data_17645 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17645 _Entry.PDB_ID 2LD3 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 17645 _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 GLY N N 17 110.356 110.356 109.053 1.303 17645 2 1 1 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.479 1.131 17645 3 1 1 . 1 1 2 2 GLY H H 17 8.065 8.065 8.294 -0.229 17645 4 1 1 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.261 0.132 17645 5 1 1 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.543 1.127 17645 6 1 1 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.283 0.417 17645 7 1 1 . 1 1 4 4 GLY CA C 19 46.730 46.730 46.151 0.579 17645 8 1 1 . 1 1 5 5 SER HA H 20 4.192 4.192 4.512 -0.320 17645 9 1 1 . 1 1 5 5 SER CA C 20 60.960 60.960 60.521 0.439 17645 10 1 1 . 1 1 5 5 SER CB C 20 64.250 64.250 63.377 0.873 17645 11 1 1 . 1 1 6 6 LEU N N 21 122.731 122.731 121.903 0.828 17645 12 1 1 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.992 0.128 17645 13 1 1 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.973 -0.253 17645 14 1 1 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.724 1.246 17645 15 1 1 . 1 1 6 6 LEU H H 21 8.052 8.052 7.320 0.732 17645 16 1 1 . 1 1 7 7 VAL N N 22 119.948 119.948 118.132 1.816 17645 17 1 1 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.601 0.152 17645 18 1 1 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.280 -0.930 17645 19 1 1 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.484 1.116 17645 20 1 1 . 1 1 7 7 VAL H H 22 7.676 7.676 7.967 -0.291 17645 21 1 1 . 1 1 8 8 LYS N N 23 122.400 122.400 118.621 3.779 17645 22 1 1 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.054 0.133 17645 23 1 1 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.505 -0.675 17645 24 1 1 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.038 0.522 17645 25 1 1 . 1 1 8 8 LYS H H 23 7.830 7.830 7.597 0.233 17645 26 1 1 . 1 1 9 9 VAL N N 24 121.205 121.205 119.141 2.064 17645 27 1 1 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.788 0.038 17645 28 1 1 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.412 0.448 17645 29 1 1 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.913 1.538 17645 30 1 1 . 1 1 9 9 VAL H H 24 8.194 8.194 7.437 0.757 17645 31 1 1 . 1 1 10 10 GLY N N 25 107.900 107.900 106.824 1.076 17645 32 1 1 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.422 0.238 17645 33 1 1 . 1 1 10 10 GLY H H 25 8.446 8.446 8.422 0.024 17645 34 1 1 . 1 1 11 11 THR N N 26 116.800 116.800 119.763 -2.963 17645 35 1 1 . 1 1 11 11 THR HA H 26 4.109 4.109 3.837 0.272 17645 36 1 1 . 1 1 11 11 THR CA C 26 66.300 66.300 66.453 -0.153 17645 37 1 1 . 1 1 11 11 THR CB C 26 69.690 69.690 68.635 1.055 17645 38 1 1 . 1 1 11 11 THR H H 26 7.992 7.992 7.795 0.197 17645 39 1 1 . 1 1 12 12 LEU N N 27 123.983 123.983 122.657 1.326 17645 40 1 1 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.990 0.137 17645 41 1 1 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.207 0.263 17645 42 1 1 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.928 0.882 17645 43 1 1 . 1 1 12 12 LEU H H 27 7.934 7.934 8.017 -0.083 17645 44 1 1 . 1 1 13 13 LYS N N 28 117.513 117.513 119.429 -1.916 17645 45 1 1 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.838 0.065 17645 46 1 1 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.708 0.442 17645 47 1 1 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.070 0.660 17645 48 1 1 . 1 1 13 13 LYS H H 28 7.824 7.824 7.723 0.101 17645 49 1 1 . 1 1 14 14 LYS N N 29 119.275 119.275 118.641 0.634 17645 50 1 1 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.008 0.143 17645 51 1 1 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.486 -0.026 17645 52 1 1 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.115 0.635 17645 53 1 1 . 1 1 14 14 LYS H H 29 7.685 7.685 7.661 0.024 17645 54 1 1 . 1 1 15 15 ARG N N 30 119.090 119.090 119.684 -0.594 17645 55 1 1 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.726 0.334 17645 56 1 1 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.414 0.616 17645 57 1 1 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.698 0.812 17645 58 1 1 . 1 1 15 15 ARG H H 30 7.709 7.709 7.565 0.144 17645 59 1 1 . 1 1 16 16 LEU N N 31 118.473 118.473 121.723 -3.250 17645 60 1 1 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.957 0.020 17645 61 1 1 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.066 0.014 17645 62 1 1 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.824 -0.504 17645 63 1 1 . 1 1 16 16 LEU H H 31 7.595 7.595 8.260 -0.665 17645 64 1 1 . 1 1 17 17 ASP N N 32 120.020 120.020 118.880 1.140 17645 65 1 1 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.230 0.209 17645 66 1 1 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.888 0.092 17645 67 1 1 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.521 0.359 17645 68 1 1 . 1 1 17 17 ASP H H 32 7.858 7.858 7.751 0.107 17645 69 1 1 . 1 1 18 18 LYS N N 33 119.708 119.708 120.444 -0.736 17645 70 1 1 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.979 0.219 17645 71 1 1 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.557 -0.087 17645 72 1 1 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.506 0.684 17645 73 1 1 . 1 1 18 18 LYS H H 33 7.564 7.564 7.446 0.118 17645 74 1 1 . 1 1 19 19 PHE N N 34 118.256 118.256 117.490 0.766 17645 75 1 1 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.215 0.036 17645 76 1 1 . 1 1 19 19 PHE CA C 34 60.710 60.710 59.872 0.838 17645 77 1 1 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.686 1.064 17645 78 1 1 . 1 1 19 19 PHE H H 34 7.884 7.884 7.321 0.563 17645 79 1 1 . 1 1 20 20 ASN N N 35 117.779 117.779 118.300 -0.521 17645 80 1 1 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.372 0.088 17645 81 1 1 . 1 1 20 20 ASN CA C 35 57.350 57.350 57.119 0.231 17645 82 1 1 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.425 0.575 17645 83 1 1 . 1 1 20 20 ASN H H 35 8.054 8.054 8.058 -0.004 17645 84 1 1 . 1 1 21 21 GLU N N 36 120.312 120.312 120.895 -0.583 17645 85 1 1 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.029 0.077 17645 86 1 1 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.775 -0.005 17645 87 1 1 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.620 0.889 17645 88 1 1 . 1 1 21 21 GLU H H 36 7.983 7.983 7.804 0.179 17645 89 1 1 . 1 1 22 22 VAL N N 37 119.756 119.756 118.613 1.143 17645 90 1 1 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.789 0.053 17645 91 1 1 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.133 -0.023 17645 92 1 1 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.828 0.852 17645 93 1 1 . 1 1 22 22 VAL H H 37 7.670 7.670 7.809 -0.139 17645 94 1 1 . 1 1 23 23 VAL N N 38 118.300 118.300 117.634 0.666 17645 95 1 1 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.757 -0.080 17645 96 1 1 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.678 0.872 17645 97 1 1 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.909 0.571 17645 98 1 1 . 1 1 23 23 VAL H H 38 8.159 8.159 8.126 0.033 17645 99 1 1 . 1 1 24 24 SER N N 39 113.952 113.952 116.622 -2.670 17645 100 1 1 . 1 1 24 24 SER HA H 39 4.170 4.170 4.181 -0.011 17645 101 1 1 . 1 1 24 24 SER CA C 39 61.880 61.880 61.711 0.169 17645 102 1 1 . 1 1 24 24 SER CB C 39 63.740 63.740 63.174 0.566 17645 103 1 1 . 1 1 24 24 SER H H 39 7.773 7.773 8.490 -0.717 17645 104 1 1 . 1 1 25 25 ALA N N 40 122.572 122.572 121.613 0.959 17645 105 1 1 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.344 0.081 17645 106 1 1 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.144 -0.264 17645 107 1 1 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.082 1.368 17645 108 1 1 . 1 1 25 25 ALA H H 40 7.436 7.436 7.684 -0.248 17645 109 1 1 . 1 1 26 26 LEU N N 41 120.677 120.677 118.190 2.487 17645 110 1 1 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.159 0.222 17645 111 1 1 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.098 -0.238 17645 112 1 1 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.872 0.318 17645 113 1 1 . 1 1 26 26 LEU H H 41 7.499 7.499 7.553 -0.054 17645 114 1 1 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.903 0.382 17645 115 1 1 . 1 1 27 27 LYS CA C 42 58.250 58.250 58.059 0.191 17645 116 1 1 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.903 2.967 17645 117 1 1 . 1 1 28 28 ASP N N 43 120.989 120.989 116.143 4.846 17645 118 1 1 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.876 -0.075 17645 119 1 1 . 1 1 28 28 ASP CA C 43 54.560 54.560 52.343 2.217 17645 120 1 1 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.688 1.752 17645 121 1 1 . 1 1 28 28 ASP H H 43 8.513 8.513 7.546 0.967 17645 122 1 1 . 1 1 29 29 GLY N N 44 108.379 108.379 111.526 -3.147 17645 123 1 1 . 1 1 29 29 GLY CA C 44 46.540 46.540 46.047 0.492 17645 124 1 1 . 1 1 29 29 GLY H H 44 8.425 8.425 8.550 -0.125 17645 125 1 1 . 1 1 30 30 LYS N N 45 119.932 119.932 119.570 0.362 17645 126 1 1 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.248 -0.169 17645 127 1 1 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.878 0.642 17645 128 1 1 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.440 0.630 17645 129 1 1 . 1 1 30 30 LYS H H 45 8.269 8.269 8.506 -0.237 17645 130 1 1 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.326 -0.018 17645 131 1 1 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.876 1.164 17645 132 1 1 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.325 0.496 17645 133 1 1 . 1 1 32 32 GLU N N 47 118.526 118.526 116.496 2.030 17645 134 1 1 . 1 1 32 32 GLU HA H 47 4.133 4.133 3.997 0.136 17645 135 1 1 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.184 0.986 17645 136 1 1 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.480 1.431 17645 137 1 1 . 1 1 32 32 GLU H H 47 8.189 8.189 8.407 -0.218 17645 138 1 1 . 1 1 33 33 VAL N N 48 120.183 120.183 121.201 -1.018 17645 139 1 1 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.678 0.234 17645 140 1 1 . 1 1 33 33 VAL CA C 48 66.300 66.300 65.518 0.782 17645 141 1 1 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.211 1.149 17645 142 1 1 . 1 1 33 33 VAL H H 48 7.744 7.744 7.480 0.264 17645 143 1 1 . 1 1 34 34 ASN N N 49 119.700 119.700 118.005 1.695 17645 144 1 1 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.377 0.073 17645 145 1 1 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.017 1.032 17645 146 1 1 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.686 0.964 17645 147 1 1 . 1 1 34 34 ASN H H 49 8.582 8.582 8.722 -0.140 17645 148 1 1 . 1 1 35 35 ARG N N 50 121.009 121.009 120.725 0.284 17645 149 1 1 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.076 0.061 17645 150 1 1 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.578 0.192 17645 151 1 1 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.197 0.573 17645 152 1 1 . 1 1 35 35 ARG H H 50 7.848 7.848 7.927 -0.079 17645 153 1 1 . 1 1 36 36 GLN N N 51 119.394 119.394 119.062 0.332 17645 154 1 1 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.067 -0.004 17645 155 1 1 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.052 0.958 17645 156 1 1 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.064 0.707 17645 157 1 1 . 1 1 36 36 GLN H H 51 7.685 7.685 7.695 -0.010 17645 158 1 1 . 1 1 37 37 ILE N N 52 122.006 122.006 119.269 2.737 17645 159 1 1 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.704 -0.250 17645 160 1 1 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.560 0.740 17645 161 1 1 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.410 1.490 17645 162 1 1 . 1 1 37 37 ILE H H 52 8.293 8.293 8.809 -0.516 17645 163 1 1 . 1 1 38 38 LYS N N 53 121.163 121.163 120.300 0.863 17645 164 1 1 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.977 0.194 17645 165 1 1 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.283 -1.233 17645 166 1 1 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.267 -0.336 17645 167 1 1 . 1 1 38 38 LYS H H 53 8.169 8.169 7.835 0.334 17645 168 1 1 . 1 1 39 39 ASN N N 54 117.219 117.219 118.150 -0.931 17645 169 1 1 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.463 0.020 17645 170 1 1 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.810 0.800 17645 171 1 1 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.656 0.784 17645 172 1 1 . 1 1 39 39 ASN H H 54 8.171 8.171 7.953 0.218 17645 173 1 1 . 1 1 40 40 LEU N N 55 123.907 123.907 121.377 2.530 17645 174 1 1 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.078 0.127 17645 175 1 1 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.324 0.516 17645 176 1 1 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.666 0.404 17645 177 1 1 . 1 1 40 40 LEU H H 55 7.702 7.702 7.982 -0.280 17645 178 1 1 . 1 1 41 41 GLU N N 56 121.779 121.779 120.468 1.311 17645 179 1 1 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.012 -0.310 17645 180 1 1 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.905 1.545 17645 181 1 1 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.672 0.658 17645 182 1 1 . 1 1 41 41 GLU H H 56 8.442 8.442 7.898 0.544 17645 183 1 1 . 1 1 42 42 ILE N N 57 119.133 119.133 119.116 0.017 17645 184 1 1 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.748 0.135 17645 185 1 1 . 1 1 42 42 ILE CA C 57 65.550 65.550 64.885 0.665 17645 186 1 1 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.818 1.132 17645 187 1 1 . 1 1 42 42 ILE H H 57 8.531 8.531 8.238 0.293 17645 188 1 1 . 1 1 43 43 SER N N 58 118.622 118.622 116.129 2.493 17645 189 1 1 . 1 1 43 43 SER HA H 58 4.322 4.322 4.080 0.242 17645 190 1 1 . 1 1 43 43 SER CA C 58 62.940 62.940 62.135 0.805 17645 191 1 1 . 1 1 43 43 SER CB C 58 63.500 63.500 63.041 0.459 17645 192 1 1 . 1 1 43 43 SER H H 58 8.027 8.027 7.771 0.256 17645 193 1 1 . 1 1 44 44 ILE N N 59 126.416 126.416 121.455 4.961 17645 194 1 1 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.621 0.007 17645 195 1 1 . 1 1 44 44 ILE CA C 59 66.910 66.910 66.180 0.730 17645 196 1 1 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.686 1.474 17645 197 1 1 . 1 1 44 44 ILE H H 59 8.543 8.543 8.406 0.137 17645 198 1 1 . 1 1 45 45 ASP N N 60 121.563 121.563 119.593 1.970 17645 199 1 1 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.228 0.179 17645 200 1 1 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.252 1.028 17645 201 1 1 . 1 1 45 45 ASP CB C 60 40.760 40.760 41.339 -0.579 17645 202 1 1 . 1 1 45 45 ASP H H 60 8.406 8.406 7.885 0.521 17645 203 1 1 . 1 1 46 46 ALA N N 61 123.500 123.500 122.810 0.690 17645 204 1 1 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.051 0.151 17645 205 1 1 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.139 0.570 17645 206 1 1 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.382 0.278 17645 207 1 1 . 1 1 46 46 ALA H H 61 8.538 8.538 8.113 0.425 17645 208 1 1 . 1 1 47 47 LEU N N 62 121.942 121.942 119.675 2.267 17645 209 1 1 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.876 0.418 17645 210 1 1 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.717 -0.057 17645 211 1 1 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.842 -0.702 17645 212 1 1 . 1 1 47 47 LEU H H 62 7.801 7.801 7.743 0.058 17645 213 1 1 . 1 1 48 48 MET N N 63 118.068 118.068 118.617 -0.549 17645 214 1 1 . 1 1 48 48 MET HA H 63 3.945 3.945 3.877 0.068 17645 215 1 1 . 1 1 48 48 MET CA C 63 60.330 60.330 59.305 1.025 17645 216 1 1 . 1 1 48 48 MET CB C 63 33.110 33.110 32.452 0.658 17645 217 1 1 . 1 1 48 48 MET H H 63 8.261 8.261 7.813 0.448 17645 218 1 1 . 1 1 49 49 ALA N N 64 120.428 120.428 118.782 1.646 17645 219 1 1 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.054 0.047 17645 220 1 1 . 1 1 49 49 ALA CA C 64 55.770 55.770 55.027 0.743 17645 221 1 1 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.087 0.683 17645 222 1 1 . 1 1 49 49 ALA H H 64 8.045 8.045 7.977 0.068 17645 223 1 1 . 1 1 50 50 LYS N N 65 121.947 121.947 118.528 3.419 17645 224 1 1 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.258 -0.219 17645 225 1 1 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.718 1.802 17645 226 1 1 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.741 0.939 17645 227 1 1 . 1 1 50 50 LYS H H 65 8.063 8.063 7.878 0.185 17645 228 1 1 . 1 1 51 51 ILE N N 66 121.189 121.189 119.495 1.694 17645 229 1 1 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.934 -0.184 17645 230 1 1 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.720 3.020 17645 231 1 1 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.223 1.897 17645 232 1 1 . 1 1 51 51 ILE H H 66 8.437 8.437 8.347 0.090 17645 233 1 1 . 1 1 52 52 LYS N N 67 117.119 117.119 117.872 -0.753 17645 234 1 1 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.380 -0.244 17645 235 1 1 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.833 1.377 17645 236 1 1 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.318 0.362 17645 237 1 1 . 1 1 52 52 LYS H H 67 7.622 7.622 7.841 -0.219 17645 238 1 1 . 1 1 53 53 SER N N 68 111.824 111.824 114.858 -3.034 17645 239 1 1 . 1 1 53 53 SER HA H 68 4.602 4.602 4.576 0.026 17645 240 1 1 . 1 1 53 53 SER CA C 68 59.960 59.960 58.572 1.388 17645 241 1 1 . 1 1 53 53 SER CB C 68 65.750 65.750 62.806 2.944 17645 242 1 1 . 1 1 53 53 SER H H 68 7.750 7.750 7.835 -0.085 17645 243 1 1 . 1 1 54 54 THR N N 69 115.916 115.916 111.548 4.368 17645 244 1 1 . 1 1 54 54 THR HA H 69 4.596 4.596 4.304 0.292 17645 245 1 1 . 1 1 54 54 THR CA C 69 62.460 62.460 62.008 0.452 17645 246 1 1 . 1 1 54 54 THR CB C 69 71.650 71.650 69.646 2.004 17645 247 1 1 . 1 1 54 54 THR H H 69 7.972 7.972 7.156 0.816 17645 248 1 1 . 1 1 55 55 MET N N 70 121.343 121.343 123.130 -1.787 17645 249 1 1 . 1 1 55 55 MET HA H 70 4.551 4.551 4.401 0.150 17645 250 1 1 . 1 1 55 55 MET CA C 70 56.050 56.050 55.017 1.033 17645 251 1 1 . 1 1 55 55 MET CB C 70 32.500 32.500 31.599 0.901 17645 252 1 1 . 1 1 55 55 MET H H 70 8.306 8.306 8.625 -0.319 17645 253 1 1 . 1 1 56 56 MET N N 71 123.196 123.196 122.040 1.156 17645 254 1 1 . 1 1 56 56 MET HA H 71 4.706 4.706 4.498 0.208 17645 255 1 1 . 1 1 56 56 MET CA C 71 55.860 55.860 54.986 0.874 17645 256 1 1 . 1 1 56 56 MET CB C 71 37.620 37.620 33.149 4.471 17645 257 1 1 . 1 1 56 56 MET H H 71 8.114 8.114 7.792 0.322 17645 258 1 1 . 1 1 57 57 THR N N 72 113.158 113.158 117.814 -4.656 17645 259 1 1 . 1 1 57 57 THR HA H 72 4.483 4.483 4.503 -0.020 17645 260 1 1 . 1 1 57 57 THR CA C 72 61.080 61.080 61.382 -0.302 17645 261 1 1 . 1 1 57 57 THR CB C 72 71.670 71.670 69.686 1.984 17645 262 1 1 . 1 1 57 57 THR H H 72 8.486 8.486 8.300 0.186 17645 263 1 1 . 1 1 58 58 ARG N N 73 121.911 121.911 126.104 -4.193 17645 264 1 1 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.896 0.013 17645 265 1 1 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.492 1.028 17645 266 1 1 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.388 0.942 17645 267 1 1 . 1 1 58 58 ARG H H 73 8.961 8.961 8.908 0.053 17645 268 1 1 . 1 1 59 59 GLU N N 74 118.955 118.955 119.108 -0.153 17645 269 1 1 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.011 0.021 17645 270 1 1 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.754 1.136 17645 271 1 1 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.980 0.980 17645 272 1 1 . 1 1 59 59 GLU H H 74 8.833 8.833 8.823 0.010 17645 273 1 1 . 1 1 60 60 GLN N N 75 121.077 121.077 117.949 3.128 17645 274 1 1 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.114 -0.124 17645 275 1 1 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.530 0.870 17645 276 1 1 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.377 1.013 17645 277 1 1 . 1 1 60 60 GLN H H 75 7.801 7.801 7.635 0.166 17645 278 1 1 . 1 1 61 61 ILE N N 76 120.016 120.016 119.630 0.386 17645 279 1 1 . 1 1 61 61 ILE HA H 76 3.429 3.429 4.194 -0.765 17645 280 1 1 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.481 4.379 17645 281 1 1 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.754 1.956 17645 282 1 1 . 1 1 61 61 ILE H H 76 8.250 8.250 7.566 0.684 17645 283 1 1 . 1 1 62 62 GLN N N 77 119.153 119.153 120.318 -1.165 17645 284 1 1 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.014 -0.247 17645 285 1 1 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.218 0.552 17645 286 1 1 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.339 0.741 17645 287 1 1 . 1 1 62 62 GLN H H 77 8.295 8.295 8.232 0.063 17645 288 1 1 . 1 1 63 63 LYS N N 78 118.200 118.200 119.352 -1.152 17645 289 1 1 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.040 0.114 17645 290 1 1 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.509 0.641 17645 291 1 1 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.414 0.896 17645 292 1 1 . 1 1 63 63 LYS H H 78 7.839 7.839 7.803 0.036 17645 293 1 1 . 1 1 64 64 GLU N N 79 120.133 120.133 119.404 0.729 17645 294 1 1 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.009 0.133 17645 295 1 1 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.416 0.915 17645 296 1 1 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.478 1.132 17645 297 1 1 . 1 1 64 64 GLU H H 79 7.899 7.899 7.944 -0.045 17645 298 1 1 . 1 1 65 65 TYR N N 80 122.505 122.505 119.720 2.785 17645 299 1 1 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.187 -0.245 17645 300 1 1 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.765 0.995 17645 301 1 1 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.559 0.911 17645 302 1 1 . 1 1 65 65 TYR H H 80 9.023 9.023 8.207 0.816 17645 303 1 1 . 1 1 66 66 ASP N N 81 120.497 120.497 119.729 0.768 17645 304 1 1 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.388 -0.171 17645 305 1 1 . 1 1 66 66 ASP CA C 81 58.100 58.100 58.019 0.081 17645 306 1 1 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.472 0.168 17645 307 1 1 . 1 1 66 66 ASP H H 81 9.089 9.089 7.775 1.314 17645 308 1 1 . 1 1 67 67 ALA N N 82 122.397 122.397 122.488 -0.091 17645 309 1 1 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.105 0.082 17645 310 1 1 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.148 0.682 17645 311 1 1 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.390 0.530 17645 312 1 1 . 1 1 67 67 ALA H H 82 7.636 7.636 8.283 -0.647 17645 313 1 1 . 1 1 68 68 LEU N N 83 121.806 121.806 117.985 3.821 17645 314 1 1 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.003 0.142 17645 315 1 1 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.417 0.863 17645 316 1 1 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.758 1.103 17645 317 1 1 . 1 1 68 68 LEU H H 83 7.727 7.727 7.623 0.104 17645 318 1 1 . 1 1 69 69 VAL N N 84 123.560 123.560 119.732 3.828 17645 319 1 1 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.526 -0.221 17645 320 1 1 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.660 1.379 17645 321 1 1 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.197 0.993 17645 322 1 1 . 1 1 69 69 VAL H H 84 8.560 8.560 7.832 0.729 17645 323 1 1 . 1 1 70 70 LYS N N 85 121.398 121.398 120.134 1.264 17645 324 1 1 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.045 0.047 17645 325 1 1 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.400 0.850 17645 326 1 1 . 1 1 70 70 LYS CB C 85 32.760 32.760 31.907 0.853 17645 327 1 1 . 1 1 70 70 LYS H H 85 7.956 7.956 8.475 -0.519 17645 328 1 1 . 1 1 71 71 SER N N 86 114.825 114.825 114.698 0.127 17645 329 1 1 . 1 1 71 71 SER HA H 86 4.298 4.298 4.172 0.126 17645 330 1 1 . 1 1 71 71 SER CA C 86 62.810 62.810 61.249 1.561 17645 331 1 1 . 1 1 71 71 SER CB C 86 63.640 63.640 62.969 0.671 17645 332 1 1 . 1 1 71 71 SER H H 86 8.284 8.284 7.905 0.379 17645 333 1 1 . 1 1 72 72 SER N N 87 118.845 118.845 117.410 1.435 17645 334 1 1 . 1 1 72 72 SER HA H 87 4.269 4.269 3.993 0.276 17645 335 1 1 . 1 1 72 72 SER CA C 87 62.940 62.940 61.984 0.956 17645 336 1 1 . 1 1 72 72 SER CB C 87 63.870 63.870 62.850 1.020 17645 337 1 1 . 1 1 72 72 SER H H 87 8.421 8.421 8.362 0.059 17645 338 1 1 . 1 1 73 73 GLU N N 88 124.809 124.809 121.381 3.428 17645 339 1 1 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.970 0.082 17645 340 1 1 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.437 0.793 17645 341 1 1 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.296 0.934 17645 342 1 1 . 1 1 73 73 GLU H H 88 8.376 8.376 7.947 0.429 17645 343 1 1 . 1 1 74 74 ASP N N 89 122.193 122.193 120.105 2.088 17645 344 1 1 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.386 0.025 17645 345 1 1 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.851 0.059 17645 346 1 1 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.777 -0.197 17645 347 1 1 . 1 1 74 74 ASP H H 89 8.734 8.734 7.718 1.016 17645 348 1 1 . 1 1 75 75 LEU N N 90 123.280 123.280 121.428 1.852 17645 349 1 1 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.845 0.445 17645 350 1 1 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.294 0.266 17645 351 1 1 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.700 0.330 17645 352 1 1 . 1 1 75 75 LEU H H 90 7.986 7.986 7.436 0.550 17645 353 1 1 . 1 1 76 76 LEU N N 91 120.488 120.488 118.901 1.587 17645 354 1 1 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.720 0.118 17645 355 1 1 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.334 0.866 17645 356 1 1 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.001 0.509 17645 357 1 1 . 1 1 76 76 LEU H H 91 8.280 8.280 7.797 0.483 17645 358 1 1 . 1 1 77 77 SER N N 92 113.817 113.817 115.426 -1.609 17645 359 1 1 . 1 1 77 77 SER HA H 92 4.235 4.235 4.292 -0.057 17645 360 1 1 . 1 1 77 77 SER CA C 92 62.200 62.200 61.720 0.480 17645 361 1 1 . 1 1 77 77 SER CB C 92 63.440 63.440 62.670 0.770 17645 362 1 1 . 1 1 77 77 SER H H 92 8.219 8.219 7.915 0.304 17645 363 1 1 . 1 1 78 78 ALA N N 93 124.902 124.902 124.356 0.546 17645 364 1 1 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.101 0.065 17645 365 1 1 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.853 1.007 17645 366 1 1 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.311 0.449 17645 367 1 1 . 1 1 78 78 ALA H H 93 7.949 7.949 8.128 -0.179 17645 368 1 1 . 1 1 79 79 LEU N N 94 120.602 120.602 120.100 0.502 17645 369 1 1 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.916 0.151 17645 370 1 1 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.422 0.048 17645 371 1 1 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.564 1.046 17645 372 1 1 . 1 1 79 79 LEU H H 94 8.587 8.587 8.257 0.330 17645 373 1 1 . 1 1 80 80 GLN N N 95 119.525 119.525 118.632 0.893 17645 374 1 1 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.885 0.163 17645 375 1 1 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.971 -0.381 17645 376 1 1 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.322 0.518 17645 377 1 1 . 1 1 80 80 GLN H H 95 8.561 8.561 8.616 -0.055 17645 378 1 1 . 1 1 81 81 LYS N N 96 121.075 121.075 118.557 2.518 17645 379 1 1 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.969 0.168 17645 380 1 1 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.121 0.929 17645 381 1 1 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.010 0.930 17645 382 1 1 . 1 1 81 81 LYS H H 96 8.003 8.003 7.856 0.147 17645 383 1 1 . 1 1 82 82 LYS N N 97 121.415 121.415 120.915 0.500 17645 384 1 1 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.009 0.116 17645 385 1 1 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.928 0.042 17645 386 1 1 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.542 0.578 17645 387 1 1 . 1 1 82 82 LYS H H 97 7.903 7.903 7.728 0.175 17645 388 1 1 . 1 1 83 83 LYS N N 98 121.081 121.081 118.215 2.866 17645 389 1 1 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.025 -0.043 17645 390 1 1 . 1 1 83 83 LYS CA C 98 60.010 60.010 58.834 1.176 17645 391 1 1 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.129 0.991 17645 392 1 1 . 1 1 83 83 LYS H H 98 8.202 8.202 8.257 -0.055 17645 393 1 1 . 1 1 84 84 GLN N N 99 119.576 119.576 117.218 2.358 17645 394 1 1 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.147 -0.023 17645 395 1 1 . 1 1 84 84 GLN CA C 99 59.810 59.810 57.811 1.999 17645 396 1 1 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.232 0.728 17645 397 1 1 . 1 1 84 84 GLN H H 99 8.125 8.125 7.984 0.141 17645 398 1 1 . 1 1 85 85 GLN N N 100 120.009 120.009 119.128 0.881 17645 399 1 1 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.143 -0.022 17645 400 1 1 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.842 2.748 17645 401 1 1 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.291 -0.271 17645 402 1 1 . 1 1 85 85 GLN H H 100 8.341 8.341 7.600 0.741 17645 403 1 1 . 1 1 86 86 GLU N N 101 121.718 121.718 115.013 6.705 17645 404 1 1 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.979 0.156 17645 405 1 1 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.750 2.680 17645 406 1 1 . 1 1 86 86 GLU CB C 101 30.140 30.140 28.552 1.588 17645 407 1 1 . 1 1 86 86 GLU H H 101 8.275 8.275 7.866 0.409 17645 408 1 1 . 1 1 87 87 GLU N N 102 121.412 121.412 117.379 4.033 17645 409 1 1 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.478 -0.362 17645 410 1 1 . 1 1 87 87 GLU CA C 102 59.960 59.960 55.768 4.192 17645 411 1 1 . 1 1 87 87 GLU CB C 102 30.290 30.290 32.656 -2.366 17645 412 1 1 . 1 1 87 87 GLU H H 102 8.330 8.330 8.102 0.228 17645 413 1 2 . 1 1 2 2 GLY N N 17 110.356 110.356 110.229 0.127 17645 414 1 2 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.304 1.306 17645 415 1 2 . 1 1 2 2 GLY H H 17 8.065 8.065 7.949 0.116 17645 416 1 2 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.370 0.023 17645 417 1 2 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.016 1.654 17645 418 1 2 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.693 0.007 17645 419 1 2 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.365 1.365 17645 420 1 2 . 1 1 5 5 SER HA H 20 4.192 4.192 4.428 -0.236 17645 421 1 2 . 1 1 5 5 SER CA C 20 60.960 60.960 59.767 1.193 17645 422 1 2 . 1 1 5 5 SER CB C 20 64.250 64.250 63.132 1.118 17645 423 1 2 . 1 1 6 6 LEU N N 21 122.731 122.731 121.274 1.457 17645 424 1 2 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.987 0.133 17645 425 1 2 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.071 -0.351 17645 426 1 2 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.642 1.328 17645 427 1 2 . 1 1 6 6 LEU H H 21 8.052 8.052 8.027 0.025 17645 428 1 2 . 1 1 7 7 VAL N N 22 119.948 119.948 118.949 0.999 17645 429 1 2 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.580 0.173 17645 430 1 2 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.857 -1.507 17645 431 1 2 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.818 0.782 17645 432 1 2 . 1 1 7 7 VAL H H 22 7.676 7.676 7.533 0.143 17645 433 1 2 . 1 1 8 8 LYS N N 23 122.400 122.400 119.024 3.376 17645 434 1 2 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.190 -0.003 17645 435 1 2 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.374 -0.544 17645 436 1 2 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.480 0.081 17645 437 1 2 . 1 1 8 8 LYS H H 23 7.830 7.830 7.580 0.250 17645 438 1 2 . 1 1 9 9 VAL N N 24 121.205 121.205 119.390 1.815 17645 439 1 2 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.698 0.128 17645 440 1 2 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.269 0.591 17645 441 1 2 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.757 1.693 17645 442 1 2 . 1 1 9 9 VAL H H 24 8.194 8.194 7.973 0.221 17645 443 1 2 . 1 1 10 10 GLY N N 25 107.900 107.900 106.906 0.994 17645 444 1 2 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.514 0.146 17645 445 1 2 . 1 1 10 10 GLY H H 25 8.446 8.446 8.758 -0.312 17645 446 1 2 . 1 1 11 11 THR N N 26 116.800 116.800 119.301 -2.501 17645 447 1 2 . 1 1 11 11 THR HA H 26 4.109 4.109 3.898 0.211 17645 448 1 2 . 1 1 11 11 THR CA C 26 66.300 66.300 66.505 -0.205 17645 449 1 2 . 1 1 11 11 THR CB C 26 69.690 69.690 68.658 1.032 17645 450 1 2 . 1 1 11 11 THR H H 26 7.992 7.992 7.660 0.332 17645 451 1 2 . 1 1 12 12 LEU N N 27 123.983 123.983 122.831 1.152 17645 452 1 2 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.905 0.223 17645 453 1 2 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.148 0.322 17645 454 1 2 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.686 1.124 17645 455 1 2 . 1 1 12 12 LEU H H 27 7.934 7.934 7.930 0.004 17645 456 1 2 . 1 1 13 13 LYS N N 28 117.513 117.513 118.924 -1.411 17645 457 1 2 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.785 0.118 17645 458 1 2 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.715 0.435 17645 459 1 2 . 1 1 13 13 LYS CB C 28 32.730 32.730 31.910 0.820 17645 460 1 2 . 1 1 13 13 LYS H H 28 7.824 7.824 7.819 0.005 17645 461 1 2 . 1 1 14 14 LYS N N 29 119.275 119.275 118.336 0.939 17645 462 1 2 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.009 0.142 17645 463 1 2 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.165 0.295 17645 464 1 2 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.259 0.491 17645 465 1 2 . 1 1 14 14 LYS H H 29 7.685 7.685 7.695 -0.010 17645 466 1 2 . 1 1 15 15 ARG N N 30 119.090 119.090 119.739 -0.649 17645 467 1 2 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.792 0.268 17645 468 1 2 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.022 1.008 17645 469 1 2 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.312 1.198 17645 470 1 2 . 1 1 15 15 ARG H H 30 7.709 7.709 7.298 0.411 17645 471 1 2 . 1 1 16 16 LEU N N 31 118.473 118.473 120.706 -2.233 17645 472 1 2 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.037 -0.060 17645 473 1 2 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.604 -0.524 17645 474 1 2 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.771 -0.451 17645 475 1 2 . 1 1 16 16 LEU H H 31 7.595 7.595 8.141 -0.546 17645 476 1 2 . 1 1 17 17 ASP N N 32 120.020 120.020 119.001 1.019 17645 477 1 2 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.231 0.208 17645 478 1 2 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.699 0.281 17645 479 1 2 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.703 0.177 17645 480 1 2 . 1 1 17 17 ASP H H 32 7.858 7.858 7.758 0.100 17645 481 1 2 . 1 1 18 18 LYS N N 33 119.708 119.708 120.447 -0.739 17645 482 1 2 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.959 0.239 17645 483 1 2 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.507 -0.037 17645 484 1 2 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.586 0.604 17645 485 1 2 . 1 1 18 18 LYS H H 33 7.564 7.564 7.328 0.236 17645 486 1 2 . 1 1 19 19 PHE N N 34 118.256 118.256 117.559 0.697 17645 487 1 2 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.216 0.035 17645 488 1 2 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.104 0.606 17645 489 1 2 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.661 1.089 17645 490 1 2 . 1 1 19 19 PHE H H 34 7.884 7.884 7.345 0.539 17645 491 1 2 . 1 1 20 20 ASN N N 35 117.779 117.779 117.989 -0.210 17645 492 1 2 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.437 0.023 17645 493 1 2 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.944 0.406 17645 494 1 2 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.080 0.920 17645 495 1 2 . 1 1 20 20 ASN H H 35 8.054 8.054 8.309 -0.255 17645 496 1 2 . 1 1 21 21 GLU N N 36 120.312 120.312 120.649 -0.337 17645 497 1 2 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.054 0.052 17645 498 1 2 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.795 -0.025 17645 499 1 2 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.686 0.824 17645 500 1 2 . 1 1 21 21 GLU H H 36 7.983 7.983 7.842 0.141 17645 501 1 2 . 1 1 22 22 VAL N N 37 119.756 119.756 119.491 0.265 17645 502 1 2 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.768 0.074 17645 503 1 2 . 1 1 22 22 VAL CA C 37 66.110 66.110 65.780 0.330 17645 504 1 2 . 1 1 22 22 VAL CB C 37 32.680 32.680 30.883 1.797 17645 505 1 2 . 1 1 22 22 VAL H H 37 7.670 7.670 7.844 -0.174 17645 506 1 2 . 1 1 23 23 VAL N N 38 118.300 118.300 119.895 -1.595 17645 507 1 2 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.688 -0.011 17645 508 1 2 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.538 0.012 17645 509 1 2 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.875 1.605 17645 510 1 2 . 1 1 23 23 VAL H H 38 8.159 8.159 8.383 -0.224 17645 511 1 2 . 1 1 24 24 SER N N 39 113.952 113.952 116.049 -2.097 17645 512 1 2 . 1 1 24 24 SER HA H 39 4.170 4.170 4.151 0.019 17645 513 1 2 . 1 1 24 24 SER CA C 39 61.880 61.880 61.822 0.058 17645 514 1 2 . 1 1 24 24 SER CB C 39 63.740 63.740 62.930 0.810 17645 515 1 2 . 1 1 24 24 SER H H 39 7.773 7.773 8.550 -0.777 17645 516 1 2 . 1 1 25 25 ALA N N 40 122.572 122.572 122.972 -0.400 17645 517 1 2 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.361 0.064 17645 518 1 2 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.971 -1.091 17645 519 1 2 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.373 2.077 17645 520 1 2 . 1 1 25 25 ALA H H 40 7.436 7.436 7.765 -0.329 17645 521 1 2 . 1 1 26 26 LEU N N 41 120.677 120.677 117.708 2.969 17645 522 1 2 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.082 0.299 17645 523 1 2 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.486 -0.626 17645 524 1 2 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.527 0.663 17645 525 1 2 . 1 1 26 26 LEU H H 41 7.499 7.499 7.165 0.334 17645 526 1 2 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.015 0.270 17645 527 1 2 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.788 0.463 17645 528 1 2 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.093 2.777 17645 529 1 2 . 1 1 28 28 ASP N N 43 120.989 120.989 118.235 2.754 17645 530 1 2 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.767 0.034 17645 531 1 2 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.555 1.005 17645 532 1 2 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.349 0.091 17645 533 1 2 . 1 1 28 28 ASP H H 43 8.513 8.513 7.829 0.684 17645 534 1 2 . 1 1 29 29 GLY N N 44 108.379 108.379 110.622 -2.243 17645 535 1 2 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.900 0.640 17645 536 1 2 . 1 1 29 29 GLY H H 44 8.425 8.425 8.644 -0.219 17645 537 1 2 . 1 1 30 30 LYS N N 45 119.932 119.932 120.073 -0.141 17645 538 1 2 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.081 -0.002 17645 539 1 2 . 1 1 30 30 LYS CA C 45 60.520 60.520 60.435 0.085 17645 540 1 2 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.358 0.712 17645 541 1 2 . 1 1 30 30 LYS H H 45 8.269 8.269 8.527 -0.258 17645 542 1 2 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.426 -0.118 17645 543 1 2 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.794 1.246 17645 544 1 2 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.331 0.489 17645 545 1 2 . 1 1 32 32 GLU N N 47 118.526 118.526 118.115 0.411 17645 546 1 2 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.050 0.083 17645 547 1 2 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.674 0.496 17645 548 1 2 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.514 0.396 17645 549 1 2 . 1 1 32 32 GLU H H 47 8.189 8.189 8.163 0.026 17645 550 1 2 . 1 1 33 33 VAL N N 48 120.183 120.183 120.588 -0.405 17645 551 1 2 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.711 0.201 17645 552 1 2 . 1 1 33 33 VAL CA C 48 66.300 66.300 65.817 0.483 17645 553 1 2 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.696 0.664 17645 554 1 2 . 1 1 33 33 VAL H H 48 7.744 7.744 8.440 -0.696 17645 555 1 2 . 1 1 34 34 ASN N N 49 119.700 119.700 117.812 1.888 17645 556 1 2 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.464 -0.014 17645 557 1 2 . 1 1 34 34 ASN CA C 49 57.050 57.050 55.926 1.124 17645 558 1 2 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.563 1.087 17645 559 1 2 . 1 1 34 34 ASN H H 49 8.582 8.582 8.821 -0.239 17645 560 1 2 . 1 1 35 35 ARG N N 50 121.009 121.009 120.890 0.119 17645 561 1 2 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.077 0.060 17645 562 1 2 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.161 0.609 17645 563 1 2 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.169 0.601 17645 564 1 2 . 1 1 35 35 ARG H H 50 7.848 7.848 7.740 0.108 17645 565 1 2 . 1 1 36 36 GLN N N 51 119.394 119.394 119.268 0.126 17645 566 1 2 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.088 -0.025 17645 567 1 2 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.882 1.128 17645 568 1 2 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.966 0.804 17645 569 1 2 . 1 1 36 36 GLN H H 51 7.685 7.685 7.726 -0.041 17645 570 1 2 . 1 1 37 37 ILE N N 52 122.006 122.006 119.760 2.246 17645 571 1 2 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.686 -0.232 17645 572 1 2 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.186 1.113 17645 573 1 2 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.536 1.364 17645 574 1 2 . 1 1 37 37 ILE H H 52 8.293 8.293 8.829 -0.536 17645 575 1 2 . 1 1 38 38 LYS N N 53 121.163 121.163 120.725 0.438 17645 576 1 2 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.967 0.204 17645 577 1 2 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.040 -0.990 17645 578 1 2 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.222 -0.292 17645 579 1 2 . 1 1 38 38 LYS H H 53 8.169 8.169 7.800 0.369 17645 580 1 2 . 1 1 39 39 ASN N N 54 117.219 117.219 118.123 -0.904 17645 581 1 2 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.420 0.063 17645 582 1 2 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.997 0.613 17645 583 1 2 . 1 1 39 39 ASN CB C 54 38.440 38.440 38.071 0.369 17645 584 1 2 . 1 1 39 39 ASN H H 54 8.171 8.171 7.895 0.276 17645 585 1 2 . 1 1 40 40 LEU N N 55 123.907 123.907 120.263 3.644 17645 586 1 2 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.056 0.149 17645 587 1 2 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.397 0.443 17645 588 1 2 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.731 0.339 17645 589 1 2 . 1 1 40 40 LEU H H 55 7.702 7.702 7.838 -0.136 17645 590 1 2 . 1 1 41 41 GLU N N 56 121.779 121.779 119.887 1.892 17645 591 1 2 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.943 -0.241 17645 592 1 2 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.468 1.982 17645 593 1 2 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.018 1.312 17645 594 1 2 . 1 1 41 41 GLU H H 56 8.442 8.442 8.156 0.286 17645 595 1 2 . 1 1 42 42 ILE N N 57 119.133 119.133 120.451 -1.318 17645 596 1 2 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.705 0.178 17645 597 1 2 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.077 0.473 17645 598 1 2 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.661 1.289 17645 599 1 2 . 1 1 42 42 ILE H H 57 8.531 8.531 8.084 0.447 17645 600 1 2 . 1 1 43 43 SER N N 58 118.622 118.622 116.652 1.970 17645 601 1 2 . 1 1 43 43 SER HA H 58 4.322 4.322 4.030 0.292 17645 602 1 2 . 1 1 43 43 SER CA C 58 62.940 62.940 62.224 0.716 17645 603 1 2 . 1 1 43 43 SER CB C 58 63.500 63.500 63.105 0.395 17645 604 1 2 . 1 1 43 43 SER H H 58 8.027 8.027 7.565 0.462 17645 605 1 2 . 1 1 44 44 ILE N N 59 126.416 126.416 122.015 4.401 17645 606 1 2 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.556 0.072 17645 607 1 2 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.813 1.097 17645 608 1 2 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.698 1.462 17645 609 1 2 . 1 1 44 44 ILE H H 59 8.543 8.543 8.335 0.208 17645 610 1 2 . 1 1 45 45 ASP N N 60 121.563 121.563 119.637 1.926 17645 611 1 2 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.291 0.116 17645 612 1 2 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.534 0.746 17645 613 1 2 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.884 -0.124 17645 614 1 2 . 1 1 45 45 ASP H H 60 8.406 8.406 7.848 0.558 17645 615 1 2 . 1 1 46 46 ALA N N 61 123.500 123.500 122.615 0.885 17645 616 1 2 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.042 0.160 17645 617 1 2 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.118 0.592 17645 618 1 2 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.401 0.258 17645 619 1 2 . 1 1 46 46 ALA H H 61 8.538 8.538 7.964 0.574 17645 620 1 2 . 1 1 47 47 LEU N N 62 121.942 121.942 119.717 2.225 17645 621 1 2 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.872 0.422 17645 622 1 2 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.723 -0.063 17645 623 1 2 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.797 -0.657 17645 624 1 2 . 1 1 47 47 LEU H H 62 7.801 7.801 7.757 0.044 17645 625 1 2 . 1 1 48 48 MET N N 63 118.068 118.068 118.662 -0.594 17645 626 1 2 . 1 1 48 48 MET HA H 63 3.945 3.945 3.875 0.070 17645 627 1 2 . 1 1 48 48 MET CA C 63 60.330 60.330 59.243 1.087 17645 628 1 2 . 1 1 48 48 MET CB C 63 33.110 33.110 32.424 0.686 17645 629 1 2 . 1 1 48 48 MET H H 63 8.261 8.261 7.808 0.453 17645 630 1 2 . 1 1 49 49 ALA N N 64 120.428 120.428 118.804 1.624 17645 631 1 2 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.055 0.046 17645 632 1 2 . 1 1 49 49 ALA CA C 64 55.770 55.770 55.044 0.726 17645 633 1 2 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.094 0.676 17645 634 1 2 . 1 1 49 49 ALA H H 64 8.045 8.045 7.995 0.050 17645 635 1 2 . 1 1 50 50 LYS N N 65 121.947 121.947 117.998 3.949 17645 636 1 2 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.303 -0.264 17645 637 1 2 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.656 1.864 17645 638 1 2 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.750 0.930 17645 639 1 2 . 1 1 50 50 LYS H H 65 8.063 8.063 7.855 0.208 17645 640 1 2 . 1 1 51 51 ILE N N 66 121.189 121.189 118.689 2.500 17645 641 1 2 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.896 -0.146 17645 642 1 2 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.562 3.178 17645 643 1 2 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.442 1.678 17645 644 1 2 . 1 1 51 51 ILE H H 66 8.437 8.437 8.260 0.177 17645 645 1 2 . 1 1 52 52 LYS N N 67 117.119 117.119 118.121 -1.002 17645 646 1 2 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.352 -0.216 17645 647 1 2 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.624 1.586 17645 648 1 2 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.150 0.530 17645 649 1 2 . 1 1 52 52 LYS H H 67 7.622 7.622 7.799 -0.177 17645 650 1 2 . 1 1 53 53 SER N N 68 111.824 111.824 114.403 -2.579 17645 651 1 2 . 1 1 53 53 SER HA H 68 4.602 4.602 4.546 0.056 17645 652 1 2 . 1 1 53 53 SER CA C 68 59.960 59.960 58.459 1.501 17645 653 1 2 . 1 1 53 53 SER CB C 68 65.750 65.750 62.979 2.771 17645 654 1 2 . 1 1 53 53 SER H H 68 7.750 7.750 7.789 -0.039 17645 655 1 2 . 1 1 54 54 THR N N 69 115.916 115.916 111.649 4.267 17645 656 1 2 . 1 1 54 54 THR HA H 69 4.596 4.596 4.287 0.309 17645 657 1 2 . 1 1 54 54 THR CA C 69 62.460 62.460 61.576 0.884 17645 658 1 2 . 1 1 54 54 THR CB C 69 71.650 71.650 69.755 1.895 17645 659 1 2 . 1 1 54 54 THR H H 69 7.972 7.972 7.109 0.863 17645 660 1 2 . 1 1 55 55 MET N N 70 121.343 121.343 122.969 -1.626 17645 661 1 2 . 1 1 55 55 MET HA H 70 4.551 4.551 4.546 0.005 17645 662 1 2 . 1 1 55 55 MET CA C 70 56.050 56.050 54.096 1.954 17645 663 1 2 . 1 1 55 55 MET CB C 70 32.500 32.500 31.327 1.173 17645 664 1 2 . 1 1 55 55 MET H H 70 8.306 8.306 8.576 -0.270 17645 665 1 2 . 1 1 56 56 MET N N 71 123.196 123.196 122.950 0.246 17645 666 1 2 . 1 1 56 56 MET HA H 71 4.706 4.706 4.608 0.098 17645 667 1 2 . 1 1 56 56 MET CA C 71 55.860 55.860 53.954 1.906 17645 668 1 2 . 1 1 56 56 MET CB C 71 37.620 37.620 33.665 3.955 17645 669 1 2 . 1 1 56 56 MET H H 71 8.114 8.114 7.918 0.196 17645 670 1 2 . 1 1 57 57 THR N N 72 113.158 113.158 118.141 -4.983 17645 671 1 2 . 1 1 57 57 THR HA H 72 4.483 4.483 4.461 0.022 17645 672 1 2 . 1 1 57 57 THR CA C 72 61.080 61.080 62.528 -1.448 17645 673 1 2 . 1 1 57 57 THR CB C 72 71.670 71.670 69.862 1.808 17645 674 1 2 . 1 1 57 57 THR H H 72 8.486 8.486 8.415 0.071 17645 675 1 2 . 1 1 58 58 ARG N N 73 121.911 121.911 125.503 -3.592 17645 676 1 2 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.938 -0.029 17645 677 1 2 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.388 0.133 17645 678 1 2 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.188 0.142 17645 679 1 2 . 1 1 58 58 ARG H H 73 8.961 8.961 8.848 0.113 17645 680 1 2 . 1 1 59 59 GLU N N 74 118.955 118.955 118.586 0.369 17645 681 1 2 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.000 0.032 17645 682 1 2 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.969 0.920 17645 683 1 2 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.171 0.789 17645 684 1 2 . 1 1 59 59 GLU H H 74 8.833 8.833 8.725 0.108 17645 685 1 2 . 1 1 60 60 GLN N N 75 121.077 121.077 118.390 2.687 17645 686 1 2 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.111 -0.121 17645 687 1 2 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.809 0.591 17645 688 1 2 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.445 0.945 17645 689 1 2 . 1 1 60 60 GLN H H 75 7.801 7.801 7.746 0.055 17645 690 1 2 . 1 1 61 61 ILE N N 76 120.016 120.016 119.931 0.085 17645 691 1 2 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.889 -0.460 17645 692 1 2 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.779 3.081 17645 693 1 2 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.780 1.930 17645 694 1 2 . 1 1 61 61 ILE H H 76 8.250 8.250 7.598 0.652 17645 695 1 2 . 1 1 62 62 GLN N N 77 119.153 119.153 119.797 -0.644 17645 696 1 2 . 1 1 62 62 GLN HA H 77 3.767 3.767 3.968 -0.201 17645 697 1 2 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.217 0.553 17645 698 1 2 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.497 0.583 17645 699 1 2 . 1 1 62 62 GLN H H 77 8.295 8.295 8.215 0.080 17645 700 1 2 . 1 1 63 63 LYS N N 78 118.200 118.200 119.892 -1.692 17645 701 1 2 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.062 0.092 17645 702 1 2 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.411 0.739 17645 703 1 2 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.269 1.041 17645 704 1 2 . 1 1 63 63 LYS H H 78 7.839 7.839 7.856 -0.017 17645 705 1 2 . 1 1 64 64 GLU N N 79 120.133 120.133 118.404 1.729 17645 706 1 2 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.017 0.125 17645 707 1 2 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.487 0.843 17645 708 1 2 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.419 1.191 17645 709 1 2 . 1 1 64 64 GLU H H 79 7.899 7.899 7.956 -0.057 17645 710 1 2 . 1 1 65 65 TYR N N 80 122.505 122.505 119.682 2.823 17645 711 1 2 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.228 -0.286 17645 712 1 2 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.312 1.448 17645 713 1 2 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.395 1.075 17645 714 1 2 . 1 1 65 65 TYR H H 80 9.023 9.023 8.015 1.008 17645 715 1 2 . 1 1 66 66 ASP N N 81 120.497 120.497 119.898 0.599 17645 716 1 2 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.414 -0.197 17645 717 1 2 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.572 0.528 17645 718 1 2 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.546 0.094 17645 719 1 2 . 1 1 66 66 ASP H H 81 9.089 9.089 8.025 1.064 17645 720 1 2 . 1 1 67 67 ALA N N 82 122.397 122.397 122.534 -0.137 17645 721 1 2 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.114 0.073 17645 722 1 2 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.222 0.608 17645 723 1 2 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.447 0.473 17645 724 1 2 . 1 1 67 67 ALA H H 82 7.636 7.636 8.237 -0.601 17645 725 1 2 . 1 1 68 68 LEU N N 83 121.806 121.806 118.271 3.535 17645 726 1 2 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.069 0.076 17645 727 1 2 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.695 0.585 17645 728 1 2 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.896 0.964 17645 729 1 2 . 1 1 68 68 LEU H H 83 7.727 7.727 7.706 0.021 17645 730 1 2 . 1 1 69 69 VAL N N 84 123.560 123.560 120.227 3.333 17645 731 1 2 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.666 -0.361 17645 732 1 2 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.877 1.163 17645 733 1 2 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.160 1.030 17645 734 1 2 . 1 1 69 69 VAL H H 84 8.560 8.560 7.924 0.636 17645 735 1 2 . 1 1 70 70 LYS N N 85 121.398 121.398 121.514 -0.116 17645 736 1 2 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.230 -0.138 17645 737 1 2 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.822 0.428 17645 738 1 2 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.213 0.547 17645 739 1 2 . 1 1 70 70 LYS H H 85 7.956 7.956 8.760 -0.804 17645 740 1 2 . 1 1 71 71 SER N N 86 114.825 114.825 113.602 1.223 17645 741 1 2 . 1 1 71 71 SER HA H 86 4.298 4.298 4.169 0.129 17645 742 1 2 . 1 1 71 71 SER CA C 86 62.810 62.810 61.769 1.041 17645 743 1 2 . 1 1 71 71 SER CB C 86 63.640 63.640 63.025 0.615 17645 744 1 2 . 1 1 71 71 SER H H 86 8.284 8.284 7.866 0.418 17645 745 1 2 . 1 1 72 72 SER N N 87 118.845 118.845 117.363 1.482 17645 746 1 2 . 1 1 72 72 SER HA H 87 4.269 4.269 3.933 0.336 17645 747 1 2 . 1 1 72 72 SER CA C 87 62.940 62.940 61.078 1.863 17645 748 1 2 . 1 1 72 72 SER CB C 87 63.870 63.870 62.935 0.935 17645 749 1 2 . 1 1 72 72 SER H H 87 8.421 8.421 7.998 0.423 17645 750 1 2 . 1 1 73 73 GLU N N 88 124.809 124.809 121.763 3.046 17645 751 1 2 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.889 0.163 17645 752 1 2 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.636 0.594 17645 753 1 2 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.523 0.707 17645 754 1 2 . 1 1 73 73 GLU H H 88 8.376 8.376 8.114 0.262 17645 755 1 2 . 1 1 74 74 ASP N N 89 122.193 122.193 120.088 2.105 17645 756 1 2 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.373 0.038 17645 757 1 2 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.743 0.167 17645 758 1 2 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.722 -0.142 17645 759 1 2 . 1 1 74 74 ASP H H 89 8.734 8.734 7.776 0.958 17645 760 1 2 . 1 1 75 75 LEU N N 90 123.280 123.280 121.328 1.952 17645 761 1 2 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.935 0.355 17645 762 1 2 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.129 0.431 17645 763 1 2 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.671 0.359 17645 764 1 2 . 1 1 75 75 LEU H H 90 7.986 7.986 7.462 0.524 17645 765 1 2 . 1 1 76 76 LEU N N 91 120.488 120.488 119.475 1.013 17645 766 1 2 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.888 -0.050 17645 767 1 2 . 1 1 76 76 LEU CA C 91 59.200 59.200 57.915 1.285 17645 768 1 2 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.109 0.401 17645 769 1 2 . 1 1 76 76 LEU H H 91 8.280 8.280 7.774 0.506 17645 770 1 2 . 1 1 77 77 SER N N 92 113.817 113.817 114.910 -1.093 17645 771 1 2 . 1 1 77 77 SER HA H 92 4.235 4.235 4.075 0.160 17645 772 1 2 . 1 1 77 77 SER CA C 92 62.200 62.200 62.100 0.100 17645 773 1 2 . 1 1 77 77 SER CB C 92 63.440 63.440 62.745 0.695 17645 774 1 2 . 1 1 77 77 SER H H 92 8.219 8.219 7.902 0.317 17645 775 1 2 . 1 1 78 78 ALA N N 93 124.902 124.902 124.768 0.134 17645 776 1 2 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.131 0.035 17645 777 1 2 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.970 0.890 17645 778 1 2 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.318 0.442 17645 779 1 2 . 1 1 78 78 ALA H H 93 7.949 7.949 8.037 -0.088 17645 780 1 2 . 1 1 79 79 LEU N N 94 120.602 120.602 119.127 1.475 17645 781 1 2 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.927 0.140 17645 782 1 2 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.340 0.130 17645 783 1 2 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.482 1.128 17645 784 1 2 . 1 1 79 79 LEU H H 94 8.587 8.587 8.464 0.123 17645 785 1 2 . 1 1 80 80 GLN N N 95 119.525 119.525 118.589 0.936 17645 786 1 2 . 1 1 80 80 GLN HA H 95 4.048 4.048 4.008 0.040 17645 787 1 2 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.140 0.450 17645 788 1 2 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.173 0.667 17645 789 1 2 . 1 1 80 80 GLN H H 95 8.561 8.561 8.486 0.075 17645 790 1 2 . 1 1 81 81 LYS N N 96 121.075 121.075 119.408 1.667 17645 791 1 2 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.098 0.039 17645 792 1 2 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.270 0.780 17645 793 1 2 . 1 1 81 81 LYS CB C 96 32.940 32.940 31.971 0.969 17645 794 1 2 . 1 1 81 81 LYS H H 96 8.003 8.003 7.853 0.150 17645 795 1 2 . 1 1 82 82 LYS N N 97 121.415 121.415 120.300 1.115 17645 796 1 2 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.998 0.127 17645 797 1 2 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.799 0.171 17645 798 1 2 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.508 0.612 17645 799 1 2 . 1 1 82 82 LYS H H 97 7.903 7.903 7.783 0.120 17645 800 1 2 . 1 1 83 83 LYS N N 98 121.081 121.081 119.082 1.999 17645 801 1 2 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.041 -0.059 17645 802 1 2 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.057 0.952 17645 803 1 2 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.932 1.188 17645 804 1 2 . 1 1 83 83 LYS H H 98 8.202 8.202 7.780 0.422 17645 805 1 2 . 1 1 84 84 GLN N N 99 119.576 119.576 118.468 1.108 17645 806 1 2 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.165 -0.041 17645 807 1 2 . 1 1 84 84 GLN CA C 99 59.810 59.810 57.883 1.927 17645 808 1 2 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.361 0.599 17645 809 1 2 . 1 1 84 84 GLN H H 99 8.125 8.125 8.083 0.042 17645 810 1 2 . 1 1 85 85 GLN N N 100 120.009 120.009 118.778 1.231 17645 811 1 2 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.169 -0.048 17645 812 1 2 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.720 2.870 17645 813 1 2 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.598 -0.578 17645 814 1 2 . 1 1 85 85 GLN H H 100 8.341 8.341 7.590 0.751 17645 815 1 2 . 1 1 86 86 GLU N N 101 121.718 121.718 117.361 4.357 17645 816 1 2 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.865 0.270 17645 817 1 2 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.731 2.699 17645 818 1 2 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.343 0.797 17645 819 1 2 . 1 1 86 86 GLU H H 101 8.275 8.275 8.400 -0.125 17645 820 1 2 . 1 1 87 87 GLU N N 102 121.412 121.412 119.263 2.149 17645 821 1 2 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.258 -0.142 17645 822 1 2 . 1 1 87 87 GLU CA C 102 59.960 59.960 57.823 2.137 17645 823 1 2 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.421 -0.131 17645 824 1 2 . 1 1 87 87 GLU H H 102 8.330 8.330 8.740 -0.410 17645 825 1 3 . 1 1 2 2 GLY N N 17 110.356 110.356 111.511 -1.155 17645 826 1 3 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.902 0.708 17645 827 1 3 . 1 1 2 2 GLY H H 17 8.065 8.065 8.627 -0.562 17645 828 1 3 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.268 0.125 17645 829 1 3 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.928 0.742 17645 830 1 3 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.073 0.627 17645 831 1 3 . 1 1 4 4 GLY CA C 19 46.730 46.730 44.979 1.751 17645 832 1 3 . 1 1 5 5 SER HA H 20 4.192 4.192 4.411 -0.219 17645 833 1 3 . 1 1 5 5 SER CA C 20 60.960 60.960 59.644 1.316 17645 834 1 3 . 1 1 5 5 SER CB C 20 64.250 64.250 63.599 0.651 17645 835 1 3 . 1 1 6 6 LEU N N 21 122.731 122.731 125.018 -2.287 17645 836 1 3 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.008 0.112 17645 837 1 3 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.875 -0.155 17645 838 1 3 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.614 1.356 17645 839 1 3 . 1 1 6 6 LEU H H 21 8.052 8.052 7.814 0.238 17645 840 1 3 . 1 1 7 7 VAL N N 22 119.948 119.948 118.110 1.838 17645 841 1 3 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.585 0.168 17645 842 1 3 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.550 -1.200 17645 843 1 3 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.854 0.746 17645 844 1 3 . 1 1 7 7 VAL H H 22 7.676 7.676 8.230 -0.554 17645 845 1 3 . 1 1 8 8 LYS N N 23 122.400 122.400 119.176 3.224 17645 846 1 3 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.070 0.117 17645 847 1 3 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.021 -0.191 17645 848 1 3 . 1 1 8 8 LYS CB C 23 32.560 32.560 31.881 0.680 17645 849 1 3 . 1 1 8 8 LYS H H 23 7.830 7.830 7.605 0.225 17645 850 1 3 . 1 1 9 9 VAL N N 24 121.205 121.205 118.598 2.607 17645 851 1 3 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.691 0.135 17645 852 1 3 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.532 0.327 17645 853 1 3 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.378 1.073 17645 854 1 3 . 1 1 9 9 VAL H H 24 8.194 8.194 7.597 0.597 17645 855 1 3 . 1 1 10 10 GLY N N 25 107.900 107.900 106.406 1.494 17645 856 1 3 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.485 0.175 17645 857 1 3 . 1 1 10 10 GLY H H 25 8.446 8.446 8.071 0.375 17645 858 1 3 . 1 1 11 11 THR N N 26 116.800 116.800 119.384 -2.584 17645 859 1 3 . 1 1 11 11 THR HA H 26 4.109 4.109 3.945 0.164 17645 860 1 3 . 1 1 11 11 THR CA C 26 66.300 66.300 66.378 -0.078 17645 861 1 3 . 1 1 11 11 THR CB C 26 69.690 69.690 68.423 1.267 17645 862 1 3 . 1 1 11 11 THR H H 26 7.992 7.992 7.750 0.242 17645 863 1 3 . 1 1 12 12 LEU N N 27 123.983 123.983 122.947 1.036 17645 864 1 3 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.001 0.126 17645 865 1 3 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.123 0.347 17645 866 1 3 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.678 1.131 17645 867 1 3 . 1 1 12 12 LEU H H 27 7.934 7.934 8.000 -0.066 17645 868 1 3 . 1 1 13 13 LYS N N 28 117.513 117.513 118.939 -1.426 17645 869 1 3 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.727 0.176 17645 870 1 3 . 1 1 13 13 LYS CA C 28 60.150 60.150 60.144 0.006 17645 871 1 3 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.198 0.532 17645 872 1 3 . 1 1 13 13 LYS H H 28 7.824 7.824 7.856 -0.032 17645 873 1 3 . 1 1 14 14 LYS N N 29 119.275 119.275 118.657 0.618 17645 874 1 3 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.985 0.166 17645 875 1 3 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.603 -0.144 17645 876 1 3 . 1 1 14 14 LYS CB C 29 32.750 32.750 31.995 0.755 17645 877 1 3 . 1 1 14 14 LYS H H 29 7.685 7.685 7.620 0.065 17645 878 1 3 . 1 1 15 15 ARG N N 30 119.090 119.090 120.023 -0.933 17645 879 1 3 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.783 0.277 17645 880 1 3 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.365 0.664 17645 881 1 3 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.179 1.331 17645 882 1 3 . 1 1 15 15 ARG H H 30 7.709 7.709 7.269 0.440 17645 883 1 3 . 1 1 16 16 LEU N N 31 118.473 118.473 120.527 -2.054 17645 884 1 3 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.722 0.255 17645 885 1 3 . 1 1 16 16 LEU CA C 31 58.080 58.080 57.929 0.151 17645 886 1 3 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.507 -0.187 17645 887 1 3 . 1 1 16 16 LEU H H 31 7.595 7.595 7.984 -0.389 17645 888 1 3 . 1 1 17 17 ASP N N 32 120.020 120.020 118.956 1.064 17645 889 1 3 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.228 0.211 17645 890 1 3 . 1 1 17 17 ASP CA C 32 57.980 57.980 58.047 -0.067 17645 891 1 3 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.419 0.461 17645 892 1 3 . 1 1 17 17 ASP H H 32 7.858 7.858 7.747 0.111 17645 893 1 3 . 1 1 18 18 LYS N N 33 119.708 119.708 120.507 -0.799 17645 894 1 3 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.991 0.207 17645 895 1 3 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.649 -0.179 17645 896 1 3 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.693 0.497 17645 897 1 3 . 1 1 18 18 LYS H H 33 7.564 7.564 7.418 0.146 17645 898 1 3 . 1 1 19 19 PHE N N 34 118.256 118.256 117.361 0.895 17645 899 1 3 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.239 0.012 17645 900 1 3 . 1 1 19 19 PHE CA C 34 60.710 60.710 59.600 1.110 17645 901 1 3 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.584 1.166 17645 902 1 3 . 1 1 19 19 PHE H H 34 7.884 7.884 7.307 0.577 17645 903 1 3 . 1 1 20 20 ASN N N 35 117.779 117.779 118.488 -0.709 17645 904 1 3 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.410 0.050 17645 905 1 3 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.985 0.365 17645 906 1 3 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.242 0.758 17645 907 1 3 . 1 1 20 20 ASN H H 35 8.054 8.054 8.053 0.001 17645 908 1 3 . 1 1 21 21 GLU N N 36 120.312 120.312 121.188 -0.876 17645 909 1 3 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.069 0.037 17645 910 1 3 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.719 0.051 17645 911 1 3 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.694 0.817 17645 912 1 3 . 1 1 21 21 GLU H H 36 7.983 7.983 7.732 0.251 17645 913 1 3 . 1 1 22 22 VAL N N 37 119.756 119.756 119.130 0.626 17645 914 1 3 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.715 0.127 17645 915 1 3 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.396 -0.286 17645 916 1 3 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.677 1.002 17645 917 1 3 . 1 1 22 22 VAL H H 37 7.670 7.670 7.731 -0.061 17645 918 1 3 . 1 1 23 23 VAL N N 38 118.300 118.300 118.918 -0.618 17645 919 1 3 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.706 -0.029 17645 920 1 3 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.792 0.758 17645 921 1 3 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.385 1.095 17645 922 1 3 . 1 1 23 23 VAL H H 38 8.159 8.159 8.281 -0.122 17645 923 1 3 . 1 1 24 24 SER N N 39 113.952 113.952 116.085 -2.133 17645 924 1 3 . 1 1 24 24 SER HA H 39 4.170 4.170 4.051 0.119 17645 925 1 3 . 1 1 24 24 SER CA C 39 61.880 61.880 61.187 0.693 17645 926 1 3 . 1 1 24 24 SER CB C 39 63.740 63.740 63.139 0.601 17645 927 1 3 . 1 1 24 24 SER H H 39 7.773 7.773 8.319 -0.546 17645 928 1 3 . 