 76 53.916 53.916 55.210 -1.294 17842 14208 1 19 . 1 1 75 75 LEU CB C 76 44.633 44.633 43.996 0.637 17842 14209 1 19 . 1 1 75 75 LEU H H 76 8.847 8.847 8.250 0.597 17842 14210 1 19 . 1 1 76 76 LEU N N 77 124.437 124.437 121.765 2.672 17842 14211 1 19 . 1 1 76 76 LEU C C 77 175.188 175.188 175.410 -0.222 17842 14212 1 19 . 1 1 76 76 LEU CA C 77 52.934 52.934 54.573 -1.639 17842 14213 1 19 . 1 1 76 76 LEU CB C 77 45.115 45.115 46.237 -1.122 17842 14214 1 19 . 1 1 76 76 LEU H H 77 9.222 9.222 8.022 1.200 17842 14215 1 19 . 1 1 77 77 GLY N N 78 107.288 107.288 108.372 -1.084 17842 14216 1 19 . 1 1 77 77 GLY C C 78 171.733 171.733 173.701 -1.968 17842 14217 1 19 . 1 1 77 77 GLY CA C 78 44.160 44.160 43.997 0.163 17842 14218 1 19 . 1 1 77 77 GLY H H 78 9.132 9.132 9.018 0.114 17842 14219 1 19 . 1 1 78 78 SER N N 79 117.437 117.437 121.815 -4.378 17842 14220 1 19 . 1 1 78 78 SER C C 79 171.279 171.279 172.749 -1.470 17842 14221 1 19 . 1 1 78 78 SER CA C 79 57.272 57.272 57.081 0.190 17842 14222 1 19 . 1 1 78 78 SER CB C 79 65.596 65.596 64.942 0.654 17842 14223 1 19 . 1 1 78 78 SER H H 79 8.210 8.210 8.207 0.003 17842 14224 1 19 . 1 1 79 79 TYR N N 80 122.901 122.901 125.951 -3.050 17842 14225 1 19 . 1 1 79 79 TYR C C 80 173.757 173.757 173.780 -0.023 17842 14226 1 19 . 1 1 79 79 TYR CA C 80 56.243 56.243 56.448 -0.205 17842 14227 1 19 . 1 1 79 79 TYR CB C 80 42.570 42.570 40.986 1.584 17842 14228 1 19 . 1 1 79 79 TYR H H 80 8.092 8.092 8.529 -0.437 17842 14229 1 19 . 1 1 80 80 ASP N N 81 122.808 122.808 126.628 -3.820 17842 14230 1 19 . 1 1 80 80 ASP C C 81 173.607 173.607 173.554 0.053 17842 14231 1 19 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.803 -0.138 17842 14232 1 19 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.954 -0.167 17842 14233 1 19 . 1 1 80 80 ASP H H 81 8.268 8.268 8.758 -0.490 17842 14234 1 19 . 1 1 81 81 ALA N N 82 121.201 121.201 122.318 -1.117 17842 14235 1 19 . 1 1 81 81 ALA C C 82 177.094 177.094 176.443 0.651 17842 14236 1 19 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.613 -0.868 17842 14237 1 19 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.576 0.935 17842 14238 1 19 . 1 1 81 81 ALA H H 82 8.931 8.931 7.969 0.962 17842 14239 1 19 . 1 1 82 82 PHE N N 83 116.305 116.305 122.475 -6.170 17842 14240 1 19 . 1 1 82 82 PHE C C 83 176.299 176.299 174.229 2.070 17842 14241 1 19 . 1 1 82 82 PHE CA C 83 52.664 52.664 56.063 -3.399 17842 14242 1 19 . 1 1 82 82 PHE CB C 83 42.121 42.121 40.944 1.177 17842 14243 1 19 . 1 1 82 82 PHE H H 83 7.404 7.404 8.251 -0.847 17842 14244 1 19 . 1 1 83 83 LEU N N 84 122.208 122.208 121.211 0.997 17842 14245 1 19 . 1 1 83 83 LEU C C 84 173.599 173.599 174.321 -0.722 17842 14246 1 19 . 1 1 83 83 LEU CA C 84 51.874 51.874 53.169 -1.295 17842 14247 1 19 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.083 -0.717 17842 14248 1 19 . 1 1 83 83 LEU H H 84 9.049 9.049 8.436 0.613 17842 14249 1 19 . 1 1 84 84 PRO C C 85 175.877 175.877 176.274 -0.397 17842 14250 1 19 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.746 -0.705 17842 14251 1 19 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.640 -0.154 17842 14252 1 19 . 1 1 85 85 ILE N N 86 119.588 119.588 126.049 -6.461 17842 14253 1 19 . 1 1 85 85 ILE C C 86 175.749 175.749 175.462 0.287 17842 14254 1 19 . 1 1 85 85 ILE CA C 86 59.267 59.267 61.037 -1.770 17842 14255 1 19 . 1 1 85 85 ILE CB C 86 39.835 39.835 40.362 -0.527 17842 14256 1 19 . 1 1 85 85 ILE H H 86 8.205 8.205 8.041 0.164 17842 14257 1 19 . 1 1 86 86 GLY N N 87 112.396 112.396 116.790 -4.394 17842 14258 1 19 . 1 1 86 86 GLY C C 87 174.218 174.218 173.203 1.015 17842 14259 1 19 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.407 0.285 17842 14260 1 19 . 1 1 86 86 GLY H H 87 8.364 8.364 8.211 0.153 17842 14261 1 19 . 1 1 87 87 ASP N N 88 122.109 122.109 122.593 -0.484 17842 14262 1 19 . 1 1 87 87 ASP C C 88 175.839 175.839 176.092 -0.253 17842 14263 1 19 . 1 1 87 87 ASP CA C 88 53.535 53.535 53.824 -0.289 17842 14264 1 19 . 1 1 87 87 ASP CB C 88 41.132 41.132 41.183 -0.051 17842 14265 1 19 . 1 1 87 87 ASP H H 88 8.249 8.249 8.175 0.074 17842 14266 1 19 . 1 1 88 88 ASN N N 89 116.308 116.308 116.632 -0.324 17842 14267 1 19 . 1 1 88 88 ASN C C 89 175.100 175.100 174.181 0.919 17842 14268 1 19 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.411 -0.489 17842 14269 1 19 . 1 1 88 88 ASN CB C 89 38.183 38.183 37.962 0.221 17842 14270 1 19 . 1 1 88 88 ASN H H 89 8.449 8.449 8.788 -0.339 17842 14271 1 19 . 1 1 89 89 ASN N N 90 115.987 115.987 114.557 1.430 17842 14272 1 19 . 1 1 89 89 ASN C C 90 173.909 173.909 174.881 -0.972 17842 14273 1 19 . 1 1 89 89 ASN CA C 90 54.386 54.386 53.658 0.728 17842 14274 1 19 . 1 1 89 89 ASN CB C 90 37.657 37.657 40.303 -2.646 17842 14275 1 19 . 1 1 89 89 ASN H H 90 8.477 8.477 8.135 0.342 17842 14276 1 19 . 1 1 90 90 THR N N 91 116.991 116.991 114.441 2.550 17842 14277 1 19 . 1 1 90 90 THR C C 91 173.763 173.763 173.684 0.079 17842 14278 1 19 . 1 1 90 90 THR CA C 91 62.170 62.170 62.454 -0.284 17842 14279 1 19 . 1 1 90 90 THR CB C 91 68.706 68.706 69.551 -0.845 17842 14280 1 19 . 1 1 90 90 THR H H 91 7.600 7.600 7.777 -0.177 17842 14281 1 19 . 1 1 91 91 LYS N N 92 124.349 124.349 124.316 0.033 17842 14282 1 19 . 1 1 91 91 LYS C C 92 175.815 175.815 176.401 -0.586 17842 14283 1 19 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.234 -0.828 17842 14284 1 19 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.646 0.852 17842 14285 1 19 . 1 1 91 91 LYS H H 92 9.249 9.249 8.637 0.612 17842 14286 1 19 . 1 1 92 92 LEU N N 93 123.462 123.462 128.532 -5.070 17842 14287 1 19 . 1 1 92 92 LEU C C 93 176.260 176.260 175.773 0.487 17842 14288 1 19 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.030 -1.201 17842 14289 1 19 . 1 1 92 92 LEU CB C 93 43.614 43.614 40.998 2.616 17842 14290 1 19 . 1 1 92 92 LEU H H 93 8.650 8.650 8.250 0.400 17842 14291 1 19 . 1 1 93 93 PHE N N 94 119.497 119.497 122.266 -2.769 17842 14292 1 19 . 1 1 93 93 PHE C C 94 173.154 173.154 174.918 -1.764 17842 14293 1 19 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.610 0.526 17842 14294 1 19 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.169 1.924 17842 14295 1 19 . 1 1 93 93 PHE H H 94 8.485 8.485 7.519 0.966 17842 14296 1 19 . 1 1 94 94 GLY N N 95 105.945 105.945 106.877 -0.932 17842 14297 1 19 . 1 1 94 94 GLY C C 95 171.815 171.815 172.686 -0.871 17842 14298 1 19 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.539 -1.157 17842 14299 1 19 . 1 1 94 94 GLY H H 95 8.256 8.256 8.131 0.125 17842 14300 1 19 . 1 1 95 95 GLY N N 96 110.432 110.432 110.547 -0.115 17842 14301 1 19 . 1 1 95 95 GLY C C 96 171.826 171.826 172.104 -0.278 17842 14302 1 19 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.812 1.075 17842 14303 1 19 . 1 1 95 95 GLY H H 96 9.005 9.005 8.652 0.353 17842 14304 1 19 . 1 1 96 96 ALA N N 97 117.509 117.509 121.467 -3.958 17842 14305 1 19 . 1 1 96 96 ALA C C 97 176.928 176.928 175.416 1.512 17842 14306 1 19 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.474 -1.073 17842 14307 1 19 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.374 1.051 17842 14308 1 19 . 1 1 96 96 ALA H H 97 8.039 8.039 8.096 -0.057 17842 14309 1 19 . 1 1 97 97 THR N N 98 118.891 118.891 113.370 5.521 17842 14310 1 19 . 1 1 97 97 THR C C 98 172.492 172.492 173.258 -0.766 17842 14311 1 19 . 1 1 97 97 THR CA C 98 61.730 61.730 61.708 0.022 17842 14312 1 19 . 1 1 97 97 THR CB C 98 73.046 73.046 71.882 1.165 17842 14313 1 19 . 1 1 97 97 THR H H 98 8.379 8.379 8.074 0.305 17842 14314 1 19 . 1 1 98 98 LEU N N 99 124.958 124.958 122.477 2.481 17842 14315 1 19 . 1 1 98 98 LEU C C 99 175.753 175.753 175.131 0.622 17842 14316 1 19 . 1 1 98 98 LEU CA C 99 53.474 53.474 55.061 -1.587 17842 14317 1 19 . 1 1 98 98 LEU CB C 99 47.243 47.243 46.600 0.643 17842 14318 1 19 . 1 1 98 98 LEU H H 99 8.880 8.880 8.202 0.678 17842 14319 1 19 . 1 1 99 99 GLY N N 100 106.645 106.645 110.197 -3.552 17842 14320 1 19 . 1 1 99 99 GLY C C 100 169.886 169.886 171.919 -2.033 17842 14321 1 19 . 1 1 99 99 GLY CA C 100 46.631 46.631 45.417 1.214 17842 14322 1 19 . 1 1 99 99 GLY H H 100 8.635 8.635 8.286 0.349 17842 14323 1 19 . 1 1 100 100 LEU N N 101 121.823 121.823 118.295 3.528 17842 14324 1 19 . 1 1 100 100 LEU C C 101 174.876 174.876 174.860 0.016 17842 14325 1 19 . 1 1 100 100 LEU CA C 101 53.071 53.071 55.293 -2.222 17842 14326 1 19 . 1 1 100 100 LEU CB C 101 46.646 46.646 47.001 -0.355 17842 14327 1 19 . 1 1 100 100 LEU H H 101 9.088 9.088 8.773 0.315 17842 14328 1 19 . 1 1 101 101 VAL N N 102 118.857 118.857 122.640 -3.783 17842 14329 1 19 . 1 1 101 101 VAL C C 102 174.015 174.015 174.567 -0.552 17842 14330 1 19 . 1 1 101 101 VAL CA C 102 59.666 59.666 60.208 -0.542 17842 14331 1 19 . 1 1 101 101 VAL CB C 102 35.406 35.406 34.493 0.913 17842 14332 1 19 . 1 1 101 101 VAL H H 102 8.291 8.291 8.376 -0.085 17842 14333 1 19 . 1 1 102 102 LYS N N 103 126.552 126.552 129.500 -2.948 17842 14334 1 19 . 1 1 102 102 LYS C C 103 174.712 174.712 175.583 -0.871 17842 14335 1 19 . 1 1 102 102 LYS CA C 103 54.433 54.433 55.506 -1.073 17842 14336 1 19 . 1 1 102 102 LYS CB C 103 35.733 35.733 33.082 2.651 17842 14337 1 19 . 1 1 102 102 LYS H H 103 9.141 9.141 8.006 1.135 17842 14338 1 19 . 1 1 103 103 LEU N N 104 129.605 129.605 127.840 1.765 17842 14339 1 19 . 1 1 103 103 LEU C C 104 175.344 175.344 175.390 -0.046 17842 14340 1 19 . 1 1 103 103 LEU CA C 104 53.492 53.492 54.345 -0.853 17842 14341 1 19 . 1 1 103 103 LEU CB C 104 45.004 45.004 44.833 0.171 17842 14342 1 19 . 1 1 103 103 LEU H H 104 8.921 8.921 7.990 0.931 17842 14343 1 19 . 1 1 104 104 GLU C C 105 174.715 174.715 175.589 -0.874 17842 14344 1 19 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.050 -0.424 17842 14345 1 19 . 1 1 104 104 GLU CB C 105 33.055 33.055 31.897 1.158 17842 14346 1 19 . 1 1 105 105 GLN N N 106 121.991 121.991 119.912 2.079 17842 14347 1 19 . 1 1 105 105 GLN C C 106 175.002 175.002 175.055 -0.053 17842 14348 1 19 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.419 -0.740 17842 14349 1 19 . 1 1 105 105 GLN CB C 106 30.252 30.252 31.254 -1.002 17842 14350 1 19 . 1 1 105 105 GLN H H 106 8.532 8.532 8.465 0.067 17842 14351 1 19 . 1 1 106 106 ASP N N 107 123.884 123.884 121.096 2.788 17842 14352 1 19 . 1 1 106 106 ASP C C 107 176.352 176.352 176.484 -0.132 17842 14353 1 19 . 1 1 106 106 ASP CA C 107 54.108 54.108 53.805 0.303 17842 14354 1 19 . 1 1 106 106 ASP CB C 107 41.448 41.448 41.507 -0.058 17842 14355 1 19 . 1 1 106 106 ASP H H 107 8.414 8.414 8.529 -0.115 17842 14356 1 19 . 1 1 107 107 GLY N N 108 110.294 110.294 106.084 4.210 17842 14357 1 19 . 1 1 107 107 GLY C C 108 174.111 174.111 174.057 0.054 17842 14358 1 19 . 1 1 107 107 GLY CA C 108 44.992 44.992 45.065 -0.073 17842 14359 1 19 . 1 1 107 107 GLY H H 108 8.226 8.226 8.556 -0.330 17842 14360 1 19 . 1 1 108 108 LYS N N 109 121.045 121.045 119.660 1.385 17842 14361 1 19 . 1 1 108 108 LYS C C 109 176.988 176.988 177.708 -0.720 17842 14362 1 19 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.200 0.043 17842 14363 1 19 . 1 1 108 108 LYS CB C 109 31.957 31.957 33.376 -1.419 17842 14364 1 19 . 1 1 108 108 LYS H H 109 8.130 8.130 8.053 0.077 17842 14365 1 19 . 1 1 109 109 GLY N N 110 109.975 109.975 109.987 -0.012 17842 14366 1 19 . 1 1 109 109 GLY C C 110 173.856 173.856 174.407 -0.551 17842 14367 1 19 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.662 0.307 17842 14368 1 19 . 1 1 109 109 GLY H H 110 8.313 8.313 7.698 0.615 17842 14369 1 19 . 1 1 110 110 PHE N N 111 119.873 119.873 118.799 1.074 17842 14370 1 19 . 1 1 110 110 PHE C C 111 175.195 175.195 175.121 0.074 17842 14371 1 19 . 1 1 110 110 PHE CA C 111 57.334 57.334 56.930 0.404 17842 14372 1 19 . 1 1 110 110 PHE CB C 111 39.311 39.311 39.941 -0.630 17842 14373 1 19 . 1 1 110 110 PHE H H 111 7.848 7.848 7.281 0.567 17842 14374 1 19 . 1 1 111 111 LYS N N 112 122.900 122.900 123.550 -0.650 17842 14375 1 19 . 1 1 111 111 LYS C C 112 175.898 175.898 175.402 0.496 17842 14376 1 19 . 1 1 111 111 LYS CA C 112 55.928 55.928 56.304 -0.376 17842 14377 1 19 . 1 1 111 111 LYS CB C 112 32.741 32.741 33.572 -0.831 17842 14378 1 19 . 1 1 111 111 LYS H H 112 8.073 8.073 8.438 -0.365 17842 14379 1 19 . 1 1 112 112 ARG N N 113 123.302 123.302 124.284 -0.982 17842 14380 1 19 . 1 1 112 112 ARG C C 113 175.762 175.762 175.619 0.143 17842 14381 1 19 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.747 -0.870 17842 14382 1 19 . 1 1 112 112 ARG CB C 113 30.678 30.678 31.081 -0.403 17842 14383 1 19 . 1 1 112 112 ARG H H 113 8.277 8.277 8.850 -0.573 17842 14384 1 19 . 1 1 113 113 ASP N N 114 122.193 122.193 120.351 1.842 17842 14385 1 19 . 1 1 113 113 ASP C C 114 175.875 175.875 174.793 1.082 17842 14386 1 19 . 1 1 113 113 ASP CA C 114 54.219 54.219 54.174 0.045 17842 14387 1 19 . 1 1 113 113 ASP CB C 114 41.279 41.279 42.214 -0.935 17842 14388 1 19 . 1 1 113 113 ASP H H 114 8.300 8.300 8.352 -0.052 17842 14389 1 19 . 1 1 114 114 SER N N 115 114.844 114.844 118.903 -4.059 17842 14390 1 19 . 1 1 114 114 SER C C 115 173.567 173.567 173.252 0.315 17842 14391 1 19 . 1 1 114 114 SER CA C 115 57.538 57.538 57.732 -0.194 17842 14392 1 19 . 1 1 114 114 SER CB C 115 64.306 64.306 64.639 -0.334 17842 14393 1 19 . 1 1 114 114 SER H H 115 8.071 8.071 8.595 -0.524 17842 14394 1 19 . 1 1 115 115 ASP N N 116 122.371 122.371 122.351 0.020 17842 14395 1 19 . 1 1 115 115 ASP C C 116 175.096 175.096 174.367 0.729 17842 14396 1 19 . 1 1 115 115 ASP CA C 116 53.960 53.960 54.797 -0.837 17842 14397 1 19 . 1 1 115 115 ASP CB C 116 42.394 42.394 42.450 -0.056 17842 14398 1 19 . 1 1 115 115 ASP H H 116 8.400 8.400 8.534 -0.134 17842 14399 1 19 . 1 1 116 116 VAL N N 117 120.462 120.462 112.370 8.092 17842 14400 1 19 . 1 1 116 116 VAL C C 117 175.349 175.349 174.572 0.777 17842 14401 1 19 . 1 1 116 116 VAL CA C 117 60.785 60.785 60.127 0.658 17842 14402 1 19 . 1 1 116 116 VAL CB C 117 33.507 33.507 35.284 -1.777 17842 14403 1 19 . 1 1 116 116 VAL H H 117 8.014 8.014 7.816 0.198 17842 14404 1 19 . 1 1 117 117 GLY N N 118 112.807 112.807 107.290 5.517 17842 14405 1 19 . 1 1 117 117 GLY C C 118 172.079 172.079 172.406 -0.327 17842 14406 1 19 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.358 -1.103 17842 14407 1 19 . 1 1 117 117 GLY H H 118 8.871 8.871 7.943 0.928 17842 14408 1 19 . 1 1 118 118 TYR N N 119 117.704 117.704 119.216 -1.512 17842 14409 1 19 . 1 1 118 118 TYR C C 119 175.024 175.024 174.738 0.286 17842 14410 1 19 . 1 1 118 118 TYR CA C 119 55.968 55.968 58.103 -2.135 17842 14411 1 19 . 1 1 118 118 TYR CB C 119 41.089 41.089 40.325 0.764 17842 14412 1 19 . 1 1 118 118 TYR H H 119 8.406 8.406 7.805 0.601 17842 14413 1 19 . 1 1 119 119 ALA N N 120 122.050 122.050 126.097 -4.047 17842 14414 1 19 . 1 1 119 119 ALA C C 120 175.218 175.218 175.738 -0.520 17842 14415 1 19 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.630 0.031 17842 14416 1 19 . 1 1 119 119 ALA CB C 120 23.187 23.187 22.041 1.146 17842 14417 1 19 . 1 1 119 119 ALA H H 120 8.605 8.605 8.125 0.480 17842 14418 1 19 . 1 1 120 120 ALA N N 121 119.839 119.839 124.329 -4.490 17842 14419 1 19 . 1 1 120 120 ALA C C 121 175.881 175.881 175.762 0.119 17842 14420 1 19 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.296 -1.956 17842 14421 1 19 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.721 0.744 17842 14422 1 19 . 1 1 120 120 ALA H H 121 8.476 8.476 7.972 0.504 17842 14423 1 19 . 1 1 121 121 GLY N N 122 107.807 107.807 108.068 -0.261 17842 14424 1 19 . 1 1 121 121 GLY C C 122 171.191 171.191 171.959 -0.768 17842 14425 1 19 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.524 0.541 17842 14426 1 19 . 1 1 121 121 GLY H H 122 8.931 8.931 8.180 0.751 17842 14427 1 19 . 1 1 122 122 LEU N N 123 118.400 118.400 119.876 -1.476 17842 14428 1 19 . 1 1 122 122 LEU C C 123 174.684 174.684 174.744 -0.060 17842 14429 1 19 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.509 -1.282 17842 14430 1 19 . 1 1 122 122 LEU CB C 123 48.385 48.385 47.301 1.084 17842 14431 1 19 . 1 1 122 122 LEU H H 123 8.351 8.351 7.953 0.398 17842 14432 1 19 . 1 1 123 123 GLN N N 124 113.455 113.455 116.904 -3.449 17842 14433 1 19 . 1 1 123 123 GLN C C 124 173.895 173.895 174.032 -0.137 17842 14434 1 19 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.444 -0.440 17842 14435 1 19 . 1 1 123 123 GLN CB C 124 28.135 28.135 33.959 -5.824 17842 14436 1 19 . 1 1 123 123 GLN H H 124 8.159 8.159 8.207 -0.048 17842 14437 1 19 . 1 1 124 124 ALA N N 125 118.711 118.711 120.651 -1.940 17842 14438 1 19 . 1 1 124 124 ALA C C 125 174.962 174.962 174.175 0.787 17842 14439 1 19 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.112 -1.316 17842 14440 1 19 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.115 0.891 17842 14441 1 19 . 1 1 124 124 ALA H H 125 8.638 8.638 8.495 0.143 17842 14442 1 19 . 1 1 125 125 GLY N N 126 103.783 103.783 106.653 -2.870 17842 14443 1 19 . 1 1 125 125 GLY C C 126 170.390 170.390 171.250 -0.860 17842 14444 1 19 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.148 1.262 17842 14445 1 19 . 1 1 125 125 GLY H H 126 7.103 7.103 6.605 0.498 17842 14446 1 19 . 1 1 126 126 ILE N N 127 118.306 118.306 115.129 3.177 17842 14447 1 19 . 1 1 126 126 ILE C C 127 172.353 172.353 174.016 -1.663 17842 14448 1 19 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.423 -1.830 17842 14449 1 19 . 1 1 126 126 ILE CB C 127 42.164 42.164 40.964 1.200 17842 14450 1 19 . 1 1 126 126 ILE H H 127 8.564 8.564 8.166 0.398 17842 14451 1 19 . 1 1 127 127 LEU N N 128 129.339 129.339 127.922 1.417 17842 14452 1 19 . 1 1 127 127 LEU C C 128 173.613 173.613 176.087 -2.474 17842 14453 1 19 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.069 -0.541 17842 14454 1 19 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.379 3.425 17842 14455 1 19 . 1 1 127 127 LEU H H 128 9.236 9.236 8.143 1.093 17842 14456 1 19 . 1 1 128 128 GLN N N 129 126.801 126.801 125.012 1.789 17842 14457 1 19 . 1 1 128 128 GLN C C 129 175.093 175.093 175.497 -0.404 17842 14458 1 19 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.371 -1.177 17842 14459 1 19 . 1 1 128 128 GLN CB C 129 30.947 30.947 30.302 0.645 17842 14460 1 19 . 