1 1 25 25 ALA N N 40 122.572 122.572 121.350 1.222 17645 929 1 3 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.182 0.243 17645 930 1 3 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.947 -1.067 17645 931 1 3 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.134 1.316 17645 932 1 3 . 1 1 25 25 ALA H H 40 7.436 7.436 7.633 -0.197 17645 933 1 3 . 1 1 26 26 LEU N N 41 120.677 120.677 114.688 5.989 17645 934 1 3 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.717 -0.336 17645 935 1 3 . 1 1 26 26 LEU CA C 41 55.860 55.860 53.852 2.008 17645 936 1 3 . 1 1 26 26 LEU CB C 41 43.190 43.190 41.419 1.770 17645 937 1 3 . 1 1 26 26 LEU H H 41 7.499 7.499 7.403 0.096 17645 938 1 3 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.985 0.300 17645 939 1 3 . 1 1 27 27 LYS CA C 42 58.250 58.250 58.743 -0.493 17645 940 1 3 . 1 1 27 27 LYS CB C 42 33.870 33.870 32.356 1.514 17645 941 1 3 . 1 1 28 28 ASP N N 43 120.989 120.989 118.481 2.508 17645 942 1 3 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.423 0.378 17645 943 1 3 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.058 -0.498 17645 944 1 3 . 1 1 28 28 ASP CB C 43 43.440 43.440 39.046 4.394 17645 945 1 3 . 1 1 28 28 ASP H H 43 8.513 8.513 8.095 0.418 17645 946 1 3 . 1 1 29 29 GLY N N 44 108.379 108.379 111.744 -3.365 17645 947 1 3 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.054 1.486 17645 948 1 3 . 1 1 29 29 GLY H H 44 8.425 8.425 8.185 0.240 17645 949 1 3 . 1 1 30 30 LYS N N 45 119.932 119.932 120.631 -0.699 17645 950 1 3 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.411 -0.332 17645 951 1 3 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.935 0.585 17645 952 1 3 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.858 0.212 17645 953 1 3 . 1 1 30 30 LYS H H 45 8.269 8.269 7.746 0.523 17645 954 1 3 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.204 0.104 17645 955 1 3 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.987 1.053 17645 956 1 3 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.279 0.541 17645 957 1 3 . 1 1 32 32 GLU N N 47 118.526 118.526 117.400 1.126 17645 958 1 3 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.020 0.113 17645 959 1 3 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.910 0.260 17645 960 1 3 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.218 0.692 17645 961 1 3 . 1 1 32 32 GLU H H 47 8.189 8.189 8.383 -0.194 17645 962 1 3 . 1 1 33 33 VAL N N 48 120.183 120.183 119.759 0.424 17645 963 1 3 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.606 0.306 17645 964 1 3 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.731 -0.430 17645 965 1 3 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.262 1.099 17645 966 1 3 . 1 1 33 33 VAL H H 48 7.744 7.744 7.389 0.355 17645 967 1 3 . 1 1 34 34 ASN N N 49 119.700 119.700 117.442 2.258 17645 968 1 3 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.441 0.009 17645 969 1 3 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.118 0.932 17645 970 1 3 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.848 0.802 17645 971 1 3 . 1 1 34 34 ASN H H 49 8.582 8.582 8.660 -0.078 17645 972 1 3 . 1 1 35 35 ARG N N 50 121.009 121.009 120.998 0.011 17645 973 1 3 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.072 0.065 17645 974 1 3 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.690 0.080 17645 975 1 3 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.183 0.587 17645 976 1 3 . 1 1 35 35 ARG H H 50 7.848 7.848 7.973 -0.125 17645 977 1 3 . 1 1 36 36 GLN N N 51 119.394 119.394 119.238 0.156 17645 978 1 3 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.100 -0.037 17645 979 1 3 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.939 1.071 17645 980 1 3 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.901 0.869 17645 981 1 3 . 1 1 36 36 GLN H H 51 7.685 7.685 7.703 -0.018 17645 982 1 3 . 1 1 37 37 ILE N N 52 122.006 122.006 119.169 2.837 17645 983 1 3 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.725 -0.271 17645 984 1 3 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.494 0.806 17645 985 1 3 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.402 1.498 17645 986 1 3 . 1 1 37 37 ILE H H 52 8.293 8.293 8.847 -0.554 17645 987 1 3 . 1 1 38 38 LYS N N 53 121.163 121.163 120.856 0.307 17645 988 1 3 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.028 0.143 17645 989 1 3 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.185 -1.135 17645 990 1 3 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.370 -0.440 17645 991 1 3 . 1 1 38 38 LYS H H 53 8.169 8.169 7.881 0.288 17645 992 1 3 . 1 1 39 39 ASN N N 54 117.219 117.219 117.924 -0.705 17645 993 1 3 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.469 0.014 17645 994 1 3 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.834 0.776 17645 995 1 3 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.675 0.765 17645 996 1 3 . 1 1 39 39 ASN H H 54 8.171 8.171 7.979 0.192 17645 997 1 3 . 1 1 40 40 LEU N N 55 123.907 123.907 120.943 2.964 17645 998 1 3 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.106 0.099 17645 999 1 3 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.061 0.779 17645 1000 1 3 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.803 0.267 17645 1001 1 3 . 1 1 40 40 LEU H H 55 7.702 7.702 7.876 -0.174 17645 1002 1 3 . 1 1 41 41 GLU N N 56 121.779 121.779 120.834 0.945 17645 1003 1 3 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.942 -0.240 17645 1004 1 3 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.675 1.775 17645 1005 1 3 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.473 0.857 17645 1006 1 3 . 1 1 41 41 GLU H H 56 8.442 8.442 8.087 0.355 17645 1007 1 3 . 1 1 42 42 ILE N N 57 119.133 119.133 120.227 -1.094 17645 1008 1 3 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.718 0.165 17645 1009 1 3 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.342 0.208 17645 1010 1 3 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.855 1.095 17645 1011 1 3 . 1 1 42 42 ILE H H 57 8.531 8.531 8.306 0.225 17645 1012 1 3 . 1 1 43 43 SER N N 58 118.622 118.622 116.631 1.991 17645 1013 1 3 . 1 1 43 43 SER HA H 58 4.322 4.322 4.108 0.214 17645 1014 1 3 . 1 1 43 43 SER CA C 58 62.940 62.940 62.483 0.457 17645 1015 1 3 . 1 1 43 43 SER CB C 58 63.500 63.500 62.942 0.558 17645 1016 1 3 . 1 1 43 43 SER H H 58 8.027 8.027 7.626 0.401 17645 1017 1 3 . 1 1 44 44 ILE N N 59 126.416 126.416 121.963 4.453 17645 1018 1 3 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.623 0.005 17645 1019 1 3 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.549 1.361 17645 1020 1 3 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.745 1.415 17645 1021 1 3 . 1 1 44 44 ILE H H 59 8.543 8.543 8.063 0.480 17645 1022 1 3 . 1 1 45 45 ASP N N 60 121.563 121.563 119.800 1.763 17645 1023 1 3 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.308 0.099 17645 1024 1 3 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.784 0.496 17645 1025 1 3 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.679 0.081 17645 1026 1 3 . 1 1 45 45 ASP H H 60 8.406 8.406 7.889 0.517 17645 1027 1 3 . 1 1 46 46 ALA N N 61 123.500 123.500 122.776 0.724 17645 1028 1 3 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.046 0.156 17645 1029 1 3 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.135 0.575 17645 1030 1 3 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.421 0.239 17645 1031 1 3 . 1 1 46 46 ALA H H 61 8.538 8.538 8.179 0.359 17645 1032 1 3 . 1 1 47 47 LEU N N 62 121.942 121.942 119.740 2.202 17645 1033 1 3 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.886 0.408 17645 1034 1 3 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.641 0.019 17645 1035 1 3 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.845 -0.705 17645 1036 1 3 . 1 1 47 47 LEU H H 62 7.801 7.801 7.726 0.075 17645 1037 1 3 . 1 1 48 48 MET N N 63 118.068 118.068 118.794 -0.726 17645 1038 1 3 . 1 1 48 48 MET HA H 63 3.945 3.945 3.873 0.072 17645 1039 1 3 . 1 1 48 48 MET CA C 63 60.330 60.330 59.214 1.116 17645 1040 1 3 . 1 1 48 48 MET CB C 63 33.110 33.110 32.436 0.674 17645 1041 1 3 . 1 1 48 48 MET H H 63 8.261 8.261 7.796 0.465 17645 1042 1 3 . 1 1 49 49 ALA N N 64 120.428 120.428 118.177 2.251 17645 1043 1 3 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.101 -0.000 17645 1044 1 3 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.497 1.273 17645 1045 1 3 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.370 0.400 17645 1046 1 3 . 1 1 49 49 ALA H H 64 8.045 8.045 7.769 0.276 17645 1047 1 3 . 1 1 50 50 LYS N N 65 121.947 121.947 116.598 5.349 17645 1048 1 3 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.254 -0.215 17645 1049 1 3 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.378 2.142 17645 1050 1 3 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.880 0.800 17645 1051 1 3 . 1 1 50 50 LYS H H 65 8.063 8.063 7.647 0.416 17645 1052 1 3 . 1 1 51 51 ILE N N 66 121.189 121.189 118.175 3.014 17645 1053 1 3 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.956 -0.206 17645 1054 1 3 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.880 2.860 17645 1055 1 3 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.200 1.920 17645 1056 1 3 . 1 1 51 51 ILE H H 66 8.437 8.437 8.386 0.051 17645 1057 1 3 . 1 1 52 52 LYS N N 67 117.119 117.119 118.222 -1.103 17645 1058 1 3 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.460 -0.324 17645 1059 1 3 . 1 1 52 52 LYS CA C 67 59.210 59.210 56.394 2.816 17645 1060 1 3 . 1 1 52 52 LYS CB C 67 33.680 33.680 32.847 0.833 17645 1061 1 3 . 1 1 52 52 LYS H H 67 7.622 7.622 7.780 -0.158 17645 1062 1 3 . 1 1 53 53 SER N N 68 111.824 111.824 114.279 -2.455 17645 1063 1 3 . 1 1 53 53 SER HA H 68 4.602 4.602 4.670 -0.068 17645 1064 1 3 . 1 1 53 53 SER CA C 68 59.960 59.960 58.100 1.860 17645 1065 1 3 . 1 1 53 53 SER CB C 68 65.750 65.750 63.745 2.005 17645 1066 1 3 . 1 1 53 53 SER H H 68 7.750 7.750 7.692 0.058 17645 1067 1 3 . 1 1 54 54 THR N N 69 115.916 115.916 113.243 2.673 17645 1068 1 3 . 1 1 54 54 THR HA H 69 4.596 4.596 4.484 0.112 17645 1069 1 3 . 1 1 54 54 THR CA C 69 62.460 62.460 61.514 0.946 17645 1070 1 3 . 1 1 54 54 THR CB C 69 71.650 71.650 69.638 2.012 17645 1071 1 3 . 1 1 54 54 THR H H 69 7.972 7.972 7.228 0.744 17645 1072 1 3 . 1 1 55 55 MET N N 70 121.343 121.343 119.958 1.385 17645 1073 1 3 . 1 1 55 55 MET HA H 70 4.551 4.551 4.681 -0.130 17645 1074 1 3 . 1 1 55 55 MET CA C 70 56.050 56.050 54.646 1.404 17645 1075 1 3 . 1 1 55 55 MET CB C 70 32.500 32.500 33.361 -0.862 17645 1076 1 3 . 1 1 55 55 MET H H 70 8.306 8.306 8.346 -0.040 17645 1077 1 3 . 1 1 56 56 MET N N 71 123.196 123.196 121.349 1.847 17645 1078 1 3 . 1 1 56 56 MET HA H 71 4.706 4.706 4.311 0.395 17645 1079 1 3 . 1 1 56 56 MET CA C 71 55.860 55.860 56.217 -0.357 17645 1080 1 3 . 1 1 56 56 MET CB C 71 37.620 37.620 33.214 4.406 17645 1081 1 3 . 1 1 56 56 MET H H 71 8.114 8.114 7.453 0.661 17645 1082 1 3 . 1 1 57 57 THR N N 72 113.158 113.158 119.968 -6.810 17645 1083 1 3 . 1 1 57 57 THR HA H 72 4.483 4.483 4.404 0.079 17645 1084 1 3 . 1 1 57 57 THR CA C 72 61.080 61.080 62.642 -1.562 17645 1085 1 3 . 1 1 57 57 THR CB C 72 71.670 71.670 70.099 1.571 17645 1086 1 3 . 1 1 57 57 THR H H 72 8.486 8.486 8.256 0.230 17645 1087 1 3 . 1 1 58 58 ARG N N 73 121.911 121.911 124.429 -2.518 17645 1088 1 3 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.923 -0.014 17645 1089 1 3 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.398 1.122 17645 1090 1 3 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.940 0.390 17645 1091 1 3 . 1 1 58 58 ARG H H 73 8.961 8.961 8.936 0.025 17645 1092 1 3 . 1 1 59 59 GLU N N 74 118.955 118.955 119.579 -0.624 17645 1093 1 3 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.063 -0.031 17645 1094 1 3 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.488 1.402 17645 1095 1 3 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.743 1.217 17645 1096 1 3 . 1 1 59 59 GLU H H 74 8.833 8.833 8.667 0.166 17645 1097 1 3 . 1 1 60 60 GLN N N 75 121.077 121.077 118.791 2.286 17645 1098 1 3 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.117 -0.127 17645 1099 1 3 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.895 0.505 17645 1100 1 3 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.294 1.096 17645 1101 1 3 . 1 1 60 60 GLN H H 75 7.801 7.801 7.645 0.156 17645 1102 1 3 . 1 1 61 61 ILE N N 76 120.016 120.016 119.254 0.762 17645 1103 1 3 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.875 -0.446 17645 1104 1 3 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.437 3.423 17645 1105 1 3 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.808 1.902 17645 1106 1 3 . 1 1 61 61 ILE H H 76 8.250 8.250 7.458 0.792 17645 1107 1 3 . 1 1 62 62 GLN N N 77 119.153 119.153 120.495 -1.342 17645 1108 1 3 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.016 -0.249 17645 1109 1 3 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.141 0.629 17645 1110 1 3 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.125 0.955 17645 1111 1 3 . 1 1 62 62 GLN H H 77 8.295 8.295 8.242 0.053 17645 1112 1 3 . 1 1 63 63 LYS N N 78 118.200 118.200 120.030 -1.830 17645 1113 1 3 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.067 0.087 17645 1114 1 3 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.473 0.677 17645 1115 1 3 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.186 1.124 17645 1116 1 3 . 1 1 63 63 LYS H H 78 7.839 7.839 7.886 -0.047 17645 1117 1 3 . 1 1 64 64 GLU N N 79 120.133 120.133 120.175 -0.042 17645 1118 1 3 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.002 0.140 17645 1119 1 3 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.498 0.832 17645 1120 1 3 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.700 0.910 17645 1121 1 3 . 1 1 64 64 GLU H H 79 7.899 7.899 7.853 0.046 17645 1122 1 3 . 1 1 65 65 TYR N N 80 122.505 122.505 119.961 2.544 17645 1123 1 3 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.217 -0.275 17645 1124 1 3 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.465 1.296 17645 1125 1 3 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.461 1.009 17645 1126 1 3 . 1 1 65 65 TYR H H 80 9.023 9.023 8.243 0.780 17645 1127 1 3 . 1 1 66 66 ASP N N 81 120.497 120.497 119.640 0.857 17645 1128 1 3 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.489 -0.272 17645 1129 1 3 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.119 0.981 17645 1130 1 3 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.591 0.049 17645 1131 1 3 . 1 1 66 66 ASP H H 81 9.089 9.089 7.808 1.281 17645 1132 1 3 . 1 1 67 67 ALA N N 82 122.397 122.397 122.481 -0.084 17645 1133 1 3 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.110 0.077 17645 1134 1 3 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.110 0.720 17645 1135 1 3 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.462 0.458 17645 1136 1 3 . 1 1 67 67 ALA H H 82 7.636 7.636 8.335 -0.699 17645 1137 1 3 . 1 1 68 68 LEU N N 83 121.806 121.806 118.416 3.390 17645 1138 1 3 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.039 0.106 17645 1139 1 3 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.819 0.461 17645 1140 1 3 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.892 0.968 17645 1141 1 3 . 1 1 68 68 LEU H H 83 7.727 7.727 7.651 0.076 17645 1142 1 3 . 1 1 69 69 VAL N N 84 123.560 123.560 120.451 3.109 17645 1143 1 3 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.689 -0.384 17645 1144 1 3 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.058 1.982 17645 1145 1 3 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.818 1.372 17645 1146 1 3 . 1 1 69 69 VAL H H 84 8.560 8.560 7.847 0.713 17645 1147 1 3 . 1 1 70 70 LYS N N 85 121.398 121.398 120.462 0.936 17645 1148 1 3 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.074 0.018 17645 1149 1 3 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.333 0.917 17645 1150 1 3 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.181 0.579 17645 1151 1 3 . 1 1 70 70 LYS H H 85 7.956 7.956 8.385 -0.429 17645 1152 1 3 . 1 1 71 71 SER N N 86 114.825 114.825 114.976 -0.151 17645 1153 1 3 . 1 1 71 71 SER HA H 86 4.298 4.298 4.117 0.181 17645 1154 1 3 . 1 1 71 71 SER CA C 86 62.810 62.810 61.833 0.977 17645 1155 1 3 . 1 1 71 71 SER CB C 86 63.640 63.640 63.044 0.596 17645 1156 1 3 . 1 1 71 71 SER H H 86 8.284 8.284 7.845 0.439 17645 1157 1 3 . 1 1 72 72 SER N N 87 118.845 118.845 118.426 0.419 17645 1158 1 3 . 1 1 72 72 SER HA H 87 4.269 4.269 3.968 0.301 17645 1159 1 3 . 1 1 72 72 SER CA C 87 62.940 62.940 61.769 1.171 17645 1160 1 3 . 1 1 72 72 SER CB C 87 63.870 63.870 63.038 0.832 17645 1161 1 3 . 1 1 72 72 SER H H 87 8.421 8.421 8.266 0.155 17645 1162 1 3 . 1 1 73 73 GLU N N 88 124.809 124.809 120.613 4.196 17645 1163 1 3 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.852 0.200 17645 1164 1 3 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.540 0.690 17645 1165 1 3 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.178 1.052 17645 1166 1 3 . 1 1 73 73 GLU H H 88 8.376 8.376 7.767 0.609 17645 1167 1 3 . 1 1 74 74 ASP N N 89 122.193 122.193 119.056 3.137 17645 1168 1 3 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.418 -0.007 17645 1169 1 3 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.931 0.979 17645 1170 1 3 . 1 1 74 74 ASP CB C 89 40.580 40.580 41.084 -0.504 17645 1171 1 3 . 1 1 74 74 ASP H H 89 8.734 8.734 7.798 0.936 17645 1172 1 3 . 1 1 75 75 LEU N N 90 123.280 123.280 121.384 1.896 17645 1173 1 3 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.049 0.241 17645 1174 1 3 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.546 1.014 17645 1175 1 3 . 1 1 75 75 LEU CB C 90 42.030 42.030 42.050 -0.020 17645 1176 1 3 . 1 1 75 75 LEU H H 90 7.986 7.986 7.084 0.902 17645 1177 1 3 . 1 1 76 76 LEU N N 91 120.488 120.488 119.200 1.288 17645 1178 1 3 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.732 0.106 17645 1179 1 3 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.265 0.935 17645 1180 1 3 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.008 0.502 17645 1181 1 3 . 1 1 76 76 LEU H H 91 8.280 8.280 8.026 0.254 17645 1182 1 3 . 1 1 77 77 SER N N 92 113.817 113.817 114.680 -0.863 17645 1183 1 3 . 1 1 77 77 SER HA H 92 4.235 4.235 4.030 0.205 17645 1184 1 3 . 1 1 77 77 SER CA C 92 62.200 62.200 62.165 0.035 17645 1185 1 3 . 1 1 77 77 SER CB C 92 63.440 63.440 62.899 0.541 17645 1186 1 3 . 1 1 77 77 SER H H 92 8.219 8.219 7.926 0.293 17645 1187 1 3 . 1 1 78 78 ALA N N 93 124.902 124.902 124.047 0.855 17645 1188 1 3 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.146 0.020 17645 1189 1 3 . 1 1 78 78 ALA CA C 93 55.860 55.860 55.020 0.840 17645 1190 1 3 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.323 0.437 17645 1191 1 3 . 1 1 78 78 ALA H H 93 7.949 7.949 7.548 0.401 17645 1192 1 3 . 1 1 79 79 LEU N N 94 120.602 120.602 116.446 4.156 17645 1193 1 3 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.981 0.086 17645 1194 1 3 . 1 1 79 79 LEU CA C 94 58.470 58.470 57.768 0.702 17645 1195 1 3 . 1 1 79 79 LEU CB C 94 42.610 42.610 40.915 1.695 17645 1196 1 3 . 1 1 79 79 LEU H H 94 8.587 8.587 8.103 0.484 17645 1197 1 3 . 1 1 80 80 GLN N N 95 119.525 119.525 120.065 -0.540 17645 1198 1 3 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.888 0.160 17645 1199 1 3 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.733 -0.143 17645 1200 1 3 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.917 -0.077 17645 1201 1 3 . 1 1 80 80 GLN H H 95 8.561 8.561 8.696 -0.135 17645 1202 1 3 . 1 1 81 81 LYS N N 96 121.075 121.075 118.313 2.762 17645 1203 1 3 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.020 0.117 17645 1204 1 3 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.233 0.817 17645 1205 1 3 . 1 1 81 81 LYS CB C 96 32.940 32.940 31.994 0.946 17645 1206 1 3 . 1 1 81 81 LYS H H 96 8.003 8.003 7.808 0.195 17645 1207 1 3 . 1 1 82 82 LYS N N 97 121.415 121.415 120.243 1.172 17645 1208 1 3 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.109 0.016 17645 1209 1 3 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.026 0.945 17645 1210 1 3 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.522 0.598 17645 1211 1 3 . 1 1 82 82 LYS H H 97 7.903 7.903 7.884 0.019 17645 1212 1 3 . 1 1 83 83 LYS N N 98 121.081 121.081 119.711 1.370 17645 1213 1 3 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.141 -0.159 17645 1214 1 3 . 1 1 83 83 LYS CA C 98 60.010 60.010 58.686 1.324 17645 1215 1 3 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.038 1.082 17645 1216 1 3 . 1 1 83 83 LYS H H 98 8.202 8.202 7.923 0.279 17645 1217 1 3 . 1 1 84 84 GLN N N 99 119.576 119.576 117.903 1.673 17645 1218 1 3 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.154 -0.030 17645 1219 1 3 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.278 1.532 17645 1220 1 3 . 1 1 84 84 GLN CB C 99 28.960 28.960 29.228 -0.268 17645 1221 1 3 . 1 1 84 84 GLN H H 99 8.125 8.125 7.945 0.180 17645 1222 1 3 . 1 1 85 85 GLN N N 100 120.009 120.009 116.203 3.806 17645 1223 1 3 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.164 -0.043 17645 1224 1 3 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.882 2.708 17645 1225 1 3 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.355 -0.334 17645 1226 1 3 . 1 1 85 85 GLN H H 100 8.341 8.341 7.868 0.473 17645 1227 1 3 . 1 1 86 86 GLU N N 101 121.718 121.718 118.705 3.013 17645 1228 1 3 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.878 0.257 17645 1229 1 3 . 1 1 86 86 GLU CA C 101 60.430 60.430 58.825 1.605 17645 1230 1 3 . 1 1 86 86 GLU CB C 101 30.140 30.140 28.527 1.613 17645 1231 1 3 . 1 1 86 86 GLU H H 101 8.275 8.275 8.272 0.003 17645 1232 1 3 . 1 1 87 87 GLU N N 102 121.412 121.412 117.497 3.915 17645 1233 1 3 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.004 0.112 17645 1234 1 3 . 1 1 87 87 GLU CA C 102 59.960 59.960 57.321 2.639 17645 1235 1 3 . 1 1 87 87 GLU CB C 102 30.290 30.290 28.740 1.550 17645 1236 1 3 . 1 1 87 87 GLU H H 102 8.330 8.330 8.228 0.102 17645 1237 1 4 . 1 1 2 2 GLY N N 17 110.356 110.356 111.823 -1.467 17645 1238 1 4 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.270 1.340 17645 1239 1 4 . 1 1 2 2 GLY H H 17 8.065 8.065 8.421 -0.356 17645 1240 1 4 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.468 -0.075 17645 1241 1 4 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.841 1.829 17645 1242 1 4 . 1 1 3 3 PRO CB C 18 32.700 32.700 30.512 2.188 17645 1243 1 4 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.078 1.652 17645 1244 1 4 . 1 1 5 5 SER HA H 20 4.192 4.192 4.432 -0.240 17645 1245 1 4 . 1 1 5 5 SER CA C 20 60.960 60.960 59.078 1.881 17645 1246 1 4 . 1 1 5 5 SER CB C 20 64.250 64.250 63.758 0.492 17645 1247 1 4 . 1 1 6 6 LEU N N 21 122.731 122.731 123.857 -1.126 17645 1248 1 4 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.052 0.068 17645 1249 1 4 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.558 -0.838 17645 1250 1 4 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.772 1.198 17645 1251 1 4 . 1 1 6 6 LEU H H 21 8.052 8.052 8.395 -0.343 17645 1252 1 4 . 1 1 7 7 VAL N N 22 119.948 119.948 119.091 0.857 17645 1253 1 4 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.689 0.064 17645 1254 1 4 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.382 -1.032 17645 1255 1 4 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.535 1.065 17645 1256 1 4 . 1 1 7 7 VAL H H 22 7.676 7.676 8.073 -0.397 17645 1257 1 4 . 1 1 8 8 LYS N N 23 122.400 122.400 119.131 3.269 17645 1258 1 4 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.118 0.069 17645 1259 1 4 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.722 -0.892 17645 1260 1 4 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.370 0.190 17645 1261 1 4 . 1 1 8 8 LYS H H 23 7.830 7.830 7.538 0.292 17645 1262 1 4 . 1 1 9 9 VAL N N 24 121.205 121.205 118.725 2.480 17645 1263 1 4 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.652 0.174 17645 1264 1 4 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.303 0.557 17645 1265 1 4 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.450 1.000 17645 1266 1 4 . 1 1 9 9 VAL H H 24 8.194 8.194 7.787 0.407 17645 1267 1 4 . 1 1 10 10 GLY N N 25 107.900 107.900 106.896 1.004 17645 1268 1 4 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.496 0.164 17645 1269 1 4 . 1 1 10 10 GLY H H 25 8.446 8.446 8.536 -0.090 17645 1270 1 4 . 1 1 11 11 THR N N 26 116.800 116.800 119.164 -2.364 17645 1271 1 4 . 1 1 11 11 THR HA H 26 4.109 4.109 3.984 0.125 17645 1272 1 4 . 1 1 11 11 THR CA C 26 66.300 66.300 66.625 -0.325 17645 1273 1 4 . 1 1 11 11 THR CB C 26 69.690 69.690 68.356 1.334 17645 1274 1 4 . 1 1 11 11 THR H H 26 7.992 7.992 7.933 0.059 17645 1275 1 4 . 1 1 12 12 LEU N N 27 123.983 123.983 122.317 1.666 17645 1276 1 4 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.980 0.147 17645 1277 1 4 . 1 1 12 12 LEU CA C 27 58.470 58.470 56.965 1.505 17645 1278 1 4 . 1 1 12 12 LEU CB C 27 42.810 42.810 40.621 2.189 17645 1279 1 4 . 1 1 12 12 LEU H H 27 7.934 7.934 7.936 -0.002 17645 1280 1 4 . 1 1 13 13 LYS N N 28 117.513 117.513 119.509 -1.996 17645 1281 1 4 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.832 0.071 17645 1282 1 4 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.821 0.329 17645 1283 1 4 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.019 0.711 17645 1284 1 4 . 1 1 13 13 LYS H H 28 7.824 7.824 7.792 0.032 17645 1285 1 4 . 1 1 14 14 LYS N N 29 119.275 119.275 119.023 0.252 17645 1286 1 4 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.950 0.201 17645 1287 1 4 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.573 -0.113 17645 1288 1 4 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.181 0.569 17645 1289 1 4 . 1 1 14 14 LYS H H 29 7.685 7.685 7.642 0.043 17645 1290 1 4 . 1 1 15 15 ARG N N 30 119.090 119.090 120.131 -1.041 17645 1291 1 4 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.774 0.286 17645 1292 1 4 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.325 0.705 17645 1293 1 4 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.489 1.021 17645 1294 1 4 . 1 1 15 15 ARG H H 30 7.709 7.709 7.489 0.220 17645 1295 1 4 . 1 1 16 16 LEU N N 31 118.473 118.473 121.259 -2.786 17645 1296 1 4 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.799 0.178 17645 1297 1 4 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.521 -0.441 17645 1298 1 4 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.635 -0.315 17645 1299 1 4 . 1 1 16 16 LEU H H 31 7.595 7.595 8.220 -0.625 17645 1300 1 4 . 1 1 17 17 ASP N N 32 120.020 120.020 118.619 1.401 17645 1301 1 4 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.214 0.225 17645 1302 1 4 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.790 0.190 17645 1303 1 4 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.743 0.137 17645 1304 1 4 . 1 1 17 17 ASP H H 32 7.858 7.858 7.713 0.145 17645 1305 1 4 . 1 1 18 18 LYS N N 33 119.708 119.708 120.381 -0.673 17645 1306 1 4 . 1 1 18 18 LYS HA H 33 4.198 4.198 4.155 0.043 17645 1307 1 4 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.508 -0.037 17645 1308 1 4 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.677 0.513 17645 1309 1 4 . 1 1 18 18 LYS H H 33 7.564 7.564 7.348 0.216 17645 1310 1 4 . 1 1 19 19 PHE N N 34 118.256 118.256 117.518 0.738 17645 1311 1 4 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.209 0.042 17645 1312 1 4 . 1 1 19 19 PHE CA C 34 60.710 60.710 59.935 0.775 17645 1313 1 4 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.800 0.951 17645 1314 1 4 . 1 1 19 19 PHE H H 34 7.884 7.884 7.288 0.596 17645 1315 1 4 . 1 1 20 20 ASN N N 35 117.779 117.779 117.918 -0.139 17645 1316 1 4 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.395 0.065 17645 1317 1 4 . 1 1 20 20 ASN CA C 35 57.350 57.350 57.076 0.274 17645 1318 1 4 . 1 1 20 20 ASN CB C 35 39.000 39.000 37.914 1.086 17645 1319 1 4 . 1 1 20 20 ASN H H 35 8.054 8.054 8.154 -0.100 17645 1320 1 4 . 1 1 21 21 GLU N N 36 120.312 120.312 120.942 -0.630 17645 1321 1 4 . 1 1 21 21 GLU HA H 36 4.106 4.106 3.989 0.117 17645 1322 1 4 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.574 0.196 17645 1323 1 4 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.708 0.802 17645 1324 1 4 . 1 1 21 21 GLU H H 36 7.983 7.983 7.762 0.221 17645 1325 1 4 . 1 1 22 22 VAL N N 37 119.756 119.756 119.431 0.325 17645 1326 1 4 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.686 0.156 17645 1327 1 4 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.645 -0.535 17645 1328 1 4 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.642 1.038 17645 1329 1 4 . 1 1 22 22 VAL H H 37 7.670 7.670 7.714 -0.044 17645 1330 1 4 . 1 1 23 23 VAL N N 38 118.300 118.300 119.656 -1.356 17645 1331 1 4 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.574 0.103 17645 1332 1 4 . 1 1 23 23 VAL CA C 38 66.550 66.550 67.060 -0.510 17645 1333 1 4 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.327 1.153 17645 1334 1 4 . 1 1 23 23 VAL H H 38 8.159 8.159 8.164 -0.005 17645 1335 1 4 . 1 1 24 24 SER N N 39 113.952 113.952 115.929 -1.977 17645 1336 1 4 . 1 1 24 24 SER HA H 39 4.170 4.170 4.119 0.051 17645 1337 1 4 . 1 1 24 24 SER CA C 39 61.880 61.880 61.496 0.384 17645 1338 1 4 . 1 1 24 24 SER CB C 39 63.740 63.740 63.032 0.708 17645 1339 1 4 . 1 1 24 24 SER H H 39 7.773 7.773 8.327 -0.554 17645 1340 1 4 . 1 1 25 25 ALA N N 40 122.572 122.572 123.401 -0.829 17645 1341 1 4 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.179 0.246 17645 1342 1 4 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.391 -1.511 17645 1343 1 4 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.685 1.765 17645 1344 1 4 . 1 1 25 25 ALA H H 40 7.436 7.436 7.777 -0.341 17645 1345 1 4 . 1 1 26 26 LEU N N 41 120.677 120.677 116.625 4.052 17645 1346 1 4 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.139 0.242 17645 1347 1 4 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.719 0.141 17645 1348 1 4 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.514 0.676 17645 1349 1 4 . 1 1 26 26 LEU H H 41 7.499 7.499 7.452 0.047 17645 1350 1 4 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.047 0.238 17645 1351 1 4 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.707 0.543 17645 1352 1 4 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.027 2.843 17645 1353 1 4 . 1 1 28 28 ASP N N 43 120.989 120.989 117.693 3.296 17645 1354 1 4 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.778 0.023 17645 1355 1 4 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.419 1.141 17645 1356 1 4 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.295 0.145 17645 1357 1 4 . 1 1 28 28 ASP H H 43 8.513 8.513 7.800 0.713 17645 1358 1 4 . 1 1 29 29 GLY N N 44 108.379 108.379 111.163 -2.784 17645 1359 1 4 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.922 0.618 17645 1360 1 4 . 1 1 29 29 GLY H H 44 8.425 8.425 8.663 -0.238 17645 1361 1 4 . 1 1 30 30 LYS N N 45 119.932 119.932 119.781 0.151 17645 1362 1 4 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.117 -0.038 17645 1363 1 4 . 1 1 30 30 LYS CA C 45 60.520 60.520 60.094 0.426 17645 1364 1 4 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.149 0.921 17645 1365 1 4 . 1 1 30 30 LYS H H 45 8.269 8.269 8.530 -0.261 17645 1366 1 4 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.277 0.031 17645 1367 1 4 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.093 0.947 17645 1368 1 4 . 1 1 31 31 PRO CB C 46 31.820 31.820 30.992 0.827 17645 1369 1 4 . 1 1 32 32 GLU N N 47 118.526 118.526 119.042 -0.516 17645 1370 1 4 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.076 0.057 17645 1371 1 4 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.112 1.058 17645 1372 1 4 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.893 1.017 17645 1373 1 4 . 1 1 32 32 GLU H H 47 8.189 8.189 8.673 -0.484 17645 1374 1 4 . 1 1 33 33 VAL N N 48 120.183 120.183 120.756 -0.573 17645 1375 1 4 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.594 0.318 17645 1376 1 4 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.519 -0.218 17645 1377 1 4 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.134 1.226 17645 1378 1 4 . 1 1 33 33 VAL H H 48 7.744 7.744 8.051 -0.307 17645 1379 1 4 . 1 1 34 34 ASN N N 49 119.700 119.700 118.313 1.387 17645 1380 1 4 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.413 0.037 17645 1381 1 4 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.362 0.688 17645 1382 1 4 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.926 0.724 17645 1383 1 4 . 1 1 34 34 ASN H H 49 8.582 8.582 8.638 -0.056 17645 1384 1 4 . 1 1 35 35 ARG N N 50 121.009 121.009 120.945 0.064 17645 1385 1 4 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.016 0.121 17645 1386 1 4 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.458 0.312 17645 1387 1 4 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.212 0.558 17645 1388 1 4 . 1 1 35 35 ARG H H 50 7.848 7.848 8.044 -0.196 17645 1389 1 4 . 1 1 36 36 GLN N N 51 119.394 119.394 118.639 0.755 17645 1390 1 4 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.051 0.012 17645 1391 1 4 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.054 0.956 17645 1392 1 4 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.008 0.762 17645 1393 1 4 . 1 1 36 36 GLN H H 51 7.685 7.685 7.705 -0.020 17645 1394 1 4 . 1 1 37 37 ILE N N 52 122.006 122.006 119.490 2.516 17645 1395 1 4 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.688 -0.234 17645 1396 1 4 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.551 0.749 17645 1397 1 4 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.429 1.471 17645 1398 1 4 . 1 1 37 37 ILE H H 52 8.293 8.293 8.869 -0.576 17645 1399 1 4 . 1 1 38 38 LYS N N 53 121.163 121.163 120.692 0.471 17645 1400 1 4 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.000 0.171 17645 1401 1 4 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.590 -0.540 17645 1402 1 4 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.045 -0.115 17645 1403 1 4 . 1 1 38 38 LYS H H 53 8.169 8.169 7.820 0.349 17645 1404 1 4 . 1 1 39 39 ASN N N 54 117.219 117.219 118.493 -1.274 17645 1405 1 4 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.417 0.066 17645 1406 1 4 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.099 0.512 17645 1407 1 4 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.937 0.503 17645 1408 1 4 . 1 1 39 39 ASN H H 54 8.171 8.171 7.850 0.321 17645 1409 1 4 . 1 1 40 40 LEU N N 55 123.907 123.907 120.823 3.084 17645 1410 1 4 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.052 0.153 17645 1411 1 4 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.180 0.660 17645 1412 1 4 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.350 0.720 17645 1413 1 4 . 1 1 40 40 LEU H H 55 7.702 7.702 7.989 -0.287 17645 1414 1 4 . 1 1 41 41 GLU N N 56 121.779 121.779 119.390 2.389 17645 1415 1 4 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.986 -0.284 17645 1416 1 4 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.619 1.831 17645 1417 1 4 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.596 0.734 17645 1418 1 4 . 1 1 41 41 GLU H H 56 8.442 8.442 7.954 0.488 17645 1419 1 4 . 1 1 42 42 ILE N N 57 119.133 119.133 119.750 -0.617 17645 1420 1 4 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.725 0.158 17645 1421 1 4 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.040 0.510 17645 1422 1 4 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.831 1.119 17645 1423 1 4 . 1 1 42 42 ILE H H 57 8.531 8.531 8.473 0.058 17645 1424 1 4 . 1 1 43 43 SER N N 58 118.622 118.622 116.366 2.256 17645 1425 1 4 . 1 1 43 43 SER HA H 58 4.322 4.322 4.060 0.262 17645 1426 1 4 . 1 1 43 43 SER CA C 58 62.940 62.940 62.026 0.914 17645 1427 1 4 . 1 1 43 43 SER CB C 58 63.500 63.500 63.135 0.365 17645 1428 1 4 . 1 1 43 43 SER H H 58 8.027 8.027 7.874 0.153 17645 1429 1 4 . 1 1 44 44 ILE N N 59 126.416 126.416 121.991 4.425 17645 1430 1 4 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.575 0.053 17645 1431 1 4 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.561 1.349 17645 1432 1 4 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.764 1.395 17645 1433 1 4 . 1 1 44 44 ILE H H 59 8.543 8.543 8.411 0.132 17645 1434 1 4 . 1 1 45 45 ASP N N 60 121.563 121.563 119.671 1.892 17645 1435 1 4 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.282 0.125 17645 1436 1 4 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.748 0.532 17645 1437 1 4 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.771 -0.011 17645 1438 1 4 . 1 1 45 45 ASP H H 60 8.406 8.406 8.065 0.341 17645 1439 1 4 . 1 1 46 46 ALA N N 61 123.500 123.500 122.233 1.267 17645 1440 1 4 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.068 0.134 17645 1441 1 4 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.114 0.596 17645 1442 1 4 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.463 0.197 17645 1443 1 4 . 1 1 46 46 ALA H H 61 8.538 8.538 8.001 0.537 17645 1444 1 4 . 1 1 47 47 LEU N N 62 121.942 121.942 119.601 2.341 17645 1445 1 4 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.853 0.441 17645 1446 1 4 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.821 -0.161 17645 1447 1 4 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.793 -0.653 17645 1448 1 4 . 1 1 47 47 LEU H H 62 7.801 7.801 7.713 0.088 17645 1449 1 4 . 1 1 48 48 MET N N 63 118.068 118.068 116.687 1.381 17645 1450 1 4 . 1 1 48 48 MET HA H 63 3.945 3.945 3.931 0.014 17645 1451 1 4 . 1 1 48 48 MET CA C 63 60.330 60.330 58.663 1.667 17645 1452 1 4 . 1 1 48 48 MET CB C 63 33.110 33.110 30.944 2.166 17645 1453 1 4 . 1 1 48 48 MET H H 63 8.261 8.261 7.769 0.492 17645 1454 1 4 . 1 1 49 49 ALA N N 64 120.428 120.428 119.735 0.693 17645 1455 1 4 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.024 0.077 17645 1456 1 4 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.737 1.033 17645 1457 1 4 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.051 0.719 17645 1458 1 4 . 1 1 49 49 ALA H H 64 8.045 8.045 7.938 0.107 17645 1459 1 4 . 1 1 50 50 LYS N N 65 121.947 121.947 118.498 3.449 17645 1460 1 4 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.225 -0.186 17645 1461 1 4 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.835 1.685 17645 1462 1 4 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.695 0.985 17645 1463 1 4 . 1 1 50 50 LYS H H 65 8.063 8.063 7.815 0.248 17645 1464 1 4 . 1 1 51 51 ILE N N 66 121.189 121.189 118.224 2.965 17645 1465 1 4 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.913 -0.163 17645 1466 1 4 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.981 2.759 17645 1467 1 4 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.180 1.940 17645 1468 1 4 . 1 1 51 51 ILE H H 66 8.437 8.437 8.254 0.183 17645 1469 1 4 . 1 1 52 52 LYS N N 67 117.119 117.119 117.938 -0.819 17645 1470 1 4 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.349 -0.213 17645 1471 1 4 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.360 1.850 17645 1472 1 4 . 1 1 52 52 LYS CB C 67 33.680 33.680 32.987 0.693 17645 1473 1 4 . 1 1 52 52 LYS H H 67 7.622 7.622 7.858 -0.236 17645 1474 1 4 . 1 1 53 53 SER N N 68 111.824 111.824 113.797 -1.973 17645 1475 1 4 . 1 1 53 53 SER HA H 68 4.602 4.602 4.578 0.024 17645 1476 1 4 . 1 1 53 53 SER CA C 68 59.960 59.960 58.844 1.115 17645 1477 1 4 . 1 1 53 53 SER CB C 68 65.750 65.750 63.772 1.978 17645 1478 1 4 . 1 1 53 53 SER H H 68 7.750 7.750 7.699 0.051 17645 1479 1 4 . 1 1 54 54 THR N N 69 115.916 115.916 112.302 3.614 17645 1480 1 4 . 1 1 54 54 THR HA H 69 4.596 4.596 4.463 0.133 17645 1481 1 4 . 1 1 54 54 THR CA C 69 62.460 62.460 61.263 1.197 17645 1482 1 4 . 1 1 54 54 THR CB C 69 71.650 71.650 70.183 1.467 17645 1483 1 4 . 1 1 54 54 THR H H 69 7.972 7.972 7.273 0.699 17645 1484 1 4 . 1 1 55 55 MET N N 70 121.343 121.343 121.172 0.171 17645 1485 1 4 . 1 1 55 55 MET HA H 70 4.551 4.551 4.677 -0.126 17645 1486 1 4 . 1 1 55 55 MET CA C 70 56.050 56.050 53.764 2.286 17645 1487 1 4 . 1 1 55 55 MET CB C 70 32.500 32.500 32.481 0.019 17645 1488 1 4 . 1 1 55 55 MET H H 70 8.306 8.306 8.543 -0.237 17645 1489 1 4 . 1 1 56 56 MET N N 71 123.196 123.196 120.033 3.163 17645 1490 1 4 . 1 1 56 56 MET HA H 71 4.706 4.706 4.335 0.371 17645 1491 1 4 . 1 1 56 56 MET CA C 71 55.860 55.860 56.319 -0.459 17645 1492 1 4 . 1 1 56 56 MET CB C 71 37.620 37.620 32.743 4.877 17645 1493 1 4 . 1 1 56 56 MET H H 71 8.114 8.114 7.562 0.552 17645 1494 1 4 . 1 1 57 57 THR N N 72 113.158 113.158 116.920 -3.762 17645 1495 1 4 . 1 1 57 57 THR HA H 72 4.483 4.483 4.552 -0.069 17645 1496 1 4 . 1 1 57 57 THR CA C 72 61.080 61.080 62.106 -1.026 17645 1497 1 4 . 1 1 57 57 THR CB C 72 71.670 71.670 70.034 1.636 17645 1498 1 4 . 1 1 57 57 THR H H 72 8.486 8.486 8.508 -0.022 17645 1499 1 4 . 1 1 58 58 ARG N N 73 121.911 121.911 124.618 -2.707 17645 1500 1 4 . 1 1 58 58 ARG HA H 73 3.909 3.909 4.050 -0.141 17645 1501 1 4 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.076 1.444 17645 1502 1 4 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.454 0.876 17645 1503 1 4 . 1 1 58 58 ARG H H 73 8.961 8.961 8.829 0.132 17645 1504 1 4 . 1 1 59 59 GLU N N 74 118.955 118.955 118.875 0.080 17645 1505 1 4 . 1 1 59 59 GLU HA H 74 4.032 4.032 3.976 0.056 17645 1506 1 4 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.784 1.106 17645 1507 1 4 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.966 0.994 17645 1508 1 4 . 1 1 59 59 GLU H H 74 8.833 8.833 8.734 0.099 17645 1509 1 4 . 1 1 60 60 GLN N N 75 121.077 121.077 118.628 2.449 17645 1510 1 4 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.111 -0.121 17645 1511 1 4 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.939 0.461 17645 1512 1 4 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.343 1.047 17645 1513 1 4 . 1 1 60 60 GLN H H 75 7.801 7.801 7.601 0.200 17645 1514 1 4 . 1 1 61 61 ILE N N 76 120.016 120.016 118.774 1.242 17645 1515 1 4 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.839 -0.410 17645 1516 1 4 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.333 3.527 17645 1517 1 4 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.720 1.990 17645 1518 1 4 . 1 1 61 61 ILE H H 76 8.250 8.250 7.449 0.801 17645 1519 1 4 . 1 1 62 62 GLN N N 77 119.153 119.153 120.239 -1.086 17645 1520 1 4 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.045 -0.278 17645 1521 1 4 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.054 0.716 17645 1522 1 4 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.250 0.830 17645 1523 1 4 . 1 1 62 62 GLN H H 77 8.295 8.295 8.156 0.139 17645 1524 1 4 . 1 1 63 63 LYS N N 78 118.200 118.200 120.265 -2.065 17645 1525 1 4 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.025 0.129 17645 1526 1 4 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.313 0.837 17645 1527 1 4 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.219 1.091 17645 1528 1 4 . 1 1 63 63 LYS H H 78 7.839 7.839 7.833 0.006 17645 1529 1 4 . 1 1 64 64 GLU N N 79 120.133 120.133 119.443 0.690 17645 1530 1 4 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.991 0.151 17645 1531 1 4 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.483 0.848 17645 1532 1 4 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.607 1.003 17645 1533 1 4 . 1 1 64 64 GLU H H 79 7.899 7.899 7.853 0.046 17645 1534 1 4 . 1 1 65 65 TYR N N 80 122.505 122.505 119.696 2.809 17645 1535 1 4 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.225 -0.283 17645 1536 1 4 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.485 1.275 17645 1537 1 4 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.486 0.984 17645 1538 1 4 . 1 1 65 65 TYR H H 80 9.023 9.023 7.967 1.056 17645 1539 1 4 . 1 1 66 66 ASP N N 81 120.497 120.497 119.724 0.773 17645 1540 1 4 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.407 -0.190 17645 1541 1 4 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.087 1.013 17645 1542 1 4 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.744 -0.104 17645 1543 1 4 . 1 1 66 66 ASP H H 81 9.089 9.089 7.881 1.208 17645 1544 1 4 . 1 1 67 67 ALA N N 82 122.397 122.397 122.325 0.072 17645 1545 1 4 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.057 0.130 17645 1546 1 4 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.119 0.711 17645 1547 1 4 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.555 0.365 17645 1548 1 4 . 1 1 67 67 ALA H H 82 7.636 7.636 8.308 -0.672 17645 1549 1 4 . 1 1 68 68 LEU N N 83 121.806 121.806 117.951 3.855 17645 1550 1 4 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.051 0.094 17645 1551 1 4 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.544 0.737 17645 1552 1 4 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.804 1.056 17645 1553 1 4 . 1 1 68 68 LEU H H 83 7.727 7.727 7.650 0.077 17645 1554 1 4 . 1 1 69 69 VAL N N 84 123.560 123.560 120.439 3.121 17645 1555 1 4 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.605 -0.300 17645 1556 1 4 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.795 1.245 17645 1557 1 4 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.421 0.769 17645 1558 1 4 . 1 1 69 69 VAL H H 84 8.560 8.560 7.836 0.724 17645 1559 1 4 . 1 1 70 70 LYS N N 85 121.398 121.398 120.490 0.908 17645 1560 1 4 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.227 -0.135 17645 1561 1 4 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.029 1.221 17645 1562 1 4 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.114 0.646 17645 1563 1 4 . 1 1 70 70 LYS H H 85 7.956 7.956 8.441 -0.485 17645 1564 1 4 . 1 1 71 71 SER N N 86 114.825 114.825 114.654 0.171 17645 1565 1 4 . 1 1 71 71 SER HA H 86 4.298 4.298 4.167 0.131 17645 1566 1 4 . 1 1 71 71 SER CA C 86 62.810 62.810 62.047 0.763 17645 1567 1 4 . 1 1 71 71 SER CB C 86 63.640 63.640 63.168 0.472 17645 1568 1 4 . 1 1 71 71 SER H H 86 8.284 8.284 7.905 0.379 17645 1569 1 4 . 1 1 72 72 SER N N 87 118.845 118.845 117.909 0.936 17645 1570 1 4 . 1 1 72 72 SER HA H 87 4.269 4.269 3.969 0.300 17645 1571 1 4 . 1 1 72 72 SER CA C 87 62.940 62.940 61.912 1.028 17645 1572 1 4 . 1 1 72 72 SER CB C 87 63.870 63.870 63.089 0.781 17645 1573 1 4 . 1 1 72 72 SER H H 87 8.421 8.421 8.211 0.210 17645 1574 1 4 . 1 1 73 73 GLU N N 88 124.809 124.809 120.554 4.255 17645 1575 1 4 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.874 0.178 17645 1576 1 4 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.085 1.145 17645 1577 1 4 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.141 1.089 17645 1578 1 4 . 1 1 73 73 GLU H H 88 8.376 8.376 7.956 0.420 17645 1579 1 4 . 1 1 74 74 ASP N N 89 122.193 122.193 119.851 2.342 17645 1580 1 4 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.400 0.011 17645 1581 1 4 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.510 1.400 17645 1582 1 4 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.995 -0.415 17645 1583 1 4 . 1 1 74 74 ASP H H 89 8.734 8.734 7.766 0.968 17645 1584 1 4 . 1 1 75 75 LEU N N 90 123.280 123.280 121.415 1.865 17645 1585 1 4 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.022 0.268 17645 1586 1 4 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.109 0.451 17645 1587 1 4 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.941 0.089 17645 1588 1 4 . 1 1 75 75 LEU H H 90 7.986 7.986 7.356 0.630 17645 1589 1 4 . 1 1 76 76 LEU N N 91 120.488 120.488 118.384 2.104 17645 1590 1 4 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.875 -0.037 17645 1591 1 4 . 1 1 76 76 LEU CA C 91 59.200 59.200 57.787 1.413 17645 1592 1 4 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.897 0.613 17645 1593 1 4 . 1 1 76 76 LEU H H 91 8.280 8.280 8.098 0.182 17645 1594 1 4 . 1 1 77 77 SER N N 92 113.817 113.817 114.523 -0.706 17645 1595 1 4 . 1 1 77 77 SER HA H 92 4.235 4.235 4.013 0.222 17645 1596 1 4 . 1 1 77 77 SER CA C 92 62.200 62.200 62.094 0.106 17645 1597 1 4 . 1 1 77 77 SER CB C 92 63.440 63.440 62.752 0.688 17645 1598 1 4 . 1 1 77 77 SER H H 92 8.219 8.219 7.821 0.398 17645 1599 1 4 . 1 1 78 78 ALA N N 93 124.902 124.902 123.962 0.940 17645 1600 1 4 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.036 0.130 17645 1601 1 4 . 1 1 78 78 ALA CA C 93 55.860 55.860 55.062 0.798 17645 1602 1 4 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.451 0.309 17645 1603 1 4 . 1 1 78 78 ALA H H 93 7.949 7.949 7.533 0.416 17645 1604 1 4 . 1 1 79 79 LEU N N 94 120.602 120.602 116.208 4.394 17645 1605 1 4 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.985 0.082 17645 1606 1 4 . 1 1 79 79 LEU CA C 94 58.470 58.470 57.637 0.833 17645 1607 1 4 . 1 1 79 79 LEU CB C 94 42.610 42.610 40.918 1.692 17645 1608 1 4 . 1 1 79 79 LEU H H 94 8.587 8.587 7.781 0.806 17645 1609 1 4 . 1 1 80 80 GLN N N 95 119.525 119.525 119.646 -0.121 17645 1610 1 4 . 1 1 80 80 GLN HA H 95 4.048 4.048 4.031 0.017 17645 1611 1 4 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.567 0.023 17645 1612 1 4 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.369 0.471 17645 1613 1 4 . 1 1 80 80 GLN H H 95 8.561 8.561 8.497 0.064 17645 1614 1 4 . 1 1 81 81 LYS N N 96 121.075 121.075 120.419 0.656 17645 1615 1 4 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.944 0.193 17645 1616 1 4 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.809 0.241 17645 1617 1 4 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.270 0.670 17645 1618 1 4 . 1 1 81 81 LYS H H 96 8.003 8.003 7.778 0.225 17645 1619 1 4 . 1 1 82 82 LYS N N 97 121.415 121.415 118.909 2.506 17645 1620 1 4 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.947 0.178 17645 1621 1 4 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.682 0.288 17645 1622 1 4 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.383 0.737 17645 1623 1 4 . 1 1 82 82 LYS H H 97 7.903 7.903 7.889 0.014 17645 1624 1 4 . 1 1 83 83 LYS N N 98 121.081 121.081 116.801 4.280 17645 1625 1 4 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.159 -0.177 17645 1626 1 4 . 1 1 83 83 LYS CA C 98 60.010 60.010 58.429 1.581 17645 1627 1 4 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.583 1.537 17645 1628 1 4 . 1 1 83 83 LYS H H 98 8.202 8.202 7.666 0.536 17645 1629 1 4 . 1 1 84 84 GLN N N 99 119.576 119.576 118.833 0.743 17645 1630 1 4 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.080 0.044 17645 1631 1 4 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.722 1.088 17645 1632 1 4 . 1 1 84 84 GLN CB C 99 28.960 28.960 29.359 -0.399 17645 1633 1 4 . 1 1 84 84 GLN H H 99 8.125 8.125 7.947 0.178 17645 1634 1 4 . 1 1 85 85 GLN N N 100 120.009 120.009 117.941 2.068 17645 1635 1 4 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.205 -0.084 17645 1636 1 4 . 1 1 85 85 GLN CA C 100 59.590 59.590 58.129 1.461 17645 1637 1 4 . 1 1 85 85 GLN CB C 100 29.020 29.020 28.766 0.254 17645 1638 1 4 . 1 1 85 85 GLN H H 100 8.341 8.341 8.395 -0.054 17645 1639 1 4 . 1 1 86 86 GLU N N 101 121.718 121.718 119.718 2.000 17645 1640 1 4 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.386 -0.251 17645 1641 1 4 . 1 1 86 86 GLU CA C 101 60.430 60.430 56.501 3.929 17645 1642 1 4 . 1 1 86 86 GLU CB C 101 30.140 30.140 27.740 2.400 17645 1643 1 4 . 1 1 86 86 GLU H H 101 8.275 8.275 7.818 0.457 17645 1644 1 4 . 1 1 87 87 GLU N N 102 121.412 121.412 116.835 4.577 17645 1645 1 4 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.422 -0.306 17645 1646 1 4 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.833 3.127 17645 1647 1 4 . 1 1 87 87 GLU CB C 102 30.290 30.290 31.633 -1.343 17645 1648 1 4 . 1 1 87 87 GLU H H 102 8.330 8.330 7.895 0.435 17645 1649 1 5 . 1 1 2 2 GLY N N 17 110.356 110.356 109.445 0.911 17645 1650 1 5 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.462 0.148 17645 1651 1 5 . 1 1 2 2 GLY H H 17 8.065 8.065 8.500 -0.435 17645 1652 1 5 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.779 -0.386 17645 1653 1 5 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.633 2.037 17645 1654 1 5 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.915 -0.215 17645 1655 1 5 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.037 1.693 17645 1656 1 5 . 1 1 5 5 SER HA H 20 4.192 4.192 4.539 -0.347 17645 1657 1 5 . 1 1 5 5 SER CA C 20 60.960 60.960 57.827 3.133 17645 1658 1 5 . 1 1 5 5 SER CB C 20 64.250 64.250 63.326 0.924 17645 1659 1 5 . 1 1 6 6 LEU N N 21 122.731 122.731 123.063 -0.332 17645 1660 1 5 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.963 0.157 17645 1661 1 5 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.485 -0.765 17645 1662 1 5 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.546 1.424 17645 1663 1 5 . 1 1 6 6 LEU H H 21 8.052 8.052 8.543 -0.491 17645 1664 1 5 . 1 1 7 7 VAL N N 22 119.948 119.948 118.779 1.169 17645 1665 1 5 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.597 0.156 17645 1666 1 5 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.178 -0.828 17645 1667 1 5 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.014 1.586 17645 1668 1 5 . 1 1 7 7 VAL H H 22 7.676 7.676 8.126 -0.450 17645 1669 1 5 . 1 1 8 8 LYS N N 23 122.400 122.400 119.611 2.789 17645 1670 1 5 . 1 1 8 8 LYS HA H 23 4.187 4.187 3.931 0.256 17645 1671 1 5 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.443 -0.613 17645 1672 1 5 . 1 1 8 8 LYS CB C 23 32.560 32.560 31.717 0.843 17645 1673 1 5 . 1 1 8 8 LYS H H 23 7.830 7.830 7.645 0.185 17645 1674 1 5 . 1 1 9 9 VAL N N 24 121.205 121.205 118.610 2.595 17645 1675 1 5 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.687 0.139 17645 1676 1 5 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.809 0.051 17645 1677 1 5 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.494 0.956 17645 1678 1 5 . 1 1 9 9 VAL H H 24 8.194 8.194 7.599 0.595 17645 1679 1 5 . 1 1 10 10 GLY N N 25 107.900 107.900 106.526 1.374 17645 1680 1 5 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.630 0.030 17645 1681 1 5 . 1 1 10 10 GLY H H 25 8.446 8.446 8.277 0.169 17645 1682 1 5 . 1 1 11 11 THR N N 26 116.800 116.800 119.115 -2.315 17645 1683 1 5 . 1 1 11 11 THR HA H 26 4.109 4.109 3.952 0.157 17645 1684 1 5 . 1 1 11 11 THR CA C 26 66.300 66.300 66.141 0.159 17645 1685 1 5 . 1 1 11 11 THR CB C 26 69.690 69.690 68.272 1.419 17645 1686 1 5 . 1 1 11 11 THR H H 26 7.992 7.992 8.475 -0.483 17645 1687 1 5 . 1 1 12 12 LEU N N 27 123.983 123.983 123.186 0.797 17645 1688 1 5 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.151 -0.024 17645 1689 1 5 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.688 0.782 17645 1690 1 5 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.709 1.101 17645 1691 1 5 . 1 1 12 12 LEU H H 27 7.934 7.934 7.987 -0.053 17645 1692 1 5 . 1 1 13 13 LYS N N 28 117.513 117.513 119.381 -1.868 17645 1693 1 5 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.866 0.037 17645 1694 1 5 . 1 1 13 13 LYS CA C 28 60.150 60.150 60.119 0.031 17645 1695 1 5 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.196 0.534 17645 1696 1 5 . 1 1 13 13 LYS H H 28 7.824 7.824 7.825 -0.001 17645 1697 1 5 . 1 1 14 14 LYS N N 29 119.275 119.275 118.649 0.626 17645 1698 1 5 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.998 0.153 17645 1699 1 5 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.394 0.066 17645 1700 1 5 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.154 0.596 17645 1701 1 5 . 1 1 14 14 LYS H H 29 7.685 7.685 7.675 0.010 17645 1702 1 5 . 1 1 15 15 ARG N N 30 119.090 119.090 120.594 -1.504 17645 1703 1 5 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.806 0.254 17645 1704 1 5 . 1 1 15 15 ARG CA C 30 59.030 59.030 59.032 -0.002 17645 1705 1 5 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.964 0.546 17645 1706 1 5 . 1 1 15 15 ARG H H 30 7.709 7.709 7.561 0.148 17645 1707 1 5 . 1 1 16 16 LEU N N 31 118.473 118.473 121.291 -2.818 17645 1708 1 5 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.163 -0.186 17645 1709 1 5 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.516 -0.436 17645 1710 1 5 . 1 1 16 16 LEU CB C 31 41.320 41.320 42.021 -0.701 17645 1711 1 5 . 1 1 16 16 LEU H H 31 7.595 7.595 8.431 -0.836 17645 1712 1 5 . 1 1 17 17 ASP N N 32 120.020 120.020 118.935 1.085 17645 1713 1 5 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.276 0.163 17645 1714 1 5 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.665 0.315 17645 1715 1 5 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.232 0.648 17645 1716 1 5 . 1 1 17 17 ASP H H 32 7.858 7.858 7.877 -0.019 17645 1717 1 5 . 1 1 18 18 LYS N N 33 119.708 119.708 120.595 -0.887 17645 1718 1 5 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.995 0.203 17645 1719 1 5 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.637 -0.167 17645 1720 1 5 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.690 0.500 17645 1721 1 5 . 1 1 18 18 LYS H H 33 7.564 7.564 7.430 0.134 17645 1722 1 5 . 1 1 19 19 PHE N N 34 118.256 118.256 117.842 0.414 17645 1723 1 5 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.189 0.062 17645 1724 1 5 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.615 0.095 17645 1725 1 5 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.896 0.854 17645 1726 1 5 . 1 1 19 19 PHE H H 34 7.884 7.884 7.579 0.305 17645 1727 1 5 . 1 1 20 20 ASN N N 35 117.779 117.779 117.559 0.220 17645 1728 1 5 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.435 0.025 17645 1729 1 5 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.880 0.470 17645 1730 1 5 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.060 0.940 17645 1731 1 5 . 1 1 20 20 ASN H H 35 8.054 8.054 7.969 0.085 17645 1732 1 5 . 1 1 21 21 GLU N N 36 120.312 120.312 120.794 -0.482 17645 1733 1 5 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.085 0.021 17645 1734 1 5 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.524 0.246 17645 1735 1 5 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.556 0.954 17645 1736 1 5 . 1 1 21 21 GLU H H 36 7.983 7.983 7.751 0.232 17645 1737 1 5 . 1 1 22 22 VAL N N 37 119.756 119.756 119.379 0.377 17645 1738 1 5 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.767 0.075 17645 1739 1 5 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.154 -0.045 17645 1740 1 5 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.188 1.492 17645 1741 1 5 . 1 1 22 22 VAL H H 37 7.670 7.670 7.870 -0.200 17645 1742 1 5 . 1 1 23 23 VAL N N 38 118.300 118.300 119.938 -1.638 17645 1743 1 5 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.718 -0.041 17645 1744 1 5 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.667 0.883 17645 1745 1 5 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.692 1.788 17645 1746 1 5 . 1 1 23 23 VAL H H 38 8.159 8.159 8.441 -0.282 17645 1747 1 5 . 1 1 24 24 SER N N 39 113.952 113.952 116.646 -2.694 17645 1748 1 5 . 1 1 24 24 SER HA H 39 4.170 4.170 4.183 -0.013 17645 1749 1 5 . 1 1 24 24 SER CA C 39 61.880 61.880 61.803 0.077 17645 1750 1 5 . 1 1 24 24 SER CB C 39 63.740 63.740 62.966 0.774 17645 1751 1 5 . 1 1 24 24 SER H H 39 7.773 7.773 8.579 -0.806 17645 1752 1 5 . 1 1 25 25 ALA N N 40 122.572 122.572 122.449 0.123 17645 1753 1 5 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.168 0.257 17645 1754 1 5 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.838 -0.958 17645 1755 1 5 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.074 1.376 17645 1756 1 5 . 1 1 25 25 ALA H H 40 7.436 7.436 7.580 -0.144 17645 1757 1 5 . 1 1 26 26 LEU N N 41 120.677 120.677 115.732 4.945 17645 1758 1 5 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.626 -0.245 17645 1759 1 5 . 1 1 26 26 LEU CA C 41 55.860 55.860 53.142 2.718 17645 1760 1 5 . 1 1 26 26 LEU CB C 41 43.190 43.190 41.981 1.209 17645 1761 1 5 . 1 1 26 26 LEU H H 41 7.499 7.499 7.362 0.137 17645 1762 1 5 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.120 0.165 17645 1763 1 5 . 1 1 27 27 LYS CA C 42 58.250 58.250 56.997 1.253 17645 1764 1 5 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.225 2.645 17645 1765 1 5 . 1 1 28 28 ASP N N 43 120.989 120.989 121.949 -0.960 17645 1766 1 5 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.546 0.255 17645 1767 1 5 . 1 1 28 28 ASP CA C 43 54.560 54.560 54.218 0.342 17645 1768 1 5 . 1 1 28 28 ASP CB C 43 43.440 43.440 42.392 1.048 17645 1769 1 5 . 1 1 28 28 ASP H H 43 8.513 8.513 7.747 0.766 17645 1770 1 5 . 1 1 29 29 GLY N N 44 108.379 108.379 111.612 -3.233 17645 1771 1 5 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.942 0.598 17645 1772 1 5 . 1 1 29 29 GLY H H 44 8.425 8.425 8.678 -0.253 17645 1773 1 5 . 1 1 30 30 LYS N N 45 119.932 119.932 119.876 0.056 17645 1774 1 5 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.133 -0.054 17645 1775 1 5 . 1 1 30 30 LYS CA C 45 60.520 60.520 60.036 0.484 17645 1776 1 5 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.225 0.845 17645 1777 1 5 . 1 1 30 30 LYS H H 45 8.269 8.269 8.567 -0.298 17645 1778 1 5 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.361 -0.053 17645 1779 1 5 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.914 1.126 17645 1780 1 5 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.116 0.704 17645 1781 1 5 . 1 1 32 32 GLU N N 47 118.526 118.526 119.074 -0.548 17645 1782 1 5 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.095 0.038 17645 1783 1 5 . 1 1 32 32 GLU CA C 47 60.170 60.170 58.944 1.226 17645 1784 1 5 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.684 1.226 17645 1785 1 5 . 1 1 32 32 GLU H H 47 8.189 8.189 8.602 -0.413 17645 1786 1 5 . 1 1 33 33 VAL N N 48 120.183 120.183 121.247 -1.064 17645 1787 1 5 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.586 0.326 17645 1788 1 5 . 1 1 33 33 VAL CA C 48 66.300 66.300 65.995 0.305 17645 1789 1 5 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.843 0.517 17645 1790 1 5 . 1 1 33 33 VAL H H 48 7.744 7.744 8.332 -0.588 17645 1791 1 5 . 1 1 34 34 ASN N N 49 119.700 119.700 117.608 2.092 17645 1792 1 5 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.415 0.035 17645 1793 1 5 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.461 0.589 17645 1794 1 5 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.834 0.816 17645 1795 1 5 . 1 1 34 34 ASN H H 49 8.582 8.582 8.461 0.120 17645 1796 1 5 . 1 1 35 35 ARG N N 50 121.009 121.009 120.336 0.673 17645 1797 1 5 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.035 0.102 17645 1798 1 5 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.217 0.553 17645 1799 1 5 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.929 0.841 17645 1800 1 5 . 1 1 35 35 ARG H H 50 7.848 7.848 7.858 -0.010 17645 1801 1 5 . 1 1 36 36 GLN N N 51 119.394 119.394 118.605 0.789 17645 1802 1 5 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.049 0.014 17645 1803 1 5 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.419 0.591 17645 1804 1 5 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.842 0.928 17645 1805 1 5 . 1 1 36 36 GLN H H 51 7.685 7.685 7.652 0.033 17645 1806 1 5 . 1 1 37 37 ILE N N 52 122.006 122.006 119.033 2.973 17645 1807 1 5 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.628 -0.174 17645 1808 1 5 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.171 1.129 17645 1809 1 5 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.105 1.795 17645 1810 1 5 . 1 1 37 37 ILE H H 52 8.293 8.293 8.742 -0.449 17645 1811 1 5 . 1 1 38 38 LYS N N 53 121.163 121.163 120.755 0.408 17645 1812 1 5 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.902 0.269 17645 1813 1 5 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.994 -0.944 17645 1814 1 5 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.142 -0.212 17645 1815 1 5 . 1 1 38 38 LYS H H 53 8.169 8.169 8.367 -0.198 17645 1816 1 5 . 1 1 39 39 ASN N N 54 117.219 117.219 118.090 -0.871 17645 1817 1 5 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.422 0.061 17645 1818 1 5 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.065 0.545 17645 1819 1 5 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.962 0.478 17645 1820 1 5 . 1 1 39 39 ASN H H 54 8.171 8.171 7.894 0.277 17645 1821 1 5 . 1 1 40 40 LEU N N 55 123.907 123.907 121.377 2.530 17645 1822 1 5 . 1 1 40 40 LEU HA H 55 4.205 4.205 3.949 0.256 17645 1823 1 5 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.754 0.086 17645 1824 1 5 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.455 0.615 17645 1825 1 5 . 1 1 40 40 LEU H H 55 7.702 7.702 7.898 -0.196 17645 1826 1 5 . 1 1 41 41 GLU N N 56 121.779 121.779 120.084 1.695 17645 1827 1 5 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.034 -0.332 17645 1828 1 5 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.762 1.688 17645 1829 1 5 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.476 0.854 17645 1830 1 5 . 1 1 41 41 GLU H H 56 8.442 8.442 8.205 0.237 17645 1831 1 5 . 1 1 42 42 ILE N N 57 119.133 119.133 119.996 -0.863 17645 1832 1 5 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.745 0.138 17645 1833 1 5 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.365 0.185 17645 1834 1 5 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.848 1.102 17645 1835 1 5 . 1 1 42 42 ILE H H 57 8.531 8.531 8.398 0.133 17645 1836 1 5 . 1 1 43 43 SER N N 58 118.622 118.622 116.436 2.186 17645 1837 1 5 . 1 1 43 43 SER HA H 58 4.322 4.322 4.145 0.177 17645 1838 1 5 . 1 1 43 43 SER CA C 58 62.940 62.940 62.939 0.001 17645 1839 1 5 . 1 1 43 43 SER CB C 58 63.500 63.500 62.941 0.560 17645 1840 1 5 . 1 1 43 43 SER H H 58 8.027 8.027 7.978 0.049 17645 1841 1 5 . 1 1 44 44 ILE N N 59 126.416 126.416 122.112 4.304 17645 1842 1 5 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.623 0.005 17645 1843 1 5 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.948 0.963 17645 1844 1 5 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.710 1.450 17645 1845 1 5 . 1 1 44 44 ILE H H 59 8.543 8.543 8.683 -0.140 17645 1846 1 5 . 