1 1 128 128 GLN H H 129 9.352 9.352 8.881 0.471 17842 14461 1 19 . 1 1 129 129 GLU N N 130 126.822 126.822 124.665 2.157 17842 14462 1 19 . 1 1 129 129 GLU C C 130 176.651 176.651 175.337 1.314 17842 14463 1 19 . 1 1 129 129 GLU CA C 130 56.181 56.181 56.321 -0.140 17842 14464 1 19 . 1 1 129 129 GLU CB C 130 27.761 27.761 30.471 -2.711 17842 14465 1 19 . 1 1 129 129 GLU H H 130 8.518 8.518 8.380 0.138 17842 14466 1 19 . 1 1 130 130 LEU N N 131 126.031 126.031 123.813 2.218 17842 14467 1 19 . 1 1 130 130 LEU C C 131 176.044 176.044 176.720 -0.676 17842 14468 1 19 . 1 1 130 130 LEU CA C 131 55.175 55.175 54.705 0.470 17842 14469 1 19 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.272 0.583 17842 14470 1 19 . 1 1 130 130 LEU H H 131 8.708 8.708 8.371 0.337 17842 14471 1 19 . 1 1 131 131 SER N N 132 113.049 113.049 112.709 0.340 17842 14472 1 19 . 1 1 131 131 SER C C 132 174.092 174.092 173.065 1.027 17842 14473 1 19 . 1 1 131 131 SER CA C 132 55.993 55.993 57.932 -1.939 17842 14474 1 19 . 1 1 131 131 SER CB C 132 64.945 64.945 64.502 0.443 17842 14475 1 19 . 1 1 131 131 SER H H 132 8.282 8.282 7.424 0.858 17842 14476 1 19 . 1 1 132 132 LYS C C 133 176.346 176.346 175.486 0.860 17842 14477 1 19 . 1 1 132 132 LYS CA C 133 58.497 58.497 55.986 2.510 17842 14478 1 19 . 1 1 132 132 LYS CB C 133 31.009 31.009 31.508 -0.498 17842 14479 1 19 . 1 1 133 133 ASN N N 134 110.795 110.795 115.750 -4.955 17842 14480 1 19 . 1 1 133 133 ASN C C 134 173.897 173.897 173.248 0.649 17842 14481 1 19 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.580 -0.002 17842 14482 1 19 . 1 1 133 133 ASN CB C 134 40.830 40.830 41.480 -0.650 17842 14483 1 19 . 1 1 133 133 ASN H H 134 7.761 7.761 7.690 0.071 17842 14484 1 19 . 1 1 134 134 ALA N N 135 122.181 122.181 121.063 1.118 17842 14485 1 19 . 1 1 134 134 ALA C C 135 176.250 176.250 175.617 0.633 17842 14486 1 19 . 1 1 134 134 ALA CA C 135 51.157 51.157 50.558 0.599 17842 14487 1 19 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.832 0.301 17842 14488 1 19 . 1 1 134 134 ALA H H 135 7.562 7.562 7.633 -0.071 17842 14489 1 19 . 1 1 135 135 SER N N 136 114.617 114.617 112.125 2.492 17842 14490 1 19 . 1 1 135 135 SER C C 136 172.507 172.507 172.794 -0.287 17842 14491 1 19 . 1 1 135 135 SER CA C 136 56.164 56.164 57.456 -1.292 17842 14492 1 19 . 1 1 135 135 SER CB C 136 66.255 66.255 66.520 -0.265 17842 14493 1 19 . 1 1 135 135 SER H H 136 8.717 8.717 8.369 0.348 17842 14494 1 19 . 1 1 136 136 ILE N N 137 114.495 114.495 115.492 -0.997 17842 14495 1 19 . 1 1 136 136 ILE C C 137 173.136 173.136 173.154 -0.018 17842 14496 1 19 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.290 -1.870 17842 14497 1 19 . 1 1 136 136 ILE CB C 137 42.700 42.700 42.165 0.535 17842 14498 1 19 . 1 1 136 136 ILE H H 137 8.592 8.592 8.517 0.075 17842 14499 1 19 . 1 1 137 137 GLU N N 138 122.016 122.016 119.911 2.105 17842 14500 1 19 . 1 1 137 137 GLU C C 138 173.792 173.792 175.529 -1.737 17842 14501 1 19 . 1 1 137 137 GLU CA C 138 53.537 53.537 53.975 -0.438 17842 14502 1 19 . 1 1 137 137 GLU CB C 138 35.118 35.118 33.277 1.841 17842 14503 1 19 . 1 1 137 137 GLU H H 138 8.902 8.902 8.206 0.696 17842 14504 1 19 . 1 1 138 138 GLY N N 139 107.847 107.847 106.527 1.320 17842 14505 1 19 . 1 1 138 138 GLY C C 139 171.817 171.817 172.762 -0.945 17842 14506 1 19 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.200 -1.130 17842 14507 1 19 . 1 1 138 138 GLY H H 139 8.485 8.485 8.038 0.447 17842 14508 1 19 . 1 1 139 139 GLY N N 140 108.290 108.290 109.439 -1.149 17842 14509 1 19 . 1 1 139 139 GLY C C 140 169.172 169.172 172.363 -3.191 17842 14510 1 19 . 1 1 139 139 GLY CA C 140 45.714 45.714 46.279 -0.565 17842 14511 1 19 . 1 1 139 139 GLY H H 140 7.841 7.841 8.756 -0.915 17842 14512 1 19 . 1 1 140 140 TYR N N 141 119.674 119.674 117.204 2.470 17842 14513 1 19 . 1 1 140 140 TYR C C 141 173.643 173.643 173.335 0.308 17842 14514 1 19 . 1 1 140 140 TYR CA C 141 55.179 55.179 54.959 0.220 17842 14515 1 19 . 1 1 140 140 TYR CB C 141 43.144 43.144 42.162 0.982 17842 14516 1 19 . 1 1 140 140 TYR H H 141 8.726 8.726 8.726 0.000 17842 14517 1 19 . 1 1 141 141 ARG N N 142 125.021 125.021 120.446 4.575 17842 14518 1 19 . 1 1 141 141 ARG C C 142 173.533 173.533 173.448 0.085 17842 14519 1 19 . 1 1 141 141 ARG CA C 142 53.813 53.813 55.271 -1.458 17842 14520 1 19 . 1 1 141 141 ARG CB C 142 33.239 33.239 34.204 -0.965 17842 14521 1 19 . 1 1 141 141 ARG H H 142 8.502 8.502 7.972 0.530 17842 14522 1 19 . 1 1 142 142 TYR N N 143 128.805 128.805 121.943 6.862 17842 14523 1 19 . 1 1 142 142 TYR C C 143 173.475 173.475 174.558 -1.083 17842 14524 1 19 . 1 1 142 142 TYR CA C 143 56.428 56.428 55.376 1.052 17842 14525 1 19 . 1 1 142 142 TYR CB C 143 41.642 41.642 40.340 1.302 17842 14526 1 19 . 1 1 142 142 TYR H H 143 8.978 8.978 8.939 0.039 17842 14527 1 19 . 1 1 143 143 LEU N N 144 125.513 125.513 119.688 5.825 17842 14528 1 19 . 1 1 143 143 LEU C C 144 175.370 175.370 175.014 0.356 17842 14529 1 19 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.873 -1.980 17842 14530 1 19 . 1 1 143 143 LEU CB C 144 45.924 45.924 46.549 -0.625 17842 14531 1 19 . 1 1 143 143 LEU H H 144 8.117 8.117 8.942 -0.825 17842 14532 1 19 . 1 1 144 144 ARG N N 145 122.193 122.193 120.752 1.441 17842 14533 1 19 . 1 1 144 144 ARG C C 145 175.452 175.452 175.348 0.104 17842 14534 1 19 . 1 1 144 144 ARG CA C 145 54.077 54.077 54.059 0.018 17842 14535 1 19 . 1 1 144 144 ARG CB C 145 31.377 31.377 33.628 -2.251 17842 14536 1 19 . 1 1 144 144 ARG H H 145 8.810 8.810 8.430 0.380 17842 14537 1 19 . 1 1 145 145 THR C C 146 172.708 172.708 174.316 -1.608 17842 14538 1 19 . 1 1 145 145 THR CA C 146 59.117 59.117 60.033 -0.916 17842 14539 1 19 . 1 1 145 145 THR CB C 146 70.345 70.345 69.976 0.369 17842 14540 1 19 . 1 1 146 146 ASN N N 147 120.236 120.236 118.786 1.450 17842 14541 1 19 . 1 1 146 146 ASN C C 147 175.341 175.341 175.990 -0.649 17842 14542 1 19 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.803 -1.923 17842 14543 1 19 . 1 1 146 146 ASN CB C 147 38.462 38.462 38.529 -0.067 17842 14544 1 19 . 1 1 146 146 ASN H H 147 8.259 8.259 8.553 -0.294 17842 14545 1 19 . 1 1 147 147 ALA N N 148 124.724 124.724 127.892 -3.168 17842 14546 1 19 . 1 1 147 147 ALA C C 148 176.378 176.378 177.303 -0.925 17842 14547 1 19 . 1 1 147 147 ALA CA C 148 52.179 52.179 52.680 -0.501 17842 14548 1 19 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.780 -1.154 17842 14549 1 19 . 1 1 147 147 ALA H H 148 8.256 8.256 8.616 -0.360 17842 14550 1 19 . 1 1 148 148 SER N N 149 115.670 115.670 112.877 2.793 17842 14551 1 19 . 1 1 148 148 SER C C 149 174.123 174.123 172.776 1.347 17842 14552 1 19 . 1 1 148 148 SER CA C 149 57.281 57.281 58.089 -0.808 17842 14553 1 19 . 1 1 148 148 SER CB C 149 64.685 64.685 64.915 -0.230 17842 14554 1 19 . 1 1 148 148 SER H H 149 8.372 8.372 8.460 -0.088 17842 14555 1 19 . 1 1 149 149 THR N N 150 115.292 115.292 114.617 0.675 17842 14556 1 19 . 1 1 149 149 THR C C 150 173.858 173.858 173.946 -0.088 17842 14557 1 19 . 1 1 149 149 THR CA C 150 61.189 61.189 61.887 -0.698 17842 14558 1 19 . 1 1 149 149 THR CB C 150 69.105 69.105 71.091 -1.986 17842 14559 1 19 . 1 1 149 149 THR H H 150 8.228 8.228 8.326 -0.098 17842 14560 1 19 . 1 1 150 150 GLU N N 151 123.244 123.244 125.488 -2.244 17842 14561 1 19 . 1 1 150 150 GLU C C 151 176.121 176.121 175.330 0.791 17842 14562 1 19 . 1 1 150 150 GLU CA C 151 56.002 56.002 56.818 -0.816 17842 14563 1 19 . 1 1 150 150 GLU CB C 151 29.931 29.931 28.630 1.301 17842 14564 1 19 . 1 1 150 150 GLU H H 151 8.186 8.186 8.816 -0.630 17842 14565 1 19 . 1 1 151 151 MET N N 152 121.600 121.600 121.614 -0.014 17842 14566 1 19 . 1 1 151 151 MET C C 152 175.810 175.810 176.686 -0.876 17842 14567 1 19 . 1 1 151 151 MET CA C 152 55.254 55.254 55.952 -0.698 17842 14568 1 19 . 1 1 151 151 MET CB C 152 33.247 33.247 34.180 -0.933 17842 14569 1 19 . 1 1 151 151 MET H H 152 8.248 8.248 8.374 -0.126 17842 14570 1 19 . 1 1 152 152 THR N N 153 117.486 117.486 115.167 2.319 17842 14571 1 19 . 1 1 152 152 THR C C 153 172.907 172.907 173.418 -0.511 17842 14572 1 19 . 1 1 152 152 THR CA C 153 59.365 59.365 59.568 -0.203 17842 14573 1 19 . 1 1 152 152 THR CB C 153 69.366 69.366 69.404 -0.039 17842 14574 1 19 . 1 1 152 152 THR H H 153 8.113 8.113 8.144 -0.031 17842 14575 1 19 . 1 1 155 155 GLY C C 156 174.620 174.620 174.205 0.415 17842 14576 1 19 . 1 1 155 155 GLY CA C 156 45.280 45.280 44.672 0.607 17842 14577 1 19 . 1 1 156 156 GLY N N 157 109.059 109.059 109.042 0.017 17842 14578 1 19 . 1 1 156 156 GLY C C 157 173.801 173.801 173.841 -0.040 17842 14579 1 19 . 1 1 156 156 GLY CA C 157 44.929 44.929 44.997 -0.068 17842 14580 1 19 . 1 1 156 156 GLY H H 157 8.175 8.175 8.380 -0.205 17842 14581 1 19 . 1 1 157 157 ASN N N 158 118.630 118.630 119.212 -0.582 17842 14582 1 19 . 1 1 157 157 ASN C C 158 175.025 175.025 174.307 0.718 17842 14583 1 19 . 1 1 157 157 ASN CA C 158 52.791 52.791 53.251 -0.459 17842 14584 1 19 . 1 1 157 157 ASN CB C 158 38.532 38.532 39.373 -0.841 17842 14585 1 19 . 1 1 157 157 ASN H H 158 8.114 8.114 8.018 0.096 17842 14586 1 19 . 1 1 158 158 LYS N N 159 121.755 121.755 120.656 1.099 17842 14587 1 19 . 1 1 158 158 LYS C C 159 176.361 176.361 175.649 0.712 17842 14588 1 19 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.417 0.055 17842 14589 1 19 . 1 1 158 158 LYS CB C 159 32.403 32.403 33.738 -1.335 17842 14590 1 19 . 1 1 158 158 LYS H H 159 8.169 8.169 7.680 0.489 17842 14591 1 19 . 1 1 159 159 LEU N N 160 123.084 123.084 121.748 1.336 17842 14592 1 19 . 1 1 159 159 LEU C C 160 177.408 177.408 175.111 2.297 17842 14593 1 19 . 1 1 159 159 LEU CA C 160 55.162 55.162 55.093 0.069 17842 14594 1 19 . 1 1 159 159 LEU CB C 160 42.690 42.690 41.528 1.162 17842 14595 1 19 . 1 1 159 159 LEU H H 160 8.173 8.173 8.680 -0.507 17842 14596 1 19 . 1 1 160 160 GLY N N 161 109.180 109.180 103.419 5.761 17842 14597 1 19 . 1 1 160 160 GLY C C 161 173.574 173.574 173.489 0.085 17842 14598 1 19 . 1 1 160 160 GLY CA C 161 44.877 44.877 44.261 0.616 17842 14599 1 19 . 1 1 160 160 GLY H H 161 8.117 8.117 7.719 0.398 17842 14600 1 19 . 1 1 161 161 SER N N 162 115.719 115.719 115.766 -0.047 17842 14601 1 19 . 1 1 161 161 SER C C 162 173.715 173.715 174.687 -0.972 17842 14602 1 19 . 1 1 161 161 SER CA C 162 57.965 57.965 58.178 -0.214 17842 14603 1 19 . 1 1 161 161 SER CB C 162 63.856 63.856 64.105 -0.249 17842 14604 1 19 . 1 1 161 161 SER H H 162 8.064 8.064 8.352 -0.288 17842 14605 1 19 . 1 1 162 162 LEU N N 163 123.433 123.433 120.971 2.462 17842 14606 1 19 . 1 1 162 162 LEU C C 163 175.609 175.609 176.853 -1.244 17842 14607 1 19 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.208 -0.823 17842 14608 1 19 . 1 1 162 162 LEU CB C 163 43.046 43.046 41.877 1.169 17842 14609 1 19 . 1 1 162 162 LEU H H 163 8.282 8.282 8.123 0.159 17842 14610 1 19 . 1 1 163 163 ASP N N 164 122.223 122.223 120.420 1.803 17842 14611 1 19 . 1 1 163 163 ASP C C 164 175.122 175.122 174.842 0.280 17842 14612 1 19 . 1 1 163 163 ASP CA C 164 53.400 53.400 54.731 -1.331 17842 14613 1 19 . 1 1 163 163 ASP CB C 164 41.200 41.200 41.020 0.180 17842 14614 1 19 . 1 1 163 163 ASP H H 164 8.356 8.356 8.401 -0.045 17842 14615 1 19 . 1 1 166 166 SER C C 167 172.472 172.472 174.493 -2.021 17842 14616 1 19 . 1 1 166 166 SER CA C 167 56.760 56.760 58.246 -1.486 17842 14617 1 19 . 1 1 167 167 SER N N 168 115.939 115.939 119.893 -3.954 17842 14618 1 19 . 1 1 167 167 SER C C 168 173.318 173.318 172.852 0.466 17842 14619 1 19 . 1 1 167 167 SER CA C 168 56.763 56.763 57.068 -0.305 17842 14620 1 19 . 1 1 167 167 SER CB C 168 65.286 65.286 65.085 0.201 17842 14621 1 19 . 1 1 167 167 SER H H 168 8.678 8.678 8.652 0.026 17842 14622 1 19 . 1 1 168 168 SER C C 169 172.500 172.500 173.415 -0.915 17842 14623 1 19 . 1 1 168 168 SER CA C 169 56.569 56.569 57.821 -1.252 17842 14624 1 19 . 1 1 168 168 SER CB C 169 65.738 65.738 63.822 1.916 17842 14625 1 19 . 1 1 169 169 GLN N N 170 122.951 122.951 122.478 0.473 17842 14626 1 19 . 1 1 169 169 GLN C C 170 174.697 174.697 174.948 -0.251 17842 14627 1 19 . 1 1 169 169 GLN CA C 170 54.038 54.038 55.429 -1.391 17842 14628 1 19 . 1 1 169 169 GLN CB C 170 32.383 32.383 32.908 -0.525 17842 14629 1 19 . 1 1 169 169 GLN H H 170 8.745 8.745 8.643 0.102 17842 14630 1 19 . 1 1 170 170 PHE N N 171 125.628 125.628 121.114 4.514 17842 14631 1 19 . 1 1 170 170 PHE C C 171 174.628 174.628 174.738 -0.110 17842 14632 1 19 . 1 1 170 170 PHE CA C 171 56.200 56.200 57.192 -0.992 17842 14633 1 19 . 1 1 170 170 PHE CB C 171 41.552 41.552 43.008 -1.456 17842 14634 1 19 . 1 1 170 170 PHE H H 171 7.771 7.771 8.437 -0.666 17842 14635 1 19 . 1 1 171 171 TYR N N 172 121.558 121.558 119.089 2.469 17842 14636 1 19 . 1 1 171 171 TYR C C 172 171.727 171.727 174.429 -2.702 17842 14637 1 19 . 1 1 171 171 TYR CA C 172 56.046 56.046 56.907 -0.861 17842 14638 1 19 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.093 0.346 17842 14639 1 19 . 1 1 171 171 TYR H H 172 8.696 8.696 9.131 -0.435 17842 14640 1 19 . 1 1 172 172 LEU N N 173 119.230 119.230 128.097 -8.867 17842 14641 1 19 . 1 1 172 172 LEU C C 173 176.352 176.352 174.784 1.568 17842 14642 1 19 . 1 1 172 172 LEU CA C 173 52.743 52.743 55.167 -2.424 17842 14643 1 19 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.448 0.089 17842 14644 1 19 . 1 1 172 172 LEU H H 173 8.971 8.971 8.728 0.243 17842 14645 1 19 . 1 1 173 173 GLY N N 174 107.248 107.248 111.076 -3.828 17842 14646 1 19 . 1 1 173 173 GLY C C 174 170.680 170.680 172.042 -1.362 17842 14647 1 19 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.066 -1.147 17842 14648 1 19 . 1 1 173 173 GLY H H 174 9.085 9.085 8.791 0.294 17842 14649 1 19 . 1 1 174 174 ALA N N 175 121.461 121.461 121.106 0.355 17842 14650 1 19 . 1 1 174 174 ALA C C 175 174.546 174.546 174.901 -0.355 17842 14651 1 19 . 1 1 174 174 ALA CA C 175 50.312 50.312 49.891 0.421 17842 14652 1 19 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.378 -0.735 17842 14653 1 19 . 1 1 174 174 ALA H H 175 8.575 8.575 8.118 0.457 17842 14654 1 19 . 1 1 175 175 ASN N N 176 117.370 117.370 116.798 0.572 17842 14655 1 19 . 1 1 175 175 ASN C C 176 173.370 173.370 172.954 0.416 17842 14656 1 19 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.416 -1.817 17842 14657 1 19 . 1 1 175 175 ASN CB C 176 41.957 41.957 41.884 0.073 17842 14658 1 19 . 1 1 175 175 ASN H H 176 8.762 8.762 8.210 0.552 17842 14659 1 19 . 1 1 176 176 TYR N N 177 122.724 122.724 128.164 -5.440 17842 14660 1 19 . 1 1 176 176 TYR C C 177 173.924 173.924 174.356 -0.432 17842 14661 1 19 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.456 -0.018 17842 14662 1 19 . 1 1 176 176 TYR CB C 177 42.401 42.401 41.549 0.852 17842 14663 1 19 . 1 1 176 176 TYR H H 177 9.570 9.570 9.400 0.170 17842 14664 1 19 . 1 1 177 177 LYS N N 178 127.067 127.067 127.191 -0.124 17842 14665 1 19 . 1 1 177 177 LYS C C 178 174.336 174.336 174.902 -0.566 17842 14666 1 19 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.948 -1.705 17842 14667 1 19 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.922 0.029 17842 14668 1 19 . 1 1 177 177 LYS H H 178 8.284 8.284 8.081 0.203 17842 14669 1 20 . 1 1 2 2 ASP N N 3 119.767 119.767 121.027 -1.260 17842 14670 1 20 . 1 1 2 2 ASP C C 3 175.809 175.809 174.655 1.154 17842 14671 1 20 . 1 1 2 2 ASP CA C 3 53.303 53.303 54.340 -1.037 17842 14672 1 20 . 1 1 2 2 ASP CB C 3 42.915 42.915 44.448 -1.533 17842 14673 1 20 . 1 1 2 2 ASP H H 3 8.443 8.443 8.483 -0.040 17842 14674 1 20 . 1 1 3 3 ASN N N 4 123.667 123.667 123.190 0.477 17842 14675 1 20 . 1 1 3 3 ASN C C 4 174.736 174.736 174.671 0.065 17842 14676 1 20 . 1 1 3 3 ASN CA C 4 52.911 52.911 54.336 -1.425 17842 14677 1 20 . 1 1 3 3 ASN CB C 4 39.160 39.160 40.200 -1.040 17842 14678 1 20 . 1 1 3 3 ASN H H 4 8.923 8.923 8.954 -0.031 17842 14679 1 20 . 1 1 4 4 PHE N N 5 118.447 118.447 119.366 -0.919 17842 14680 1 20 . 1 1 4 4 PHE C C 5 172.331 172.331 173.227 -0.896 17842 14681 1 20 . 1 1 4 4 PHE CA C 5 56.052 56.052 55.816 0.236 17842 14682 1 20 . 1 1 4 4 PHE CB C 5 42.863 42.863 42.351 0.512 17842 14683 1 20 . 1 1 4 4 PHE H H 5 8.910 8.910 8.875 0.035 17842 14684 1 20 . 1 1 5 5 VAL N N 6 116.195 116.195 119.924 -3.729 17842 14685 1 20 . 1 1 5 5 VAL C C 6 174.144 174.144 174.064 0.080 17842 14686 1 20 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.456 -1.927 17842 14687 1 20 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.191 0.627 17842 14688 1 20 . 1 1 5 5 VAL H H 6 8.903 8.903 9.065 -0.162 17842 14689 1 20 . 1 1 6 6 GLY N N 7 110.150 110.150 115.222 -5.072 17842 14690 1 20 . 1 1 6 6 GLY C C 7 170.825 170.825 171.886 -1.061 17842 14691 1 20 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.751 0.467 17842 14692 1 20 . 1 1 6 6 GLY H H 7 8.670 8.670 8.905 -0.235 17842 14693 1 20 . 1 1 7 7 LEU N N 8 120.059 120.059 118.910 1.149 17842 14694 1 20 . 1 1 7 7 LEU C C 8 175.596 175.596 174.736 0.860 17842 14695 1 20 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.534 -1.601 17842 14696 1 20 . 1 1 7 7 LEU CB C 8 47.663 47.663 46.832 0.831 17842 14697 1 20 . 1 1 7 7 LEU H H 8 8.562 8.562 8.053 0.509 17842 14698 1 20 . 1 1 8 8 THR N N 9 112.180 112.180 114.428 -2.248 17842 14699 1 20 . 1 1 8 8 THR C C 9 172.942 172.942 172.242 0.700 17842 14700 1 20 . 1 1 8 8 THR CA C 9 59.539 59.539 61.434 -1.895 17842 14701 1 20 . 1 1 8 8 THR CB C 9 70.735 70.735 70.721 0.014 17842 14702 1 20 . 1 1 8 8 THR H H 9 9.114 9.114 7.706 1.408 17842 14703 1 20 . 1 1 9 9 TRP N N 10 121.476 121.476 127.041 -5.565 17842 14704 1 20 . 1 1 9 9 TRP C C 10 174.622 174.622 175.191 -0.569 17842 14705 1 20 . 1 1 9 9 TRP CA C 10 56.418 56.418 56.084 0.334 17842 14706 1 20 . 1 1 9 9 TRP CB C 10 31.877 31.877 33.869 -1.992 17842 14707 1 20 . 1 1 9 9 TRP H H 10 9.022 9.022 8.680 0.342 17842 14708 1 20 . 1 1 10 10 GLY N N 11 112.750 112.750 111.396 1.354 17842 14709 1 20 . 1 1 10 10 GLY C C 11 171.655 171.655 172.325 -0.670 17842 14710 1 20 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.437 1.504 17842 14711 1 20 . 1 1 10 10 GLY H H 11 7.798 7.798 9.306 -1.508 17842 14712 1 20 . 1 1 11 11 GLU N N 12 117.292 117.292 121.671 -4.379 17842 14713 1 20 . 1 1 11 11 GLU C C 12 175.810 175.810 176.604 -0.794 17842 14714 1 20 . 