1 1 45 45 ASP N N 60 121.563 121.563 119.646 1.917 17645 1847 1 5 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.320 0.087 17645 1848 1 5 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.509 0.771 17645 1849 1 5 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.271 0.489 17645 1850 1 5 . 1 1 45 45 ASP H H 60 8.406 8.406 7.979 0.427 17645 1851 1 5 . 1 1 46 46 ALA N N 61 123.500 123.500 122.664 0.836 17645 1852 1 5 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.053 0.149 17645 1853 1 5 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.063 0.647 17645 1854 1 5 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.483 0.177 17645 1855 1 5 . 1 1 46 46 ALA H H 61 8.538 8.538 7.971 0.567 17645 1856 1 5 . 1 1 47 47 LEU N N 62 121.942 121.942 120.058 1.884 17645 1857 1 5 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.913 0.381 17645 1858 1 5 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.602 0.058 17645 1859 1 5 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.871 -0.731 17645 1860 1 5 . 1 1 47 47 LEU H H 62 7.801 7.801 7.790 0.011 17645 1861 1 5 . 1 1 48 48 MET N N 63 118.068 118.068 118.560 -0.492 17645 1862 1 5 . 1 1 48 48 MET HA H 63 3.945 3.945 3.867 0.078 17645 1863 1 5 . 1 1 48 48 MET CA C 63 60.330 60.330 59.278 1.052 17645 1864 1 5 . 1 1 48 48 MET CB C 63 33.110 33.110 32.456 0.654 17645 1865 1 5 . 1 1 48 48 MET H H 63 8.261 8.261 7.810 0.451 17645 1866 1 5 . 1 1 49 49 ALA N N 64 120.428 120.428 118.217 2.211 17645 1867 1 5 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.083 0.018 17645 1868 1 5 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.588 1.182 17645 1869 1 5 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.337 0.433 17645 1870 1 5 . 1 1 49 49 ALA H H 64 8.045 8.045 7.789 0.256 17645 1871 1 5 . 1 1 50 50 LYS N N 65 121.947 121.947 116.532 5.415 17645 1872 1 5 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.257 -0.218 17645 1873 1 5 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.398 2.122 17645 1874 1 5 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.914 0.766 17645 1875 1 5 . 1 1 50 50 LYS H H 65 8.063 8.063 7.676 0.387 17645 1876 1 5 . 1 1 51 51 ILE N N 66 121.189 121.189 117.990 3.199 17645 1877 1 5 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.953 -0.203 17645 1878 1 5 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.664 3.076 17645 1879 1 5 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.448 1.672 17645 1880 1 5 . 1 1 51 51 ILE H H 66 8.437 8.437 8.244 0.193 17645 1881 1 5 . 1 1 52 52 LYS N N 67 117.119 117.119 117.982 -0.863 17645 1882 1 5 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.341 -0.205 17645 1883 1 5 . 1 1 52 52 LYS CA C 67 59.210 59.210 56.594 2.615 17645 1884 1 5 . 1 1 52 52 LYS CB C 67 33.680 33.680 32.833 0.847 17645 1885 1 5 . 1 1 52 52 LYS H H 67 7.622 7.622 7.854 -0.232 17645 1886 1 5 . 1 1 53 53 SER N N 68 111.824 111.824 113.255 -1.431 17645 1887 1 5 . 1 1 53 53 SER HA H 68 4.602 4.602 4.646 -0.044 17645 1888 1 5 . 1 1 53 53 SER CA C 68 59.960 59.960 58.708 1.252 17645 1889 1 5 . 1 1 53 53 SER CB C 68 65.750 65.750 64.439 1.311 17645 1890 1 5 . 1 1 53 53 SER H H 68 7.750 7.750 7.503 0.247 17645 1891 1 5 . 1 1 54 54 THR N N 69 115.916 115.916 113.555 2.361 17645 1892 1 5 . 1 1 54 54 THR HA H 69 4.596 4.596 4.528 0.068 17645 1893 1 5 . 1 1 54 54 THR CA C 69 62.460 62.460 61.903 0.557 17645 1894 1 5 . 1 1 54 54 THR CB C 69 71.650 71.650 70.134 1.516 17645 1895 1 5 . 1 1 54 54 THR H H 69 7.972 7.972 7.559 0.413 17645 1896 1 5 . 1 1 55 55 MET N N 70 121.343 121.343 121.919 -0.576 17645 1897 1 5 . 1 1 55 55 MET HA H 70 4.551 4.551 4.598 -0.047 17645 1898 1 5 . 1 1 55 55 MET CA C 70 56.050 56.050 54.728 1.322 17645 1899 1 5 . 1 1 55 55 MET CB C 70 32.500 32.500 32.189 0.311 17645 1900 1 5 . 1 1 55 55 MET H H 70 8.306 8.306 8.705 -0.399 17645 1901 1 5 . 1 1 56 56 MET N N 71 123.196 123.196 120.445 2.751 17645 1902 1 5 . 1 1 56 56 MET HA H 71 4.706 4.706 4.294 0.412 17645 1903 1 5 . 1 1 56 56 MET CA C 71 55.860 55.860 56.373 -0.513 17645 1904 1 5 . 1 1 56 56 MET CB C 71 37.620 37.620 33.248 4.372 17645 1905 1 5 . 1 1 56 56 MET H H 71 8.114 8.114 7.378 0.736 17645 1906 1 5 . 1 1 57 57 THR N N 72 113.158 113.158 119.549 -6.391 17645 1907 1 5 . 1 1 57 57 THR HA H 72 4.483 4.483 4.364 0.119 17645 1908 1 5 . 1 1 57 57 THR CA C 72 61.080 61.080 62.291 -1.212 17645 1909 1 5 . 1 1 57 57 THR CB C 72 71.670 71.670 69.724 1.946 17645 1910 1 5 . 1 1 57 57 THR H H 72 8.486 8.486 8.291 0.195 17645 1911 1 5 . 1 1 58 58 ARG N N 73 121.911 121.911 126.035 -4.124 17645 1912 1 5 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.893 0.016 17645 1913 1 5 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.085 0.435 17645 1914 1 5 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.149 0.181 17645 1915 1 5 . 1 1 58 58 ARG H H 73 8.961 8.961 8.898 0.063 17645 1916 1 5 . 1 1 59 59 GLU N N 74 118.955 118.955 118.592 0.363 17645 1917 1 5 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.052 -0.020 17645 1918 1 5 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.109 0.780 17645 1919 1 5 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.117 0.843 17645 1920 1 5 . 1 1 59 59 GLU H H 74 8.833 8.833 8.683 0.150 17645 1921 1 5 . 1 1 60 60 GLN N N 75 121.077 121.077 118.890 2.187 17645 1922 1 5 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.149 -0.159 17645 1923 1 5 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.529 0.871 17645 1924 1 5 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.239 1.151 17645 1925 1 5 . 1 1 60 60 GLN H H 75 7.801 7.801 7.755 0.046 17645 1926 1 5 . 1 1 61 61 ILE N N 76 120.016 120.016 120.469 -0.453 17645 1927 1 5 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.839 -0.410 17645 1928 1 5 . 1 1 61 61 ILE CA C 76 66.860 66.860 64.100 2.760 17645 1929 1 5 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.720 1.990 17645 1930 1 5 . 1 1 61 61 ILE H H 76 8.250 8.250 7.711 0.539 17645 1931 1 5 . 1 1 62 62 GLN N N 77 119.153 119.153 119.667 -0.514 17645 1932 1 5 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.046 -0.279 17645 1933 1 5 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.163 0.607 17645 1934 1 5 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.412 0.668 17645 1935 1 5 . 1 1 62 62 GLN H H 77 8.295 8.295 8.684 -0.389 17645 1936 1 5 . 1 1 63 63 LYS N N 78 118.200 118.200 120.502 -2.302 17645 1937 1 5 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.058 0.096 17645 1938 1 5 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.821 0.330 17645 1939 1 5 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.371 0.939 17645 1940 1 5 . 1 1 63 63 LYS H H 78 7.839 7.839 7.879 -0.040 17645 1941 1 5 . 1 1 64 64 GLU N N 79 120.133 120.133 119.233 0.900 17645 1942 1 5 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.009 0.133 17645 1943 1 5 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.708 0.623 17645 1944 1 5 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.576 1.034 17645 1945 1 5 . 1 1 64 64 GLU H H 79 7.899 7.899 8.110 -0.211 17645 1946 1 5 . 1 1 65 65 TYR N N 80 122.505 122.505 120.257 2.248 17645 1947 1 5 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.228 -0.286 17645 1948 1 5 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.545 1.215 17645 1949 1 5 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.302 1.168 17645 1950 1 5 . 1 1 65 65 TYR H H 80 9.023 9.023 8.041 0.982 17645 1951 1 5 . 1 1 66 66 ASP N N 81 120.497 120.497 119.237 1.260 17645 1952 1 5 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.220 -0.003 17645 1953 1 5 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.119 0.981 17645 1954 1 5 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.185 0.455 17645 1955 1 5 . 1 1 66 66 ASP H H 81 9.089 9.089 7.570 1.519 17645 1956 1 5 . 1 1 67 67 ALA N N 82 122.397 122.397 122.428 -0.031 17645 1957 1 5 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.096 0.091 17645 1958 1 5 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.050 0.780 17645 1959 1 5 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.431 0.489 17645 1960 1 5 . 1 1 67 67 ALA H H 82 7.636 7.636 8.342 -0.706 17645 1961 1 5 . 1 1 68 68 LEU N N 83 121.806 121.806 118.408 3.398 17645 1962 1 5 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.030 0.115 17645 1963 1 5 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.749 0.530 17645 1964 1 5 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.994 0.866 17645 1965 1 5 . 1 1 68 68 LEU H H 83 7.727 7.727 7.621 0.106 17645 1966 1 5 . 1 1 69 69 VAL N N 84 123.560 123.560 120.271 3.289 17645 1967 1 5 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.547 -0.242 17645 1968 1 5 . 1 1 69 69 VAL CA C 84 68.040 68.040 65.979 2.061 17645 1969 1 5 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.379 1.811 17645 1970 1 5 . 1 1 69 69 VAL H H 84 8.560 8.560 7.656 0.904 17645 1971 1 5 . 1 1 70 70 LYS N N 85 121.398 121.398 120.181 1.217 17645 1972 1 5 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.038 0.054 17645 1973 1 5 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.751 0.499 17645 1974 1 5 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.025 0.735 17645 1975 1 5 . 1 1 70 70 LYS H H 85 7.956 7.956 8.475 -0.519 17645 1976 1 5 . 1 1 71 71 SER N N 86 114.825 114.825 115.007 -0.182 17645 1977 1 5 . 1 1 71 71 SER HA H 86 4.298 4.298 4.234 0.064 17645 1978 1 5 . 1 1 71 71 SER CA C 86 62.810 62.810 61.581 1.230 17645 1979 1 5 . 1 1 71 71 SER CB C 86 63.640 63.640 63.026 0.614 17645 1980 1 5 . 1 1 71 71 SER H H 86 8.284 8.284 7.884 0.400 17645 1981 1 5 . 1 1 72 72 SER N N 87 118.845 118.845 118.076 0.769 17645 1982 1 5 . 1 1 72 72 SER HA H 87 4.269 4.269 3.931 0.338 17645 1983 1 5 . 1 1 72 72 SER CA C 87 62.940 62.940 61.883 1.057 17645 1984 1 5 . 1 1 72 72 SER CB C 87 63.870 63.870 63.144 0.726 17645 1985 1 5 . 1 1 72 72 SER H H 87 8.421 8.421 8.332 0.089 17645 1986 1 5 . 1 1 73 73 GLU N N 88 124.809 124.809 120.060 4.749 17645 1987 1 5 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.878 0.174 17645 1988 1 5 . 1 1 73 73 GLU CA C 88 60.230 60.230 58.989 1.241 17645 1989 1 5 . 1 1 73 73 GLU CB C 88 30.230 30.230 28.947 1.283 17645 1990 1 5 . 1 1 73 73 GLU H H 88 8.376 8.376 7.981 0.395 17645 1991 1 5 . 1 1 74 74 ASP N N 89 122.193 122.193 120.339 1.854 17645 1992 1 5 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.390 0.021 17645 1993 1 5 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.599 1.311 17645 1994 1 5 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.856 -0.276 17645 1995 1 5 . 1 1 74 74 ASP H H 89 8.734 8.734 7.691 1.043 17645 1996 1 5 . 1 1 75 75 LEU N N 90 123.280 123.280 121.283 1.997 17645 1997 1 5 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.998 0.292 17645 1998 1 5 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.618 0.942 17645 1999 1 5 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.865 0.165 17645 2000 1 5 . 1 1 75 75 LEU H H 90 7.986 7.986 7.404 0.582 17645 2001 1 5 . 1 1 76 76 LEU N N 91 120.488 120.488 118.603 1.885 17645 2002 1 5 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.751 0.087 17645 2003 1 5 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.125 1.075 17645 2004 1 5 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.986 0.524 17645 2005 1 5 . 1 1 76 76 LEU H H 91 8.280 8.280 7.678 0.602 17645 2006 1 5 . 1 1 77 77 SER N N 92 113.817 113.817 115.618 -1.801 17645 2007 1 5 . 1 1 77 77 SER HA H 92 4.235 4.235 4.258 -0.023 17645 2008 1 5 . 1 1 77 77 SER CA C 92 62.200 62.200 62.015 0.185 17645 2009 1 5 . 1 1 77 77 SER CB C 92 63.440 63.440 62.672 0.768 17645 2010 1 5 . 1 1 77 77 SER H H 92 8.219 8.219 7.915 0.304 17645 2011 1 5 . 1 1 78 78 ALA N N 93 124.902 124.902 124.030 0.872 17645 2012 1 5 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.074 0.092 17645 2013 1 5 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.831 1.030 17645 2014 1 5 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.314 0.446 17645 2015 1 5 . 1 1 78 78 ALA H H 93 7.949 7.949 7.654 0.295 17645 2016 1 5 . 1 1 79 79 LEU N N 94 120.602 120.602 120.089 0.513 17645 2017 1 5 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.868 0.199 17645 2018 1 5 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.764 -0.294 17645 2019 1 5 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.778 0.832 17645 2020 1 5 . 1 1 79 79 LEU H H 94 8.587 8.587 7.947 0.640 17645 2021 1 5 . 1 1 80 80 GLN N N 95 119.525 119.525 118.014 1.511 17645 2022 1 5 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.898 0.150 17645 2023 1 5 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.599 -0.009 17645 2024 1 5 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.373 0.467 17645 2025 1 5 . 1 1 80 80 GLN H H 95 8.561 8.561 8.345 0.216 17645 2026 1 5 . 1 1 81 81 LYS N N 96 121.075 121.075 119.270 1.805 17645 2027 1 5 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.943 0.194 17645 2028 1 5 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.529 0.521 17645 2029 1 5 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.153 0.787 17645 2030 1 5 . 1 1 81 81 LYS H H 96 8.003 8.003 7.752 0.251 17645 2031 1 5 . 1 1 82 82 LYS N N 97 121.415 121.415 119.604 1.811 17645 2032 1 5 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.987 0.138 17645 2033 1 5 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.915 0.055 17645 2034 1 5 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.266 0.854 17645 2035 1 5 . 1 1 82 82 LYS H H 97 7.903 7.903 7.792 0.111 17645 2036 1 5 . 1 1 83 83 LYS N N 98 121.081 121.081 119.712 1.369 17645 2037 1 5 . 1 1 83 83 LYS HA H 98 3.982 3.982 3.972 0.010 17645 2038 1 5 . 1 1 83 83 LYS CA C 98 60.010 60.010 60.225 -0.215 17645 2039 1 5 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.282 0.838 17645 2040 1 5 . 1 1 83 83 LYS H H 98 8.202 8.202 7.921 0.281 17645 2041 1 5 . 1 1 84 84 GLN N N 99 119.576 119.576 118.708 0.868 17645 2042 1 5 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.060 0.064 17645 2043 1 5 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.586 1.224 17645 2044 1 5 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.281 0.679 17645 2045 1 5 . 1 1 84 84 GLN H H 99 8.125 8.125 8.256 -0.131 17645 2046 1 5 . 1 1 85 85 GLN N N 100 120.009 120.009 118.383 1.626 17645 2047 1 5 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.197 -0.076 17645 2048 1 5 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.292 2.298 17645 2049 1 5 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.071 -0.051 17645 2050 1 5 . 1 1 85 85 GLN H H 100 8.341 8.341 8.002 0.339 17645 2051 1 5 . 1 1 86 86 GLU N N 101 121.718 121.718 119.451 2.267 17645 2052 1 5 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.206 -0.071 17645 2053 1 5 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.486 2.944 17645 2054 1 5 . 1 1 86 86 GLU CB C 101 30.140 30.140 30.523 -0.383 17645 2055 1 5 . 1 1 86 86 GLU H H 101 8.275 8.275 8.102 0.173 17645 2056 1 5 . 1 1 87 87 GLU N N 102 121.412 121.412 117.585 3.827 17645 2057 1 5 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.057 0.059 17645 2058 1 5 . 1 1 87 87 GLU CA C 102 59.960 59.960 57.926 2.034 17645 2059 1 5 . 1 1 87 87 GLU CB C 102 30.290 30.290 28.907 1.383 17645 2060 1 5 . 1 1 87 87 GLU H H 102 8.330 8.330 8.340 -0.010 17645 2061 1 6 . 1 1 2 2 GLY N N 17 110.356 110.356 111.763 -1.407 17645 2062 1 6 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.300 1.310 17645 2063 1 6 . 1 1 2 2 GLY H H 17 8.065 8.065 8.395 -0.330 17645 2064 1 6 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.507 -0.114 17645 2065 1 6 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.781 1.889 17645 2066 1 6 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.223 0.477 17645 2067 1 6 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.574 1.156 17645 2068 1 6 . 1 1 5 5 SER HA H 20 4.192 4.192 4.310 -0.118 17645 2069 1 6 . 1 1 5 5 SER CA C 20 60.960 60.960 58.114 2.846 17645 2070 1 6 . 1 1 5 5 SER CB C 20 64.250 64.250 63.135 1.115 17645 2071 1 6 . 1 1 6 6 LEU N N 21 122.731 122.731 123.669 -0.938 17645 2072 1 6 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.034 0.086 17645 2073 1 6 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.011 -0.291 17645 2074 1 6 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.426 1.544 17645 2075 1 6 . 1 1 6 6 LEU H H 21 8.052 8.052 8.224 -0.172 17645 2076 1 6 . 1 1 7 7 VAL N N 22 119.948 119.948 118.565 1.383 17645 2077 1 6 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.511 0.242 17645 2078 1 6 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.188 -0.838 17645 2079 1 6 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.703 0.896 17645 2080 1 6 . 1 1 7 7 VAL H H 22 7.676 7.676 8.265 -0.589 17645 2081 1 6 . 1 1 8 8 LYS N N 23 122.400 122.400 119.386 3.014 17645 2082 1 6 . 1 1 8 8 LYS HA H 23 4.187 4.187 3.988 0.199 17645 2083 1 6 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.281 -0.451 17645 2084 1 6 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.113 0.447 17645 2085 1 6 . 1 1 8 8 LYS H H 23 7.830 7.830 7.594 0.236 17645 2086 1 6 . 1 1 9 9 VAL N N 24 121.205 121.205 118.926 2.279 17645 2087 1 6 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.788 0.038 17645 2088 1 6 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.705 0.155 17645 2089 1 6 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.047 1.403 17645 2090 1 6 . 1 1 9 9 VAL H H 24 8.194 8.194 7.611 0.583 17645 2091 1 6 . 1 1 10 10 GLY N N 25 107.900 107.900 106.750 1.150 17645 2092 1 6 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.544 0.116 17645 2093 1 6 . 1 1 10 10 GLY H H 25 8.446 8.446 8.379 0.067 17645 2094 1 6 . 1 1 11 11 THR N N 26 116.800 116.800 119.522 -2.722 17645 2095 1 6 . 1 1 11 11 THR HA H 26 4.109 4.109 3.879 0.230 17645 2096 1 6 . 1 1 11 11 THR CA C 26 66.300 66.300 66.630 -0.330 17645 2097 1 6 . 1 1 11 11 THR CB C 26 69.690 69.690 68.682 1.008 17645 2098 1 6 . 1 1 11 11 THR H H 26 7.992 7.992 7.634 0.358 17645 2099 1 6 . 1 1 12 12 LEU N N 27 123.983 123.983 122.824 1.159 17645 2100 1 6 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.102 0.025 17645 2101 1 6 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.782 0.688 17645 2102 1 6 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.704 1.106 17645 2103 1 6 . 1 1 12 12 LEU H H 27 7.934 7.934 7.967 -0.033 17645 2104 1 6 . 1 1 13 13 LYS N N 28 117.513 117.513 119.169 -1.656 17645 2105 1 6 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.837 0.066 17645 2106 1 6 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.736 0.414 17645 2107 1 6 . 1 1 13 13 LYS CB C 28 32.730 32.730 31.997 0.733 17645 2108 1 6 . 1 1 13 13 LYS H H 28 7.824 7.824 7.915 -0.091 17645 2109 1 6 . 1 1 14 14 LYS N N 29 119.275 119.275 118.883 0.392 17645 2110 1 6 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.035 0.116 17645 2111 1 6 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.219 0.241 17645 2112 1 6 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.070 0.680 17645 2113 1 6 . 1 1 14 14 LYS H H 29 7.685 7.685 7.654 0.031 17645 2114 1 6 . 1 1 15 15 ARG N N 30 119.090 119.090 119.897 -0.807 17645 2115 1 6 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.701 0.359 17645 2116 1 6 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.781 0.249 17645 2117 1 6 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.879 0.631 17645 2118 1 6 . 1 1 15 15 ARG H H 30 7.709 7.709 7.562 0.147 17645 2119 1 6 . 1 1 16 16 LEU N N 31 118.473 118.473 121.459 -2.986 17645 2120 1 6 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.863 0.114 17645 2121 1 6 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.990 -0.910 17645 2122 1 6 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.876 -0.556 17645 2123 1 6 . 1 1 16 16 LEU H H 31 7.595 7.595 8.185 -0.590 17645 2124 1 6 . 1 1 17 17 ASP N N 32 120.020 120.020 118.866 1.154 17645 2125 1 6 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.406 0.033 17645 2126 1 6 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.324 0.656 17645 2127 1 6 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.395 0.485 17645 2128 1 6 . 1 1 17 17 ASP H H 32 7.858 7.858 7.742 0.116 17645 2129 1 6 . 1 1 18 18 LYS N N 33 119.708 119.708 120.793 -1.085 17645 2130 1 6 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.956 0.242 17645 2131 1 6 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.717 -0.247 17645 2132 1 6 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.637 0.553 17645 2133 1 6 . 1 1 18 18 LYS H H 33 7.564 7.564 7.381 0.183 17645 2134 1 6 . 1 1 19 19 PHE N N 34 118.256 118.256 117.177 1.079 17645 2135 1 6 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.156 0.095 17645 2136 1 6 . 1 1 19 19 PHE CA C 34 60.710 60.710 59.945 0.765 17645 2137 1 6 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.486 1.264 17645 2138 1 6 . 1 1 19 19 PHE H H 34 7.884 7.884 7.212 0.672 17645 2139 1 6 . 1 1 20 20 ASN N N 35 117.779 117.779 118.685 -0.906 17645 2140 1 6 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.342 0.118 17645 2141 1 6 . 1 1 20 20 ASN CA C 35 57.350 57.350 57.319 0.031 17645 2142 1 6 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.368 0.632 17645 2143 1 6 . 1 1 20 20 ASN H H 35 8.054 8.054 8.153 -0.099 17645 2144 1 6 . 1 1 21 21 GLU N N 36 120.312 120.312 120.205 0.107 17645 2145 1 6 . 1 1 21 21 GLU HA H 36 4.106 4.106 3.998 0.108 17645 2146 1 6 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.727 0.043 17645 2147 1 6 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.706 0.804 17645 2148 1 6 . 1 1 21 21 GLU H H 36 7.983 7.983 7.867 0.116 17645 2149 1 6 . 1 1 22 22 VAL N N 37 119.756 119.756 119.886 -0.130 17645 2150 1 6 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.696 0.146 17645 2151 1 6 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.223 -0.113 17645 2152 1 6 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.653 1.027 17645 2153 1 6 . 1 1 22 22 VAL H H 37 7.670 7.670 7.765 -0.095 17645 2154 1 6 . 1 1 23 23 VAL N N 38 118.300 118.300 119.430 -1.130 17645 2155 1 6 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.679 -0.002 17645 2156 1 6 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.073 1.477 17645 2157 1 6 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.451 2.029 17645 2158 1 6 . 1 1 23 23 VAL H H 38 8.159 8.159 8.406 -0.247 17645 2159 1 6 . 1 1 24 24 SER N N 39 113.952 113.952 116.284 -2.332 17645 2160 1 6 . 1 1 24 24 SER HA H 39 4.170 4.170 4.098 0.072 17645 2161 1 6 . 1 1 24 24 SER CA C 39 61.880 61.880 61.552 0.328 17645 2162 1 6 . 1 1 24 24 SER CB C 39 63.740 63.740 63.211 0.529 17645 2163 1 6 . 1 1 24 24 SER H H 39 7.773 7.773 8.459 -0.686 17645 2164 1 6 . 1 1 25 25 ALA N N 40 122.572 122.572 121.434 1.138 17645 2165 1 6 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.212 0.213 17645 2166 1 6 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.845 -0.965 17645 2167 1 6 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.923 1.527 17645 2168 1 6 . 1 1 25 25 ALA H H 40 7.436 7.436 7.622 -0.186 17645 2169 1 6 . 1 1 26 26 LEU N N 41 120.677 120.677 118.210 2.467 17645 2170 1 6 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.122 0.259 17645 2171 1 6 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.186 -0.326 17645 2172 1 6 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.399 0.791 17645 2173 1 6 . 1 1 26 26 LEU H H 41 7.499 7.499 7.518 -0.019 17645 2174 1 6 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.923 0.362 17645 2175 1 6 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.965 0.285 17645 2176 1 6 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.042 2.828 17645 2177 1 6 . 1 1 28 28 ASP N N 43 120.989 120.989 118.294 2.695 17645 2178 1 6 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.741 0.060 17645 2179 1 6 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.193 1.367 17645 2180 1 6 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.100 0.340 17645 2181 1 6 . 1 1 28 28 ASP H H 43 8.513 8.513 7.762 0.751 17645 2182 1 6 . 1 1 29 29 GLY N N 44 108.379 108.379 110.028 -1.649 17645 2183 1 6 . 1 1 29 29 GLY CA C 44 46.540 46.540 46.111 0.429 17645 2184 1 6 . 1 1 29 29 GLY H H 44 8.425 8.425 8.546 -0.121 17645 2185 1 6 . 1 1 30 30 LYS N N 45 119.932 119.932 120.049 -0.117 17645 2186 1 6 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.095 -0.016 17645 2187 1 6 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.982 0.538 17645 2188 1 6 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.666 0.404 17645 2189 1 6 . 1 1 30 30 LYS H H 45 8.269 8.269 8.529 -0.260 17645 2190 1 6 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.268 0.040 17645 2191 1 6 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.000 1.040 17645 2192 1 6 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.015 0.805 17645 2193 1 6 . 1 1 32 32 GLU N N 47 118.526 118.526 118.404 0.122 17645 2194 1 6 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.097 0.036 17645 2195 1 6 . 1 1 32 32 GLU CA C 47 60.170 60.170 58.911 1.259 17645 2196 1 6 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.743 1.167 17645 2197 1 6 . 1 1 32 32 GLU H H 47 8.189 8.189 8.521 -0.332 17645 2198 1 6 . 1 1 33 33 VAL N N 48 120.183 120.183 121.534 -1.351 17645 2199 1 6 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.586 0.326 17645 2200 1 6 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.379 -0.079 17645 2201 1 6 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.991 0.369 17645 2202 1 6 . 1 1 33 33 VAL H H 48 7.744 7.744 8.150 -0.406 17645 2203 1 6 . 1 1 34 34 ASN N N 49 119.700 119.700 118.005 1.695 17645 2204 1 6 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.368 0.082 17645 2205 1 6 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.434 0.615 17645 2206 1 6 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.844 0.805 17645 2207 1 6 . 1 1 34 34 ASN H H 49 8.582 8.582 8.638 -0.056 17645 2208 1 6 . 1 1 35 35 ARG N N 50 121.009 121.009 119.412 1.597 17645 2209 1 6 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.017 0.120 17645 2210 1 6 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.423 0.347 17645 2211 1 6 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.248 1.522 17645 2212 1 6 . 1 1 35 35 ARG H H 50 7.848 7.848 7.947 -0.099 17645 2213 1 6 . 1 1 36 36 GLN N N 51 119.394 119.394 119.180 0.214 17645 2214 1 6 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.120 -0.057 17645 2215 1 6 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.660 1.351 17645 2216 1 6 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.935 0.835 17645 2217 1 6 . 1 1 36 36 GLN H H 51 7.685 7.685 7.642 0.043 17645 2218 1 6 . 1 1 37 37 ILE N N 52 122.006 122.006 120.097 1.909 17645 2219 1 6 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.639 -0.185 17645 2220 1 6 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.115 1.185 17645 2221 1 6 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.166 1.734 17645 2222 1 6 . 1 1 37 37 ILE H H 52 8.293 8.293 8.703 -0.410 17645 2223 1 6 . 1 1 38 38 LYS N N 53 121.163 121.163 120.615 0.548 17645 2224 1 6 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.913 0.258 17645 2225 1 6 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.158 -1.108 17645 2226 1 6 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.243 -0.313 17645 2227 1 6 . 1 1 38 38 LYS H H 53 8.169 8.169 8.582 -0.413 17645 2228 1 6 . 1 1 39 39 ASN N N 54 117.219 117.219 117.584 -0.365 17645 2229 1 6 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.479 0.004 17645 2230 1 6 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.935 0.675 17645 2231 1 6 . 1 1 39 39 ASN CB C 54 38.440 38.440 38.066 0.374 17645 2232 1 6 . 1 1 39 39 ASN H H 54 8.171 8.171 7.889 0.282 17645 2233 1 6 . 1 1 40 40 LEU N N 55 123.907 123.907 119.986 3.921 17645 2234 1 6 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.145 0.060 17645 2235 1 6 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.092 0.748 17645 2236 1 6 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.791 0.279 17645 2237 1 6 . 1 1 40 40 LEU H H 55 7.702 7.702 7.821 -0.119 17645 2238 1 6 . 1 1 41 41 GLU N N 56 121.779 121.779 120.274 1.505 17645 2239 1 6 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.036 -0.334 17645 2240 1 6 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.336 2.114 17645 2241 1 6 . 1 1 41 41 GLU CB C 56 30.330 30.330 28.860 1.470 17645 2242 1 6 . 1 1 41 41 GLU H H 56 8.442 8.442 8.329 0.113 17645 2243 1 6 . 1 1 42 42 ILE N N 57 119.133 119.133 120.410 -1.277 17645 2244 1 6 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.705 0.178 17645 2245 1 6 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.088 0.462 17645 2246 1 6 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.716 1.234 17645 2247 1 6 . 1 1 42 42 ILE H H 57 8.531 8.531 8.238 0.293 17645 2248 1 6 . 1 1 43 43 SER N N 58 118.622 118.622 117.091 1.531 17645 2249 1 6 . 1 1 43 43 SER HA H 58 4.322 4.322 4.079 0.243 17645 2250 1 6 . 1 1 43 43 SER CA C 58 62.940 62.940 62.068 0.872 17645 2251 1 6 . 1 1 43 43 SER CB C 58 63.500 63.500 62.999 0.501 17645 2252 1 6 . 1 1 43 43 SER H H 58 8.027 8.027 7.810 0.217 17645 2253 1 6 . 1 1 44 44 ILE N N 59 126.416 126.416 122.669 3.747 17645 2254 1 6 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.629 -0.001 17645 2255 1 6 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.724 1.187 17645 2256 1 6 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.810 1.350 17645 2257 1 6 . 1 1 44 44 ILE H H 59 8.543 8.543 8.493 0.050 17645 2258 1 6 . 1 1 45 45 ASP N N 60 121.563 121.563 119.679 1.884 17645 2259 1 6 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.328 0.079 17645 2260 1 6 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.477 0.803 17645 2261 1 6 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.148 0.612 17645 2262 1 6 . 1 1 45 45 ASP H H 60 8.406 8.406 7.914 0.492 17645 2263 1 6 . 1 1 46 46 ALA N N 61 123.500 123.500 122.558 0.942 17645 2264 1 6 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.058 0.144 17645 2265 1 6 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.092 0.618 17645 2266 1 6 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.480 0.180 17645 2267 1 6 . 1 1 46 46 ALA H H 61 8.538 8.538 8.015 0.523 17645 2268 1 6 . 1 1 47 47 LEU N N 62 121.942 121.942 119.550 2.392 17645 2269 1 6 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.869 0.425 17645 2270 1 6 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.711 -0.051 17645 2271 1 6 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.886 -0.747 17645 2272 1 6 . 1 1 47 47 LEU H H 62 7.801 7.801 7.748 0.053 17645 2273 1 6 . 1 1 48 48 MET N N 63 118.068 118.068 118.667 -0.599 17645 2274 1 6 . 1 1 48 48 MET HA H 63 3.945 3.945 3.873 0.072 17645 2275 1 6 . 1 1 48 48 MET CA C 63 60.330 60.330 59.243 1.087 17645 2276 1 6 . 1 1 48 48 MET CB C 63 33.110 33.110 32.460 0.650 17645 2277 1 6 . 1 1 48 48 MET H H 63 8.261 8.261 7.795 0.466 17645 2278 1 6 . 1 1 49 49 ALA N N 64 120.428 120.428 118.177 2.251 17645 2279 1 6 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.085 0.016 17645 2280 1 6 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.529 1.241 17645 2281 1 6 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.353 0.417 17645 2282 1 6 . 1 1 49 49 ALA H H 64 8.045 8.045 7.868 0.177 17645 2283 1 6 . 1 1 50 50 LYS N N 65 121.947 121.947 116.803 5.144 17645 2284 1 6 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.258 -0.219 17645 2285 1 6 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.521 1.999 17645 2286 1 6 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.897 0.783 17645 2287 1 6 . 1 1 50 50 LYS H H 65 8.063 8.063 7.638 0.425 17645 2288 1 6 . 1 1 51 51 ILE N N 66 121.189 121.189 117.868 3.321 17645 2289 1 6 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.955 -0.205 17645 2290 1 6 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.363 3.377 17645 2291 1 6 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.273 1.847 17645 2292 1 6 . 1 1 51 51 ILE H H 66 8.437 8.437 8.308 0.129 17645 2293 1 6 . 1 1 52 52 LYS N N 67 117.119 117.119 118.830 -1.711 17645 2294 1 6 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.381 -0.245 17645 2295 1 6 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.136 2.074 17645 2296 1 6 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.135 0.545 17645 2297 1 6 . 1 1 52 52 LYS H H 67 7.622 7.622 7.795 -0.173 17645 2298 1 6 . 1 1 53 53 SER N N 68 111.824 111.824 114.210 -2.386 17645 2299 1 6 . 1 1 53 53 SER HA H 68 4.602 4.602 4.592 0.010 17645 2300 1 6 . 1 1 53 53 SER CA C 68 59.960 59.960 58.584 1.376 17645 2301 1 6 . 1 1 53 53 SER CB C 68 65.750 65.750 63.856 1.894 17645 2302 1 6 . 1 1 53 53 SER H H 68 7.750 7.750 7.565 0.185 17645 2303 1 6 . 1 1 54 54 THR N N 69 115.916 115.916 113.157 2.759 17645 2304 1 6 . 1 1 54 54 THR HA H 69 4.596 4.596 4.521 0.075 17645 2305 1 6 . 1 1 54 54 THR CA C 69 62.460 62.460 61.358 1.101 17645 2306 1 6 . 1 1 54 54 THR CB C 69 71.650 71.650 70.003 1.647 17645 2307 1 6 . 1 1 54 54 THR H H 69 7.972 7.972 7.313 0.659 17645 2308 1 6 . 1 1 55 55 MET N N 70 121.343 121.343 121.136 0.207 17645 2309 1 6 . 1 1 55 55 MET HA H 70 4.551 4.551 4.719 -0.168 17645 2310 1 6 . 1 1 55 55 MET CA C 70 56.050 56.050 54.248 1.802 17645 2311 1 6 . 1 1 55 55 MET CB C 70 32.500 32.500 32.864 -0.364 17645 2312 1 6 . 1 1 55 55 MET H H 70 8.306 8.306 8.431 -0.125 17645 2313 1 6 . 1 1 56 56 MET N N 71 123.196 123.196 120.640 2.556 17645 2314 1 6 . 1 1 56 56 MET HA H 71 4.706 4.706 4.427 0.279 17645 2315 1 6 . 1 1 56 56 MET CA C 71 55.860 55.860 55.969 -0.109 17645 2316 1 6 . 1 1 56 56 MET CB C 71 37.620 37.620 32.820 4.800 17645 2317 1 6 . 1 1 56 56 MET H H 71 8.114 8.114 7.625 0.489 17645 2318 1 6 . 1 1 57 57 THR N N 72 113.158 113.158 116.744 -3.586 17645 2319 1 6 . 1 1 57 57 THR HA H 72 4.483 4.483 4.487 -0.004 17645 2320 1 6 . 1 1 57 57 THR CA C 72 61.080 61.080 61.443 -0.363 17645 2321 1 6 . 1 1 57 57 THR CB C 72 71.670 71.670 70.084 1.586 17645 2322 1 6 . 1 1 57 57 THR H H 72 8.486 8.486 8.191 0.295 17645 2323 1 6 . 1 1 58 58 ARG N N 73 121.911 121.911 125.214 -3.303 17645 2324 1 6 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.950 -0.041 17645 2325 1 6 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.986 0.534 17645 2326 1 6 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.834 0.496 17645 2327 1 6 . 1 1 58 58 ARG H H 73 8.961 8.961 8.940 0.021 17645 2328 1 6 . 1 1 59 59 GLU N N 74 118.955 118.955 118.554 0.401 17645 2329 1 6 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.021 0.011 17645 2330 1 6 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.531 0.359 17645 2331 1 6 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.884 1.076 17645 2332 1 6 . 1 1 59 59 GLU H H 74 8.833 8.833 8.827 0.006 17645 2333 1 6 . 1 1 60 60 GLN N N 75 121.077 121.077 118.748 2.329 17645 2334 1 6 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.109 -0.119 17645 2335 1 6 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.873 0.527 17645 2336 1 6 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.256 1.134 17645 2337 1 6 . 1 1 60 60 GLN H H 75 7.801 7.801 7.650 0.151 17645 2338 1 6 . 1 1 61 61 ILE N N 76 120.016 120.016 119.578 0.438 17645 2339 1 6 . 1 1 61 61 ILE HA H 76 3.429 3.429 4.103 -0.674 17645 2340 1 6 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.812 4.048 17645 2341 1 6 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.852 1.858 17645 2342 1 6 . 1 1 61 61 ILE H H 76 8.250 8.250 7.504 0.746 17645 2343 1 6 . 1 1 62 62 GLN N N 77 119.153 119.153 120.120 -0.967 17645 2344 1 6 . 1 1 62 62 GLN HA H 77 3.767 3.767 3.997 -0.230 17645 2345 1 6 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.277 0.493 17645 2346 1 6 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.482 0.598 17645 2347 1 6 . 1 1 62 62 GLN H H 77 8.295 8.295 8.111 0.184 17645 2348 1 6 . 1 1 63 63 LYS N N 78 118.200 118.200 120.027 -1.827 17645 2349 1 6 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.343 -0.189 17645 2350 1 6 . 1 1 63 63 LYS CA C 78 60.150 60.150 58.717 1.433 17645 2351 1 6 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.355 0.955 17645 2352 1 6 . 1 1 63 63 LYS H H 78 7.839 7.839 7.853 -0.014 17645 2353 1 6 . 1 1 64 64 GLU N N 79 120.133 120.133 119.305 0.828 17645 2354 1 6 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.005 0.137 17645 2355 1 6 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.378 0.952 17645 2356 1 6 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.453 1.157 17645 2357 1 6 . 1 1 64 64 GLU H H 79 7.899 7.899 8.013 -0.114 17645 2358 1 6 . 1 1 65 65 TYR N N 80 122.505 122.505 119.885 2.620 17645 2359 1 6 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.176 -0.234 17645 2360 1 6 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.461 1.299 17645 2361 1 6 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.553 0.917 17645 2362 1 6 . 1 1 65 65 TYR H H 80 9.023 9.023 8.025 0.998 17645 2363 1 6 . 1 1 66 66 ASP N N 81 120.497 120.497 119.817 0.680 17645 2364 1 6 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.326 -0.109 17645 2365 1 6 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.033 1.067 17645 2366 1 6 . 1 1 66 66 ASP CB C 81 40.640 40.640 39.947 0.693 17645 2367 1 6 . 1 1 66 66 ASP H H 81 9.089 9.089 7.948 1.141 17645 2368 1 6 . 1 1 67 67 ALA N N 82 122.397 122.397 122.663 -0.266 17645 2369 1 6 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.010 0.177 17645 2370 1 6 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.171 0.659 17645 2371 1 6 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.461 0.459 17645 2372 1 6 . 1 1 67 67 ALA H H 82 7.636 7.636 8.245 -0.609 17645 2373 1 6 . 1 1 68 68 LEU N N 83 121.806 121.806 117.986 3.820 17645 2374 1 6 . 1 1 68 68 LEU HA H 83 4.145 4.145 3.989 0.156 17645 2375 1 6 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.433 0.847 17645 2376 1 6 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.812 1.048 17645 2377 1 6 . 1 1 68 68 LEU H H 83 7.727 7.727 7.572 0.155 17645 2378 1 6 . 1 1 69 69 VAL N N 84 123.560 123.560 120.180 3.380 17645 2379 1 6 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.548 -0.243 17645 2380 1 6 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.356 1.684 17645 2381 1 6 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.560 1.630 17645 2382 1 6 . 1 1 69 69 VAL H H 84 8.560 8.560 7.723 0.837 17645 2383 1 6 . 1 1 70 70 LYS N N 85 121.398 121.398 120.738 0.660 17645 2384 1 6 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.182 -0.090 17645 2385 1 6 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.477 0.773 17645 2386 1 6 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.125 0.635 17645 2387 1 6 . 1 1 70 70 LYS H H 85 7.956 7.956 8.371 -0.415 17645 2388 1 6 . 1 1 71 71 SER N N 86 114.825 114.825 114.784 0.041 17645 2389 1 6 . 1 1 71 71 SER HA H 86 4.298 4.298 4.139 0.159 17645 2390 1 6 . 1 1 71 71 SER CA C 86 62.810 62.810 62.027 0.783 17645 2391 1 6 . 1 1 71 71 SER CB C 86 63.640 63.640 63.061 0.579 17645 2392 1 6 . 1 1 71 71 SER H H 86 8.284 8.284 7.850 0.434 17645 2393 1 6 . 1 1 72 72 SER N N 87 118.845 118.845 117.232 1.613 17645 2394 1 6 . 1 1 72 72 SER HA H 87 4.269 4.269 4.009 0.260 17645 2395 1 6 . 1 1 72 72 SER CA C 87 62.940 62.940 61.625 1.315 17645 2396 1 6 . 1 1 72 72 SER CB C 87 63.870 63.870 63.037 0.833 17645 2397 1 6 . 1 1 72 72 SER H H 87 8.421 8.421 8.254 0.167 17645 2398 1 6 . 1 1 73 73 GLU N N 88 124.809 124.809 120.091 4.718 17645 2399 1 6 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.931 0.121 17645 2400 1 6 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.170 1.060 17645 2401 1 6 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.086 1.144 17645 2402 1 6 . 1 1 73 73 GLU H H 88 8.376 8.376 7.969 0.407 17645 2403 1 6 . 1 1 74 74 ASP N N 89 122.193 122.193 120.750 1.443 17645 2404 1 6 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.412 -0.001 17645 2405 1 6 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.351 0.559 17645 2406 1 6 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.668 -0.088 17645 2407 1 6 . 1 1 74 74 ASP H H 89 8.734 8.734 7.817 0.917 17645 2408 1 6 . 1 1 75 75 LEU N N 90 123.280 123.280 121.592 1.688 17645 2409 1 6 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.979 0.311 17645 2410 1 6 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.245 0.315 17645 2411 1 6 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.822 0.208 17645 2412 1 6 . 1 1 75 75 LEU H H 90 7.986 7.986 7.419 0.567 17645 2413 1 6 . 1 1 76 76 LEU N N 91 120.488 120.488 118.693 1.795 17645 2414 1 6 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.720 0.118 17645 2415 1 6 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.301 0.899 17645 2416 1 6 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.991 0.519 17645 2417 1 6 . 1 1 76 76 LEU H H 91 8.280 8.280 7.710 0.570 17645 2418 1 6 . 1 1 77 77 SER N N 92 113.817 113.817 114.663 -0.846 17645 2419 1 6 . 1 1 77 77 SER HA H 92 4.235 4.235 4.061 0.174 17645 2420 1 6 . 1 1 77 77 SER CA C 92 62.200 62.200 62.134 0.066 17645 2421 1 6 . 1 1 77 77 SER CB C 92 63.440 63.440 62.685 0.755 17645 2422 1 6 . 1 1 77 77 SER H H 92 8.219 8.219 7.867 0.352 17645 2423 1 6 . 1 1 78 78 ALA N N 93 124.902 124.902 124.410 0.492 17645 2424 1 6 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.066 0.100 17645 2425 1 6 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.938 0.922 17645 2426 1 6 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.319 0.441 17645 2427 1 6 . 1 1 78 78 ALA H H 93 7.949 7.949 7.740 0.209 17645 2428 1 6 . 1 1 79 79 LEU N N 94 120.602 120.602 119.538 1.064 17645 2429 1 6 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.882 0.185 17645 2430 1 6 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.218 0.252 17645 2431 1 6 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.587 1.024 17645 2432 1 6 . 1 1 79 79 LEU H H 94 8.587 8.587 8.312 0.275 17645 2433 1 6 . 1 1 80 80 GLN N N 95 119.525 119.525 118.452 1.073 17645 2434 1 6 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.919 0.129 17645 2435 1 6 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.558 0.032 17645 2436 1 6 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.288 0.552 17645 2437 1 6 . 1 1 80 80 GLN H H 95 8.561 8.561 8.613 -0.052 17645 2438 1 6 . 1 1 81 81 LYS N N 96 121.075 121.075 118.291 2.784 17645 2439 1 6 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.344 -0.207 17645 2440 1 6 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.090 0.960 17645 2441 1 6 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.182 0.758 17645 2442 1 6 . 1 1 81 81 LYS H H 96 8.003 8.003 7.670 0.333 17645 2443 1 6 . 1 1 82 82 LYS N N 97 121.415 121.415 119.590 1.825 17645 2444 1 6 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.087 0.038 17645 2445 1 6 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.687 0.283 17645 2446 1 6 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.454 0.666 17645 2447 1 6 . 1 1 82 82 LYS H H 97 7.903 7.903 7.770 0.133 17645 2448 1 6 . 1 1 83 83 LYS N N 98 121.081 121.081 118.679 2.402 17645 2449 1 6 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.032 -0.050 17645 2450 1 6 . 1 1 83 83 LYS CA C 98 60.010 60.010 58.987 1.023 17645 2451 1 6 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.855 1.264 17645 2452 1 6 . 1 1 83 83 LYS H H 98 8.202 8.202 8.307 -0.105 17645 2453 1 6 . 1 1 84 84 GLN N N 99 119.576 119.576 119.379 0.197 17645 2454 1 6 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.103 0.021 17645 2455 1 6 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.079 1.731 17645 2456 1 6 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.452 0.508 17645 2457 1 6 . 1 1 84 84 GLN H H 99 8.125 8.125 8.103 0.022 17645 2458 1 6 . 1 1 85 85 GLN N N 100 120.009 120.009 119.704 0.305 17645 2459 1 6 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.145 -0.024 17645 2460 1 6 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.859 2.731 17645 2461 1 6 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.597 -0.577 17645 2462 1 6 . 1 1 85 85 GLN H H 100 8.341 8.341 7.727 0.614 17645 2463 1 6 . 1 1 86 86 GLU N N 101 121.718 121.718 115.708 6.010 17645 2464 1 6 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.926 0.209 17645 2465 1 6 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.298 3.132 17645 2466 1 6 . 1 1 86 86 GLU CB C 101 30.140 30.140 27.542 2.598 17645 2467 1 6 . 1 1 86 86 GLU H H 101 8.275 8.275 7.939 0.336 17645 2468 1 6 . 1 1 87 87 GLU N N 102 121.412 121.412 116.859 4.553 17645 2469 1 6 . 1 1 87 87 GLU HA H 102 4.116 4.116 3.998 0.118 17645 2470 1 6 . 1 1 87 87 GLU CA C 102 59.960 59.960 57.883 2.077 17645 2471 1 6 . 1 1 87 87 GLU CB C 102 30.290 30.290 29.726 0.564 17645 2472 1 6 . 1 1 87 87 GLU H H 102 8.330 8.330 8.397 -0.067 17645 2473 1 7 . 1 1 2 2 GLY N N 17 110.356 110.356 114.545 -4.189 17645 2474 1 7 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.723 0.887 17645 2475 1 7 . 1 1 2 2 GLY H H 17 8.065 8.065 8.594 -0.529 17645 2476 1 7 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.584 -0.191 17645 2477 1 7 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.802 1.868 17645 2478 1 7 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.962 -0.262 17645 2479 1 7 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.374 1.356 17645 2480 1 7 . 1 1 5 5 SER HA H 20 4.192 4.192 4.507 -0.315 17645 2481 1 7 . 1 1 5 5 SER CA C 20 60.960 60.960 59.809 1.151 17645 2482 1 7 . 1 1 5 5 SER CB C 20 64.250 64.250 63.940 0.310 17645 2483 1 7 . 1 1 6 6 LEU N N 21 122.731 122.731 123.620 -0.889 17645 2484 1 7 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.999 0.121 17645 2485 1 7 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.072 -0.352 17645 2486 1 7 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.704 1.266 17645 2487 1 7 . 1 1 6 6 LEU H H 21 8.052 8.052 8.402 -0.350 17645 2488 1 7 . 1 1 7 7 VAL N N 22 119.948 119.948 118.553 1.395 17645 2489 1 7 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.651 0.102 17645 2490 1 7 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.016 -0.666 17645 2491 1 7 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.449 1.151 17645 2492 1 7 . 1 1 7 7 VAL H H 22 7.676 7.676 8.128 -0.452 17645 2493 1 7 . 1 1 8 8 LYS N N 23 122.400 122.400 119.628 2.772 17645 2494 1 7 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.079 0.108 17645 2495 1 7 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.645 -0.815 17645 2496 1 7 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.392 0.168 17645 2497 1 7 . 1 1 8 8 LYS H H 23 7.830 7.830 7.531 0.299 17645 2498 1 7 . 1 1 9 9 VAL N N 24 121.205 121.205 118.535 2.670 17645 2499 1 7 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.702 0.124 17645 2500 1 7 . 1 1 9 9 VAL CA C 24 66.860 66.860 67.005 -0.145 17645 2501 1 7 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.584 0.866 17645 2502 1 7 . 1 1 9 9 VAL H H 24 8.194 8.194 7.748 0.446 17645 2503 1 7 . 1 1 10 10 GLY N N 25 107.900 107.900 106.483 1.417 17645 2504 1 7 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.483 0.177 17645 2505 1 7 . 1 1 10 10 GLY H H 25 8.446 8.446 8.108 0.338 17645 2506 1 7 . 1 1 11 11 THR N N 26 116.800 116.800 119.474 -2.674 17645 2507 1 7 . 1 1 11 11 THR HA H 26 4.109 4.109 3.946 0.163 17645 2508 1 7 . 1 1 11 11 THR CA C 26 66.300 66.300 66.417 -0.117 17645 2509 1 7 . 1 1 11 11 THR CB C 26 69.690 69.690 68.277 1.413 17645 2510 1 7 . 1 1 11 11 THR H H 26 7.992 7.992 8.044 -0.052 17645 2511 1 7 . 1 1 12 12 LEU N N 27 123.983 123.983 122.732 1.251 17645 2512 1 7 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.944 0.183 17645 2513 1 7 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.939 0.531 17645 2514 1 7 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.526 1.284 17645 2515 1 7 . 1 1 12 12 LEU H H 27 7.934 7.934 7.989 -0.055 17645 2516 1 7 . 1 1 13 13 LYS N N 28 117.513 117.513 119.096 -1.583 17645 2517 1 7 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.753 0.150 17645 2518 1 7 . 1 1 13 13 LYS CA C 28 60.150 60.150 60.119 0.031 17645 2519 1 7 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.162 0.568 17645 2520 1 7 . 1 1 13 13 LYS H H 28 7.824 7.824 7.802 0.022 17645 2521 1 7 . 1 1 14 14 LYS N N 29 119.275 119.275 118.877 0.398 17645 2522 1 7 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.989 0.162 17645 2523 1 7 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.561 -0.101 17645 2524 1 7 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.166 0.584 17645 2525 1 7 . 1 1 14 14 LYS H H 29 7.685 7.685 7.630 0.055 17645 2526 1 7 . 1 1 15 15 ARG N N 30 119.090 119.090 119.728 -0.638 17645 2527 1 7 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.712 0.348 17645 2528 1 7 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.817 0.213 17645 2529 1 7 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.888 0.622 17645 2530 1 7 . 1 1 15 15 ARG H H 30 7.709 7.709 7.517 0.192 17645 2531 1 7 . 1 1 16 16 LEU N N 31 118.473 118.473 121.873 -3.400 17645 2532 1 7 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.920 0.057 17645 2533 1 7 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.569 -0.489 17645 2534 1 7 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.994 -0.674 17645 2535 1 7 . 1 1 16 16 LEU H H 31 7.595 7.595 8.133 -0.538 17645 2536 1 7 . 1 1 17 17 ASP N N 32 120.020 120.020 118.690 1.330 17645 2537 1 7 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.206 0.233 17645 2538 1 7 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.910 0.070 17645 2539 1 7 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.453 0.427 17645 2540 1 7 . 1 1 17 17 ASP H H 32 7.858 7.858 7.771 0.087 17645 2541 1 7 . 1 1 18 18 LYS N N 33 119.708 119.708 120.606 -0.898 17645 2542 1 7 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.966 0.232 17645 2543 1 7 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.655 -0.185 17645 2544 1 7 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.751 0.439 17645 2545 1 7 . 1 1 18 18 LYS H H 33 7.564 7.564 7.389 0.175 17645 2546 1 7 . 1 1 19 19 PHE N N 34 118.256 118.256 117.608 0.648 17645 2547 1 7 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.195 0.056 17645 2548 1 7 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.103 0.607 17645 2549 1 7 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.642 1.108 17645 2550 1 7 . 1 1 19 19 PHE H H 34 7.884 7.884 7.342 0.542 17645 2551 1 7 . 1 1 20 20 ASN N N 35 117.779 117.779 118.027 -0.248 17645 2552 1 7 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.369 0.091 17645 2553 1 7 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.704 0.646 17645 2554 1 7 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.018 0.982 17645 2555 1 7 . 1 1 20 20 ASN H H 35 8.054 8.054 8.024 0.030 17645 2556 1 7 . 1 1 21 21 GLU N N 36 120.312 120.312 121.187 -0.875 17645 2557 1 7 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.054 0.052 17645 2558 1 7 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.644 0.126 17645 2559 1 7 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.650 0.860 17645 2560 1 7 . 1 1 21 21 GLU H H 36 7.983 7.983 7.805 0.178 17645 2561 1 7 . 1 1 22 22 VAL N N 37 119.756 119.756 119.458 0.298 17645 2562 1 7 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.661 0.181 17645 2563 1 7 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.243 -0.133 17645 2564 1 7 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.748 0.932 17645 2565 1 7 . 1 1 22 22 VAL H H 37 7.670 7.670 7.727 -0.057 17645 2566 1 7 . 1 1 23 23 VAL N N 38 118.300 118.300 119.181 -0.881 17645 2567 1 7 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.597 0.080 17645 2568 1 7 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.662 -0.112 17645 2569 1 7 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.352 1.127 17645 2570 1 7 . 1 1 23 23 VAL H H 38 8.159 8.159 8.414 -0.255 17645 2571 1 7 . 1 1 24 24 SER N N 39 113.952 113.952 116.096 -2.144 17645 2572 1 7 . 1 1 24 24 SER HA H 39 4.170 4.170 4.223 -0.053 17645 2573 1 7 . 1 1 24 24 SER CA C 39 61.880 61.880 61.355 0.525 17645 2574 1 7 . 1 1 24 24 SER CB C 39 63.740 63.740 63.065 0.675 17645 2575 1 7 . 1 1 24 24 SER H H 39 7.773 7.773 8.351 -0.578 17645 2576 1 7 . 1 1 25 25 ALA N N 40 122.572 122.572 123.863 -1.291 17645 2577 1 7 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.136 0.289 17645 2578 1 7 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.243 -1.363 17645 2579 1 7 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.855 1.595 17645 2580 1 7 . 1 1 25 25 ALA H H 40 7.436 7.436 7.815 -0.379 17645 2581 1 7 . 1 1 26 26 LEU N N 41 120.677 120.677 115.376 5.301 17645 2582 1 7 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.383 -0.002 17645 2583 1 7 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.759 0.101 17645 2584 1 7 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.750 0.440 17645 2585 1 7 . 1 1 26 26 LEU H H 41 7.499 7.499 7.594 -0.095 17645 2586 1 7 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.879 0.406 17645 2587 1 7 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.992 0.258 17645 2588 1 7 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.738 3.132 17645 2589 1 7 . 1 1 28 28 ASP N N 43 120.989 120.989 120.563 0.426 17645 2590 1 7 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.694 0.107 17645 2591 1 7 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.751 0.809 17645 2592 1 7 . 1 1 28 28 ASP CB C 43 43.440 43.440 40.876 2.564 17645 2593 1 7 . 1 1 28 28 ASP H H 43 8.513 8.513 8.090 0.423 17645 2594 1 7 . 1 1 29 29 GLY N N 44 108.379 108.379 113.792 -5.413 17645 2595 1 7 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.023 1.517 17645 2596 1 7 . 1 1 29 29 GLY H H 44 8.425 8.425 8.299 0.126 17645 2597 1 7 . 1 1 30 30 LYS N N 45 119.932 119.932 120.858 -0.926 17645 2598 1 7 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.231 -0.152 17645 2599 1 7 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.503 1.017 17645 2600 1 7 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.583 0.487 17645 2601 1 7 . 1 1 30 30 LYS H H 45 8.269 8.269 8.489 -0.220 17645 2602 1 7 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.296 0.012 17645 2603 1 7 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.144 0.896 17645 2604 1 7 . 1 1 31 31 PRO CB C 46 31.820 31.820 30.945 0.875 17645 2605 1 7 . 1 1 32 32 GLU N N 47 118.526 118.526 118.344 0.182 17645 2606 1 7 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.069 0.064 17645 2607 1 7 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.251 0.919 17645 2608 1 7 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.597 1.313 17645 2609 1 7 . 1 1 32 32 GLU H H 47 8.189 8.189 8.828 -0.639 17645 2610 1 7 . 1 1 33 33 VAL N N 48 120.183 120.183 121.703 -1.520 17645 2611 1 7 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.572 0.340 17645 2612 1 7 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.354 -0.054 17645 2613 1 7 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.556 0.804 17645 2614 1 7 . 1 1 33 33 VAL H H 48 7.744 7.744 7.754 -0.010 17645 2615 1 7 . 1 1 34 34 ASN N N 49 119.700 119.700 117.425 2.275 17645 2616 1 7 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.463 -0.013 17645 2617 1 7 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.038 1.012 17645 2618 1 7 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.923 0.727 17645 2619 1 7 . 1 1 34 34 ASN H H 49 8.582 8.582 8.662 -0.080 17645 2620 1 7 . 1 1 35 35 ARG N N 50 121.009 121.009 121.249 -0.240 17645 2621 1 7 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.052 0.085 17645 2622 1 7 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.404 0.366 17645 2623 1 7 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.199 0.571 17645 2624 1 7 . 1 1 35 35 ARG H H 50 7.848 7.848 8.181 -0.333 17645 2625 1 7 . 1 1 36 36 GLN N N 51 119.394 119.394 119.422 -0.028 17645 2626 1 7 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.117 -0.054 17645 2627 1 7 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.000 1.010 17645 2628 1 7 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.994 0.776 17645 2629 1 7 . 1 1 36 36 GLN H H 51 7.685 7.685 7.739 -0.054 17645 2630 1 7 . 1 1 37 37 ILE N N 52 122.006 122.006 119.237 2.769 17645 2631 1 7 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.694 -0.240 17645 2632 1 7 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.548 0.752 17645 2633 1 7 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.644 1.256 17645 2634 1 7 . 1 1 37 37 ILE H H 52 8.293 8.293 8.818 -0.525 17645 2635 1 7 . 1 1 38 38 LYS N N 53 121.163 121.163 120.523 0.640 17645 2636 1 7 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.998 0.173 17645 2637 1 7 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.626 -0.576 17645 2638 1 7 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.174 -0.244 17645 2639 1 7 . 1 1 38 38 LYS H H 53 8.169 8.169 7.865 0.304 17645 2640 1 7 . 1 1 39 39 ASN N N 54 117.219 117.219 118.274 -1.055 17645 2641 1 7 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.408 0.075 17645 2642 1 7 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.060 0.550 17645 2643 1 7 . 1 1 39 39 ASN CB C 54 38.440 38.440 38.070 0.370 17645 2644 1 7 . 1 1 39 39 ASN H H 54 8.171 8.171 7.877 0.294 17645 2645 1 7 . 1 1 40 40 LEU N N 55 123.907 123.907 120.933 2.974 17645 2646 1 7 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.186 0.019 17645 2647 1 7 . 1 1 40 40 LEU CA C 55 58.840 58.840 57.904 0.936 17645 2648 1 7 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.804 0.266 17645 2649 1 7 . 1 1 40 40 LEU H H 55 7.702 7.702 7.942 -0.240 17645 2650 1 7 . 1 1 41 41 GLU N N 56 121.779 121.779 119.615 2.164 17645 2651 1 7 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.958 -0.256 17645 2652 1 7 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.633 1.817 17645 2653 1 7 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.672 0.658 17645 2654 1 7 . 1 1 41 41 GLU H H 56 8.442 8.442 7.895 0.547 17645 2655 1 7 . 1 1 42 42 ILE N N 57 119.133 119.133 119.444 -0.311 17645 2656 1 7 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.795 0.088 17645 2657 1 7 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.157 0.393 17645 2658 1 7 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.905 1.045 17645 2659 1 7 . 1 1 42 42 ILE H H 57 8.531 8.531 8.657 -0.126 17645 2660 1 7 . 1 1 43 43 SER N N 58 118.622 118.622 116.622 2.000 17645 2661 1 7 . 1 1 43 43 SER HA H 58 4.322 4.322 4.119 0.203 17645 2662 1 7 . 1 1 43 43 SER CA C 58 62.940 62.940 62.143 0.797 17645 2663 1 7 . 1 1 43 43 SER CB C 58 63.500 63.500 62.622 0.878 17645 2664 1 7 . 1 1 43 43 SER H H 58 8.027 8.027 7.657 0.370 17645 2665 1 7 . 1 1 44 44 ILE N N 59 126.416 126.416 122.423 3.993 17645 2666 1 7 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.622 0.006 17645 2667 1 7 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.719 1.191 17645 2668 1 7 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.669 1.491 17645 2669 1 7 . 1 1 44 44 ILE H H 59 8.543 8.543 8.208 0.335 17645 2670 1 7 . 1 1 45 45 ASP N N 60 121.563 121.563 119.504 2.059 17645 2671 1 7 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.289 0.118 17645 2672 1 7 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.502 0.778 17645 2673 1 7 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.205 0.555 17645 2674 1 7 . 1 1 45 45 ASP H H 60 8.406 8.406 7.871 0.535 17645 2675 1 7 . 1 1 46 46 ALA N N 61 123.500 123.500 122.575 0.925 17645 2676 1 7 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.079 0.123 17645 2677 1 7 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.012 0.698 17645 2678 1 7 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.502 0.158 17645 2679 1 7 . 1 1 46 46 ALA H H 61 8.538 8.538 7.871 0.667 17645 2680 1 7 . 1 1 47 47 LEU N N 62 121.942 121.942 119.861 2.081 17645 2681 1 7 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.895 0.399 17645 2682 1 7 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.677 -0.017 17645 2683 1 7 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.886 -0.746 17645 2684 1 7 . 1 1 47 47 LEU H H 62 7.801 7.801 7.720 0.081 17645 2685 1 7 . 1 1 48 48 MET N N 63 118.068 118.068 116.511 1.557 17645 2686 1 7 . 1 1 48 48 MET HA H 63 3.945 3.945 3.872 0.073 17645 2687 1 7 . 1 1 48 48 MET CA C 63 60.330 60.330 58.813 1.517 17645 2688 1 7 . 1 1 48 48 MET CB C 63 33.110 33.110 31.123 1.987 17645 2689 1 7 . 1 1 48 48 MET H H 63 8.261 8.261 7.767 0.494 17645 2690 1 7 . 1 1 49 49 ALA N N 64 120.428 120.428 120.800 -0.372 17645 2691 1 7 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.067 0.033 17645 2692 1 7 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.830 0.940 17645 2693 1 7 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.063 0.707 17645 2694 1 7 . 1 1 49 49 ALA H H 64 8.045 8.045 8.031 0.014 17645 2695 1 7 . 1 1 50 50 LYS N N 65 121.947 121.947 118.283 3.664 17645 2696 1 7 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.307 -0.268 17645 2697 1 7 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.798 1.722 17645 2698 1 7 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.807 0.873 17645 2699 1 7 . 1 1 50 50 LYS H H 65 8.063 8.063 7.878 0.185 17645 2700 1 7 . 1 1 51 51 ILE N N 66 121.189 121.189 118.471 2.718 17645 2701 1 7 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.932 -0.182 17645 2702 1 7 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.943 2.797 17645 2703 1 7 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.235 1.885 17645 2704 1 7 . 1 1 51 51 ILE H H 66 8.437 8.437 8.251 0.186 17645 2705 1 7 . 1 1 52 52 LYS N N 67 117.119 117.119 117.255 -0.136 17645 2706 1 7 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.333 -0.197 17645 2707 1 7 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.608 1.603 17645 2708 1 7 . 1 1 52 52 LYS CB C 67 33.680 33.680 32.970 0.710 17645 2709 1 7 . 1 1 52 52 LYS H H 67 7.622 7.622 7.805 -0.183 17645 2710 1 7 . 1 1 53 53 SER N N 68 111.824 111.824 114.837 -3.013 17645 2711 1 7 . 1 1 53 53 SER HA H 68 4.602 4.602 4.584 0.018 17645 2712 1 7 . 1 1 53 53 SER CA C 68 59.960 59.960 58.416 1.544 17645 2713 1 7 . 1 1 53 53 SER CB C 68 65.750 65.750 62.909 2.841 17645 2714 1 7 . 1 1 53 53 SER H H 68 7.750 7.750 7.831 -0.081 17645 2715 1 7 . 1 1 54 54 THR N N 69 115.916 115.916 112.135 3.781 17645 2716 1 7 . 1 1 54 54 THR HA H 69 4.596 4.596 4.327 0.269 17645 2717 1 7 . 1 1 54 54 THR CA C 69 62.460 62.460 62.075 0.385 17645 2718 1 7 . 1 1 54 54 THR CB C 69 71.650 71.650 69.652 1.998 17645 2719 1 7 . 1 1 54 54 THR H H 69 7.972 7.972 7.094 0.878 17645 2720 1 7 . 1 1 55 55 MET N N 70 121.343 121.343 122.488 -1.145 17645 2721 1 7 . 1 1 55 55 MET HA H 70 4.551 4.551 4.719 -0.168 17645 2722 1 7 . 1 1 55 55 MET CA C 70 56.050 56.050 54.444 1.606 17645 2723 1 7 . 1 1 55 55 MET CB C 70 32.500 32.500 31.335 1.165 17645 2724 1 7 . 1 1 55 55 MET H H 70 8.306 8.306 8.542 -0.236 17645 2725 1 7 . 1 1 56 56 MET N N 71 123.196 123.196 120.081 3.115 17645 2726 1 7 . 1 1 56 56 MET HA H 71 4.706 4.706 4.621 0.085 17645 2727 1 7 . 1 1 56 56 MET CA C 71 55.860 55.860 55.519 0.341 17645 2728 1 7 . 1 1 56 56 MET CB C 71 37.620 37.620 33.228 4.392 17645 2729 1 7 . 1 1 56 56 MET H H 71 8.114 8.114 7.766 0.348 17645 2730 1 7 . 1 1 57 57 THR N N 72 113.158 113.158 115.204 -2.046 17645 2731 1 7 . 1 1 57 57 THR HA H 72 4.483 4.483 4.641 -0.158 17645 2732 1 7 . 1 1 57 57 THR CA C 72 61.080 61.080 61.810 -0.730 17645 2733 1 7 . 1 1 57 57 THR CB C 72 71.670 71.670 70.463 1.207 17645 2734 1 7 . 1 1 57 57 THR H H 72 8.486 8.486 8.475 0.011 17645 2735 1 7 . 1 1 58 58 ARG N N 73 121.911 121.911 125.665 -3.754 17645 2736 1 7 . 1 1 58 58 ARG HA H 73 3.909 3.909 4.006 -0.097 17645 2737 1 7 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.247 1.273 17645 2738 1 7 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.700 0.630 17645 2739 1 7 . 1 1 58 58 ARG H H 73 8.961 8.961 8.858 0.103 17645 2740 1 7 . 1 1 59 59 GLU N N 74 118.955 118.955 119.207 -0.252 17645 2741 1 7 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.000 0.032 17645 2742 1 7 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.703 1.187 17645 2743 1 7 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.051 0.909 17645 2744 1 7 . 1 1 59 59 GLU H H 74 8.833 8.833 8.712 0.121 17645 2745 1 7 . 1 1 60 60 GLN N N 75 121.077 121.077 118.383 2.694 17645 2746 1 7 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.112 -0.122 17645 2747 1 7 . 1 1 60 60 GLN CA C 75 59.400 59.400 59.126 0.274 17645 2748 1 7 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.263 1.127 17645 2749 1 7 . 1 1 60 60 GLN H H 75 7.801 7.801 7.686 0.115 17645 2750 1 7 . 1 1 61 61 ILE N N 76 120.016 120.016 118.128 1.888 17645 2751 1 7 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.867 -0.438 17645 2752 1 7 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.910 2.950 17645 2753 1 7 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.857 1.853 17645 2754 1 7 . 1 1 61 61 ILE H H 76 8.250 8.250 7.249 1.001 17645 2755 1 7 . 1 1 62 62 GLN N N 77 119.153 119.153 119.905 -0.752 17645 2756 1 7 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.046 -0.279 17645 2757 1 7 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.098 0.672 17645 2758 1 7 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.393 0.687 17645 2759 1 7 . 1 1 62 62 GLN H H 77 8.295 8.295 7.969 0.326 17645 2760 1 7 . 1 1 63 63 LYS N N 78 118.200 118.200 120.290 -2.090 17645 2761 1 7 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.028 0.126 17645 2762 1 7 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.750 0.400 17645 2763 1 7 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.368 0.942 17645 2764 1 7 . 