1 1 11 11 GLU CA C 12 53.743 53.743 55.703 -1.960 17842 14715 1 20 . 1 1 11 11 GLU CB C 12 31.361 31.361 30.685 0.676 17842 14716 1 20 . 1 1 11 11 GLU H H 12 8.223 8.223 8.820 -0.597 17842 14717 1 20 . 1 1 12 12 THR N N 13 123.477 123.477 121.864 1.613 17842 14718 1 20 . 1 1 12 12 THR C C 13 174.233 174.233 174.307 -0.074 17842 14719 1 20 . 1 1 12 12 THR CA C 13 61.872 61.872 63.220 -1.348 17842 14720 1 20 . 1 1 12 12 THR CB C 13 69.374 69.374 69.461 -0.087 17842 14721 1 20 . 1 1 12 12 THR H H 13 8.722 8.722 8.517 0.205 17842 14722 1 20 . 1 1 13 13 SER N N 14 122.220 122.220 120.452 1.768 17842 14723 1 20 . 1 1 13 13 SER C C 14 173.577 173.577 173.578 -0.001 17842 14724 1 20 . 1 1 13 13 SER CA C 14 56.934 56.934 58.220 -1.286 17842 14725 1 20 . 1 1 13 13 SER CB C 14 64.249 64.249 64.225 0.023 17842 14726 1 20 . 1 1 13 13 SER H H 14 9.225 9.225 8.504 0.721 17842 14727 1 20 . 1 1 14 14 ASN N N 15 125.159 125.159 121.311 3.848 17842 14728 1 20 . 1 1 14 14 ASN C C 15 174.673 174.673 174.487 0.186 17842 14729 1 20 . 1 1 14 14 ASN CA C 15 51.888 51.888 53.788 -1.900 17842 14730 1 20 . 1 1 14 14 ASN CB C 15 39.777 39.777 38.851 0.926 17842 14731 1 20 . 1 1 14 14 ASN H H 15 8.745 8.745 8.505 0.240 17842 14732 1 20 . 1 1 15 15 ASN N N 16 120.330 120.330 119.891 0.439 17842 14733 1 20 . 1 1 15 15 ASN C C 16 175.886 175.886 175.833 0.053 17842 14734 1 20 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.356 -0.576 17842 14735 1 20 . 1 1 15 15 ASN CB C 16 38.595 38.595 39.607 -1.012 17842 14736 1 20 . 1 1 15 15 ASN H H 16 8.494 8.494 8.418 0.076 17842 14737 1 20 . 1 1 20 20 LYS C C 21 176.705 176.705 176.141 0.564 17842 14738 1 20 . 1 1 20 20 LYS CA C 21 56.683 56.683 57.924 -1.241 17842 14739 1 20 . 1 1 21 21 SER N N 22 115.966 115.966 112.166 3.800 17842 14740 1 20 . 1 1 21 21 SER C C 22 174.564 174.564 173.246 1.318 17842 14741 1 20 . 1 1 21 21 SER CA C 22 58.149 58.149 58.582 -0.433 17842 14742 1 20 . 1 1 21 21 SER CB C 22 63.308 63.308 63.427 -0.119 17842 14743 1 20 . 1 1 21 21 SER H H 22 8.053 8.053 8.242 -0.189 17842 14744 1 20 . 1 1 22 22 LEU N N 23 123.751 123.751 125.228 -1.477 17842 14745 1 20 . 1 1 22 22 LEU C C 23 176.968 176.968 175.232 1.736 17842 14746 1 20 . 1 1 22 22 LEU CA C 23 55.269 55.269 55.761 -0.492 17842 14747 1 20 . 1 1 22 22 LEU CB C 23 42.334 42.334 43.248 -0.914 17842 14748 1 20 . 1 1 22 22 LEU H H 23 8.006 8.006 7.823 0.183 17842 14749 1 20 . 1 1 23 23 ASN N N 24 118.937 118.937 121.780 -2.843 17842 14750 1 20 . 1 1 23 23 ASN C C 24 175.119 175.119 174.111 1.008 17842 14751 1 20 . 1 1 23 23 ASN CA C 24 52.993 52.993 53.900 -0.907 17842 14752 1 20 . 1 1 23 23 ASN CB C 24 38.255 38.255 38.828 -0.573 17842 14753 1 20 . 1 1 23 23 ASN H H 24 8.136 8.136 8.515 -0.379 17842 14754 1 20 . 1 1 24 24 ARG N N 25 121.500 121.500 121.157 0.343 17842 14755 1 20 . 1 1 24 24 ARG C C 25 175.849 175.849 174.912 0.937 17842 14756 1 20 . 1 1 24 24 ARG CA C 25 56.368 56.368 55.813 0.555 17842 14757 1 20 . 1 1 24 24 ARG CB C 25 30.366 30.366 30.341 0.025 17842 14758 1 20 . 1 1 24 24 ARG H H 25 8.097 8.097 8.503 -0.406 17842 14759 1 20 . 1 1 25 25 ASN N N 26 119.196 119.196 119.243 -0.047 17842 14760 1 20 . 1 1 25 25 ASN C C 26 175.122 175.122 175.383 -0.261 17842 14761 1 20 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.291 -0.230 17842 14762 1 20 . 1 1 25 25 ASN CB C 26 38.291 38.291 39.441 -1.151 17842 14763 1 20 . 1 1 25 25 ASN H H 26 8.278 8.278 8.369 -0.091 17842 14764 1 20 . 1 1 26 26 LEU N N 27 122.352 122.352 121.243 1.109 17842 14765 1 20 . 1 1 26 26 LEU C C 27 176.903 176.903 176.420 0.483 17842 14766 1 20 . 1 1 26 26 LEU CA C 27 55.326 55.326 55.476 -0.150 17842 14767 1 20 . 1 1 26 26 LEU CB C 27 42.186 42.186 41.949 0.237 17842 14768 1 20 . 1 1 26 26 LEU H H 27 7.992 7.992 8.341 -0.349 17842 14769 1 20 . 1 1 27 27 ASN N N 28 118.444 118.444 118.007 0.437 17842 14770 1 20 . 1 1 27 27 ASN C C 28 174.754 174.754 175.127 -0.373 17842 14771 1 20 . 1 1 27 27 ASN CA C 28 52.960 52.960 52.888 0.072 17842 14772 1 20 . 1 1 27 27 ASN CB C 28 38.419 38.419 39.636 -1.218 17842 14773 1 20 . 1 1 27 27 ASN H H 28 8.216 8.216 7.857 0.359 17842 14774 1 20 . 1 1 28 28 SER N N 29 116.471 116.471 120.181 -3.710 17842 14775 1 20 . 1 1 28 28 SER C C 29 172.778 172.778 173.391 -0.613 17842 14776 1 20 . 1 1 28 28 SER CA C 29 55.982 55.982 59.457 -3.475 17842 14777 1 20 . 1 1 28 28 SER CB C 29 63.179 63.179 62.843 0.336 17842 14778 1 20 . 1 1 28 28 SER H H 29 7.833 7.833 8.662 -0.829 17842 14779 1 20 . 1 1 29 29 PRO C C 30 176.535 176.535 175.837 0.698 17842 14780 1 20 . 1 1 29 29 PRO CA C 30 63.458 63.458 62.470 0.988 17842 14781 1 20 . 1 1 29 29 PRO CB C 30 31.672 31.672 32.204 -0.532 17842 14782 1 20 . 1 1 30 30 ASN N N 31 118.189 118.189 116.409 1.780 17842 14783 1 20 . 1 1 30 30 ASN C C 31 175.075 175.075 174.373 0.702 17842 14784 1 20 . 1 1 30 30 ASN CA C 31 53.051 53.051 53.427 -0.376 17842 14785 1 20 . 1 1 30 30 ASN CB C 31 38.277 38.277 39.033 -0.756 17842 14786 1 20 . 1 1 30 30 ASN H H 31 8.231 8.231 8.334 -0.103 17842 14787 1 20 . 1 1 31 31 LEU N N 32 122.838 122.838 120.308 2.530 17842 14788 1 20 . 1 1 31 31 LEU C C 32 176.800 176.800 175.951 0.849 17842 14789 1 20 . 1 1 31 31 LEU CA C 32 55.107 55.107 55.240 -0.133 17842 14790 1 20 . 1 1 31 31 LEU CB C 32 42.291 42.291 43.089 -0.798 17842 14791 1 20 . 1 1 31 31 LEU H H 32 8.011 8.011 8.482 -0.471 17842 14792 1 20 . 1 1 32 32 ASP N N 33 120.740 120.740 122.656 -1.916 17842 14793 1 20 . 1 1 32 32 ASP C C 33 175.863 175.863 176.502 -0.639 17842 14794 1 20 . 1 1 32 32 ASP CA C 33 54.331 54.331 55.092 -0.760 17842 14795 1 20 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.227 -0.469 17842 14796 1 20 . 1 1 32 32 ASP H H 33 8.151 8.151 8.691 -0.540 17842 14797 1 20 . 1 1 33 33 LYS N N 34 120.746 120.746 121.027 -0.281 17842 14798 1 20 . 1 1 33 33 LYS C C 34 175.912 175.912 176.486 -0.574 17842 14799 1 20 . 1 1 33 33 LYS CA C 34 55.865 55.865 56.485 -0.620 17842 14800 1 20 . 1 1 33 33 LYS CB C 34 32.738 32.738 32.812 -0.074 17842 14801 1 20 . 1 1 33 33 LYS H H 34 7.933 7.933 8.165 -0.232 17842 14802 1 20 . 1 1 34 34 VAL N N 35 121.590 121.590 118.410 3.180 17842 14803 1 20 . 1 1 34 34 VAL C C 35 175.691 175.691 174.872 0.819 17842 14804 1 20 . 1 1 34 34 VAL CA C 35 62.186 62.186 62.770 -0.584 17842 14805 1 20 . 1 1 34 34 VAL CB C 35 32.591 32.591 31.594 0.997 17842 14806 1 20 . 1 1 34 34 VAL H H 35 7.995 7.995 8.184 -0.189 17842 14807 1 20 . 1 1 35 35 ILE N N 36 124.025 124.025 117.092 6.933 17842 14808 1 20 . 1 1 35 35 ILE C C 36 175.266 175.266 175.190 0.076 17842 14809 1 20 . 1 1 35 35 ILE CA C 36 60.495 60.495 61.276 -0.781 17842 14810 1 20 . 1 1 35 35 ILE CB C 36 38.489 38.489 36.906 1.583 17842 14811 1 20 . 1 1 35 35 ILE H H 36 8.034 8.034 7.917 0.117 17842 14812 1 20 . 1 1 36 36 ASP N N 37 125.860 125.860 126.253 -0.393 17842 14813 1 20 . 1 1 36 36 ASP C C 37 175.014 175.014 174.174 0.840 17842 14814 1 20 . 1 1 36 36 ASP CA C 37 53.719 53.719 54.090 -0.371 17842 14815 1 20 . 1 1 36 36 ASP CB C 37 41.755 41.755 43.289 -1.534 17842 14816 1 20 . 1 1 36 36 ASP H H 37 8.190 8.190 8.196 -0.006 17842 14817 1 20 . 1 1 37 37 ASN N N 38 120.770 120.770 121.603 -0.833 17842 14818 1 20 . 1 1 37 37 ASN C C 38 174.821 174.821 174.735 0.086 17842 14819 1 20 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.094 0.063 17842 14820 1 20 . 1 1 37 37 ASN CB C 38 38.663 38.663 41.099 -2.436 17842 14821 1 20 . 1 1 37 37 ASN H H 38 8.334 8.334 8.242 0.092 17842 14822 1 20 . 1 1 38 38 THR N N 39 115.976 115.976 114.580 1.396 17842 14823 1 20 . 1 1 38 38 THR C C 39 175.226 175.226 174.123 1.103 17842 14824 1 20 . 1 1 38 38 THR CA C 39 62.215 62.215 62.459 -0.244 17842 14825 1 20 . 1 1 38 38 THR CB C 39 69.618 69.618 69.639 -0.021 17842 14826 1 20 . 1 1 38 38 THR H H 39 8.508 8.508 8.611 -0.103 17842 14827 1 20 . 1 1 39 39 GLY N N 40 115.818 115.818 111.114 4.704 17842 14828 1 20 . 1 1 39 39 GLY C C 40 172.862 172.862 172.782 0.080 17842 14829 1 20 . 1 1 39 39 GLY CA C 40 46.168 46.168 44.699 1.469 17842 14830 1 20 . 1 1 39 39 GLY H H 40 8.819 8.819 7.870 0.949 17842 14831 1 20 . 1 1 40 40 THR N N 41 119.787 119.787 113.205 6.582 17842 14832 1 20 . 1 1 40 40 THR C C 41 172.914 172.914 173.883 -0.969 17842 14833 1 20 . 1 1 40 40 THR CA C 41 61.321 61.321 60.598 0.723 17842 14834 1 20 . 1 1 40 40 THR CB C 41 71.499 71.499 69.950 1.550 17842 14835 1 20 . 1 1 40 40 THR H H 41 8.117 8.117 7.911 0.206 17842 14836 1 20 . 1 1 41 41 TRP N N 42 128.090 128.090 125.696 2.394 17842 14837 1 20 . 1 1 41 41 TRP C C 42 174.627 174.627 174.476 0.151 17842 14838 1 20 . 1 1 41 41 TRP CA C 42 55.122 55.122 54.460 0.662 17842 14839 1 20 . 1 1 41 41 TRP CB C 42 31.905 31.905 32.111 -0.206 17842 14840 1 20 . 1 1 41 41 TRP H H 42 8.178 8.178 8.509 -0.331 17842 14841 1 20 . 1 1 42 42 GLY N N 43 109.883 109.883 105.988 3.895 17842 14842 1 20 . 1 1 42 42 GLY C C 43 172.317 172.317 172.094 0.223 17842 14843 1 20 . 1 1 42 42 GLY CA C 43 44.176 44.176 45.139 -0.964 17842 14844 1 20 . 1 1 42 42 GLY H H 43 8.892 8.892 7.755 1.137 17842 14845 1 20 . 1 1 43 43 ILE N N 44 118.005 118.005 119.084 -1.079 17842 14846 1 20 . 1 1 43 43 ILE C C 44 173.071 173.071 174.410 -1.339 17842 14847 1 20 . 1 1 43 43 ILE CA C 44 58.606 58.606 60.306 -1.700 17842 14848 1 20 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.832 0.298 17842 14849 1 20 . 1 1 43 43 ILE H H 44 8.879 8.879 7.732 1.147 17842 14850 1 20 . 1 1 44 44 ARG N N 45 120.855 120.855 121.681 -0.826 17842 14851 1 20 . 1 1 44 44 ARG C C 45 174.942 174.942 174.582 0.360 17842 14852 1 20 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.813 -1.925 17842 14853 1 20 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.668 -0.716 17842 14854 1 20 . 1 1 44 44 ARG H H 45 8.708 8.708 9.029 -0.321 17842 14855 1 20 . 1 1 45 45 ALA N N 46 119.127 119.127 127.653 -8.526 17842 14856 1 20 . 1 1 45 45 ALA C C 46 175.693 175.693 174.847 0.846 17842 14857 1 20 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.125 -1.505 17842 14858 1 20 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.916 -0.134 17842 14859 1 20 . 1 1 45 45 ALA H H 46 8.419 8.419 8.509 -0.090 17842 14860 1 20 . 1 1 46 46 GLY N N 47 107.350 107.350 109.580 -2.230 17842 14861 1 20 . 1 1 46 46 GLY C C 47 171.353 171.353 171.077 0.276 17842 14862 1 20 . 1 1 46 46 GLY CA C 47 45.630 45.630 45.045 0.585 17842 14863 1 20 . 1 1 46 46 GLY H H 47 7.819 7.819 8.792 -0.973 17842 14864 1 20 . 1 1 47 47 GLN N N 48 118.061 118.061 117.551 0.510 17842 14865 1 20 . 1 1 47 47 GLN C C 48 173.671 173.671 174.485 -0.814 17842 14866 1 20 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.266 0.099 17842 14867 1 20 . 1 1 47 47 GLN CB C 48 32.912 32.912 31.228 1.684 17842 14868 1 20 . 1 1 47 47 GLN H H 48 8.483 8.483 7.896 0.587 17842 14869 1 20 . 1 1 48 48 GLN N N 49 122.691 122.691 124.289 -1.598 17842 14870 1 20 . 1 1 48 48 GLN C C 49 173.291 173.291 174.755 -1.464 17842 14871 1 20 . 1 1 48 48 GLN CA C 49 54.593 54.593 56.306 -1.714 17842 14872 1 20 . 1 1 48 48 GLN CB C 49 30.750 30.750 31.323 -0.573 17842 14873 1 20 . 1 1 48 48 GLN H H 49 9.319 9.319 9.372 -0.053 17842 14874 1 20 . 1 1 49 49 PHE N N 50 126.379 126.379 124.493 1.886 17842 14875 1 20 . 1 1 49 49 PHE C C 50 175.918 175.918 176.468 -0.550 17842 14876 1 20 . 1 1 49 49 PHE CA C 50 55.013 55.013 56.626 -1.613 17842 14877 1 20 . 1 1 49 49 PHE CB C 50 39.974 39.974 42.674 -2.700 17842 14878 1 20 . 1 1 49 49 PHE H H 50 8.781 8.781 9.508 -0.727 17842 14879 1 20 . 1 1 50 50 GLU N N 51 121.087 121.087 120.220 0.867 17842 14880 1 20 . 1 1 50 50 GLU C C 51 178.452 178.452 176.501 1.951 17842 14881 1 20 . 1 1 50 50 GLU CA C 51 60.435 60.435 59.139 1.296 17842 14882 1 20 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.960 -1.274 17842 14883 1 20 . 1 1 50 50 GLU H H 51 8.975 8.975 8.588 0.387 17842 14884 1 20 . 1 1 51 51 GLN N N 52 111.198 111.198 117.140 -5.942 17842 14885 1 20 . 1 1 51 51 GLN C C 52 176.031 176.031 174.711 1.320 17842 14886 1 20 . 1 1 51 51 GLN CA C 52 55.836 55.836 54.600 1.236 17842 14887 1 20 . 1 1 51 51 GLN CB C 52 28.617 28.617 29.695 -1.078 17842 14888 1 20 . 1 1 51 51 GLN H H 52 7.955 7.955 8.352 -0.397 17842 14889 1 20 . 1 1 52 52 GLY N N 53 110.800 110.800 106.110 4.690 17842 14890 1 20 . 1 1 52 52 GLY C C 53 169.076 169.076 171.947 -2.871 17842 14891 1 20 . 1 1 52 52 GLY CA C 53 45.303 45.303 45.688 -0.385 17842 14892 1 20 . 1 1 52 52 GLY H H 53 6.696 6.696 7.547 -0.851 17842 14893 1 20 . 1 1 53 53 ARG N N 54 111.857 111.857 119.404 -7.547 17842 14894 1 20 . 1 1 53 53 ARG C C 54 172.397 172.397 174.129 -1.732 17842 14895 1 20 . 1 1 53 53 ARG CA C 54 54.227 54.227 55.647 -1.420 17842 14896 1 20 . 1 1 53 53 ARG CB C 54 31.755 31.755 35.469 -3.714 17842 14897 1 20 . 1 1 53 53 ARG H H 54 8.216 8.216 9.089 -0.873 17842 14898 1 20 . 1 1 54 54 TYR N N 55 116.379 116.379 124.538 -8.159 17842 14899 1 20 . 1 1 54 54 TYR C C 55 175.461 175.461 174.633 0.828 17842 14900 1 20 . 1 1 54 54 TYR CA C 55 55.296 55.296 55.724 -0.428 17842 14901 1 20 . 1 1 54 54 TYR CB C 55 41.539 41.539 43.454 -1.915 17842 14902 1 20 . 1 1 54 54 TYR H H 55 8.477 8.477 8.925 -0.448 17842 14903 1 20 . 1 1 55 55 TYR N N 56 114.651 114.651 118.526 -3.875 17842 14904 1 20 . 1 1 55 55 TYR C C 56 173.431 173.431 172.954 0.477 17842 14905 1 20 . 1 1 55 55 TYR CA C 56 55.886 55.886 57.371 -1.485 17842 14906 1 20 . 1 1 55 55 TYR CB C 56 37.595 37.595 39.068 -1.473 17842 14907 1 20 . 1 1 55 55 TYR H H 56 8.221 8.221 7.883 0.338 17842 14908 1 20 . 1 1 56 56 ALA N N 57 125.460 125.460 126.319 -0.859 17842 14909 1 20 . 1 1 56 56 ALA C C 57 175.737 175.737 176.659 -0.922 17842 14910 1 20 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.361 -1.214 17842 14911 1 20 . 1 1 56 56 ALA CB C 57 20.777 20.777 21.301 -0.524 17842 14912 1 20 . 1 1 56 56 ALA H H 57 9.034 9.034 8.910 0.124 17842 14913 1 20 . 1 1 57 57 THR N N 58 116.923 116.923 113.815 3.108 17842 14914 1 20 . 1 1 57 57 THR C C 58 173.462 173.462 173.840 -0.378 17842 14915 1 20 . 1 1 57 57 THR CA C 58 61.458 61.458 60.306 1.152 17842 14916 1 20 . 1 1 57 57 THR CB C 58 71.683 71.683 70.894 0.788 17842 14917 1 20 . 1 1 57 57 THR H H 58 8.907 8.907 8.753 0.154 17842 14918 1 20 . 1 1 58 58 TYR N N 59 126.784 126.784 126.252 0.532 17842 14919 1 20 . 1 1 58 58 TYR C C 59 173.954 173.954 174.769 -0.815 17842 14920 1 20 . 1 1 58 58 TYR CA C 59 55.682 55.682 57.909 -2.227 17842 14921 1 20 . 1 1 58 58 TYR CB C 59 41.320 41.320 38.201 3.119 17842 14922 1 20 . 1 1 58 58 TYR H H 59 8.974 8.974 8.494 0.480 17842 14923 1 20 . 1 1 59 59 GLU N N 60 124.211 124.211 122.442 1.769 17842 14924 1 20 . 1 1 59 59 GLU C C 60 173.989 173.989 175.286 -1.297 17842 14925 1 20 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.490 -1.566 17842 14926 1 20 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.423 0.319 17842 14927 1 20 . 1 1 59 59 GLU H H 60 8.049 8.049 8.878 -0.829 17842 14928 1 20 . 1 1 60 60 ASN N N 61 118.358 118.358 119.823 -1.465 17842 14929 1 20 . 1 1 60 60 ASN C C 61 173.609 173.609 173.461 0.148 17842 14930 1 20 . 1 1 60 60 ASN CA C 61 52.281 52.281 53.530 -1.249 17842 14931 1 20 . 1 1 60 60 ASN H H 61 8.155 8.155 8.320 -0.165 17842 14932 1 20 . 1 1 61 61 ILE C C 62 174.902 174.902 176.198 -1.296 17842 14933 1 20 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.122 0.858 17842 14934 1 20 . 1 1 61 61 ILE CB C 62 40.772 40.772 38.756 2.016 17842 14935 1 20 . 1 1 62 62 SER N N 63 121.368 121.368 121.079 0.289 17842 14936 1 20 . 1 1 62 62 SER C C 63 173.027 173.027 173.422 -0.395 17842 14937 1 20 . 1 1 62 62 SER CA C 63 57.295 57.295 58.168 -0.873 17842 14938 1 20 . 1 1 62 62 SER CB C 63 64.306 64.306 64.947 -0.641 17842 14939 1 20 . 1 1 62 62 SER H H 63 8.339 8.339 8.489 -0.150 17842 14940 1 20 . 1 1 63 63 ASP N N 64 124.300 124.300 123.735 0.565 17842 14941 1 20 . 1 1 63 63 ASP C C 64 176.570 176.570 175.411 1.159 17842 14942 1 20 . 1 1 63 63 ASP CA C 64 53.291 53.291 54.277 -0.986 17842 14943 1 20 . 1 1 63 63 ASP CB C 64 42.484 42.484 41.118 1.366 17842 14944 1 20 . 1 1 63 63 ASP H H 64 8.596 8.596 8.691 -0.095 17842 14945 1 20 . 1 1 64 64 THR N N 65 116.756 116.756 112.776 3.980 17842 14946 1 20 . 1 1 64 64 THR C C 65 175.975 175.975 175.840 0.135 17842 14947 1 20 . 1 1 64 64 THR CA C 65 61.608 61.608 60.646 0.962 17842 14948 1 20 . 1 1 64 64 THR CB C 65 68.856 68.856 70.596 -1.740 17842 14949 1 20 . 1 1 64 64 THR H H 65 8.581 8.581 7.592 0.989 17842 14950 1 20 . 1 1 65 65 SER N N 66 119.276 119.276 115.717 3.559 17842 14951 1 20 . 1 1 65 65 SER CA C 66 59.728 59.728 59.793 -0.065 17842 14952 1 20 . 1 1 65 65 SER CB C 66 63.514 63.514 63.401 0.113 17842 14953 1 20 . 1 1 65 65 SER H H 66 8.492 8.492 8.512 -0.020 17842 14954 1 20 . 1 1 66 66 SER C C 67 175.122 175.122 175.509 -0.387 17842 14955 1 20 . 1 1 66 66 SER CA C 67 58.554 58.554 60.178 -1.624 17842 14956 1 20 . 1 1 67 67 GLY N N 68 110.266 110.266 108.293 1.973 17842 14957 1 20 . 1 1 67 67 GLY C C 68 173.832 173.832 174.082 -0.250 17842 14958 1 20 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.900 0.307 17842 14959 1 20 . 1 1 67 67 GLY H H 68 8.184 8.184 8.058 0.126 17842 14960 1 20 . 1 1 68 68 ASN N N 69 118.584 118.584 120.531 -1.947 17842 14961 1 20 . 1 1 68 68 ASN C C 69 174.239 174.239 174.886 -0.647 17842 14962 1 20 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.702 0.028 17842 14963 1 20 . 1 1 68 68 ASN CB C 69 38.938 38.938 38.724 0.214 17842 14964 1 20 . 1 1 68 68 ASN H H 69 7.972 7.972 8.407 -0.435 17842 14965 1 20 . 1 1 72 72 GLN C C 73 173.610 173.610 174.567 -0.957 17842 14966 1 20 . 1 1 72 72 GLN CA C 73 53.449 53.449 55.094 -1.645 17842 14967 1 20 . 1 1 73 73 GLN N N 74 123.659 123.659 120.950 2.709 17842 14968 1 20 . 1 1 73 73 GLN C C 74 173.276 173.276 173.374 -0.098 17842 14969 1 20 . 1 1 73 73 GLN CA C 74 53.544 53.544 55.302 -1.758 17842 14970 1 20 . 1 1 73 73 GLN CB C 74 34.344 34.344 34.389 -0.044 17842 14971 1 20 . 1 1 73 73 GLN H H 74 8.697 8.697 8.260 0.437 17842 14972 1 20 . 1 1 74 74 ASN N N 75 118.720 118.720 120.405 -1.685 17842 14973 1 20 . 1 1 74 74 ASN C C 75 173.733 173.733 173.045 0.688 17842 14974 1 20 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.965 -2.696 17842 14975 1 20 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.102 -1.032 17842 14976 1 20 . 1 1 74 74 ASN H H 75 8.295 8.295 8.212 0.083 17842 14977 1 20 . 1 1 75 75 LEU N N 76 124.353 124.353 126.723 -2.370 17842 14978 1 20 . 1 1 75 75 LEU C C 76 174.267 174.267 174.895 -0.628 17842 14979 1 20 . 1 1 75 75 LEU CA C 76 53.916 53.916 54.149 -0.233 17842 14980 1 20 . 1 1 75 75 LEU CB C 76 44.633 44.633 44.201 0.432 17842 14981 1 20 . 1 1 75 75 LEU H H 76 8.847 8.847 8.365 0.482 17842 14982 1 20 . 1 1 76 76 LEU N N 77 124.437 124.437 122.459 1.978 17842 14983 1 20 . 1 1 76 76 LEU C C 77 175.188 175.188 175.380 -0.192 17842 14984 1 20 . 1 1 76 76 LEU CA C 77 52.934 52.934 54.386 -1.452 17842 14985 1 20 . 1 1 76 76 LEU CB C 77 45.115 45.115 46.280 -1.165 17842 14986 1 20 . 1 1 76 76 LEU H H 77 9.222 9.222 7.918 1.304 17842 14987 1 20 . 1 1 77 77 GLY N N 78 107.288 107.288 108.631 -1.343 17842 14988 1 20 . 1 1 77 77 GLY C C 78 171.733 171.733 172.893 -1.160 17842 14989 1 20 . 1 1 77 77 GLY CA C 78 44.160 44.160 43.796 0.364 17842 14990 1 20 . 1 1 77 77 GLY H H 78 9.132 9.132 9.131 0.001 17842 14991 1 20 . 1 1 78 78 SER N N 79 117.437 117.437 121.189 -3.752 17842 14992 1 20 . 1 1 78 78 SER C C 79 171.279 171.279 172.140 -0.861 17842 14993 1 20 . 1 1 78 78 SER CA C 79 57.272 57.272 57.938 -0.666 17842 14994 1 20 . 1 1 78 78 SER CB C 79 65.596 65.596 64.153 1.443 17842 14995 1 20 . 1 1 78 78 SER H H 79 8.210 8.210 8.331 -0.121 17842 14996 1 20 . 1 1 79 79 TYR N N 80 122.901 122.901 128.771 -5.870 17842 14997 1 20 . 1 1 79 79 TYR C C 80 173.757 173.757 173.066 0.691 17842 14998 1 20 . 1 1 79 79 TYR CA C 80 56.243 56.243 55.752 0.491 17842 14999 1 20 . 1 1 79 79 TYR CB C 80 42.570 42.570 41.197 1.373 17842 15000 1 20 . 1 1 79 79 TYR H H 80 8.092 8.092 9.102 -1.010 17842 15001 1 20 . 1 1 80 80 ASP N N 81 122.808 122.808 124.597 -1.789 17842 15002 1 20 . 1 1 80 80 ASP C C 81 173.607 173.607 172.993 0.614 17842 15003 1 20 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.696 -0.031 17842 15004 1 20 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.298 0.489 17842 15005 1 20 . 1 1 80 80 ASP H H 81 8.268 8.268 8.828 -0.560 17842 15006 1 20 . 1 1 81 81 ALA N N 82 121.201 121.201 120.357 0.844 17842 15007 1 20 . 1 1 81 81 ALA C C 82 177.094 177.094 176.283 0.811 17842 15008 1 20 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.730 -0.985 17842 15009 1 20 . 1 1 81 81 ALA CB C 82 21.511 21.511 21.054 0.457 17842 15010 1 20 . 1 1 81 81 ALA H H 82 8.931 8.931 8.189 0.742 17842 15011 1 20 . 1 1 82 82 PHE N N 83 116.305 116.305 121.534 -5.229 17842 15012 1 20 . 1 1 82 82 PHE C C 83 176.299 176.299 174.013 2.286 17842 15013 1 20 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.934 -3.270 17842 15014 1 20 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.489 0.632 17842 15015 1 20 . 1 1 82 82 PHE H H 83 7.404 7.404 8.397 -0.993 17842 15016 1 20 . 1 1 83 83 LEU N N 84 122.208 122.208 121.021 1.187 17842 15017 1 20 . 1 1 83 83 LEU C C 84 173.599 173.599 174.723 -1.124 17842 15018 1 20 . 1 1 83 83 LEU CA C 84 51.874 51.874 51.564 0.310 17842 15019 1 20 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.192 -0.826 17842 15020 1 20 . 1 1 83 83 LEU H H 84 9.049 9.049 8.278 0.771 17842 15021 1 20 . 1 1 84 84 PRO C C 85 175.877 175.877 176.049 -0.172 17842 15022 1 20 . 1 1 84 84 PRO CA C 85 63.041 63.041 62.788 0.253 17842 15023 1 20 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.393 0.093 17842 15024 1 20 . 1 1 85 85 ILE N N 86 119.588 119.588 125.989 -6.401 17842 15025 1 20 . 1 1 85 85 ILE C C 86 175.749 175.749 175.901 -0.152 17842 15026 1 20 . 1 1 85 85 ILE CA C 86 59.267 59.267 58.765 0.502 17842 15027 1 20 . 1 1 85 85 ILE CB C 86 39.835 39.835 36.094 3.740 17842 15028 1 20 . 1 1 85 85 ILE H H 86 8.205 8.205 8.369 -0.164 17842 15029 1 20 . 1 1 86 86 GLY N N 87 112.396 112.396 116.020 -3.624 17842 15030 1 20 . 1 1 86 86 GLY C C 87 174.218 174.218 173.911 0.307 17842 15031 1 20 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.633 0.059 17842 15032 1 20 . 1 1 86 86 GLY H H 87 8.364 8.364 8.936 -0.572 17842 15033 1 20 . 1 1 87 87 ASP N N 88 122.109 122.109 122.287 -0.178 17842 15034 1 20 . 1 1 87 87 ASP C C 88 175.839 175.839 176.508 -0.669 17842 15035 1 20 . 1 1 87 87 ASP CA C 88 53.535 53.535 55.002 -1.467 17842 15036 1 20 . 1 1 87 87 ASP CB C 88 41.132 41.132 42.864 -1.732 17842 15037 1 20 . 1 1 87 87 ASP H H 88 8.249 8.249 8.303 -0.054 17842 15038 1 20 . 1 1 88 88 ASN N N 89 116.308 116.308 117.617 -1.309 17842 15039 1 20 . 1 1 88 88 ASN C C 89 175.100 175.100 173.978 1.122 17842 15040 1 20 . 1 1 88 88 ASN CA C 89 53.922 53.922 53.886 0.036 17842 15041 1 20 . 1 1 88 88 ASN CB C 89 38.183 38.183 39.458 -1.275 17842 15042 1 20 . 1 1 88 88 ASN H H 89 8.449 8.449 7.889 0.560 17842 15043 1 20 . 1 1 89 89 ASN N N 90 115.987 115.987 117.299 -1.312 17842 15044 1 20 . 1 1 89 89 ASN C C 90 173.909 173.909 173.295 0.614 17842 15045 1 20 . 1 1 89 89 ASN CA C 90 54.386 54.386 54.417 -0.031 17842 15046 1 20 . 1 1 89 89 ASN CB C 90 37.657 37.657 37.441 0.216 17842 15047 1 20 . 1 1 89 89 ASN H H 90 8.477 8.477 8.742 -0.265 17842 15048 1 20 . 1 1 90 90 THR N N 91 116.991 116.991 109.938 7.053 17842 15049 1 20 . 1 1 90 90 THR C C 91 173.763 173.763 173.327 0.436 17842 15050 1 20 . 1 1 90 90 THR CA C 91 62.170 62.170 60.848 1.322 17842 15051 1 20 . 1 1 90 90 THR CB C 91 68.706 68.706 72.839 -4.133 17842 15052 1 20 . 1 1 90 90 THR H H 91 7.600 7.600 7.543 0.057 17842 15053 1 20 . 1 1 91 91 LYS N N 92 124.349 124.349 124.304 0.045 17842 15054 1 20 . 1 1 91 91 LYS C C 92 175.815 175.815 176.702 -0.887 17842 15055 1 20 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.082 -0.676 17842 15056 1 20 . 1 1 91 91 LYS CB C 92 34.498 34.498 34.026 0.472 17842 15057 1 20 . 1 1 91 91 LYS H H 92 9.249 9.249 8.603 0.646 17842 15058 1 20 . 1 1 92 92 LEU N N 93 123.462 123.462 128.957 -5.495 17842 15059 1 20 . 1 1 92 92 LEU C C 93 176.260 176.260 175.905 0.355 17842 15060 1 20 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.129 -1.300 17842 15061 1 20 . 1 1 92 92 LEU CB C 93 43.614 43.614 42.045 1.569 17842 15062 1 20 . 1 1 92 92 LEU H H 93 8.650 8.650 8.152 0.498 17842 15063 1 20 . 1 1 93 93 PHE N N 94 119.497 119.497 121.305 -1.808 17842 15064 1 20 . 1 1 93 93 PHE C C 94 173.154 173.154 175.053 -1.899 17842 15065 1 20 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.707 0.429 17842 15066 1 20 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.312 1.780 17842 15067 1 20 . 1 1 93 93 PHE H H 94 8.485 8.485 7.625 0.860 17842 15068 1 20 . 1 1 94 94 GLY N N 95 105.945 105.945 107.162 -1.217 17842 15069 1 20 . 1 1 94 94 GLY C C 95 171.815 171.815 172.528 -0.713 17842 15070 1 20 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.490 -1.108 17842 15071 1 20 . 1 1 94 94 GLY H H 95 8.256 8.256 8.159 0.097 17842 15072 1 20 . 1 1 95 95 GLY N N 96 110.432 110.432 110.328 0.104 17842 15073 1 20 . 1 1 95 95 GLY C C 96 171.826 171.826 172.006 -0.180 17842 15074 1 20 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.984 0.902 17842 15075 1 20 . 1 1 95 95 GLY H H 96 9.005 9.005 8.849 0.156 17842 15076 1 20 . 1 1 96 96 ALA N N 97 117.509 117.509 121.412 -3.903 17842 15077 1 20 . 1 1 96 96 ALA C C 97 176.928 176.928 175.310 1.618 17842 15078 1 20 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.189 -0.788 17842 15079 1 20 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.650 0.775 17842 15080 1 20 . 1 1 96 96 ALA H H 97 8.039 8.039 8.704 -0.665 17842 15081 1 20 . 1 1 97 97 THR N N 98 118.891 118.891 110.158 8.733 17842 15082 1 20 . 1 1 97 97 THR C C 98 172.492 172.492 173.603 -1.111 17842 15083 1 20 . 1 1 97 97 THR CA C 98 61.730 61.730 60.813 0.917 17842 15084 1 20 . 1 1 97 97 THR CB C 98 73.046 73.046 72.045 1.001 17842 15085 1 20 . 1 1 97 97 THR H H 98 8.379 8.379 8.132 0.247 17842 15086 1 20 . 1 1 98 98 LEU N N 99 124.958 124.958 121.850 3.108 17842 15087 1 20 . 1 1 98 98 LEU C C 99 175.753 175.753 175.413 0.340 17842 15088 1 20 . 1 1 98 98 LEU CA C 99 53.474 53.474 55.449 -1.975 17842 15089 1 20 . 1 1 98 98 LEU CB C 99 47.243 47.243 46.549 0.694 17842 15090 1 20 . 1 1 98 98 LEU H H 99 8.880 8.880 8.327 0.553 17842 15091 1 20 . 1 1 99 99 GLY N N 100 106.645 106.645 110.350 -3.705 17842 15092 1 20 . 1 1 99 99 GLY C C 100 169.886 169.886 171.990 -2.104 17842 15093 1 20 . 1 1 99 99 GLY CA C 100 46.631 46.631 44.655 1.976 17842 15094 1 20 . 1 1 99 99 GLY H H 100 8.635 8.635 8.509 0.126 17842 15095 1 20 . 1 1 100 100 LEU N N 101 121.823 121.823 118.883 2.940 17842 15096 1 20 . 1 1 100 100 LEU C C 101 174.876 174.876 174.636 0.240 17842 15097 1 20 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.538 -1.467 17842 15098 1 20 . 1 1 100 100 LEU CB C 101 46.646 46.646 46.763 -0.117 17842 15099 1 20 . 1 1 100 100 LEU H H 101 9.088 9.088 8.848 0.240 17842 15100 1 20 . 1 1 101 101 VAL N N 102 118.857 118.857 123.069 -4.212 17842 15101 1 20 . 1 1 101 101 VAL C C 102 174.015 174.015 173.957 0.058 17842 15102 1 20 . 1 1 101 101 VAL CA C 102 59.666 59.666 60.136 -0.470 17842 15103 1 20 . 1 1 101 101 VAL CB C 102 35.406 35.406 33.821 1.585 17842 15104 1 20 . 1 1 101 101 VAL H H 102 8.291 8.291 8.550 -0.259 17842 15105 1 20 . 1 1 102 102 LYS N N 103 126.552 126.552 129.870 -3.318 17842 15106 1 20 . 1 1 102 102 LYS C C 103 174.712 174.712 174.103 0.609 17842 15107 1 20 . 1 1 102 102 LYS CA C 103 54.433 54.433 55.690 -1.257 17842 15108 1 20 . 1 1 102 102 LYS CB C 103 35.733 35.733 33.803 1.930 17842 15109 1 20 . 1 1 102 102 LYS H H 103 9.141 9.141 8.310 0.831 17842 15110 1 20 . 1 1 103 103 LEU N N 104 129.605 129.605 125.964 3.641 17842 15111 1 20 . 1 1 103 103 LEU C C 104 175.344 175.344 174.952 0.392 17842 15112 1 20 . 1 1 103 103 LEU CA C 104 53.492 53.492 54.020 -0.527 17842 15113 1 20 . 1 1 103 103 LEU CB C 104 45.004 45.004 46.497 -1.493 17842 15114 1 20 . 1 1 103 103 LEU H H 104 8.921 8.921 8.030 0.891 17842 15115 1 20 . 1 1 104 104 GLU C C 105 174.715 174.715 175.320 -0.605 17842 15116 1 20 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.527 -0.901 17842 15117 1 20 . 1 1 104 104 GLU CB C 105 33.055 33.055 32.372 0.683 17842 15118 1 20 . 1 1 105 105 GLN N N 106 121.991 121.991 121.469 0.522 17842 15119 1 20 . 1 1 105 105 GLN C C 106 175.002 175.002 175.385 -0.383 17842 15120 1 20 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.188 -0.509 17842 15121 1 20 . 1 1 105 105 GLN CB C 106 30.252 30.252 31.052 -0.800 17842 15122 1 20 . 1 1 105 105 GLN H H 106 8.532 8.532 8.406 0.126 17842 15123 1 20 . 1 1 106 106 ASP N N 107 123.884 123.884 121.044 2.840 17842 15124 1 20 . 1 1 106 106 ASP C C 107 176.352 176.352 176.601 -0.249 17842 15125 1 20 . 1 1 106 106 ASP CA C 107 54.108 54.108 54.847 -0.739 17842 15126 1 20 . 1 1 106 106 ASP CB C 107 41.448 41.448 41.188 0.260 17842 15127 1 20 . 1 1 106 106 ASP H H 107 8.414 8.414 8.729 -0.315 17842 15128 1 20 . 1 1 107 107 GLY N N 108 110.294 110.294 106.794 3.500 17842 15129 1 20 . 1 1 107 107 GLY C C 108 174.111 174.111 173.360 0.751 17842 15130 1 20 . 1 1 107 107 GLY CA C 108 44.992 44.992 44.559 0.433 17842 15131 1 20 . 1 1 107 107 GLY H H 108 8.226 8.226 7.911 0.315 17842 15132 1 20 . 1 1 108 108 LYS N N 109 121.045 121.045 124.159 -3.114 17842 15133 1 20 . 1 1 108 108 LYS C C 109 176.988 176.988 177.743 -0.755 17842 15134 1 20 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.487 -0.244 17842 15135 1 20 . 1 1 108 108 LYS CB C 109 31.957 31.957 33.232 -1.275 17842 15136 1 20 . 1 1 108 108 LYS H H 109 8.130 8.130 8.626 -0.496 17842 15137 1 20 . 1 1 109 109 GLY N N 110 109.975 109.975 110.088 -0.113 17842 15138 1 20 . 1 1 109 109 GLY C C 110 173.856 173.856 175.301 -1.445 17842 15139 1 20 . 1 1 109 109 GLY CA C 110 44.969 44.969 45.541 -0.572 17842 15140 1 20 . 1 1 109 109 GLY H H 110 8.313 8.313 8.431 -0.118 17842 15141 1 20 . 1 1 110 110 PHE N N 111 119.873 119.873 121.306 -1.433 17842 15142 1 20 . 1 1 110 110 PHE C C 111 175.195 175.195 176.082 -0.887 17842 15143 1 20 . 1 1 110 110 PHE CA C 111 57.334 57.334 56.967 0.367 17842 15144 1 20 . 1 1 110 110 PHE CB C 111 39.311 39.311 40.161 -0.850 17842 15145 1 20 . 1 1 110 110 PHE H H 111 7.848 7.848 8.035 -0.187 17842 15146 1 20 . 1 1 111 111 LYS N N 112 122.900 122.900 124.214 -1.314 17842 15147 1 20 . 1 1 111 111 LYS C C 112 175.898 175.898 176.214 -0.316 17842 15148 1 20 . 1 1 111 111 LYS CA C 112 55.928 55.928 56.140 -0.212 17842 15149 1 20 . 1 1 111 111 LYS CB C 112 32.741 32.741 31.788 0.953 17842 15150 1 20 . 1 1 111 111 LYS H H 112 8.073 8.073 8.387 -0.314 17842 15151 1 20 . 1 1 112 112 ARG N N 113 123.302 123.302 124.152 -0.850 17842 15152 1 20 . 1 1 112 112 ARG C C 113 175.762 175.762 174.483 1.279 17842 15153 1 20 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.201 -0.324 17842 15154 1 20 . 1 1 112 112 ARG CB C 113 30.678 30.678 32.074 -1.396 17842 15155 1 20 . 1 1 112 112 ARG H H 113 8.277 8.277 8.260 0.017 17842 15156 1 20 . 1 1 113 113 ASP N N 114 122.193 122.193 119.588 2.605 17842 15157 1 20 . 1 1 113 113 ASP C C 114 175.875 175.875 175.859 0.016 17842 15158 1 20 . 1 1 113 113 ASP CA C 114 54.219 54.219 54.505 -0.285 17842 15159 1 20 . 1 1 113 113 ASP CB C 114 41.279 41.279 42.058 -0.779 17842 15160 1 20 . 1 1 113 113 ASP H H 114 8.300 8.300 8.469 -0.169 17842 15161 1 20 . 1 1 114 114 SER N N 115 114.844 114.844 118.109 -3.265 17842 15162 1 20 . 1 1 114 114 SER C C 115 173.567 173.567 174.271 -0.704 17842 15163 1 20 . 1 1 114 114 SER CA C 115 57.538 57.538 59.740 -2.202 17842 15164 1 20 . 1 1 114 114 SER CB C 115 64.306 64.306 62.482 1.824 17842 15165 1 20 . 1 1 114 114 SER H H 115 8.071 8.071 8.273 -0.202 17842 15166 1 20 . 1 1 115 115 ASP N N 116 122.371 122.371 127.106 -4.735 17842 15167 1 20 . 1 1 115 115 ASP C C 116 175.096 175.096 174.958 0.138 17842 15168 1 20 . 1 1 115 115 ASP CA C 116 53.960 53.960 53.871 0.089 17842 15169 1 20 . 1 1 115 115 ASP CB C 116 42.394 42.394 39.702 2.692 17842 15170 1 20 . 1 1 115 115 ASP H H 116 8.400 8.400 8.326 0.074 17842 15171 1 20 . 1 1 116 116 VAL N N 117 120.462 120.462 120.879 -0.417 17842 15172 1 20 . 1 1 116 116 VAL C C 117 175.349 175.349 176.031 -0.682 17842 15173 1 20 . 1 1 116 116 VAL CA C 117 60.785 60.785 60.904 -0.119 17842 15174 1 20 . 1 1 116 116 VAL CB C 117 33.507 33.507 32.990 0.517 17842 15175 1 20 . 1 1 116 116 VAL H H 117 8.014 8.014 7.645 0.369 17842 15176 1 20 . 1 1 117 117 GLY N N 118 112.807 112.807 115.952 -3.145 17842 15177 1 20 . 1 1 117 117 GLY C C 118 172.079 172.079 172.188 -0.109 17842 15178 1 20 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.137 -0.882 17842 15179 1 20 . 1 1 117 117 GLY H H 118 8.871 8.871 7.953 0.918 17842 15180 1 20 . 1 1 118 118 TYR N N 119 117.704 117.704 118.189 -0.485 17842 15181 1 20 . 1 1 118 118 TYR C C 119 175.024 175.024 174.972 0.052 17842 15182 1 20 . 1 1 118 118 TYR CA C 119 55.968 55.968 57.582 -1.614 17842 15183 1 20 . 1 1 118 118 TYR CB C 119 41.089 41.089 39.005 2.084 17842 15184 1 20 . 1 1 118 118 TYR H H 119 8.406 8.406 8.623 -0.217 17842 15185 1 20 . 1 1 119 119 ALA N N 120 122.050 122.050 125.401 -3.351 17842 15186 1 20 . 1 1 119 119 ALA C C 120 175.218 175.218 175.466 -0.248 17842 15187 1 20 . 1 1 119 119 ALA CA C 120 49.661 49.661 50.403 -0.742 17842 15188 1 20 . 1 1 119 119 ALA CB C 120 23.187 23.187 21.434 1.753 17842 15189 1 20 . 1 1 119 119 ALA H H 120 8.605 8.605 8.191 0.414 17842 15190 1 20 . 1 1 120 120 ALA N N 121 119.839 119.839 125.704 -5.865 17842 15191 1 20 . 1 1 120 120 ALA C C 121 175.881 175.881 175.522 0.359 17842 15192 1 20 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.316 -1.976 17842 15193 1 20 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.718 0.747 17842 15194 1 20 . 1 1 120 120 ALA H H 121 8.476 8.476 8.368 0.108 17842 15195 1 20 . 1 1 121 121 GLY N N 122 107.807 107.807 107.949 -0.142 17842 15196 1 20 . 1 1 121 121 GLY C C 122 171.191 171.191 172.226 -1.035 17842 15197 1 20 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.266 0.799 17842 15198 1 20 . 1 1 121 121 GLY H H 122 8.931 8.931 8.172 0.759 17842 15199 1 20 . 1 1 122 122 LEU N N 123 118.400 118.400 118.913 -0.513 17842 15200 1 20 . 1 1 122 122 LEU C C 123 174.684 174.684 174.751 -0.067 17842 15201 1 20 . 1 1 122 122 LEU CA C 123 53.227 53.227 53.932 -0.705 17842 15202 1 20 . 1 1 122 122 LEU CB C 123 48.385 48.385 46.972 1.413 17842 15203 1 20 . 1 1 122 122 LEU H H 123 8.351 8.351 8.073 0.278 17842 15204 1 20 . 1 1 123 123 GLN N N 124 113.455 113.455 118.432 -4.977 17842 15205 1 20 . 1 1 123 123 GLN C C 124 173.895 173.895 173.676 0.219 17842 15206 1 20 . 1 1 123 123 GLN CA C 124 54.004 54.004 55.130 -1.126 17842 15207 1 20 . 1 1 123 123 GLN CB C 124 28.135 28.135 33.598 -5.463 17842 15208 1 20 . 1 1 123 123 GLN H H 124 8.159 8.159 8.252 -0.093 17842 15209 1 20 . 1 1 124 124 ALA N N 125 118.711 118.711 123.087 -4.376 17842 15210 1 20 . 1 1 124 124 ALA C C 125 174.962 174.962 174.313 0.649 17842 15211 1 20 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.375 -1.579 17842 15212 1 20 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.419 0.587 17842 15213 1 20 . 1 1 124 124 ALA H H 125 8.638 8.638 8.383 0.255 17842 15214 1 20 . 1 1 125 125 GLY N N 126 103.783 103.783 106.890 -3.107 17842 15215 1 20 . 1 1 125 125 GLY C C 126 170.390 170.390 171.434 -1.044 17842 15216 1 20 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.234 1.176 17842 15217 1 20 . 1 1 125 125 GLY H H 126 7.103 7.103 6.526 0.577 17842 15218 1 20 . 1 1 126 126 ILE N N 127 118.306 118.306 115.257 3.049 17842 15219 1 20 . 1 1 126 126 ILE C C 127 172.353 172.353 174.165 -1.812 17842 15220 1 20 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.567 -1.974 17842 15221 1 20 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.296 0.868 17842 15222 1 20 . 1 1 126 126 ILE H H 127 8.564 8.564 8.468 0.096 17842 15223 1 20 . 1 1 127 127 LEU N N 128 129.339 129.339 128.805 0.534 17842 15224 1 20 . 1 1 127 127 LEU C C 128 173.613 173.613 176.156 -2.543 17842 15225 1 20 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.040 -0.512 17842 15226 1 20 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.248 3.557 17842 15227 1 20 . 1 1 127 127 LEU H H 128 9.236 9.236 8.221 1.015 17842 15228 1 20 . 