1 1 63 63 LYS H H 78 7.839 7.839 7.956 -0.117 17645 2765 1 7 . 1 1 64 64 GLU N N 79 120.133 120.133 119.309 0.824 17645 2766 1 7 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.993 0.149 17645 2767 1 7 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.681 0.649 17645 2768 1 7 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.611 0.999 17645 2769 1 7 . 1 1 64 64 GLU H H 79 7.899 7.899 8.187 -0.288 17645 2770 1 7 . 1 1 65 65 TYR N N 80 122.505 122.505 119.951 2.554 17645 2771 1 7 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.224 -0.282 17645 2772 1 7 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.877 0.882 17645 2773 1 7 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.437 1.033 17645 2774 1 7 . 1 1 65 65 TYR H H 80 9.023 9.023 7.919 1.104 17645 2775 1 7 . 1 1 66 66 ASP N N 81 120.497 120.497 119.111 1.386 17645 2776 1 7 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.470 -0.253 17645 2777 1 7 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.340 0.759 17645 2778 1 7 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.460 0.180 17645 2779 1 7 . 1 1 66 66 ASP H H 81 9.089 9.089 7.647 1.442 17645 2780 1 7 . 1 1 67 67 ALA N N 82 122.397 122.397 122.620 -0.223 17645 2781 1 7 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.010 0.177 17645 2782 1 7 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.375 0.455 17645 2783 1 7 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.605 0.316 17645 2784 1 7 . 1 1 67 67 ALA H H 82 7.636 7.636 8.334 -0.698 17645 2785 1 7 . 1 1 68 68 LEU N N 83 121.806 121.806 117.737 4.069 17645 2786 1 7 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.010 0.135 17645 2787 1 7 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.632 0.648 17645 2788 1 7 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.697 1.163 17645 2789 1 7 . 1 1 68 68 LEU H H 83 7.727 7.727 7.643 0.084 17645 2790 1 7 . 1 1 69 69 VAL N N 84 123.560 123.560 120.634 2.926 17645 2791 1 7 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.646 -0.341 17645 2792 1 7 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.487 1.553 17645 2793 1 7 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.062 1.128 17645 2794 1 7 . 1 1 69 69 VAL H H 84 8.560 8.560 7.725 0.835 17645 2795 1 7 . 1 1 70 70 LYS N N 85 121.398 121.398 120.694 0.704 17645 2796 1 7 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.003 0.089 17645 2797 1 7 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.851 0.399 17645 2798 1 7 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.132 0.628 17645 2799 1 7 . 1 1 70 70 LYS H H 85 7.956 7.956 8.624 -0.668 17645 2800 1 7 . 1 1 71 71 SER N N 86 114.825 114.825 114.921 -0.096 17645 2801 1 7 . 1 1 71 71 SER HA H 86 4.298 4.298 4.196 0.102 17645 2802 1 7 . 1 1 71 71 SER CA C 86 62.810 62.810 61.972 0.838 17645 2803 1 7 . 1 1 71 71 SER CB C 86 63.640 63.640 62.951 0.689 17645 2804 1 7 . 1 1 71 71 SER H H 86 8.284 8.284 7.890 0.394 17645 2805 1 7 . 1 1 72 72 SER N N 87 118.845 118.845 118.418 0.427 17645 2806 1 7 . 1 1 72 72 SER HA H 87 4.269 4.269 3.946 0.323 17645 2807 1 7 . 1 1 72 72 SER CA C 87 62.940 62.940 62.230 0.710 17645 2808 1 7 . 1 1 72 72 SER CB C 87 63.870 63.870 62.913 0.957 17645 2809 1 7 . 1 1 72 72 SER H H 87 8.421 8.421 8.366 0.055 17645 2810 1 7 . 1 1 73 73 GLU N N 88 124.809 124.809 120.910 3.899 17645 2811 1 7 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.819 0.233 17645 2812 1 7 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.688 0.541 17645 2813 1 7 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.607 0.623 17645 2814 1 7 . 1 1 73 73 GLU H H 88 8.376 8.376 8.221 0.155 17645 2815 1 7 . 1 1 74 74 ASP N N 89 122.193 122.193 119.432 2.761 17645 2816 1 7 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.401 0.010 17645 2817 1 7 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.485 0.425 17645 2818 1 7 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.751 -0.171 17645 2819 1 7 . 1 1 74 74 ASP H H 89 8.734 8.734 7.823 0.911 17645 2820 1 7 . 1 1 75 75 LEU N N 90 123.280 123.280 121.627 1.653 17645 2821 1 7 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.994 0.296 17645 2822 1 7 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.830 0.730 17645 2823 1 7 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.976 0.054 17645 2824 1 7 . 1 1 75 75 LEU H H 90 7.986 7.986 7.059 0.927 17645 2825 1 7 . 1 1 76 76 LEU N N 91 120.488 120.488 119.160 1.328 17645 2826 1 7 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.821 0.017 17645 2827 1 7 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.097 1.103 17645 2828 1 7 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.959 0.550 17645 2829 1 7 . 1 1 76 76 LEU H H 91 8.280 8.280 8.030 0.250 17645 2830 1 7 . 1 1 77 77 SER N N 92 113.817 113.817 114.747 -0.930 17645 2831 1 7 . 1 1 77 77 SER HA H 92 4.235 4.235 4.072 0.163 17645 2832 1 7 . 1 1 77 77 SER CA C 92 62.200 62.200 62.279 -0.079 17645 2833 1 7 . 1 1 77 77 SER CB C 92 63.440 63.440 62.605 0.835 17645 2834 1 7 . 1 1 77 77 SER H H 92 8.219 8.219 7.958 0.261 17645 2835 1 7 . 1 1 78 78 ALA N N 93 124.902 124.902 124.116 0.786 17645 2836 1 7 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.152 0.014 17645 2837 1 7 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.784 1.076 17645 2838 1 7 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.315 0.445 17645 2839 1 7 . 1 1 78 78 ALA H H 93 7.949 7.949 7.752 0.197 17645 2840 1 7 . 1 1 79 79 LEU N N 94 120.602 120.602 119.714 0.888 17645 2841 1 7 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.881 0.186 17645 2842 1 7 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.242 0.228 17645 2843 1 7 . 1 1 79 79 LEU CB C 94 42.610 42.610 42.041 0.569 17645 2844 1 7 . 1 1 79 79 LEU H H 94 8.587 8.587 8.226 0.361 17645 2845 1 7 . 1 1 80 80 GLN N N 95 119.525 119.525 118.880 0.645 17645 2846 1 7 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.947 0.101 17645 2847 1 7 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.284 0.306 17645 2848 1 7 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.242 0.598 17645 2849 1 7 . 1 1 80 80 GLN H H 95 8.561 8.561 8.442 0.119 17645 2850 1 7 . 1 1 81 81 LYS N N 96 121.075 121.075 118.691 2.384 17645 2851 1 7 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.987 0.150 17645 2852 1 7 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.191 0.859 17645 2853 1 7 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.186 0.754 17645 2854 1 7 . 1 1 81 81 LYS H H 96 8.003 8.003 7.808 0.195 17645 2855 1 7 . 1 1 82 82 LYS N N 97 121.415 121.415 120.210 1.205 17645 2856 1 7 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.016 0.109 17645 2857 1 7 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.417 0.553 17645 2858 1 7 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.283 0.837 17645 2859 1 7 . 1 1 82 82 LYS H H 97 7.903 7.903 7.808 0.095 17645 2860 1 7 . 1 1 83 83 LYS N N 98 121.081 121.081 117.938 3.143 17645 2861 1 7 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.097 -0.115 17645 2862 1 7 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.255 0.754 17645 2863 1 7 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.587 0.533 17645 2864 1 7 . 1 1 83 83 LYS H H 98 8.202 8.202 7.750 0.452 17645 2865 1 7 . 1 1 84 84 GLN N N 99 119.576 119.576 116.187 3.389 17645 2866 1 7 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.077 0.047 17645 2867 1 7 . 1 1 84 84 GLN CA C 99 59.810 59.810 57.770 2.040 17645 2868 1 7 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.190 0.770 17645 2869 1 7 . 1 1 84 84 GLN H H 99 8.125 8.125 7.730 0.395 17645 2870 1 7 . 1 1 85 85 GLN N N 100 120.009 120.009 117.893 2.116 17645 2871 1 7 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.200 -0.079 17645 2872 1 7 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.337 2.253 17645 2873 1 7 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.365 -0.345 17645 2874 1 7 . 1 1 85 85 GLN H H 100 8.341 8.341 7.702 0.639 17645 2875 1 7 . 1 1 86 86 GLU N N 101 121.718 121.718 116.370 5.348 17645 2876 1 7 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.911 0.224 17645 2877 1 7 . 1 1 86 86 GLU CA C 101 60.430 60.430 59.187 1.243 17645 2878 1 7 . 1 1 86 86 GLU CB C 101 30.140 30.140 28.855 1.285 17645 2879 1 7 . 1 1 86 86 GLU H H 101 8.275 8.275 8.193 0.082 17645 2880 1 7 . 1 1 87 87 GLU N N 102 121.412 121.412 118.966 2.446 17645 2881 1 7 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.500 -0.384 17645 2882 1 7 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.206 3.754 17645 2883 1 7 . 1 1 87 87 GLU CB C 102 30.290 30.290 31.122 -0.832 17645 2884 1 7 . 1 1 87 87 GLU H H 102 8.330 8.330 7.984 0.346 17645 2885 1 8 . 1 1 2 2 GLY N N 17 110.356 110.356 111.789 -1.433 17645 2886 1 8 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.081 0.528 17645 2887 1 8 . 1 1 2 2 GLY H H 17 8.065 8.065 8.231 -0.166 17645 2888 1 8 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.602 -0.209 17645 2889 1 8 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.907 1.763 17645 2890 1 8 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.820 -0.120 17645 2891 1 8 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.365 1.365 17645 2892 1 8 . 1 1 5 5 SER HA H 20 4.192 4.192 4.492 -0.300 17645 2893 1 8 . 1 1 5 5 SER CA C 20 60.960 60.960 58.349 2.611 17645 2894 1 8 . 1 1 5 5 SER CB C 20 64.250 64.250 63.375 0.875 17645 2895 1 8 . 1 1 6 6 LEU N N 21 122.731 122.731 123.356 -0.625 17645 2896 1 8 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.999 0.121 17645 2897 1 8 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.267 -0.547 17645 2898 1 8 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.858 1.112 17645 2899 1 8 . 1 1 6 6 LEU H H 21 8.052 8.052 8.411 -0.359 17645 2900 1 8 . 1 1 7 7 VAL N N 22 119.948 119.948 119.118 0.830 17645 2901 1 8 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.585 0.168 17645 2902 1 8 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.620 -1.270 17645 2903 1 8 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.638 0.962 17645 2904 1 8 . 1 1 7 7 VAL H H 22 7.676 7.676 8.184 -0.508 17645 2905 1 8 . 1 1 8 8 LYS N N 23 122.400 122.400 118.890 3.510 17645 2906 1 8 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.006 0.181 17645 2907 1 8 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.137 -0.307 17645 2908 1 8 . 1 1 8 8 LYS CB C 23 32.560 32.560 31.834 0.726 17645 2909 1 8 . 1 1 8 8 LYS H H 23 7.830 7.830 7.787 0.043 17645 2910 1 8 . 1 1 9 9 VAL N N 24 121.205 121.205 119.048 2.157 17645 2911 1 8 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.671 0.155 17645 2912 1 8 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.748 0.112 17645 2913 1 8 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.562 0.888 17645 2914 1 8 . 1 1 9 9 VAL H H 24 8.194 8.194 7.501 0.693 17645 2915 1 8 . 1 1 10 10 GLY N N 25 107.900 107.900 106.473 1.427 17645 2916 1 8 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.596 0.064 17645 2917 1 8 . 1 1 10 10 GLY H H 25 8.446 8.446 8.048 0.398 17645 2918 1 8 . 1 1 11 11 THR N N 26 116.800 116.800 119.012 -2.212 17645 2919 1 8 . 1 1 11 11 THR HA H 26 4.109 4.109 3.847 0.262 17645 2920 1 8 . 1 1 11 11 THR CA C 26 66.300 66.300 66.308 -0.007 17645 2921 1 8 . 1 1 11 11 THR CB C 26 69.690 69.690 68.642 1.048 17645 2922 1 8 . 1 1 11 11 THR H H 26 7.992 7.992 7.864 0.128 17645 2923 1 8 . 1 1 12 12 LEU N N 27 123.983 123.983 123.098 0.885 17645 2924 1 8 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.048 0.079 17645 2925 1 8 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.423 0.047 17645 2926 1 8 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.983 0.827 17645 2927 1 8 . 1 1 12 12 LEU H H 27 7.934 7.934 7.990 -0.056 17645 2928 1 8 . 1 1 13 13 LYS N N 28 117.513 117.513 119.061 -1.548 17645 2929 1 8 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.816 0.087 17645 2930 1 8 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.763 0.387 17645 2931 1 8 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.021 0.709 17645 2932 1 8 . 1 1 13 13 LYS H H 28 7.824 7.824 7.830 -0.006 17645 2933 1 8 . 1 1 14 14 LYS N N 29 119.275 119.275 118.459 0.816 17645 2934 1 8 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.913 0.238 17645 2935 1 8 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.838 -0.378 17645 2936 1 8 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.131 0.619 17645 2937 1 8 . 1 1 14 14 LYS H H 29 7.685 7.685 7.646 0.039 17645 2938 1 8 . 1 1 15 15 ARG N N 30 119.090 119.090 119.702 -0.612 17645 2939 1 8 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.757 0.303 17645 2940 1 8 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.720 0.310 17645 2941 1 8 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.362 1.148 17645 2942 1 8 . 1 1 15 15 ARG H H 30 7.709 7.709 7.276 0.433 17645 2943 1 8 . 1 1 16 16 LEU N N 31 118.473 118.473 120.050 -1.577 17645 2944 1 8 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.973 0.004 17645 2945 1 8 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.633 -0.553 17645 2946 1 8 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.452 -0.132 17645 2947 1 8 . 1 1 16 16 LEU H H 31 7.595 7.595 7.830 -0.235 17645 2948 1 8 . 1 1 17 17 ASP N N 32 120.020 120.020 118.766 1.254 17645 2949 1 8 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.230 0.209 17645 2950 1 8 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.471 0.509 17645 2951 1 8 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.723 0.157 17645 2952 1 8 . 1 1 17 17 ASP H H 32 7.858 7.858 7.711 0.147 17645 2953 1 8 . 1 1 18 18 LYS N N 33 119.708 119.708 120.214 -0.506 17645 2954 1 8 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.958 0.240 17645 2955 1 8 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.602 -0.132 17645 2956 1 8 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.686 0.504 17645 2957 1 8 . 1 1 18 18 LYS H H 33 7.564 7.564 7.501 0.063 17645 2958 1 8 . 1 1 19 19 PHE N N 34 118.256 118.256 117.596 0.660 17645 2959 1 8 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.227 0.024 17645 2960 1 8 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.110 0.600 17645 2961 1 8 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.662 1.088 17645 2962 1 8 . 1 1 19 19 PHE H H 34 7.884 7.884 7.358 0.526 17645 2963 1 8 . 1 1 20 20 ASN N N 35 117.779 117.779 118.389 -0.610 17645 2964 1 8 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.420 0.040 17645 2965 1 8 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.504 0.846 17645 2966 1 8 . 1 1 20 20 ASN CB C 35 39.000 39.000 37.842 1.158 17645 2967 1 8 . 1 1 20 20 ASN H H 35 8.054 8.054 8.060 -0.006 17645 2968 1 8 . 1 1 21 21 GLU N N 36 120.312 120.312 120.730 -0.418 17645 2969 1 8 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.066 0.040 17645 2970 1 8 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.487 0.283 17645 2971 1 8 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.865 0.645 17645 2972 1 8 . 1 1 21 21 GLU H H 36 7.983 7.983 7.785 0.198 17645 2973 1 8 . 1 1 22 22 VAL N N 37 119.756 119.756 119.181 0.575 17645 2974 1 8 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.666 0.176 17645 2975 1 8 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.215 -0.105 17645 2976 1 8 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.702 0.978 17645 2977 1 8 . 1 1 22 22 VAL H H 37 7.670 7.670 7.743 -0.073 17645 2978 1 8 . 1 1 23 23 VAL N N 38 118.300 118.300 118.608 -0.308 17645 2979 1 8 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.748 -0.071 17645 2980 1 8 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.138 0.412 17645 2981 1 8 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.479 1.001 17645 2982 1 8 . 1 1 23 23 VAL H H 38 8.159 8.159 8.450 -0.291 17645 2983 1 8 . 1 1 24 24 SER N N 39 113.952 113.952 116.781 -2.829 17645 2984 1 8 . 1 1 24 24 SER HA H 39 4.170 4.170 4.167 0.003 17645 2985 1 8 . 1 1 24 24 SER CA C 39 61.880 61.880 61.611 0.269 17645 2986 1 8 . 1 1 24 24 SER CB C 39 63.740 63.740 62.798 0.942 17645 2987 1 8 . 1 1 24 24 SER H H 39 7.773 7.773 8.374 -0.601 17645 2988 1 8 . 1 1 25 25 ALA N N 40 122.572 122.572 123.262 -0.690 17645 2989 1 8 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.257 0.168 17645 2990 1 8 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.128 -1.248 17645 2991 1 8 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.391 2.059 17645 2992 1 8 . 1 1 25 25 ALA H H 40 7.436 7.436 7.924 -0.488 17645 2993 1 8 . 1 1 26 26 LEU N N 41 120.677 120.677 117.799 2.878 17645 2994 1 8 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.029 0.352 17645 2995 1 8 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.602 -0.742 17645 2996 1 8 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.211 0.979 17645 2997 1 8 . 1 1 26 26 LEU H H 41 7.499 7.499 7.543 -0.044 17645 2998 1 8 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.918 0.367 17645 2999 1 8 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.942 0.308 17645 3000 1 8 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.753 3.117 17645 3001 1 8 . 1 1 28 28 ASP N N 43 120.989 120.989 118.588 2.401 17645 3002 1 8 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.738 0.063 17645 3003 1 8 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.450 1.110 17645 3004 1 8 . 1 1 28 28 ASP CB C 43 43.440 43.440 42.949 0.491 17645 3005 1 8 . 1 1 28 28 ASP H H 43 8.513 8.513 7.845 0.668 17645 3006 1 8 . 1 1 29 29 GLY N N 44 108.379 108.379 114.359 -5.980 17645 3007 1 8 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.525 1.015 17645 3008 1 8 . 1 1 29 29 GLY H H 44 8.425 8.425 8.607 -0.182 17645 3009 1 8 . 1 1 30 30 LYS N N 45 119.932 119.932 119.948 -0.016 17645 3010 1 8 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.296 -0.217 17645 3011 1 8 . 1 1 30 30 LYS CA C 45 60.520 60.520 58.784 1.736 17645 3012 1 8 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.326 0.744 17645 3013 1 8 . 1 1 30 30 LYS H H 45 8.269 8.269 8.427 -0.158 17645 3014 1 8 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.261 0.047 17645 3015 1 8 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.035 1.005 17645 3016 1 8 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.467 0.353 17645 3017 1 8 . 1 1 32 32 GLU N N 47 118.526 118.526 117.386 1.140 17645 3018 1 8 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.066 0.066 17645 3019 1 8 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.763 0.407 17645 3020 1 8 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.357 0.553 17645 3021 1 8 . 1 1 32 32 GLU H H 47 8.189 8.189 8.509 -0.320 17645 3022 1 8 . 1 1 33 33 VAL N N 48 120.183 120.183 119.604 0.579 17645 3023 1 8 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.613 0.299 17645 3024 1 8 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.088 0.212 17645 3025 1 8 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.177 1.183 17645 3026 1 8 . 1 1 33 33 VAL H H 48 7.744 7.744 7.400 0.344 17645 3027 1 8 . 1 1 34 34 ASN N N 49 119.700 119.700 118.092 1.608 17645 3028 1 8 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.426 0.024 17645 3029 1 8 . 1 1 34 34 ASN CA C 49 57.050 57.050 55.997 1.053 17645 3030 1 8 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.005 0.645 17645 3031 1 8 . 1 1 34 34 ASN H H 49 8.582 8.582 8.754 -0.172 17645 3032 1 8 . 1 1 35 35 ARG N N 50 121.009 121.009 121.042 -0.033 17645 3033 1 8 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.071 0.066 17645 3034 1 8 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.617 0.152 17645 3035 1 8 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.239 0.531 17645 3036 1 8 . 1 1 35 35 ARG H H 50 7.848 7.848 7.983 -0.135 17645 3037 1 8 . 1 1 36 36 GLN N N 51 119.394 119.394 119.325 0.069 17645 3038 1 8 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.098 -0.035 17645 3039 1 8 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.969 1.041 17645 3040 1 8 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.873 0.897 17645 3041 1 8 . 1 1 36 36 GLN H H 51 7.685 7.685 7.770 -0.085 17645 3042 1 8 . 1 1 37 37 ILE N N 52 122.006 122.006 119.545 2.461 17645 3043 1 8 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.721 -0.267 17645 3044 1 8 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.542 0.758 17645 3045 1 8 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.398 1.502 17645 3046 1 8 . 1 1 37 37 ILE H H 52 8.293 8.293 8.889 -0.596 17645 3047 1 8 . 1 1 38 38 LYS N N 53 121.163 121.163 120.713 0.450 17645 3048 1 8 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.000 0.171 17645 3049 1 8 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.136 -1.086 17645 3050 1 8 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.283 -0.353 17645 3051 1 8 . 1 1 38 38 LYS H H 53 8.169 8.169 7.934 0.235 17645 3052 1 8 . 1 1 39 39 ASN N N 54 117.219 117.219 117.581 -0.362 17645 3053 1 8 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.524 -0.041 17645 3054 1 8 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.755 0.855 17645 3055 1 8 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.607 0.833 17645 3056 1 8 . 1 1 39 39 ASN H H 54 8.171 8.171 7.922 0.249 17645 3057 1 8 . 1 1 40 40 LEU N N 55 123.907 123.907 121.315 2.592 17645 3058 1 8 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.170 0.035 17645 3059 1 8 . 1 1 40 40 LEU CA C 55 58.840 58.840 57.760 1.080 17645 3060 1 8 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.928 0.141 17645 3061 1 8 . 1 1 40 40 LEU H H 55 7.702 7.702 7.867 -0.165 17645 3062 1 8 . 1 1 41 41 GLU N N 56 121.779 121.779 120.269 1.510 17645 3063 1 8 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.027 -0.325 17645 3064 1 8 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.467 1.983 17645 3065 1 8 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.001 1.329 17645 3066 1 8 . 1 1 41 41 GLU H H 56 8.442 8.442 8.186 0.256 17645 3067 1 8 . 1 1 42 42 ILE N N 57 119.133 119.133 120.338 -1.205 17645 3068 1 8 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.723 0.160 17645 3069 1 8 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.080 0.470 17645 3070 1 8 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.707 1.243 17645 3071 1 8 . 1 1 42 42 ILE H H 57 8.531 8.531 7.994 0.537 17645 3072 1 8 . 1 1 43 43 SER N N 58 118.622 118.622 116.940 1.682 17645 3073 1 8 . 1 1 43 43 SER HA H 58 4.322 4.322 4.114 0.208 17645 3074 1 8 . 1 1 43 43 SER CA C 58 62.940 62.940 62.510 0.430 17645 3075 1 8 . 1 1 43 43 SER CB C 58 63.500 63.500 62.888 0.612 17645 3076 1 8 . 1 1 43 43 SER H H 58 8.027 8.027 7.635 0.392 17645 3077 1 8 . 1 1 44 44 ILE N N 59 126.416 126.416 122.520 3.896 17645 3078 1 8 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.658 -0.030 17645 3079 1 8 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.996 0.914 17645 3080 1 8 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.869 1.291 17645 3081 1 8 . 1 1 44 44 ILE H H 59 8.543 8.543 8.268 0.275 17645 3082 1 8 . 1 1 45 45 ASP N N 60 121.563 121.563 119.957 1.606 17645 3083 1 8 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.333 0.074 17645 3084 1 8 . 1 1 45 45 ASP CA C 60 58.280 58.280 58.212 0.068 17645 3085 1 8 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.377 0.383 17645 3086 1 8 . 1 1 45 45 ASP H H 60 8.406 8.406 7.939 0.467 17645 3087 1 8 . 1 1 46 46 ALA N N 61 123.500 123.500 122.749 0.751 17645 3088 1 8 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.060 0.142 17645 3089 1 8 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.137 0.573 17645 3090 1 8 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.473 0.187 17645 3091 1 8 . 1 1 46 46 ALA H H 61 8.538 8.538 8.120 0.418 17645 3092 1 8 . 1 1 47 47 LEU N N 62 121.942 121.942 119.656 2.286 17645 3093 1 8 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.875 0.419 17645 3094 1 8 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.742 -0.082 17645 3095 1 8 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.801 -0.661 17645 3096 1 8 . 1 1 47 47 LEU H H 62 7.801 7.801 7.709 0.092 17645 3097 1 8 . 1 1 48 48 MET N N 63 118.068 118.068 118.698 -0.630 17645 3098 1 8 . 1 1 48 48 MET HA H 63 3.945 3.945 3.871 0.074 17645 3099 1 8 . 1 1 48 48 MET CA C 63 60.330 60.330 59.238 1.092 17645 3100 1 8 . 1 1 48 48 MET CB C 63 33.110 33.110 32.447 0.663 17645 3101 1 8 . 1 1 48 48 MET H H 63 8.261 8.261 7.782 0.479 17645 3102 1 8 . 1 1 49 49 ALA N N 64 120.428 120.428 118.279 2.149 17645 3103 1 8 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.075 0.026 17645 3104 1 8 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.841 0.929 17645 3105 1 8 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.229 0.541 17645 3106 1 8 . 1 1 49 49 ALA H H 64 8.045 8.045 8.045 -0.000 17645 3107 1 8 . 1 1 50 50 LYS N N 65 121.947 121.947 118.336 3.611 17645 3108 1 8 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.308 -0.269 17645 3109 1 8 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.646 1.874 17645 3110 1 8 . 1 1 50 50 LYS CB C 65 33.680 33.680 33.033 0.647 17645 3111 1 8 . 1 1 50 50 LYS H H 65 8.063 8.063 7.843 0.220 17645 3112 1 8 . 1 1 51 51 ILE N N 66 121.189 121.189 118.701 2.488 17645 3113 1 8 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.953 -0.203 17645 3114 1 8 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.735 3.005 17645 3115 1 8 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.408 1.712 17645 3116 1 8 . 1 1 51 51 ILE H H 66 8.437 8.437 8.299 0.138 17645 3117 1 8 . 1 1 52 52 LYS N N 67 117.119 117.119 118.666 -1.547 17645 3118 1 8 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.334 -0.198 17645 3119 1 8 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.998 1.212 17645 3120 1 8 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.588 0.092 17645 3121 1 8 . 1 1 52 52 LYS H H 67 7.622 7.622 7.988 -0.366 17645 3122 1 8 . 1 1 53 53 SER N N 68 111.824 111.824 115.171 -3.347 17645 3123 1 8 . 1 1 53 53 SER HA H 68 4.602 4.602 4.611 -0.009 17645 3124 1 8 . 1 1 53 53 SER CA C 68 59.960 59.960 58.988 0.972 17645 3125 1 8 . 1 1 53 53 SER CB C 68 65.750 65.750 63.242 2.508 17645 3126 1 8 . 1 1 53 53 SER H H 68 7.750 7.750 7.832 -0.082 17645 3127 1 8 . 1 1 54 54 THR N N 69 115.916 115.916 111.281 4.635 17645 3128 1 8 . 1 1 54 54 THR HA H 69 4.596 4.596 4.342 0.254 17645 3129 1 8 . 1 1 54 54 THR CA C 69 62.460 62.460 61.858 0.602 17645 3130 1 8 . 1 1 54 54 THR CB C 69 71.650 71.650 70.408 1.242 17645 3131 1 8 . 1 1 54 54 THR H H 69 7.972 7.972 7.135 0.837 17645 3132 1 8 . 1 1 55 55 MET N N 70 121.343 121.343 122.970 -1.627 17645 3133 1 8 . 1 1 55 55 MET HA H 70 4.551 4.551 4.318 0.233 17645 3134 1 8 . 1 1 55 55 MET CA C 70 56.050 56.050 55.449 0.601 17645 3135 1 8 . 1 1 55 55 MET CB C 70 32.500 32.500 31.311 1.189 17645 3136 1 8 . 1 1 55 55 MET H H 70 8.306 8.306 8.767 -0.461 17645 3137 1 8 . 1 1 56 56 MET N N 71 123.196 123.196 122.344 0.852 17645 3138 1 8 . 1 1 56 56 MET HA H 71 4.706 4.706 4.323 0.383 17645 3139 1 8 . 1 1 56 56 MET CA C 71 55.860 55.860 54.338 1.522 17645 3140 1 8 . 1 1 56 56 MET CB C 71 37.620 37.620 32.595 5.025 17645 3141 1 8 . 1 1 56 56 MET H H 71 8.114 8.114 7.919 0.195 17645 3142 1 8 . 1 1 57 57 THR N N 72 113.158 113.158 119.657 -6.499 17645 3143 1 8 . 1 1 57 57 THR HA H 72 4.483 4.483 4.422 0.061 17645 3144 1 8 . 1 1 57 57 THR CA C 72 61.080 61.080 61.401 -0.321 17645 3145 1 8 . 1 1 57 57 THR CB C 72 71.670 71.670 69.642 2.028 17645 3146 1 8 . 1 1 57 57 THR H H 72 8.486 8.486 8.410 0.076 17645 3147 1 8 . 1 1 58 58 ARG N N 73 121.911 121.911 126.426 -4.515 17645 3148 1 8 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.910 -0.001 17645 3149 1 8 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.214 0.306 17645 3150 1 8 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.044 0.286 17645 3151 1 8 . 1 1 58 58 ARG H H 73 8.961 8.961 8.880 0.081 17645 3152 1 8 . 1 1 59 59 GLU N N 74 118.955 118.955 117.992 0.963 17645 3153 1 8 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.042 -0.010 17645 3154 1 8 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.195 0.695 17645 3155 1 8 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.053 0.907 17645 3156 1 8 . 1 1 59 59 GLU H H 74 8.833 8.833 8.761 0.072 17645 3157 1 8 . 1 1 60 60 GLN N N 75 121.077 121.077 118.396 2.681 17645 3158 1 8 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.137 -0.147 17645 3159 1 8 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.496 0.904 17645 3160 1 8 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.163 1.227 17645 3161 1 8 . 1 1 60 60 GLN H H 75 7.801 7.801 7.714 0.087 17645 3162 1 8 . 1 1 61 61 ILE N N 76 120.016 120.016 120.539 -0.523 17645 3163 1 8 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.851 -0.422 17645 3164 1 8 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.768 3.092 17645 3165 1 8 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.713 1.997 17645 3166 1 8 . 1 1 61 61 ILE H H 76 8.250 8.250 7.688 0.562 17645 3167 1 8 . 1 1 62 62 GLN N N 77 119.153 119.153 119.967 -0.814 17645 3168 1 8 . 1 1 62 62 GLN HA H 77 3.767 3.767 3.951 -0.184 17645 3169 1 8 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.477 0.293 17645 3170 1 8 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.538 0.542 17645 3171 1 8 . 1 1 62 62 GLN H H 77 8.295 8.295 8.476 -0.181 17645 3172 1 8 . 1 1 63 63 LYS N N 78 118.200 118.200 118.698 -0.498 17645 3173 1 8 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.358 -0.204 17645 3174 1 8 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.076 1.074 17645 3175 1 8 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.181 1.129 17645 3176 1 8 . 1 1 63 63 LYS H H 78 7.839 7.839 7.818 0.021 17645 3177 1 8 . 1 1 64 64 GLU N N 79 120.133 120.133 119.619 0.514 17645 3178 1 8 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.026 0.116 17645 3179 1 8 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.425 0.905 17645 3180 1 8 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.479 1.131 17645 3181 1 8 . 1 1 64 64 GLU H H 79 7.899 7.899 8.100 -0.201 17645 3182 1 8 . 1 1 65 65 TYR N N 80 122.505 122.505 119.925 2.580 17645 3183 1 8 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.209 -0.267 17645 3184 1 8 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.865 0.894 17645 3185 1 8 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.376 1.094 17645 3186 1 8 . 1 1 65 65 TYR H H 80 9.023 9.023 8.298 0.725 17645 3187 1 8 . 1 1 66 66 ASP N N 81 120.497 120.497 119.396 1.101 17645 3188 1 8 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.309 -0.092 17645 3189 1 8 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.144 0.956 17645 3190 1 8 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.053 0.587 17645 3191 1 8 . 1 1 66 66 ASP H H 81 9.089 9.089 7.694 1.395 17645 3192 1 8 . 1 1 67 67 ALA N N 82 122.397 122.397 122.672 -0.275 17645 3193 1 8 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.021 0.166 17645 3194 1 8 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.173 0.657 17645 3195 1 8 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.488 0.431 17645 3196 1 8 . 1 1 67 67 ALA H H 82 7.636 7.636 8.262 -0.626 17645 3197 1 8 . 1 1 68 68 LEU N N 83 121.806 121.806 117.789 4.017 17645 3198 1 8 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.032 0.113 17645 3199 1 8 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.560 0.720 17645 3200 1 8 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.772 1.088 17645 3201 1 8 . 1 1 68 68 LEU H H 83 7.727 7.727 7.683 0.044 17645 3202 1 8 . 1 1 69 69 VAL N N 84 123.560 123.560 120.860 2.700 17645 3203 1 8 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.698 -0.393 17645 3204 1 8 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.500 1.540 17645 3205 1 8 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.367 0.823 17645 3206 1 8 . 1 1 69 69 VAL H H 84 8.560 8.560 7.775 0.785 17645 3207 1 8 . 1 1 70 70 LYS N N 85 121.398 121.398 120.985 0.413 17645 3208 1 8 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.070 0.022 17645 3209 1 8 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.027 1.223 17645 3210 1 8 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.068 0.692 17645 3211 1 8 . 1 1 70 70 LYS H H 85 7.956 7.956 8.417 -0.461 17645 3212 1 8 . 1 1 71 71 SER N N 86 114.825 114.825 115.419 -0.594 17645 3213 1 8 . 1 1 71 71 SER HA H 86 4.298 4.298 4.138 0.160 17645 3214 1 8 . 1 1 71 71 SER CA C 86 62.810 62.810 62.194 0.616 17645 3215 1 8 . 1 1 71 71 SER CB C 86 63.640 63.640 63.089 0.551 17645 3216 1 8 . 1 1 71 71 SER H H 86 8.284 8.284 7.869 0.415 17645 3217 1 8 . 1 1 72 72 SER N N 87 118.845 118.845 117.339 1.506 17645 3218 1 8 . 1 1 72 72 SER HA H 87 4.269 4.269 3.948 0.321 17645 3219 1 8 . 1 1 72 72 SER CA C 87 62.940 62.940 61.271 1.669 17645 3220 1 8 . 1 1 72 72 SER CB C 87 63.870 63.870 62.971 0.898 17645 3221 1 8 . 1 1 72 72 SER H H 87 8.421 8.421 8.382 0.039 17645 3222 1 8 . 1 1 73 73 GLU N N 88 124.809 124.809 122.300 2.509 17645 3223 1 8 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.913 0.139 17645 3224 1 8 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.361 0.869 17645 3225 1 8 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.513 0.717 17645 3226 1 8 . 1 1 73 73 GLU H H 88 8.376 8.376 7.820 0.556 17645 3227 1 8 . 1 1 74 74 ASP N N 89 122.193 122.193 119.877 2.316 17645 3228 1 8 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.385 0.026 17645 3229 1 8 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.448 0.462 17645 3230 1 8 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.630 -0.050 17645 3231 1 8 . 1 1 74 74 ASP H H 89 8.734 8.734 7.694 1.040 17645 3232 1 8 . 1 1 75 75 LEU N N 90 123.280 123.280 121.917 1.363 17645 3233 1 8 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.931 0.359 17645 3234 1 8 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.029 0.531 17645 3235 1 8 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.823 0.207 17645 3236 1 8 . 1 1 75 75 LEU H H 90 7.986 7.986 7.438 0.548 17645 3237 1 8 . 1 1 76 76 LEU N N 91 120.488 120.488 117.949 2.539 17645 3238 1 8 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.714 0.124 17645 3239 1 8 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.147 1.053 17645 3240 1 8 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.047 0.462 17645 3241 1 8 . 1 1 76 76 LEU H H 91 8.280 8.280 7.728 0.552 17645 3242 1 8 . 1 1 77 77 SER N N 92 113.817 113.817 114.785 -0.968 17645 3243 1 8 . 1 1 77 77 SER HA H 92 4.235 4.235 4.049 0.186 17645 3244 1 8 . 1 1 77 77 SER CA C 92 62.200 62.200 61.624 0.576 17645 3245 1 8 . 1 1 77 77 SER CB C 92 63.440 63.440 62.649 0.791 17645 3246 1 8 . 1 1 77 77 SER H H 92 8.219 8.219 8.089 0.130 17645 3247 1 8 . 1 1 78 78 ALA N N 93 124.902 124.902 124.507 0.395 17645 3248 1 8 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.076 0.090 17645 3249 1 8 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.707 1.153 17645 3250 1 8 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.249 0.511 17645 3251 1 8 . 1 1 78 78 ALA H H 93 7.949 7.949 7.902 0.047 17645 3252 1 8 . 1 1 79 79 LEU N N 94 120.602 120.602 119.147 1.455 17645 3253 1 8 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.759 0.308 17645 3254 1 8 . 1 1 79 79 LEU CA C 94 58.470 58.470 57.996 0.474 17645 3255 1 8 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.611 0.999 17645 3256 1 8 . 1 1 79 79 LEU H H 94 8.587 8.587 8.087 0.500 17645 3257 1 8 . 1 1 80 80 GLN N N 95 119.525 119.525 118.091 1.434 17645 3258 1 8 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.977 0.071 17645 3259 1 8 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.286 0.304 17645 3260 1 8 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.193 0.647 17645 3261 1 8 . 1 1 80 80 GLN H H 95 8.561 8.561 8.370 0.191 17645 3262 1 8 . 1 1 81 81 LYS N N 96 121.075 121.075 118.284 2.791 17645 3263 1 8 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.300 -0.163 17645 3264 1 8 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.154 0.896 17645 3265 1 8 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.184 0.756 17645 3266 1 8 . 1 1 81 81 LYS H H 96 8.003 8.003 7.685 0.318 17645 3267 1 8 . 1 1 82 82 LYS N N 97 121.415 121.415 119.966 1.449 17645 3268 1 8 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.993 0.132 17645 3269 1 8 . 1 1 82 82 LYS CA C 97 59.970 59.970 60.163 -0.193 17645 3270 1 8 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.383 0.737 17645 3271 1 8 . 1 1 82 82 LYS H H 97 7.903 7.903 7.349 0.554 17645 3272 1 8 . 1 1 83 83 LYS N N 98 121.081 121.081 118.951 2.130 17645 3273 1 8 . 1 1 83 83 LYS HA H 98 3.982 3.982 3.945 0.037 17645 3274 1 8 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.119 0.891 17645 3275 1 8 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.988 1.132 17645 3276 1 8 . 1 1 83 83 LYS H H 98 8.202 8.202 7.879 0.323 17645 3277 1 8 . 1 1 84 84 GLN N N 99 119.576 119.576 117.402 2.174 17645 3278 1 8 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.013 0.111 17645 3279 1 8 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.040 1.770 17645 3280 1 8 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.104 0.856 17645 3281 1 8 . 1 1 84 84 GLN H H 99 8.125 8.125 7.979 0.146 17645 3282 1 8 . 1 1 85 85 GLN N N 100 120.009 120.009 118.849 1.160 17645 3283 1 8 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.104 0.017 17645 3284 1 8 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.797 1.792 17645 3285 1 8 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.500 -0.480 17645 3286 1 8 . 1 1 85 85 GLN H H 100 8.341 8.341 7.636 0.705 17645 3287 1 8 . 1 1 86 86 GLU N N 101 121.718 121.718 117.939 3.779 17645 3288 1 8 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.585 -0.450 17645 3289 1 8 . 1 1 86 86 GLU CA C 101 60.430 60.430 55.418 5.012 17645 3290 1 8 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.966 0.174 17645 3291 1 8 . 1 1 86 86 GLU H H 101 8.275 8.275 7.723 0.552 17645 3292 1 8 . 1 1 87 87 GLU N N 102 121.412 121.412 123.561 -2.149 17645 3293 1 8 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.108 0.008 17645 3294 1 8 . 1 1 87 87 GLU CA C 102 59.960 59.960 58.116 1.844 17645 3295 1 8 . 1 1 87 87 GLU CB C 102 30.290 30.290 29.804 0.486 17645 3296 1 8 . 1 1 87 87 GLU H H 102 8.330 8.330 8.906 -0.577 17645 3297 1 9 . 1 1 2 2 GLY N N 17 110.356 110.356 111.358 -1.002 17645 3298 1 9 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.594 0.016 17645 3299 1 9 . 1 1 2 2 GLY H H 17 8.065 8.065 8.491 -0.426 17645 3300 1 9 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.518 -0.125 17645 3301 1 9 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.910 1.760 17645 3302 1 9 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.607 0.093 17645 3303 1 9 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.686 1.044 17645 3304 1 9 . 1 1 5 5 SER HA H 20 4.192 4.192 4.474 -0.282 17645 3305 1 9 . 1 1 5 5 SER CA C 20 60.960 60.960 59.930 1.030 17645 3306 1 9 . 1 1 5 5 SER CB C 20 64.250 64.250 63.584 0.666 17645 3307 1 9 . 1 1 6 6 LEU N N 21 122.731 122.731 122.746 -0.015 17645 3308 1 9 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.066 0.054 17645 3309 1 9 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.534 0.186 17645 3310 1 9 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.833 1.137 17645 3311 1 9 . 1 1 6 6 LEU H H 21 8.052 8.052 8.079 -0.027 17645 3312 1 9 . 1 1 7 7 VAL N N 22 119.948 119.948 117.735 2.213 17645 3313 1 9 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.576 0.177 17645 3314 1 9 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.598 -1.248 17645 3315 1 9 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.972 0.628 17645 3316 1 9 . 1 1 7 7 VAL H H 22 7.676 7.676 7.965 -0.289 17645 3317 1 9 . 1 1 8 8 LYS N N 23 122.400 122.400 119.318 3.082 17645 3318 1 9 . 1 1 8 8 LYS HA H 23 4.187 4.187 3.876 0.311 17645 3319 1 9 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.331 -0.501 17645 3320 1 9 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.005 0.555 17645 3321 1 9 . 1 1 8 8 LYS H H 23 7.830 7.830 7.527 0.303 17645 3322 1 9 . 1 1 9 9 VAL N N 24 121.205 121.205 118.706 2.499 17645 3323 1 9 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.879 -0.053 17645 3324 1 9 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.315 0.545 17645 3325 1 9 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.853 1.597 17645 3326 1 9 . 1 1 9 9 VAL H H 24 8.194 8.194 7.815 0.379 17645 3327 1 9 . 1 1 10 10 GLY N N 25 107.900 107.900 106.741 1.159 17645 3328 1 9 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.467 0.194 17645 3329 1 9 . 1 1 10 10 GLY H H 25 8.446 8.446 8.417 0.029 17645 3330 1 9 . 1 1 11 11 THR N N 26 116.800 116.800 119.763 -2.963 17645 3331 1 9 . 1 1 11 11 THR HA H 26 4.109 4.109 3.808 0.301 17645 3332 1 9 . 1 1 11 11 THR CA C 26 66.300 66.300 66.739 -0.439 17645 3333 1 9 . 1 1 11 11 THR CB C 26 69.690 69.690 68.543 1.147 17645 3334 1 9 . 1 1 11 11 THR H H 26 7.992 7.992 7.639 0.353 17645 3335 1 9 . 1 1 12 12 LEU N N 27 123.983 123.983 121.563 2.420 17645 3336 1 9 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.825 0.302 17645 3337 1 9 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.866 0.604 17645 3338 1 9 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.542 1.268 17645 3339 1 9 . 1 1 12 12 LEU H H 27 7.934 7.934 7.747 0.187 17645 3340 1 9 . 1 1 13 13 LYS N N 28 117.513 117.513 118.948 -1.435 17645 3341 1 9 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.826 0.077 17645 3342 1 9 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.836 0.314 17645 3343 1 9 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.012 0.718 17645 3344 1 9 . 1 1 13 13 LYS H H 28 7.824 7.824 7.744 0.080 17645 3345 1 9 . 1 1 14 14 LYS N N 29 119.275 119.275 119.240 0.035 17645 3346 1 9 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.009 0.142 17645 3347 1 9 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.228 0.232 17645 3348 1 9 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.091 0.659 17645 3349 1 9 . 1 1 14 14 LYS H H 29 7.685 7.685 7.686 -0.001 17645 3350 1 9 . 1 1 15 15 ARG N N 30 119.090 119.090 120.518 -1.428 17645 3351 1 9 . 1 1 15 15 ARG HA H 30 4.060 4.060 4.032 0.028 17645 3352 1 9 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.746 0.284 17645 3353 1 9 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.477 1.033 17645 3354 1 9 . 1 1 15 15 ARG H H 30 7.709 7.709 7.545 0.164 17645 3355 1 9 . 1 1 16 16 LEU N N 31 118.473 118.473 120.305 -1.832 17645 3356 1 9 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.597 0.380 17645 3357 1 9 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.114 -0.034 17645 3358 1 9 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.136 0.183 17645 3359 1 9 . 1 1 16 16 LEU H H 31 7.595 7.595 7.892 -0.297 17645 3360 1 9 . 1 1 17 17 ASP N N 32 120.020 120.020 119.444 0.576 17645 3361 1 9 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.278 0.161 17645 3362 1 9 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.895 0.085 17645 3363 1 9 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.943 -0.063 17645 3364 1 9 . 1 1 17 17 ASP H H 32 7.858 7.858 7.797 0.061 17645 3365 1 9 . 1 1 18 18 LYS N N 33 119.708 119.708 120.324 -0.616 17645 3366 1 9 . 1 1 18 18 LYS HA H 33 4.198 4.198 4.120 0.078 17645 3367 1 9 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.646 -0.176 17645 3368 1 9 . 1 1 18 18 LYS CB C 33 32.190 32.190 32.005 0.185 17645 3369 1 9 . 1 1 18 18 LYS H H 33 7.564 7.564 7.845 -0.281 17645 3370 1 9 . 1 1 19 19 PHE N N 34 118.256 118.256 118.554 -0.298 17645 3371 1 9 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.216 0.035 17645 3372 1 9 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.019 0.691 17645 3373 1 9 . 1 1 19 19 PHE CB C 34 38.750 38.750 38.005 0.744 17645 3374 1 9 . 1 1 19 19 PHE H H 34 7.884 7.884 8.322 -0.438 17645 3375 1 9 . 1 1 20 20 ASN N N 35 117.779 117.779 117.620 0.159 17645 3376 1 9 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.430 0.030 17645 3377 1 9 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.486 0.864 17645 3378 1 9 . 1 1 20 20 ASN CB C 35 39.000 39.000 37.986 1.014 17645 3379 1 9 . 1 1 20 20 ASN H H 35 8.054 8.054 8.526 -0.472 17645 3380 1 9 . 1 1 21 21 GLU N N 36 120.312 120.312 121.099 -0.787 17645 3381 1 9 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.056 0.050 17645 3382 1 9 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.787 -0.017 17645 3383 1 9 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.728 0.782 17645 3384 1 9 . 1 1 21 21 GLU H H 36 7.983 7.983 7.752 0.231 17645 3385 1 9 . 1 1 22 22 VAL N N 37 119.756 119.756 118.902 0.854 17645 3386 1 9 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.769 0.073 17645 3387 1 9 . 1 1 22 22 VAL CA C 37 66.110 66.110 65.727 0.383 17645 3388 1 9 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.197 1.483 17645 3389 1 9 . 1 1 22 22 VAL H H 37 7.670 7.670 7.862 -0.192 17645 3390 1 9 . 1 1 23 23 VAL N N 38 118.300 118.300 118.919 -0.619 17645 3391 1 9 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.679 -0.002 17645 3392 1 9 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.062 1.488 17645 3393 1 9 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.889 1.591 17645 3394 1 9 . 1 1 23 23 VAL H H 38 8.159 8.159 8.130 0.029 17645 3395 1 9 . 1 1 24 24 SER N N 39 113.952 113.952 116.290 -2.338 17645 3396 1 9 . 1 1 24 24 SER HA H 39 4.170 4.170 4.192 -0.022 17645 3397 1 9 . 1 1 24 24 SER CA C 39 61.880 61.880 61.188 0.692 17645 3398 1 9 . 1 1 24 24 SER CB C 39 63.740 63.740 63.182 0.558 17645 3399 1 9 . 1 1 24 24 SER H H 39 7.773 7.773 8.481 -0.708 17645 3400 1 9 . 1 1 25 25 ALA N N 40 122.572 122.572 122.378 0.194 17645 3401 1 9 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.238 0.187 17645 3402 1 9 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.677 -0.797 17645 3403 1 9 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.073 1.377 17645 3404 1 9 . 1 1 25 25 ALA H H 40 7.436 7.436 7.703 -0.267 17645 3405 1 9 . 1 1 26 26 LEU N N 41 120.677 120.677 118.039 2.638 17645 3406 1 9 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.144 0.237 17645 3407 1 9 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.121 -0.261 17645 3408 1 9 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.698 0.492 17645 3409 1 9 . 1 1 26 26 LEU H H 41 7.499 7.499 7.502 -0.003 17645 3410 1 9 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.895 0.390 17645 3411 1 9 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.817 0.433 17645 3412 1 9 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.887 2.982 17645 3413 1 9 . 1 1 28 28 ASP N N 43 120.989 120.989 118.373 2.616 17645 3414 1 9 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.754 0.047 17645 3415 1 9 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.379 1.181 17645 3416 1 9 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.182 2.258 17645 3417 1 9 . 1 1 28 28 ASP H H 43 8.513 8.513 7.763 0.750 17645 3418 1 9 . 1 1 29 29 GLY N N 44 108.379 108.379 112.818 -4.439 17645 3419 1 9 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.456 1.084 17645 3420 1 9 . 1 1 29 29 GLY H H 44 8.425 8.425 8.754 -0.329 17645 3421 1 9 . 1 1 30 30 LYS N N 45 119.932 119.932 120.386 -0.454 17645 3422 1 9 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.066 0.012 17645 3423 1 9 . 1 1 30 30 LYS CA C 45 60.520 60.520 60.417 0.103 17645 3424 1 9 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.141 0.929 17645 3425 1 9 . 1 1 30 30 LYS H H 45 8.269 8.269 8.602 -0.333 17645 3426 1 9 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.291 0.017 17645 3427 1 9 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.186 0.854 17645 3428 1 9 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.071 0.749 17645 3429 1 9 . 1 1 32 32 GLU N N 47 118.526 118.526 118.217 0.309 17645 3430 1 9 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.065 0.068 17645 3431 1 9 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.708 0.462 17645 3432 1 9 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.289 0.621 17645 3433 1 9 . 1 1 32 32 GLU H H 47 8.189 8.189 8.557 -0.368 17645 3434 1 9 . 1 1 33 33 VAL N N 48 120.183 120.183 120.250 -0.067 17645 3435 1 9 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.588 0.324 17645 3436 1 9 . 1 1 33 33 VAL CA C 48 66.300 66.300 67.177 -0.877 17645 3437 1 9 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.557 0.803 17645 3438 1 9 . 1 1 33 33 VAL H H 48 7.744 7.744 8.268 -0.524 17645 3439 1 9 . 1 1 34 34 ASN N N 49 119.700 119.700 118.446 1.254 17645 3440 1 9 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.462 -0.012 17645 3441 1 9 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.235 0.815 17645 3442 1 9 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.275 0.375 17645 3443 1 9 . 1 1 34 34 ASN H H 49 8.582 8.582 8.683 -0.101 17645 3444 1 9 . 1 1 35 35 ARG N N 50 121.009 121.009 119.322 1.687 17645 3445 1 9 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.097 0.040 17645 3446 1 9 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.340 0.430 17645 3447 1 9 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.617 1.153 17645 3448 1 9 . 1 1 35 35 ARG H H 50 7.848 7.848 8.370 -0.522 17645 3449 1 9 . 1 1 36 36 GLN N N 51 119.394 119.394 120.033 -0.639 17645 3450 1 9 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.156 -0.093 17645 3451 1 9 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.733 1.277 17645 3452 1 9 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.089 0.681 17645 3453 1 9 . 1 1 36 36 GLN H H 51 7.685 7.685 7.673 0.012 17645 3454 1 9 . 1 1 37 37 ILE N N 52 122.006 122.006 120.169 1.837 17645 3455 1 9 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.707 -0.253 17645 3456 1 9 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.372 0.928 17645 3457 1 9 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.419 1.481 17645 3458 1 9 . 1 1 37 37 ILE H H 52 8.293 8.293 8.974 -0.681 17645 3459 1 9 . 1 1 38 38 LYS N N 53 121.163 121.163 120.506 0.657 17645 3460 1 9 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.027 0.144 17645 3461 1 9 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.272 -0.222 17645 3462 1 9 . 1 1 38 38 LYS CB C 53 31.930 31.930 31.950 -0.020 17645 3463 1 9 . 1 1 38 38 LYS H H 53 8.169 8.169 7.817 0.352 17645 3464 1 9 . 1 1 39 39 ASN N N 54 117.219 117.219 117.991 -0.772 17645 3465 1 9 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.474 0.009 17645 3466 1 9 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.940 0.670 17645 3467 1 9 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.993 0.447 17645 3468 1 9 . 1 1 39 39 ASN H H 54 8.171 8.171 7.875 0.296 17645 3469 1 9 . 1 1 40 40 LEU N N 55 123.907 123.907 119.980 3.927 17645 3470 1 9 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.080 0.125 17645 3471 1 9 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.001 0.840 17645 3472 1 9 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.545 0.525 17645 3473 1 9 . 1 1 40 40 LEU H H 55 7.702 7.702 7.924 -0.222 17645 3474 1 9 . 1 1 41 41 GLU N N 56 121.779 121.779 120.444 1.335 17645 3475 1 9 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.020 -0.318 17645 3476 1 9 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.326 2.124 17645 3477 1 9 . 1 1 41 41 GLU CB C 56 30.330 30.330 28.943 1.387 17645 3478 1 9 . 1 1 41 41 GLU H H 56 8.442 8.442 8.103 0.339 17645 3479 1 9 . 1 1 42 42 ILE N N 57 119.133 119.133 120.550 -1.417 17645 3480 1 9 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.698 0.185 17645 3481 1 9 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.203 0.347 17645 3482 1 9 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.735 1.215 17645 3483 1 9 . 1 1 42 42 ILE H H 57 8.531 8.531 8.305 0.226 17645 3484 1 9 . 1 1 43 43 SER N N 58 118.622 118.622 116.737 1.885 17645 3485 1 9 . 1 1 43 43 SER HA H 58 4.322 4.322 4.126 0.196 17645 3486 1 9 . 1 1 43 43 SER CA C 58 62.940 62.940 62.489 0.451 17645 3487 1 9 . 1 1 43 43 SER CB C 58 63.500 63.500 62.980 0.520 17645 3488 1 9 . 1 1 43 43 SER H H 58 8.027 8.027 7.636 0.391 17645 3489 1 9 . 1 1 44 44 ILE N N 59 126.416 126.416 122.187 4.229 17645 3490 1 9 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.624 0.004 17645 3491 1 9 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.721 1.189 17645 3492 1 9 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.782 1.378 17645 3493 1 9 . 1 1 44 44 ILE H H 59 8.543 8.543 8.580 -0.037 17645 3494 1 9 . 1 1 45 45 ASP N N 60 121.563 121.563 119.898 1.665 17645 3495 1 9 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.317 0.090 17645 3496 1 9 . 1 1 45 45 ASP CA C 60 58.280 58.280 58.215 0.065 17645 3497 1 9 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.347 0.413 17645 3498 1 9 . 1 1 45 45 ASP H H 60 8.406 8.406 8.103 0.303 17645 3499 1 9 . 1 1 46 46 ALA N N 61 123.500 123.500 122.613 0.887 17645 3500 1 9 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.044 0.158 17645 3501 1 9 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.077 0.633 17645 3502 1 9 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.450 0.210 17645 3503 1 9 . 1 1 46 46 ALA H H 61 8.538 8.538 7.943 0.595 17645 3504 1 9 . 1 1 47 47 LEU N N 62 121.942 121.942 119.674 2.268 17645 3505 1 9 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.844 0.450 17645 3506 1 9 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.640 0.020 17645 3507 1 9 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.770 -0.630 17645 3508 1 9 . 1 1 47 47 LEU H H 62 7.801 7.801 7.729 0.072 17645 3509 1 9 . 1 1 48 48 MET N N 63 118.068 118.068 119.217 -1.149 17645 3510 1 9 . 1 1 48 48 MET HA H 63 3.945 3.945 3.810 0.135 17645 3511 1 9 . 1 1 48 48 MET CA C 63 60.330 60.330 59.495 0.835 17645 3512 1 9 . 1 1 48 48 MET CB C 63 33.110 33.110 32.432 0.678 17645 3513 1 9 . 1 1 48 48 MET H H 63 8.261 8.261 7.796 0.465 17645 3514 1 9 . 1 1 49 49 ALA N N 64 120.428 120.428 118.229 2.199 17645 3515 1 9 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.023 0.078 17645 3516 1 9 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.675 1.095 17645 3517 1 9 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.333 0.437 17645 3518 1 9 . 1 1 49 49 ALA H H 64 8.045 8.045 7.983 0.062 17645 3519 1 9 . 1 1 50 50 LYS N N 65 121.947 121.947 118.168 3.779 17645 3520 1 9 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.149 -0.110 17645 3521 1 9 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.935 1.585 17645 3522 1 9 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.522 1.158 17645 3523 1 9 . 1 1 50 50 LYS H H 65 8.063 8.063 7.747 0.316 17645 3524 1 9 . 1 1 51 51 ILE N N 66 121.189 121.189 119.123 2.066 17645 3525 1 9 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.898 -0.148 17645 3526 1 9 . 1 1 51 51 ILE CA C 66 65.740 65.740 63.113 2.627 17645 3527 1 9 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.154 1.966 17645 3528 1 9 . 1 1 51 51 ILE H H 66 8.437 8.437 8.402 0.035 17645 3529 1 9 . 1 1 52 52 LYS N N 67 117.119 117.119 118.924 -1.805 17645 3530 1 9 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.382 -0.246 17645 3531 1 9 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.278 1.932 17645 3532 1 9 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.179 0.500 17645 3533 1 9 . 1 1 52 52 LYS H H 67 7.622 7.622 7.836 -0.214 17645 3534 1 9 . 1 1 53 53 SER N N 68 111.824 111.824 113.589 -1.765 17645 3535 1 9 . 1 1 53 53 SER HA H 68 4.602 4.602 4.626 -0.024 17645 3536 1 9 . 1 1 53 53 SER CA C 68 59.960 59.960 58.199 1.761 17645 3537 1 9 . 1 1 53 53 SER CB C 68 65.750 65.750 63.700 2.050 17645 3538 1 9 . 1 1 53 53 SER H H 68 7.750 7.750 7.883 -0.133 17645 3539 1 9 . 1 1 54 54 THR N N 69 115.916 115.916 113.583 2.333 17645 3540 1 9 . 1 1 54 54 THR HA H 69 4.596 4.596 4.503 0.093 17645 3541 1 9 . 1 1 54 54 THR CA C 69 62.460 62.460 61.447 1.013 17645 3542 1 9 . 1 1 54 54 THR CB C 69 71.650 71.650 69.946 1.704 17645 3543 1 9 . 1 1 54 54 THR H H 69 7.972 7.972 7.301 0.671 17645 3544 1 9 . 1 1 55 55 MET N N 70 121.343 121.343 120.886 0.457 17645 3545 1 9 . 1 1 55 55 MET HA H 70 4.551 4.551 4.696 -0.145 17645 3546 1 9 . 1 1 55 55 MET CA C 70 56.050 56.050 54.500 1.550 17645 3547 1 9 . 1 1 55 55 MET CB C 70 32.500 32.500 33.559 -1.059 17645 3548 1 9 . 1 1 55 55 MET H H 70 8.306 8.306 8.389 -0.083 17645 3549 1 9 . 1 1 56 56 MET N N 71 123.196 123.196 120.738 2.458 17645 3550 1 9 . 1 1 56 56 MET HA H 71 4.706 4.706 4.341 0.365 17645 3551 1 9 . 1 1 56 56 MET CA C 71 55.860 55.860 56.283 -0.423 17645 3552 1 9 . 1 1 56 56 MET CB C 71 37.620 37.620 32.875 4.745 17645 3553 1 9 . 1 1 56 56 MET H H 71 8.114 8.114 7.615 0.499 17645 3554 1 9 . 1 1 57 57 THR N N 72 113.158 113.158 116.624 -3.466 17645 3555 1 9 . 1 1 57 57 THR HA H 72 4.483 4.483 4.472 0.011 17645 3556 1 9 . 1 1 57 57 THR CA C 72 61.080 61.080 62.408 -1.329 17645 3557 1 9 . 1 1 57 57 THR CB C 72 71.670 71.670 70.071 1.599 17645 3558 1 9 . 1 1 57 57 THR H H 72 8.486 8.486 8.204 0.282 17645 3559 1 9 . 1 1 58 58 ARG N N 73 121.911 121.911 124.994 -3.083 17645 3560 1 9 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.915 -0.006 17645 3561 1 9 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.014 0.506 17645 3562 1 9 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.058 0.272 17645 3563 1 9 . 1 1 58 58 ARG H H 73 8.961 8.961 8.904 0.057 17645 3564 1 9 . 1 1 59 59 GLU N N 74 118.955 118.955 118.270 0.685 17645 3565 1 9 . 1 1 59 59 GLU HA H 74 4.032 4.032 3.982 0.050 17645 3566 1 9 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.934 0.956 17645 3567 1 9 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.069 0.891 17645 3568 1 9 . 1 1 59 59 GLU H H 74 8.833 8.833 8.734 0.099 17645 3569 1 9 . 1 1 60 60 GLN N N 75 121.077 121.077 118.336 2.741 17645 3570 1 9 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.029 -0.039 17645 3571 1 9 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.845 0.555 17645 3572 1 9 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.286 1.104 17645 3573 1 9 . 1 1 60 60 GLN H H 75 7.801 7.801 7.621 0.180 17645 3574 1 9 . 1 1 61 61 ILE N N 76 120.016 120.016 119.373 0.643 17645 3575 1 9 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.538 -0.109 17645 3576 1 9 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.197 3.663 17645 3577 1 9 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.618 2.092 17645 3578 1 9 . 1 1 61 61 ILE H H 76 8.250 8.250 7.274 0.976 17645 3579 1 9 . 1 1 62 62 GLN N N 77 119.153 119.153 120.225 -1.072 17645 3580 1 9 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.116 -0.349 17645 3581 1 9 . 1 1 62 62 GLN CA C 77 59.770 59.770 58.916 0.854 17645 3582 1 9 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.196 0.884 17645 3583 1 9 . 1 1 62 62 GLN H H 77 8.295 8.295 8.053 0.242 17645 3584 1 9 . 1 1 63 63 LYS N N 78 118.200 118.200 119.288 -1.088 17645 3585 1 9 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.009 0.145 17645 3586 1 9 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.317 0.833 17645 3587 1 9 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.170 1.140 17645 3588 1 9 . 1 1 63 63 LYS H H 78 7.839 7.839 7.753 0.086 17645 3589 1 9 . 1 1 64 64 GLU N N 79 120.133 120.133 119.211 0.922 17645 3590 1 9 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.971 0.171 17645 3591 1 9 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.558 0.772 17645 3592 1 9 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.322 1.288 17645 3593 1 9 . 1 1 64 64 GLU H H 79 7.899 7.899 7.768 0.131 17645 3594 1 9 . 1 1 65 65 TYR N N 80 122.505 122.505 118.505 4.000 17645 3595 1 9 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.258 -0.316 17645 3596 1 9 . 1 1 65 65 TYR CA C 80 62.760 62.760 60.376 2.384 17645 3597 1 9 . 1 1 65 65 TYR CB C 80 39.470 39.470 37.359 2.111 17645 3598 1 9 . 1 1 65 65 TYR H H 80 9.023 9.023 7.785 1.238 17645 3599 1 9 . 1 1 66 66 ASP N N 81 120.497 120.497 118.911 1.586 17645 3600 1 9 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.385 -0.168 17645 3601 1 9 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.605 0.495 17645 3602 1 9 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.036 0.604 17645 3603 1 9 . 1 1 66 66 ASP H H 81 9.089 9.089 7.576 1.513 17645 3604 1 9 . 1 1 67 67 ALA N N 82 122.397 122.397 122.552 -0.155 17645 3605 1 9 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.140 0.047 17645 3606 1 9 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.146 0.684 17645 3607 1 9 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.388 0.532 17645 3608 1 9 . 1 1 67 67 ALA H H 82 7.636 7.636 8.323 -0.687 17645 3609 1 9 . 1 1 68 68 LEU N N 83 121.806 121.806 118.255 3.551 17645 3610 1 9 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.114 0.031 17645 3611 1 9 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.556 0.724 17645 3612 1 9 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.773 1.087 17645 3613 1 9 . 1 1 68 68 LEU H H 83 7.727 7.727 7.889 -0.162 17645 3614 1 9 . 1 1 69 69 VAL N N 84 123.560 123.560 121.088 2.472 17645 3615 1 9 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.858 -0.553 17645 3616 1 9 . 1 1 69 69 VAL CA C 84 68.040 68.040 65.530 2.510 17645 3617 1 9 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.052 1.138 17645 3618 1 9 . 1 1 69 69 VAL H H 84 8.560 8.560 8.009 0.551 17645 3619 1 9 . 1 1 70 70 LYS N N 85 121.398 121.398 120.903 0.495 17645 3620 1 9 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.104 -0.012 17645 3621 1 9 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.073 1.177 17645 3622 1 9 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.075 0.685 17645 3623 1 9 . 1 1 70 70 LYS H H 85 7.956 7.956 8.217 -0.261 17645 3624 1 9 . 1 1 71 71 SER N N 86 114.825 114.825 115.029 -0.204 17645 3625 1 9 . 1 1 71 71 SER HA H 86 4.298 4.298 4.220 0.078 17645 3626 1 9 . 1 1 71 71 SER CA C 86 62.810 62.810 62.096 0.714 17645 3627 1 9 . 1 1 71 71 SER CB C 86 63.640 63.640 62.935 0.705 17645 3628 1 9 . 1 1 71 71 SER H H 86 8.284 8.284 7.985 0.299 17645 3629 1 9 . 1 1 72 72 SER N N 87 118.845 118.845 117.158 1.687 17645 3630 1 9 . 1 1 72 72 SER HA H 87 4.269 4.269 4.322 -0.053 17645 3631 1 9 . 1 1 72 72 SER CA C 87 62.940 62.940 61.713 1.227 17645 3632 1 9 . 1 1 72 72 SER CB C 87 63.870 63.870 62.940 0.930 17645 3633 1 9 . 1 1 72 72 SER H H 87 8.421 8.421 8.476 -0.055 17645 3634 1 9 . 1 1 73 73 GLU N N 88 124.809 124.809 121.636 3.173 17645 3635 1 9 . 1 1 73 73 GLU HA H 88 4.052 4.052 4.054 -0.002 17645 3636 1 9 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.379 0.851 17645 3637 1 9 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.197 1.033 17645 3638 1 9 . 1 1 73 73 GLU H H 88 8.376 8.376 7.899 0.477 17645 3639 1 9 . 1 1 74 74 ASP N N 89 122.193 122.193 120.031 2.162 17645 3640 1 9 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.461 -0.050 17645 3641 1 9 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.206 0.704 17645 3642 1 9 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.942 -0.362 17645 3643 1 9 . 1 1 74 74 ASP H H 89 8.734 8.734 7.759 0.975 17645 3644 1 9 . 1 1 75 75 LEU N N 90 123.280 123.280 121.972 1.308 17645 3645 1 9 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.051 0.239 17645 3646 1 9 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.117 0.443 17645 3647 1 9 . 1 1 75 75 LEU CB C 90 42.030 42.030 42.146 -0.116 17645 3648 1 9 . 1 1 75 75 LEU H H 90 7.986 7.986 7.636 0.350 17645 3649 1 9 . 1 1 76 76 LEU N N 91 120.488 120.488 118.590 1.898 17645 3650 1 9 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.631 0.207 17645 3651 1 9 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.357 0.843 17645 3652 1 9 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.040 0.470 17645 3653 1 9 . 1 1 76 76 LEU H H 91 8.280 8.280 7.884 0.396 17645 3654 1 9 . 1 1 77 77 SER N N 92 113.817 113.817 115.228 -1.411 17645 3655 1 9 . 1 1 77 77 SER HA H 92 4.235 4.235 3.997 0.238 17645 3656 1 9 . 1 1 77 77 SER CA C 92 62.200 62.200 61.938 0.262 17645 3657 1 9 . 1 1 77 77 SER CB C 92 63.440 63.440 62.806 0.634 17645 3658 1 9 . 1 1 77 77 SER H H 92 8.219 8.219 7.960 0.259 17645 3659 1 9 . 1 1 78 78 ALA N N 93 124.902 124.902 124.101 0.801 17645 3660 1 9 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.041 0.125 17645 3661 1 9 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.717 1.143 17645 3662 1 9 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.576 0.183 17645 3663 1 9 . 1 1 78 78 ALA H H 93 7.949 7.949 7.931 0.018 17645 3664 1 9 . 1 1 79 79 LEU N N 94 120.602 120.602 120.654 -0.052 17645 3665 1 9 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.913 0.154 17645 3666 1 9 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.282 0.188 17645 3667 1 9 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.712 0.898 17645 3668 1 9 . 1 1 79 79 LEU H H 94 8.587 8.587 8.105 0.482 17645 3669 1 9 . 1 1 80 80 GLN N N 95 119.525 119.525 117.857 1.668 17645 3670 1 9 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.882 0.166 17645 3671 1 9 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.082 0.508 17645 3672 1 9 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.073 0.767 17645 3673 1 9 . 1 1 80 80 GLN H H 95 8.561 8.561 8.537 0.024 17645 3674 1 9 . 1 1 81 81 LYS N N 96 121.075 121.075 117.847 3.228 17645 3675 1 9 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.984 0.153 17645 3676 1 9 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.258 0.792 17645 3677 1 9 . 1 1 81 81 LYS CB C 96 32.940 32.940 31.810 1.130 17645 3678 1 9 . 1 1 81 81 LYS H H 96 8.003 8.003 7.902 0.101 17645 3679 1 9 . 1 1 82 82 LYS N N 97 121.415 121.415 120.976 0.439 17645 3680 1 9 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.971 0.154 17645 3681 1 9 . 1 1 82 82 LYS CA C 97 59.970 59.970 60.017 -0.047 17645 3682 1 9 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.438 0.682 17645 3683 1 9 . 1 1 82 82 LYS H H 97 7.903 7.903 7.765 0.138 17645 3684 1 9 . 1 1 83 83 LYS N N 98 121.081 121.081 118.807 2.274 17645 3685 1 9 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.050 -0.068 17645 3686 1 9 . 1 1 83 83 LYS CA C 98 60.010 60.010 58.959 1.051 17645 3687 1 9 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.893 1.227 17645 3688 1 9 . 1 1 83 83 LYS H H 98 8.202 8.202 8.188 0.014 17645 3689 1 9 . 1 1 84 84 GLN N N 99 119.576 119.576 117.481 2.095 17645 3690 1 9 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.104 0.020 17645 3691 1 9 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.014 1.796 17645 3692 1 9 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.339 0.621 17645 3693 1 9 . 1 1 84 84 GLN H H 99 8.125 8.125 7.958 0.167 17645 3694 1 9 . 1 1 85 85 GLN N N 100 120.009 120.009 118.167 1.842 17645 3695 1 9 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.206 -0.085 17645 3696 1 9 . 1 1 85 85 GLN CA C 100 59.590 59.590 58.170 1.420 17645 3697 1 9 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.620 -0.600 17645 3698 1 9 . 1 1 85 85 GLN H H 100 8.341 8.341 7.504 0.837 17645 3699 1 9 . 1 1 86 86 GLU N N 101 121.718 121.718 119.109 2.609 17645 3700 1 9 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.180 -0.045 17645 3701 1 9 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.326 3.104 17645 3702 1 9 . 1 1 86 86 GLU CB C 101 30.140 30.140 27.995 2.145 17645 3703 1 9 . 1 1 86 86 GLU H H 101 8.275 8.275 8.151 0.124 17645 3704 1 9 . 1 1 87 87 GLU N N 102 121.412 121.412 120.528 0.884 17645 3705 1 9 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.496 -0.380 17645 3706 1 9 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.846 3.114 17645 3707 1 9 . 1 1 87 87 GLU CB C 102 30.290 30.290 32.239 -1.949 17645 3708 1 9 . 1 1 87 87 GLU H H 102 8.330 8.330 8.431 -0.101 17645 3709 1 10 . 1 1 2 2 GLY N N 17 110.356 110.356 111.712 -1.356 17645 3710 1 10 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.538 1.072 17645 3711 1 10 . 1 1 2 2 GLY H H 17 8.065 8.065 8.373 -0.308 17645 3712 1 10 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.351 0.042 17645 3713 1 10 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.605 2.066 17645 3714 1 10 . 1 1 3 3 PRO CB C 18 32.700 32.700 30.924 1.776 17645 3715 1 10 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.279 1.451 17645 3716 1 10 . 1 1 5 5 SER HA H 20 4.192 4.192 4.576 -0.384 17645 3717 1 10 . 1 1 5 5 SER CA C 20 60.960 60.960 58.424 2.536 17645 3718 1 10 . 1 1 5 5 SER CB C 20 64.250 64.250 63.658 0.592 17645 3719 1 10 . 1 1 6 6 LEU N N 21 122.731 122.731 123.749 -1.018 17645 3720 1 10 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.062 0.058 17645 3721 1 10 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.079 -0.359 17645 3722 1 10 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.830 1.141 17645 3723 1 10 . 1 1 6 6 LEU H H 21 8.052 8.052 8.215 -0.163 17645 3724 1 10 . 1 1 7 7 VAL N N 22 119.948 119.948 118.673 1.275 17645 3725 1 10 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.710 0.043 17645 3726 1 10 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.042 -0.692 17645 3727 1 10 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.452 1.148 17645 3728 1 10 . 1 1 7 7 VAL H H 22 7.676 7.676 7.971 -0.295 17645 3729 1 10 . 1 1 8 8 LYS N N 23 122.400 122.400 119.720 2.680 17645 3730 1 10 . 1 1 8 8 LYS HA H 23 4.187 4.187 3.992 0.195 17645 3731 1 10 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.023 -0.193 17645 3732 1 10 . 1 1 8 8 LYS CB C 23 32.560 32.560 31.891 0.669 17645 3733 1 10 . 1 1 8 8 LYS H H 23 7.830 7.830 7.413 0.417 17645 3734 1 10 . 1 1 9 9 VAL N N 24 121.205 121.205 118.183 3.022 17645 3735 1 10 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.832 -0.006 17645 3736 1 10 . 1 1 9 9 VAL CA C 24 66.860 66.860 67.048 -0.188 17645 3737 1 10 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.088 1.362 17645 3738 1 10 . 1 1 9 9 VAL H H 24 8.194 8.194 8.204 -0.010 17645 3739 1 10 . 1 1 10 10 GLY N N 25 107.900 107.900 106.932 0.968 17645 3740 1 10 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.587 0.073 17645 3741 1 10 . 1 1 10 10 GLY H H 25 8.446 8.446 8.499 -0.053 17645 3742 1 10 . 1 1 11 11 THR N N 26 116.800 116.800 119.086 -2.286 17645 3743 1 10 . 1 1 11 11 THR HA H 26 4.109 4.109 4.001 0.108 17645 3744 1 10 . 1 1 11 11 THR CA C 26 66.300 66.300 66.244 0.056 17645 3745 1 10 . 1 1 11 11 THR CB C 26 69.690 69.690 68.405 1.285 17645 3746 1 10 . 1 1 11 11 THR H H 26 7.992 7.992 7.908 0.084 17645 3747 1 10 . 1 1 12 12 LEU N N 27 123.983 123.983 123.113 0.870 17645 3748 1 10 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.062 0.065 17645 3749 1 10 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.080 0.390 17645 3750 1 10 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.679 1.131 17645 3751 1 10 . 1 1 12 12 LEU H H 27 7.934 7.934 7.921 0.013 17645 3752 1 10 . 1 1 13 13 LYS N N 28 117.513 117.513 118.925 -1.412 17645 3753 1 10 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.879 0.024 17645 3754 1 10 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.607 0.543 17645 3755 1 10 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.020 0.710 17645 3756 1 10 . 1 1 13 13 LYS H H 28 7.824 7.824 7.819 0.005 17645 3757 1 10 . 1 1 14 14 LYS N N 29 119.275 119.275 118.566 0.709 17645 3758 1 10 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.038 0.113 17645 3759 1 10 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.271 0.189 17645 3760 1 10 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.049 0.701 17645 3761 1 10 . 1 1 14 14 LYS H H 29 7.685 7.685 7.694 -0.009 17645 3762 1 10 . 1 1 15 15 ARG N N 30 119.090 119.090 120.035 -0.945 17645 3763 1 10 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.795 0.265 17645 3764 1 10 . 1 1 15 15 ARG CA C 30 59.030 59.030 59.105 -0.076 17645 3765 1 10 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.723 0.787 17645 3766 1 10 . 1 1 15 15 ARG H H 30 7.709 7.709 7.340 0.369 17645 3767 1 10 . 1 1 16 16 LEU N N 31 118.473 118.473 120.560 -2.087 17645 3768 1 10 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.260 -0.283 17645 3769 1 10 . 1 1 16 16 LEU CA C 31 58.080 58.080 59.071 -0.991 17645 3770 1 10 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.984 -0.664 17645 3771 1 10 . 1 1 16 16 LEU H H 31 7.595 7.595 8.228 -0.633 17645 3772 1 10 . 1 1 17 17 ASP N N 32 120.020 120.020 119.188 0.832 17645 3773 1 10 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.277 0.162 17645 3774 1 10 . 1 1 17 17 ASP CA C 32 57.980 57.980 58.070 -0.090 17645 3775 1 10 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.835 0.045 17645 3776 1 10 . 1 1 17 17 ASP H H 32 7.858 7.858 7.763 0.095 17645 3777 1 10 . 1 1 18 18 LYS N N 33 119.708 119.708 120.065 -0.357 17645 3778 1 10 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.966 0.232 17645 3779 1 10 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.850 -0.380 17645 3780 1 10 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.502 0.688 17645 3781 1 10 . 1 1 18 18 LYS H H 33 7.564 7.564 7.659 -0.095 17645 3782 1 10 . 1 1 19 19 PHE N N 34 118.256 118.256 119.042 -0.786 17645 3783 1 10 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.242 0.009 17645 3784 1 10 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.332 0.378 17645 3785 1 10 . 1 1 19 19 PHE CB C 34 38.750 38.750 38.029 0.721 17645 3786 1 10 . 1 1 19 19 PHE H H 34 7.884 7.884 7.642 0.242 17645 3787 1 10 . 1 1 20 20 ASN N N 35 117.779 117.779 118.131 -0.352 17645 3788 1 10 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.436 0.024 17645 3789 1 10 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.900 0.450 17645 3790 1 10 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.148 0.852 17645 3791 1 10 . 1 1 20 20 ASN H H 35 8.054 8.054 8.034 0.020 17645 3792 1 10 . 1 1 21 21 GLU N N 36 120.312 120.312 120.902 -0.590 17645 3793 1 10 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.057 0.049 17645 3794 1 10 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.900 -0.130 17645 3795 1 10 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.826 0.684 17645 3796 1 10 . 1 1 21 21 GLU H H 36 7.983 7.983 7.733 0.250 17645 3797 1 10 . 1 1 22 22 VAL N N 37 119.756 119.756 119.568 0.188 17645 3798 1 10 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.724 0.118 17645 3799 1 10 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.366 -0.256 17645 3800 1 10 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.730 0.950 17645 3801 1 10 . 1 1 22 22 VAL H H 37 7.670 7.670 7.792 -0.122 17645 3802 1 10 . 1 1 23 23 VAL N N 38 118.300 118.300 118.275 0.025 17645 3803 1 10 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.667 0.010 17645 3804 1 10 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.955 0.595 17645 3805 1 10 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.213 1.267 17645 3806 1 10 . 1 1 23 23 VAL H H 38 8.159 8.159 8.027 0.132 17645 3807 1 10 . 1 1 24 24 SER N N 39 113.952 113.952 117.042 -3.090 17645 3808 1 10 . 1 1 24 24 SER HA H 39 4.170 4.170 4.137 0.033 17645 3809 1 10 . 1 1 24 24 SER CA C 39 61.880 61.880 61.702 0.179 17645 3810 1 10 . 1 1 24 24 SER CB C 39 63.740 63.740 62.954 0.786 17645 3811 1 10 . 1 1 24 24 SER H H 39 7.773 7.773 8.498 -0.725 17645 3812 1 10 . 1 1 25 25 ALA N N 40 122.572 122.572 123.150 -0.578 17645 3813 1 10 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.156 0.269 17645 3814 1 10 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.383 -1.503 17645 3815 1 10 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.422 2.028 17645 3816 1 10 . 1 1 25 25 ALA H H 40 7.436 7.436 7.772 -0.336 17645 3817 1 10 . 1 1 26 26 LEU N N 41 120.677 120.677 115.419 5.258 17645 3818 1 10 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.129 0.252 17645 3819 1 10 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.523 0.337 17645 3820 1 10 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.450 0.740 17645 3821 1 10 . 1 1 26 26 LEU H H 41 7.499 7.499 7.594 -0.095 17645 3822 1 10 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.056 0.229 17645 3823 1 10 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.356 0.894 17645 3824 1 10 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.661 3.209 17645 3825 1 10 . 1 1 28 28 ASP N N 43 120.989 120.989 118.920 2.069 17645 3826 1 10 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.756 0.045 17645 3827 1 10 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.316 1.244 17645 3828 1 10 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.575 -0.135 17645 3829 1 10 . 1 1 28 28 ASP H H 43 8.513 8.513 7.793 0.720 17645 3830 1 10 . 1 1 29 29 GLY N N 44 108.379 108.379 110.369 -1.990 17645 3831 1 10 . 1 1 29 29 GLY CA C 44 46.540 46.540 46.026 0.514 17645 3832 1 10 . 1 1 29 29 GLY H H 44 8.425 8.425 8.551 -0.126 17645 3833 1 10 . 1 1 30 30 LYS N N 45 119.932 119.932 120.143 -0.211 17645 3834 1 10 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.129 -0.050 17645 3835 1 10 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.925 0.595 17645 3836 1 10 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.296 0.774 17645 3837 1 10 . 1 1 30 30 LYS H H 45 8.269 8.269 8.483 -0.214 17645 3838 1 10 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.300 0.008 17645 3839 1 10 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.152 0.888 17645 3840 1 10 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.249 0.571 17645 3841 1 10 . 1 1 32 32 GLU N N 47 118.526 118.526 118.355 0.171 17645 3842 1 10 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.051 0.082 17645 3843 1 10 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.737 0.433 17645 3844 1 10 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.335 0.575 17645 3845 1 10 . 1 1 32 32 GLU H H 47 8.189 8.189 8.480 -0.291 17645 3846 1 10 . 1 1 33 33 VAL N N 48 120.183 120.183 119.718 0.465 17645 3847 1 10 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.610 0.302 17645 3848 1 10 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.412 -0.112 17645 3849 1 10 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.220 1.140 17645 3850 1 10 . 1 1 33 33 VAL H H 48 7.744 7.744 8.132 -0.388 17645 3851 1 10 . 1 1 34 34 ASN N N 49 119.700 119.700 118.495 1.205 17645 3852 1 10 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.499 -0.049 17645 3853 1 10 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.003 1.047 17645 3854 1 10 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.303 0.347 17645 3855 1 10 . 1 1 34 34 ASN H H 49 8.582 8.582 8.641 -0.059 17645 3856 1 10 . 1 1 35 35 ARG N N 50 121.009 121.009 119.547 1.462 17645 3857 1 10 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.089 0.048 17645 3858 1 10 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.348 0.422 17645 3859 1 10 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.536 1.234 17645 3860 1 10 . 1 1 35 35 ARG H H 50 7.848 7.848 8.383 -0.535 17645 3861 1 10 . 1 1 36 36 GLN N N 51 119.394 119.394 120.025 -0.631 17645 3862 1 10 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.127 -0.064 17645 3863 1 10 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.691 1.319 17645 3864 1 10 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.056 0.714 17645 3865 1 10 . 1 1 36 36 GLN H H 51 7.685 7.685 7.711 -0.026 17645 3866 1 10 . 1 1 37 37 ILE N N 52 122.006 122.006 119.747 2.259 17645 3867 1 10 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.661 -0.207 17645 3868 1 10 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.101 1.199 17645 3869 1 10 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.528 1.372 17645 3870 1 10 . 1 1 37 37 ILE H H 52 8.293 8.293 8.837 -0.544 17645 3871 1 10 . 1 1 38 38 LYS N N 53 121.163 121.163 121.057 0.106 17645 3872 1 10 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.992 0.179 17645 3873 1 10 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.868 -0.818 17645 3874 1 10 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.312 -0.382 17645 3875 1 10 . 1 1 38 38 LYS H H 53 8.169 8.169 7.879 0.290 17645 3876 1 10 . 1 1 39 39 ASN N N 54 117.219 117.219 118.280 -1.061 17645 3877 1 10 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.413 0.070 17645 3878 1 10 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.016 0.595 17645 3879 1 10 . 1 1 39 39 ASN CB C 54 38.440 38.440 38.048 0.392 17645 3880 1 10 . 1 1 39 39 ASN H H 54 8.171 8.171 7.858 0.313 17645 3881 1 10 . 1 1 40 40 LEU N N 55 123.907 123.907 120.066 3.841 17645 3882 1 10 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.158 0.047 17645 3883 1 10 . 1 1 40 40 LEU CA C 55 58.840 58.840 57.609 1.231 17645 3884 1 10 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.786 0.284 17645 3885 1 10 . 1 1 40 40 LEU H H 55 7.702 7.702 7.877 -0.175 17645 3886 1 10 . 1 1 41 41 GLU N N 56 121.779 121.779 120.098 1.681 17645 3887 1 10 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.014 -0.312 17645 3888 1 10 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.411 2.039 17645 3889 1 10 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.082 1.248 17645 3890 1 10 . 1 1 41 41 GLU H H 56 8.442 8.442 8.122 0.320 17645 3891 1 10 . 1 1 42 42 ILE N N 57 119.133 119.133 120.583 -1.450 17645 3892 1 10 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.706 0.177 17645 3893 1 10 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.083 0.467 17645 3894 1 10 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.751 1.199 17645 3895 1 10 . 1 1 42 42 ILE H H 57 8.531 8.531 8.085 0.446 17645 3896 1 10 . 1 1 43 43 SER N N 58 118.622 118.622 116.760 1.862 17645 3897 1 10 . 1 1 43 43 SER HA H 58 4.322 4.322 4.126 0.196 17645 3898 1 10 . 1 1 43 43 SER CA C 58 62.940 62.940 62.074 0.866 17645 3899 1 10 . 1 1 43 43 SER CB C 58 63.500 63.500 62.579 0.921 17645 3900 1 10 . 1 1 43 43 SER H H 58 8.027 8.027 7.732 0.295 17645 3901 1 10 . 1 1 44 44 ILE N N 59 126.416 126.416 122.762 3.654 17645 3902 1 10 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.633 -0.005 17645 3903 1 10 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.674 1.236 17645 3904 1 10 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.701 1.459 17645 3905 1 10 . 1 1 44 44 ILE H H 59 8.543 8.543 8.408 0.135 17645 3906 1 10 . 1 1 45 45 ASP N N 60 121.563 121.563 119.872 1.691 17645 3907 1 10 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.318 0.089 17645 3908 1 10 . 1 1 45 45 ASP CA C 60 58.280 58.280 58.057 0.223 17645 3909 1 10 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.388 0.372 17645 3910 1 10 . 1 1 45 45 ASP H H 60 8.406 8.406 8.027 0.379 17645 3911 1 10 . 1 1 46 46 ALA N N 61 123.500 123.500 122.460 1.040 17645 3912 1 10 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.052 0.150 17645 3913 1 10 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.109 0.601 17645 3914 1 10 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.477 0.182 17645 3915 1 10 . 1 1 46 46 ALA H H 61 8.538 8.538 8.059 0.479 17645 3916 1 10 . 1 1 47 47 LEU N N 62 121.942 121.942 119.281 2.661 17645 3917 1 10 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.842 0.452 17645 3918 1 10 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.642 0.018 17645 3919 1 10 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.750 -0.610 17645 3920 1 10 . 1 1 47 47 LEU H H 62 7.801 7.801 7.718 0.083 17645 3921 1 10 . 1 1 48 48 MET N N 63 118.068 118.068 117.485 0.583 17645 3922 1 10 . 1 1 48 48 MET HA H 63 3.945 3.945 3.937 0.008 17645 3923 1 10 . 1 1 48 48 MET CA C 63 60.330 60.330 58.373 1.957 17645 3924 1 10 . 1 1 48 48 MET CB C 63 33.110 33.110 31.067 2.043 17645 3925 1 10 . 1 1 48 48 MET H H 63 8.261 8.261 7.782 0.479 17645 3926 1 10 . 1 1 49 49 ALA N N 64 120.428 120.428 119.237 1.191 17645 3927 1 10 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.038 0.063 17645 3928 1 10 . 1 1 49 49 ALA CA C 64 55.770 55.770 55.026 0.744 17645 3929 1 10 . 1 1 49 49 ALA CB C 64 18.770 18.770 17.964 0.806 17645 3930 1 10 . 1 1 49 49 ALA H H 64 8.045 8.045 8.008 0.037 17645 3931 1 10 . 1 1 50 50 LYS N N 65 121.947 121.947 118.387 3.560 17645 3932 1 10 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.321 -0.282 17645 3933 1 10 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.634 1.886 17645 3934 1 10 . 1 1 50 50 LYS CB C 65 33.680 33.680 33.023 0.657 17645 3935 1 10 . 1 1 50 50 LYS H H 65 8.063 8.063 7.814 0.249 17645 3936 1 10 . 1 1 51 51 ILE N N 66 121.189 121.189 119.010 2.179 17645 3937 1 10 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.954 -0.204 17645 3938 1 10 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.818 2.922 17645 3939 1 10 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.383 1.737 17645 3940 1 10 . 1 1 51 51 ILE H H 66 8.437 8.437 8.339 0.098 17645 3941 1 10 . 1 1 52 52 LYS N N 67 117.119 117.119 118.569 -1.450 17645 3942 1 10 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.345 -0.209 17645 3943 1 10 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.804 1.406 17645 3944 1 10 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.048 0.632 17645 3945 1 10 . 1 1 52 52 LYS H H 67 7.622 7.622 7.958 -0.336 17645 3946 1 10 . 1 1 53 53 SER N N 68 111.824 111.824 114.666 -2.842 17645 3947 1 10 . 1 1 53 53 SER HA H 68 4.602 4.602 4.525 0.077 17645 3948 1 10 . 1 1 53 53 SER CA C 68 59.960 59.960 58.529 1.431 17645 3949 1 10 . 1 1 53 53 SER CB C 68 65.750 65.750 62.940 2.810 17645 3950 1 10 . 1 1 53 53 SER H H 68 7.750 7.750 7.761 -0.011 17645 3951 1 10 . 1 1 54 54 THR N N 69 115.916 115.916 111.585 4.331 17645 3952 1 10 . 1 1 54 54 THR HA H 69 4.596 4.596 4.314 0.282 17645 3953 1 10 . 1 1 54 54 THR CA C 69 62.460 62.460 61.728 0.732 17645 3954 1 10 . 1 1 54 54 THR CB C 69 71.650 71.650 69.586 2.064 17645 3955 1 10 . 1 1 54 54 THR H H 69 7.972 7.972 7.180 0.792 17645 3956 1 10 . 1 1 55 55 MET N N 70 121.343 121.343 122.711 -1.368 17645 3957 1 10 . 1 1 55 55 MET HA H 70 4.551 4.551 4.369 0.182 17645 3958 1 10 . 1 1 55 55 MET CA C 70 56.050 56.050 54.955 1.095 17645 3959 1 10 . 1 1 55 55 MET CB C 70 32.500 32.500 31.240 1.260 17645 3960 1 10 . 1 1 55 55 MET H H 70 8.306 8.306 8.692 -0.386 17645 3961 1 10 . 1 1 56 56 MET N N 71 123.196 123.196 122.509 0.687 17645 3962 1 10 . 1 1 56 56 MET HA H 71 4.706 4.706 4.361 0.345 17645 3963 1 10 . 1 1 56 56 MET CA C 71 55.860 55.860 55.087 0.773 17645 3964 1 10 . 1 1 56 56 MET CB C 71 37.620 37.620 32.432 5.188 17645 3965 1 10 . 1 1 56 56 MET H H 71 8.114 8.114 7.926 0.188 17645 3966 1 10 . 1 1 57 57 THR N N 72 113.158 113.158 120.007 -6.849 17645 3967 1 10 . 1 1 57 57 THR HA H 72 4.483 4.483 4.387 0.096 17645 3968 1 10 . 1 1 57 57 THR CA C 72 61.080 61.080 62.659 -1.579 17645 3969 1 10 . 1 1 57 57 THR CB C 72 71.670 71.670 69.480 2.190 17645 3970 1 10 . 1 1 57 57 THR H H 72 8.486 8.486 8.338 0.148 17645 3971 1 10 . 1 1 58 58 ARG N N 73 121.911 121.911 127.176 -5.265 17645 3972 1 10 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.936 -0.027 17645 3973 1 10 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.293 1.227 17645 3974 1 10 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.525 0.805 17645 3975 1 10 . 1 1 58 58 ARG H H 73 8.961 8.961 8.784 0.177 17645 3976 1 10 . 1 1 59 59 GLU N N 74 118.955 118.955 119.627 -0.672 17645 3977 1 10 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.041 -0.009 17645 3978 1 10 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.892 0.999 17645 3979 1 10 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.072 0.888 17645 3980 1 10 . 1 1 59 59 GLU H H 74 8.833 8.833 8.719 0.114 17645 3981 1 10 . 1 1 60 60 GLN N N 75 121.077 121.077 118.691 2.386 17645 3982 1 10 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.127 -0.137 17645 3983 1 10 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.522 0.878 17645 3984 1 10 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.371 1.019 17645 3985 1 10 . 1 1 60 60 GLN H H 75 7.801 7.801 7.611 0.190 17645 3986 1 10 . 1 1 61 61 ILE N N 76 120.016 120.016 120.070 -0.054 17645 3987 1 10 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.854 -0.425 17645 3988 1 10 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.972 2.888 17645 3989 1 10 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.790 1.920 17645 3990 1 10 . 1 1 61 61 ILE H H 76 8.250 8.250 7.660 0.590 17645 3991 1 10 . 1 1 62 62 GLN N N 77 119.153 119.153 119.755 -0.602 17645 3992 1 10 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.014 -0.247 17645 3993 1 10 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.199 0.571 17645 3994 1 10 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.365 0.715 17645 3995 1 10 . 1 1 62 62 GLN H H 77 8.295 8.295 7.939 0.356 17645 3996 1 10 . 1 1 63 63 LYS N N 78 118.200 118.200 120.744 -2.544 17645 3997 1 10 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.397 -0.243 17645 3998 1 10 . 1 1 63 63 LYS CA C 78 60.150 60.150 58.946 1.204 17645 3999 1 10 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.310 1.000 17645 4000 1 10 . 1 1 63 63 LYS H H 78 7.839 7.839 7.861 -0.022 17645 4001 1 10 . 1 1 64 64 GLU N N 79 120.133 120.133 119.869 0.264 17645 4002 1 10 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.000 0.142 17645 4003 1 10 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.457 0.873 17645 4004 1 10 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.713 0.897 17645 4005 1 10 . 1 1 64 64 GLU H H 79 7.899 7.899 8.132 -0.233 17645 4006 1 10 . 1 1 65 65 TYR N N 80 122.505 122.505 119.730 2.775 17645 4007 1 10 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.196 -0.254 17645 4008 1 10 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.598 1.162 17645 4009 1 10 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.498 0.972 17645 4010 1 10 . 1 1 65 65 TYR H H 80 9.023 9.023 7.949 1.074 17645 4011 1 10 . 1 1 66 66 ASP N N 81 120.497 120.497 119.823 0.674 17645 4012 1 10 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.356 -0.139 17645 4013 1 10 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.141 0.959 17645 4014 1 10 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.200 0.440 17645 4015 1 10 . 1 1 66 66 ASP H H 81 9.089 9.089 7.977 1.112 17645 4016 1 10 . 1 1 67 67 ALA N N 82 122.397 122.397 122.602 -0.205 17645 4017 1 10 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.090 0.097 17645 4018 1 10 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.022 0.808 17645 4019 1 10 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.392 0.528 17645 4020 1 10 . 1 1 67 67 ALA H H 82 7.636 7.636 8.262 -0.626 17645 4021 1 10 . 1 1 68 68 LEU N N 83 121.806 121.806 118.276 3.530 17645 4022 1 10 . 1 1 68 68 LEU HA H 83 4.145 4.145 3.986 0.159 17645 4023 1 10 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.741 0.539 17645 4024 1 10 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.861 0.999 17645 4025 1 10 . 1 1 68 68 LEU H H 83 7.727 7.727 7.594 0.133 17645 4026 1 10 . 1 1 69 69 VAL N N 84 123.560 123.560 120.184 3.376 17645 4027 1 10 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.571 -0.266 17645 4028 1 10 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.056 1.984 17645 4029 1 10 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.733 1.457 17645 4030 1 10 . 1 1 69 69 VAL H H 84 8.560 8.560 7.707 0.853 17645 4031 1 10 . 1 1 70 70 LYS N N 85 121.398 121.398 120.875 0.523 17645 4032 1 10 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.052 0.040 17645 4033 1 10 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.536 0.714 17645 4034 1 10 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.061 0.699 17645 4035 1 10 . 1 1 70 70 LYS H H 85 7.956 7.956 8.191 -0.235 17645 4036 1 10 . 1 1 71 71 SER N N 86 114.825 114.825 115.183 -0.358 17645 4037 1 10 . 1 1 71 71 SER HA H 86 4.298 4.298 4.169 0.129 17645 4038 1 10 . 1 1 71 71 SER CA C 86 62.810 62.810 61.771 1.039 17645 4039 1 10 . 1 1 71 71 SER CB C 86 63.640 63.640 62.779 0.861 17645 4040 1 10 . 1 1 71 71 SER H H 86 8.284 8.284 7.878 0.406 17645 4041 1 10 . 1 1 72 72 SER N N 87 118.845 118.845 117.296 1.549 17645 4042 1 10 . 1 1 72 72 SER HA H 87 4.269 4.269 4.008 0.261 17645 4043 1 10 . 1 1 72 72 SER CA C 87 62.940 62.940 61.546 1.394 17645 4044 1 10 . 1 1 72 72 SER CB C 87 63.870 63.870 63.008 0.862 17645 4045 1 10 . 1 1 72 72 SER H H 87 8.421 8.421 8.288 0.133 17645 4046 1 10 . 1 1 73 73 GLU N N 88 124.809 124.809 120.965 3.844 17645 4047 1 10 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.859 0.193 17645 4048 1 10 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.615 0.615 17645 4049 1 10 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.448 0.782 17645 4050 1 10 . 1 1 73 73 GLU H H 88 8.376 8.376 7.911 0.465 17645 4051 1 10 . 1 1 74 74 ASP N N 89 122.193 122.193 118.727 3.466 17645 4052 1 10 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.441 -0.030 17645 4053 1 10 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.188 0.722 17645 4054 1 10 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.908 -0.328 17645 4055 1 10 . 1 1 74 74 ASP H H 89 8.734 8.734 7.841 0.893 17645 4056 1 10 . 1 1 75 75 LEU N N 90 123.280 123.280 122.369 0.911 17645 4057 1 10 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.967 0.323 17645 4058 1 10 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.971 0.589 17645 4059 1 10 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.874 0.156 17645 4060 1 10 . 1 1 75 75 LEU H H 90 7.986 7.986 7.334 0.652 17645 4061 1 10 . 1 1 76 76 LEU N N 91 120.488 120.488 118.341 2.147 17645 4062 1 10 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.692 0.146 17645 4063 1 10 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.326 0.874 17645 4064 1 10 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.841 0.669 17645 4065 1 10 . 1 1 76 76 LEU H H 91 8.280 8.280 8.272 0.008 17645 4066 1 10 . 1 1 77 77 SER N N 92 113.817 113.817 115.468 -1.651 17645 4067 1 10 . 1 1 77 77 SER HA H 92 4.235 4.235 4.236 -0.001 17645 4068 1 10 . 1 1 77 77 SER CA C 92 62.200 62.200 61.581 0.619 17645 4069 1 10 . 1 1 77 77 SER CB C 92 63.440 63.440 62.590 0.850 17645 4070 1 10 . 1 1 77 77 SER H H 92 8.219 8.219 7.987 0.232 17645 4071 1 10 . 1 1 78 78 ALA N N 93 124.902 124.902 124.929 -0.027 17645 4072 1 10 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.061 0.105 17645 4073 1 10 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.770 1.090 17645 4074 1 10 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.212 0.548 17645 4075 1 10 . 1 1 78 78 ALA H H 93 7.949 7.949 7.642 0.307 17645 4076 1 10 . 1 1 79 79 LEU N N 94 120.602 120.602 119.388 1.214 17645 4077 1 10 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.790 0.277 17645 4078 1 10 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.047 0.423 17645 4079 1 10 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.821 0.789 17645 4080 1 10 . 1 1 79 79 LEU H H 94 8.587 8.587 8.107 0.480 17645 4081 1 10 . 1 1 80 80 GLN N N 95 119.525 119.525 118.297 1.228 17645 4082 1 10 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.942 0.106 17645 4083 1 10 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.478 0.112 17645 4084 1 10 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.289 0.551 17645 4085 1 10 . 1 1 80 80 GLN H H 95 8.561 8.561 8.567 -0.006 17645 4086 1 10 . 1 1 81 81 LYS N N 96 121.075 121.075 118.328 2.747 17645 4087 1 10 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.057 0.080 17645 4088 1 10 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.272 0.778 17645 4089 1 10 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.080 0.860 17645 4090 1 10 . 1 1 81 81 LYS H H 96 8.003 8.003 7.778 0.225 17645 4091 1 10 . 1 1 82 82 LYS N N 97 121.415 121.415 119.927 1.488 17645 4092 1 10 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.045 0.080 17645 4093 1 10 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.766 0.204 17645 4094 1 10 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.336 0.784 17645 4095 1 10 . 1 1 82 82 LYS H H 97 7.903 7.903 7.392 0.511 17645 4096 1 10 . 1 1 83 83 LYS N N 98 121.081 121.081 117.732 3.349 17645 4097 1 10 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.040 -0.058 17645 4098 1 10 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.008 1.002 17645 4099 1 10 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.780 1.340 17645 4100 1 10 . 1 1 83 83 LYS H H 98 8.202 8.202 8.049 0.153 17645 4101 1 10 . 1 1 84 84 GLN N N 99 119.576 119.576 118.139 1.437 17645 4102 1 10 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.068 0.056 17645 4103 1 10 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.096 1.714 17645 4104 1 10 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.930 0.030 17645 4105 1 10 . 1 1 84 84 GLN H H 99 8.125 8.125 8.025 0.100 17645 4106 1 10 . 1 1 85 85 GLN N N 100 120.009 120.009 116.523 3.486 17645 4107 1 10 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.218 -0.097 17645 4108 1 10 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.352 2.238 17645 4109 1 10 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.439 -0.419 17645 4110 1 10 . 1 1 85 85 GLN H H 100 8.341 8.341 7.655 0.686 17645 4111 1 10 . 1 1 86 86 GLU N N 101 121.718 121.718 119.507 2.211 17645 4112 1 10 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.174 -0.039 17645 4113 1 10 . 1 1 86 86 GLU CA C 101 60.430 60.430 56.389 4.041 17645 4114 1 10 . 1 1 86 86 GLU CB C 101 30.140 30.140 30.695 -0.555 17645 4115 1 10 . 1 1 86 86 GLU H H 101 8.275 8.275 8.098 0.177 17645 4116 1 10 . 1 1 87 87 GLU N N 102 121.412 121.412 119.325 2.087 17645 4117 1 10 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.245 -0.129 17645 4118 1 10 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.932 3.028 17645 4119 1 10 . 1 1 87 87 GLU CB C 102 30.290 30.290 29.622 0.668 17645 4120 1 10 . 1 1 87 87 GLU H H 102 8.330 8.330 8.523 -0.193 17645 4121 1 11 . 1 1 2 2 GLY N N 17 110.356 110.356 108.578 1.778 17645 4122 1 11 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.599 0.011 17645 4123 1 11 . 1 1 2 2 GLY H H 17 8.065 8.065 7.824 0.241 17645 4124 1 11 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.660 -0.267 17645 4125 1 11 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.194 2.476 17645 4126 1 11 . 1 1 3 3 PRO CB C 18 32.700 32.700 30.088 2.612 17645 4127 1 11 . 1 1 4 4 GLY CA C 19 46.730 46.730 46.169 0.561 17645 4128 1 11 . 1 1 5 5 SER HA H 20 4.192 4.192 4.129 0.063 17645 4129 1 11 . 1 1 5 5 SER CA C 20 60.960 60.960 61.088 -0.128 17645 4130 1 11 . 1 1 5 5 SER CB C 20 64.250 64.250 62.238 2.012 17645 4131 1 11 . 1 1 6 6 LEU N N 21 122.731 122.731 121.856 0.875 17645 4132 1 11 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.981 0.139 17645 4133 1 11 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.413 0.307 17645 4134 1 11 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.559 1.411 17645 4135 1 11 . 1 1 6 6 LEU H H 21 8.052 8.052 7.564 0.488 17645 4136 1 11 . 1 1 7 7 VAL N N 22 119.948 119.948 119.749 0.199 17645 4137 1 11 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.544 0.209 17645 4138 1 11 . 1 1 7 7 VAL CA C 22 65.350 65.350 67.012 -1.662 17645 4139 1 11 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.232 1.368 17645 4140 1 11 . 1 1 7 7 VAL H H 22 7.676 7.676 7.828 -0.152 17645 4141 1 11 . 1 1 8 8 LYS N N 23 122.400 122.400 119.998 2.402 17645 4142 1 11 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.077 0.110 17645 4143 1 11 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.020 -0.190 17645 4144 1 11 . 1 1 8 8 LYS CB C 23 32.560 32.560 31.892 0.668 17645 4145 1 11 . 1 1 8 8 LYS H H 23 7.830 7.830 7.541 0.289 17645 4146 1 11 . 1 1 9 9 VAL N N 24 121.205 121.205 118.108 3.097 17645 4147 1 11 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.728 0.098 17645 4148 1 11 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.990 -0.130 17645 4149 1 11 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.573 0.877 17645 4150 1 11 . 1 1 9 9 VAL H H 24 8.194 8.194 7.673 0.521 17645 4151 1 11 . 1 1 10 10 GLY N N 25 107.900 107.900 106.432 1.468 17645 4152 1 11 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.547 0.113 17645 4153 1 11 . 1 1 10 10 GLY H H 25 8.446 8.446 8.394 0.052 17645 4154 1 11 . 1 1 11 11 THR N N 26 116.800 116.800 119.497 -2.697 17645 4155 1 11 . 1 1 11 11 THR HA H 26 4.109 4.109 3.929 0.180 17645 4156 1 11 . 1 1 11 11 THR CA C 26 66.300 66.300 66.692 -0.392 17645 4157 1 11 . 1 1 11 11 THR CB C 26 69.690 69.690 68.290 1.400 17645 4158 1 11 . 1 1 11 11 THR H H 26 7.992 7.992 8.230 -0.238 17645 4159 1 11 . 1 1 12 12 LEU N N 27 123.983 123.983 122.183 1.800 17645 4160 1 11 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.946 0.181 17645 4161 1 11 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.070 0.400 17645 4162 1 11 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.568 1.242 17645 4163 1 11 . 1 1 12 12 LEU H H 27 7.934 7.934 8.058 -0.124 17645 4164 1 11 . 1 1 13 13 LYS N N 28 117.513 117.513 119.151 -1.638 17645 4165 1 11 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.920 -0.017 17645 4166 1 11 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.752 0.398 17645 4167 1 11 . 1 1 13 13 LYS CB C 28 32.730 32.730 31.911 0.819 17645 4168 1 11 . 1 1 13 13 LYS H H 28 7.824 7.824 7.779 0.045 17645 4169 1 11 . 1 1 14 14 LYS N N 29 119.275 119.275 119.277 -0.002 17645 4170 1 11 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.005 0.146 17645 4171 1 11 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.369 0.091 17645 4172 1 11 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.224 0.526 17645 4173 1 11 . 1 1 14 14 LYS H H 29 7.685 7.685 7.709 -0.024 17645 4174 1 11 . 1 1 15 15 ARG N N 30 119.090 119.090 120.024 -0.934 17645 4175 1 11 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.720 0.340 17645 4176 1 11 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.711 0.319 17645 4177 1 11 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.774 0.736 17645 4178 1 11 . 1 1 15 15 ARG H H 30 7.709 7.709 7.586 0.123 17645 4179 1 11 . 1 1 16 16 LEU N N 31 118.473 118.473 120.935 -2.462 17645 4180 1 11 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.190 -0.213 17645 4181 1 11 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.181 -0.101 17645 4182 1 11 . 1 1 16 16 LEU CB C 31 41.320 41.320 40.906 0.414 17645 4183 1 11 . 1 1 16 16 LEU H H 31 7.595 7.595 8.445 -0.850 17645 4184 1 11 . 1 1 17 17 ASP N N 32 120.020 120.020 118.430 1.590 17645 4185 1 11 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.233 0.206 17645 4186 1 11 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.747 0.233 17645 4187 1 11 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.988 -0.108 17645 4188 1 11 . 1 1 17 17 ASP H H 32 7.858 7.858 7.824 0.034 17645 4189 1 11 . 1 1 18 18 LYS N N 33 119.708 119.708 120.429 -0.721 17645 4190 1 11 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.960 0.238 17645 4191 1 11 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.407 0.063 17645 4192 1 11 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.547 0.643 17645 4193 1 11 . 1 1 18 18 LYS H H 33 7.564 7.564 7.446 0.118 17645 4194 1 11 . 1 1 19 19 PHE N N 34 118.256 118.256 117.545 0.711 17645 4195 1 11 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.204 0.047 17645 4196 1 11 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.474 0.236 17645 4197 1 11 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.755 0.995 17645 4198 1 11 . 1 1 19 19 PHE H H 34 7.884 7.884 7.398 0.486 17645 4199 1 11 . 1 1 20 20 ASN N N 35 117.779 117.779 117.947 -0.168 17645 4200 1 11 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.442 0.018 17645 4201 1 11 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.618 0.731 17645 4202 1 11 . 1 1 20 20 ASN CB C 35 39.000 39.000 37.904 1.096 17645 4203 1 11 . 1 1 20 20 ASN H H 35 8.054 8.054 8.206 -0.152 17645 4204 1 11 . 1 1 21 21 GLU N N 36 120.312 120.312 120.732 -0.420 17645 4205 1 11 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.114 -0.008 17645 4206 1 11 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.610 0.160 17645 4207 1 11 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.499 1.011 17645 4208 1 11 . 1 1 21 21 GLU H H 36 7.983 7.983 7.764 0.219 17645 4209 1 11 . 1 1 22 22 VAL N N 37 119.756 119.756 119.265 0.491 17645 4210 1 11 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.750 0.092 17645 4211 1 11 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.273 -0.163 17645 4212 1 11 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.634 1.046 17645 4213 1 11 . 1 1 22 22 VAL H H 37 7.670 7.670 7.763 -0.093 17645 4214 1 11 . 1 1 23 23 VAL N N 38 118.300 118.300 118.673 -0.373 17645 4215 1 11 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.654 0.023 17645 4216 1 11 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.579 -0.028 17645 4217 1 11 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.738 0.742 17645 4218 1 11 . 1 1 23 23 VAL H H 38 8.159 8.159 8.468 -0.309 17645 4219 1 11 . 1 1 24 24 SER N N 39 113.952 113.952 116.047 -2.095 17645 4220 1 11 . 1 1 24 24 SER HA H 39 4.170 4.170 4.114 0.056 17645 4221 1 11 . 1 1 24 24 SER CA C 39 61.880 61.880 61.848 0.032 17645 4222 1 11 . 1 1 24 24 SER CB C 39 63.740 63.740 63.080 0.660 17645 4223 1 11 . 1 1 24 24 SER H H 39 7.773 7.773 8.331 -0.558 17645 4224 1 11 . 1 1 25 25 ALA N N 40 122.572 122.572 122.451 0.121 17645 4225 1 11 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.196 0.229 17645 4226 1 11 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.945 -1.065 17645 4227 1 11 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.543 1.907 17645 4228 1 11 . 1 1 25 25 ALA H H 40 7.436 7.436 7.695 -0.259 17645 4229 1 11 . 1 1 26 26 LEU N N 41 120.677 120.677 118.147 2.530 17645 4230 1 11 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.107 0.274 17645 4231 1 11 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.488 -0.628 17645 4232 1 11 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.359 0.831 17645 4233 1 11 . 1 1 26 26 LEU H H 41 7.499 7.499 7.658 -0.159 17645 4234 1 11 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.915 0.370 17645 4235 1 11 . 1 1 27 27 LYS CA C 42 58.250 58.250 58.053 0.197 17645 4236 1 11 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.867 3.002 17645 4237 1 11 . 1 1 28 28 ASP N N 43 120.989 120.989 118.289 2.700 17645 4238 1 11 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.745 0.056 17645 4239 1 11 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.136 1.424 17645 4240 1 11 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.150 0.290 17645 4241 1 11 . 1 1 28 28 ASP H H 43 8.513 8.513 7.728 0.785 17645 4242 1 11 . 1 1 29 29 GLY N N 44 108.379 108.379 111.133 -2.754 17645 4243 1 11 . 1 1 29 29 GLY CA C 44 46.540 46.540 46.032 0.508 17645 4244 1 11 . 1 1 29 29 GLY H H 44 8.425 8.425 8.603 -0.178 17645 4245 1 11 . 1 1 30 30 LYS N N 45 119.932 119.932 119.673 0.259 17645 4246 1 11 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.158 -0.079 17645 4247 1 11 . 1 1 30 30 LYS CA C 45 60.520 60.520 60.275 0.245 17645 4248 1 11 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.599 0.471 17645 4249 1 11 . 1 1 30 30 LYS H H 45 8.269 8.269 8.513 -0.244 17645 4250 1 11 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.277 0.031 17645 4251 1 11 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.999 1.040 17645 4252 1 11 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.062 0.758 17645 4253 1 11 . 1 1 32 32 GLU N N 47 118.526 118.526 118.172 0.354 17645 4254 1 11 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.084 0.049 17645 4255 1 11 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.097 1.073 17645 4256 1 11 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.680 1.230 17645 4257 1 11 . 1 1 32 32 GLU H H 47 8.189 8.189 8.625 -0.436 17645 4258 1 11 . 1 1 33 33 VAL N N 48 120.183 120.183 120.948 -0.765 17645 4259 1 11 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.624 0.288 17645 4260 1 11 . 1 1 33 33 VAL CA C 48 66.300 66.300 65.858 0.442 17645 4261 1 11 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.870 0.490 17645 4262 1 11 . 1 1 33 33 VAL H H 48 7.744 7.744 8.044 -0.300 17645 4263 1 11 . 1 1 34 34 ASN N N 49 119.700 119.700 117.752 1.948 17645 4264 1 11 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.449 0.001 17645 4265 1 11 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.217 0.834 17645 4266 1 11 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.788 0.862 17645 4267 1 11 . 1 1 34 34 ASN H H 49 8.582 8.582 8.658 -0.076 17645 4268 1 11 . 1 1 35 35 ARG N N 50 121.009 121.009 120.767 0.242 17645 4269 1 11 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.032 0.105 17645 4270 1 11 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.483 0.287 17645 4271 1 11 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.381 0.389 17645 4272 1 11 . 1 1 35 35 ARG H H 50 7.848 7.848 7.858 -0.010 17645 4273 1 11 . 1 1 36 36 GLN N N 51 119.394 119.394 119.207 0.187 17645 4274 1 11 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.108 -0.045 17645 4275 1 11 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.665 1.345 17645 4276 1 11 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.528 1.242 17645 4277 1 11 . 1 1 36 36 GLN H H 51 7.685 7.685 7.951 -0.266 17645 4278 1 11 . 1 1 37 37 ILE N N 52 122.006 122.006 121.018 0.988 17645 4279 1 11 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.629 -0.175 17645 4280 1 11 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.500 0.800 17645 4281 1 11 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.658 1.242 17645 4282 1 11 . 1 1 37 37 ILE H H 52 8.293 8.293 8.825 -0.532 17645 4283 1 11 . 1 1 38 38 LYS N N 53 121.163 121.163 120.377 0.786 17645 4284 1 11 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.965 0.206 17645 4285 1 11 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.738 -0.688 17645 4286 1 11 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.112 -0.182 17645 4287 1 11 . 1 1 38 38 LYS H H 53 8.169 8.169 7.875 0.294 17645 4288 1 11 . 1 1 39 39 ASN N N 54 117.219 117.219 118.515 -1.296 17645 4289 1 11 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.407 0.076 17645 4290 1 11 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.965 0.645 17645 4291 1 11 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.857 0.583 17645 4292 1 11 . 1 1 39 39 ASN H H 54 8.171 8.171 7.811 0.360 17645 4293 1 11 . 1 1 40 40 LEU N N 55 123.907 123.907 120.252 3.655 17645 4294 1 11 . 1 1 40 40 LEU HA H 55 4.205 4.205 3.959 0.246 17645 4295 1 11 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.294 0.546 17645 4296 1 11 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.048 1.022 17645 4297 1 11 . 1 1 40 40 LEU H H 55 7.702 7.702 7.931 -0.229 17645 4298 1 11 . 1 1 41 41 GLU N N 56 121.779 121.779 117.666 4.113 17645 4299 1 11 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.968 -0.266 17645 4300 1 11 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.576 1.874 17645 4301 1 11 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.637 0.693 17645 4302 1 11 . 1 1 41 41 GLU H H 56 8.442 8.442 7.897 0.545 17645 4303 1 11 . 1 1 42 42 ILE N N 57 119.133 119.133 119.583 -0.450 17645 4304 1 11 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.899 -0.016 17645 4305 1 11 . 1 1 42 42 ILE CA C 57 65.550 65.550 62.866 2.684 17645 4306 1 11 . 1 1 42 42 ILE CB C 57 38.950 38.950 36.599 2.351 17645 4307 1 11 . 1 1 42 42 ILE H H 57 8.531 8.531 7.739 0.792 17645 4308 1 11 . 1 1 43 43 SER N N 58 118.622 118.622 116.864 1.758 17645 4309 1 11 . 1 1 43 43 SER HA H 58 4.322 4.322 4.058 0.264 17645 4310 1 11 . 1 1 43 43 SER CA C 58 62.940 62.940 62.188 0.752 17645 4311 1 11 . 1 1 43 43 SER CB C 58 63.500 63.500 63.157 0.343 17645 4312 1 11 . 1 1 43 43 SER H H 58 8.027 8.027 7.784 0.243 17645 4313 1 11 . 1 1 44 44 ILE N N 59 126.416 126.416 121.996 4.420 17645 4314 1 11 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.617 0.011 17645 4315 1 11 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.755 1.155 17645 4316 1 11 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.765 1.395 17645 4317 1 11 . 1 1 44 44 ILE H H 59 8.543 8.543 8.135 0.408 17645 4318 1 11 . 1 1 45 45 ASP N N 60 121.563 121.563 119.521 2.042 17645 4319 1 11 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.249 0.158 17645 4320 1 11 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.423 0.857 17645 4321 1 11 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.740 0.019 17645 4322 1 11 . 1 1 45 45 ASP H H 60 8.406 8.406 7.860 0.546 17645 4323 1 11 . 1 1 46 46 ALA N N 61 123.500 123.500 122.630 0.870 17645 4324 1 11 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.046 0.156 17645 4325 1 11 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.114 0.596 17645 4326 1 11 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.449 0.211 17645 4327 1 11 . 1 1 46 46 ALA H H 61 8.538 8.538 8.073 0.465 17645 4328 1 11 . 1 1 47 47 LEU N N 62 121.942 121.942 119.711 2.231 17645 4329 1 11 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.894 0.400 17645 4330 1 11 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.663 -0.003 17645 4331 1 11 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.844 -0.704 17645 4332 1 11 . 1 1 47 47 LEU H H 62 7.801 7.801 7.799 0.002 17645 4333 1 11 . 1 1 48 48 MET N N 63 118.068 118.068 118.728 -0.660 17645 4334 1 11 . 1 1 48 48 MET HA H 63 3.945 3.945 3.871 0.074 17645 4335 1 11 . 1 1 48 48 MET CA C 63 60.330 60.330 59.265 1.065 17645 4336 1 11 . 1 1 48 48 MET CB C 63 33.110 33.110 32.434 0.676 17645 4337 1 11 . 1 1 48 48 MET H H 63 8.261 8.261 7.793 0.468 17645 4338 1 11 . 1 1 49 49 ALA N N 64 120.428 120.428 118.682 1.746 17645 4339 1 11 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.050 0.051 17645 4340 1 11 . 1 1 49 49 ALA CA C 64 55.770 55.770 55.018 0.752 17645 4341 1 11 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.073 0.697 17645 4342 1 11 . 1 1 49 49 ALA H H 64 8.045 8.045 7.975 0.070 17645 4343 1 11 . 1 1 50 50 LYS N N 65 121.947 121.947 118.353 3.594 17645 4344 1 11 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.297 -0.258 17645 4345 1 11 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.783 1.737 17645 4346 1 11 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.765 0.915 17645 4347 1 11 . 1 1 50 50 LYS H H 65 8.063 8.063 7.841 0.222 17645 4348 1 11 . 1 1 51 51 ILE N N 66 121.189 121.189 118.732 2.457 17645 4349 1 11 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.923 -0.173 17645 4350 1 11 . 1 1 51 51 ILE CA C 66 65.740 65.740 63.227 2.514 17645 4351 1 11 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.151 1.969 17645 4352 1 11 . 1 1 51 51 ILE H H 66 8.437 8.437 8.335 0.102 17645 4353 1 11 . 1 1 52 52 LYS N N 67 117.119 117.119 118.191 -1.072 17645 4354 1 11 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.359 -0.223 17645 4355 1 11 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.363 1.847 17645 4356 1 11 . 1 1 52 52 LYS CB C 67 33.680 33.680 32.930 0.750 17645 4357 1 11 . 1 1 52 52 LYS H H 67 7.622 7.622 7.902 -0.280 17645 4358 1 11 . 1 1 53 53 SER N N 68 111.824 111.824 114.362 -2.538 17645 4359 1 11 . 1 1 53 53 SER HA H 68 4.602 4.602 4.531 0.071 17645 4360 1 11 . 1 1 53 53 SER CA C 68 59.960 59.960 58.765 1.195 17645 4361 1 11 . 1 1 53 53 SER CB C 68 65.750 65.750 63.153 2.597 17645 4362 1 11 . 1 1 53 53 SER H H 68 7.750 7.750 7.786 -0.036 17645 4363 1 11 . 1 1 54 54 THR N N 69 115.916 115.916 111.036 4.880 17645 4364 1 11 . 1 1 54 54 THR HA H 69 4.596 4.596 4.307 0.289 17645 4365 1 11 . 1 1 54 54 THR CA C 69 62.460 62.460 61.436 1.024 17645 4366 1 11 . 1 1 54 54 THR CB C 69 71.650 71.650 70.317 1.333 17645 4367 1 11 . 1 1 54 54 THR H H 69 7.972 7.972 7.137 0.835 17645 4368 1 11 . 1 1 55 55 MET N N 70 121.343 121.343 123.121 -1.778 17645 4369 1 11 . 1 1 55 55 MET HA H 70 4.551 4.551 4.345 0.206 17645 4370 1 11 . 1 1 55 55 MET CA C 70 56.050 56.050 55.184 0.866 17645 4371 1 11 . 1 1 55 55 MET CB C 70 32.500 32.500 31.547 0.953 17645 4372 1 11 . 1 1 55 55 MET H H 70 8.306 8.306 8.740 -0.434 17645 4373 1 11 . 1 1 56 56 MET N N 71 123.196 123.196 123.967 -0.771 17645 4374 1 11 . 1 1 56 56 MET HA H 71 4.706 4.706 4.455 0.251 17645 4375 1 11 . 1 1 56 56 MET CA C 71 55.860 55.860 54.119 1.741 17645 4376 1 11 . 1 1 56 56 MET CB C 71 37.620 37.620 32.675 4.945 17645 4377 1 11 . 1 1 56 56 MET H H 71 8.114 8.114 8.115 -0.001 17645 4378 1 11 . 1 1 57 57 THR N N 72 113.158 113.158 119.962 -6.804 17645 4379 1 11 . 1 1 57 57 THR HA H 72 4.483 4.483 4.429 0.054 17645 4380 1 11 . 1 1 57 57 THR CA C 72 61.080 61.080 61.711 -0.631 17645 4381 1 11 . 1 1 57 57 THR CB C 72 71.670 71.670 69.989 1.681 17645 4382 1 11 . 1 1 57 57 THR H H 72 8.486 8.486 8.413 0.073 17645 4383 1 11 . 1 1 58 58 ARG N N 73 121.911 121.911 124.710 -2.799 17645 4384 1 11 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.882 0.027 17645 4385 1 11 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.577 -0.056 17645 4386 1 11 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.960 0.370 17645 4387 1 11 . 1 1 58 58 ARG H H 73 8.961 8.961 8.937 0.024 17645 4388 1 11 . 1 1 59 59 GLU N N 74 118.955 118.955 118.304 0.651 17645 4389 1 11 . 1 1 59 59 GLU HA H 74 4.032 4.032 3.988 0.044 17645 4390 1 11 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.816 1.074 17645 4391 1 11 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.928 1.032 17645 4392 1 11 . 1 1 59 59 GLU H H 74 8.833 8.833 8.787 0.046 17645 4393 1 11 . 1 1 60 60 GLN N N 75 121.077 121.077 118.158 2.919 17645 4394 1 11 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.121 -0.131 17645 4395 1 11 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.611 0.789 17645 4396 1 11 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.354 1.036 17645 4397 1 11 . 1 1 60 60 GLN H H 75 7.801 7.801 7.565 0.236 17645 4398 1 11 . 1 1 61 61 ILE N N 76 120.016 120.016 120.055 -0.039 17645 4399 1 11 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.901 -0.472 17645 4400 1 11 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.354 3.506 17645 4401 1 11 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.593 2.117 17645 4402 1 11 . 1 1 61 61 ILE H H 76 8.250 8.250 7.619 0.631 17645 4403 1 11 . 1 1 62 62 GLN N N 77 119.153 119.153 120.426 -1.273 17645 4404 1 11 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.004 -0.237 17645 4405 1 11 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.483 0.288 17645 4406 1 11 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.578 0.502 17645 4407 1 11 . 1 1 62 62 GLN H H 77 8.295 8.295 8.008 0.287 17645 4408 1 11 . 1 1 63 63 LYS N N 78 118.200 118.200 119.189 -0.989 17645 4409 1 11 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.092 0.062 17645 4410 1 11 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.235 0.915 17645 4411 1 11 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.177 1.133 17645 4412 1 11 . 1 1 63 63 LYS H H 78 7.839 7.839 7.826 0.013 17645 4413 1 11 . 1 1 64 64 GLU N N 79 120.133 120.133 119.188 0.945 17645 4414 1 11 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.020 0.122 17645 4415 1 11 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.505 0.825 17645 4416 1 11 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.454 1.156 17645 4417 1 11 . 1 1 64 64 GLU H H 79 7.899 7.899 8.006 -0.107 17645 4418 1 11 . 1 1 65 65 TYR N N 80 122.505 122.505 119.790 2.715 17645 4419 1 11 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.206 -0.264 17645 4420 1 11 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.340 1.420 17645 4421 1 11 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.494 0.976 17645 4422 1 11 . 1 1 65 65 TYR H H 80 9.023 9.023 8.189 0.834 17645 4423 1 11 . 1 1 66 66 ASP N N 81 120.497 120.497 119.733 0.764 17645 4424 1 11 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.418 -0.201 17645 4425 1 11 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.271 0.829 17645 4426 1 11 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.612 0.028 17645 4427 1 11 . 1 1 66 66 ASP H H 81 9.089 9.089 7.883 1.206 17645 4428 1 11 . 1 1 67 67 ALA N N 82 122.397 122.397 122.257 0.140 17645 4429 1 11 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.101 0.086 17645 4430 1 11 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.097 0.733 17645 4431 1 11 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.453 0.468 17645 4432 1 11 . 1 1 67 67 ALA H H 82 7.636 7.636 8.194 -0.558 17645 4433 1 11 . 1 1 68 68 LEU N N 83 121.806 121.806 118.386 3.420 17645 4434 1 11 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.050 0.095 17645 4435 1 11 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.789 0.491 17645 4436 1 11 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.876 0.984 17645 4437 1 11 . 1 1 68 68 LEU H H 83 7.727 7.727 7.649 0.078 17645 4438 1 11 . 1 1 69 69 VAL N N 84 123.560 123.560 119.466 4.094 17645 4439 1 11 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.539 -0.234 17645 4440 1 11 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.172 1.868 17645 4441 1 11 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.468 1.722 17645 4442 1 11 . 1 1 69 69 VAL H H 84 8.560 8.560 7.850 0.710 17645 4443 1 11 . 1 1 70 70 LYS N N 85 121.398 121.398 120.927 0.471 17645 4444 1 11 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.058 0.034 17645 4445 1 11 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.724 0.526 17645 4446 1 11 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.359 0.401 17645 4447 1 11 . 1 1 70 70 LYS H H 85 7.956 7.956 8.293 -0.337 17645 4448 1 11 . 1 1 71 71 SER N N 86 114.825 114.825 115.843 -1.018 17645 4449 1 11 . 1 1 71 71 SER HA H 86 4.298 4.298 4.156 0.142 17645 4450 1 11 . 1 1 71 71 SER CA C 86 62.810 62.810 61.175 1.635 17645 4451 1 11 . 1 1 71 71 SER CB C 86 63.640 63.640 62.846 0.794 17645 4452 1 11 . 1 1 71 71 SER H H 86 8.284 8.284 7.924 0.360 17645 4453 1 11 . 1 1 72 72 SER N N 87 118.845 118.845 118.256 0.589 17645 4454 1 11 . 1 1 72 72 SER HA H 87 4.269 4.269 3.935 0.334 17645 4455 1 11 . 1 1 72 72 SER CA C 87 62.940 62.940 61.996 0.944 17645 4456 1 11 . 1 1 72 72 SER CB C 87 63.870 63.870 63.004 0.866 17645 4457 1 11 . 1 1 72 72 SER H H 87 8.421 8.421 8.290 0.131 17645 4458 1 11 . 1 1 73 73 GLU N N 88 124.809 124.809 120.884 3.925 17645 4459 1 11 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.950 0.102 17645 4460 1 11 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.685 0.545 17645 4461 1 11 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.261 0.969 17645 4462 1 11 . 1 1 73 73 GLU H H 88 8.376 8.376 7.820 0.556 17645 4463 1 11 . 1 1 74 74 ASP N N 89 122.193 122.193 119.741 2.452 17645 4464 1 11 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.417 -0.006 17645 4465 1 11 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.763 1.147 17645 4466 1 11 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.993 -0.413 17645 4467 1 11 . 1 1 74 74 ASP H H 89 8.734 8.734 7.714 1.020 17645 4468 1 11 . 1 1 75 75 LEU N N 90 123.280 123.280 121.413 1.867 17645 4469 1 11 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.957 0.333 17645 4470 1 11 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.848 0.712 17645 4471 1 11 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.832 0.198 17645 4472 1 11 . 1 1 75 75 LEU H H 90 7.986 7.986 7.400 0.586 17645 4473 1 11 . 1 1 76 76 LEU N N 91 120.488 120.488 118.595 1.893 17645 4474 1 11 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.757 0.081 17645 4475 1 11 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.222 0.978 17645 4476 1 11 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.995 0.515 17645 4477 1 11 . 1 1 76 76 LEU H H 91 8.280 8.280 7.817 0.463 17645 4478 1 11 . 1 1 77 77 SER N N 92 113.817 113.817 114.377 -0.560 17645 4479 1 11 . 1 1 77 77 SER HA H 92 4.235 4.235 4.040 0.195 17645 4480 1 11 . 1 1 77 77 SER CA C 92 62.200 62.200 61.724 0.476 17645 4481 1 11 . 1 1 77 77 SER CB C 92 63.440 63.440 62.773 0.667 17645 4482 1 11 . 1 1 77 77 SER H H 92 8.219 8.219 7.850 0.369 17645 4483 1 11 . 1 1 78 78 ALA N N 93 124.902 124.902 124.111 0.791 17645 4484 1 11 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.077 0.089 17645 4485 1 11 . 1 1 78 78 ALA CA C 93 55.860 55.860 55.075 0.785 17645 4486 1 11 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.147 0.613 17645 4487 1 11 . 1 1 78 78 ALA H H 93 7.949 7.949 7.539 0.410 17645 4488 1 11 . 1 1 79 79 LEU N N 94 120.602 120.602 118.892 1.710 17645 4489 1 11 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.802 0.265 17645 4490 1 11 . 1 1 79 79 LEU CA C 94 58.470 58.470 57.680 0.790 17645 4491 1 11 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.406 1.204 17645 4492 1 11 . 1 1 79 79 LEU H H 94 8.587 8.587 7.976 0.611 17645 4493 1 11 . 1 1 80 80 GLN N N 95 119.525 119.525 119.297 0.228 17645 4494 1 11 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.924 0.124 17645 4495 1 11 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.868 -0.278 17645 4496 1 11 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.359 0.481 17645 4497 1 11 . 1 1 80 80 GLN H H 95 8.561 8.561 8.586 -0.025 17645 4498 1 11 . 1 1 81 81 LYS N N 96 121.075 121.075 119.055 2.020 17645 4499 1 11 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.907 0.230 17645 4500 1 11 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.556 0.494 17645 4501 1 11 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.164 0.776 17645 4502 1 11 . 1 1 81 81 LYS H H 96 8.003 8.003 7.769 0.234 17645 4503 1 11 . 1 1 82 82 LYS N N 97 121.415 121.415 119.718 1.697 17645 4504 1 11 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.935 0.190 17645 4505 1 11 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.737 0.233 17645 4506 1 11 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.392 0.728 17645 4507 1 11 . 1 1 82 82 LYS H H 97 7.903 7.903 7.734 0.169 17645 4508 1 11 . 1 1 83 83 LYS N N 98 121.081 121.081 119.619 1.462 17645 4509 1 11 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.063 -0.081 17645 4510 1 11 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.211 0.799 17645 4511 1 11 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.326 0.794 17645 4512 1 11 . 1 1 83 83 LYS H H 98 8.202 8.202 8.308 -0.106 17645 4513 1 11 . 1 1 84 84 GLN N N 99 119.576 119.576 117.747 1.829 17645 4514 1 11 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.079 0.045 17645 4515 1 11 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.289 1.521 17645 4516 1 11 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.787 0.173 17645 4517 1 11 . 1 1 84 84 GLN H H 99 8.125 8.125 8.351 -0.226 17645 4518 1 11 . 1 1 85 85 GLN N N 100 120.009 120.009 117.477 2.532 17645 4519 1 11 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.129 -0.008 17645 4520 1 11 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.994 2.596 17645 4521 1 11 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.464 -0.444 17645 4522 1 11 . 1 1 85 85 GLN H H 100 8.341 8.341 7.625 0.716 17645 4523 1 11 . 1 1 86 86 GLU N N 101 121.718 121.718 116.955 4.763 17645 4524 1 11 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.050 0.085 17645 4525 1 11 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.814 2.616 17645 4526 1 11 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.901 0.239 17645 4527 1 11 . 1 1 86 86 GLU H H 101 8.275 8.275 7.986 0.289 17645 4528 1 11 . 1 1 87 87 GLU N N 102 121.412 121.412 118.118 3.294 17645 4529 1 11 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.443 -0.327 17645 4530 1 11 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.505 3.455 17645 4531 1 11 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.613 -0.323 17645 4532 1 11 . 1 1 87 87 GLU H H 102 8.330 8.330 8.618 -0.288 17645 4533 1 12 . 1 1 2 2 GLY N N 17 110.356 110.356 109.881 0.475 17645 4534 1 12 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.746 0.864 17645 4535 1 12 . 1 1 2 2 GLY H H 17 8.065 8.065 8.356 -0.291 17645 4536 1 12 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.651 -0.258 17645 4537 1 12 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.819 1.851 17645 4538 1 12 . 1 1 3 3 PRO CB C 18 32.700 32.700 33.012 -0.312 17645 4539 1 12 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.816 0.914 17645 4540 1 12 . 1 1 5 5 SER HA H 20 4.192 4.192 4.622 -0.430 17645 4541 1 12 . 1 1 5 5 SER CA C 20 60.960 60.960 58.256 2.704 17645 4542 1 12 . 1 1 5 5 SER CB C 20 64.250 64.250 63.316 0.934 17645 4543 1 12 . 1 1 6 6 LEU N N 21 122.731 122.731 123.172 -0.441 17645 4544 1 12 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.005 0.115 17645 4545 1 12 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.976 -0.256 17645 4546 1 12 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.800 1.170 17645 4547 1 12 . 1 1 6 6 LEU H H 21 8.052 8.052 8.191 -0.139 17645 4548 1 12 . 1 1 7 7 VAL N N 22 119.948 119.948 118.746 1.202 17645 4549 1 12 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.682 0.071 17645 4550 1 12 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.143 -0.793 17645 4551 1 12 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.476 1.124 17645 4552 1 12 . 1 1 7 7 VAL H H 22 7.676 7.676 7.997 -0.321 17645 4553 1 12 . 1 1 8 8 LYS N N 23 122.400 122.400 119.741 2.659 17645 4554 1 12 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.134 0.053 17645 4555 1 12 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.694 -0.864 17645 4556 1 12 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.435 0.125 17645 4557 1 12 . 1 1 8 8 LYS H H 23 7.830 7.830 7.603 0.227 17645 4558 1 12 . 1 1 9 9 VAL N N 24 121.205 121.205 117.804 3.401 17645 4559 1 12 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.549 0.277 17645 4560 1 12 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.528 0.333 17645 4561 1 12 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.313 1.137 17645 4562 1 12 . 1 1 9 9 VAL H H 24 8.194 8.194 8.050 0.144 17645 4563 1 12 . 1 1 10 10 GLY N N 25 107.900 107.900 106.959 0.941 17645 4564 1 12 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.330 0.330 17645 4565 1 12 . 1 1 10 10 GLY H H 25 8.446 8.446 8.345 0.101 17645 4566 1 12 . 1 1 11 11 THR N N 26 116.800 116.800 119.618 -2.818 17645 4567 1 12 . 1 1 11 11 THR HA H 26 4.109 4.109 3.873 0.236 17645 4568 1 12 . 1 1 11 11 THR CA C 26 66.300 66.300 66.937 -0.637 17645 4569 1 12 . 1 1 11 11 THR CB C 26 69.690 69.690 68.579 1.111 17645 4570 1 12 . 1 1 11 11 THR H H 26 7.992 7.992 7.976 0.016 17645 4571 1 12 . 1 1 12 12 LEU N N 27 123.983 123.983 122.581 1.402 17645 4572 1 12 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.928 0.199 17645 4573 1 12 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.928 0.542 17645 4574 1 12 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.575 1.235 17645 4575 1 12 . 1 1 12 12 LEU H H 27 7.934 7.934 7.808 0.126 17645 4576 1 12 . 1 1 13 13 LYS N N 28 117.513 117.513 118.856 -1.343 17645 4577 1 12 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.782 0.121 17645 4578 1 12 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.782 0.368 17645 4579 1 12 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.024 0.706 17645 4580 1 12 . 1 1 13 13 LYS H H 28 7.824 7.824 7.709 0.115 17645 4581 1 12 . 