1 1 128 128 GLN N N 129 126.801 126.801 125.443 1.358 17842 15229 1 20 . 1 1 128 128 GLN C C 129 175.093 175.093 174.886 0.207 17842 15230 1 20 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.662 -1.468 17842 15231 1 20 . 1 1 128 128 GLN CB C 129 30.947 30.947 31.032 -0.085 17842 15232 1 20 . 1 1 128 128 GLN H H 129 9.352 9.352 9.115 0.237 17842 15233 1 20 . 1 1 129 129 GLU N N 130 126.822 126.822 122.986 3.836 17842 15234 1 20 . 1 1 129 129 GLU C C 130 176.651 176.651 175.317 1.334 17842 15235 1 20 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.589 0.592 17842 15236 1 20 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.862 -4.101 17842 15237 1 20 . 1 1 129 129 GLU H H 130 8.518 8.518 8.708 -0.190 17842 15238 1 20 . 1 1 130 130 LEU N N 131 126.031 126.031 125.605 0.426 17842 15239 1 20 . 1 1 130 130 LEU C C 131 176.044 176.044 176.746 -0.702 17842 15240 1 20 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.731 -0.556 17842 15241 1 20 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.969 -0.115 17842 15242 1 20 . 1 1 130 130 LEU H H 131 8.708 8.708 8.814 -0.106 17842 15243 1 20 . 1 1 131 131 SER N N 132 113.049 113.049 111.442 1.607 17842 15244 1 20 . 1 1 131 131 SER C C 132 174.092 174.092 173.503 0.589 17842 15245 1 20 . 1 1 131 131 SER CA C 132 55.993 55.993 57.700 -1.706 17842 15246 1 20 . 1 1 131 131 SER CB C 132 64.945 64.945 63.318 1.627 17842 15247 1 20 . 1 1 131 131 SER H H 132 8.282 8.282 8.023 0.259 17842 15248 1 20 . 1 1 132 132 LYS C C 133 176.346 176.346 175.273 1.073 17842 15249 1 20 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.982 1.515 17842 15250 1 20 . 1 1 132 132 LYS CB C 133 31.009 31.009 31.002 0.007 17842 15251 1 20 . 1 1 133 133 ASN N N 134 110.795 110.795 118.107 -7.312 17842 15252 1 20 . 1 1 133 133 ASN C C 134 173.897 173.897 173.824 0.073 17842 15253 1 20 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.328 0.250 17842 15254 1 20 . 1 1 133 133 ASN CB C 134 40.830 40.830 41.046 -0.216 17842 15255 1 20 . 1 1 133 133 ASN H H 134 7.761 7.761 8.552 -0.791 17842 15256 1 20 . 1 1 134 134 ALA N N 135 122.181 122.181 120.895 1.286 17842 15257 1 20 . 1 1 134 134 ALA C C 135 176.250 176.250 174.742 1.508 17842 15258 1 20 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.444 -0.287 17842 15259 1 20 . 1 1 134 134 ALA CB C 135 22.133 22.133 20.484 1.649 17842 15260 1 20 . 1 1 134 134 ALA H H 135 7.562 7.562 7.837 -0.275 17842 15261 1 20 . 1 1 135 135 SER N N 136 114.617 114.617 113.721 0.896 17842 15262 1 20 . 1 1 135 135 SER C C 136 172.507 172.507 172.792 -0.285 17842 15263 1 20 . 1 1 135 135 SER CA C 136 56.164 56.164 56.407 -0.243 17842 15264 1 20 . 1 1 135 135 SER CB C 136 66.255 66.255 66.268 -0.013 17842 15265 1 20 . 1 1 135 135 SER H H 136 8.717 8.717 7.944 0.773 17842 15266 1 20 . 1 1 136 136 ILE N N 137 114.495 114.495 121.894 -7.399 17842 15267 1 20 . 1 1 136 136 ILE C C 137 173.136 173.136 173.089 0.047 17842 15268 1 20 . 1 1 136 136 ILE CA C 137 58.420 58.420 59.592 -1.172 17842 15269 1 20 . 1 1 136 136 ILE CB C 137 42.700 42.700 42.168 0.532 17842 15270 1 20 . 1 1 136 136 ILE H H 137 8.592 8.592 9.104 -0.512 17842 15271 1 20 . 1 1 137 137 GLU N N 138 122.016 122.016 127.508 -5.492 17842 15272 1 20 . 1 1 137 137 GLU C C 138 173.792 173.792 175.263 -1.471 17842 15273 1 20 . 1 1 137 137 GLU CA C 138 53.537 53.537 53.903 -0.366 17842 15274 1 20 . 1 1 137 137 GLU CB C 138 35.118 35.118 33.444 1.674 17842 15275 1 20 . 1 1 137 137 GLU H H 138 8.902 8.902 8.341 0.561 17842 15276 1 20 . 1 1 138 138 GLY N N 139 107.847 107.847 108.405 -0.558 17842 15277 1 20 . 1 1 138 138 GLY C C 139 171.817 171.817 172.671 -0.854 17842 15278 1 20 . 1 1 138 138 GLY CA C 139 44.070 44.070 44.870 -0.799 17842 15279 1 20 . 1 1 138 138 GLY H H 139 8.485 8.485 8.155 0.330 17842 15280 1 20 . 1 1 139 139 GLY N N 140 108.290 108.290 108.584 -0.294 17842 15281 1 20 . 1 1 139 139 GLY C C 140 169.172 169.172 171.710 -2.538 17842 15282 1 20 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.953 -0.239 17842 15283 1 20 . 1 1 139 139 GLY H H 140 7.841 7.841 8.450 -0.609 17842 15284 1 20 . 1 1 140 140 TYR N N 141 119.674 119.674 121.054 -1.380 17842 15285 1 20 . 1 1 140 140 TYR C C 141 173.643 173.643 173.856 -0.213 17842 15286 1 20 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.506 -1.327 17842 15287 1 20 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.489 -0.345 17842 15288 1 20 . 1 1 140 140 TYR H H 141 8.726 8.726 8.825 -0.099 17842 15289 1 20 . 1 1 141 141 ARG N N 142 125.021 125.021 121.455 3.566 17842 15290 1 20 . 1 1 141 141 ARG C C 142 173.533 173.533 173.567 -0.034 17842 15291 1 20 . 1 1 141 141 ARG CA C 142 53.813 53.813 54.991 -1.178 17842 15292 1 20 . 1 1 141 141 ARG CB C 142 33.239 33.239 34.172 -0.933 17842 15293 1 20 . 1 1 141 141 ARG H H 142 8.502 8.502 7.748 0.754 17842 15294 1 20 . 1 1 142 142 TYR N N 143 128.805 128.805 124.119 4.686 17842 15295 1 20 . 1 1 142 142 TYR C C 143 173.475 173.475 175.466 -1.991 17842 15296 1 20 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.324 0.104 17842 15297 1 20 . 1 1 142 142 TYR CB C 143 41.642 41.642 40.004 1.638 17842 15298 1 20 . 1 1 142 142 TYR H H 143 8.978 8.978 9.275 -0.297 17842 15299 1 20 . 1 1 143 143 LEU N N 144 125.513 125.513 123.973 1.540 17842 15300 1 20 . 1 1 143 143 LEU C C 144 175.370 175.370 175.828 -0.458 17842 15301 1 20 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.175 -1.282 17842 15302 1 20 . 1 1 143 143 LEU CB C 144 45.924 45.924 44.517 1.407 17842 15303 1 20 . 1 1 143 143 LEU H H 144 8.117 8.117 8.598 -0.481 17842 15304 1 20 . 1 1 144 144 ARG N N 145 122.193 122.193 122.537 -0.344 17842 15305 1 20 . 1 1 144 144 ARG C C 145 175.452 175.452 174.541 0.911 17842 15306 1 20 . 1 1 144 144 ARG CA C 145 54.077 54.077 55.321 -1.244 17842 15307 1 20 . 1 1 144 144 ARG CB C 145 31.377 31.377 33.655 -2.278 17842 15308 1 20 . 1 1 144 144 ARG H H 145 8.810 8.810 8.641 0.169 17842 15309 1 20 . 1 1 145 145 THR C C 146 172.708 172.708 174.391 -1.683 17842 15310 1 20 . 1 1 145 145 THR CA C 146 59.117 59.117 60.901 -1.784 17842 15311 1 20 . 1 1 145 145 THR CB C 146 70.345 70.345 70.533 -0.188 17842 15312 1 20 . 1 1 146 146 ASN N N 147 120.236 120.236 124.461 -4.225 17842 15313 1 20 . 1 1 146 146 ASN C C 147 175.341 175.341 174.024 1.317 17842 15314 1 20 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.477 -1.597 17842 15315 1 20 . 1 1 146 146 ASN CB C 147 38.462 38.462 41.493 -3.031 17842 15316 1 20 . 1 1 146 146 ASN H H 147 8.259 8.259 8.331 -0.072 17842 15317 1 20 . 1 1 147 147 ALA N N 148 124.724 124.724 126.483 -1.759 17842 15318 1 20 . 1 1 147 147 ALA C C 148 176.378 176.378 177.098 -0.720 17842 15319 1 20 . 1 1 147 147 ALA CA C 148 52.179 52.179 52.173 0.006 17842 15320 1 20 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.185 -0.559 17842 15321 1 20 . 1 1 147 147 ALA H H 148 8.256 8.256 8.221 0.035 17842 15322 1 20 . 1 1 148 148 SER N N 149 115.670 115.670 119.452 -3.782 17842 15323 1 20 . 1 1 148 148 SER C C 149 174.123 174.123 175.008 -0.885 17842 15324 1 20 . 1 1 148 148 SER CA C 149 57.281 57.281 58.240 -0.959 17842 15325 1 20 . 1 1 148 148 SER CB C 149 64.685 64.685 64.138 0.547 17842 15326 1 20 . 1 1 148 148 SER H H 149 8.372 8.372 8.130 0.242 17842 15327 1 20 . 1 1 149 149 THR N N 150 115.292 115.292 112.694 2.598 17842 15328 1 20 . 1 1 149 149 THR C C 150 173.858 173.858 174.178 -0.320 17842 15329 1 20 . 1 1 149 149 THR CA C 150 61.189 61.189 62.052 -0.863 17842 15330 1 20 . 1 1 149 149 THR CB C 150 69.105 69.105 69.372 -0.267 17842 15331 1 20 . 1 1 149 149 THR H H 150 8.228 8.228 8.252 -0.024 17842 15332 1 20 . 1 1 150 150 GLU N N 151 123.244 123.244 123.274 -0.030 17842 15333 1 20 . 1 1 150 150 GLU C C 151 176.121 176.121 175.795 0.326 17842 15334 1 20 . 1 1 150 150 GLU CA C 151 56.002 56.002 56.922 -0.920 17842 15335 1 20 . 1 1 150 150 GLU CB C 151 29.931 29.931 30.107 -0.176 17842 15336 1 20 . 1 1 150 150 GLU H H 151 8.186 8.186 8.239 -0.053 17842 15337 1 20 . 1 1 151 151 MET N N 152 121.600 121.600 121.341 0.259 17842 15338 1 20 . 1 1 151 151 MET C C 152 175.810 175.810 175.493 0.317 17842 15339 1 20 . 1 1 151 151 MET CA C 152 55.254 55.254 55.040 0.214 17842 15340 1 20 . 1 1 151 151 MET CB C 152 33.247 33.247 33.431 -0.184 17842 15341 1 20 . 1 1 151 151 MET H H 152 8.248 8.248 8.102 0.146 17842 15342 1 20 . 1 1 152 152 THR N N 153 117.486 117.486 115.997 1.489 17842 15343 1 20 . 1 1 152 152 THR C C 153 172.907 172.907 172.380 0.527 17842 15344 1 20 . 1 1 152 152 THR CA C 153 59.365 59.365 59.357 0.008 17842 15345 1 20 . 1 1 152 152 THR CB C 153 69.366 69.366 69.170 0.196 17842 15346 1 20 . 1 1 152 152 THR H H 153 8.113 8.113 7.597 0.516 17842 15347 1 20 . 1 1 155 155 GLY C C 156 174.620 174.620 173.349 1.271 17842 15348 1 20 . 1 1 155 155 GLY CA C 156 45.280 45.280 45.030 0.250 17842 15349 1 20 . 1 1 156 156 GLY N N 157 109.059 109.059 108.256 0.803 17842 15350 1 20 . 1 1 156 156 GLY C C 157 173.801 173.801 174.168 -0.367 17842 15351 1 20 . 1 1 156 156 GLY CA C 157 44.929 44.929 45.315 -0.386 17842 15352 1 20 . 1 1 156 156 GLY H H 157 8.175 8.175 8.244 -0.069 17842 15353 1 20 . 1 1 157 157 ASN N N 158 118.630 118.630 119.821 -1.191 17842 15354 1 20 . 1 1 157 157 ASN C C 158 175.025 175.025 173.793 1.232 17842 15355 1 20 . 1 1 157 157 ASN CA C 158 52.791 52.791 53.428 -0.637 17842 15356 1 20 . 1 1 157 157 ASN CB C 158 38.532 38.532 38.382 0.150 17842 15357 1 20 . 1 1 157 157 ASN H H 158 8.114 8.114 8.421 -0.307 17842 15358 1 20 . 1 1 158 158 LYS N N 159 121.755 121.755 122.543 -0.788 17842 15359 1 20 . 1 1 158 158 LYS C C 159 176.361 176.361 175.488 0.873 17842 15360 1 20 . 1 1 158 158 LYS CA C 159 56.472 56.472 55.459 1.013 17842 15361 1 20 . 1 1 158 158 LYS CB C 159 32.403 32.403 34.534 -2.131 17842 15362 1 20 . 1 1 158 158 LYS H H 159 8.169 8.169 8.032 0.137 17842 15363 1 20 . 1 1 159 159 LEU N N 160 123.084 123.084 123.450 -0.366 17842 15364 1 20 . 1 1 159 159 LEU C C 160 177.408 177.408 177.283 0.125 17842 15365 1 20 . 1 1 159 159 LEU CA C 160 55.162 55.162 54.910 0.252 17842 15366 1 20 . 1 1 159 159 LEU CB C 160 42.690 42.690 41.046 1.644 17842 15367 1 20 . 1 1 159 159 LEU H H 160 8.173 8.173 8.569 -0.396 17842 15368 1 20 . 1 1 160 160 GLY N N 161 109.180 109.180 113.645 -4.465 17842 15369 1 20 . 1 1 160 160 GLY C C 161 173.574 173.574 173.707 -0.133 17842 15370 1 20 . 1 1 160 160 GLY CA C 161 44.877 44.877 45.070 -0.193 17842 15371 1 20 . 1 1 160 160 GLY H H 161 8.117 8.117 8.598 -0.481 17842 15372 1 20 . 1 1 161 161 SER N N 162 115.719 115.719 115.140 0.579 17842 15373 1 20 . 1 1 161 161 SER C C 162 173.715 173.715 173.054 0.661 17842 15374 1 20 . 1 1 161 161 SER CA C 162 57.965 57.965 58.962 -0.997 17842 15375 1 20 . 1 1 161 161 SER CB C 162 63.856 63.856 64.525 -0.669 17842 15376 1 20 . 1 1 161 161 SER H H 162 8.064 8.064 8.104 -0.040 17842 15377 1 20 . 1 1 162 162 LEU N N 163 123.433 123.433 125.904 -2.471 17842 15378 1 20 . 1 1 162 162 LEU C C 163 175.609 175.609 175.703 -0.094 17842 15379 1 20 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.502 -1.117 17842 15380 1 20 . 1 1 162 162 LEU CB C 163 43.046 43.046 42.876 0.170 17842 15381 1 20 . 1 1 162 162 LEU H H 163 8.282 8.282 8.592 -0.310 17842 15382 1 20 . 1 1 163 163 ASP N N 164 122.223 122.223 121.814 0.409 17842 15383 1 20 . 1 1 163 163 ASP C C 164 175.122 175.122 175.492 -0.370 17842 15384 1 20 . 1 1 163 163 ASP CA C 164 53.400 53.400 54.913 -1.513 17842 15385 1 20 . 1 1 163 163 ASP CB C 164 41.200 41.200 41.564 -0.364 17842 15386 1 20 . 1 1 163 163 ASP H H 164 8.356 8.356 8.493 -0.137 17842 15387 1 20 . 1 1 166 166 SER C C 167 172.472 172.472 174.190 -1.718 17842 15388 1 20 . 1 1 166 166 SER CA C 167 56.760 56.760 58.489 -1.729 17842 15389 1 20 . 1 1 167 167 SER N N 168 115.939 115.939 116.907 -0.968 17842 15390 1 20 . 1 1 167 167 SER C C 168 173.318 173.318 173.471 -0.153 17842 15391 1 20 . 1 1 167 167 SER CA C 168 56.763 56.763 57.873 -1.110 17842 15392 1 20 . 1 1 167 167 SER CB C 168 65.286 65.286 64.456 0.830 17842 15393 1 20 . 1 1 167 167 SER H H 168 8.678 8.678 8.749 -0.071 17842 15394 1 20 . 1 1 168 168 SER C C 169 172.500 172.500 173.291 -0.791 17842 15395 1 20 . 1 1 168 168 SER CA C 169 56.569 56.569 57.672 -1.103 17842 15396 1 20 . 1 1 168 168 SER CB C 169 65.738 65.738 64.040 1.698 17842 15397 1 20 . 1 1 169 169 GLN N N 170 122.951 122.951 121.588 1.363 17842 15398 1 20 . 1 1 169 169 GLN C C 170 174.697 174.697 173.821 0.876 17842 15399 1 20 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.492 -0.454 17842 15400 1 20 . 1 1 169 169 GLN CB C 170 32.383 32.383 33.027 -0.644 17842 15401 1 20 . 1 1 169 169 GLN H H 170 8.745 8.745 7.833 0.912 17842 15402 1 20 . 1 1 170 170 PHE N N 171 125.628 125.628 121.320 4.308 17842 15403 1 20 . 1 1 170 170 PHE C C 171 174.628 174.628 173.879 0.749 17842 15404 1 20 . 1 1 170 170 PHE CA C 171 56.200 56.200 56.522 -0.322 17842 15405 1 20 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.814 -1.262 17842 15406 1 20 . 1 1 170 170 PHE H H 171 7.771 7.771 8.441 -0.670 17842 15407 1 20 . 1 1 171 171 TYR N N 172 121.558 121.558 120.377 1.181 17842 15408 1 20 . 1 1 171 171 TYR C C 172 171.727 171.727 173.915 -2.188 17842 15409 1 20 . 1 1 171 171 TYR CA C 172 56.046 56.046 57.241 -1.195 17842 15410 1 20 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.225 0.214 17842 15411 1 20 . 1 1 171 171 TYR H H 172 8.696 8.696 7.917 0.779 17842 15412 1 20 . 1 1 172 172 LEU N N 173 119.230 119.230 127.154 -7.924 17842 15413 1 20 . 1 1 172 172 LEU C C 173 176.352 176.352 174.778 1.574 17842 15414 1 20 . 1 1 172 172 LEU CA C 173 52.743 52.743 55.161 -2.418 17842 15415 1 20 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.751 -0.214 17842 15416 1 20 . 1 1 172 172 LEU H H 173 8.971 8.971 8.248 0.723 17842 15417 1 20 . 1 1 173 173 GLY N N 174 107.248 107.248 111.302 -4.054 17842 15418 1 20 . 1 1 173 173 GLY C C 174 170.680 170.680 171.937 -1.257 17842 15419 1 20 . 1 1 173 173 GLY CA C 174 44.920 44.920 46.276 -1.356 17842 15420 1 20 . 1 1 173 173 GLY H H 174 9.085 9.085 9.002 0.083 17842 15421 1 20 . 1 1 174 174 ALA N N 175 121.461 121.461 121.429 0.032 17842 15422 1 20 . 1 1 174 174 ALA C C 175 174.546 174.546 175.036 -0.490 17842 15423 1 20 . 1 1 174 174 ALA CA C 175 50.312 50.312 50.326 -0.014 17842 15424 1 20 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.827 -1.184 17842 15425 1 20 . 1 1 174 174 ALA H H 175 8.575 8.575 7.991 0.584 17842 15426 1 20 . 1 1 175 175 ASN N N 176 117.370 117.370 115.527 1.843 17842 15427 1 20 . 1 1 175 175 ASN C C 176 173.370 173.370 173.465 -0.095 17842 15428 1 20 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.636 -2.037 17842 15429 1 20 . 1 1 175 175 ASN CB C 176 41.957 41.957 40.759 1.198 17842 15430 1 20 . 1 1 175 175 ASN H H 176 8.762 8.762 8.243 0.519 17842 15431 1 20 . 1 1 176 176 TYR N N 177 122.724 122.724 123.145 -0.421 17842 15432 1 20 . 1 1 176 176 TYR C C 177 173.924 173.924 176.056 -2.132 17842 15433 1 20 . 1 1 176 176 TYR CA C 177 56.438 56.438 57.511 -1.073 17842 15434 1 20 . 1 1 176 176 TYR CB C 177 42.401 42.401 39.505 2.896 17842 15435 1 20 . 1 1 176 176 TYR H H 177 9.570 9.570 9.390 0.180 17842 15436 1 20 . 1 1 177 177 LYS N N 178 127.067 127.067 124.691 2.376 17842 15437 1 20 . 1 1 177 177 LYS C C 178 174.336 174.336 175.421 -1.085 17842 15438 1 20 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.532 -1.289 17842 15439 1 20 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.300 0.651 17842 15440 1 20 . 1 1 177 177 LYS H H 178 8.284 8.284 8.514 -0.230 17842 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 153 3.206 0.574 3.164 17842 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 17842 3 1 1 "Average Difference" C 164 0.960 0.110 0.957 17842 4 1 1 "Average Difference" CA 165 1.080 0.501 0.959 17842 5 1 1 "Average Difference" CB 137 1.326 0.050 1.330 17842 6 1 1 "Average Difference" HN 153 0.497 -0.048 0.496 17842 7 1 2 "Average Difference" N 153 3.495 0.410 3.482 17842 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 17842 9 1 2 "Average Difference" C 164 0.920 0.129 0.913 17842 10 1 2 "Average Difference" CA 165 1.127 0.592 0.962 17842 11 1 2 "Average Difference" CB 137 1.383 0.066 1.386 17842 12 1 2 "Average Difference" HN 153 0.540 -0.022 0.541 17842 13 1 3 "Average Difference" N 153 3.727 0.635 3.684 17842 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 17842 15 1 3 "Average Difference" C 164 0.934 0.097 0.932 17842 16 1 3 "Average Difference" CA 165 1.166 0.520 1.047 17842 17 1 3 "Average Difference" CB 137 1.352 0.011 1.357 17842 18 1 3 "Average Difference" HN 153 0.505 -0.060 0.503 17842 19 1 4 "Average Difference" N 153 3.336 -0.068 3.346 17842 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 17842 21 1 4 "Average Difference" C 164 0.974 0.140 0.966 17842 22 1 4 "Average Difference" CA 165 1.200 0.526 1.082 17842 23 1 4 "Average Difference" CB 137 1.438 0.086 1.441 17842 24 1 4 "Average Difference" HN 153 0.535 -0.036 0.536 17842 25 1 5 "Average Difference" N 153 3.597 0.467 3.579 17842 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 17842 27 1 5 "Average Difference" C 164 0.966 0.106 0.963 17842 28 1 5 "Average Difference" CA 165 1.278 0.613 1.125 17842 29 1 5 "Average Difference" CB 137 1.445 0.011 1.450 17842 30 1 5 "Average Difference" HN 153 0.532 -0.047 0.532 17842 31 1 6 "Average Difference" N 153 3.763 0.228 3.769 17842 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 17842 33 1 6 "Average Difference" C 164 0.941 0.069 0.941 17842 34 1 6 "Average Difference" CA 165 1.129 0.527 1.002 17842 35 1 6 "Average Difference" CB 137 1.331 0.047 1.335 17842 36 1 6 "Average Difference" HN 153 0.492 -0.106 0.482 17842 37 1 7 "Average Difference" N 153 3.243 0.172 3.249 17842 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 17842 39 1 7 "Average Difference" C 164 0.962 0.099 0.959 17842 40 1 7 "Average Difference" CA 165 1.140 0.496 1.029 17842 41 1 7 "Average Difference" CB 137 1.348 0.014 1.353 17842 42 1 7 "Average Difference" HN 153 0.523 -0.046 0.523 17842 43 1 8 "Average Difference" N 153 3.610 0.514 3.585 17842 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 17842 45 1 8 "Average Difference" C 164 0.918 0.113 0.914 17842 46 1 8 "Average Difference" CA 165 1.077 0.474 0.970 17842 47 1 8 "Average Difference" CB 137 1.327 0.124 1.326 17842 48 1 8 "Average Difference" HN 153 0.519 -0.059 0.517 17842 49 1 9 "Average Difference" N 153 3.546 0.485 3.525 17842 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 17842 51 1 9 "Average Difference" C 164 0.965 0.125 0.960 17842 52 1 9 "Average Difference" CA 165 1.172 0.583 1.019 17842 53 1 9 "Average Difference" CB 137 1.516 0.032 1.521 17842 54 1 9 "Average Difference" HN 153 0.529 -0.107 0.519 17842 55 1 10 "Average Difference" N 153 3.102 0.222 3.105 17842 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 17842 57 1 10 "Average Difference" C 164 1.001 0.095 0.999 17842 58 1 10 "Average Difference" CA 165 1.126 0.427 1.045 17842 59 1 10 "Average Difference" CB 137 1.389 0.034 1.394 17842 60 1 10 "Average Difference" HN 153 0.526 -0.082 0.521 17842 61 1 11 "Average Difference" N 153 3.486 0.473 3.466 17842 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 17842 63 1 11 "Average Difference" C 164 1.012 0.092 1.011 17842 64 1 11 "Average Difference" CA 165 1.150 0.573 1.000 17842 65 1 11 "Average Difference" CB 137 1.322 0.015 1.326 17842 66 1 11 "Average Difference" HN 153 0.522 -0.091 0.516 17842 67 1 12 "Average Difference" N 153 3.693 0.629 3.651 17842 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 17842 69 1 12 "Average Difference" C 164 0.924 0.122 0.918 17842 70 1 12 "Average Difference" CA 165 1.133 0.522 1.008 17842 71 1 12 "Average Difference" CB 137 1.407 0.006 1.412 17842 72 1 12 "Average Difference" HN 153 0.502 -0.053 0.501 17842 73 1 13 "Average Difference" N 153 3.620 0.228 3.624 17842 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 17842 75 1 13 "Average Difference" C 164 1.008 0.098 1.007 17842 76 1 13 "Average Difference" CA 165 1.129 0.531 1.000 17842 77 1 13 "Average Difference" CB 137 1.310 0.085 1.312 17842 78 1 13 "Average Difference" HN 153 0.517 -0.076 0.513 17842 79 1 14 "Average Difference" N 153 3.329 0.709 3.264 17842 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 17842 81 1 14 "Average Difference" C 164 0.971 0.148 0.962 17842 82 1 14 "Average Difference" CA 165 1.178 0.554 1.043 17842 83 1 14 "Average Difference" CB 137 1.417 0.038 1.422 17842 84 1 14 "Average Difference" HN 153 0.534 -0.093 0.528 17842 85 1 15 "Average Difference" N 153 3.250 0.226 3.253 17842 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 17842 87 1 15 "Average Difference" C 164 0.998 0.087 0.998 17842 88 1 15 "Average Difference" CA 165 1.185 0.563 1.046 17842 89 1 15 "Average Difference" CB 137 1.292 0.042 1.296 17842 90 1 15 "Average Difference" HN 153 0.514 -0.046 0.514 17842 91 1 16 "Average Difference" N 153 3.846 0.578 3.815 17842 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 17842 93 1 16 "Average Difference" C 164 0.987 0.117 0.983 17842 94 1 16 "Average Difference" CA 165 1.142 0.612 0.967 17842 95 1 16 "Average Difference" CB 137 1.320 0.049 1.324 17842 96 1 16 "Average Difference" HN 153 0.523 -0.032 0.523 17842 97 1 17 "Average Difference" N 153 3.295 0.408 3.280 17842 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 17842 99 1 17 "Average Difference" C 164 0.969 0.094 0.967 17842 100 1 17 "Average Difference" CA 165 1.060 0.479 0.949 17842 101 1 17 "Average Difference" CB 137 1.339 -0.052 1.343 17842 102 1 17 "Average Difference" HN 153 0.539 -0.067 0.537 17842 103 1 18 "Average Difference" N 153 3.581 0.143 3.590 17842 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 17842 105 1 18 "Average Difference" C 164 0.970 0.068 0.971 17842 106 1 18 "Average Difference" CA 165 1.145 0.574 0.994 17842 107 1 18 "Average Difference" CB 137 1.439 0.036 1.444 17842 108 1 18 "Average Difference" HN 153 0.556 -0.071 0.554 17842 109 1 19 "Average Difference" N 153 3.330 0.031 3.341 17842 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 17842 111 1 19 "Average Difference" C 164 0.992 0.116 0.988 17842 112 1 19 "Average Difference" CA 165 1.131 0.546 0.993 17842 113 1 19 "Average Difference" CB 137 1.288 0.081 1.290 17842 114 1 19 "Average Difference" HN 153 0.495 -0.089 0.489 17842 115 1 20 "Average Difference" N 153 3.280 0.512 3.250 17842 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 17842 117 1 20 "Average Difference" C 164 0.957 0.116 0.953 17842 118 1 20 "Average Difference" CA 165 1.151 0.597 0.987 17842 119 1 20 "Average Difference" CB 137 1.450 0.005 1.455 17842 120 1 20 "Average Difference" HN 153 0.507 -0.049 0.506 17842 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 17842 _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 ASP N N 3 119.767 119.767 120.863 -1.096 17842 2 1 . 1 1 2 2 ASP C C 3 175.809 175.809 174.827 0.982 17842 3 1 . 1 1 2 2 ASP CA C 3 53.303 53.303 53.336 -0.033 17842 4 1 . 1 1 2 2 ASP CB C 3 42.915 42.915 44.932 -2.017 17842 5 1 . 1 1 2 2 ASP H H 3 8.443 8.443 8.365 0.078 17842 6 1 . 1 1 3 3 ASN N N 4 123.667 123.667 120.029 3.638 17842 7 1 . 1 1 3 3 ASN C C 4 174.736 174.736 174.365 0.371 17842 8 1 . 1 1 3 3 ASN CA C 4 52.911 52.911 53.509 -0.598 17842 9 1 . 1 1 3 3 ASN CB C 4 39.160 39.160 40.496 -1.336 17842 10 1 . 1 1 3 3 ASN H H 4 8.923 8.923 8.778 0.145 17842 11 1 . 1 1 4 4 PHE N N 5 118.447 118.447 122.125 -3.678 17842 12 1 . 1 1 4 4 PHE C C 5 172.331 172.331 173.584 -1.253 17842 13 1 . 1 1 4 4 PHE CA C 5 56.052 56.052 56.869 -0.817 17842 14 1 . 1 1 4 4 PHE CB C 5 42.863 42.863 43.326 -0.463 17842 15 1 . 1 1 4 4 PHE H H 5 8.910 8.910 8.568 0.342 17842 16 1 . 1 1 5 5 VAL N N 6 116.195 116.195 119.372 -3.176 17842 17 1 . 1 1 5 5 VAL C C 6 174.144 174.144 174.431 -0.287 17842 18 1 . 1 1 5 5 VAL CA C 6 58.529 58.529 60.943 -2.414 17842 19 1 . 1 1 5 5 VAL CB C 6 35.818 35.818 35.164 0.654 17842 20 1 . 1 1 5 5 VAL H H 6 8.903 8.903 8.868 0.035 17842 21 1 . 1 1 6 6 GLY N N 7 110.150 110.150 113.618 -3.468 17842 22 1 . 1 1 6 6 GLY C C 7 170.825 170.825 171.873 -1.048 17842 23 1 . 1 1 6 6 GLY CA C 7 46.218 46.218 45.135 1.083 17842 24 1 . 1 1 6 6 GLY H H 7 8.670 8.670 8.798 -0.128 17842 25 1 . 1 1 7 7 LEU N N 8 120.059 120.059 119.473 0.586 17842 26 1 . 1 1 7 7 LEU C C 8 175.596 175.596 175.315 0.281 17842 27 1 . 1 1 7 7 LEU CA C 8 52.933 52.933 54.057 -1.124 17842 28 1 . 1 1 7 7 LEU CB C 8 47.663 47.663 46.701 0.962 17842 29 1 . 1 1 7 7 LEU H H 8 8.562 8.562 7.966 0.596 17842 30 1 . 1 1 8 8 THR N N 9 112.180 112.180 113.914 -1.734 17842 31 1 . 1 1 8 8 THR C C 9 172.942 172.942 172.748 0.194 17842 32 1 . 1 1 8 8 THR CA C 9 59.539 59.539 61.372 -1.833 17842 33 1 . 1 1 8 8 THR CB C 9 70.735 70.735 70.919 -0.184 17842 34 1 . 1 1 8 8 THR H H 9 9.114 9.114 8.239 0.875 17842 35 1 . 1 1 9 9 TRP N N 10 121.476 121.476 126.282 -4.806 17842 36 1 . 1 1 9 9 TRP C C 10 174.622 174.622 174.809 -0.187 17842 37 1 . 1 1 9 9 TRP CA C 10 56.418 56.418 55.828 0.590 17842 38 1 . 1 1 9 9 TRP CB C 10 31.877 31.877 32.795 -0.918 17842 39 1 . 1 1 9 9 TRP H H 10 9.022 9.022 8.458 0.564 17842 40 1 . 1 1 10 10 GLY N N 11 112.750 112.750 113.139 -0.389 17842 41 1 . 1 1 10 10 GLY C C 11 171.655 171.655 172.430 -0.775 17842 42 1 . 1 1 10 10 GLY CA C 11 44.940 44.940 43.719 1.221 17842 43 1 . 1 1 10 10 GLY H H 11 7.798 7.798 8.729 -0.931 17842 44 1 . 1 1 11 11 GLU N N 12 117.292 117.292 123.139 -5.847 17842 45 1 . 1 1 11 11 GLU C C 12 175.810 175.810 175.750 0.060 17842 46 1 . 1 1 11 11 GLU CA C 12 53.743 53.743 55.520 -1.777 17842 47 1 . 1 1 11 11 GLU CB C 12 31.361 31.361 31.365 -0.004 17842 48 1 . 1 1 11 11 GLU H H 12 8.223 8.223 8.606 -0.383 17842 49 1 . 1 1 12 12 THR N N 13 123.477 123.477 119.600 3.877 17842 50 1 . 1 1 12 12 THR C C 13 174.233 174.233 173.836 0.397 17842 51 1 . 1 1 12 12 THR CA C 13 61.872 61.872 61.835 0.037 17842 52 1 . 1 1 12 12 THR CB C 13 69.374 69.374 69.771 -0.397 17842 53 1 . 1 1 12 12 THR H H 13 8.722 8.722 8.305 0.418 17842 54 1 . 1 1 13 13 SER N N 14 122.220 122.220 121.235 0.985 17842 55 1 . 1 1 13 13 SER C C 14 173.577 173.577 173.569 0.008 17842 56 1 . 1 1 13 13 SER CA C 14 56.934 56.934 58.231 -1.297 17842 57 1 . 1 1 13 13 SER CB C 14 64.249 64.249 64.326 -0.077 17842 58 1 . 1 1 13 13 SER H H 14 9.225 9.225 8.603 0.622 17842 59 1 . 1 1 14 14 ASN N N 15 125.159 125.159 122.913 2.246 17842 60 1 . 1 1 14 14 ASN C C 15 174.673 174.673 174.696 -0.023 17842 61 1 . 1 1 14 14 ASN CA C 15 51.888 51.888 53.500 -1.612 17842 62 1 . 1 1 14 14 ASN CB C 15 39.777 39.777 39.197 0.580 17842 63 1 . 1 1 14 14 ASN H H 15 8.745 8.745 8.606 0.139 17842 64 1 . 1 1 15 15 ASN N N 16 120.330 120.330 120.117 0.213 17842 65 1 . 1 1 15 15 ASN C C 16 175.886 175.886 174.992 0.894 17842 66 1 . 1 1 15 15 ASN CA C 16 52.780 52.780 53.214 -0.434 17842 67 1 . 1 1 15 15 ASN CB C 16 38.595 38.595 38.963 -0.368 17842 68 1 . 1 1 15 15 ASN H H 16 8.494 8.494 8.335 0.159 17842 69 1 . 1 1 20 20 LYS C C 21 176.705 176.705 175.929 0.776 17842 70 1 . 1 1 20 20 LYS CA C 21 56.683 56.683 56.379 0.304 17842 71 1 . 1 1 21 21 SER N N 22 115.966 115.966 116.476 -0.510 17842 72 1 . 1 1 21 21 SER C C 22 174.564 174.564 173.923 0.641 17842 73 1 . 1 1 21 21 SER CA C 22 58.149 58.149 58.058 0.091 17842 74 1 . 1 1 21 21 SER CB C 22 63.308 63.308 63.697 -0.389 17842 75 1 . 1 1 21 21 SER H H 22 8.053 8.053 8.314 -0.261 17842 76 1 . 1 1 22 22 LEU N N 23 123.751 123.751 123.394 0.357 17842 77 1 . 1 1 22 22 LEU C C 23 176.968 176.968 176.265 0.703 17842 78 1 . 1 1 22 22 LEU CA C 23 55.269 55.269 55.162 0.107 17842 79 1 . 1 1 22 22 LEU CB C 23 42.334 42.334 42.547 -0.213 17842 80 1 . 1 1 22 22 LEU H H 23 8.006 8.006 8.372 -0.366 17842 81 1 . 1 1 23 23 ASN N N 24 118.937 118.937 119.086 -0.148 17842 82 1 . 1 1 23 23 ASN C C 24 175.119 175.119 174.920 0.199 17842 83 1 . 1 1 23 23 ASN CA C 24 52.993 52.993 53.206 -0.213 17842 84 1 . 1 1 23 23 ASN CB C 24 38.255 38.255 39.462 -1.207 17842 85 1 . 1 1 23 23 ASN H H 24 8.136 8.136 8.324 -0.188 17842 86 1 . 1 1 24 24 ARG N N 25 121.500 121.500 120.919 0.581 17842 87 1 . 1 1 24 24 ARG C C 25 175.849 175.849 175.214 0.635 17842 88 1 . 1 1 24 24 ARG CA C 25 56.368 56.368 56.110 0.258 17842 89 1 . 1 1 24 24 ARG CB C 25 30.366 30.366 30.730 -0.364 17842 90 1 . 1 1 24 24 ARG H H 25 8.097 8.097 8.463 -0.366 17842 91 1 . 1 1 25 25 ASN N N 26 119.196 119.196 119.480 -0.284 17842 92 1 . 1 1 25 25 ASN C C 26 175.122 175.122 174.390 0.733 17842 93 1 . 1 1 25 25 ASN CA C 26 53.061 53.061 53.194 -0.133 17842 94 1 . 1 1 25 25 ASN CB C 26 38.291 38.291 39.466 -1.175 17842 95 1 . 1 1 25 25 ASN H H 26 8.278 8.278 8.366 -0.088 17842 96 1 . 1 1 26 26 LEU N N 27 122.352 122.352 122.067 0.285 17842 97 1 . 1 1 26 26 LEU C C 27 176.903 176.903 176.183 0.720 17842 98 1 . 1 1 26 26 LEU CA C 27 55.326 55.326 55.285 0.041 17842 99 1 . 1 1 26 26 LEU CB C 27 42.186 42.186 42.297 -0.111 17842 100 1 . 1 1 26 26 LEU H H 27 7.992 7.992 8.290 -0.298 17842 101 1 . 1 1 27 27 ASN N N 28 118.444 118.444 119.818 -1.374 17842 102 1 . 1 1 27 27 ASN C C 28 174.754 174.754 174.678 0.076 17842 103 1 . 1 1 27 27 ASN CA C 28 52.960 52.960 53.264 -0.304 17842 104 1 . 1 1 27 27 ASN CB C 28 38.419 38.419 39.041 -0.623 17842 105 1 . 1 1 27 27 ASN H H 28 8.216 8.216 8.405 -0.189 17842 106 1 . 1 1 28 28 SER N N 29 116.471 116.471 117.015 -0.544 17842 107 1 . 1 1 28 28 SER C C 29 172.778 172.778 172.959 -0.181 17842 108 1 . 1 1 28 28 SER CA C 29 55.982 55.982 57.067 -1.085 17842 109 1 . 1 1 28 28 SER CB C 29 63.179 63.179 63.710 -0.531 17842 110 1 . 1 1 28 28 SER H H 29 7.833 7.833 8.253 -0.420 17842 111 1 . 1 1 29 29 PRO C C 30 176.535 176.535 176.141 0.394 17842 112 1 . 1 1 29 29 PRO CA C 30 63.458 63.458 63.300 0.158 17842 113 1 . 1 1 29 29 PRO CB C 30 31.672 31.672 31.989 -0.317 17842 114 1 . 1 1 30 30 ASN N N 31 118.189 118.189 117.774 0.415 17842 115 1 . 1 1 30 30 ASN C C 31 175.075 175.075 174.544 0.531 17842 116 1 . 1 1 30 30 ASN CA C 31 53.051 53.051 53.133 -0.082 17842 117 1 . 1 1 30 30 ASN CB C 31 38.277 38.277 39.288 -1.011 17842 118 1 . 1 1 30 30 ASN H H 31 8.231 8.231 8.305 -0.074 17842 119 1 . 1 1 31 31 LEU N N 32 122.838 122.838 122.201 0.637 17842 120 1 . 1 1 31 31 LEU C C 32 176.800 176.800 176.130 0.670 17842 121 1 . 1 1 31 31 LEU CA C 32 55.107 55.107 55.423 -0.316 17842 122 1 . 1 1 31 31 LEU CB C 32 42.291 42.291 42.364 -0.073 17842 123 1 . 1 1 31 31 LEU H H 32 8.011 8.011 8.302 -0.291 17842 124 1 . 1 1 32 32 ASP N N 33 120.740 120.740 122.150 -1.410 17842 125 1 . 1 1 32 32 ASP C C 33 175.863 175.863 175.997 -0.134 17842 126 1 . 1 1 32 32 ASP CA C 33 54.331 54.331 54.703 -0.372 17842 127 1 . 1 1 32 32 ASP CB C 33 40.758 40.758 41.390 -0.632 17842 128 1 . 1 1 32 32 ASP H H 33 8.151 8.151 8.491 -0.340 17842 129 1 . 1 1 33 33 LYS N N 34 120.746 120.746 120.521 0.225 17842 130 1 . 1 1 33 33 LYS C C 34 175.912 175.912 176.196 -0.284 17842 131 1 . 1 1 33 33 LYS CA C 34 55.865 55.865 56.778 -0.913 17842 132 1 . 1 1 33 33 LYS CB C 34 32.738 32.738 32.990 -0.252 17842 133 1 . 1 1 33 33 LYS H H 34 7.933 7.933 8.257 -0.324 17842 134 1 . 1 1 34 34 VAL N N 35 121.590 121.590 118.786 2.804 17842 135 1 . 1 1 34 34 VAL C C 35 175.691 175.691 175.544 0.147 17842 136 1 . 1 1 34 34 VAL CA C 35 62.186 62.186 62.561 -0.375 17842 137 1 . 1 1 34 34 VAL CB C 35 32.591 32.591 31.965 0.626 17842 138 1 . 1 1 34 34 VAL H H 35 7.995 7.995 8.093 -0.098 17842 139 1 . 1 1 35 35 ILE N N 36 124.025 124.025 119.746 4.279 17842 140 1 . 1 1 35 35 ILE C C 36 175.266 175.266 175.188 0.078 17842 141 1 . 1 1 35 35 ILE CA C 36 60.495 60.495 61.491 -0.996 17842 142 1 . 1 1 35 35 ILE CB C 36 38.489 38.489 38.448 0.041 17842 143 1 . 1 1 35 35 ILE H H 36 8.034 8.034 7.884 0.150 17842 144 1 . 1 1 36 36 ASP N N 37 125.860 125.860 123.592 2.268 17842 145 1 . 1 1 36 36 ASP C C 37 175.014 175.014 175.322 -0.308 17842 146 1 . 1 1 36 36 ASP CA C 37 53.719 53.719 54.567 -0.848 17842 147 1 . 1 1 36 36 ASP CB C 37 41.755 41.755 41.676 0.079 17842 148 1 . 1 1 36 36 ASP H H 37 8.190 8.190 8.520 -0.330 17842 149 1 . 1 1 37 37 ASN N N 38 120.770 120.770 118.589 2.181 17842 150 1 . 1 1 37 37 ASN C C 38 174.821 174.821 174.404 0.417 17842 151 1 . 1 1 37 37 ASN CA C 38 53.157 53.157 53.363 -0.206 17842 152 1 . 1 1 37 37 ASN CB C 38 38.663 38.663 39.738 -1.075 17842 153 1 . 1 1 37 37 ASN H H 38 8.334 8.334 8.415 -0.081 17842 154 1 . 1 1 38 38 THR N N 39 115.976 115.976 114.044 1.932 17842 155 1 . 1 1 38 38 THR C C 39 175.226 175.226 173.876 1.350 17842 156 1 . 1 1 38 38 THR CA C 39 62.215 62.215 61.755 0.460 17842 157 1 . 1 1 38 38 THR CB C 39 69.618 69.618 70.162 -0.544 17842 158 1 . 1 1 38 38 THR H H 39 8.508 8.508 8.166 0.342 17842 159 1 . 1 1 39 39 GLY N N 40 115.818 115.818 111.340 4.478 17842 160 1 . 1 1 39 39 GLY C C 40 172.862 172.862 172.793 0.069 17842 161 1 . 1 1 39 39 GLY CA C 40 46.168 46.168 45.358 0.810 17842 162 1 . 1 1 39 39 GLY H H 40 8.819 8.819 8.187 0.632 17842 163 1 . 1 1 40 40 THR N N 41 119.787 119.787 115.424 4.362 17842 164 1 . 1 1 40 40 THR C C 41 172.914 172.914 173.487 -0.573 17842 165 1 . 1 1 40 40 THR CA C 41 61.321 61.321 61.120 0.201 17842 166 1 . 1 1 40 40 THR CB C 41 71.499 71.499 70.649 0.850 17842 167 1 . 1 1 40 40 THR H H 41 8.117 8.117 8.060 0.057 17842 168 1 . 1 1 41 41 TRP N N 42 128.090 128.090 127.015 1.075 17842 169 1 . 1 1 41 41 TRP C C 42 174.627 174.627 174.874 -0.247 17842 170 1 . 1 1 41 41 TRP CA C 42 55.122 55.122 55.647 -0.525 17842 171 1 . 1 1 41 41 TRP CB C 42 31.905 31.905 32.035 -0.130 17842 172 1 . 1 1 41 41 TRP H H 42 8.178 8.178 8.509 -0.331 17842 173 1 . 1 1 42 42 GLY N N 43 109.883 109.883 109.805 0.078 17842 174 1 . 1 1 42 42 GLY C C 43 172.317 172.317 172.177 0.140 17842 175 1 . 1 1 42 42 GLY CA C 43 44.176 44.176 44.927 -0.751 17842 176 1 . 1 1 42 42 GLY H H 43 8.892 8.892 8.258 0.634 17842 177 1 . 1 1 43 43 ILE N N 44 118.005 118.005 118.334 -0.329 17842 178 1 . 1 1 43 43 ILE C C 44 173.071 173.071 174.226 -1.155 17842 179 1 . 1 1 43 43 ILE CA C 44 58.606 58.606 59.848 -1.242 17842 180 1 . 1 1 43 43 ILE CB C 44 42.130 42.130 41.760 0.370 17842 181 1 . 1 1 43 43 ILE H H 44 8.879 8.879 7.814 1.065 17842 182 1 . 1 1 44 44 ARG N N 45 120.855 120.855 121.665 -0.810 17842 183 1 . 1 1 44 44 ARG C C 45 174.942 174.942 174.648 0.294 17842 184 1 . 1 1 44 44 ARG CA C 45 52.889 52.889 54.287 -1.398 17842 185 1 . 1 1 44 44 ARG CB C 45 33.952 33.952 34.543 -0.591 17842 186 1 . 1 1 44 44 ARG H H 45 8.708 8.708 8.980 -0.272 17842 187 1 . 1 1 45 45 ALA N N 46 119.127 119.127 126.993 -7.866 17842 188 1 . 1 1 45 45 ALA C C 46 175.693 175.693 175.228 0.465 17842 189 1 . 1 1 45 45 ALA CA C 46 50.620 50.620 52.177 -1.556 17842 190 1 . 1 1 45 45 ALA CB C 46 21.782 21.782 21.732 0.050 17842 191 1 . 1 1 45 45 ALA H H 46 8.419 8.419 8.480 -0.061 17842 192 1 . 1 1 46 46 GLY N N 47 107.350 107.350 109.879 -2.529 17842 193 1 . 1 1 46 46 GLY C C 47 171.353 171.353 171.814 -0.461 17842 194 1 . 1 1 46 46 GLY CA C 47 45.630 45.630 45.603 0.027 17842 195 1 . 1 1 46 46 GLY H H 47 7.819 7.819 8.990 -1.171 17842 196 1 . 1 1 47 47 GLN N N 48 118.061 118.061 119.059 -0.998 17842 197 1 . 1 1 47 47 GLN C C 48 173.671 173.671 174.190 -0.519 17842 198 1 . 1 1 47 47 GLN CA C 48 54.365 54.365 54.723 -0.358 17842 199 1 . 1 1 47 47 GLN CB C 48 32.912 32.912 32.689 0.223 17842 200 1 . 1 1 47 47 GLN H H 48 8.483 8.483 8.101 0.382 17842 201 1 . 1 1 48 48 GLN N N 49 122.691 122.691 123.692 -1.001 17842 202 1 . 1 1 48 48 GLN C C 49 173.291 173.291 174.545 -1.254 17842 203 1 . 1 1 48 48 GLN CA C 49 54.593 54.593 55.604 -1.011 17842 204 1 . 1 1 48 48 GLN CB C 49 30.750 30.750 30.963 -0.213 17842 205 1 . 1 1 48 48 GLN H H 49 9.319 9.319 9.061 0.258 17842 206 1 . 1 1 49 49 PHE N N 50 126.379 126.379 124.727 1.652 17842 207 1 . 1 1 49 49 PHE C C 50 175.918 175.918 176.129 -0.211 17842 208 1 . 1 1 49 49 PHE CA C 50 55.013 55.013 56.332 -1.320 17842 209 1 . 1 1 49 49 PHE CB C 50 39.974 39.974 41.701 -1.728 17842 210 1 . 1 1 49 49 PHE H H 50 8.781 8.781 9.095 -0.314 17842 211 1 . 1 1 50 50 GLU N N 51 121.087 121.087 120.460 0.627 17842 212 1 . 1 1 50 50 GLU C C 51 178.452 178.452 176.614 1.838 17842 213 1 . 1 1 50 50 GLU CA C 51 60.435 60.435 59.079 1.356 17842 214 1 . 1 1 50 50 GLU CB C 51 28.686 28.686 29.564 -0.878 17842 215 1 . 1 1 50 50 GLU H H 51 8.975 8.975 8.665 0.310 17842 216 1 . 1 1 51 51 GLN N N 52 111.198 111.198 116.634 -5.436 17842 217 1 . 1 1 51 51 GLN C C 52 176.031 176.031 174.897 1.134 17842 218 1 . 