1 1 14 14 LYS N N 29 119.275 119.275 119.066 0.209 17645 4582 1 12 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.946 0.205 17645 4583 1 12 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.396 0.064 17645 4584 1 12 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.130 0.620 17645 4585 1 12 . 1 1 14 14 LYS H H 29 7.685 7.685 7.651 0.034 17645 4586 1 12 . 1 1 15 15 ARG N N 30 119.090 119.090 120.457 -1.367 17645 4587 1 12 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.797 0.263 17645 4588 1 12 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.441 0.589 17645 4589 1 12 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.552 0.958 17645 4590 1 12 . 1 1 15 15 ARG H H 30 7.709 7.709 7.479 0.230 17645 4591 1 12 . 1 1 16 16 LEU N N 31 118.473 118.473 120.210 -1.737 17645 4592 1 12 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.539 0.438 17645 4593 1 12 . 1 1 16 16 LEU CA C 31 58.080 58.080 57.979 0.101 17645 4594 1 12 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.560 -0.240 17645 4595 1 12 . 1 1 16 16 LEU H H 31 7.595 7.595 8.004 -0.409 17645 4596 1 12 . 1 1 17 17 ASP N N 32 120.020 120.020 118.161 1.859 17645 4597 1 12 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.204 0.235 17645 4598 1 12 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.540 0.440 17645 4599 1 12 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.680 0.200 17645 4600 1 12 . 1 1 17 17 ASP H H 32 7.858 7.858 7.728 0.130 17645 4601 1 12 . 1 1 18 18 LYS N N 33 119.708 119.708 120.177 -0.469 17645 4602 1 12 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.986 0.212 17645 4603 1 12 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.694 -0.224 17645 4604 1 12 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.712 0.478 17645 4605 1 12 . 1 1 18 18 LYS H H 33 7.564 7.564 7.388 0.176 17645 4606 1 12 . 1 1 19 19 PHE N N 34 118.256 118.256 117.346 0.910 17645 4607 1 12 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.225 0.026 17645 4608 1 12 . 1 1 19 19 PHE CA C 34 60.710 60.710 59.380 1.330 17645 4609 1 12 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.478 1.272 17645 4610 1 12 . 1 1 19 19 PHE H H 34 7.884 7.884 7.356 0.528 17645 4611 1 12 . 1 1 20 20 ASN N N 35 117.779 117.779 118.136 -0.357 17645 4612 1 12 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.432 0.028 17645 4613 1 12 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.636 0.713 17645 4614 1 12 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.013 0.987 17645 4615 1 12 . 1 1 20 20 ASN H H 35 8.054 8.054 7.972 0.082 17645 4616 1 12 . 1 1 21 21 GLU N N 36 120.312 120.312 120.712 -0.400 17645 4617 1 12 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.028 0.078 17645 4618 1 12 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.676 0.094 17645 4619 1 12 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.816 0.695 17645 4620 1 12 . 1 1 21 21 GLU H H 36 7.983 7.983 7.705 0.278 17645 4621 1 12 . 1 1 22 22 VAL N N 37 119.756 119.756 119.692 0.064 17645 4622 1 12 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.703 0.139 17645 4623 1 12 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.740 -0.630 17645 4624 1 12 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.626 1.054 17645 4625 1 12 . 1 1 22 22 VAL H H 37 7.670 7.670 7.819 -0.149 17645 4626 1 12 . 1 1 23 23 VAL N N 38 118.300 118.300 119.173 -0.873 17645 4627 1 12 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.652 0.025 17645 4628 1 12 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.862 0.688 17645 4629 1 12 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.646 1.834 17645 4630 1 12 . 1 1 23 23 VAL H H 38 8.159 8.159 8.326 -0.167 17645 4631 1 12 . 1 1 24 24 SER N N 39 113.952 113.952 115.760 -1.808 17645 4632 1 12 . 1 1 24 24 SER HA H 39 4.170 4.170 4.047 0.123 17645 4633 1 12 . 1 1 24 24 SER CA C 39 61.880 61.880 61.379 0.501 17645 4634 1 12 . 1 1 24 24 SER CB C 39 63.740 63.740 62.871 0.869 17645 4635 1 12 . 1 1 24 24 SER H H 39 7.773 7.773 8.383 -0.610 17645 4636 1 12 . 1 1 25 25 ALA N N 40 122.572 122.572 121.627 0.945 17645 4637 1 12 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.252 0.173 17645 4638 1 12 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.937 -1.057 17645 4639 1 12 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.762 1.688 17645 4640 1 12 . 1 1 25 25 ALA H H 40 7.436 7.436 7.649 -0.213 17645 4641 1 12 . 1 1 26 26 LEU N N 41 120.677 120.677 117.906 2.771 17645 4642 1 12 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.174 0.207 17645 4643 1 12 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.047 -0.187 17645 4644 1 12 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.465 0.725 17645 4645 1 12 . 1 1 26 26 LEU H H 41 7.499 7.499 7.588 -0.089 17645 4646 1 12 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.925 0.360 17645 4647 1 12 . 1 1 27 27 LYS CA C 42 58.250 58.250 58.878 -0.628 17645 4648 1 12 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.630 3.240 17645 4649 1 12 . 1 1 28 28 ASP N N 43 120.989 120.989 120.803 0.186 17645 4650 1 12 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.589 0.212 17645 4651 1 12 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.261 -0.701 17645 4652 1 12 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.202 2.239 17645 4653 1 12 . 1 1 28 28 ASP H H 43 8.513 8.513 8.213 0.300 17645 4654 1 12 . 1 1 29 29 GLY N N 44 108.379 108.379 112.147 -3.768 17645 4655 1 12 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.609 0.931 17645 4656 1 12 . 1 1 29 29 GLY H H 44 8.425 8.425 8.608 -0.183 17645 4657 1 12 . 1 1 30 30 LYS N N 45 119.932 119.932 119.811 0.121 17645 4658 1 12 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.419 -0.340 17645 4659 1 12 . 1 1 30 30 LYS CA C 45 60.520 60.520 58.898 1.622 17645 4660 1 12 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.945 0.125 17645 4661 1 12 . 1 1 30 30 LYS H H 45 8.269 8.269 8.401 -0.132 17645 4662 1 12 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.250 0.058 17645 4663 1 12 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.937 1.103 17645 4664 1 12 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.482 0.338 17645 4665 1 12 . 1 1 32 32 GLU N N 47 118.526 118.526 118.261 0.265 17645 4666 1 12 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.043 0.090 17645 4667 1 12 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.826 0.344 17645 4668 1 12 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.261 0.649 17645 4669 1 12 . 1 1 32 32 GLU H H 47 8.189 8.189 8.758 -0.569 17645 4670 1 12 . 1 1 33 33 VAL N N 48 120.183 120.183 119.021 1.162 17645 4671 1 12 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.648 0.264 17645 4672 1 12 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.288 0.012 17645 4673 1 12 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.339 1.021 17645 4674 1 12 . 1 1 33 33 VAL H H 48 7.744 7.744 7.376 0.368 17645 4675 1 12 . 1 1 34 34 ASN N N 49 119.700 119.700 117.854 1.846 17645 4676 1 12 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.425 0.025 17645 4677 1 12 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.473 0.577 17645 4678 1 12 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.156 0.494 17645 4679 1 12 . 1 1 34 34 ASN H H 49 8.582 8.582 8.468 0.114 17645 4680 1 12 . 1 1 35 35 ARG N N 50 121.009 121.009 121.018 -0.009 17645 4681 1 12 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.155 -0.018 17645 4682 1 12 . 1 1 35 35 ARG CA C 50 59.770 59.770 58.642 1.128 17645 4683 1 12 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.842 0.928 17645 4684 1 12 . 1 1 35 35 ARG H H 50 7.848 7.848 8.098 -0.250 17645 4685 1 12 . 1 1 36 36 GLN N N 51 119.394 119.394 119.409 -0.015 17645 4686 1 12 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.235 -0.172 17645 4687 1 12 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.912 1.098 17645 4688 1 12 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.046 0.724 17645 4689 1 12 . 1 1 36 36 GLN H H 51 7.685 7.685 7.745 -0.060 17645 4690 1 12 . 1 1 37 37 ILE N N 52 122.006 122.006 119.679 2.327 17645 4691 1 12 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.708 -0.254 17645 4692 1 12 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.709 0.591 17645 4693 1 12 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.422 1.478 17645 4694 1 12 . 1 1 37 37 ILE H H 52 8.293 8.293 8.929 -0.636 17645 4695 1 12 . 1 1 38 38 LYS N N 53 121.163 121.163 120.974 0.189 17645 4696 1 12 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.992 0.179 17645 4697 1 12 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.411 -0.361 17645 4698 1 12 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.299 -0.369 17645 4699 1 12 . 1 1 38 38 LYS H H 53 8.169 8.169 7.949 0.220 17645 4700 1 12 . 1 1 39 39 ASN N N 54 117.219 117.219 118.317 -1.098 17645 4701 1 12 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.465 0.018 17645 4702 1 12 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.743 0.867 17645 4703 1 12 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.645 0.795 17645 4704 1 12 . 1 1 39 39 ASN H H 54 8.171 8.171 7.884 0.287 17645 4705 1 12 . 1 1 40 40 LEU N N 55 123.907 123.907 121.055 2.852 17645 4706 1 12 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.040 0.165 17645 4707 1 12 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.214 0.626 17645 4708 1 12 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.568 0.502 17645 4709 1 12 . 1 1 40 40 LEU H H 55 7.702 7.702 8.474 -0.772 17645 4710 1 12 . 1 1 41 41 GLU N N 56 121.779 121.779 119.835 1.944 17645 4711 1 12 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.973 -0.271 17645 4712 1 12 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.690 1.760 17645 4713 1 12 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.508 0.823 17645 4714 1 12 . 1 1 41 41 GLU H H 56 8.442 8.442 7.966 0.476 17645 4715 1 12 . 1 1 42 42 ILE N N 57 119.133 119.133 119.675 -0.542 17645 4716 1 12 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.841 0.042 17645 4717 1 12 . 1 1 42 42 ILE CA C 57 65.550 65.550 63.164 2.386 17645 4718 1 12 . 1 1 42 42 ILE CB C 57 38.950 38.950 36.354 2.596 17645 4719 1 12 . 1 1 42 42 ILE H H 57 8.531 8.531 7.785 0.746 17645 4720 1 12 . 1 1 43 43 SER N N 58 118.622 118.622 116.331 2.291 17645 4721 1 12 . 1 1 43 43 SER HA H 58 4.322 4.322 4.057 0.265 17645 4722 1 12 . 1 1 43 43 SER CA C 58 62.940 62.940 62.034 0.906 17645 4723 1 12 . 1 1 43 43 SER CB C 58 63.500 63.500 63.117 0.383 17645 4724 1 12 . 1 1 43 43 SER H H 58 8.027 8.027 7.576 0.451 17645 4725 1 12 . 1 1 44 44 ILE N N 59 126.416 126.416 122.128 4.288 17645 4726 1 12 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.553 0.075 17645 4727 1 12 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.557 1.353 17645 4728 1 12 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.835 1.325 17645 4729 1 12 . 1 1 44 44 ILE H H 59 8.543 8.543 8.107 0.436 17645 4730 1 12 . 1 1 45 45 ASP N N 60 121.563 121.563 119.867 1.696 17645 4731 1 12 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.286 0.121 17645 4732 1 12 . 1 1 45 45 ASP CA C 60 58.280 58.280 58.077 0.203 17645 4733 1 12 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.327 0.433 17645 4734 1 12 . 1 1 45 45 ASP H H 60 8.406 8.406 8.220 0.186 17645 4735 1 12 . 1 1 46 46 ALA N N 61 123.500 123.500 122.332 1.168 17645 4736 1 12 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.086 0.116 17645 4737 1 12 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.043 0.667 17645 4738 1 12 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.511 0.149 17645 4739 1 12 . 1 1 46 46 ALA H H 61 8.538 8.538 7.901 0.637 17645 4740 1 12 . 1 1 47 47 LEU N N 62 121.942 121.942 119.698 2.244 17645 4741 1 12 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.856 0.438 17645 4742 1 12 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.801 -0.141 17645 4743 1 12 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.824 -0.684 17645 4744 1 12 . 1 1 47 47 LEU H H 62 7.801 7.801 7.689 0.112 17645 4745 1 12 . 1 1 48 48 MET N N 63 118.068 118.068 116.554 1.514 17645 4746 1 12 . 1 1 48 48 MET HA H 63 3.945 3.945 3.935 0.010 17645 4747 1 12 . 1 1 48 48 MET CA C 63 60.330 60.330 58.665 1.665 17645 4748 1 12 . 1 1 48 48 MET CB C 63 33.110 33.110 30.921 2.189 17645 4749 1 12 . 1 1 48 48 MET H H 63 8.261 8.261 7.817 0.444 17645 4750 1 12 . 1 1 49 49 ALA N N 64 120.428 120.428 120.217 0.211 17645 4751 1 12 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.077 0.024 17645 4752 1 12 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.562 1.208 17645 4753 1 12 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.314 0.456 17645 4754 1 12 . 1 1 49 49 ALA H H 64 8.045 8.045 7.976 0.069 17645 4755 1 12 . 1 1 50 50 LYS N N 65 121.947 121.947 118.226 3.721 17645 4756 1 12 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.288 -0.249 17645 4757 1 12 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.761 1.759 17645 4758 1 12 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.810 0.870 17645 4759 1 12 . 1 1 50 50 LYS H H 65 8.063 8.063 7.850 0.213 17645 4760 1 12 . 1 1 51 51 ILE N N 66 121.189 121.189 118.453 2.736 17645 4761 1 12 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.964 -0.214 17645 4762 1 12 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.373 3.368 17645 4763 1 12 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.310 1.810 17645 4764 1 12 . 1 1 51 51 ILE H H 66 8.437 8.437 8.292 0.145 17645 4765 1 12 . 1 1 52 52 LYS N N 67 117.119 117.119 118.290 -1.171 17645 4766 1 12 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.357 -0.221 17645 4767 1 12 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.630 1.580 17645 4768 1 12 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.721 -0.041 17645 4769 1 12 . 1 1 52 52 LYS H H 67 7.622 7.622 7.827 -0.205 17645 4770 1 12 . 1 1 53 53 SER N N 68 111.824 111.824 115.974 -4.150 17645 4771 1 12 . 1 1 53 53 SER HA H 68 4.602 4.602 4.560 0.042 17645 4772 1 12 . 1 1 53 53 SER CA C 68 59.960 59.960 58.952 1.008 17645 4773 1 12 . 1 1 53 53 SER CB C 68 65.750 65.750 63.579 2.171 17645 4774 1 12 . 1 1 53 53 SER H H 68 7.750 7.750 7.946 -0.196 17645 4775 1 12 . 1 1 54 54 THR N N 69 115.916 115.916 111.640 4.276 17645 4776 1 12 . 1 1 54 54 THR HA H 69 4.596 4.596 4.328 0.268 17645 4777 1 12 . 1 1 54 54 THR CA C 69 62.460 62.460 61.919 0.541 17645 4778 1 12 . 1 1 54 54 THR CB C 69 71.650 71.650 69.890 1.760 17645 4779 1 12 . 1 1 54 54 THR H H 69 7.972 7.972 7.294 0.678 17645 4780 1 12 . 1 1 55 55 MET N N 70 121.343 121.343 122.320 -0.977 17645 4781 1 12 . 1 1 55 55 MET HA H 70 4.551 4.551 4.378 0.173 17645 4782 1 12 . 1 1 55 55 MET CA C 70 56.050 56.050 55.033 1.016 17645 4783 1 12 . 1 1 55 55 MET CB C 70 32.500 32.500 31.492 1.008 17645 4784 1 12 . 1 1 55 55 MET H H 70 8.306 8.306 8.612 -0.306 17645 4785 1 12 . 1 1 56 56 MET N N 71 123.196 123.196 122.527 0.669 17645 4786 1 12 . 1 1 56 56 MET HA H 71 4.706 4.706 4.485 0.221 17645 4787 1 12 . 1 1 56 56 MET CA C 71 55.860 55.860 54.402 1.458 17645 4788 1 12 . 1 1 56 56 MET CB C 71 37.620 37.620 32.910 4.710 17645 4789 1 12 . 1 1 56 56 MET H H 71 8.114 8.114 7.770 0.344 17645 4790 1 12 . 1 1 57 57 THR N N 72 113.158 113.158 117.280 -4.122 17645 4791 1 12 . 1 1 57 57 THR HA H 72 4.483 4.483 4.473 0.010 17645 4792 1 12 . 1 1 57 57 THR CA C 72 61.080 61.080 61.483 -0.403 17645 4793 1 12 . 1 1 57 57 THR CB C 72 71.670 71.670 69.804 1.866 17645 4794 1 12 . 1 1 57 57 THR H H 72 8.486 8.486 8.200 0.286 17645 4795 1 12 . 1 1 58 58 ARG N N 73 121.911 121.911 126.058 -4.147 17645 4796 1 12 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.921 -0.012 17645 4797 1 12 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.270 0.250 17645 4798 1 12 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.341 -0.011 17645 4799 1 12 . 1 1 58 58 ARG H H 73 8.961 8.961 8.893 0.068 17645 4800 1 12 . 1 1 59 59 GLU N N 74 118.955 118.955 118.364 0.591 17645 4801 1 12 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.039 -0.007 17645 4802 1 12 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.218 0.672 17645 4803 1 12 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.138 0.822 17645 4804 1 12 . 1 1 59 59 GLU H H 74 8.833 8.833 8.854 -0.021 17645 4805 1 12 . 1 1 60 60 GLN N N 75 121.077 121.077 118.489 2.588 17645 4806 1 12 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.112 -0.122 17645 4807 1 12 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.587 0.813 17645 4808 1 12 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.703 0.687 17645 4809 1 12 . 1 1 60 60 GLN H H 75 7.801 7.801 7.656 0.145 17645 4810 1 12 . 1 1 61 61 ILE N N 76 120.016 120.016 120.445 -0.429 17645 4811 1 12 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.888 -0.459 17645 4812 1 12 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.554 3.306 17645 4813 1 12 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.697 2.013 17645 4814 1 12 . 1 1 61 61 ILE H H 76 8.250 8.250 7.627 0.623 17645 4815 1 12 . 1 1 62 62 GLN N N 77 119.153 119.153 120.103 -0.950 17645 4816 1 12 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.070 -0.303 17645 4817 1 12 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.029 0.741 17645 4818 1 12 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.377 0.703 17645 4819 1 12 . 1 1 62 62 GLN H H 77 8.295 8.295 8.283 0.012 17645 4820 1 12 . 1 1 63 63 LYS N N 78 118.200 118.200 119.808 -1.608 17645 4821 1 12 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.045 0.109 17645 4822 1 12 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.536 0.614 17645 4823 1 12 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.416 0.894 17645 4824 1 12 . 1 1 63 63 LYS H H 78 7.839 7.839 7.786 0.053 17645 4825 1 12 . 1 1 64 64 GLU N N 79 120.133 120.133 118.681 1.452 17645 4826 1 12 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.992 0.150 17645 4827 1 12 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.471 0.860 17645 4828 1 12 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.516 1.094 17645 4829 1 12 . 1 1 64 64 GLU H H 79 7.899 7.899 8.022 -0.123 17645 4830 1 12 . 1 1 65 65 TYR N N 80 122.505 122.505 119.521 2.984 17645 4831 1 12 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.236 -0.294 17645 4832 1 12 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.111 1.649 17645 4833 1 12 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.463 1.007 17645 4834 1 12 . 1 1 65 65 TYR H H 80 9.023 9.023 7.952 1.071 17645 4835 1 12 . 1 1 66 66 ASP N N 81 120.497 120.497 119.772 0.725 17645 4836 1 12 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.438 -0.221 17645 4837 1 12 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.281 0.819 17645 4838 1 12 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.934 -0.294 17645 4839 1 12 . 1 1 66 66 ASP H H 81 9.089 9.089 8.143 0.946 17645 4840 1 12 . 1 1 67 67 ALA N N 82 122.397 122.397 122.672 -0.275 17645 4841 1 12 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.107 0.080 17645 4842 1 12 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.145 0.685 17645 4843 1 12 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.431 0.489 17645 4844 1 12 . 1 1 67 67 ALA H H 82 7.636 7.636 8.180 -0.544 17645 4845 1 12 . 1 1 68 68 LEU N N 83 121.806 121.806 118.591 3.215 17645 4846 1 12 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.248 -0.103 17645 4847 1 12 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.475 0.805 17645 4848 1 12 . 1 1 68 68 LEU CB C 83 42.860 42.860 42.178 0.682 17645 4849 1 12 . 1 1 68 68 LEU H H 83 7.727 7.727 7.701 0.026 17645 4850 1 12 . 1 1 69 69 VAL N N 84 123.560 123.560 120.568 2.992 17645 4851 1 12 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.619 -0.314 17645 4852 1 12 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.903 1.137 17645 4853 1 12 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.413 0.776 17645 4854 1 12 . 1 1 69 69 VAL H H 84 8.560 8.560 7.945 0.615 17645 4855 1 12 . 1 1 70 70 LYS N N 85 121.398 121.398 120.722 0.676 17645 4856 1 12 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.048 0.044 17645 4857 1 12 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.752 0.498 17645 4858 1 12 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.293 0.467 17645 4859 1 12 . 1 1 70 70 LYS H H 85 7.956 7.956 8.435 -0.479 17645 4860 1 12 . 1 1 71 71 SER N N 86 114.825 114.825 114.869 -0.044 17645 4861 1 12 . 1 1 71 71 SER HA H 86 4.298 4.298 4.174 0.124 17645 4862 1 12 . 1 1 71 71 SER CA C 86 62.810 62.810 61.682 1.128 17645 4863 1 12 . 1 1 71 71 SER CB C 86 63.640 63.640 62.601 1.039 17645 4864 1 12 . 1 1 71 71 SER H H 86 8.284 8.284 7.926 0.358 17645 4865 1 12 . 1 1 72 72 SER N N 87 118.845 118.845 118.745 0.100 17645 4866 1 12 . 1 1 72 72 SER HA H 87 4.269 4.269 3.979 0.290 17645 4867 1 12 . 1 1 72 72 SER CA C 87 62.940 62.940 61.962 0.978 17645 4868 1 12 . 1 1 72 72 SER CB C 87 63.870 63.870 63.029 0.841 17645 4869 1 12 . 1 1 72 72 SER H H 87 8.421 8.421 8.325 0.096 17645 4870 1 12 . 1 1 73 73 GLU N N 88 124.809 124.809 120.829 3.980 17645 4871 1 12 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.962 0.090 17645 4872 1 12 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.441 0.788 17645 4873 1 12 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.196 1.034 17645 4874 1 12 . 1 1 73 73 GLU H H 88 8.376 8.376 7.966 0.410 17645 4875 1 12 . 1 1 74 74 ASP N N 89 122.193 122.193 119.046 3.147 17645 4876 1 12 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.430 -0.019 17645 4877 1 12 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.195 0.715 17645 4878 1 12 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.971 -0.391 17645 4879 1 12 . 1 1 74 74 ASP H H 89 8.734 8.734 7.786 0.948 17645 4880 1 12 . 1 1 75 75 LEU N N 90 123.280 123.280 121.540 1.740 17645 4881 1 12 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.922 0.368 17645 4882 1 12 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.795 0.765 17645 4883 1 12 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.893 0.137 17645 4884 1 12 . 1 1 75 75 LEU H H 90 7.986 7.986 7.128 0.858 17645 4885 1 12 . 1 1 76 76 LEU N N 91 120.488 120.488 118.668 1.820 17645 4886 1 12 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.722 0.116 17645 4887 1 12 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.318 0.882 17645 4888 1 12 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.028 0.482 17645 4889 1 12 . 1 1 76 76 LEU H H 91 8.280 8.280 8.017 0.263 17645 4890 1 12 . 1 1 77 77 SER N N 92 113.817 113.817 114.396 -0.579 17645 4891 1 12 . 1 1 77 77 SER HA H 92 4.235 4.235 4.112 0.123 17645 4892 1 12 . 1 1 77 77 SER CA C 92 62.200 62.200 61.397 0.803 17645 4893 1 12 . 1 1 77 77 SER CB C 92 63.440 63.440 62.299 1.141 17645 4894 1 12 . 1 1 77 77 SER H H 92 8.219 8.219 7.926 0.293 17645 4895 1 12 . 1 1 78 78 ALA N N 93 124.902 124.902 124.675 0.227 17645 4896 1 12 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.100 0.066 17645 4897 1 12 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.888 0.972 17645 4898 1 12 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.223 0.537 17645 4899 1 12 . 1 1 78 78 ALA H H 93 7.949 7.949 7.579 0.370 17645 4900 1 12 . 1 1 79 79 LEU N N 94 120.602 120.602 118.909 1.693 17645 4901 1 12 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.798 0.269 17645 4902 1 12 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.230 0.241 17645 4903 1 12 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.536 1.074 17645 4904 1 12 . 1 1 79 79 LEU H H 94 8.587 8.587 7.870 0.717 17645 4905 1 12 . 1 1 80 80 GLN N N 95 119.525 119.525 118.178 1.347 17645 4906 1 12 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.926 0.122 17645 4907 1 12 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.502 0.089 17645 4908 1 12 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.574 0.266 17645 4909 1 12 . 1 1 80 80 GLN H H 95 8.561 8.561 8.623 -0.062 17645 4910 1 12 . 1 1 81 81 LYS N N 96 121.075 121.075 118.963 2.112 17645 4911 1 12 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.147 -0.010 17645 4912 1 12 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.218 0.832 17645 4913 1 12 . 1 1 81 81 LYS CB C 96 32.940 32.940 31.926 1.014 17645 4914 1 12 . 1 1 81 81 LYS H H 96 8.003 8.003 7.940 0.063 17645 4915 1 12 . 1 1 82 82 LYS N N 97 121.415 121.415 120.465 0.950 17645 4916 1 12 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.995 0.130 17645 4917 1 12 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.973 -0.003 17645 4918 1 12 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.529 0.591 17645 4919 1 12 . 1 1 82 82 LYS H H 97 7.903 7.903 7.701 0.202 17645 4920 1 12 . 1 1 83 83 LYS N N 98 121.081 121.081 118.256 2.825 17645 4921 1 12 . 1 1 83 83 LYS HA H 98 3.982 3.982 3.922 0.060 17645 4922 1 12 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.089 0.921 17645 4923 1 12 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.993 1.127 17645 4924 1 12 . 1 1 83 83 LYS H H 98 8.202 8.202 7.865 0.337 17645 4925 1 12 . 1 1 84 84 GLN N N 99 119.576 119.576 117.913 1.663 17645 4926 1 12 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.094 0.030 17645 4927 1 12 . 1 1 84 84 GLN CA C 99 59.810 59.810 57.869 1.941 17645 4928 1 12 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.331 0.629 17645 4929 1 12 . 1 1 84 84 GLN H H 99 8.125 8.125 7.987 0.138 17645 4930 1 12 . 1 1 85 85 GLN N N 100 120.009 120.009 118.475 1.534 17645 4931 1 12 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.092 0.029 17645 4932 1 12 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.072 2.518 17645 4933 1 12 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.336 -0.316 17645 4934 1 12 . 1 1 85 85 GLN H H 100 8.341 8.341 7.700 0.641 17645 4935 1 12 . 1 1 86 86 GLU N N 101 121.718 121.718 116.878 4.840 17645 4936 1 12 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.079 0.056 17645 4937 1 12 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.669 2.761 17645 4938 1 12 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.620 0.520 17645 4939 1 12 . 1 1 86 86 GLU H H 101 8.275 8.275 7.882 0.393 17645 4940 1 12 . 1 1 87 87 GLU N N 102 121.412 121.412 119.523 1.889 17645 4941 1 12 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.438 -0.322 17645 4942 1 12 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.385 3.575 17645 4943 1 12 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.171 0.119 17645 4944 1 12 . 1 1 87 87 GLU H H 102 8.330 8.330 8.633 -0.303 17645 4945 1 13 . 1 1 2 2 GLY N N 17 110.356 110.356 109.434 0.922 17645 4946 1 13 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.620 0.990 17645 4947 1 13 . 1 1 2 2 GLY H H 17 8.065 8.065 8.536 -0.471 17645 4948 1 13 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.521 -0.128 17645 4949 1 13 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.821 1.849 17645 4950 1 13 . 1 1 3 3 PRO CB C 18 32.700 32.700 30.489 2.211 17645 4951 1 13 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.743 0.987 17645 4952 1 13 . 1 1 5 5 SER HA H 20 4.192 4.192 4.608 -0.416 17645 4953 1 13 . 1 1 5 5 SER CA C 20 60.960 60.960 59.517 1.443 17645 4954 1 13 . 1 1 5 5 SER CB C 20 64.250 64.250 63.511 0.739 17645 4955 1 13 . 1 1 6 6 LEU N N 21 122.731 122.731 121.658 1.073 17645 4956 1 13 . 1 1 6 6 LEU HA H 21 4.120 4.120 3.954 0.166 17645 4957 1 13 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.919 -0.198 17645 4958 1 13 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.740 1.230 17645 4959 1 13 . 1 1 6 6 LEU H H 21 8.052 8.052 8.393 -0.341 17645 4960 1 13 . 1 1 7 7 VAL N N 22 119.948 119.948 118.047 1.901 17645 4961 1 13 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.638 0.115 17645 4962 1 13 . 1 1 7 7 VAL CA C 22 65.350 65.350 65.989 -0.639 17645 4963 1 13 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.475 1.125 17645 4964 1 13 . 1 1 7 7 VAL H H 22 7.676 7.676 8.244 -0.568 17645 4965 1 13 . 1 1 8 8 LYS N N 23 122.400 122.400 119.457 2.943 17645 4966 1 13 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.015 0.172 17645 4967 1 13 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.664 -0.834 17645 4968 1 13 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.070 0.490 17645 4969 1 13 . 1 1 8 8 LYS H H 23 7.830 7.830 7.380 0.450 17645 4970 1 13 . 1 1 9 9 VAL N N 24 121.205 121.205 119.173 2.032 17645 4971 1 13 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.788 0.038 17645 4972 1 13 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.521 0.339 17645 4973 1 13 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.535 0.915 17645 4974 1 13 . 1 1 9 9 VAL H H 24 8.194 8.194 7.842 0.352 17645 4975 1 13 . 1 1 10 10 GLY N N 25 107.900 107.900 106.624 1.276 17645 4976 1 13 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.534 0.126 17645 4977 1 13 . 1 1 10 10 GLY H H 25 8.446 8.446 8.442 0.004 17645 4978 1 13 . 1 1 11 11 THR N N 26 116.800 116.800 119.371 -2.571 17645 4979 1 13 . 1 1 11 11 THR HA H 26 4.109 4.109 3.977 0.132 17645 4980 1 13 . 1 1 11 11 THR CA C 26 66.300 66.300 66.200 0.100 17645 4981 1 13 . 1 1 11 11 THR CB C 26 69.690 69.690 68.330 1.360 17645 4982 1 13 . 1 1 11 11 THR H H 26 7.992 7.992 7.913 0.079 17645 4983 1 13 . 1 1 12 12 LEU N N 27 123.983 123.983 122.626 1.357 17645 4984 1 13 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.998 0.129 17645 4985 1 13 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.933 0.537 17645 4986 1 13 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.578 1.232 17645 4987 1 13 . 1 1 12 12 LEU H H 27 7.934 7.934 8.080 -0.146 17645 4988 1 13 . 1 1 13 13 LYS N N 28 117.513 117.513 118.985 -1.472 17645 4989 1 13 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.852 0.051 17645 4990 1 13 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.715 0.435 17645 4991 1 13 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.024 0.706 17645 4992 1 13 . 1 1 13 13 LYS H H 28 7.824 7.824 7.812 0.012 17645 4993 1 13 . 1 1 14 14 LYS N N 29 119.275 119.275 119.092 0.183 17645 4994 1 13 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.979 0.172 17645 4995 1 13 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.313 0.147 17645 4996 1 13 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.167 0.583 17645 4997 1 13 . 1 1 14 14 LYS H H 29 7.685 7.685 7.693 -0.008 17645 4998 1 13 . 1 1 15 15 ARG N N 30 119.090 119.090 120.546 -1.456 17645 4999 1 13 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.732 0.328 17645 5000 1 13 . 1 1 15 15 ARG CA C 30 59.030 59.030 59.021 0.009 17645 5001 1 13 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.824 0.686 17645 5002 1 13 . 1 1 15 15 ARG H H 30 7.709 7.709 7.530 0.179 17645 5003 1 13 . 1 1 16 16 LEU N N 31 118.473 118.473 120.874 -2.401 17645 5004 1 13 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.964 0.013 17645 5005 1 13 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.127 -0.047 17645 5006 1 13 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.727 -0.408 17645 5007 1 13 . 1 1 16 16 LEU H H 31 7.595 7.595 8.186 -0.591 17645 5008 1 13 . 1 1 17 17 ASP N N 32 120.020 120.020 118.766 1.254 17645 5009 1 13 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.261 0.178 17645 5010 1 13 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.641 0.339 17645 5011 1 13 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.327 0.554 17645 5012 1 13 . 1 1 17 17 ASP H H 32 7.858 7.858 7.778 0.080 17645 5013 1 13 . 1 1 18 18 LYS N N 33 119.708 119.708 120.519 -0.811 17645 5014 1 13 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.970 0.228 17645 5015 1 13 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.732 -0.262 17645 5016 1 13 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.708 0.482 17645 5017 1 13 . 1 1 18 18 LYS H H 33 7.564 7.564 7.380 0.184 17645 5018 1 13 . 1 1 19 19 PHE N N 34 118.256 118.256 117.568 0.688 17645 5019 1 13 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.205 0.046 17645 5020 1 13 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.164 0.546 17645 5021 1 13 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.710 1.040 17645 5022 1 13 . 1 1 19 19 PHE H H 34 7.884 7.884 7.356 0.528 17645 5023 1 13 . 1 1 20 20 ASN N N 35 117.779 117.779 117.950 -0.171 17645 5024 1 13 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.415 0.045 17645 5025 1 13 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.992 0.358 17645 5026 1 13 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.184 0.816 17645 5027 1 13 . 1 1 20 20 ASN H H 35 8.054 8.054 7.973 0.081 17645 5028 1 13 . 1 1 21 21 GLU N N 36 120.312 120.312 120.660 -0.348 17645 5029 1 13 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.071 0.035 17645 5030 1 13 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.718 0.052 17645 5031 1 13 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.735 0.775 17645 5032 1 13 . 1 1 21 21 GLU H H 36 7.983 7.983 7.792 0.191 17645 5033 1 13 . 1 1 22 22 VAL N N 37 119.756 119.756 119.297 0.459 17645 5034 1 13 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.759 0.083 17645 5035 1 13 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.363 -0.253 17645 5036 1 13 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.434 1.246 17645 5037 1 13 . 1 1 22 22 VAL H H 37 7.670 7.670 7.950 -0.280 17645 5038 1 13 . 1 1 23 23 VAL N N 38 118.300 118.300 118.429 -0.129 17645 5039 1 13 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.846 -0.169 17645 5040 1 13 . 1 1 23 23 VAL CA C 38 66.550 66.550 64.576 1.974 17645 5041 1 13 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.804 1.676 17645 5042 1 13 . 1 1 23 23 VAL H H 38 8.159 8.159 8.467 -0.308 17645 5043 1 13 . 1 1 24 24 SER N N 39 113.952 113.952 116.715 -2.763 17645 5044 1 13 . 1 1 24 24 SER HA H 39 4.170 4.170 4.063 0.107 17645 5045 1 13 . 1 1 24 24 SER CA C 39 61.880 61.880 61.032 0.848 17645 5046 1 13 . 1 1 24 24 SER CB C 39 63.740 63.740 63.015 0.725 17645 5047 1 13 . 1 1 24 24 SER H H 39 7.773 7.773 8.371 -0.598 17645 5048 1 13 . 1 1 25 25 ALA N N 40 122.572 122.572 121.803 0.769 17645 5049 1 13 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.181 0.244 17645 5050 1 13 . 1 1 25 25 ALA CA C 40 52.880 52.880 53.963 -1.083 17645 5051 1 13 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.080 1.370 17645 5052 1 13 . 1 1 25 25 ALA H H 40 7.436 7.436 7.698 -0.262 17645 5053 1 13 . 1 1 26 26 LEU N N 41 120.677 120.677 114.329 6.348 17645 5054 1 13 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.668 -0.287 17645 5055 1 13 . 1 1 26 26 LEU CA C 41 55.860 55.860 53.832 2.028 17645 5056 1 13 . 1 1 26 26 LEU CB C 41 43.190 43.190 41.501 1.689 17645 5057 1 13 . 1 1 26 26 LEU H H 41 7.499 7.499 7.382 0.117 17645 5058 1 13 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.959 0.326 17645 5059 1 13 . 1 1 27 27 LYS CA C 42 58.250 58.250 58.678 -0.428 17645 5060 1 13 . 1 1 27 27 LYS CB C 42 33.870 33.870 32.439 1.431 17645 5061 1 13 . 1 1 28 28 ASP N N 43 120.989 120.989 117.948 3.041 17645 5062 1 13 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.439 0.362 17645 5063 1 13 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.404 -0.844 17645 5064 1 13 . 1 1 28 28 ASP CB C 43 43.440 43.440 39.987 3.453 17645 5065 1 13 . 1 1 28 28 ASP H H 43 8.513 8.513 7.923 0.590 17645 5066 1 13 . 1 1 29 29 GLY N N 44 108.379 108.379 113.395 -5.016 17645 5067 1 13 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.210 1.330 17645 5068 1 13 . 1 1 29 29 GLY H H 44 8.425 8.425 8.318 0.107 17645 5069 1 13 . 1 1 30 30 LYS N N 45 119.932 119.932 120.512 -0.580 17645 5070 1 13 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.418 -0.339 17645 5071 1 13 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.072 1.448 17645 5072 1 13 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.981 0.089 17645 5073 1 13 . 1 1 30 30 LYS H H 45 8.269 8.269 7.858 0.411 17645 5074 1 13 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.185 0.123 17645 5075 1 13 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.033 1.007 17645 5076 1 13 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.232 0.588 17645 5077 1 13 . 1 1 32 32 GLU N N 47 118.526 118.526 117.721 0.805 17645 5078 1 13 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.011 0.122 17645 5079 1 13 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.505 0.665 17645 5080 1 13 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.357 0.553 17645 5081 1 13 . 1 1 32 32 GLU H H 47 8.189 8.189 8.329 -0.140 17645 5082 1 13 . 1 1 33 33 VAL N N 48 120.183 120.183 119.503 0.680 17645 5083 1 13 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.580 0.332 17645 5084 1 13 . 1 1 33 33 VAL CA C 48 66.300 66.300 65.979 0.321 17645 5085 1 13 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.162 1.198 17645 5086 1 13 . 1 1 33 33 VAL H H 48 7.744 7.744 7.421 0.323 17645 5087 1 13 . 1 1 34 34 ASN N N 49 119.700 119.700 117.465 2.235 17645 5088 1 13 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.386 0.064 17645 5089 1 13 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.487 0.563 17645 5090 1 13 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.290 0.360 17645 5091 1 13 . 1 1 34 34 ASN H H 49 8.582 8.582 8.488 0.094 17645 5092 1 13 . 1 1 35 35 ARG N N 50 121.009 121.009 121.098 -0.089 17645 5093 1 13 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.025 0.112 17645 5094 1 13 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.615 0.155 17645 5095 1 13 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.220 0.550 17645 5096 1 13 . 1 1 35 35 ARG H H 50 7.848 7.848 7.835 0.013 17645 5097 1 13 . 1 1 36 36 GLN N N 51 119.394 119.394 119.372 0.022 17645 5098 1 13 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.091 -0.028 17645 5099 1 13 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.078 0.932 17645 5100 1 13 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.893 0.877 17645 5101 1 13 . 1 1 36 36 GLN H H 51 7.685 7.685 7.719 -0.034 17645 5102 1 13 . 1 1 37 37 ILE N N 52 122.006 122.006 119.618 2.388 17645 5103 1 13 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.670 -0.216 17645 5104 1 13 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.119 1.181 17645 5105 1 13 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.570 1.330 17645 5106 1 13 . 1 1 37 37 ILE H H 52 8.293 8.293 8.849 -0.556 17645 5107 1 13 . 1 1 38 38 LYS N N 53 121.163 121.163 121.088 0.075 17645 5108 1 13 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.007 0.164 17645 5109 1 13 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.836 -0.786 17645 5110 1 13 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.339 -0.409 17645 5111 1 13 . 1 1 38 38 LYS H H 53 8.169 8.169 7.819 0.350 17645 5112 1 13 . 1 1 39 39 ASN N N 54 117.219 117.219 118.601 -1.382 17645 5113 1 13 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.388 0.095 17645 5114 1 13 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.151 0.459 17645 5115 1 13 . 1 1 39 39 ASN CB C 54 38.440 38.440 38.015 0.425 17645 5116 1 13 . 1 1 39 39 ASN H H 54 8.171 8.171 7.862 0.309 17645 5117 1 13 . 1 1 40 40 LEU N N 55 123.907 123.907 121.014 2.893 17645 5118 1 13 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.042 0.163 17645 5119 1 13 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.901 -0.062 17645 5120 1 13 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.722 0.348 17645 5121 1 13 . 1 1 40 40 LEU H H 55 7.702 7.702 8.067 -0.365 17645 5122 1 13 . 1 1 41 41 GLU N N 56 121.779 121.779 120.236 1.543 17645 5123 1 13 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.964 -0.262 17645 5124 1 13 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.897 1.553 17645 5125 1 13 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.724 0.606 17645 5126 1 13 . 1 1 41 41 GLU H H 56 8.442 8.442 7.829 0.613 17645 5127 1 13 . 1 1 42 42 ILE N N 57 119.133 119.133 120.014 -0.881 17645 5128 1 13 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.719 0.164 17645 5129 1 13 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.254 0.296 17645 5130 1 13 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.893 1.057 17645 5131 1 13 . 1 1 42 42 ILE H H 57 8.531 8.531 8.428 0.103 17645 5132 1 13 . 1 1 43 43 SER N N 58 118.622 118.622 116.420 2.202 17645 5133 1 13 . 1 1 43 43 SER HA H 58 4.322 4.322 4.102 0.220 17645 5134 1 13 . 1 1 43 43 SER CA C 58 62.940 62.940 62.588 0.352 17645 5135 1 13 . 1 1 43 43 SER CB C 58 63.500 63.500 63.080 0.420 17645 5136 1 13 . 1 1 43 43 SER H H 58 8.027 8.027 7.895 0.132 17645 5137 1 13 . 1 1 44 44 ILE N N 59 126.416 126.416 122.139 4.277 17645 5138 1 13 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.647 -0.019 17645 5139 1 13 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.718 1.192 17645 5140 1 13 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.645 1.515 17645 5141 1 13 . 1 1 44 44 ILE H H 59 8.543 8.543 8.657 -0.114 17645 5142 1 13 . 1 1 45 45 ASP N N 60 121.563 121.563 119.681 1.882 17645 5143 1 13 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.308 0.099 17645 5144 1 13 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.837 0.443 17645 5145 1 13 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.646 0.114 17645 5146 1 13 . 1 1 45 45 ASP H H 60 8.406 8.406 7.997 0.409 17645 5147 1 13 . 1 1 46 46 ALA N N 61 123.500 123.500 122.713 0.787 17645 5148 1 13 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.061 0.141 17645 5149 1 13 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.099 0.611 17645 5150 1 13 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.438 0.222 17645 5151 1 13 . 1 1 46 46 ALA H H 61 8.538 8.538 7.977 0.561 17645 5152 1 13 . 1 1 47 47 LEU N N 62 121.942 121.942 120.071 1.871 17645 5153 1 13 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.934 0.360 17645 5154 1 13 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.593 0.067 17645 5155 1 13 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.860 -0.720 17645 5156 1 13 . 1 1 47 47 LEU H H 62 7.801 7.801 7.786 0.015 17645 5157 1 13 . 1 1 48 48 MET N N 63 118.068 118.068 118.670 -0.602 17645 5158 1 13 . 1 1 48 48 MET HA H 63 3.945 3.945 3.873 0.072 17645 5159 1 13 . 1 1 48 48 MET CA C 63 60.330 60.330 59.285 1.045 17645 5160 1 13 . 1 1 48 48 MET CB C 63 33.110 33.110 32.460 0.650 17645 5161 1 13 . 1 1 48 48 MET H H 63 8.261 8.261 7.819 0.442 17645 5162 1 13 . 1 1 49 49 ALA N N 64 120.428 120.428 117.996 2.432 17645 5163 1 13 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.017 0.084 17645 5164 1 13 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.787 0.983 17645 5165 1 13 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.292 0.478 17645 5166 1 13 . 1 1 49 49 ALA H H 64 8.045 8.045 7.844 0.201 17645 5167 1 13 . 1 1 50 50 LYS N N 65 121.947 121.947 117.578 4.369 17645 5168 1 13 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.215 -0.176 17645 5169 1 13 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.771 1.749 17645 5170 1 13 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.664 1.016 17645 5171 1 13 . 1 1 50 50 LYS H H 65 8.063 8.063 7.712 0.351 17645 5172 1 13 . 1 1 51 51 ILE N N 66 121.189 121.189 119.055 2.134 17645 5173 1 13 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.930 -0.180 17645 5174 1 13 . 1 1 51 51 ILE CA C 66 65.740 65.740 63.242 2.498 17645 5175 1 13 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.133 1.987 17645 5176 1 13 . 1 1 51 51 ILE H H 66 8.437 8.437 8.350 0.087 17645 5177 1 13 . 1 1 52 52 LYS N N 67 117.119 117.119 118.139 -1.020 17645 5178 1 13 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.372 -0.236 17645 5179 1 13 . 1 1 52 52 LYS CA C 67 59.210 59.210 56.499 2.711 17645 5180 1 13 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.021 0.659 17645 5181 1 13 . 1 1 52 52 LYS H H 67 7.622 7.622 7.768 -0.146 17645 5182 1 13 . 1 1 53 53 SER N N 68 111.824 111.824 113.305 -1.481 17645 5183 1 13 . 1 1 53 53 SER HA H 68 4.602 4.602 4.647 -0.045 17645 5184 1 13 . 1 1 53 53 SER CA C 68 59.960 59.960 58.452 1.508 17645 5185 1 13 . 1 1 53 53 SER CB C 68 65.750 65.750 64.084 1.666 17645 5186 1 13 . 1 1 53 53 SER H H 68 7.750 7.750 7.537 0.213 17645 5187 1 13 . 1 1 54 54 THR N N 69 115.916 115.916 112.902 3.014 17645 5188 1 13 . 1 1 54 54 THR HA H 69 4.596 4.596 4.453 0.143 17645 5189 1 13 . 1 1 54 54 THR CA C 69 62.460 62.460 61.422 1.038 17645 5190 1 13 . 1 1 54 54 THR CB C 69 71.650 71.650 70.056 1.594 17645 5191 1 13 . 1 1 54 54 THR H H 69 7.972 7.972 7.623 0.349 17645 5192 1 13 . 1 1 55 55 MET N N 70 121.343 121.343 123.037 -1.694 17645 5193 1 13 . 1 1 55 55 MET HA H 70 4.551 4.551 4.624 -0.073 17645 5194 1 13 . 1 1 55 55 MET CA C 70 56.050 56.050 54.314 1.736 17645 5195 1 13 . 1 1 55 55 MET CB C 70 32.500 32.500 31.655 0.845 17645 5196 1 13 . 1 1 55 55 MET H H 70 8.306 8.306 8.769 -0.463 17645 5197 1 13 . 1 1 56 56 MET N N 71 123.196 123.196 121.309 1.887 17645 5198 1 13 . 1 1 56 56 MET HA H 71 4.706 4.706 4.249 0.457 17645 5199 1 13 . 1 1 56 56 MET CA C 71 55.860 55.860 56.732 -0.872 17645 5200 1 13 . 1 1 56 56 MET CB C 71 37.620 37.620 33.199 4.421 17645 5201 1 13 . 1 1 56 56 MET H H 71 8.114 8.114 7.508 0.606 17645 5202 1 13 . 1 1 57 57 THR N N 72 113.158 113.158 118.667 -5.509 17645 5203 1 13 . 1 1 57 57 THR HA H 72 4.483 4.483 4.434 0.049 17645 5204 1 13 . 1 1 57 57 THR CA C 72 61.080 61.080 62.357 -1.277 17645 5205 1 13 . 1 1 57 57 THR CB C 72 71.670 71.670 70.145 1.525 17645 5206 1 13 . 1 1 57 57 THR H H 72 8.486 8.486 8.443 0.043 17645 5207 1 13 . 1 1 58 58 ARG N N 73 121.911 121.911 124.954 -3.043 17645 5208 1 13 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.993 -0.084 17645 5209 1 13 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.537 0.983 17645 5210 1 13 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.705 0.625 17645 5211 1 13 . 1 1 58 58 ARG H H 73 8.961 8.961 8.783 0.178 17645 5212 1 13 . 1 1 59 59 GLU N N 74 118.955 118.955 118.543 0.412 17645 5213 1 13 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.003 0.029 17645 5214 1 13 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.188 0.702 17645 5215 1 13 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.112 0.848 17645 5216 1 13 . 1 1 59 59 GLU H H 74 8.833 8.833 8.831 0.002 17645 5217 1 13 . 1 1 60 60 GLN N N 75 121.077 121.077 118.502 2.575 17645 5218 1 13 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.117 -0.127 17645 5219 1 13 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.597 0.803 17645 5220 1 13 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.644 0.746 17645 5221 1 13 . 1 1 60 60 GLN H H 75 7.801 7.801 7.617 0.184 17645 5222 1 13 . 1 1 61 61 ILE N N 76 120.016 120.016 119.082 0.934 17645 5223 1 13 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.878 -0.449 17645 5224 1 13 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.357 3.503 17645 5225 1 13 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.718 1.992 17645 5226 1 13 . 1 1 61 61 ILE H H 76 8.250 8.250 7.630 0.620 17645 5227 1 13 . 1 1 62 62 GLN N N 77 119.153 119.153 120.408 -1.255 17645 5228 1 13 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.006 -0.239 17645 5229 1 13 . 1 1 62 62 GLN CA C 77 59.770 59.770 58.904 0.866 17645 5230 1 13 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.203 0.878 17645 5231 1 13 . 1 1 62 62 GLN H H 77 8.295 8.295 8.278 0.017 17645 5232 1 13 . 1 1 63 63 LYS N N 78 118.200 118.200 120.003 -1.803 17645 5233 1 13 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.008 0.146 17645 5234 1 13 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.483 0.667 17645 5235 1 13 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.316 0.994 17645 5236 1 13 . 1 1 63 63 LYS H H 78 7.839 7.839 7.803 0.036 17645 5237 1 13 . 1 1 64 64 GLU N N 79 120.133 120.133 119.239 0.894 17645 5238 1 13 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.993 0.149 17645 5239 1 13 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.836 0.494 17645 5240 1 13 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.601 1.009 17645 5241 1 13 . 1 1 64 64 GLU H H 79 7.899 7.899 8.015 -0.116 17645 5242 1 13 . 1 1 65 65 TYR N N 80 122.505 122.505 119.213 3.292 17645 5243 1 13 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.216 -0.274 17645 5244 1 13 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.726 1.034 17645 5245 1 13 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.491 0.979 17645 5246 1 13 . 1 1 65 65 TYR H H 80 9.023 9.023 8.038 0.985 17645 5247 1 13 . 1 1 66 66 ASP N N 81 120.497 120.497 119.409 1.088 17645 5248 1 13 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.324 -0.107 17645 5249 1 13 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.617 0.483 17645 5250 1 13 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.718 -0.078 17645 5251 1 13 . 1 1 66 66 ASP H H 81 9.089 9.089 7.823 1.266 17645 5252 1 13 . 1 1 67 67 ALA N N 82 122.397 122.397 122.354 0.043 17645 5253 1 13 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.009 0.178 17645 5254 1 13 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.271 0.559 17645 5255 1 13 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.618 0.302 17645 5256 1 13 . 1 1 67 67 ALA H H 82 7.636 7.636 8.277 -0.641 17645 5257 1 13 . 1 1 68 68 LEU N N 83 121.806 121.806 118.124 3.682 17645 5258 1 13 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.061 0.084 17645 5259 1 13 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.601 0.679 17645 5260 1 13 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.747 1.113 17645 5261 1 13 . 1 1 68 68 LEU H H 83 7.727 7.727 7.665 0.062 17645 5262 1 13 . 1 1 69 69 VAL N N 84 123.560 123.560 120.245 3.315 17645 5263 1 13 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.597 -0.292 17645 5264 1 13 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.598 1.442 17645 5265 1 13 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.804 1.386 17645 5266 1 13 . 1 1 69 69 VAL H H 84 8.560 8.560 7.757 0.803 17645 5267 1 13 . 1 1 70 70 LYS N N 85 121.398 121.398 120.619 0.779 17645 5268 1 13 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.045 0.047 17645 5269 1 13 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.889 0.361 17645 5270 1 13 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.200 0.560 17645 5271 1 13 . 1 1 70 70 LYS H H 85 7.956 7.956 8.496 -0.540 17645 5272 1 13 . 1 1 71 71 SER N N 86 114.825 114.825 116.188 -1.363 17645 5273 1 13 . 1 1 71 71 SER HA H 86 4.298 4.298 4.176 0.122 17645 5274 1 13 . 1 1 71 71 SER CA C 86 62.810 62.810 61.286 1.524 17645 5275 1 13 . 1 1 71 71 SER CB C 86 63.640 63.640 63.009 0.631 17645 5276 1 13 . 1 1 71 71 SER H H 86 8.284 8.284 7.932 0.352 17645 5277 1 13 . 1 1 72 72 SER N N 87 118.845 118.845 116.990 1.855 17645 5278 1 13 . 1 1 72 72 SER HA H 87 4.269 4.269 4.007 0.262 17645 5279 1 13 . 1 1 72 72 SER CA C 87 62.940 62.940 61.184 1.756 17645 5280 1 13 . 1 1 72 72 SER CB C 87 63.870 63.870 62.853 1.017 17645 5281 1 13 . 1 1 72 72 SER H H 87 8.421 8.421 8.226 0.195 17645 5282 1 13 . 1 1 73 73 GLU N N 88 124.809 124.809 120.669 4.140 17645 5283 1 13 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.891 0.161 17645 5284 1 13 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.957 0.273 17645 5285 1 13 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.462 0.768 17645 5286 1 13 . 1 1 73 73 GLU H H 88 8.376 8.376 7.885 0.491 17645 5287 1 13 . 1 1 74 74 ASP N N 89 122.193 122.193 119.356 2.837 17645 5288 1 13 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.451 -0.040 17645 5289 1 13 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.655 1.255 17645 5290 1 13 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.789 -0.209 17645 5291 1 13 . 1 1 74 74 ASP H H 89 8.734 8.734 7.793 0.941 17645 5292 1 13 . 1 1 75 75 LEU N N 90 123.280 123.280 121.505 1.775 17645 5293 1 13 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.052 0.238 17645 5294 1 13 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.449 1.111 17645 5295 1 13 . 1 1 75 75 LEU CB C 90 42.030 42.030 42.053 -0.023 17645 5296 1 13 . 1 1 75 75 LEU H H 90 7.986 7.986 7.066 0.920 17645 5297 1 13 . 1 1 76 76 LEU N N 91 120.488 120.488 119.004 1.484 17645 5298 1 13 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.748 0.090 17645 5299 1 13 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.370 0.830 17645 5300 1 13 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.002 0.508 17645 5301 1 13 . 1 1 76 76 LEU H H 91 8.280 8.280 8.115 0.165 17645 5302 1 13 . 1 1 77 77 SER N N 92 113.817 113.817 114.840 -1.023 17645 5303 1 13 . 1 1 77 77 SER HA H 92 4.235 4.235 4.105 0.130 17645 5304 1 13 . 1 1 77 77 SER CA C 92 62.200 62.200 61.803 0.397 17645 5305 1 13 . 1 1 77 77 SER CB C 92 63.440 63.440 62.685 0.755 17645 5306 1 13 . 1 1 77 77 SER H H 92 8.219 8.219 7.939 0.280 17645 5307 1 13 . 1 1 78 78 ALA N N 93 124.902 124.902 123.993 0.909 17645 5308 1 13 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.055 0.111 17645 5309 1 13 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.759 1.101 17645 5310 1 13 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.440 0.320 17645 5311 1 13 . 1 1 78 78 ALA H H 93 7.949 7.949 7.706 0.243 17645 5312 1 13 . 1 1 79 79 LEU N N 94 120.602 120.602 120.731 -0.129 17645 5313 1 13 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.881 0.186 17645 5314 1 13 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.481 -0.011 17645 5315 1 13 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.877 0.733 17645 5316 1 13 . 1 1 79 79 LEU H H 94 8.587 8.587 8.120 0.467 17645 5317 1 13 . 1 1 80 80 GLN N N 95 119.525 119.525 117.903 1.622 17645 5318 1 13 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.892 0.156 17645 5319 1 13 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.670 -0.080 17645 5320 1 13 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.613 0.227 17645 5321 1 13 . 1 1 80 80 GLN H H 95 8.561 8.561 8.401 0.160 17645 5322 1 13 . 1 1 81 81 LYS N N 96 121.075 121.075 118.271 2.804 17645 5323 1 13 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.994 0.143 17645 5324 1 13 . 1 1 81 81 LYS CA C 96 60.050 60.050 58.897 1.153 17645 5325 1 13 . 1 1 81 81 LYS CB C 96 32.940 32.940 31.991 0.949 17645 5326 1 13 . 1 1 81 81 LYS H H 96 8.003 8.003 7.773 0.230 17645 5327 1 13 . 1 1 82 82 LYS N N 97 121.415 121.415 120.485 0.930 17645 5328 1 13 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.927 0.198 17645 5329 1 13 . 1 1 82 82 LYS CA C 97 59.970 59.970 60.157 -0.187 17645 5330 1 13 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.285 0.835 17645 5331 1 13 . 1 1 82 82 LYS H H 97 7.903 7.903 7.832 0.071 17645 5332 1 13 . 1 1 83 83 LYS N N 98 121.081 121.081 118.983 2.098 17645 5333 1 13 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.057 -0.075 17645 5334 1 13 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.303 0.706 17645 5335 1 13 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.246 0.874 17645 5336 1 13 . 1 1 83 83 LYS H H 98 8.202 8.202 7.687 0.515 17645 5337 1 13 . 1 1 84 84 GLN N N 99 119.576 119.576 117.238 2.338 17645 5338 1 13 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.125 -0.001 17645 5339 1 13 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.106 1.704 17645 5340 1 13 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.493 0.467 17645 5341 1 13 . 1 1 84 84 GLN H H 99 8.125 8.125 7.884 0.241 17645 5342 1 13 . 1 1 85 85 GLN N N 100 120.009 120.009 117.390 2.619 17645 5343 1 13 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.120 0.001 17645 5344 1 13 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.057 2.533 17645 5345 1 13 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.514 -0.494 17645 5346 1 13 . 1 1 85 85 GLN H H 100 8.341 8.341 7.690 0.651 17645 5347 1 13 . 1 1 86 86 GLU N N 101 121.718 121.718 116.212 5.506 17645 5348 1 13 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.998 0.137 17645 5349 1 13 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.313 3.117 17645 5350 1 13 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.671 0.469 17645 5351 1 13 . 1 1 86 86 GLU H H 101 8.275 8.275 7.932 0.343 17645 5352 1 13 . 1 1 87 87 GLU N N 102 121.412 121.412 121.017 0.395 17645 5353 1 13 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.154 -0.038 17645 5354 1 13 . 1 1 87 87 GLU CA C 102 59.960 59.960 58.496 1.464 17645 5355 1 13 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.159 0.131 17645 5356 1 13 . 1 1 87 87 GLU H H 102 8.330 8.330 8.638 -0.308 17645 5357 1 14 . 1 1 2 2 GLY N N 17 110.356 110.356 110.291 0.065 17645 5358 1 14 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.044 0.566 17645 5359 1 14 . 1 1 2 2 GLY H H 17 8.065 8.065 8.076 -0.011 17645 5360 1 14 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.536 -0.143 17645 5361 1 14 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.424 1.246 17645 5362 1 14 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.244 0.456 17645 5363 1 14 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.540 1.190 17645 5364 1 14 . 1 1 5 5 SER HA H 20 4.192 4.192 4.498 -0.306 17645 5365 1 14 . 1 1 5 5 SER CA C 20 60.960 60.960 58.741 2.219 17645 5366 1 14 . 1 1 5 5 SER CB C 20 64.250 64.250 63.701 0.549 17645 5367 1 14 . 1 1 6 6 LEU N N 21 122.731 122.731 124.930 -2.199 17645 5368 1 14 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.096 0.024 17645 5369 1 14 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.602 -0.882 17645 5370 1 14 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.960 1.010 17645 5371 1 14 . 1 1 6 6 LEU H H 21 8.052 8.052 7.570 0.482 17645 5372 1 14 . 1 1 7 7 VAL N N 22 119.948 119.948 119.165 0.783 17645 5373 1 14 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.493 0.260 17645 5374 1 14 . 1 1 7 7 VAL CA C 22 65.350 65.350 68.141 -2.791 17645 5375 1 14 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.343 1.257 17645 5376 1 14 . 1 1 7 7 VAL H H 22 7.676 7.676 7.663 0.013 17645 5377 1 14 . 1 1 8 8 LYS N N 23 122.400 122.400 119.392 3.008 17645 5378 1 14 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.123 0.064 17645 5379 1 14 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.656 -0.826 17645 5380 1 14 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.076 0.484 17645 5381 1 14 . 1 1 8 8 LYS H H 23 7.830 7.830 8.079 -0.249 17645 5382 1 14 . 1 1 9 9 VAL N N 24 121.205 121.205 118.350 2.855 17645 5383 1 14 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.614 0.212 17645 5384 1 14 . 1 1 9 9 VAL CA C 24 66.860 66.860 67.036 -0.176 17645 5385 1 14 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.264 1.186 17645 5386 1 14 . 1 1 9 9 VAL H H 24 8.194 8.194 7.679 0.515 17645 5387 1 14 . 1 1 10 10 GLY N N 25 107.900 107.900 106.851 1.049 17645 5388 1 14 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.479 0.181 17645 5389 1 14 . 1 1 10 10 GLY H H 25 8.446 8.446 8.198 0.248 17645 5390 1 14 . 1 1 11 11 THR N N 26 116.800 116.800 119.125 -2.325 17645 5391 1 14 . 1 1 11 11 THR HA H 26 4.109 4.109 3.840 0.269 17645 5392 1 14 . 1 1 11 11 THR CA C 26 66.300 66.300 66.682 -0.382 17645 5393 1 14 . 1 1 11 11 THR CB C 26 69.690 69.690 68.578 1.112 17645 5394 1 14 . 1 1 11 11 THR H H 26 7.992 7.992 8.193 -0.201 17645 5395 1 14 . 1 1 12 12 LEU N N 27 123.983 123.983 122.757 1.226 17645 5396 1 14 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.877 0.249 17645 5397 1 14 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.758 0.712 17645 5398 1 14 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.491 1.319 17645 5399 1 14 . 1 1 12 12 LEU H H 27 7.934 7.934 8.150 -0.216 17645 5400 1 14 . 1 1 13 13 LYS N N 28 117.513 117.513 117.875 -0.362 17645 5401 1 14 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.738 0.165 17645 5402 1 14 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.864 0.286 17645 5403 1 14 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.121 0.609 17645 5404 1 14 . 1 1 13 13 LYS H H 28 7.824 7.824 7.773 0.051 17645 5405 1 14 . 1 1 14 14 LYS N N 29 119.275 119.275 118.297 0.978 17645 5406 1 14 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.909 0.242 17645 5407 1 14 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.714 -0.254 17645 5408 1 14 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.029 0.721 17645 5409 1 14 . 1 1 14 14 LYS H H 29 7.685 7.685 7.612 0.073 17645 5410 1 14 . 1 1 15 15 ARG N N 30 119.090 119.090 119.480 -0.390 17645 5411 1 14 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.779 0.281 17645 5412 1 14 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.579 0.451 17645 5413 1 14 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.279 1.231 17645 5414 1 14 . 1 1 15 15 ARG H H 30 7.709 7.709 7.288 0.421 17645 5415 1 14 . 1 1 16 16 LEU N N 31 118.473 118.473 119.810 -1.337 17645 5416 1 14 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.855 0.122 17645 5417 1 14 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.558 -0.478 17645 5418 1 14 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.740 -0.420 17645 5419 1 14 . 1 1 16 16 LEU H H 31 7.595 7.595 7.614 -0.019 17645 5420 1 14 . 1 1 17 17 ASP N N 32 120.020 120.020 118.836 1.184 17645 5421 1 14 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.215 0.224 17645 5422 1 14 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.841 0.139 17645 5423 1 14 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.260 0.620 17645 5424 1 14 . 1 1 17 17 ASP H H 32 7.858 7.858 7.732 0.126 17645 5425 1 14 . 1 1 18 18 LYS N N 33 119.708 119.708 120.704 -0.996 17645 5426 1 14 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.988 0.210 17645 5427 1 14 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.673 -0.203 17645 5428 1 14 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.742 0.448 17645 5429 1 14 . 1 1 18 18 LYS H H 33 7.564 7.564 7.499 0.065 17645 5430 1 14 . 1 1 19 19 PHE N N 34 118.256 118.256 117.796 0.460 17645 5431 1 14 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.175 0.076 17645 5432 1 14 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.197 0.513 17645 5433 1 14 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.603 1.147 17645 5434 1 14 . 1 1 19 19 PHE H H 34 7.884 7.884 7.256 0.628 17645 5435 1 14 . 1 1 20 20 ASN N N 35 117.779 117.779 117.608 0.171 17645 5436 1 14 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.390 0.070 17645 5437 1 14 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.769 0.581 17645 5438 1 14 . 1 1 20 20 ASN CB C 35 39.000 39.000 37.946 1.054 17645 5439 1 14 . 1 1 20 20 ASN H H 35 8.054 8.054 8.028 0.026 17645 5440 1 14 . 1 1 21 21 GLU N N 36 120.312 120.312 120.612 -0.300 17645 5441 1 14 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.075 0.031 17645 5442 1 14 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.635 0.135 17645 5443 1 14 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.689 0.821 17645 5444 1 14 . 1 1 21 21 GLU H H 36 7.983 7.983 7.745 0.238 17645 5445 1 14 . 1 1 22 22 VAL N N 37 119.756 119.756 119.702 0.054 17645 5446 1 14 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.781 0.061 17645 5447 1 14 . 1 1 22 22 VAL CA C 37 66.110 66.110 65.934 0.176 17645 5448 1 14 . 1 1 22 22 VAL CB C 37 32.680 32.680 30.950 1.730 17645 5449 1 14 . 1 1 22 22 VAL H H 37 7.670 7.670 7.887 -0.217 17645 5450 1 14 . 1 1 23 23 VAL N N 38 118.300 118.300 120.314 -2.014 17645 5451 1 14 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.670 0.007 17645 5452 1 14 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.348 0.202 17645 5453 1 14 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.425 2.055 17645 5454 1 14 . 1 1 23 23 VAL H H 38 8.159 8.159 8.611 -0.452 17645 5455 1 14 . 1 1 24 24 SER N N 39 113.952 113.952 116.135 -2.183 17645 5456 1 14 . 1 1 24 24 SER HA H 39 4.170 4.170 4.285 -0.115 17645 5457 1 14 . 1 1 24 24 SER CA C 39 61.880 61.880 61.624 0.256 17645 5458 1 14 . 1 1 24 24 SER CB C 39 63.740 63.740 63.108 0.632 17645 5459 1 14 . 1 1 24 24 SER H H 39 7.773 7.773 8.092 -0.319 17645 5460 1 14 . 1 1 25 25 ALA N N 40 122.572 122.572 122.780 -0.208 17645 5461 1 14 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.344 0.081 17645 5462 1 14 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.508 -1.627 17645 5463 1 14 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.203 1.247 17645 5464 1 14 . 1 1 25 25 ALA H H 40 7.436 7.436 7.648 -0.212 17645 5465 1 14 . 1 1 26 26 LEU N N 41 120.677 120.677 114.030 6.647 17645 5466 1 14 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.417 -0.036 17645 5467 1 14 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.539 0.321 17645 5468 1 14 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.730 0.460 17645 5469 1 14 . 1 1 26 26 LEU H H 41 7.499 7.499 7.753 -0.254 17645 5470 1 14 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.001 0.284 17645 5471 1 14 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.454 0.796 17645 5472 1 14 . 1 1 27 27 LYS CB C 42 33.870 33.870 30.076 3.794 17645 5473 1 14 . 1 1 28 28 ASP N N 43 120.989 120.989 122.136 -1.147 17645 5474 1 14 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.744 0.057 17645 5475 1 14 . 1 1 28 28 ASP CA C 43 54.560 54.560 54.480 0.080 17645 5476 1 14 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.341 0.099 17645 5477 1 14 . 1 1 28 28 ASP H H 43 8.513 8.513 8.236 0.277 17645 5478 1 14 . 1 1 29 29 GLY N N 44 108.379 108.379 112.567 -4.188 17645 5479 1 14 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.482 1.058 17645 5480 1 14 . 1 1 29 29 GLY H H 44 8.425 8.425 8.635 -0.210 17645 5481 1 14 . 1 1 30 30 LYS N N 45 119.932 119.932 121.647 -1.715 17645 5482 1 14 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.202 -0.123 17645 5483 1 14 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.512 1.008 17645 5484 1 14 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.807 0.263 17645 5485 1 14 . 