1 1 51 51 GLN CA C 52 55.836 55.836 55.257 0.579 17842 219 1 . 1 1 51 51 GLN CB C 52 28.617 28.617 29.520 -0.903 17842 220 1 . 1 1 51 51 GLN H H 52 7.955 7.955 8.186 -0.231 17842 221 1 . 1 1 52 52 GLY N N 53 110.800 110.800 107.041 3.759 17842 222 1 . 1 1 52 52 GLY C C 53 169.076 169.076 171.986 -2.910 17842 223 1 . 1 1 52 52 GLY CA C 53 45.303 45.303 45.241 0.062 17842 224 1 . 1 1 52 52 GLY H H 53 6.696 6.696 7.623 -0.927 17842 225 1 . 1 1 53 53 ARG N N 54 111.857 111.857 120.229 -8.373 17842 226 1 . 1 1 53 53 ARG C C 54 172.397 172.397 173.953 -1.556 17842 227 1 . 1 1 53 53 ARG CA C 54 54.227 54.227 54.963 -0.736 17842 228 1 . 1 1 53 53 ARG CB C 54 31.755 31.755 34.064 -2.310 17842 229 1 . 1 1 53 53 ARG H H 54 8.216 8.216 8.863 -0.647 17842 230 1 . 1 1 54 54 TYR N N 55 116.379 116.379 123.997 -7.618 17842 231 1 . 1 1 54 54 TYR C C 55 175.461 175.461 174.824 0.637 17842 232 1 . 1 1 54 54 TYR CA C 55 55.296 55.296 55.903 -0.607 17842 233 1 . 1 1 54 54 TYR CB C 55 41.539 41.539 41.868 -0.329 17842 234 1 . 1 1 54 54 TYR H H 55 8.477 8.477 8.992 -0.515 17842 235 1 . 1 1 55 55 TYR N N 56 114.651 114.651 118.959 -4.308 17842 236 1 . 1 1 55 55 TYR C C 56 173.431 173.431 172.996 0.435 17842 237 1 . 1 1 55 55 TYR CA C 56 55.886 55.886 57.101 -1.215 17842 238 1 . 1 1 55 55 TYR CB C 56 37.595 37.595 39.469 -1.874 17842 239 1 . 1 1 55 55 TYR H H 56 8.221 8.221 8.156 0.065 17842 240 1 . 1 1 56 56 ALA N N 57 125.460 125.460 126.584 -1.124 17842 241 1 . 1 1 56 56 ALA C C 57 175.737 175.737 176.403 -0.666 17842 242 1 . 1 1 56 56 ALA CA C 57 49.148 49.148 50.291 -1.143 17842 243 1 . 1 1 56 56 ALA CB C 57 20.777 20.777 21.048 -0.271 17842 244 1 . 1 1 56 56 ALA H H 57 9.034 9.034 8.380 0.654 17842 245 1 . 1 1 57 57 THR N N 58 116.923 116.923 117.289 -0.366 17842 246 1 . 1 1 57 57 THR C C 58 173.462 173.462 173.566 -0.104 17842 247 1 . 1 1 57 57 THR CA C 58 61.458 61.458 60.488 0.970 17842 248 1 . 1 1 57 57 THR CB C 58 71.683 71.683 70.752 0.931 17842 249 1 . 1 1 57 57 THR H H 58 8.907 8.907 8.576 0.331 17842 250 1 . 1 1 58 58 TYR N N 59 126.784 126.784 127.356 -0.572 17842 251 1 . 1 1 58 58 TYR C C 59 173.954 173.954 174.859 -0.905 17842 252 1 . 1 1 58 58 TYR CA C 59 55.682 55.682 56.839 -1.157 17842 253 1 . 1 1 58 58 TYR CB C 59 41.320 41.320 39.228 2.092 17842 254 1 . 1 1 58 58 TYR H H 59 8.974 8.974 8.342 0.632 17842 255 1 . 1 1 59 59 GLU N N 60 124.211 124.211 123.757 0.454 17842 256 1 . 1 1 59 59 GLU C C 60 173.989 173.989 175.216 -1.227 17842 257 1 . 1 1 59 59 GLU CA C 60 52.924 52.924 54.751 -1.827 17842 258 1 . 1 1 59 59 GLU CB C 60 33.742 33.742 33.550 0.192 17842 259 1 . 1 1 59 59 GLU H H 60 8.049 8.049 8.698 -0.649 17842 260 1 . 1 1 60 60 ASN N N 61 118.358 118.358 117.575 0.784 17842 261 1 . 1 1 60 60 ASN C C 61 173.609 173.609 173.883 -0.274 17842 262 1 . 1 1 60 60 ASN CA C 61 52.281 52.281 52.869 -0.588 17842 263 1 . 1 1 60 60 ASN H H 61 8.155 8.155 8.343 -0.188 17842 264 1 . 1 1 61 61 ILE C C 62 174.902 174.902 175.293 -0.391 17842 265 1 . 1 1 61 61 ILE CA C 62 60.980 60.980 60.745 0.235 17842 266 1 . 1 1 61 61 ILE CB C 62 40.772 40.772 39.215 1.557 17842 267 1 . 1 1 62 62 SER N N 63 121.368 121.368 121.538 -0.170 17842 268 1 . 1 1 62 62 SER C C 63 173.027 173.027 173.955 -0.928 17842 269 1 . 1 1 62 62 SER CA C 63 57.295 57.295 58.928 -1.633 17842 270 1 . 1 1 62 62 SER CB C 63 64.306 64.306 63.738 0.568 17842 271 1 . 1 1 62 62 SER H H 63 8.339 8.339 8.758 -0.419 17842 272 1 . 1 1 63 63 ASP N N 64 124.300 124.300 122.388 1.912 17842 273 1 . 1 1 63 63 ASP C C 64 176.570 176.570 175.634 0.936 17842 274 1 . 1 1 63 63 ASP CA C 64 53.291 53.291 54.324 -1.033 17842 275 1 . 1 1 63 63 ASP CB C 64 42.484 42.484 42.211 0.273 17842 276 1 . 1 1 63 63 ASP H H 64 8.596 8.596 8.375 0.221 17842 277 1 . 1 1 64 64 THR N N 65 116.756 116.756 114.121 2.635 17842 278 1 . 1 1 64 64 THR C C 65 175.975 175.975 175.215 0.760 17842 279 1 . 1 1 64 64 THR CA C 65 61.608 61.608 62.032 -0.424 17842 280 1 . 1 1 64 64 THR CB C 65 68.856 68.856 69.606 -0.750 17842 281 1 . 1 1 64 64 THR H H 65 8.581 8.581 8.154 0.427 17842 282 1 . 1 1 65 65 SER N N 66 119.276 119.276 118.706 0.570 17842 283 1 . 1 1 65 65 SER CA C 66 59.728 59.728 60.227 -0.499 17842 284 1 . 1 1 65 65 SER CB C 66 63.514 63.514 63.350 0.164 17842 285 1 . 1 1 65 65 SER H H 66 8.492 8.492 8.567 -0.075 17842 286 1 . 1 1 66 66 SER C C 67 175.122 175.122 174.858 0.264 17842 287 1 . 1 1 66 66 SER CA C 67 58.554 58.554 58.784 -0.230 17842 288 1 . 1 1 67 67 GLY N N 68 110.266 110.266 109.923 0.343 17842 289 1 . 1 1 67 67 GLY C C 68 173.832 173.832 173.340 0.492 17842 290 1 . 1 1 67 67 GLY CA C 68 45.207 45.207 44.818 0.389 17842 291 1 . 1 1 67 67 GLY H H 68 8.184 8.184 7.942 0.242 17842 292 1 . 1 1 68 68 ASN N N 69 118.584 118.584 119.981 -1.397 17842 293 1 . 1 1 68 68 ASN C C 69 174.239 174.239 174.834 -0.595 17842 294 1 . 1 1 68 68 ASN CA C 69 52.730 52.730 52.735 -0.005 17842 295 1 . 1 1 68 68 ASN CB C 69 38.938 38.938 39.944 -1.006 17842 296 1 . 1 1 68 68 ASN H H 69 7.972 7.972 8.293 -0.321 17842 297 1 . 1 1 72 72 GLN C C 73 173.610 173.610 174.237 -0.627 17842 298 1 . 1 1 72 72 GLN CA C 73 53.449 53.449 55.000 -1.551 17842 299 1 . 1 1 73 73 GLN N N 74 123.659 123.659 119.905 3.754 17842 300 1 . 1 1 73 73 GLN C C 74 173.276 173.276 173.892 -0.616 17842 301 1 . 1 1 73 73 GLN CA C 74 53.544 53.544 54.997 -1.453 17842 302 1 . 1 1 73 73 GLN CB C 74 34.344 34.344 33.046 1.298 17842 303 1 . 1 1 73 73 GLN H H 74 8.697 8.697 8.219 0.478 17842 304 1 . 1 1 74 74 ASN N N 75 118.720 118.720 121.578 -2.857 17842 305 1 . 1 1 74 74 ASN C C 75 173.733 173.733 173.454 0.279 17842 306 1 . 1 1 74 74 ASN CA C 75 50.269 50.269 52.787 -2.518 17842 307 1 . 1 1 74 74 ASN CB C 75 40.070 40.070 41.352 -1.282 17842 308 1 . 1 1 74 74 ASN H H 75 8.295 8.295 8.426 -0.131 17842 309 1 . 1 1 75 75 LEU N N 76 124.353 124.353 125.693 -1.340 17842 310 1 . 1 1 75 75 LEU C C 76 174.267 174.267 174.553 -0.286 17842 311 1 . 1 1 75 75 LEU CA C 76 53.916 53.916 53.991 -0.075 17842 312 1 . 1 1 75 75 LEU CB C 76 44.633 44.633 43.818 0.815 17842 313 1 . 1 1 75 75 LEU H H 76 8.847 8.847 8.234 0.613 17842 314 1 . 1 1 76 76 LEU N N 77 124.437 124.437 123.710 0.727 17842 315 1 . 1 1 76 76 LEU C C 77 175.188 175.188 175.136 0.052 17842 316 1 . 1 1 76 76 LEU CA C 77 52.934 52.934 53.909 -0.975 17842 317 1 . 1 1 76 76 LEU CB C 77 45.115 45.115 45.763 -0.648 17842 318 1 . 1 1 76 76 LEU H H 77 9.222 9.222 8.033 1.189 17842 319 1 . 1 1 77 77 GLY N N 78 107.288 107.288 109.627 -2.339 17842 320 1 . 1 1 77 77 GLY C C 78 171.733 171.733 173.032 -1.299 17842 321 1 . 1 1 77 77 GLY CA C 78 44.160 44.160 44.124 0.036 17842 322 1 . 1 1 77 77 GLY H H 78 9.132 9.132 8.820 0.312 17842 323 1 . 1 1 78 78 SER N N 79 117.437 117.437 121.279 -3.842 17842 324 1 . 1 1 78 78 SER C C 79 171.279 171.279 172.694 -1.415 17842 325 1 . 1 1 78 78 SER CA C 79 57.272 57.272 57.028 0.244 17842 326 1 . 1 1 78 78 SER CB C 79 65.596 65.596 65.049 0.547 17842 327 1 . 1 1 78 78 SER H H 79 8.210 8.210 8.104 0.106 17842 328 1 . 1 1 79 79 TYR N N 80 122.901 122.901 125.373 -2.472 17842 329 1 . 1 1 79 79 TYR C C 80 173.757 173.757 173.827 -0.070 17842 330 1 . 1 1 79 79 TYR CA C 80 56.243 56.243 56.500 -0.257 17842 331 1 . 1 1 79 79 TYR CB C 80 42.570 42.570 40.463 2.107 17842 332 1 . 1 1 79 79 TYR H H 80 8.092 8.092 8.771 -0.679 17842 333 1 . 1 1 80 80 ASP N N 81 122.808 122.808 125.173 -2.365 17842 334 1 . 1 1 80 80 ASP C C 81 173.607 173.607 173.825 -0.218 17842 335 1 . 1 1 80 80 ASP CA C 81 52.665 52.665 52.691 -0.026 17842 336 1 . 1 1 80 80 ASP CB C 81 45.787 45.787 45.408 0.379 17842 337 1 . 1 1 80 80 ASP H H 81 8.268 8.268 8.745 -0.477 17842 338 1 . 1 1 81 81 ALA N N 82 121.201 121.201 121.675 -0.474 17842 339 1 . 1 1 81 81 ALA C C 82 177.094 177.094 176.370 0.725 17842 340 1 . 1 1 81 81 ALA CA C 82 49.745 49.745 50.740 -0.995 17842 341 1 . 1 1 81 81 ALA CB C 82 21.511 21.511 20.742 0.769 17842 342 1 . 1 1 81 81 ALA H H 82 8.931 8.931 8.313 0.618 17842 343 1 . 1 1 82 82 PHE N N 83 116.305 116.305 122.069 -5.764 17842 344 1 . 1 1 82 82 PHE C C 83 176.299 176.299 174.110 2.189 17842 345 1 . 1 1 82 82 PHE CA C 83 52.664 52.664 55.630 -2.966 17842 346 1 . 1 1 82 82 PHE CB C 83 42.121 42.121 41.142 0.979 17842 347 1 . 1 1 82 82 PHE H H 83 7.404 7.404 8.335 -0.931 17842 348 1 . 1 1 83 83 LEU N N 84 122.208 122.208 120.257 1.951 17842 349 1 . 1 1 83 83 LEU C C 84 173.599 173.599 174.488 -0.889 17842 350 1 . 1 1 83 83 LEU CA C 84 51.874 51.874 52.512 -0.638 17842 351 1 . 1 1 83 83 LEU CB C 84 45.366 45.366 46.223 -0.857 17842 352 1 . 1 1 83 83 LEU H H 84 9.049 9.049 7.995 1.054 17842 353 1 . 1 1 84 84 PRO C C 85 175.877 175.877 176.084 -0.207 17842 354 1 . 1 1 84 84 PRO CA C 85 63.041 63.041 63.244 -0.203 17842 355 1 . 1 1 84 84 PRO CB C 85 31.486 31.486 31.274 0.212 17842 356 1 . 1 1 85 85 ILE N N 86 119.588 119.588 125.834 -6.246 17842 357 1 . 1 1 85 85 ILE C C 86 175.749 175.749 175.304 0.445 17842 358 1 . 1 1 85 85 ILE CA C 86 59.267 59.267 60.248 -0.981 17842 359 1 . 1 1 85 85 ILE CB C 86 39.835 39.835 38.767 1.068 17842 360 1 . 1 1 85 85 ILE H H 86 8.205 8.205 7.983 0.222 17842 361 1 . 1 1 86 86 GLY N N 87 112.396 112.396 116.506 -4.110 17842 362 1 . 1 1 86 86 GLY C C 87 174.218 174.218 173.705 0.513 17842 363 1 . 1 1 86 86 GLY CA C 87 45.692 45.692 45.544 0.148 17842 364 1 . 1 1 86 86 GLY H H 87 8.364 8.364 8.636 -0.272 17842 365 1 . 1 1 87 87 ASP N N 88 122.109 122.109 121.361 0.748 17842 366 1 . 1 1 87 87 ASP C C 88 175.839 175.839 175.878 -0.040 17842 367 1 . 1 1 87 87 ASP CA C 88 53.535 53.535 54.752 -1.217 17842 368 1 . 1 1 87 87 ASP CB C 88 41.132 41.132 41.925 -0.793 17842 369 1 . 1 1 87 87 ASP H H 88 8.249 8.249 8.355 -0.106 17842 370 1 . 1 1 88 88 ASN N N 89 116.308 116.308 116.364 -0.056 17842 371 1 . 1 1 88 88 ASN C C 89 175.100 175.100 174.218 0.882 17842 372 1 . 1 1 88 88 ASN CA C 89 53.922 53.922 54.146 -0.224 17842 373 1 . 1 1 88 88 ASN CB C 89 38.183 38.183 38.737 -0.554 17842 374 1 . 1 1 88 88 ASN H H 89 8.449 8.449 8.489 -0.040 17842 375 1 . 1 1 89 89 ASN N N 90 115.987 115.987 116.374 -0.388 17842 376 1 . 1 1 89 89 ASN C C 90 173.909 173.909 174.493 -0.585 17842 377 1 . 1 1 89 89 ASN CA C 90 54.386 54.386 53.548 0.838 17842 378 1 . 1 1 89 89 ASN CB C 90 37.657 37.657 39.602 -1.945 17842 379 1 . 1 1 89 89 ASN H H 90 8.477 8.477 8.441 0.036 17842 380 1 . 1 1 90 90 THR N N 91 116.991 116.991 112.778 4.213 17842 381 1 . 1 1 90 90 THR C C 91 173.763 173.763 173.270 0.493 17842 382 1 . 1 1 90 90 THR CA C 91 62.170 62.170 61.695 0.475 17842 383 1 . 1 1 90 90 THR CB C 91 68.706 68.706 70.785 -2.079 17842 384 1 . 1 1 90 90 THR H H 91 7.600 7.600 7.744 -0.144 17842 385 1 . 1 1 91 91 LYS N N 92 124.349 124.349 124.529 -0.180 17842 386 1 . 1 1 91 91 LYS C C 92 175.815 175.815 176.390 -0.575 17842 387 1 . 1 1 91 91 LYS CA C 92 54.406 54.406 55.112 -0.707 17842 388 1 . 1 1 91 91 LYS CB C 92 34.498 34.498 33.605 0.893 17842 389 1 . 1 1 91 91 LYS H H 92 9.249 9.249 8.631 0.618 17842 390 1 . 1 1 92 92 LEU N N 93 123.462 123.462 128.938 -5.476 17842 391 1 . 1 1 92 92 LEU C C 93 176.260 176.260 175.656 0.604 17842 392 1 . 1 1 92 92 LEU CA C 93 53.829 53.829 55.090 -1.261 17842 393 1 . 1 1 92 92 LEU CB C 93 43.614 43.614 41.913 1.701 17842 394 1 . 1 1 92 92 LEU H H 93 8.650 8.650 8.183 0.467 17842 395 1 . 1 1 93 93 PHE N N 94 119.497 119.497 123.303 -3.806 17842 396 1 . 1 1 93 93 PHE C C 94 173.154 173.154 175.038 -1.884 17842 397 1 . 1 1 93 93 PHE CA C 94 55.136 55.136 54.544 0.592 17842 398 1 . 1 1 93 93 PHE CB C 94 44.093 44.093 42.146 1.947 17842 399 1 . 1 1 93 93 PHE H H 94 8.485 8.485 7.583 0.902 17842 400 1 . 1 1 94 94 GLY N N 95 105.945 105.945 107.584 -1.639 17842 401 1 . 1 1 94 94 GLY C C 95 171.815 171.815 172.560 -0.745 17842 402 1 . 1 1 94 94 GLY CA C 95 44.382 44.382 45.254 -0.872 17842 403 1 . 1 1 94 94 GLY H H 95 8.256 8.256 8.191 0.065 17842 404 1 . 1 1 95 95 GLY N N 96 110.432 110.432 109.714 0.718 17842 405 1 . 1 1 95 95 GLY C C 96 171.826 171.826 171.958 -0.132 17842 406 1 . 1 1 95 95 GLY CA C 96 46.886 46.886 45.943 0.943 17842 407 1 . 1 1 95 95 GLY H H 96 9.005 9.005 8.676 0.329 17842 408 1 . 1 1 96 96 ALA N N 97 117.509 117.509 121.669 -4.160 17842 409 1 . 1 1 96 96 ALA C C 97 176.928 176.928 175.387 1.541 17842 410 1 . 1 1 96 96 ALA CA C 97 49.401 49.401 50.127 -0.726 17842 411 1 . 1 1 96 96 ALA CB C 97 23.425 23.425 22.345 1.080 17842 412 1 . 1 1 96 96 ALA H H 97 8.039 8.039 8.187 -0.148 17842 413 1 . 1 1 97 97 THR N N 98 118.891 118.891 112.541 6.350 17842 414 1 . 1 1 97 97 THR C C 98 172.492 172.492 173.175 -0.683 17842 415 1 . 1 1 97 97 THR CA C 98 61.730 61.730 60.684 1.046 17842 416 1 . 1 1 97 97 THR CB C 98 73.046 73.046 71.509 1.537 17842 417 1 . 1 1 97 97 THR H H 98 8.379 8.379 8.082 0.297 17842 418 1 . 1 1 98 98 LEU N N 99 124.958 124.958 122.699 2.259 17842 419 1 . 1 1 98 98 LEU C C 99 175.753 175.753 175.033 0.720 17842 420 1 . 1 1 98 98 LEU CA C 99 53.474 53.474 54.864 -1.390 17842 421 1 . 1 1 98 98 LEU CB C 99 47.243 47.243 45.959 1.284 17842 422 1 . 1 1 98 98 LEU H H 99 8.880 8.880 8.460 0.420 17842 423 1 . 1 1 99 99 GLY N N 100 106.645 106.645 110.670 -4.025 17842 424 1 . 1 1 99 99 GLY C C 100 169.886 169.886 171.962 -2.076 17842 425 1 . 1 1 99 99 GLY CA C 100 46.631 46.631 44.770 1.861 17842 426 1 . 1 1 99 99 GLY H H 100 8.635 8.635 8.218 0.417 17842 427 1 . 1 1 100 100 LEU N N 101 121.823 121.823 119.492 2.331 17842 428 1 . 1 1 100 100 LEU C C 101 174.876 174.876 174.824 0.052 17842 429 1 . 1 1 100 100 LEU CA C 101 53.071 53.071 54.720 -1.649 17842 430 1 . 1 1 100 100 LEU CB C 101 46.646 46.646 46.283 0.363 17842 431 1 . 1 1 100 100 LEU H H 101 9.088 9.088 8.601 0.487 17842 432 1 . 1 1 101 101 VAL N N 102 118.857 118.857 122.152 -3.295 17842 433 1 . 1 1 101 101 VAL C C 102 174.015 174.015 174.571 -0.556 17842 434 1 . 1 1 101 101 VAL CA C 102 59.666 59.666 60.351 -0.685 17842 435 1 . 1 1 101 101 VAL CB C 102 35.406 35.406 33.674 1.732 17842 436 1 . 1 1 101 101 VAL H H 102 8.291 8.291 8.361 -0.070 17842 437 1 . 1 1 102 102 LYS N N 103 126.552 126.552 126.575 -0.023 17842 438 1 . 1 1 102 102 LYS C C 103 174.712 174.712 174.412 0.300 17842 439 1 . 1 1 102 102 LYS CA C 103 54.433 54.433 54.944 -0.511 17842 440 1 . 1 1 102 102 LYS CB C 103 35.733 35.733 35.616 0.117 17842 441 1 . 1 1 102 102 LYS H H 103 9.141 9.141 8.146 0.995 17842 442 1 . 1 1 103 103 LEU N N 104 129.605 129.605 124.352 5.253 17842 443 1 . 1 1 103 103 LEU C C 104 175.344 175.344 175.347 -0.003 17842 444 1 . 1 1 103 103 LEU CA C 104 53.492 53.492 53.975 -0.482 17842 445 1 . 1 1 103 103 LEU CB C 104 45.004 45.004 45.049 -0.045 17842 446 1 . 1 1 103 103 LEU H H 104 8.921 8.921 8.422 0.499 17842 447 1 . 1 1 104 104 GLU C C 105 174.715 174.715 175.079 -0.364 17842 448 1 . 1 1 104 104 GLU CA C 105 54.626 54.626 55.431 -0.805 17842 449 1 . 1 1 104 104 GLU CB C 105 33.055 33.055 32.513 0.542 17842 450 1 . 1 1 105 105 GLN N N 106 121.991 121.991 121.206 0.785 17842 451 1 . 1 1 105 105 GLN C C 106 175.002 175.002 174.753 0.249 17842 452 1 . 1 1 105 105 GLN CA C 106 54.679 54.679 55.232 -0.553 17842 453 1 . 1 1 105 105 GLN CB C 106 30.252 30.252 30.809 -0.556 17842 454 1 . 1 1 105 105 GLN H H 106 8.532 8.532 8.438 0.094 17842 455 1 . 1 1 106 106 ASP N N 107 123.884 123.884 120.996 2.888 17842 456 1 . 1 1 106 106 ASP C C 107 176.352 176.352 176.104 0.248 17842 457 1 . 1 1 106 106 ASP CA C 107 54.108 54.108 54.205 -0.097 17842 458 1 . 1 1 106 106 ASP CB C 107 41.448 41.448 41.458 -0.010 17842 459 1 . 1 1 106 106 ASP H H 107 8.414 8.414 8.525 -0.111 17842 460 1 . 1 1 107 107 GLY N N 108 110.294 110.294 109.288 1.006 17842 461 1 . 1 1 107 107 GLY C C 108 174.111 174.111 174.063 0.048 17842 462 1 . 1 1 107 107 GLY CA C 108 44.992 44.992 45.111 -0.119 17842 463 1 . 1 1 107 107 GLY H H 108 8.226 8.226 8.327 -0.101 17842 464 1 . 1 1 108 108 LYS N N 109 121.045 121.045 120.919 0.126 17842 465 1 . 1 1 108 108 LYS C C 109 176.988 176.988 176.611 0.377 17842 466 1 . 1 1 108 108 LYS CA C 109 56.243 56.243 56.299 -0.056 17842 467 1 . 1 1 108 108 LYS CB C 109 31.957 31.957 32.772 -0.815 17842 468 1 . 1 1 108 108 LYS H H 109 8.130 8.130 8.304 -0.174 17842 469 1 . 1 1 109 109 GLY N N 110 109.975 109.975 110.306 -0.331 17842 470 1 . 1 1 109 109 GLY C C 110 173.856 173.856 173.791 0.065 17842 471 1 . 1 1 109 109 GLY CA C 110 44.969 44.969 44.899 0.070 17842 472 1 . 1 1 109 109 GLY H H 110 8.313 8.313 8.189 0.124 17842 473 1 . 1 1 110 110 PHE N N 111 119.873 119.873 121.725 -1.852 17842 474 1 . 1 1 110 110 PHE C C 111 175.195 175.195 175.401 -0.206 17842 475 1 . 1 1 110 110 PHE CA C 111 57.334 57.334 57.262 0.072 17842 476 1 . 1 1 110 110 PHE CB C 111 39.311 39.311 39.921 -0.610 17842 477 1 . 1 1 110 110 PHE H H 111 7.848 7.848 8.115 -0.267 17842 478 1 . 1 1 111 111 LYS N N 112 122.900 122.900 124.020 -1.119 17842 479 1 . 1 1 111 111 LYS C C 112 175.898 175.898 175.967 -0.069 17842 480 1 . 1 1 111 111 LYS CA C 112 55.928 55.928 55.954 -0.026 17842 481 1 . 1 1 111 111 LYS CB C 112 32.741 32.741 33.404 -0.662 17842 482 1 . 1 1 111 111 LYS H H 112 8.073 8.073 8.447 -0.374 17842 483 1 . 1 1 112 112 ARG N N 113 123.302 123.302 122.270 1.032 17842 484 1 . 1 1 112 112 ARG C C 113 175.762 175.762 175.412 0.350 17842 485 1 . 1 1 112 112 ARG CA C 113 55.877 55.877 56.480 -0.603 17842 486 1 . 1 1 112 112 ARG CB C 113 30.678 30.678 31.171 -0.493 17842 487 1 . 1 1 112 112 ARG H H 113 8.277 8.277 8.516 -0.239 17842 488 1 . 1 1 113 113 ASP N N 114 122.193 122.193 120.992 1.201 17842 489 1 . 1 1 113 113 ASP C C 114 175.875 175.875 175.587 0.288 17842 490 1 . 1 1 113 113 ASP CA C 114 54.219 54.219 54.430 -0.211 17842 491 1 . 1 1 113 113 ASP CB C 114 41.279 41.279 41.571 -0.292 17842 492 1 . 1 1 113 113 ASP H H 114 8.300 8.300 8.424 -0.124 17842 493 1 . 1 1 114 114 SER N N 115 114.844 114.844 117.373 -2.529 17842 494 1 . 1 1 114 114 SER C C 115 173.567 173.567 173.811 -0.244 17842 495 1 . 1 1 114 114 SER CA C 115 57.538 57.538 58.764 -1.226 17842 496 1 . 1 1 114 114 SER CB C 115 64.306 64.306 64.089 0.217 17842 497 1 . 1 1 114 114 SER H H 115 8.071 8.071 8.407 -0.336 17842 498 1 . 1 1 115 115 ASP N N 116 122.371 122.371 122.467 -0.096 17842 499 1 . 1 1 115 115 ASP C C 116 175.096 175.096 174.673 0.423 17842 500 1 . 1 1 115 115 ASP CA C 116 53.960 53.960 54.795 -0.835 17842 501 1 . 1 1 115 115 ASP CB C 116 42.394 42.394 41.208 1.186 17842 502 1 . 1 1 115 115 ASP H H 116 8.400 8.400 8.495 -0.095 17842 503 1 . 1 1 116 116 VAL N N 117 120.462 120.462 118.612 1.850 17842 504 1 . 1 1 116 116 VAL C C 117 175.349 175.349 174.950 0.399 17842 505 1 . 1 1 116 116 VAL CA C 117 60.785 60.785 60.925 -0.140 17842 506 1 . 1 1 116 116 VAL CB C 117 33.507 33.507 33.406 0.101 17842 507 1 . 1 1 116 116 VAL H H 117 8.014 8.014 7.761 0.253 17842 508 1 . 1 1 117 117 GLY N N 118 112.807 112.807 112.977 -0.170 17842 509 1 . 1 1 117 117 GLY C C 118 172.079 172.079 172.275 -0.196 17842 510 1 . 1 1 117 117 GLY CA C 118 43.255 43.255 44.618 -1.363 17842 511 1 . 1 1 117 117 GLY H H 118 8.871 8.871 8.003 0.868 17842 512 1 . 1 1 118 118 TYR N N 119 117.704 117.704 122.068 -4.364 17842 513 1 . 1 1 118 118 TYR C C 119 175.024 175.024 174.360 0.664 17842 514 1 . 1 1 118 118 TYR CA C 119 55.968 55.968 57.512 -1.544 17842 515 1 . 1 1 118 118 TYR CB C 119 41.089 41.089 40.099 0.989 17842 516 1 . 1 1 118 118 TYR H H 119 8.406 8.406 8.480 -0.074 17842 517 1 . 1 1 119 119 ALA N N 120 122.050 122.050 127.258 -5.208 17842 518 1 . 1 1 119 119 ALA C C 120 175.218 175.218 175.539 -0.321 17842 519 1 . 1 1 119 119 ALA CA C 120 49.661 49.661 49.969 -0.308 17842 520 1 . 1 1 119 119 ALA CB C 120 23.187 23.187 21.728 1.459 17842 521 1 . 1 1 119 119 ALA H H 120 8.605 8.605 8.065 0.540 17842 522 1 . 1 1 120 120 ALA N N 121 119.839 119.839 124.645 -4.805 17842 523 1 . 1 1 120 120 ALA C C 121 175.881 175.881 175.761 0.120 17842 524 1 . 1 1 120 120 ALA CA C 121 50.340 50.340 52.080 -1.740 17842 525 1 . 1 1 120 120 ALA CB C 121 22.465 22.465 21.811 0.654 17842 526 1 . 1 1 120 120 ALA H H 121 8.476 8.476 8.058 0.418 17842 527 1 . 1 1 121 121 GLY N N 122 107.807 107.807 108.809 -1.002 17842 528 1 . 1 1 121 121 GLY C C 122 171.191 171.191 172.086 -0.895 17842 529 1 . 1 1 121 121 GLY CA C 122 46.065 46.065 45.739 0.326 17842 530 1 . 1 1 121 121 GLY H H 122 8.931 8.931 8.344 0.587 17842 531 1 . 1 1 122 122 LEU N N 123 118.400 118.400 118.980 -0.580 17842 532 1 . 1 1 122 122 LEU C C 123 174.684 174.684 174.489 0.195 17842 533 1 . 1 1 122 122 LEU CA C 123 53.227 53.227 54.342 -1.115 17842 534 1 . 1 1 122 122 LEU CB C 123 48.385 48.385 46.917 1.468 17842 535 1 . 1 1 122 122 LEU H H 123 8.351 8.351 8.348 0.003 17842 536 1 . 1 1 123 123 GLN N N 124 113.455 113.455 117.649 -4.194 17842 537 1 . 1 1 123 123 GLN C C 124 173.895 173.895 173.776 0.119 17842 538 1 . 1 1 123 123 GLN CA C 124 54.004 54.004 54.784 -0.780 17842 539 1 . 1 1 123 123 GLN CB C 124 28.135 28.135 33.628 -5.493 17842 540 1 . 1 1 123 123 GLN H H 124 8.159 8.159 8.267 -0.108 17842 541 1 . 1 1 124 124 ALA N N 125 118.711 118.711 121.669 -2.958 17842 542 1 . 1 1 124 124 ALA C C 125 174.962 174.962 174.568 0.394 17842 543 1 . 1 1 124 124 ALA CA C 125 50.796 50.796 52.346 -1.550 17842 544 1 . 1 1 124 124 ALA CB C 125 22.006 22.006 21.430 0.576 17842 545 1 . 1 1 124 124 ALA H H 125 8.638 8.638 8.356 0.282 17842 546 1 . 1 1 125 125 GLY N N 126 103.783 103.783 107.142 -3.359 17842 547 1 . 1 1 125 125 GLY C C 126 170.390 170.390 171.412 -1.022 17842 548 1 . 1 1 125 125 GLY CA C 126 46.410 46.410 45.167 1.243 17842 549 1 . 1 1 125 125 GLY H H 126 7.103 7.103 7.133 -0.030 17842 550 1 . 1 1 126 126 ILE N N 127 118.306 118.306 115.241 3.065 17842 551 1 . 1 1 126 126 ILE C C 127 172.353 172.353 174.051 -1.698 17842 552 1 . 1 1 126 126 ILE CA C 127 58.593 58.593 60.558 -1.965 17842 553 1 . 1 1 126 126 ILE CB C 127 42.164 42.164 41.128 1.036 17842 554 1 . 1 1 126 126 ILE H H 127 8.564 8.564 8.184 0.380 17842 555 1 . 1 1 127 127 LEU N N 128 129.339 129.339 128.100 1.239 17842 556 1 . 1 1 127 127 LEU C C 128 173.613 173.613 176.048 -2.435 17842 557 1 . 1 1 127 127 LEU CA C 128 53.528 53.528 54.035 -0.506 17842 558 1 . 1 1 127 127 LEU CB C 128 46.804 46.804 43.334 3.470 17842 559 1 . 1 1 127 127 LEU H H 128 9.236 9.236 8.308 0.928 17842 560 1 . 1 1 128 128 GLN N N 129 126.801 126.801 125.743 1.058 17842 561 1 . 1 1 128 128 GLN C C 129 175.093 175.093 174.918 0.175 17842 562 1 . 1 1 128 128 GLN CA C 129 53.194 53.194 54.539 -1.345 17842 563 1 . 1 1 128 128 GLN CB C 129 30.947 30.947 30.971 -0.024 17842 564 1 . 1 1 128 128 GLN H H 129 9.352 9.352 9.022 0.330 17842 565 1 . 1 1 129 129 GLU N N 130 126.822 126.822 123.858 2.964 17842 566 1 . 1 1 129 129 GLU C C 130 176.651 176.651 175.600 1.051 17842 567 1 . 1 1 129 129 GLU CA C 130 56.181 56.181 55.824 0.357 17842 568 1 . 1 1 129 129 GLU CB C 130 27.761 27.761 31.389 -3.628 17842 569 1 . 1 1 129 129 GLU H H 130 8.518 8.518 8.654 -0.136 17842 570 1 . 1 1 130 130 LEU N N 131 126.031 126.031 124.872 1.159 17842 571 1 . 1 1 130 130 LEU C C 131 176.044 176.044 176.927 -0.883 17842 572 1 . 1 1 130 130 LEU CA C 131 55.175 55.175 55.736 -0.561 17842 573 1 . 1 1 130 130 LEU CB C 131 43.855 43.855 43.829 0.026 17842 574 1 . 1 1 130 130 LEU H H 131 8.708 8.708 8.532 0.176 17842 575 1 . 1 1 131 131 SER N N 132 113.049 113.049 112.227 0.822 17842 576 1 . 1 1 131 131 SER C C 132 174.092 174.092 173.356 0.736 17842 577 1 . 1 1 131 131 SER CA C 132 55.993 55.993 57.775 -1.782 17842 578 1 . 1 1 131 131 SER CB C 132 64.945 64.945 64.159 0.786 17842 579 1 . 1 1 131 131 SER H H 132 8.282 8.282 7.749 0.533 17842 580 1 . 1 1 132 132 LYS C C 133 176.346 176.346 175.453 0.893 17842 581 1 . 1 1 132 132 LYS CA C 133 58.497 58.497 56.637 1.860 17842 582 1 . 1 1 132 132 LYS CB C 133 31.009 31.009 31.000 0.009 17842 583 1 . 1 1 133 133 ASN N N 134 110.795 110.795 116.023 -5.228 17842 584 1 . 1 1 133 133 ASN C C 134 173.897 173.897 173.381 0.516 17842 585 1 . 1 1 133 133 ASN CA C 134 53.578 53.578 53.614 -0.036 17842 586 1 . 1 1 133 133 ASN CB C 134 40.830 40.830 40.534 0.296 17842 587 1 . 1 1 133 133 ASN H H 134 7.761 7.761 8.174 -0.413 17842 588 1 . 1 1 134 134 ALA N N 135 122.181 122.181 120.913 1.268 17842 589 1 . 1 1 134 134 ALA C C 135 176.250 176.250 175.232 1.018 17842 590 1 . 1 1 134 134 ALA CA C 135 51.157 51.157 51.309 -0.152 17842 591 1 . 1 1 134 134 ALA CB C 135 22.133 22.133 21.324 0.809 17842 592 1 . 1 1 134 134 ALA H H 135 7.562 7.562 7.801 -0.239 17842 593 1 . 1 1 135 135 SER N N 136 114.617 114.617 114.331 0.286 17842 594 1 . 1 1 135 135 SER C C 136 172.507 172.507 172.973 -0.466 17842 595 1 . 1 1 135 135 SER CA C 136 56.164 56.164 56.914 -0.750 17842 596 1 . 1 1 135 135 SER CB C 136 66.255 66.255 66.390 -0.135 17842 597 1 . 1 1 135 135 SER H H 136 8.717 8.717 8.182 0.535 17842 598 1 . 1 1 136 136 ILE N N 137 114.495 114.495 119.319 -4.824 17842 599 1 . 1 1 136 136 ILE C C 137 173.136 173.136 173.666 -0.530 17842 600 1 . 1 1 136 136 ILE CA C 137 58.420 58.420 60.042 -1.622 17842 601 1 . 1 1 136 136 ILE CB C 137 42.700 42.700 41.933 0.767 17842 602 1 . 1 1 136 136 ILE H H 137 8.592 8.592 8.914 -0.322 17842 603 1 . 1 1 137 137 GLU N N 138 122.016 122.016 124.995 -2.979 17842 604 1 . 1 1 137 137 GLU C C 138 173.792 173.792 175.377 -1.585 17842 605 1 . 1 1 137 137 GLU CA C 138 53.537 53.537 54.031 -0.494 17842 606 1 . 1 1 137 137 GLU CB C 138 35.118 35.118 33.320 1.798 17842 607 1 . 1 1 137 137 GLU H H 138 8.902 8.902 8.595 0.307 17842 608 1 . 1 1 138 138 GLY N N 139 107.847 107.847 108.883 -1.036 17842 609 1 . 1 1 138 138 GLY C C 139 171.817 171.817 172.644 -0.827 17842 610 1 . 1 1 138 138 GLY CA C 139 44.070 44.070 45.139 -1.069 17842 611 1 . 1 1 138 138 GLY H H 139 8.485 8.485 8.121 0.364 17842 612 1 . 1 1 139 139 GLY N N 140 108.290 108.290 109.853 -1.563 17842 613 1 . 1 1 139 139 GLY C C 140 169.172 169.172 171.832 -2.660 17842 614 1 . 1 1 139 139 GLY CA C 140 45.714 45.714 45.764 -0.050 17842 615 1 . 1 1 139 139 GLY H H 140 7.841 7.841 8.529 -0.688 17842 616 1 . 1 1 140 140 TYR N N 141 119.674 119.674 118.356 1.318 17842 617 1 . 1 1 140 140 TYR C C 141 173.643 173.643 173.916 -0.273 17842 618 1 . 1 1 140 140 TYR CA C 141 55.179 55.179 56.362 -1.183 17842 619 1 . 1 1 140 140 TYR CB C 141 43.144 43.144 43.211 -0.067 17842 620 1 . 1 1 140 140 TYR H H 141 8.726 8.726 8.659 0.067 17842 621 1 . 1 1 141 141 ARG N N 142 125.021 125.021 119.658 5.363 17842 622 1 . 1 1 141 141 ARG C C 142 173.533 173.533 173.696 -0.163 17842 623 1 . 1 1 141 141 ARG CA C 142 53.813 53.813 55.010 -1.197 17842 624 1 . 1 1 141 141 ARG CB C 142 33.239 33.239 34.113 -0.874 17842 625 1 . 1 1 141 141 ARG H H 142 8.502 8.502 8.390 0.112 17842 626 1 . 1 1 142 142 TYR N N 143 128.805 128.805 122.761 6.044 17842 627 1 . 1 1 142 142 TYR C C 143 173.475 173.475 174.725 -1.250 17842 628 1 . 1 1 142 142 TYR CA C 143 56.428 56.428 56.558 -0.130 17842 629 1 . 1 1 142 142 TYR CB C 143 41.642 41.642 40.923 0.719 17842 630 1 . 1 1 142 142 TYR H H 143 8.978 8.978 9.103 -0.125 17842 631 1 . 1 1 143 143 LEU N N 144 125.513 125.513 121.410 4.103 17842 632 1 . 1 1 143 143 LEU C C 144 175.370 175.370 175.044 0.326 17842 633 1 . 1 1 143 143 LEU CA C 144 52.893 52.893 54.254 -1.361 17842 634 1 . 1 1 143 143 LEU CB C 144 45.924 45.924 45.925 -0.001 17842 635 1 . 1 1 143 143 LEU H H 144 8.117 8.117 8.617 -0.500 17842 636 1 . 1 1 144 144 ARG N N 145 122.193 122.193 120.588 1.605 17842 637 1 . 1 1 144 144 ARG C C 145 175.452 175.452 174.891 0.561 17842 638 1 . 1 1 144 144 ARG CA C 145 54.077 54.077 55.014 -0.936 17842 639 1 . 1 1 144 144 ARG CB C 145 31.377 31.377 33.721 -2.344 17842 640 1 . 1 1 144 144 ARG H H 145 8.810 8.810 8.487 0.323 17842 641 1 . 1 1 145 145 THR C C 146 172.708 172.708 173.892 -1.184 17842 642 1 . 1 1 145 145 THR CA C 146 59.117 59.117 60.804 -1.687 17842 643 1 . 1 1 145 145 THR CB C 146 70.345 70.345 70.031 0.314 17842 644 1 . 1 1 146 146 ASN N N 147 120.236 120.236 123.428 -3.192 17842 645 1 . 1 1 146 146 ASN C C 147 175.341 175.341 174.420 0.921 17842 646 1 . 1 1 146 146 ASN CA C 147 51.880 51.880 53.252 -1.372 17842 647 1 . 1 1 146 146 ASN CB C 147 38.462 38.462 40.827 -2.365 17842 648 1 . 1 1 146 146 ASN H H 147 8.259 8.259 8.646 -0.388 17842 649 1 . 1 1 147 147 ALA N N 148 124.724 124.724 126.369 -1.645 17842 650 1 . 1 1 147 147 ALA C C 148 176.378 176.378 177.121 -0.743 17842 651 1 . 1 1 147 147 ALA CA C 148 52.179 52.179 52.489 -0.310 17842 652 1 . 1 1 147 147 ALA CB C 148 18.626 18.626 19.516 -0.890 17842 653 1 . 1 1 147 147 ALA H H 148 8.256 8.256 8.501 -0.245 17842 654 1 . 1 1 148 148 SER N N 149 115.670 115.670 114.516 1.154 17842 655 1 . 1 1 148 148 SER C C 149 174.123 174.123 173.889 0.234 17842 656 1 . 1 1 148 148 SER CA C 149 57.281 57.281 58.331 -1.050 17842 657 1 . 1 1 148 148 SER CB C 149 64.685 64.685 63.714 0.971 17842 658 1 . 1 1 148 148 SER H H 149 8.372 8.372 8.236 0.136 17842 659 1 . 1 1 149 149 THR N N 150 115.292 115.292 114.762 0.530 17842 660 1 . 1 1 149 149 THR C C 150 173.858 173.858 174.123 -0.265 17842 661 1 . 1 1 149 149 THR CA C 150 61.189 61.189 62.304 -1.115 17842 662 1 . 1 1 149 149 THR CB C 150 69.105 69.105 69.545 -0.440 17842 663 1 . 1 1 149 149 THR H H 150 8.228 8.228 8.149 0.079 17842 664 1 . 1 1 150 150 GLU N N 151 123.244 123.244 122.424 0.820 17842 665 1 . 1 1 150 150 GLU C C 151 176.121 176.121 176.006 0.115 17842 666 1 . 1 1 150 150 GLU CA C 151 56.002 56.002 56.435 -0.434 17842 667 1 . 1 1 150 150 GLU CB C 151 29.931 29.931 30.064 -0.133 17842 668 1 . 1 1 150 150 GLU H H 151 8.186 8.186 8.444 -0.258 17842 669 1 . 1 1 151 151 MET N N 152 121.600 121.600 121.034 0.566 17842 670 1 . 1 1 151 151 MET C C 152 175.810 175.810 175.954 -0.144 17842 671 1 . 1 1 151 151 MET CA C 152 55.254 55.254 56.325 -1.071 17842 672 1 . 1 1 151 151 MET CB C 152 33.247 33.247 33.069 0.178 17842 673 1 . 1 1 151 151 MET H H 152 8.248 8.248 8.273 -0.025 17842 674 1 . 1 1 152 152 THR N N 153 117.486 117.486 115.062 2.424 17842 675 1 . 1 1 152 152 THR C C 153 172.907 172.907 173.073 -0.166 17842 676 1 . 1 1 152 152 THR CA C 153 59.365 59.365 59.297 0.068 17842 677 1 . 1 1 152 152 THR CB C 153 69.366 69.366 69.305 0.061 17842 678 1 . 1 1 152 152 THR H H 153 8.113 8.113 7.948 0.165 17842 679 1 . 1 1 155 155 GLY C C 156 174.620 174.620 173.904 0.716 17842 680 1 . 1 1 155 155 GLY CA C 156 45.280 45.280 44.936 0.344 17842 681 1 . 1 1 156 156 GLY N N 157 109.059 109.059 109.245 -0.186 17842 682 1 . 1 1 156 156 GLY C C 157 173.801 173.801 173.666 0.135 17842 683 1 . 1 1 156 156 GLY CA C 157 44.929 44.929 45.182 -0.253 17842 684 1 . 1 1 156 156 GLY H H 157 8.175 8.175 8.268 -0.093 17842 685 1 . 1 1 157 157 ASN N N 158 118.630 118.630 118.983 -0.353 17842 686 1 . 1 1 157 157 ASN C C 158 175.025 175.025 174.927 0.098 17842 687 1 . 1 1 157 157 ASN CA C 158 52.791 52.791 53.136 -0.345 17842 688 1 . 1 1 157 157 ASN CB C 158 38.532 38.532 39.571 -1.039 17842 689 1 . 1 1 157 157 ASN H H 158 8.114 8.114 8.320 -0.206 17842 690 1 . 1 1 158 158 LYS N N 159 121.755 121.755 121.648 0.107 17842 691 1 . 1 1 158 158 LYS C C 159 176.361 176.361 175.985 0.376 17842 692 1 . 1 1 158 158 LYS CA C 159 56.472 56.472 56.301 0.171 17842 693 1 . 1 1 158 158 LYS CB C 159 32.403 32.403 33.212 -0.809 17842 694 1 . 1 1 158 158 LYS H H 159 8.169 8.169 8.254 -0.085 17842 695 1 . 1 1 159 159 LEU N N 160 123.084 123.084 120.856 2.228 17842 696 1 . 1 1 159 159 LEU C C 160 177.408 177.408 177.049 0.359 17842 697 1 . 1 1 159 159 LEU CA C 160 55.162 55.162 55.185 -0.023 17842 698 1 . 1 1 159 159 LEU CB C 160 42.690 42.690 42.460 0.230 17842 699 1 . 1 1 159 159 LEU H H 160 8.173 8.173 8.249 -0.076 17842 700 1 . 1 1 160 160 GLY N N 161 109.180 109.180 109.590 -0.410 17842 701 1 . 1 1 160 160 GLY C C 161 173.574 173.574 173.563 0.011 17842 702 1 . 1 1 160 160 GLY CA C 161 44.877 44.877 44.817 0.060 17842 703 1 . 1 1 160 160 GLY H H 161 8.117 8.117 8.288 -0.171 17842 704 1 . 1 1 161 161 SER N N 162 115.719 115.719 115.528 0.191 17842 705 1 . 1 1 161 161 SER C C 162 173.715 173.715 174.056 -0.341 17842 706 1 . 1 1 161 161 SER CA C 162 57.965 57.965 57.970 -0.006 17842 707 1 . 1 1 161 161 SER CB C 162 63.856 63.856 64.546 -0.690 17842 708 1 . 1 1 161 161 SER H H 162 8.064 8.064 8.088 -0.024 17842 709 1 . 1 1 162 162 LEU N N 163 123.433 123.433 123.347 0.086 17842 710 1 . 1 1 162 162 LEU C C 163 175.609 175.609 176.164 -0.555 17842 711 1 . 1 1 162 162 LEU CA C 163 54.385 54.385 55.323 -0.938 17842 712 1 . 1 1 162 162 LEU CB C 163 43.046 43.046 42.583 0.463 17842 713 1 . 1 1 162 162 LEU H H 163 8.282 8.282 8.415 -0.133 17842 714 1 . 1 1 163 163 ASP N N 164 122.223 122.223 121.429 0.794 17842 715 1 . 1 1 163 163 ASP C C 164 175.122 175.122 175.568 -0.446 17842 716 1 . 1 1 163 163 ASP CA C 164 53.400 53.400 54.438 -1.038 17842 717 1 . 1 1 163 163 ASP CB C 164 41.200 41.200 41.584 -0.384 17842 718 1 . 1 1 163 163 ASP H H 164 8.356 8.356 8.274 0.082 17842 719 1 . 1 1 166 166 SER C C 167 172.472 172.472 173.634 -1.162 17842 720 1 . 1 1 166 166 SER CA C 167 56.760 56.760 57.773 -1.013 17842 721 1 . 1 1 167 167 SER N N 168 115.939 115.939 117.210 -1.271 17842 722 1 . 1 1 167 167 SER C C 168 173.318 173.318 172.951 0.367 17842 723 1 . 1 1 167 167 SER CA C 168 56.763 56.763 57.644 -0.881 17842 724 1 . 1 1 167 167 SER CB C 168 65.286 65.286 64.914 0.372 17842 725 1 . 1 1 167 167 SER H H 168 8.678 8.678 8.586 0.092 17842 726 1 . 1 1 168 168 SER C C 169 172.500 172.500 173.602 -1.102 17842 727 1 . 1 1 168 168 SER CA C 169 56.569 56.569 57.675 -1.106 17842 728 1 . 1 1 168 168 SER CB C 169 65.738 65.738 64.161 1.577 17842 729 1 . 1 1 169 169 GLN N N 170 122.951 122.951 123.112 -0.161 17842 730 1 . 1 1 169 169 GLN C C 170 174.697 174.697 174.321 0.376 17842 731 1 . 1 1 169 169 GLN CA C 170 54.038 54.038 54.772 -0.734 17842 732 1 . 1 1 169 169 GLN CB C 170 32.383 32.383 32.991 -0.608 17842 733 1 . 1 1 169 169 GLN H H 170 8.745 8.745 8.083 0.662 17842 734 1 . 1 1 170 170 PHE N N 171 125.628 125.628 120.649 4.979 17842 735 1 . 1 1 170 170 PHE C C 171 174.628 174.628 174.766 -0.138 17842 736 1 . 1 1 170 170 PHE CA C 171 56.200 56.200 56.824 -0.624 17842 737 1 . 1 1 170 170 PHE CB C 171 41.552 41.552 42.250 -0.698 17842 738 1 . 1 1 170 170 PHE H H 171 7.771 7.771 8.558 -0.787 17842 739 1 . 1 1 171 171 TYR N N 172 121.558 121.558 121.430 0.128 17842 740 1 . 1 1 171 171 TYR C C 172 171.727 171.727 173.938 -2.210 17842 741 1 . 1 1 171 171 TYR CA C 172 56.046 56.046 56.881 -0.835 17842 742 1 . 1 1 171 171 TYR CB C 172 42.439 42.439 42.006 0.433 17842 743 1 . 1 1 171 171 TYR H H 172 8.696 8.696 8.922 -0.226 17842 744 1 . 1 1 172 172 LEU N N 173 119.230 119.230 124.873 -5.643 17842 745 1 . 1 1 172 172 LEU C C 173 176.352 176.352 174.870 1.482 17842 746 1 . 1 1 172 172 LEU CA C 173 52.743 52.743 54.793 -2.050 17842 747 1 . 1 1 172 172 LEU CB C 173 46.537 46.537 46.262 0.275 17842 748 1 . 1 1 172 172 LEU H H 173 8.971 8.971 8.324 0.647 17842 749 1 . 1 1 173 173 GLY N N 174 107.248 107.248 109.951 -2.703 17842 750 1 . 1 1 173 173 GLY C C 174 170.680 170.680 172.018 -1.338 17842 751 1 . 1 1 173 173 GLY CA C 174 44.920 44.920 45.971 -1.051 17842 752 1 . 1 1 173 173 GLY H H 174 9.085 9.085 8.976 0.109 17842 753 1 . 1 1 174 174 ALA N N 175 121.461 121.461 121.211 0.250 17842 754 1 . 1 1 174 174 ALA C C 175 174.546 174.546 175.361 -0.815 17842 755 1 . 1 1 174 174 ALA CA C 175 50.312 50.312 50.074 0.238 17842 756 1 . 1 1 174 174 ALA CB C 175 21.643 21.643 22.350 -0.707 17842 757 1 . 1 1 174 174 ALA H H 175 8.575 8.575 8.006 0.569 17842 758 1 . 1 1 175 175 ASN N N 176 117.370 117.370 116.666 0.704 17842 759 1 . 1 1 175 175 ASN C C 176 173.370 173.370 173.031 0.339 17842 760 1 . 1 1 175 175 ASN CA C 176 51.599 51.599 53.669 -2.069 17842 761 1 . 1 1 175 175 ASN CB C 176 41.957 41.957 42.367 -0.410 17842 762 1 . 1 1 175 175 ASN H H 176 8.762 8.762 8.360 0.402 17842 763 1 . 1 1 176 176 TYR N N 177 122.724 122.724 125.278 -2.554 17842 764 1 . 1 1 176 176 TYR C C 177 173.924 173.924 174.982 -1.058 17842 765 1 . 1 1 176 176 TYR CA C 177 56.438 56.438 56.735 -0.297 17842 766 1 . 1 1 176 176 TYR CB C 177 42.401 42.401 40.512 1.889 17842 767 1 . 1 1 176 176 TYR H H 177 9.570 9.570 9.178 0.392 17842 768 1 . 1 1 177 177 LYS N N 178 127.067 127.067 125.161 1.906 17842 769 1 . 1 1 177 177 LYS C C 178 174.336 174.336 175.039 -0.703 17842 770 1 . 1 1 177 177 LYS CA C 178 54.243 54.243 55.480 -1.237 17842 771 1 . 1 1 177 177 LYS CB C 178 33.951 33.951 33.357 0.594 17842 772 1 . 1 1 177 177 LYS H H 178 8.284 8.284 8.101 0.183 17842 stop_ save_