1 1 30 30 LYS H H 45 8.269 8.269 8.556 -0.287 17645 5486 1 14 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.302 0.006 17645 5487 1 14 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.322 0.718 17645 5488 1 14 . 1 1 31 31 PRO CB C 46 31.820 31.820 30.946 0.874 17645 5489 1 14 . 1 1 32 32 GLU N N 47 118.526 118.526 117.837 0.689 17645 5490 1 14 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.049 0.084 17645 5491 1 14 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.293 0.877 17645 5492 1 14 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.531 1.379 17645 5493 1 14 . 1 1 32 32 GLU H H 47 8.189 8.189 8.750 -0.561 17645 5494 1 14 . 1 1 33 33 VAL N N 48 120.183 120.183 121.442 -1.259 17645 5495 1 14 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.772 0.140 17645 5496 1 14 . 1 1 33 33 VAL CA C 48 66.300 66.300 64.797 1.503 17645 5497 1 14 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.583 0.777 17645 5498 1 14 . 1 1 33 33 VAL H H 48 7.744 7.744 7.681 0.063 17645 5499 1 14 . 1 1 34 34 ASN N N 49 119.700 119.700 118.473 1.227 17645 5500 1 14 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.478 -0.028 17645 5501 1 14 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.147 0.903 17645 5502 1 14 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.213 0.437 17645 5503 1 14 . 1 1 34 34 ASN H H 49 8.582 8.582 8.665 -0.083 17645 5504 1 14 . 1 1 35 35 ARG N N 50 121.009 121.009 119.597 1.412 17645 5505 1 14 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.047 0.090 17645 5506 1 14 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.501 0.269 17645 5507 1 14 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.640 1.130 17645 5508 1 14 . 1 1 35 35 ARG H H 50 7.848 7.848 8.317 -0.469 17645 5509 1 14 . 1 1 36 36 GLN N N 51 119.394 119.394 119.442 -0.048 17645 5510 1 14 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.085 -0.022 17645 5511 1 14 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.928 1.082 17645 5512 1 14 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.083 0.687 17645 5513 1 14 . 1 1 36 36 GLN H H 51 7.685 7.685 7.692 -0.007 17645 5514 1 14 . 1 1 37 37 ILE N N 52 122.006 122.006 120.077 1.929 17645 5515 1 14 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.728 -0.274 17645 5516 1 14 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.275 1.025 17645 5517 1 14 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.437 1.463 17645 5518 1 14 . 1 1 37 37 ILE H H 52 8.293 8.293 8.847 -0.554 17645 5519 1 14 . 1 1 38 38 LYS N N 53 121.163 121.163 120.859 0.304 17645 5520 1 14 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.003 0.168 17645 5521 1 14 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.750 -0.700 17645 5522 1 14 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.218 -0.288 17645 5523 1 14 . 1 1 38 38 LYS H H 53 8.169 8.169 7.865 0.304 17645 5524 1 14 . 1 1 39 39 ASN N N 54 117.219 117.219 118.628 -1.409 17645 5525 1 14 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.415 0.068 17645 5526 1 14 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.106 0.504 17645 5527 1 14 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.956 0.484 17645 5528 1 14 . 1 1 39 39 ASN H H 54 8.171 8.171 7.865 0.306 17645 5529 1 14 . 1 1 40 40 LEU N N 55 123.907 123.907 120.754 3.153 17645 5530 1 14 . 1 1 40 40 LEU HA H 55 4.205 4.205 3.917 0.288 17645 5531 1 14 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.398 0.442 17645 5532 1 14 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.303 0.767 17645 5533 1 14 . 1 1 40 40 LEU H H 55 7.702 7.702 7.999 -0.297 17645 5534 1 14 . 1 1 41 41 GLU N N 56 121.779 121.779 119.700 2.079 17645 5535 1 14 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.932 -0.230 17645 5536 1 14 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.882 1.568 17645 5537 1 14 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.796 0.534 17645 5538 1 14 . 1 1 41 41 GLU H H 56 8.442 8.442 7.842 0.600 17645 5539 1 14 . 1 1 42 42 ILE N N 57 119.133 119.133 119.675 -0.542 17645 5540 1 14 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.724 0.159 17645 5541 1 14 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.018 0.532 17645 5542 1 14 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.837 1.113 17645 5543 1 14 . 1 1 42 42 ILE H H 57 8.531 8.531 8.405 0.127 17645 5544 1 14 . 1 1 43 43 SER N N 58 118.622 118.622 116.564 2.058 17645 5545 1 14 . 1 1 43 43 SER HA H 58 4.322 4.322 4.045 0.277 17645 5546 1 14 . 1 1 43 43 SER CA C 58 62.940 62.940 62.055 0.885 17645 5547 1 14 . 1 1 43 43 SER CB C 58 63.500 63.500 63.128 0.372 17645 5548 1 14 . 1 1 43 43 SER H H 58 8.027 8.027 8.013 0.014 17645 5549 1 14 . 1 1 44 44 ILE N N 59 126.416 126.416 121.817 4.599 17645 5550 1 14 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.576 0.052 17645 5551 1 14 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.913 0.997 17645 5552 1 14 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.748 1.412 17645 5553 1 14 . 1 1 44 44 ILE H H 59 8.543 8.543 8.480 0.063 17645 5554 1 14 . 1 1 45 45 ASP N N 60 121.563 121.563 119.695 1.868 17645 5555 1 14 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.269 0.138 17645 5556 1 14 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.725 0.555 17645 5557 1 14 . 1 1 45 45 ASP CB C 60 40.760 40.760 41.075 -0.315 17645 5558 1 14 . 1 1 45 45 ASP H H 60 8.406 8.406 7.948 0.458 17645 5559 1 14 . 1 1 46 46 ALA N N 61 123.500 123.500 122.652 0.848 17645 5560 1 14 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.049 0.153 17645 5561 1 14 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.126 0.584 17645 5562 1 14 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.403 0.257 17645 5563 1 14 . 1 1 46 46 ALA H H 61 8.538 8.538 8.125 0.413 17645 5564 1 14 . 1 1 47 47 LEU N N 62 121.942 121.942 119.735 2.207 17645 5565 1 14 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.865 0.429 17645 5566 1 14 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.705 -0.045 17645 5567 1 14 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.840 -0.700 17645 5568 1 14 . 1 1 47 47 LEU H H 62 7.801 7.801 7.769 0.032 17645 5569 1 14 . 1 1 48 48 MET N N 63 118.068 118.068 118.502 -0.434 17645 5570 1 14 . 1 1 48 48 MET HA H 63 3.945 3.945 3.864 0.081 17645 5571 1 14 . 1 1 48 48 MET CA C 63 60.330 60.330 59.382 0.948 17645 5572 1 14 . 1 1 48 48 MET CB C 63 33.110 33.110 32.448 0.662 17645 5573 1 14 . 1 1 48 48 MET H H 63 8.261 8.261 7.779 0.482 17645 5574 1 14 . 1 1 49 49 ALA N N 64 120.428 120.428 117.914 2.514 17645 5575 1 14 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.080 0.021 17645 5576 1 14 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.560 1.210 17645 5577 1 14 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.299 0.471 17645 5578 1 14 . 1 1 49 49 ALA H H 64 8.045 8.045 7.718 0.327 17645 5579 1 14 . 1 1 50 50 LYS N N 65 121.947 121.947 116.715 5.232 17645 5580 1 14 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.253 -0.214 17645 5581 1 14 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.395 2.125 17645 5582 1 14 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.944 0.736 17645 5583 1 14 . 1 1 50 50 LYS H H 65 8.063 8.063 7.640 0.423 17645 5584 1 14 . 1 1 51 51 ILE N N 66 121.189 121.189 118.141 3.048 17645 5585 1 14 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.915 -0.165 17645 5586 1 14 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.988 2.752 17645 5587 1 14 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.418 1.702 17645 5588 1 14 . 1 1 51 51 ILE H H 66 8.437 8.437 8.248 0.189 17645 5589 1 14 . 1 1 52 52 LYS N N 67 117.119 117.119 117.881 -0.762 17645 5590 1 14 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.367 -0.231 17645 5591 1 14 . 1 1 52 52 LYS CA C 67 59.210 59.210 56.451 2.759 17645 5592 1 14 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.075 0.605 17645 5593 1 14 . 1 1 52 52 LYS H H 67 7.622 7.622 7.766 -0.144 17645 5594 1 14 . 1 1 53 53 SER N N 68 111.824 111.824 113.637 -1.813 17645 5595 1 14 . 1 1 53 53 SER HA H 68 4.602 4.602 4.651 -0.049 17645 5596 1 14 . 1 1 53 53 SER CA C 68 59.960 59.960 58.657 1.303 17645 5597 1 14 . 1 1 53 53 SER CB C 68 65.750 65.750 64.193 1.557 17645 5598 1 14 . 1 1 53 53 SER H H 68 7.750 7.750 7.572 0.178 17645 5599 1 14 . 1 1 54 54 THR N N 69 115.916 115.916 113.497 2.419 17645 5600 1 14 . 1 1 54 54 THR HA H 69 4.596 4.596 4.554 0.042 17645 5601 1 14 . 1 1 54 54 THR CA C 69 62.460 62.460 61.676 0.784 17645 5602 1 14 . 1 1 54 54 THR CB C 69 71.650 71.650 70.014 1.636 17645 5603 1 14 . 1 1 54 54 THR H H 69 7.972 7.972 7.405 0.567 17645 5604 1 14 . 1 1 55 55 MET N N 70 121.343 121.343 120.905 0.438 17645 5605 1 14 . 1 1 55 55 MET HA H 70 4.551 4.551 4.655 -0.104 17645 5606 1 14 . 1 1 55 55 MET CA C 70 56.050 56.050 54.500 1.550 17645 5607 1 14 . 1 1 55 55 MET CB C 70 32.500 32.500 32.982 -0.482 17645 5608 1 14 . 1 1 55 55 MET H H 70 8.306 8.306 8.508 -0.202 17645 5609 1 14 . 1 1 56 56 MET N N 71 123.196 123.196 120.992 2.204 17645 5610 1 14 . 1 1 56 56 MET HA H 71 4.706 4.706 4.395 0.311 17645 5611 1 14 . 1 1 56 56 MET CA C 71 55.860 55.860 56.004 -0.144 17645 5612 1 14 . 1 1 56 56 MET CB C 71 37.620 37.620 32.865 4.755 17645 5613 1 14 . 1 1 56 56 MET H H 71 8.114 8.114 7.625 0.489 17645 5614 1 14 . 1 1 57 57 THR N N 72 113.158 113.158 116.921 -3.763 17645 5615 1 14 . 1 1 57 57 THR HA H 72 4.483 4.483 4.589 -0.106 17645 5616 1 14 . 1 1 57 57 THR CA C 72 61.080 61.080 61.537 -0.457 17645 5617 1 14 . 1 1 57 57 THR CB C 72 71.670 71.670 69.862 1.808 17645 5618 1 14 . 1 1 57 57 THR H H 72 8.486 8.486 8.190 0.296 17645 5619 1 14 . 1 1 58 58 ARG N N 73 121.911 121.911 125.374 -3.463 17645 5620 1 14 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.895 0.014 17645 5621 1 14 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.678 0.842 17645 5622 1 14 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.292 1.038 17645 5623 1 14 . 1 1 58 58 ARG H H 73 8.961 8.961 8.894 0.067 17645 5624 1 14 . 1 1 59 59 GLU N N 74 118.955 118.955 119.017 -0.062 17645 5625 1 14 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.039 -0.007 17645 5626 1 14 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.028 0.862 17645 5627 1 14 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.993 0.967 17645 5628 1 14 . 1 1 59 59 GLU H H 74 8.833 8.833 8.840 -0.007 17645 5629 1 14 . 1 1 60 60 GLN N N 75 121.077 121.077 118.062 3.015 17645 5630 1 14 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.119 -0.129 17645 5631 1 14 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.675 0.725 17645 5632 1 14 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.654 0.736 17645 5633 1 14 . 1 1 60 60 GLN H H 75 7.801 7.801 7.754 0.047 17645 5634 1 14 . 1 1 61 61 ILE N N 76 120.016 120.016 119.912 0.104 17645 5635 1 14 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.900 -0.471 17645 5636 1 14 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.950 3.910 17645 5637 1 14 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.710 2.000 17645 5638 1 14 . 1 1 61 61 ILE H H 76 8.250 8.250 7.527 0.723 17645 5639 1 14 . 1 1 62 62 GLN N N 77 119.153 119.153 120.176 -1.023 17645 5640 1 14 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.059 -0.292 17645 5641 1 14 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.343 0.427 17645 5642 1 14 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.435 0.645 17645 5643 1 14 . 1 1 62 62 GLN H H 77 8.295 8.295 8.121 0.174 17645 5644 1 14 . 1 1 63 63 LYS N N 78 118.200 118.200 120.309 -2.109 17645 5645 1 14 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.011 0.143 17645 5646 1 14 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.887 0.263 17645 5647 1 14 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.367 0.943 17645 5648 1 14 . 1 1 63 63 LYS H H 78 7.839 7.839 7.837 0.002 17645 5649 1 14 . 1 1 64 64 GLU N N 79 120.133 120.133 119.460 0.673 17645 5650 1 14 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.998 0.144 17645 5651 1 14 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.586 0.744 17645 5652 1 14 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.637 0.973 17645 5653 1 14 . 1 1 64 64 GLU H H 79 7.899 7.899 7.969 -0.070 17645 5654 1 14 . 1 1 65 65 TYR N N 80 122.505 122.505 119.699 2.806 17645 5655 1 14 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.230 -0.288 17645 5656 1 14 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.482 1.278 17645 5657 1 14 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.397 1.073 17645 5658 1 14 . 1 1 65 65 TYR H H 80 9.023 9.023 7.930 1.093 17645 5659 1 14 . 1 1 66 66 ASP N N 81 120.497 120.497 119.163 1.334 17645 5660 1 14 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.386 -0.169 17645 5661 1 14 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.798 0.302 17645 5662 1 14 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.636 0.004 17645 5663 1 14 . 1 1 66 66 ASP H H 81 9.089 9.089 7.789 1.300 17645 5664 1 14 . 1 1 67 67 ALA N N 82 122.397 122.397 122.429 -0.032 17645 5665 1 14 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.123 0.064 17645 5666 1 14 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.154 0.676 17645 5667 1 14 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.447 0.473 17645 5668 1 14 . 1 1 67 67 ALA H H 82 7.636 7.636 8.230 -0.594 17645 5669 1 14 . 1 1 68 68 LEU N N 83 121.806 121.806 118.718 3.088 17645 5670 1 14 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.087 0.058 17645 5671 1 14 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.636 0.644 17645 5672 1 14 . 1 1 68 68 LEU CB C 83 42.860 42.860 42.009 0.851 17645 5673 1 14 . 1 1 68 68 LEU H H 83 7.727 7.727 7.721 0.006 17645 5674 1 14 . 1 1 69 69 VAL N N 84 123.560 123.560 120.640 2.920 17645 5675 1 14 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.758 -0.453 17645 5676 1 14 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.419 1.621 17645 5677 1 14 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.184 1.006 17645 5678 1 14 . 1 1 69 69 VAL H H 84 8.560 8.560 8.023 0.537 17645 5679 1 14 . 1 1 70 70 LYS N N 85 121.398 121.398 120.607 0.791 17645 5680 1 14 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.001 0.091 17645 5681 1 14 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.693 0.557 17645 5682 1 14 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.273 0.487 17645 5683 1 14 . 1 1 70 70 LYS H H 85 7.956 7.956 8.544 -0.588 17645 5684 1 14 . 1 1 71 71 SER N N 86 114.825 114.825 114.581 0.244 17645 5685 1 14 . 1 1 71 71 SER HA H 86 4.298 4.298 4.168 0.130 17645 5686 1 14 . 1 1 71 71 SER CA C 86 62.810 62.810 61.889 0.921 17645 5687 1 14 . 1 1 71 71 SER CB C 86 63.640 63.640 63.056 0.584 17645 5688 1 14 . 1 1 71 71 SER H H 86 8.284 8.284 7.858 0.426 17645 5689 1 14 . 1 1 72 72 SER N N 87 118.845 118.845 116.998 1.847 17645 5690 1 14 . 1 1 72 72 SER HA H 87 4.269 4.269 3.929 0.340 17645 5691 1 14 . 1 1 72 72 SER CA C 87 62.940 62.940 61.819 1.121 17645 5692 1 14 . 1 1 72 72 SER CB C 87 63.870 63.870 62.743 1.127 17645 5693 1 14 . 1 1 72 72 SER H H 87 8.421 8.421 8.285 0.136 17645 5694 1 14 . 1 1 73 73 GLU N N 88 124.809 124.809 122.100 2.709 17645 5695 1 14 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.971 0.081 17645 5696 1 14 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.847 0.383 17645 5697 1 14 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.322 0.908 17645 5698 1 14 . 1 1 73 73 GLU H H 88 8.376 8.376 7.901 0.475 17645 5699 1 14 . 1 1 74 74 ASP N N 89 122.193 122.193 119.741 2.452 17645 5700 1 14 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.415 -0.004 17645 5701 1 14 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.984 0.926 17645 5702 1 14 . 1 1 74 74 ASP CB C 89 40.580 40.580 41.054 -0.474 17645 5703 1 14 . 1 1 74 74 ASP H H 89 8.734 8.734 7.707 1.027 17645 5704 1 14 . 1 1 75 75 LEU N N 90 123.280 123.280 121.658 1.622 17645 5705 1 14 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.928 0.362 17645 5706 1 14 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.907 0.653 17645 5707 1 14 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.783 0.247 17645 5708 1 14 . 1 1 75 75 LEU H H 90 7.986 7.986 7.411 0.575 17645 5709 1 14 . 1 1 76 76 LEU N N 91 120.488 120.488 118.436 2.052 17645 5710 1 14 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.747 0.091 17645 5711 1 14 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.394 0.806 17645 5712 1 14 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.067 0.443 17645 5713 1 14 . 1 1 76 76 LEU H H 91 8.280 8.280 7.820 0.460 17645 5714 1 14 . 1 1 77 77 SER N N 92 113.817 113.817 114.678 -0.861 17645 5715 1 14 . 1 1 77 77 SER HA H 92 4.235 4.235 3.985 0.250 17645 5716 1 14 . 1 1 77 77 SER CA C 92 62.200 62.200 61.417 0.783 17645 5717 1 14 . 1 1 77 77 SER CB C 92 63.440 63.440 62.896 0.544 17645 5718 1 14 . 1 1 77 77 SER H H 92 8.219 8.219 7.826 0.393 17645 5719 1 14 . 1 1 78 78 ALA N N 93 124.902 124.902 124.992 -0.090 17645 5720 1 14 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.105 0.061 17645 5721 1 14 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.890 0.970 17645 5722 1 14 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.295 0.465 17645 5723 1 14 . 1 1 78 78 ALA H H 93 7.949 7.949 7.968 -0.019 17645 5724 1 14 . 1 1 79 79 LEU N N 94 120.602 120.602 120.453 0.149 17645 5725 1 14 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.878 0.189 17645 5726 1 14 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.675 -0.205 17645 5727 1 14 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.596 1.014 17645 5728 1 14 . 1 1 79 79 LEU H H 94 8.587 8.587 8.471 0.116 17645 5729 1 14 . 1 1 80 80 GLN N N 95 119.525 119.525 117.524 2.001 17645 5730 1 14 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.925 0.123 17645 5731 1 14 . 1 1 80 80 GLN CA C 95 59.590 59.590 58.830 0.760 17645 5732 1 14 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.073 0.767 17645 5733 1 14 . 1 1 80 80 GLN H H 95 8.561 8.561 8.399 0.162 17645 5734 1 14 . 1 1 81 81 LYS N N 96 121.075 121.075 120.475 0.600 17645 5735 1 14 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.920 0.217 17645 5736 1 14 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.836 0.214 17645 5737 1 14 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.353 0.587 17645 5738 1 14 . 1 1 81 81 LYS H H 96 8.003 8.003 7.706 0.297 17645 5739 1 14 . 1 1 82 82 LYS N N 97 121.415 121.415 118.351 3.064 17645 5740 1 14 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.930 0.195 17645 5741 1 14 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.652 0.318 17645 5742 1 14 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.186 0.934 17645 5743 1 14 . 1 1 82 82 LYS H H 97 7.903 7.903 8.173 -0.270 17645 5744 1 14 . 1 1 83 83 LYS N N 98 121.081 121.081 119.986 1.095 17645 5745 1 14 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.153 -0.171 17645 5746 1 14 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.536 0.474 17645 5747 1 14 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.329 0.791 17645 5748 1 14 . 1 1 83 83 LYS H H 98 8.202 8.202 7.810 0.392 17645 5749 1 14 . 1 1 84 84 GLN N N 99 119.576 119.576 117.170 2.406 17645 5750 1 14 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.071 0.053 17645 5751 1 14 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.111 1.699 17645 5752 1 14 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.696 0.264 17645 5753 1 14 . 1 1 84 84 GLN H H 99 8.125 8.125 7.756 0.369 17645 5754 1 14 . 1 1 85 85 GLN N N 100 120.009 120.009 117.774 2.235 17645 5755 1 14 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.190 -0.069 17645 5756 1 14 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.880 1.710 17645 5757 1 14 . 1 1 85 85 GLN CB C 100 29.020 29.020 30.043 -1.023 17645 5758 1 14 . 1 1 85 85 GLN H H 100 8.341 8.341 7.798 0.543 17645 5759 1 14 . 1 1 86 86 GLU N N 101 121.718 121.718 117.968 3.750 17645 5760 1 14 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.512 -0.377 17645 5761 1 14 . 1 1 86 86 GLU CA C 101 60.430 60.430 55.219 5.211 17645 5762 1 14 . 1 1 86 86 GLU CB C 101 30.140 30.140 32.127 -1.988 17645 5763 1 14 . 1 1 86 86 GLU H H 101 8.275 8.275 8.288 -0.013 17645 5764 1 14 . 1 1 87 87 GLU N N 102 121.412 121.412 120.503 0.909 17645 5765 1 14 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.247 -0.131 17645 5766 1 14 . 1 1 87 87 GLU CA C 102 59.960 59.960 57.439 2.521 17645 5767 1 14 . 1 1 87 87 GLU CB C 102 30.290 30.290 31.076 -0.786 17645 5768 1 14 . 1 1 87 87 GLU H H 102 8.330 8.330 8.796 -0.466 17645 5769 1 15 . 1 1 2 2 GLY N N 17 110.356 110.356 108.895 1.461 17645 5770 1 15 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.899 -0.289 17645 5771 1 15 . 1 1 2 2 GLY H H 17 8.065 8.065 7.996 0.069 17645 5772 1 15 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.252 0.141 17645 5773 1 15 . 1 1 3 3 PRO CA C 18 64.670 64.670 64.054 0.616 17645 5774 1 15 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.207 0.493 17645 5775 1 15 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.816 0.914 17645 5776 1 15 . 1 1 5 5 SER HA H 20 4.192 4.192 4.578 -0.386 17645 5777 1 15 . 1 1 5 5 SER CA C 20 60.960 60.960 60.977 -0.017 17645 5778 1 15 . 1 1 5 5 SER CB C 20 64.250 64.250 63.946 0.304 17645 5779 1 15 . 1 1 6 6 LEU N N 21 122.731 122.731 122.153 0.578 17645 5780 1 15 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.071 0.049 17645 5781 1 15 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.592 0.129 17645 5782 1 15 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.781 1.189 17645 5783 1 15 . 1 1 6 6 LEU H H 21 8.052 8.052 7.536 0.516 17645 5784 1 15 . 1 1 7 7 VAL N N 22 119.948 119.948 118.932 1.016 17645 5785 1 15 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.580 0.173 17645 5786 1 15 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.153 -0.803 17645 5787 1 15 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.595 1.005 17645 5788 1 15 . 1 1 7 7 VAL H H 22 7.676 7.676 7.794 -0.118 17645 5789 1 15 . 1 1 8 8 LYS N N 23 122.400 122.400 118.972 3.428 17645 5790 1 15 . 1 1 8 8 LYS HA H 23 4.187 4.187 3.969 0.218 17645 5791 1 15 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.340 -0.510 17645 5792 1 15 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.199 0.361 17645 5793 1 15 . 1 1 8 8 LYS H H 23 7.830 7.830 8.018 -0.188 17645 5794 1 15 . 1 1 9 9 VAL N N 24 121.205 121.205 118.574 2.631 17645 5795 1 15 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.714 0.112 17645 5796 1 15 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.583 0.277 17645 5797 1 15 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.995 1.455 17645 5798 1 15 . 1 1 9 9 VAL H H 24 8.194 8.194 7.766 0.428 17645 5799 1 15 . 1 1 10 10 GLY N N 25 107.900 107.900 107.086 0.814 17645 5800 1 15 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.524 0.136 17645 5801 1 15 . 1 1 10 10 GLY H H 25 8.446 8.446 8.530 -0.084 17645 5802 1 15 . 1 1 11 11 THR N N 26 116.800 116.800 119.027 -2.227 17645 5803 1 15 . 1 1 11 11 THR HA H 26 4.109 4.109 3.895 0.214 17645 5804 1 15 . 1 1 11 11 THR CA C 26 66.300 66.300 66.618 -0.318 17645 5805 1 15 . 1 1 11 11 THR CB C 26 69.690 69.690 68.527 1.163 17645 5806 1 15 . 1 1 11 11 THR H H 26 7.992 7.992 7.853 0.140 17645 5807 1 15 . 1 1 12 12 LEU N N 27 123.983 123.983 123.040 0.943 17645 5808 1 15 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.068 0.059 17645 5809 1 15 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.052 0.418 17645 5810 1 15 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.704 1.106 17645 5811 1 15 . 1 1 12 12 LEU H H 27 7.934 7.934 7.846 0.088 17645 5812 1 15 . 1 1 13 13 LYS N N 28 117.513 117.513 118.791 -1.278 17645 5813 1 15 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.816 0.087 17645 5814 1 15 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.983 0.167 17645 5815 1 15 . 1 1 13 13 LYS CB C 28 32.730 32.730 31.926 0.804 17645 5816 1 15 . 1 1 13 13 LYS H H 28 7.824 7.824 7.714 0.110 17645 5817 1 15 . 1 1 14 14 LYS N N 29 119.275 119.275 118.412 0.863 17645 5818 1 15 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.951 0.200 17645 5819 1 15 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.779 -0.319 17645 5820 1 15 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.171 0.579 17645 5821 1 15 . 1 1 14 14 LYS H H 29 7.685 7.685 7.753 -0.068 17645 5822 1 15 . 1 1 15 15 ARG N N 30 119.090 119.090 119.954 -0.864 17645 5823 1 15 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.881 0.179 17645 5824 1 15 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.578 0.452 17645 5825 1 15 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.488 1.022 17645 5826 1 15 . 1 1 15 15 ARG H H 30 7.709 7.709 7.267 0.442 17645 5827 1 15 . 1 1 16 16 LEU N N 31 118.473 118.473 119.598 -1.125 17645 5828 1 15 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.587 0.390 17645 5829 1 15 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.537 -0.457 17645 5830 1 15 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.554 -0.234 17645 5831 1 15 . 1 1 16 16 LEU H H 31 7.595 7.595 7.897 -0.302 17645 5832 1 15 . 1 1 17 17 ASP N N 32 120.020 120.020 118.567 1.453 17645 5833 1 15 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.226 0.213 17645 5834 1 15 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.391 0.589 17645 5835 1 15 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.738 0.142 17645 5836 1 15 . 1 1 17 17 ASP H H 32 7.858 7.858 7.771 0.087 17645 5837 1 15 . 1 1 18 18 LYS N N 33 119.708 119.708 120.147 -0.439 17645 5838 1 15 . 1 1 18 18 LYS HA H 33 4.198 4.198 4.045 0.153 17645 5839 1 15 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.624 -0.154 17645 5840 1 15 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.749 0.441 17645 5841 1 15 . 1 1 18 18 LYS H H 33 7.564 7.564 7.448 0.116 17645 5842 1 15 . 1 1 19 19 PHE N N 34 118.256 118.256 117.884 0.372 17645 5843 1 15 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.246 0.005 17645 5844 1 15 . 1 1 19 19 PHE CA C 34 60.710 60.710 59.113 1.597 17645 5845 1 15 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.628 1.122 17645 5846 1 15 . 1 1 19 19 PHE H H 34 7.884 7.884 7.679 0.205 17645 5847 1 15 . 1 1 20 20 ASN N N 35 117.779 117.779 117.954 -0.175 17645 5848 1 15 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.394 0.066 17645 5849 1 15 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.527 0.823 17645 5850 1 15 . 1 1 20 20 ASN CB C 35 39.000 39.000 37.862 1.138 17645 5851 1 15 . 1 1 20 20 ASN H H 35 8.054 8.054 8.074 -0.020 17645 5852 1 15 . 1 1 21 21 GLU N N 36 120.312 120.312 121.125 -0.813 17645 5853 1 15 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.063 0.043 17645 5854 1 15 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.574 0.196 17645 5855 1 15 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.752 0.758 17645 5856 1 15 . 1 1 21 21 GLU H H 36 7.983 7.983 7.814 0.169 17645 5857 1 15 . 1 1 22 22 VAL N N 37 119.756 119.756 119.620 0.136 17645 5858 1 15 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.688 0.154 17645 5859 1 15 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.228 -0.118 17645 5860 1 15 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.697 0.983 17645 5861 1 15 . 1 1 22 22 VAL H H 37 7.670 7.670 7.842 -0.172 17645 5862 1 15 . 1 1 23 23 VAL N N 38 118.300 118.300 118.746 -0.446 17645 5863 1 15 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.767 -0.090 17645 5864 1 15 . 1 1 23 23 VAL CA C 38 66.550 66.550 64.784 1.766 17645 5865 1 15 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.693 1.787 17645 5866 1 15 . 1 1 23 23 VAL H H 38 8.159 8.159 8.422 -0.263 17645 5867 1 15 . 1 1 24 24 SER N N 39 113.952 113.952 116.678 -2.726 17645 5868 1 15 . 1 1 24 24 SER HA H 39 4.170 4.170 4.180 -0.010 17645 5869 1 15 . 1 1 24 24 SER CA C 39 61.880 61.880 61.313 0.567 17645 5870 1 15 . 1 1 24 24 SER CB C 39 63.740 63.740 63.171 0.569 17645 5871 1 15 . 1 1 24 24 SER H H 39 7.773 7.773 8.424 -0.651 17645 5872 1 15 . 1 1 25 25 ALA N N 40 122.572 122.572 122.927 -0.355 17645 5873 1 15 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.254 0.171 17645 5874 1 15 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.073 -1.193 17645 5875 1 15 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.680 1.770 17645 5876 1 15 . 1 1 25 25 ALA H H 40 7.436 7.436 7.572 -0.136 17645 5877 1 15 . 1 1 26 26 LEU N N 41 120.677 120.677 118.203 2.474 17645 5878 1 15 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.062 0.319 17645 5879 1 15 . 1 1 26 26 LEU CA C 41 55.860 55.860 56.249 -0.390 17645 5880 1 15 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.244 0.946 17645 5881 1 15 . 1 1 26 26 LEU H H 41 7.499 7.499 7.201 0.298 17645 5882 1 15 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.019 0.266 17645 5883 1 15 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.607 0.643 17645 5884 1 15 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.308 2.562 17645 5885 1 15 . 1 1 28 28 ASP N N 43 120.989 120.989 118.430 2.559 17645 5886 1 15 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.755 0.046 17645 5887 1 15 . 1 1 28 28 ASP CA C 43 54.560 54.560 53.469 1.091 17645 5888 1 15 . 1 1 28 28 ASP CB C 43 43.440 43.440 43.124 0.316 17645 5889 1 15 . 1 1 28 28 ASP H H 43 8.513 8.513 7.848 0.665 17645 5890 1 15 . 1 1 29 29 GLY N N 44 108.379 108.379 114.108 -5.729 17645 5891 1 15 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.485 1.055 17645 5892 1 15 . 1 1 29 29 GLY H H 44 8.425 8.425 8.638 -0.213 17645 5893 1 15 . 1 1 30 30 LYS N N 45 119.932 119.932 121.028 -1.096 17645 5894 1 15 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.303 -0.224 17645 5895 1 15 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.147 1.373 17645 5896 1 15 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.740 0.330 17645 5897 1 15 . 1 1 30 30 LYS H H 45 8.269 8.269 8.378 -0.109 17645 5898 1 15 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.246 0.062 17645 5899 1 15 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.334 0.706 17645 5900 1 15 . 1 1 31 31 PRO CB C 46 31.820 31.820 30.864 0.956 17645 5901 1 15 . 1 1 32 32 GLU N N 47 118.526 118.526 117.158 1.368 17645 5902 1 15 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.046 0.087 17645 5903 1 15 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.313 0.857 17645 5904 1 15 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.616 1.294 17645 5905 1 15 . 1 1 32 32 GLU H H 47 8.189 8.189 8.947 -0.758 17645 5906 1 15 . 1 1 33 33 VAL N N 48 120.183 120.183 120.895 -0.712 17645 5907 1 15 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.656 0.256 17645 5908 1 15 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.189 0.111 17645 5909 1 15 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.062 1.298 17645 5910 1 15 . 1 1 33 33 VAL H H 48 7.744 7.744 7.422 0.322 17645 5911 1 15 . 1 1 34 34 ASN N N 49 119.700 119.700 118.416 1.284 17645 5912 1 15 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.440 0.010 17645 5913 1 15 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.694 0.356 17645 5914 1 15 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.445 0.205 17645 5915 1 15 . 1 1 34 34 ASN H H 49 8.582 8.582 8.694 -0.112 17645 5916 1 15 . 1 1 35 35 ARG N N 50 121.009 121.009 119.628 1.381 17645 5917 1 15 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.152 -0.015 17645 5918 1 15 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.133 0.638 17645 5919 1 15 . 1 1 35 35 ARG CB C 50 30.770 30.770 29.646 1.124 17645 5920 1 15 . 1 1 35 35 ARG H H 50 7.848 7.848 8.339 -0.491 17645 5921 1 15 . 1 1 36 36 GLN N N 51 119.394 119.394 120.029 -0.635 17645 5922 1 15 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.177 -0.114 17645 5923 1 15 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.671 1.339 17645 5924 1 15 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.223 0.547 17645 5925 1 15 . 1 1 36 36 GLN H H 51 7.685 7.685 7.667 0.018 17645 5926 1 15 . 1 1 37 37 ILE N N 52 122.006 122.006 119.353 2.653 17645 5927 1 15 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.747 -0.293 17645 5928 1 15 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.592 0.708 17645 5929 1 15 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.535 1.365 17645 5930 1 15 . 1 1 37 37 ILE H H 52 8.293 8.293 8.910 -0.617 17645 5931 1 15 . 1 1 38 38 LYS N N 53 121.163 121.163 121.170 -0.007 17645 5932 1 15 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.942 0.229 17645 5933 1 15 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.034 -0.984 17645 5934 1 15 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.383 -0.453 17645 5935 1 15 . 1 1 38 38 LYS H H 53 8.169 8.169 8.103 0.066 17645 5936 1 15 . 1 1 39 39 ASN N N 54 117.219 117.219 118.180 -0.961 17645 5937 1 15 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.463 0.020 17645 5938 1 15 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.746 0.864 17645 5939 1 15 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.681 0.759 17645 5940 1 15 . 1 1 39 39 ASN H H 54 8.171 8.171 7.975 0.196 17645 5941 1 15 . 1 1 40 40 LEU N N 55 123.907 123.907 121.312 2.595 17645 5942 1 15 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.103 0.102 17645 5943 1 15 . 1 1 40 40 LEU CA C 55 58.840 58.840 57.989 0.851 17645 5944 1 15 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.796 0.274 17645 5945 1 15 . 1 1 40 40 LEU H H 55 7.702 7.702 7.806 -0.104 17645 5946 1 15 . 1 1 41 41 GLU N N 56 121.779 121.779 120.485 1.294 17645 5947 1 15 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.025 -0.323 17645 5948 1 15 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.618 1.832 17645 5949 1 15 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.432 0.898 17645 5950 1 15 . 1 1 41 41 GLU H H 56 8.442 8.442 7.985 0.457 17645 5951 1 15 . 1 1 42 42 ILE N N 57 119.133 119.133 119.599 -0.466 17645 5952 1 15 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.723 0.160 17645 5953 1 15 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.034 0.516 17645 5954 1 15 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.816 1.134 17645 5955 1 15 . 1 1 42 42 ILE H H 57 8.531 8.531 8.257 0.274 17645 5956 1 15 . 1 1 43 43 SER N N 58 118.622 118.622 116.867 1.755 17645 5957 1 15 . 1 1 43 43 SER HA H 58 4.322 4.322 4.062 0.260 17645 5958 1 15 . 1 1 43 43 SER CA C 58 62.940 62.940 62.348 0.592 17645 5959 1 15 . 1 1 43 43 SER CB C 58 63.500 63.500 63.115 0.385 17645 5960 1 15 . 1 1 43 43 SER H H 58 8.027 8.027 7.610 0.417 17645 5961 1 15 . 1 1 44 44 ILE N N 59 126.416 126.416 121.918 4.498 17645 5962 1 15 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.627 0.001 17645 5963 1 15 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.769 1.141 17645 5964 1 15 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.907 1.253 17645 5965 1 15 . 1 1 44 44 ILE H H 59 8.543 8.543 8.301 0.242 17645 5966 1 15 . 1 1 45 45 ASP N N 60 121.563 121.563 119.635 1.928 17645 5967 1 15 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.281 0.126 17645 5968 1 15 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.699 0.581 17645 5969 1 15 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.853 -0.093 17645 5970 1 15 . 1 1 45 45 ASP H H 60 8.406 8.406 8.151 0.255 17645 5971 1 15 . 1 1 46 46 ALA N N 61 123.500 123.500 122.366 1.134 17645 5972 1 15 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.056 0.146 17645 5973 1 15 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.135 0.575 17645 5974 1 15 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.419 0.241 17645 5975 1 15 . 1 1 46 46 ALA H H 61 8.538 8.538 8.119 0.419 17645 5976 1 15 . 1 1 47 47 LEU N N 62 121.942 121.942 119.691 2.251 17645 5977 1 15 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.899 0.395 17645 5978 1 15 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.550 0.110 17645 5979 1 15 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.812 -0.672 17645 5980 1 15 . 1 1 47 47 LEU H H 62 7.801 7.801 7.749 0.052 17645 5981 1 15 . 1 1 48 48 MET N N 63 118.068 118.068 118.801 -0.733 17645 5982 1 15 . 1 1 48 48 MET HA H 63 3.945 3.945 3.912 0.033 17645 5983 1 15 . 1 1 48 48 MET CA C 63 60.330 60.330 58.158 2.172 17645 5984 1 15 . 1 1 48 48 MET CB C 63 33.110 33.110 31.960 1.150 17645 5985 1 15 . 1 1 48 48 MET H H 63 8.261 8.261 7.850 0.411 17645 5986 1 15 . 1 1 49 49 ALA N N 64 120.428 120.428 119.011 1.417 17645 5987 1 15 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.089 0.012 17645 5988 1 15 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.745 1.025 17645 5989 1 15 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.150 0.620 17645 5990 1 15 . 1 1 49 49 ALA H H 64 8.045 8.045 7.837 0.208 17645 5991 1 15 . 1 1 50 50 LYS N N 65 121.947 121.947 116.811 5.136 17645 5992 1 15 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.246 -0.207 17645 5993 1 15 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.423 2.097 17645 5994 1 15 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.914 0.766 17645 5995 1 15 . 1 1 50 50 LYS H H 65 8.063 8.063 7.638 0.425 17645 5996 1 15 . 1 1 51 51 ILE N N 66 121.189 121.189 118.119 3.070 17645 5997 1 15 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.903 -0.153 17645 5998 1 15 . 1 1 51 51 ILE CA C 66 65.740 65.740 63.041 2.699 17645 5999 1 15 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.419 1.701 17645 6000 1 15 . 1 1 51 51 ILE H H 66 8.437 8.437 8.251 0.186 17645 6001 1 15 . 1 1 52 52 LYS N N 67 117.119 117.119 116.983 0.136 17645 6002 1 15 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.393 -0.257 17645 6003 1 15 . 1 1 52 52 LYS CA C 67 59.210 59.210 56.450 2.760 17645 6004 1 15 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.099 0.581 17645 6005 1 15 . 1 1 52 52 LYS H H 67 7.622 7.622 7.769 -0.147 17645 6006 1 15 . 1 1 53 53 SER N N 68 111.824 111.824 113.052 -1.228 17645 6007 1 15 . 1 1 53 53 SER HA H 68 4.602 4.602 4.615 -0.013 17645 6008 1 15 . 1 1 53 53 SER CA C 68 59.960 59.960 58.250 1.710 17645 6009 1 15 . 1 1 53 53 SER CB C 68 65.750 65.750 63.485 2.265 17645 6010 1 15 . 1 1 53 53 SER H H 68 7.750 7.750 7.798 -0.048 17645 6011 1 15 . 1 1 54 54 THR N N 69 115.916 115.916 112.914 3.002 17645 6012 1 15 . 1 1 54 54 THR HA H 69 4.596 4.596 4.506 0.090 17645 6013 1 15 . 1 1 54 54 THR CA C 69 62.460 62.460 61.553 0.907 17645 6014 1 15 . 1 1 54 54 THR CB C 69 71.650 71.650 69.816 1.834 17645 6015 1 15 . 1 1 54 54 THR H H 69 7.972 7.972 7.424 0.548 17645 6016 1 15 . 1 1 55 55 MET N N 70 121.343 121.343 121.660 -0.317 17645 6017 1 15 . 1 1 55 55 MET HA H 70 4.551 4.551 4.778 -0.227 17645 6018 1 15 . 1 1 55 55 MET CA C 70 56.050 56.050 54.499 1.551 17645 6019 1 15 . 1 1 55 55 MET CB C 70 32.500 32.500 33.178 -0.678 17645 6020 1 15 . 1 1 55 55 MET H H 70 8.306 8.306 8.497 -0.191 17645 6021 1 15 . 1 1 56 56 MET N N 71 123.196 123.196 119.373 3.823 17645 6022 1 15 . 1 1 56 56 MET HA H 71 4.706 4.706 4.358 0.348 17645 6023 1 15 . 1 1 56 56 MET CA C 71 55.860 55.860 56.107 -0.247 17645 6024 1 15 . 1 1 56 56 MET CB C 71 37.620 37.620 32.862 4.758 17645 6025 1 15 . 1 1 56 56 MET H H 71 8.114 8.114 7.472 0.642 17645 6026 1 15 . 1 1 57 57 THR N N 72 113.158 113.158 117.065 -3.907 17645 6027 1 15 . 1 1 57 57 THR HA H 72 4.483 4.483 4.538 -0.055 17645 6028 1 15 . 1 1 57 57 THR CA C 72 61.080 61.080 61.257 -0.177 17645 6029 1 15 . 1 1 57 57 THR CB C 72 71.670 71.670 70.238 1.432 17645 6030 1 15 . 1 1 57 57 THR H H 72 8.486 8.486 8.443 0.043 17645 6031 1 15 . 1 1 58 58 ARG N N 73 121.911 121.911 124.017 -2.106 17645 6032 1 15 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.926 -0.017 17645 6033 1 15 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.054 0.466 17645 6034 1 15 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.935 0.395 17645 6035 1 15 . 1 1 58 58 ARG H H 73 8.961 8.961 8.861 0.100 17645 6036 1 15 . 1 1 59 59 GLU N N 74 118.955 118.955 118.579 0.376 17645 6037 1 15 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.043 -0.011 17645 6038 1 15 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.770 1.120 17645 6039 1 15 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.958 1.002 17645 6040 1 15 . 1 1 59 59 GLU H H 74 8.833 8.833 8.809 0.024 17645 6041 1 15 . 1 1 60 60 GLN N N 75 121.077 121.077 118.392 2.685 17645 6042 1 15 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.136 -0.146 17645 6043 1 15 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.666 0.734 17645 6044 1 15 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.738 0.652 17645 6045 1 15 . 1 1 60 60 GLN H H 75 7.801 7.801 7.753 0.048 17645 6046 1 15 . 1 1 61 61 ILE N N 76 120.016 120.016 119.754 0.262 17645 6047 1 15 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.889 -0.460 17645 6048 1 15 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.979 3.881 17645 6049 1 15 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.687 2.023 17645 6050 1 15 . 1 1 61 61 ILE H H 76 8.250 8.250 7.499 0.751 17645 6051 1 15 . 1 1 62 62 GLN N N 77 119.153 119.153 120.056 -0.903 17645 6052 1 15 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.094 -0.327 17645 6053 1 15 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.065 0.705 17645 6054 1 15 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.400 0.680 17645 6055 1 15 . 1 1 62 62 GLN H H 77 8.295 8.295 8.179 0.116 17645 6056 1 15 . 1 1 63 63 LYS N N 78 118.200 118.200 119.650 -1.450 17645 6057 1 15 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.051 0.103 17645 6058 1 15 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.651 0.499 17645 6059 1 15 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.284 1.026 17645 6060 1 15 . 1 1 63 63 LYS H H 78 7.839 7.839 7.870 -0.031 17645 6061 1 15 . 1 1 64 64 GLU N N 79 120.133 120.133 119.124 1.009 17645 6062 1 15 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.019 0.123 17645 6063 1 15 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.537 0.793 17645 6064 1 15 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.478 1.132 17645 6065 1 15 . 1 1 64 64 GLU H H 79 7.899 7.899 8.040 -0.141 17645 6066 1 15 . 1 1 65 65 TYR N N 80 122.505 122.505 120.019 2.486 17645 6067 1 15 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.208 -0.266 17645 6068 1 15 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.722 1.038 17645 6069 1 15 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.374 1.096 17645 6070 1 15 . 1 1 65 65 TYR H H 80 9.023 9.023 7.970 1.053 17645 6071 1 15 . 1 1 66 66 ASP N N 81 120.497 120.497 119.501 0.996 17645 6072 1 15 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.195 0.022 17645 6073 1 15 . 1 1 66 66 ASP CA C 81 58.100 58.100 58.162 -0.062 17645 6074 1 15 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.364 0.276 17645 6075 1 15 . 1 1 66 66 ASP H H 81 9.089 9.089 7.653 1.436 17645 6076 1 15 . 1 1 67 67 ALA N N 82 122.397 122.397 122.299 0.098 17645 6077 1 15 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.114 0.073 17645 6078 1 15 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.050 0.780 17645 6079 1 15 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.426 0.494 17645 6080 1 15 . 1 1 67 67 ALA H H 82 7.636 7.636 8.294 -0.658 17645 6081 1 15 . 1 1 68 68 LEU N N 83 121.806 121.806 118.262 3.544 17645 6082 1 15 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.311 -0.166 17645 6083 1 15 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.257 1.023 17645 6084 1 15 . 1 1 68 68 LEU CB C 83 42.860 42.860 42.059 0.801 17645 6085 1 15 . 1 1 68 68 LEU H H 83 7.727 7.727 7.659 0.068 17645 6086 1 15 . 1 1 69 69 VAL N N 84 123.560 123.560 121.037 2.523 17645 6087 1 15 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.630 -0.325 17645 6088 1 15 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.305 1.735 17645 6089 1 15 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.276 0.914 17645 6090 1 15 . 1 1 69 69 VAL H H 84 8.560 8.560 7.693 0.867 17645 6091 1 15 . 1 1 70 70 LYS N N 85 121.398 121.398 120.398 1.000 17645 6092 1 15 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.024 0.068 17645 6093 1 15 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.881 0.369 17645 6094 1 15 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.291 0.469 17645 6095 1 15 . 1 1 70 70 LYS H H 85 7.956 7.956 8.237 -0.281 17645 6096 1 15 . 1 1 71 71 SER N N 86 114.825 114.825 114.760 0.065 17645 6097 1 15 . 1 1 71 71 SER HA H 86 4.298 4.298 4.145 0.153 17645 6098 1 15 . 1 1 71 71 SER CA C 86 62.810 62.810 61.773 1.037 17645 6099 1 15 . 1 1 71 71 SER CB C 86 63.640 63.640 62.647 0.993 17645 6100 1 15 . 1 1 71 71 SER H H 86 8.284 8.284 7.950 0.334 17645 6101 1 15 . 1 1 72 72 SER N N 87 118.845 118.845 118.033 0.812 17645 6102 1 15 . 1 1 72 72 SER HA H 87 4.269 4.269 4.177 0.092 17645 6103 1 15 . 1 1 72 72 SER CA C 87 62.940 62.940 61.790 1.150 17645 6104 1 15 . 1 1 72 72 SER CB C 87 63.870 63.870 62.826 1.044 17645 6105 1 15 . 1 1 72 72 SER H H 87 8.421 8.421 8.361 0.060 17645 6106 1 15 . 1 1 73 73 GLU N N 88 124.809 124.809 122.118 2.691 17645 6107 1 15 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.973 0.079 17645 6108 1 15 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.335 0.895 17645 6109 1 15 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.193 1.037 17645 6110 1 15 . 1 1 73 73 GLU H H 88 8.376 8.376 7.791 0.585 17645 6111 1 15 . 1 1 74 74 ASP N N 89 122.193 122.193 119.317 2.876 17645 6112 1 15 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.408 0.003 17645 6113 1 15 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.936 0.974 17645 6114 1 15 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.951 -0.371 17645 6115 1 15 . 1 1 74 74 ASP H H 89 8.734 8.734 7.758 0.976 17645 6116 1 15 . 1 1 75 75 LEU N N 90 123.280 123.280 120.954 2.326 17645 6117 1 15 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.010 0.280 17645 6118 1 15 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.754 0.806 17645 6119 1 15 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.886 0.144 17645 6120 1 15 . 1 1 75 75 LEU H H 90 7.986 7.986 7.187 0.799 17645 6121 1 15 . 1 1 76 76 LEU N N 91 120.488 120.488 118.535 1.953 17645 6122 1 15 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.661 0.177 17645 6123 1 15 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.262 0.938 17645 6124 1 15 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.010 0.500 17645 6125 1 15 . 1 1 76 76 LEU H H 91 8.280 8.280 7.798 0.482 17645 6126 1 15 . 1 1 77 77 SER N N 92 113.817 113.817 114.696 -0.879 17645 6127 1 15 . 1 1 77 77 SER HA H 92 4.235 4.235 4.060 0.175 17645 6128 1 15 . 1 1 77 77 SER CA C 92 62.200 62.200 62.056 0.144 17645 6129 1 15 . 1 1 77 77 SER CB C 92 63.440 63.440 62.900 0.540 17645 6130 1 15 . 1 1 77 77 SER H H 92 8.219 8.219 8.080 0.139 17645 6131 1 15 . 1 1 78 78 ALA N N 93 124.902 124.902 124.672 0.230 17645 6132 1 15 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.104 0.062 17645 6133 1 15 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.887 0.973 17645 6134 1 15 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.228 0.532 17645 6135 1 15 . 1 1 78 78 ALA H H 93 7.949 7.949 7.606 0.343 17645 6136 1 15 . 1 1 79 79 LEU N N 94 120.602 120.602 119.061 1.541 17645 6137 1 15 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.769 0.298 17645 6138 1 15 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.033 0.437 17645 6139 1 15 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.457 1.153 17645 6140 1 15 . 1 1 79 79 LEU H H 94 8.587 8.587 7.997 0.590 17645 6141 1 15 . 1 1 80 80 GLN N N 95 119.525 119.525 118.690 0.835 17645 6142 1 15 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.911 0.137 17645 6143 1 15 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.977 -0.387 17645 6144 1 15 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.444 0.396 17645 6145 1 15 . 1 1 80 80 GLN H H 95 8.561 8.561 8.588 -0.027 17645 6146 1 15 . 1 1 81 81 LYS N N 96 121.075 121.075 118.981 2.094 17645 6147 1 15 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.163 -0.026 17645 6148 1 15 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.281 0.769 17645 6149 1 15 . 1 1 81 81 LYS CB C 96 32.940 32.940 31.931 1.009 17645 6150 1 15 . 1 1 81 81 LYS H H 96 8.003 8.003 7.819 0.184 17645 6151 1 15 . 1 1 82 82 LYS N N 97 121.415 121.415 119.994 1.421 17645 6152 1 15 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.063 0.062 17645 6153 1 15 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.601 0.369 17645 6154 1 15 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.529 0.591 17645 6155 1 15 . 1 1 82 82 LYS H H 97 7.903 7.903 7.747 0.156 17645 6156 1 15 . 1 1 83 83 LYS N N 98 121.081 121.081 118.862 2.219 17645 6157 1 15 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.000 -0.018 17645 6158 1 15 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.419 0.591 17645 6159 1 15 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.983 1.137 17645 6160 1 15 . 1 1 83 83 LYS H H 98 8.202 8.202 8.162 0.040 17645 6161 1 15 . 1 1 84 84 GLN N N 99 119.576 119.576 119.176 0.400 17645 6162 1 15 . 1 1 84 84 GLN HA H 99 4.124 4.124 3.928 0.196 17645 6163 1 15 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.695 1.115 17645 6164 1 15 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.197 0.763 17645 6165 1 15 . 1 1 84 84 GLN H H 99 8.125 8.125 8.498 -0.373 17645 6166 1 15 . 1 1 85 85 GLN N N 100 120.009 120.009 118.008 2.001 17645 6167 1 15 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.064 0.057 17645 6168 1 15 . 1 1 85 85 GLN CA C 100 59.590 59.590 58.092 1.498 17645 6169 1 15 . 1 1 85 85 GLN CB C 100 29.020 29.020 28.235 0.785 17645 6170 1 15 . 1 1 85 85 GLN H H 100 8.341 8.341 7.719 0.622 17645 6171 1 15 . 1 1 86 86 GLU N N 101 121.718 121.718 118.613 3.105 17645 6172 1 15 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.139 -0.004 17645 6173 1 15 . 1 1 86 86 GLU CA C 101 60.430 60.430 58.462 1.968 17645 6174 1 15 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.857 0.283 17645 6175 1 15 . 1 1 86 86 GLU H H 101 8.275 8.275 7.779 0.496 17645 6176 1 15 . 1 1 87 87 GLU N N 102 121.412 121.412 118.001 3.411 17645 6177 1 15 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.318 -0.202 17645 6178 1 15 . 1 1 87 87 GLU CA C 102 59.960 59.960 57.901 2.059 17645 6179 1 15 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.993 -0.703 17645 6180 1 15 . 1 1 87 87 GLU H H 102 8.330 8.330 7.845 0.485 17645 6181 1 16 . 1 1 2 2 GLY N N 17 110.356 110.356 110.747 -0.391 17645 6182 1 16 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.121 1.489 17645 6183 1 16 . 1 1 2 2 GLY H H 17 8.065 8.065 8.292 -0.227 17645 6184 1 16 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.376 0.017 17645 6185 1 16 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.136 1.534 17645 6186 1 16 . 1 1 3 3 PRO CB C 18 32.700 32.700 31.475 1.225 17645 6187 1 16 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.338 1.392 17645 6188 1 16 . 1 1 5 5 SER HA H 20 4.192 4.192 4.572 -0.380 17645 6189 1 16 . 1 1 5 5 SER CA C 20 60.960 60.960 59.054 1.906 17645 6190 1 16 . 1 1 5 5 SER CB C 20 64.250 64.250 64.009 0.241 17645 6191 1 16 . 1 1 6 6 LEU N N 21 122.731 122.731 123.209 -0.478 17645 6192 1 16 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.061 0.059 17645 6193 1 16 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.617 -0.897 17645 6194 1 16 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.492 1.478 17645 6195 1 16 . 1 1 6 6 LEU H H 21 8.052 8.052 8.208 -0.156 17645 6196 1 16 . 1 1 7 7 VAL N N 22 119.948 119.948 119.253 0.695 17645 6197 1 16 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.800 -0.047 17645 6198 1 16 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.129 -0.779 17645 6199 1 16 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.400 1.200 17645 6200 1 16 . 1 1 7 7 VAL H H 22 7.676 7.676 7.978 -0.302 17645 6201 1 16 . 1 1 8 8 LYS N N 23 122.400 122.400 119.856 2.544 17645 6202 1 16 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.163 0.024 17645 6203 1 16 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.678 -0.848 17645 6204 1 16 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.518 0.042 17645 6205 1 16 . 1 1 8 8 LYS H H 23 7.830 7.830 8.198 -0.368 17645 6206 1 16 . 1 1 9 9 VAL N N 24 121.205 121.205 118.464 2.741 17645 6207 1 16 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.682 0.144 17645 6208 1 16 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.766 0.094 17645 6209 1 16 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.945 1.505 17645 6210 1 16 . 1 1 9 9 VAL H H 24 8.194 8.194 8.426 -0.232 17645 6211 1 16 . 1 1 10 10 GLY N N 25 107.900 107.900 106.772 1.128 17645 6212 1 16 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.519 0.141 17645 6213 1 16 . 1 1 10 10 GLY H H 25 8.446 8.446 8.153 0.293 17645 6214 1 16 . 1 1 11 11 THR N N 26 116.800 116.800 119.326 -2.526 17645 6215 1 16 . 1 1 11 11 THR HA H 26 4.109 4.109 3.929 0.180 17645 6216 1 16 . 1 1 11 11 THR CA C 26 66.300 66.300 66.622 -0.322 17645 6217 1 16 . 1 1 11 11 THR CB C 26 69.690 69.690 68.332 1.358 17645 6218 1 16 . 1 1 11 11 THR H H 26 7.992 7.992 7.829 0.163 17645 6219 1 16 . 1 1 12 12 LEU N N 27 123.983 123.983 122.609 1.374 17645 6220 1 16 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.910 0.217 17645 6221 1 16 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.943 0.527 17645 6222 1 16 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.474 1.337 17645 6223 1 16 . 1 1 12 12 LEU H H 27 7.934 7.934 7.912 0.022 17645 6224 1 16 . 1 1 13 13 LYS N N 28 117.513 117.513 118.935 -1.422 17645 6225 1 16 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.837 0.066 17645 6226 1 16 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.651 0.499 17645 6227 1 16 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.017 0.713 17645 6228 1 16 . 1 1 13 13 LYS H H 28 7.824 7.824 7.760 0.064 17645 6229 1 16 . 1 1 14 14 LYS N N 29 119.275 119.275 119.010 0.265 17645 6230 1 16 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.002 0.149 17645 6231 1 16 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.233 0.227 17645 6232 1 16 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.163 0.587 17645 6233 1 16 . 1 1 14 14 LYS H H 29 7.685 7.685 7.677 0.008 17645 6234 1 16 . 1 1 15 15 ARG N N 30 119.090 119.090 120.411 -1.321 17645 6235 1 16 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.833 0.227 17645 6236 1 16 . 1 1 15 15 ARG CA C 30 59.030 59.030 59.110 -0.080 17645 6237 1 16 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.801 0.709 17645 6238 1 16 . 1 1 15 15 ARG H H 30 7.709 7.709 7.534 0.175 17645 6239 1 16 . 1 1 16 16 LEU N N 31 118.473 118.473 120.290 -1.817 17645 6240 1 16 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.271 -0.294 17645 6241 1 16 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.908 -0.828 17645 6242 1 16 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.795 -0.475 17645 6243 1 16 . 1 1 16 16 LEU H H 31 7.595 7.595 8.320 -0.725 17645 6244 1 16 . 1 1 17 17 ASP N N 32 120.020 120.020 119.268 0.752 17645 6245 1 16 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.321 0.118 17645 6246 1 16 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.996 -0.016 17645 6247 1 16 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.445 0.435 17645 6248 1 16 . 1 1 17 17 ASP H H 32 7.858 7.858 7.826 0.032 17645 6249 1 16 . 1 1 18 18 LYS N N 33 119.708 119.708 120.519 -0.811 17645 6250 1 16 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.987 0.211 17645 6251 1 16 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.893 -0.423 17645 6252 1 16 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.589 0.601 17645 6253 1 16 . 1 1 18 18 LYS H H 33 7.564 7.564 7.652 -0.088 17645 6254 1 16 . 1 1 19 19 PHE N N 34 118.256 118.256 119.362 -1.106 17645 6255 1 16 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.207 0.044 17645 6256 1 16 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.466 0.244 17645 6257 1 16 . 1 1 19 19 PHE CB C 34 38.750 38.750 38.113 0.637 17645 6258 1 16 . 1 1 19 19 PHE H H 34 7.884 7.884 7.635 0.249 17645 6259 1 16 . 1 1 20 20 ASN N N 35 117.779 117.779 117.875 -0.096 17645 6260 1 16 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.416 0.044 17645 6261 1 16 . 1 1 20 20 ASN CA C 35 57.350 57.350 57.110 0.240 17645 6262 1 16 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.212 0.788 17645 6263 1 16 . 1 1 20 20 ASN H H 35 8.054 8.054 8.186 -0.132 17645 6264 1 16 . 1 1 21 21 GLU N N 36 120.312 120.312 120.555 -0.243 17645 6265 1 16 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.085 0.021 17645 6266 1 16 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.414 0.356 17645 6267 1 16 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.417 1.093 17645 6268 1 16 . 1 1 21 21 GLU H H 36 7.983 7.983 7.802 0.181 17645 6269 1 16 . 1 1 22 22 VAL N N 37 119.756 119.756 119.061 0.695 17645 6270 1 16 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.790 0.052 17645 6271 1 16 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.103 0.007 17645 6272 1 16 . 1 1 22 22 VAL CB C 37 32.680 32.680 30.951 1.729 17645 6273 1 16 . 1 1 22 22 VAL H H 37 7.670 7.670 7.842 -0.172 17645 6274 1 16 . 1 1 23 23 VAL N N 38 118.300 118.300 119.277 -0.977 17645 6275 1 16 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.724 -0.047 17645 6276 1 16 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.497 1.053 17645 6277 1 16 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.302 2.178 17645 6278 1 16 . 1 1 23 23 VAL H H 38 8.159 8.159 8.218 -0.059 17645 6279 1 16 . 1 1 24 24 SER N N 39 113.952 113.952 116.046 -2.094 17645 6280 1 16 . 1 1 24 24 SER HA H 39 4.170 4.170 4.306 -0.136 17645 6281 1 16 . 1 1 24 24 SER CA C 39 61.880 61.880 61.675 0.205 17645 6282 1 16 . 1 1 24 24 SER CB C 39 63.740 63.740 63.030 0.710 17645 6283 1 16 . 1 1 24 24 SER H H 39 7.773 7.773 8.352 -0.579 17645 6284 1 16 . 1 1 25 25 ALA N N 40 122.572 122.572 123.915 -1.343 17645 6285 1 16 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.122 0.303 17645 6286 1 16 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.792 -1.912 17645 6287 1 16 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.775 1.675 17645 6288 1 16 . 1 1 25 25 ALA H H 40 7.436 7.436 7.703 -0.267 17645 6289 1 16 . 1 1 26 26 LEU N N 41 120.677 120.677 113.753 6.924 17645 6290 1 16 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.364 0.017 17645 6291 1 16 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.127 0.733 17645 6292 1 16 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.127 1.062 17645 6293 1 16 . 1 1 26 26 LEU H H 41 7.499 7.499 7.375 0.124 17645 6294 1 16 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.960 0.325 17645 6295 1 16 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.679 0.571 17645 6296 1 16 . 1 1 27 27 LYS CB C 42 33.870 33.870 32.090 1.780 17645 6297 1 16 . 1 1 28 28 ASP N N 43 120.989 120.989 116.732 4.257 17645 6298 1 16 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.407 0.394 17645 6299 1 16 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.105 -0.545 17645 6300 1 16 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.152 2.288 17645 6301 1 16 . 1 1 28 28 ASP H H 43 8.513 8.513 8.401 0.112 17645 6302 1 16 . 1 1 29 29 GLY N N 44 108.379 108.379 108.913 -0.534 17645 6303 1 16 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.809 0.731 17645 6304 1 16 . 1 1 29 29 GLY H H 44 8.425 8.425 8.493 -0.068 17645 6305 1 16 . 1 1 30 30 LYS N N 45 119.932 119.932 119.977 -0.045 17645 6306 1 16 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.112 -0.033 17645 6307 1 16 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.994 0.526 17645 6308 1 16 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.506 0.564 17645 6309 1 16 . 1 1 30 30 LYS H H 45 8.269 8.269 8.536 -0.267 17645 6310 1 16 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.271 0.037 17645 6311 1 16 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.216 0.824 17645 6312 1 16 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.303 0.517 17645 6313 1 16 . 1 1 32 32 GLU N N 47 118.526 118.526 117.836 0.690 17645 6314 1 16 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.083 0.050 17645 6315 1 16 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.872 0.298 17645 6316 1 16 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.149 0.761 17645 6317 1 16 . 1 1 32 32 GLU H H 47 8.189 8.189 8.415 -0.226 17645 6318 1 16 . 1 1 33 33 VAL N N 48 120.183 120.183 119.957 0.226 17645 6319 1 16 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.587 0.325 17645 6320 1 16 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.340 -0.040 17645 6321 1 16 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.085 1.275 17645 6322 1 16 . 1 1 33 33 VAL H H 48 7.744 7.744 8.145 -0.401 17645 6323 1 16 . 1 1 34 34 ASN N N 49 119.700 119.700 117.983 1.717 17645 6324 1 16 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.384 0.066 17645 6325 1 16 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.095 0.955 17645 6326 1 16 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.858 0.792 17645 6327 1 16 . 1 1 34 34 ASN H H 49 8.582 8.582 8.700 -0.118 17645 6328 1 16 . 1 1 35 35 ARG N N 50 121.009 121.009 121.144 -0.135 17645 6329 1 16 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.034 0.103 17645 6330 1 16 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.410 0.360 17645 6331 1 16 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.199 0.571 17645 6332 1 16 . 1 1 35 35 ARG H H 50 7.848 7.848 7.803 0.045 17645 6333 1 16 . 1 1 36 36 GLN N N 51 119.394 119.394 119.339 0.055 17645 6334 1 16 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.077 -0.014 17645 6335 1 16 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.925 1.085 17645 6336 1 16 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.952 0.818 17645 6337 1 16 . 1 1 36 36 GLN H H 51 7.685 7.685 7.737 -0.052 17645 6338 1 16 . 1 1 37 37 ILE N N 52 122.006 122.006 119.709 2.297 17645 6339 1 16 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.637 -0.183 17645 6340 1 16 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.748 0.553 17645 6341 1 16 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.524 1.376 17645 6342 1 16 . 1 1 37 37 ILE H H 52 8.293 8.293 8.855 -0.562 17645 6343 1 16 . 1 1 38 38 LYS N N 53 121.163 121.163 120.293 0.870 17645 6344 1 16 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.015 0.156 17645 6345 1 16 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.237 -0.187 17645 6346 1 16 . 1 1 38 38 LYS CB C 53 31.930 31.930 31.941 -0.011 17645 6347 1 16 . 1 1 38 38 LYS H H 53 8.169 8.169 7.677 0.492 17645 6348 1 16 . 1 1 39 39 ASN N N 54 117.219 117.219 118.694 -1.475 17645 6349 1 16 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.410 0.073 17645 6350 1 16 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.063 0.547 17645 6351 1 16 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.883 0.557 17645 6352 1 16 . 1 1 39 39 ASN H H 54 8.171 8.171 7.743 0.428 17645 6353 1 16 . 1 1 40 40 LEU N N 55 123.907 123.907 120.378 3.529 17645 6354 1 16 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.028 0.177 17645 6355 1 16 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.191 0.649 17645 6356 1 16 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.139 0.931 17645 6357 1 16 . 1 1 40 40 LEU H H 55 7.702 7.702 7.952 -0.250 17645 6358 1 16 . 1 1 41 41 GLU N N 56 121.779 121.779 119.324 2.455 17645 6359 1 16 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.962 -0.260 17645 6360 1 16 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.849 1.601 17645 6361 1 16 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.701 0.629 17645 6362 1 16 . 1 1 41 41 GLU H H 56 8.442 8.442 7.758 0.684 17645 6363 1 16 . 1 1 42 42 ILE N N 57 119.133 119.133 119.890 -0.757 17645 6364 1 16 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.722 0.161 17645 6365 1 16 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.333 0.217 17645 6366 1 16 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.870 1.080 17645 6367 1 16 . 1 1 42 42 ILE H H 57 8.531 8.531 8.459 0.072 17645 6368 1 16 . 1 1 43 43 SER N N 58 118.622 118.622 116.549 2.073 17645 6369 1 16 . 1 1 43 43 SER HA H 58 4.322 4.322 4.010 0.312 17645 6370 1 16 . 1 1 43 43 SER CA C 58 62.940 62.940 62.145 0.795 17645 6371 1 16 . 1 1 43 43 SER CB C 58 63.500 63.500 63.066 0.434 17645 6372 1 16 . 1 1 43 43 SER H H 58 8.027 8.027 7.941 0.086 17645 6373 1 16 . 1 1 44 44 ILE N N 59 126.416 126.416 122.585 3.831 17645 6374 1 16 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.575 0.053 17645 6375 1 16 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.642 1.268 17645 6376 1 16 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.772 1.388 17645 6377 1 16 . 1 1 44 44 ILE H H 59 8.543 8.543 8.503 0.040 17645 6378 1 16 . 1 1 45 45 ASP N N 60 121.563 121.563 119.706 1.857 17645 6379 1 16 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.307 0.100 17645 6380 1 16 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.417 0.863 17645 6381 1 16 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.135 0.625 17645 6382 1 16 . 1 1 45 45 ASP H H 60 8.406 8.406 8.114 0.292 17645 6383 1 16 . 1 1 46 46 ALA N N 61 123.500 123.500 122.443 1.057 17645 6384 1 16 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.064 0.138 17645 6385 1 16 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.013 0.697 17645 6386 1 16 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.499 0.161 17645 6387 1 16 . 1 1 46 46 ALA H H 61 8.538 8.538 8.065 0.473 17645 6388 1 16 . 1 1 47 47 LEU N N 62 121.942 121.942 119.605 2.337 17645 6389 1 16 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.839 0.455 17645 6390 1 16 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.841 -0.181 17645 6391 1 16 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.803 -0.663 17645 6392 1 16 . 1 1 47 47 LEU H H 62 7.801 7.801 7.680 0.121 17645 6393 1 16 . 1 1 48 48 MET N N 63 118.068 118.068 116.692 1.376 17645 6394 1 16 . 1 1 48 48 MET HA H 63 3.945 3.945 3.929 0.016 17645 6395 1 16 . 1 1 48 48 MET CA C 63 60.330 60.330 58.685 1.645 17645 6396 1 16 . 1 1 48 48 MET CB C 63 33.110 33.110 30.977 2.133 17645 6397 1 16 . 1 1 48 48 MET H H 63 8.261 8.261 7.760 0.501 17645 6398 1 16 . 1 1 49 49 ALA N N 64 120.428 120.428 120.743 -0.315 17645 6399 1 16 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.138 -0.037 17645 6400 1 16 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.650 1.120 17645 6401 1 16 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.198 0.572 17645 6402 1 16 . 1 1 49 49 ALA H H 64 8.045 8.045 7.931 0.114 17645 6403 1 16 . 1 1 50 50 LYS N N 65 121.947 121.947 117.729 4.218 17645 6404 1 16 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.236 -0.197 17645 6405 1 16 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.436 2.084 17645 6406 1 16 . 1 1 50 50 LYS CB C 65 33.680 33.680 33.138 0.542 17645 6407 1 16 . 1 1 50 50 LYS H H 65 8.063 8.063 7.774 0.289 17645 6408 1 16 . 1 1 51 51 ILE N N 66 121.189 121.189 118.546 2.643 17645 6409 1 16 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.912 -0.162 17645 6410 1 16 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.608 3.132 17645 6411 1 16 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.222 1.897 17645 6412 1 16 . 1 1 51 51 ILE H H 66 8.437 8.437 8.330 0.107 17645 6413 1 16 . 1 1 52 52 LYS N N 67 117.119 117.119 118.203 -1.084 17645 6414 1 16 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.312 -0.176 17645 6415 1 16 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.246 1.964 17645 6416 1 16 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.203 0.477 17645 6417 1 16 . 1 1 52 52 LYS H H 67 7.622 7.622 7.736 -0.114 17645 6418 1 16 . 1 1 53 53 SER N N 68 111.824 111.824 113.597 -1.773 17645 6419 1 16 . 1 1 53 53 SER HA H 68 4.602 4.602 4.583 0.019 17645 6420 1 16 . 1 1 53 53 SER CA C 68 59.960 59.960 58.372 1.588 17645 6421 1 16 . 1 1 53 53 SER CB C 68 65.750 65.750 63.720 2.030 17645 6422 1 16 . 1 1 53 53 SER H H 68 7.750 7.750 7.424 0.326 17645 6423 1 16 . 1 1 54 54 THR N N 69 115.916 115.916 112.514 3.402 17645 6424 1 16 . 1 1 54 54 THR HA H 69 4.596 4.596 4.476 0.120 17645 6425 1 16 . 1 1 54 54 THR CA C 69 62.460 62.460 61.384 1.076 17645 6426 1 16 . 1 1 54 54 THR CB C 69 71.650 71.650 70.288 1.362 17645 6427 1 16 . 1 1 54 54 THR H H 69 7.972 7.972 7.453 0.519 17645 6428 1 16 . 1 1 55 55 MET N N 70 121.343 121.343 122.084 -0.741 17645 6429 1 16 . 1 1 55 55 MET HA H 70 4.551 4.551 4.660 -0.109 17645 6430 1 16 . 1 1 55 55 MET CA C 70 56.050 56.050 54.356 1.694 17645 6431 1 16 . 1 1 55 55 MET CB C 70 32.500 32.500 32.396 0.104 17645 6432 1 16 . 1 1 55 55 MET H H 70 8.306 8.306 8.586 -0.280 17645 6433 1 16 . 1 1 56 56 MET N N 71 123.196 123.196 120.343 2.853 17645 6434 1 16 . 1 1 56 56 MET HA H 71 4.706 4.706 4.392 0.314 17645 6435 1 16 . 1 1 56 56 MET CA C 71 55.860 55.860 56.189 -0.329 17645 6436 1 16 . 1 1 56 56 MET CB C 71 37.620 37.620 32.886 4.734 17645 6437 1 16 . 1 1 56 56 MET H H 71 8.114 8.114 7.520 0.594 17645 6438 1 16 . 1 1 57 57 THR N N 72 113.158 113.158 116.939 -3.781 17645 6439 1 16 . 1 1 57 57 THR HA H 72 4.483 4.483 4.419 0.064 17645 6440 1 16 . 1 1 57 57 THR CA C 72 61.080 61.080 62.354 -1.274 17645 6441 1 16 . 1 1 57 57 THR CB C 72 71.670 71.670 69.599 2.071 17645 6442 1 16 . 1 1 57 57 THR H H 72 8.486 8.486 8.255 0.231 17645 6443 1 16 . 1 1 58 58 ARG N N 73 121.911 121.911 125.440 -3.529 17645 6444 1 16 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.981 -0.072 17645 6445 1 16 . 1 1 58 58 ARG CA C 73 60.520 60.520 58.870 1.650 17645 6446 1 16 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.658 0.672 17645 6447 1 16 . 1 1 58 58 ARG H H 73 8.961 8.961 8.806 0.155 17645 6448 1 16 . 1 1 59 59 GLU N N 74 118.955 118.955 119.073 -0.118 17645 6449 1 16 . 1 1 59 59 GLU HA H 74 4.032 4.032 3.996 0.036 17645 6450 1 16 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.891 0.999 17645 6451 1 16 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.977 0.983 17645 6452 1 16 . 1 1 59 59 GLU H H 74 8.833 8.833 8.739 0.094 17645 6453 1 16 . 1 1 60 60 GLN N N 75 121.077 121.077 118.349 2.728 17645 6454 1 16 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.112 -0.122 17645 6455 1 16 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.461 0.939 17645 6456 1 16 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.259 1.131 17645 6457 1 16 . 1 1 60 60 GLN H H 75 7.801 7.801 7.611 0.190 17645 6458 1 16 . 1 1 61 61 ILE N N 76 120.016 120.016 119.662 0.354 17645 6459 1 16 . 1 1 61 61 ILE HA H 76 3.429 3.429 4.301 -0.872 17645 6460 1 16 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.743 4.117 17645 6461 1 16 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.931 1.778 17645 6462 1 16 . 1 1 61 61 ILE H H 76 8.250 8.250 7.435 0.815 17645 6463 1 16 . 1 1 62 62 GLN N N 77 119.153 119.153 120.127 -0.974 17645 6464 1 16 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.057 -0.290 17645 6465 1 16 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.545 0.225 17645 6466 1 16 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.469 0.611 17645 6467 1 16 . 1 1 62 62 GLN H H 77 8.295 8.295 8.018 0.277 17645 6468 1 16 . 1 1 63 63 LYS N N 78 118.200 118.200 119.222 -1.022 17645 6469 1 16 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.008 0.146 17645 6470 1 16 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.413 0.737 17645 6471 1 16 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.137 1.173 17645 6472 1 16 . 1 1 63 63 LYS H H 78 7.839 7.839 7.851 -0.012 17645 6473 1 16 . 1 1 64 64 GLU N N 79 120.133 120.133 118.925 1.208 17645 6474 1 16 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.000 0.142 17645 6475 1 16 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.427 0.903 17645 6476 1 16 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.369 1.241 17645 6477 1 16 . 1 1 64 64 GLU H H 79 7.899 7.899 7.972 -0.073 17645 6478 1 16 . 1 1 65 65 TYR N N 80 122.505 122.505 119.695 2.810 17645 6479 1 16 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.213 -0.271 17645 6480 1 16 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.215 1.545 17645 6481 1 16 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.492 0.978 17645 6482 1 16 . 1 1 65 65 TYR H H 80 9.023 9.023 7.995 1.028 17645 6483 1 16 . 1 1 66 66 ASP N N 81 120.497 120.497 119.513 0.984 17645 6484 1 16 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.468 -0.251 17645 6485 1 16 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.260 0.840 17645 6486 1 16 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.800 -0.160 17645 6487 1 16 . 1 1 66 66 ASP H H 81 9.089 9.089 7.805 1.284 17645 6488 1 16 . 1 1 67 67 ALA N N 82 122.397 122.397 122.801 -0.404 17645 6489 1 16 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.102 0.085 17645 6490 1 16 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.188 0.642 17645 6491 1 16 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.407 0.513 17645 6492 1 16 . 1 1 67 67 ALA H H 82 7.636 7.636 8.336 -0.700 17645 6493 1 16 . 1 1 68 68 LEU N N 83 121.806 121.806 118.015 3.791 17645 6494 1 16 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.032 0.113 17645 6495 1 16 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.441 0.839 17645 6496 1 16 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.979 0.881 17645 6497 1 16 . 1 1 68 68 LEU H H 83 7.727 7.727 7.638 0.089 17645 6498 1 16 . 1 1 69 69 VAL N N 84 123.560 123.560 120.422 3.138 17645 6499 1 16 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.655 -0.350 17645 6500 1 16 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.822 1.218 17645 6501 1 16 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.383 0.807 17645 6502 1 16 . 1 1 69 69 VAL H H 84 8.560 8.560 7.812 0.748 17645 6503 1 16 . 1 1 70 70 LYS N N 85 121.398 121.398 120.709 0.689 17645 6504 1 16 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.098 -0.006 17645 6505 1 16 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.185 1.065 17645 6506 1 16 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.155 0.605 17645 6507 1 16 . 1 1 70 70 LYS H H 85 7.956 7.956 8.531 -0.575 17645 6508 1 16 . 1 1 71 71 SER N N 86 114.825 114.825 115.933 -1.108 17645 6509 1 16 . 1 1 71 71 SER HA H 86 4.298 4.298 4.153 0.145 17645 6510 1 16 . 1 1 71 71 SER CA C 86 62.810 62.810 61.462 1.348 17645 6511 1 16 . 1 1 71 71 SER CB C 86 63.640 63.640 62.951 0.689 17645 6512 1 16 . 1 1 71 71 SER H H 86 8.284 8.284 7.938 0.346 17645 6513 1 16 . 1 1 72 72 SER N N 87 118.845 118.845 117.919 0.926 17645 6514 1 16 . 1 1 72 72 SER HA H 87 4.269 4.269 3.913 0.356 17645 6515 1 16 . 1 1 72 72 SER CA C 87 62.940 62.940 62.284 0.656 17645 6516 1 16 . 1 1 72 72 SER CB C 87 63.870 63.870 63.011 0.859 17645 6517 1 16 . 1 1 72 72 SER H H 87 8.421 8.421 8.037 0.384 17645 6518 1 16 . 1 1 73 73 GLU N N 88 124.809 124.809 120.880 3.929 17645 6519 1 16 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.963 0.089 17645 6520 1 16 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.502 0.728 17645 6521 1 16 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.421 0.809 17645 6522 1 16 . 1 1 73 73 GLU H H 88 8.376 8.376 7.855 0.521 17645 6523 1 16 . 1 1 74 74 ASP N N 89 122.193 122.193 119.430 2.763 17645 6524 1 16 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.402 0.009 17645 6525 1 16 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.496 0.414 17645 6526 1 16 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.748 -0.168 17645 6527 1 16 . 1 1 74 74 ASP H H 89 8.734 8.734 7.860 0.874 17645 6528 1 16 . 1 1 75 75 LEU N N 90 123.280 123.280 121.466 1.814 17645 6529 1 16 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.023 0.267 17645 6530 1 16 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.669 0.891 17645 6531 1 16 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.889 0.141 17645 6532 1 16 . 1 1 75 75 LEU H H 90 7.986 7.986 7.132 0.854 17645 6533 1 16 . 1 1 76 76 LEU N N 91 120.488 120.488 118.843 1.645 17645 6534 1 16 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.749 0.089 17645 6535 1 16 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.270 0.930 17645 6536 1 16 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.998 0.512 17645 6537 1 16 . 1 1 76 76 LEU H H 91 8.280 8.280 7.990 0.290 17645 6538 1 16 . 1 1 77 77 SER N N 92 113.817 113.817 114.888 -1.071 17645 6539 1 16 . 1 1 77 77 SER HA H 92 4.235 4.235 4.269 -0.034 17645 6540 1 16 . 1 1 77 77 SER CA C 92 62.200 62.200 61.792 0.408 17645 6541 1 16 . 1 1 77 77 SER CB C 92 63.440 63.440 62.801 0.639 17645 6542 1 16 . 1 1 77 77 SER H H 92 8.219 8.219 7.960 0.259 17645 6543 1 16 . 1 1 78 78 ALA N N 93 124.902 124.902 123.815 1.087 17645 6544 1 16 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.119 0.047 17645 6545 1 16 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.857 1.003 17645 6546 1 16 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.258 0.502 17645 6547 1 16 . 1 1 78 78 ALA H H 93 7.949 7.949 7.748 0.201 17645 6548 1 16 . 1 1 79 79 LEU N N 94 120.602 120.602 119.497 1.105 17645 6549 1 16 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.833 0.234 17645 6550 1 16 . 1 1 79 79 LEU CA C 94 58.470 58.470 57.892 0.578 17645 6551 1 16 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.848 0.762 17645 6552 1 16 . 1 1 79 79 LEU H H 94 8.587 8.587 8.063 0.524 17645 6553 1 16 . 1 1 80 80 GLN N N 95 119.525 119.525 118.827 0.698 17645 6554 1 16 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.903 0.145 17645 6555 1 16 . 1 1 80 80 GLN CA C 95 59.590 59.590 60.029 -0.439 17645 6556 1 16 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.461 0.379 17645 6557 1 16 . 1 1 80 80 GLN H H 95 8.561 8.561 8.622 -0.061 17645 6558 1 16 . 1 1 81 81 LYS N N 96 121.075 121.075 118.163 2.912 17645 6559 1 16 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.168 -0.031 17645 6560 1 16 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.091 0.959 17645 6561 1 16 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.014 0.926 17645 6562 1 16 . 1 1 81 81 LYS H H 96 8.003 8.003 7.847 0.156 17645 6563 1 16 . 1 1 82 82 LYS N N 97 121.415 121.415 120.455 0.960 17645 6564 1 16 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.007 0.118 17645 6565 1 16 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.458 0.512 17645 6566 1 16 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.380 0.740 17645 6567 1 16 . 1 1 82 82 LYS H H 97 7.903 7.903 7.742 0.161 17645 6568 1 16 . 1 1 83 83 LYS N N 98 121.081 121.081 119.503 1.578 17645 6569 1 16 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.227 -0.245 17645 6570 1 16 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.078 0.931 17645 6571 1 16 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.432 0.688 17645 6572 1 16 . 1 1 83 83 LYS H H 98 8.202 8.202 8.081 0.121 17645 6573 1 16 . 1 1 84 84 GLN N N 99 119.576 119.576 117.227 2.349 17645 6574 1 16 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.054 0.070 17645 6575 1 16 . 1 1 84 84 GLN CA C 99 59.810 59.810 57.959 1.851 17645 6576 1 16 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.315 0.645 17645 6577 1 16 . 1 1 84 84 GLN H H 99 8.125 8.125 7.846 0.279 17645 6578 1 16 . 1 1 85 85 GLN N N 100 120.009 120.009 119.026 0.983 17645 6579 1 16 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.183 -0.062 17645 6580 1 16 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.690 1.900 17645 6581 1 16 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.766 -0.746 17645 6582 1 16 . 1 1 85 85 GLN H H 100 8.341 8.341 7.705 0.636 17645 6583 1 16 . 1 1 86 86 GLU N N 101 121.718 121.718 115.579 6.139 17645 6584 1 16 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.629 -0.494 17645 6585 1 16 . 1 1 86 86 GLU CA C 101 60.430 60.430 55.992 4.438 17645 6586 1 16 . 1 1 86 86 GLU CB C 101 30.140 30.140 32.901 -2.761 17645 6587 1 16 . 1 1 86 86 GLU H H 101 8.275 8.275 7.927 0.348 17645 6588 1 16 . 1 1 87 87 GLU N N 102 121.412 121.412 120.707 0.705 17645 6589 1 16 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.341 -0.225 17645 6590 1 16 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.743 3.217 17645 6591 1 16 . 1 1 87 87 GLU CB C 102 30.290 30.290 31.212 -0.922 17645 6592 1 16 . 1 1 87 87 GLU H H 102 8.330 8.330 8.683 -0.353 17645 6593 1 17 . 1 1 2 2 GLY N N 17 110.356 110.356 110.263 0.093 17645 6594 1 17 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.389 1.222 17645 6595 1 17 . 1 1 2 2 GLY H H 17 8.065 8.065 8.456 -0.391 17645 6596 1 17 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.342 0.051 17645 6597 1 17 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.919 1.751 17645 6598 1 17 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.004 0.696 17645 6599 1 17 . 1 1 4 4 GLY CA C 19 46.730 46.730 44.326 2.404 17645 6600 1 17 . 1 1 5 5 SER HA H 20 4.192 4.192 3.972 0.220 17645 6601 1 17 . 1 1 5 5 SER CA C 20 60.960 60.960 61.509 -0.549 17645 6602 1 17 . 1 1 5 5 SER CB C 20 64.250 64.250 61.921 2.329 17645 6603 1 17 . 1 1 6 6 LEU N N 21 122.731 122.731 121.863 0.868 17645 6604 1 17 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.114 0.006 17645 6605 1 17 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.122 -0.402 17645 6606 1 17 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.657 1.313 17645 6607 1 17 . 1 1 6 6 LEU H H 21 8.052 8.052 8.233 -0.181 17645 6608 1 17 . 1 1 7 7 VAL N N 22 119.948 119.948 118.531 1.417 17645 6609 1 17 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.665 0.088 17645 6610 1 17 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.212 -0.862 17645 6611 1 17 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.649 0.951 17645 6612 1 17 . 1 1 7 7 VAL H H 22 7.676 7.676 8.091 -0.415 17645 6613 1 17 . 1 1 8 8 LYS N N 23 122.400 122.400 118.963 3.437 17645 6614 1 17 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.106 0.081 17645 6615 1 17 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.407 -0.577 17645 6616 1 17 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.382 0.178 17645 6617 1 17 . 1 1 8 8 LYS H H 23 7.830 7.830 7.619 0.211 17645 6618 1 17 . 1 1 9 9 VAL N N 24 121.205 121.205 119.636 1.569 17645 6619 1 17 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.658 0.168 17645 6620 1 17 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.756 0.104 17645 6621 1 17 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.988 1.462 17645 6622 1 17 . 1 1 9 9 VAL H H 24 8.194 8.194 7.817 0.377 17645 6623 1 17 . 1 1 10 10 GLY N N 25 107.900 107.900 106.653 1.247 17645 6624 1 17 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.541 0.119 17645 6625 1 17 . 1 1 10 10 GLY H H 25 8.446 8.446 8.609 -0.163 17645 6626 1 17 . 1 1 11 11 THR N N 26 116.800 116.800 119.258 -2.458 17645 6627 1 17 . 1 1 11 11 THR HA H 26 4.109 4.109 3.844 0.265 17645 6628 1 17 . 1 1 11 11 THR CA C 26 66.300 66.300 66.074 0.226 17645 6629 1 17 . 1 1 11 11 THR CB C 26 69.690 69.690 68.635 1.055 17645 6630 1 17 . 1 1 11 11 THR H H 26 7.992 7.992 7.664 0.328 17645 6631 1 17 . 1 1 12 12 LEU N N 27 123.983 123.983 123.256 0.727 17645 6632 1 17 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.896 0.231 17645 6633 1 17 . 1 1 12 12 LEU CA C 27 58.470 58.470 58.167 0.303 17645 6634 1 17 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.642 1.167 17645 6635 1 17 . 1 1 12 12 LEU H H 27 7.934 7.934 7.876 0.058 17645 6636 1 17 . 1 1 13 13 LYS N N 28 117.513 117.513 118.808 -1.295 17645 6637 1 17 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.745 0.158 17645 6638 1 17 . 1 1 13 13 LYS CA C 28 60.150 60.150 60.096 0.054 17645 6639 1 17 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.114 0.616 17645 6640 1 17 . 1 1 13 13 LYS H H 28 7.824 7.824 7.746 0.078 17645 6641 1 17 . 1 1 14 14 LYS N N 29 119.275 119.275 118.048 1.227 17645 6642 1 17 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.021 0.130 17645 6643 1 17 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.012 0.448 17645 6644 1 17 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.264 0.486 17645 6645 1 17 . 1 1 14 14 LYS H H 29 7.685 7.685 7.665 0.020 17645 6646 1 17 . 1 1 15 15 ARG N N 30 119.090 119.090 119.606 -0.516 17645 6647 1 17 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.793 0.267 17645 6648 1 17 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.683 0.347 17645 6649 1 17 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.505 1.005 17645 6650 1 17 . 1 1 15 15 ARG H H 30 7.709 7.709 7.266 0.443 17645 6651 1 17 . 1 1 16 16 LEU N N 31 118.473 118.473 120.441 -1.968 17645 6652 1 17 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.071 -0.094 17645 6653 1 17 . 1 1 16 16 LEU CA C 31 58.080 58.080 59.127 -1.046 17645 6654 1 17 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.671 -0.351 17645 6655 1 17 . 1 1 16 16 LEU H H 31 7.595 7.595 8.192 -0.597 17645 6656 1 17 . 1 1 17 17 ASP N N 32 120.020 120.020 118.611 1.409 17645 6657 1 17 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.241 0.198 17645 6658 1 17 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.420 0.560 17645 6659 1 17 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.718 0.162 17645 6660 1 17 . 1 1 17 17 ASP H H 32 7.858 7.858 7.746 0.112 17645 6661 1 17 . 1 1 18 18 LYS N N 33 119.708 119.708 120.237 -0.529 17645 6662 1 17 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.968 0.230 17645 6663 1 17 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.502 -0.032 17645 6664 1 17 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.642 0.548 17645 6665 1 17 . 1 1 18 18 LYS H H 33 7.564 7.564 7.329 0.235 17645 6666 1 17 . 1 1 19 19 PHE N N 34 118.256 118.256 117.748 0.508 17645 6667 1 17 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.190 0.061 17645 6668 1 17 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.426 0.284 17645 6669 1 17 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.755 0.995 17645 6670 1 17 . 1 1 19 19 PHE H H 34 7.884 7.884 7.422 0.462 17645 6671 1 17 . 1 1 20 20 ASN N N 35 117.779 117.779 117.685 0.094 17645 6672 1 17 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.475 -0.015 17645 6673 1 17 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.615 0.735 17645 6674 1 17 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.049 0.951 17645 6675 1 17 . 1 1 20 20 ASN H H 35 8.054 8.054 7.964 0.090 17645 6676 1 17 . 1 1 21 21 GLU N N 36 120.312 120.312 120.236 0.076 17645 6677 1 17 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.060 0.046 17645 6678 1 17 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.520 0.249 17645 6679 1 17 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.503 1.006 17645 6680 1 17 . 1 1 21 21 GLU H H 36 7.983 7.983 7.818 0.165 17645 6681 1 17 . 1 1 22 22 VAL N N 37 119.756 119.756 119.771 -0.015 17645 6682 1 17 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.714 0.128 17645 6683 1 17 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.393 -0.283 17645 6684 1 17 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.771 0.909 17645 6685 1 17 . 1 1 22 22 VAL H H 37 7.670 7.670 7.760 -0.090 17645 6686 1 17 . 1 1 23 23 VAL N N 38 118.300 118.300 119.871 -1.571 17645 6687 1 17 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.583 0.094 17645 6688 1 17 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.545 0.005 17645 6689 1 17 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.293 1.187 17645 6690 1 17 . 1 1 23 23 VAL H H 38 8.159 8.159 8.329 -0.170 17645 6691 1 17 . 1 1 24 24 SER N N 39 113.952 113.952 116.170 -2.218 17645 6692 1 17 . 1 1 24 24 SER HA H 39 4.170 4.170 4.196 -0.026 17645 6693 1 17 . 1 1 24 24 SER CA C 39 61.880 61.880 61.246 0.634 17645 6694 1 17 . 1 1 24 24 SER CB C 39 63.740 63.740 63.078 0.662 17645 6695 1 17 . 1 1 24 24 SER H H 39 7.773 7.773 8.442 -0.669 17645 6696 1 17 . 1 1 25 25 ALA N N 40 122.572 122.572 122.419 0.153 17645 6697 1 17 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.204 0.221 17645 6698 1 17 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.642 -1.762 17645 6699 1 17 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.141 1.309 17645 6700 1 17 . 1 1 25 25 ALA H H 40 7.436 7.436 7.738 -0.302 17645 6701 1 17 . 1 1 26 26 LEU N N 41 120.677 120.677 112.792 7.885 17645 6702 1 17 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.421 -0.040 17645 6703 1 17 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.037 0.823 17645 6704 1 17 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.563 0.627 17645 6705 1 17 . 1 1 26 26 LEU H H 41 7.499 7.499 7.202 0.297 17645 6706 1 17 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.953 0.332 17645 6707 1 17 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.582 0.668 17645 6708 1 17 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.481 2.389 17645 6709 1 17 . 1 1 28 28 ASP N N 43 120.989 120.989 116.132 4.857 17645 6710 1 17 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.360 0.441 17645 6711 1 17 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.340 -0.780 17645 6712 1 17 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.132 2.308 17645 6713 1 17 . 1 1 28 28 ASP H H 43 8.513 8.513 8.436 0.077 17645 6714 1 17 . 1 1 29 29 GLY N N 44 108.379 108.379 107.600 0.779 17645 6715 1 17 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.643 0.897 17645 6716 1 17 . 1 1 29 29 GLY H H 44 8.425 8.425 8.474 -0.049 17645 6717 1 17 . 1 1 30 30 LYS N N 45 119.932 119.932 119.981 -0.049 17645 6718 1 17 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.139 -0.060 17645 6719 1 17 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.579 0.941 17645 6720 1 17 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.154 0.916 17645 6721 1 17 . 1 1 30 30 LYS H H 45 8.269 8.269 8.489 -0.220 17645 6722 1 17 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.460 -0.152 17645 6723 1 17 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.862 1.178 17645 6724 1 17 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.150 0.670 17645 6725 1 17 . 1 1 32 32 GLU N N 47 118.526 118.526 117.891 0.635 17645 6726 1 17 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.069 0.064 17645 6727 1 17 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.123 1.048 17645 6728 1 17 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.725 1.185 17645 6729 1 17 . 1 1 32 32 GLU H H 47 8.189 8.189 8.714 -0.525 17645 6730 1 17 . 1 1 33 33 VAL N N 48 120.183 120.183 121.205 -1.022 17645 6731 1 17 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.586 0.326 17645 6732 1 17 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.438 -0.138 17645 6733 1 17 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.752 0.608 17645 6734 1 17 . 1 1 33 33 VAL H H 48 7.744 7.744 7.957 -0.213 17645 6735 1 17 . 1 1 34 34 ASN N N 49 119.700 119.700 117.285 2.415 17645 6736 1 17 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.425 0.025 17645 6737 1 17 . 1 1 34 34 ASN CA C 49 57.050 57.050 55.923 1.127 17645 6738 1 17 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.626 1.024 17645 6739 1 17 . 1 1 34 34 ASN H H 49 8.582 8.582 8.829 -0.247 17645 6740 1 17 . 1 1 35 35 ARG N N 50 121.009 121.009 120.883 0.126 17645 6741 1 17 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.048 0.089 17645 6742 1 17 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.554 0.216 17645 6743 1 17 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.222 0.548 17645 6744 1 17 . 1 1 35 35 ARG H H 50 7.848 7.848 7.838 0.010 17645 6745 1 17 . 1 1 36 36 GLN N N 51 119.394 119.394 119.480 -0.086 17645 6746 1 17 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.120 -0.057 17645 6747 1 17 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.136 0.873 17645 6748 1 17 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.939 0.831 17645 6749 1 17 . 1 1 36 36 GLN H H 51 7.685 7.685 7.713 -0.028 17645 6750 1 17 . 1 1 37 37 ILE N N 52 122.006 122.006 119.263 2.743 17645 6751 1 17 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.705 -0.251 17645 6752 1 17 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.433 0.867 17645 6753 1 17 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.627 1.273 17645 6754 1 17 . 1 1 37 37 ILE H H 52 8.293 8.293 8.800 -0.507 17645 6755 1 17 . 1 1 38 38 LYS N N 53 121.163 121.163 120.947 0.216 17645 6756 1 17 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.047 0.124 17645 6757 1 17 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.172 -0.122 17645 6758 1 17 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.121 -0.191 17645 6759 1 17 . 1 1 38 38 LYS H H 53 8.169 8.169 7.894 0.275 17645 6760 1 17 . 1 1 39 39 ASN N N 54 117.219 117.219 118.288 -1.069 17645 6761 1 17 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.412 0.071 17645 6762 1 17 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.052 0.558 17645 6763 1 17 . 1 1 39 39 ASN CB C 54 38.440 38.440 38.083 0.357 17645 6764 1 17 . 1 1 39 39 ASN H H 54 8.171 8.171 7.864 0.307 17645 6765 1 17 . 1 1 40 40 LEU N N 55 123.907 123.907 120.775 3.132 17645 6766 1 17 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.092 0.113 17645 6767 1 17 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.319 0.521 17645 6768 1 17 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.584 0.486 17645 6769 1 17 . 1 1 40 40 LEU H H 55 7.702 7.702 7.992 -0.290 17645 6770 1 17 . 1 1 41 41 GLU N N 56 121.779 121.779 120.023 1.756 17645 6771 1 17 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.908 -0.206 17645 6772 1 17 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.919 1.531 17645 6773 1 17 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.796 0.534 17645 6774 1 17 . 1 1 41 41 GLU H H 56 8.442 8.442 8.000 0.442 17645 6775 1 17 . 1 1 42 42 ILE N N 57 119.133 119.133 119.496 -0.363 17645 6776 1 17 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.725 0.158 17645 6777 1 17 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.430 0.120 17645 6778 1 17 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.912 1.038 17645 6779 1 17 . 1 1 42 42 ILE H H 57 8.531 8.531 8.462 0.069 17645 6780 1 17 . 1 1 43 43 SER N N 58 118.622 118.622 116.071 2.551 17645 6781 1 17 . 1 1 43 43 SER HA H 58 4.322 4.322 4.030 0.292 17645 6782 1 17 . 1 1 43 43 SER CA C 58 62.940 62.940 61.794 1.146 17645 6783 1 17 . 1 1 43 43 SER CB C 58 63.500 63.500 63.019 0.481 17645 6784 1 17 . 1 1 43 43 SER H H 58 8.027 8.027 7.662 0.365 17645 6785 1 17 . 1 1 44 44 ILE N N 59 126.416 126.416 122.026 4.390 17645 6786 1 17 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.555 0.073 17645 6787 1 17 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.767 1.143 17645 6788 1 17 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.772 1.388 17645 6789 1 17 . 1 1 44 44 ILE H H 59 8.543 8.543 8.366 0.177 17645 6790 1 17 . 1 1 45 45 ASP N N 60 121.563 121.563 119.573 1.990 17645 6791 1 17 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.292 0.115 17645 6792 1 17 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.588 0.692 17645 6793 1 17 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.522 0.238 17645 6794 1 17 . 1 1 45 45 ASP H H 60 8.406 8.406 7.835 0.571 17645 6795 1 17 . 1 1 46 46 ALA N N 61 123.500 123.500 122.629 0.871 17645 6796 1 17 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.056 0.146 17645 6797 1 17 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.089 0.621 17645 6798 1 17 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.472 0.188 17645 6799 1 17 . 1 1 46 46 ALA H H 61 8.538 8.538 8.013 0.525 17645 6800 1 17 . 1 1 47 47 LEU N N 62 121.942 121.942 119.738 2.204 17645 6801 1 17 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.891 0.403 17645 6802 1 17 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.575 0.085 17645 6803 1 17 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.803 -0.663 17645 6804 1 17 . 1 1 47 47 LEU H H 62 7.801 7.801 7.765 0.036 17645 6805 1 17 . 1 1 48 48 MET N N 63 118.068 118.068 118.602 -0.534 17645 6806 1 17 . 1 1 48 48 MET HA H 63 3.945 3.945 3.921 0.024 17645 6807 1 17 . 1 1 48 48 MET CA C 63 60.330 60.330 58.229 2.101 17645 6808 1 17 . 1 1 48 48 MET CB C 63 33.110 33.110 31.968 1.142 17645 6809 1 17 . 1 1 48 48 MET H H 63 8.261 8.261 7.827 0.434 17645 6810 1 17 . 1 1 49 49 ALA N N 64 120.428 120.428 118.801 1.627 17645 6811 1 17 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.054 0.047 17645 6812 1 17 . 1 1 49 49 ALA CA C 64 55.770 55.770 55.097 0.673 17645 6813 1 17 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.094 0.676 17645 6814 1 17 . 1 1 49 49 ALA H H 64 8.045 8.045 7.967 0.078 17645 6815 1 17 . 1 1 50 50 LYS N N 65 121.947 121.947 118.161 3.786 17645 6816 1 17 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.313 -0.274 17645 6817 1 17 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.643 1.877 17645 6818 1 17 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.950 0.730 17645 6819 1 17 . 1 1 50 50 LYS H H 65 8.063 8.063 7.851 0.212 17645 6820 1 17 . 1 1 51 51 ILE N N 66 121.189 121.189 118.778 2.411 17645 6821 1 17 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.944 -0.194 17645 6822 1 17 . 1 1 51 51 ILE CA C 66 65.740 65.740 63.232 2.508 17645 6823 1 17 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.226 1.894 17645 6824 1 17 . 1 1 51 51 ILE H H 66 8.437 8.437 8.397 0.040 17645 6825 1 17 . 1 1 52 52 LYS N N 67 117.119 117.119 117.929 -0.810 17645 6826 1 17 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.376 -0.240 17645 6827 1 17 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.232 1.978 17645 6828 1 17 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.013 0.667 17645 6829 1 17 . 1 1 52 52 LYS H H 67 7.622 7.622 7.848 -0.226 17645 6830 1 17 . 1 1 53 53 SER N N 68 111.824 111.824 114.406 -2.582 17645 6831 1 17 . 1 1 53 53 SER HA H 68 4.602 4.602 4.529 0.073 17645 6832 1 17 . 1 1 53 53 SER CA C 68 59.960 59.960 58.467 1.493 17645 6833 1 17 . 1 1 53 53 SER CB C 68 65.750 65.750 62.874 2.876 17645 6834 1 17 . 1 1 53 53 SER H H 68 7.750 7.750 7.768 -0.018 17645 6835 1 17 . 1 1 54 54 THR N N 69 115.916 115.916 110.489 5.427 17645 6836 1 17 . 1 1 54 54 THR HA H 69 4.596 4.596 4.296 0.300 17645 6837 1 17 . 1 1 54 54 THR CA C 69 62.460 62.460 61.727 0.733 17645 6838 1 17 . 1 1 54 54 THR CB C 69 71.650 71.650 70.320 1.330 17645 6839 1 17 . 1 1 54 54 THR H H 69 7.972 7.972 7.165 0.807 17645 6840 1 17 . 1 1 55 55 MET N N 70 121.343 121.343 123.835 -2.492 17645 6841 1 17 . 1 1 55 55 MET HA H 70 4.551 4.551 4.337 0.214 17645 6842 1 17 . 1 1 55 55 MET CA C 70 56.050 56.050 55.230 0.820 17645 6843 1 17 . 1 1 55 55 MET CB C 70 32.500 32.500 31.766 0.734 17645 6844 1 17 . 1 1 55 55 MET H H 70 8.306 8.306 8.753 -0.447 17645 6845 1 17 . 1 1 56 56 MET N N 71 123.196 123.196 122.007 1.189 17645 6846 1 17 . 1 1 56 56 MET HA H 71 4.706 4.706 4.403 0.303 17645 6847 1 17 . 1 1 56 56 MET CA C 71 55.860 55.860 55.075 0.785 17645 6848 1 17 . 1 1 56 56 MET CB C 71 37.620 37.620 32.549 5.071 17645 6849 1 17 . 1 1 56 56 MET H H 71 8.114 8.114 8.096 0.018 17645 6850 1 17 . 1 1 57 57 THR N N 72 113.158 113.158 119.937 -6.779 17645 6851 1 17 . 1 1 57 57 THR HA H 72 4.483 4.483 4.427 0.056 17645 6852 1 17 . 1 1 57 57 THR CA C 72 61.080 61.080 61.609 -0.529 17645 6853 1 17 . 1 1 57 57 THR CB C 72 71.670 71.670 69.904 1.766 17645 6854 1 17 . 1 1 57 57 THR H H 72 8.486 8.486 8.199 0.287 17645 6855 1 17 . 1 1 58 58 ARG N N 73 121.911 121.911 125.406 -3.495 17645 6856 1 17 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.898 0.011 17645 6857 1 17 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.537 -0.017 17645 6858 1 17 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.877 0.453 17645 6859 1 17 . 1 1 58 58 ARG H H 73 8.961 8.961 8.935 0.026 17645 6860 1 17 . 1 1 59 59 GLU N N 74 118.955 118.955 118.681 0.274 17645 6861 1 17 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.083 -0.051 17645 6862 1 17 . 1 1 59 59 GLU CA C 74 60.890 60.890 59.722 1.168 17645 6863 1 17 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.732 1.228 17645 6864 1 17 . 1 1 59 59 GLU H H 74 8.833 8.833 8.787 0.046 17645 6865 1 17 . 1 1 60 60 GLN N N 75 121.077 121.077 118.282 2.795 17645 6866 1 17 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.134 -0.144 17645 6867 1 17 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.414 0.986 17645 6868 1 17 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.442 0.949 17645 6869 1 17 . 1 1 60 60 GLN H H 75 7.801 7.801 7.703 0.098 17645 6870 1 17 . 1 1 61 61 ILE N N 76 120.016 120.016 120.682 -0.666 17645 6871 1 17 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.862 -0.433 17645 6872 1 17 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.679 3.181 17645 6873 1 17 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.712 1.998 17645 6874 1 17 . 1 1 61 61 ILE H H 76 8.250 8.250 7.809 0.441 17645 6875 1 17 . 1 1 62 62 GLN N N 77 119.153 119.153 119.799 -0.646 17645 6876 1 17 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.035 -0.268 17645 6877 1 17 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.203 0.567 17645 6878 1 17 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.370 0.710 17645 6879 1 17 . 1 1 62 62 GLN H H 77 8.295 8.295 8.197 0.098 17645 6880 1 17 . 1 1 63 63 LYS N N 78 118.200 118.200 120.536 -2.336 17645 6881 1 17 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.047 0.107 17645 6882 1 17 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.148 1.002 17645 6883 1 17 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.307 1.003 17645 6884 1 17 . 1 1 63 63 LYS H H 78 7.839 7.839 7.861 -0.022 17645 6885 1 17 . 1 1 64 64 GLU N N 79 120.133 120.133 119.758 0.375 17645 6886 1 17 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.985 0.157 17645 6887 1 17 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.720 0.610 17645 6888 1 17 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.663 0.947 17645 6889 1 17 . 1 1 64 64 GLU H H 79 7.899 7.899 8.171 -0.272 17645 6890 1 17 . 1 1 65 65 TYR N N 80 122.505 122.505 119.423 3.082 17645 6891 1 17 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.218 -0.276 17645 6892 1 17 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.338 1.422 17645 6893 1 17 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.484 0.986 17645 6894 1 17 . 1 1 65 65 TYR H H 80 9.023 9.023 7.956 1.067 17645 6895 1 17 . 1 1 66 66 ASP N N 81 120.497 120.497 119.569 0.928 17645 6896 1 17 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.482 -0.265 17645 6897 1 17 . 1 1 66 66 ASP CA C 81 58.100 58.100 56.685 1.415 17645 6898 1 17 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.383 0.258 17645 6899 1 17 . 1 1 66 66 ASP H H 81 9.089 9.089 7.766 1.323 17645 6900 1 17 . 1 1 67 67 ALA N N 82 122.397 122.397 122.647 -0.250 17645 6901 1 17 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.011 0.176 17645 6902 1 17 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.337 0.492 17645 6903 1 17 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.614 0.306 17645 6904 1 17 . 1 1 67 67 ALA H H 82 7.636 7.636 8.220 -0.584 17645 6905 1 17 . 1 1 68 68 LEU N N 83 121.806 121.806 118.078 3.728 17645 6906 1 17 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.044 0.101 17645 6907 1 17 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.854 0.426 17645 6908 1 17 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.983 0.877 17645 6909 1 17 . 1 1 68 68 LEU H H 83 7.727 7.727 7.744 -0.017 17645 6910 1 17 . 1 1 69 69 VAL N N 84 123.560 123.560 120.656 2.904 17645 6911 1 17 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.659 -0.354 17645 6912 1 17 . 1 1 69 69 VAL CA C 84 68.040 68.040 67.053 0.987 17645 6913 1 17 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.365 0.825 17645 6914 1 17 . 1 1 69 69 VAL H H 84 8.560 8.560 7.770 0.790 17645 6915 1 17 . 1 1 70 70 LYS N N 85 121.398 121.398 121.104 0.294 17645 6916 1 17 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.107 -0.015 17645 6917 1 17 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.443 0.807 17645 6918 1 17 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.112 0.648 17645 6919 1 17 . 1 1 70 70 LYS H H 85 7.956 7.956 8.607 -0.651 17645 6920 1 17 . 1 1 71 71 SER N N 86 114.825 114.825 115.834 -1.009 17645 6921 1 17 . 1 1 71 71 SER HA H 86 4.298 4.298 4.177 0.121 17645 6922 1 17 . 1 1 71 71 SER CA C 86 62.810 62.810 62.045 0.765 17645 6923 1 17 . 1 1 71 71 SER CB C 86 63.640 63.640 62.945 0.695 17645 6924 1 17 . 1 1 71 71 SER H H 86 8.284 8.284 7.904 0.380 17645 6925 1 17 . 1 1 72 72 SER N N 87 118.845 118.845 117.984 0.861 17645 6926 1 17 . 1 1 72 72 SER HA H 87 4.269 4.269 3.959 0.310 17645 6927 1 17 . 1 1 72 72 SER CA C 87 62.940 62.940 61.758 1.182 17645 6928 1 17 . 1 1 72 72 SER CB C 87 63.870 63.870 62.788 1.082 17645 6929 1 17 . 1 1 72 72 SER H H 87 8.421 8.421 8.258 0.163 17645 6930 1 17 . 1 1 73 73 GLU N N 88 124.809 124.809 121.823 2.986 17645 6931 1 17 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.884 0.168 17645 6932 1 17 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.535 0.695 17645 6933 1 17 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.501 0.729 17645 6934 1 17 . 1 1 73 73 GLU H H 88 8.376 8.376 8.143 0.233 17645 6935 1 17 . 1 1 74 74 ASP N N 89 122.193 122.193 119.746 2.447 17645 6936 1 17 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.384 0.027 17645 6937 1 17 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.626 0.284 17645 6938 1 17 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.720 -0.140 17645 6939 1 17 . 1 1 74 74 ASP H H 89 8.734 8.734 7.805 0.929 17645 6940 1 17 . 1 1 75 75 LEU N N 90 123.280 123.280 121.188 2.092 17645 6941 1 17 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.893 0.397 17645 6942 1 17 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.975 0.585 17645 6943 1 17 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.711 0.319 17645 6944 1 17 . 1 1 75 75 LEU H H 90 7.986 7.986 7.199 0.787 17645 6945 1 17 . 1 1 76 76 LEU N N 91 120.488 120.488 118.897 1.591 17645 6946 1 17 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.746 0.092 17645 6947 1 17 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.398 0.802 17645 6948 1 17 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.969 0.541 17645 6949 1 17 . 1 1 76 76 LEU H H 91 8.280 8.280 7.998 0.282 17645 6950 1 17 . 1 1 77 77 SER N N 92 113.817 113.817 114.947 -1.130 17645 6951 1 17 . 1 1 77 77 SER HA H 92 4.235 4.235 4.201 0.034 17645 6952 1 17 . 1 1 77 77 SER CA C 92 62.200 62.200 61.867 0.333 17645 6953 1 17 . 1 1 77 77 SER CB C 92 63.440 63.440 63.051 0.389 17645 6954 1 17 . 1 1 77 77 SER H H 92 8.219 8.219 8.133 0.086 17645 6955 1 17 . 1 1 78 78 ALA N N 93 124.902 124.902 124.358 0.544 17645 6956 1 17 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.082 0.084 17645 6957 1 17 . 1 1 78 78 ALA CA C 93 55.860 55.860 55.007 0.853 17645 6958 1 17 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.198 0.562 17645 6959 1 17 . 1 1 78 78 ALA H H 93 7.949 7.949 8.064 -0.115 17645 6960 1 17 . 1 1 79 79 LEU N N 94 120.602 120.602 120.278 0.324 17645 6961 1 17 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.896 0.171 17645 6962 1 17 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.530 -0.060 17645 6963 1 17 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.936 0.674 17645 6964 1 17 . 1 1 79 79 LEU H H 94 8.587 8.587 8.314 0.273 17645 6965 1 17 . 1 1 80 80 GLN N N 95 119.525 119.525 118.247 1.278 17645 6966 1 17 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.868 0.180 17645 6967 1 17 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.728 -0.138 17645 6968 1 17 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.449 0.391 17645 6969 1 17 . 1 1 80 80 GLN H H 95 8.561 8.561 8.523 0.038 17645 6970 1 17 . 1 1 81 81 LYS N N 96 121.075 121.075 119.786 1.289 17645 6971 1 17 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.919 0.218 17645 6972 1 17 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.634 0.416 17645 6973 1 17 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.258 0.682 17645 6974 1 17 . 1 1 81 81 LYS H H 96 8.003 8.003 7.815 0.188 17645 6975 1 17 . 1 1 82 82 LYS N N 97 121.415 121.415 118.334 3.081 17645 6976 1 17 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.932 0.193 17645 6977 1 17 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.926 0.044 17645 6978 1 17 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.195 0.925 17645 6979 1 17 . 1 1 82 82 LYS H H 97 7.903 7.903 7.808 0.095 17645 6980 1 17 . 1 1 83 83 LYS N N 98 121.081 121.081 119.653 1.428 17645 6981 1 17 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.035 -0.053 17645 6982 1 17 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.088 0.922 17645 6983 1 17 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.325 0.795 17645 6984 1 17 . 1 1 83 83 LYS H H 98 8.202 8.202 7.739 0.463 17645 6985 1 17 . 1 1 84 84 GLN N N 99 119.576 119.576 117.581 1.995 17645 6986 1 17 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.070 0.054 17645 6987 1 17 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.001 1.809 17645 6988 1 17 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.366 0.594 17645 6989 1 17 . 1 1 84 84 GLN H H 99 8.125 8.125 8.112 0.013 17645 6990 1 17 . 1 1 85 85 GLN N N 100 120.009 120.009 119.174 0.835 17645 6991 1 17 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.206 -0.085 17645 6992 1 17 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.755 2.835 17645 6993 1 17 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.527 -0.507 17645 6994 1 17 . 1 1 85 85 GLN H H 100 8.341 8.341 7.885 0.456 17645 6995 1 17 . 1 1 86 86 GLU N N 101 121.718 121.718 116.146 5.572 17645 6996 1 17 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.994 0.141 17645 6997 1 17 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.641 2.789 17645 6998 1 17 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.722 0.418 17645 6999 1 17 . 1 1 86 86 GLU H H 101 8.275 8.275 7.970 0.305 17645 7000 1 17 . 1 1 87 87 GLU N N 102 121.412 121.412 119.164 2.248 17645 7001 1 17 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.465 -0.349 17645 7002 1 17 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.709 3.251 17645 7003 1 17 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.217 0.073 17645 7004 1 17 . 1 1 87 87 GLU H H 102 8.330 8.330 8.484 -0.154 17645 7005 1 18 . 1 1 2 2 GLY N N 17 110.356 110.356 110.409 -0.053 17645 7006 1 18 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.429 1.181 17645 7007 1 18 . 1 1 2 2 GLY H H 17 8.065 8.065 8.231 -0.166 17645 7008 1 18 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.283 0.110 17645 7009 1 18 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.141 1.529 17645 7010 1 18 . 1 1 3 3 PRO CB C 18 32.700 32.700 31.332 1.368 17645 7011 1 18 . 1 1 4 4 GLY CA C 19 46.730 46.730 44.880 1.850 17645 7012 1 18 . 1 1 5 5 SER HA H 20 4.192 4.192 4.391 -0.199 17645 7013 1 18 . 1 1 5 5 SER CA C 20 60.960 60.960 59.434 1.526 17645 7014 1 18 . 1 1 5 5 SER CB C 20 64.250 64.250 63.596 0.654 17645 7015 1 18 . 1 1 6 6 LEU N N 21 122.731 122.731 122.955 -0.224 17645 7016 1 18 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.043 0.077 17645 7017 1 18 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.358 -0.638 17645 7018 1 18 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.425 1.545 17645 7019 1 18 . 1 1 6 6 LEU H H 21 8.052 8.052 8.202 -0.150 17645 7020 1 18 . 1 1 7 7 VAL N N 22 119.948 119.948 118.688 1.260 17645 7021 1 18 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.634 0.119 17645 7022 1 18 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.050 -0.700 17645 7023 1 18 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.429 1.171 17645 7024 1 18 . 1 1 7 7 VAL H H 22 7.676 7.676 8.238 -0.562 17645 7025 1 18 . 1 1 8 8 LYS N N 23 122.400 122.400 119.346 3.054 17645 7026 1 18 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.036 0.151 17645 7027 1 18 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.463 -0.633 17645 7028 1 18 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.000 0.560 17645 7029 1 18 . 1 1 8 8 LYS H H 23 7.830 7.830 7.440 0.390 17645 7030 1 18 . 1 1 9 9 VAL N N 24 121.205 121.205 119.137 2.068 17645 7031 1 18 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.828 -0.002 17645 7032 1 18 . 1 1 9 9 VAL CA C 24 66.860 66.860 65.780 1.080 17645 7033 1 18 . 1 1 9 9 VAL CB C 24 32.450 32.450 30.806 1.644 17645 7034 1 18 . 1 1 9 9 VAL H H 24 8.194 8.194 8.180 0.014 17645 7035 1 18 . 1 1 10 10 GLY N N 25 107.900 107.900 106.693 1.207 17645 7036 1 18 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.674 -0.014 17645 7037 1 18 . 1 1 10 10 GLY H H 25 8.446 8.446 8.594 -0.148 17645 7038 1 18 . 1 1 11 11 THR N N 26 116.800 116.800 118.977 -2.177 17645 7039 1 18 . 1 1 11 11 THR HA H 26 4.109 4.109 3.973 0.136 17645 7040 1 18 . 1 1 11 11 THR CA C 26 66.300 66.300 66.677 -0.377 17645 7041 1 18 . 1 1 11 11 THR CB C 26 69.690 69.690 68.367 1.323 17645 7042 1 18 . 1 1 11 11 THR H H 26 7.992 7.992 7.624 0.368 17645 7043 1 18 . 1 1 12 12 LEU N N 27 123.983 123.983 122.652 1.331 17645 7044 1 18 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.007 0.120 17645 7045 1 18 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.559 0.912 17645 7046 1 18 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.182 1.627 17645 7047 1 18 . 1 1 12 12 LEU H H 27 7.934 7.934 7.958 -0.024 17645 7048 1 18 . 1 1 13 13 LYS N N 28 117.513 117.513 119.093 -1.580 17645 7049 1 18 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.839 0.064 17645 7050 1 18 . 1 1 13 13 LYS CA C 28 60.150 60.150 60.270 -0.120 17645 7051 1 18 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.197 0.533 17645 7052 1 18 . 1 1 13 13 LYS H H 28 7.824 7.824 7.794 0.030 17645 7053 1 18 . 1 1 14 14 LYS N N 29 119.275 119.275 118.580 0.695 17645 7054 1 18 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.988 0.163 17645 7055 1 18 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.704 -0.244 17645 7056 1 18 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.076 0.674 17645 7057 1 18 . 1 1 14 14 LYS H H 29 7.685 7.685 7.693 -0.008 17645 7058 1 18 . 1 1 15 15 ARG N N 30 119.090 119.090 119.232 -0.142 17645 7059 1 18 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.759 0.301 17645 7060 1 18 . 1 1 15 15 ARG CA C 30 59.030 59.030 57.851 1.179 17645 7061 1 18 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.090 1.419 17645 7062 1 18 . 1 1 15 15 ARG H H 30 7.709 7.709 7.241 0.468 17645 7063 1 18 . 1 1 16 16 LEU N N 31 118.473 118.473 121.513 -3.040 17645 7064 1 18 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.982 -0.005 17645 7065 1 18 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.753 -0.673 17645 7066 1 18 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.663 -0.343 17645 7067 1 18 . 1 1 16 16 LEU H H 31 7.595 7.595 8.119 -0.524 17645 7068 1 18 . 1 1 17 17 ASP N N 32 120.020 120.020 118.570 1.450 17645 7069 1 18 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.241 0.198 17645 7070 1 18 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.550 0.430 17645 7071 1 18 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.462 0.418 17645 7072 1 18 . 1 1 17 17 ASP H H 32 7.858 7.858 7.724 0.134 17645 7073 1 18 . 1 1 18 18 LYS N N 33 119.708 119.708 120.554 -0.846 17645 7074 1 18 . 1 1 18 18 LYS HA H 33 4.198 4.198 3.990 0.208 17645 7075 1 18 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.676 -0.206 17645 7076 1 18 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.628 0.562 17645 7077 1 18 . 1 1 18 18 LYS H H 33 7.564 7.564 7.397 0.167 17645 7078 1 18 . 1 1 19 19 PHE N N 34 118.256 118.256 117.610 0.646 17645 7079 1 18 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.191 0.060 17645 7080 1 18 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.014 0.696 17645 7081 1 18 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.602 1.148 17645 7082 1 18 . 1 1 19 19 PHE H H 34 7.884 7.884 7.336 0.548 17645 7083 1 18 . 1 1 20 20 ASN N N 35 117.779 117.779 118.178 -0.399 17645 7084 1 18 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.413 0.047 17645 7085 1 18 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.840 0.509 17645 7086 1 18 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.235 0.765 17645 7087 1 18 . 1 1 20 20 ASN H H 35 8.054 8.054 7.979 0.075 17645 7088 1 18 . 1 1 21 21 GLU N N 36 120.312 120.312 120.172 0.140 17645 7089 1 18 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.018 0.088 17645 7090 1 18 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.462 0.308 17645 7091 1 18 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.711 0.799 17645 7092 1 18 . 1 1 21 21 GLU H H 36 7.983 7.983 7.866 0.117 17645 7093 1 18 . 1 1 22 22 VAL N N 37 119.756 119.756 119.369 0.387 17645 7094 1 18 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.683 0.159 17645 7095 1 18 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.179 -0.069 17645 7096 1 18 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.671 1.009 17645 7097 1 18 . 1 1 22 22 VAL H H 37 7.670 7.670 7.772 -0.102 17645 7098 1 18 . 1 1 23 23 VAL N N 38 118.300 118.300 119.888 -1.588 17645 7099 1 18 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.642 0.035 17645 7100 1 18 . 1 1 23 23 VAL CA C 38 66.550 66.550 67.058 -0.508 17645 7101 1 18 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.626 0.854 17645 7102 1 18 . 1 1 23 23 VAL H H 38 8.159 8.159 8.532 -0.373 17645 7103 1 18 . 1 1 24 24 SER N N 39 113.952 113.952 115.380 -1.428 17645 7104 1 18 . 1 1 24 24 SER HA H 39 4.170 4.170 4.242 -0.072 17645 7105 1 18 . 1 1 24 24 SER CA C 39 61.880 61.880 61.233 0.647 17645 7106 1 18 . 1 1 24 24 SER CB C 39 63.740 63.740 63.066 0.674 17645 7107 1 18 . 1 1 24 24 SER H H 39 7.773 7.773 8.409 -0.636 17645 7108 1 18 . 1 1 25 25 ALA N N 40 122.572 122.572 123.244 -0.672 17645 7109 1 18 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.253 0.172 17645 7110 1 18 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.645 -1.765 17645 7111 1 18 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.941 1.509 17645 7112 1 18 . 1 1 25 25 ALA H H 40 7.436 7.436 7.698 -0.262 17645 7113 1 18 . 1 1 26 26 LEU N N 41 120.677 120.677 114.541 6.136 17645 7114 1 18 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.525 -0.144 17645 7115 1 18 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.111 0.749 17645 7116 1 18 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.752 0.438 17645 7117 1 18 . 1 1 26 26 LEU H H 41 7.499 7.499 7.353 0.146 17645 7118 1 18 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.008 0.277 17645 7119 1 18 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.778 0.472 17645 7120 1 18 . 1 1 27 27 LYS CB C 42 33.870 33.870 32.139 1.731 17645 7121 1 18 . 1 1 28 28 ASP N N 43 120.989 120.989 116.668 4.321 17645 7122 1 18 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.434 0.367 17645 7123 1 18 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.048 -0.488 17645 7124 1 18 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.162 2.278 17645 7125 1 18 . 1 1 28 28 ASP H H 43 8.513 8.513 8.315 0.198 17645 7126 1 18 . 1 1 29 29 GLY N N 44 108.379 108.379 109.497 -1.118 17645 7127 1 18 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.218 1.322 17645 7128 1 18 . 1 1 29 29 GLY H H 44 8.425 8.425 8.364 0.061 17645 7129 1 18 . 1 1 30 30 LYS N N 45 119.932 119.932 119.916 0.016 17645 7130 1 18 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.330 -0.251 17645 7131 1 18 . 1 1 30 30 LYS CA C 45 60.520 60.520 58.830 1.690 17645 7132 1 18 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.868 0.202 17645 7133 1 18 . 1 1 30 30 LYS H H 45 8.269 8.269 8.442 -0.173 17645 7134 1 18 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.476 -0.168 17645 7135 1 18 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.975 1.065 17645 7136 1 18 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.264 0.556 17645 7137 1 18 . 1 1 32 32 GLU N N 47 118.526 118.526 116.333 2.193 17645 7138 1 18 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.074 0.059 17645 7139 1 18 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.146 1.024 17645 7140 1 18 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.723 1.187 17645 7141 1 18 . 1 1 32 32 GLU H H 47 8.189 8.189 8.860 -0.671 17645 7142 1 18 . 1 1 33 33 VAL N N 48 120.183 120.183 121.021 -0.838 17645 7143 1 18 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.610 0.302 17645 7144 1 18 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.355 -0.055 17645 7145 1 18 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.780 0.580 17645 7146 1 18 . 1 1 33 33 VAL H H 48 7.744 7.744 7.264 0.480 17645 7147 1 18 . 1 1 34 34 ASN N N 49 119.700 119.700 117.688 2.012 17645 7148 1 18 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.405 0.045 17645 7149 1 18 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.065 0.985 17645 7150 1 18 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.539 1.111 17645 7151 1 18 . 1 1 34 34 ASN H H 49 8.582 8.582 8.859 -0.277 17645 7152 1 18 . 1 1 35 35 ARG N N 50 121.009 121.009 120.803 0.206 17645 7153 1 18 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.134 0.003 17645 7154 1 18 . 1 1 35 35 ARG CA C 50 59.770 59.770 58.962 0.809 17645 7155 1 18 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.153 0.617 17645 7156 1 18 . 1 1 35 35 ARG H H 50 7.848 7.848 7.880 -0.032 17645 7157 1 18 . 1 1 36 36 GLN N N 51 119.394 119.394 118.929 0.465 17645 7158 1 18 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.223 -0.160 17645 7159 1 18 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.446 0.564 17645 7160 1 18 . 1 1 36 36 GLN CB C 51 29.770 29.770 29.085 0.685 17645 7161 1 18 . 1 1 36 36 GLN H H 51 7.685 7.685 7.704 -0.019 17645 7162 1 18 . 1 1 37 37 ILE N N 52 122.006 122.006 119.465 2.541 17645 7163 1 18 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.729 -0.275 17645 7164 1 18 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.674 0.626 17645 7165 1 18 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.647 1.253 17645 7166 1 18 . 1 1 37 37 ILE H H 52 8.293 8.293 8.805 -0.512 17645 7167 1 18 . 1 1 38 38 LYS N N 53 121.163 121.163 120.067 1.096 17645 7168 1 18 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.032 0.139 17645 7169 1 18 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.359 -0.309 17645 7170 1 18 . 1 1 38 38 LYS CB C 53 31.930 31.930 31.696 0.234 17645 7171 1 18 . 1 1 38 38 LYS H H 53 8.169 8.169 8.034 0.135 17645 7172 1 18 . 1 1 39 39 ASN N N 54 117.219 117.219 118.740 -1.521 17645 7173 1 18 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.467 0.016 17645 7174 1 18 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.507 1.103 17645 7175 1 18 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.655 0.785 17645 7176 1 18 . 1 1 39 39 ASN H H 54 8.171 8.171 7.952 0.219 17645 7177 1 18 . 1 1 40 40 LEU N N 55 123.907 123.907 121.326 2.581 17645 7178 1 18 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.143 0.062 17645 7179 1 18 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.071 0.769 17645 7180 1 18 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.768 0.302 17645 7181 1 18 . 1 1 40 40 LEU H H 55 7.702 7.702 7.950 -0.248 17645 7182 1 18 . 1 1 41 41 GLU N N 56 121.779 121.779 120.160 1.619 17645 7183 1 18 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.043 -0.341 17645 7184 1 18 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.557 1.893 17645 7185 1 18 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.452 0.878 17645 7186 1 18 . 1 1 41 41 GLU H H 56 8.442 8.442 7.962 0.480 17645 7187 1 18 . 1 1 42 42 ILE N N 57 119.133 119.133 119.803 -0.670 17645 7188 1 18 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.750 0.133 17645 7189 1 18 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.231 0.319 17645 7190 1 18 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.841 1.109 17645 7191 1 18 . 1 1 42 42 ILE H H 57 8.531 8.531 8.212 0.319 17645 7192 1 18 . 1 1 43 43 SER N N 58 118.622 118.622 116.785 1.837 17645 7193 1 18 . 1 1 43 43 SER HA H 58 4.322 4.322 4.132 0.190 17645 7194 1 18 . 1 1 43 43 SER CA C 58 62.940 62.940 62.591 0.349 17645 7195 1 18 . 1 1 43 43 SER CB C 58 63.500 63.500 63.035 0.465 17645 7196 1 18 . 1 1 43 43 SER H H 58 8.027 8.027 7.577 0.450 17645 7197 1 18 . 1 1 44 44 ILE N N 59 126.416 126.416 122.188 4.228 17645 7198 1 18 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.640 -0.012 17645 7199 1 18 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.782 1.128 17645 7200 1 18 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.874 1.286 17645 7201 1 18 . 1 1 44 44 ILE H H 59 8.543 8.543 8.545 -0.002 17645 7202 1 18 . 1 1 45 45 ASP N N 60 121.563 121.563 119.729 1.834 17645 7203 1 18 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.335 0.072 17645 7204 1 18 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.464 0.816 17645 7205 1 18 . 1 1 45 45 ASP CB C 60 40.760 40.760 39.997 0.763 17645 7206 1 18 . 1 1 45 45 ASP H H 60 8.406 8.406 7.955 0.451 17645 7207 1 18 . 1 1 46 46 ALA N N 61 123.500 123.500 122.594 0.906 17645 7208 1 18 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.054 0.147 17645 7209 1 18 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.075 0.635 17645 7210 1 18 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.488 0.172 17645 7211 1 18 . 1 1 46 46 ALA H H 61 8.538 8.538 8.017 0.521 17645 7212 1 18 . 1 1 47 47 LEU N N 62 121.942 121.942 119.681 2.261 17645 7213 1 18 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.884 0.410 17645 7214 1 18 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.703 -0.043 17645 7215 1 18 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.852 -0.712 17645 7216 1 18 . 1 1 47 47 LEU H H 62 7.801 7.801 7.754 0.047 17645 7217 1 18 . 1 1 48 48 MET N N 63 118.068 118.068 118.664 -0.596 17645 7218 1 18 . 1 1 48 48 MET HA H 63 3.945 3.945 3.866 0.079 17645 7219 1 18 . 1 1 48 48 MET CA C 63 60.330 60.330 59.278 1.052 17645 7220 1 18 . 1 1 48 48 MET CB C 63 33.110 33.110 32.457 0.653 17645 7221 1 18 . 1 1 48 48 MET H H 63 8.261 8.261 7.802 0.459 17645 7222 1 18 . 1 1 49 49 ALA N N 64 120.428 120.428 118.212 2.216 17645 7223 1 18 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.099 0.002 17645 7224 1 18 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.518 1.252 17645 7225 1 18 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.414 0.356 17645 7226 1 18 . 1 1 49 49 ALA H H 64 8.045 8.045 7.893 0.152 17645 7227 1 18 . 1 1 50 50 LYS N N 65 121.947 121.947 116.757 5.190 17645 7228 1 18 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.257 -0.218 17645 7229 1 18 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.506 2.014 17645 7230 1 18 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.902 0.778 17645 7231 1 18 . 1 1 50 50 LYS H H 65 8.063 8.063 7.628 0.435 17645 7232 1 18 . 1 1 51 51 ILE N N 66 121.189 121.189 117.958 3.231 17645 7233 1 18 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.954 -0.204 17645 7234 1 18 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.385 3.355 17645 7235 1 18 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.351 1.769 17645 7236 1 18 . 1 1 51 51 ILE H H 66 8.437 8.437 8.260 0.177 17645 7237 1 18 . 1 1 52 52 LYS N N 67 117.119 117.119 118.862 -1.743 17645 7238 1 18 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.358 -0.222 17645 7239 1 18 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.442 1.768 17645 7240 1 18 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.051 0.629 17645 7241 1 18 . 1 1 52 52 LYS H H 67 7.622 7.622 7.820 -0.198 17645 7242 1 18 . 1 1 53 53 SER N N 68 111.824 111.824 113.993 -2.169 17645 7243 1 18 . 1 1 53 53 SER HA H 68 4.602 4.602 4.701 -0.099 17645 7244 1 18 . 1 1 53 53 SER CA C 68 59.960 59.960 58.376 1.584 17645 7245 1 18 . 1 1 53 53 SER CB C 68 65.750 65.750 63.768 1.982 17645 7246 1 18 . 1 1 53 53 SER H H 68 7.750 7.750 7.806 -0.056 17645 7247 1 18 . 1 1 54 54 THR N N 69 115.916 115.916 113.646 2.270 17645 7248 1 18 . 1 1 54 54 THR HA H 69 4.596 4.596 4.505 0.091 17645 7249 1 18 . 1 1 54 54 THR CA C 69 62.460 62.460 62.024 0.436 17645 7250 1 18 . 1 1 54 54 THR CB C 69 71.650 71.650 69.752 1.898 17645 7251 1 18 . 1 1 54 54 THR H H 69 7.972 7.972 7.229 0.743 17645 7252 1 18 . 1 1 55 55 MET N N 70 121.343 121.343 120.445 0.898 17645 7253 1 18 . 1 1 55 55 MET HA H 70 4.551 4.551 4.715 -0.164 17645 7254 1 18 . 1 1 55 55 MET CA C 70 56.050 56.050 54.513 1.537 17645 7255 1 18 . 1 1 55 55 MET CB C 70 32.500 32.500 33.511 -1.011 17645 7256 1 18 . 1 1 55 55 MET H H 70 8.306 8.306 8.323 -0.017 17645 7257 1 18 . 1 1 56 56 MET N N 71 123.196 123.196 121.645 1.551 17645 7258 1 18 . 1 1 56 56 MET HA H 71 4.706 4.706 4.378 0.328 17645 7259 1 18 . 1 1 56 56 MET CA C 71 55.860 55.860 56.355 -0.494 17645 7260 1 18 . 1 1 56 56 MET CB C 71 37.620 37.620 33.091 4.529 17645 7261 1 18 . 1 1 56 56 MET H H 71 8.114 8.114 7.721 0.393 17645 7262 1 18 . 1 1 57 57 THR N N 72 113.158 113.158 117.621 -4.463 17645 7263 1 18 . 1 1 57 57 THR HA H 72 4.483 4.483 4.438 0.045 17645 7264 1 18 . 1 1 57 57 THR CA C 72 61.080 61.080 62.163 -1.083 17645 7265 1 18 . 1 1 57 57 THR CB C 72 71.670 71.670 69.668 2.002 17645 7266 1 18 . 1 1 57 57 THR H H 72 8.486 8.486 8.218 0.268 17645 7267 1 18 . 1 1 58 58 ARG N N 73 121.911 121.911 124.942 -3.031 17645 7268 1 18 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.936 -0.027 17645 7269 1 18 . 1 1 58 58 ARG CA C 73 60.520 60.520 60.032 0.488 17645 7270 1 18 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.088 0.242 17645 7271 1 18 . 1 1 58 58 ARG H H 73 8.961 8.961 8.782 0.179 17645 7272 1 18 . 1 1 59 59 GLU N N 74 118.955 118.955 119.298 -0.343 17645 7273 1 18 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.029 0.003 17645 7274 1 18 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.639 0.251 17645 7275 1 18 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.991 0.969 17645 7276 1 18 . 1 1 59 59 GLU H H 74 8.833 8.833 8.804 0.029 17645 7277 1 18 . 1 1 60 60 GLN N N 75 121.077 121.077 118.834 2.243 17645 7278 1 18 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.090 -0.100 17645 7279 1 18 . 1 1 60 60 GLN CA C 75 59.400 59.400 59.024 0.376 17645 7280 1 18 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.447 0.943 17645 7281 1 18 . 1 1 60 60 GLN H H 75 7.801 7.801 7.660 0.141 17645 7282 1 18 . 1 1 61 61 ILE N N 76 120.016 120.016 118.723 1.293 17645 7283 1 18 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.834 -0.405 17645 7284 1 18 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.215 3.644 17645 7285 1 18 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.674 2.036 17645 7286 1 18 . 1 1 61 61 ILE H H 76 8.250 8.250 7.428 0.822 17645 7287 1 18 . 1 1 62 62 GLN N N 77 119.153 119.153 120.647 -1.494 17645 7288 1 18 . 1 1 62 62 GLN HA H 77 3.767 3.767 3.976 -0.209 17645 7289 1 18 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.878 -0.108 17645 7290 1 18 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.480 0.600 17645 7291 1 18 . 1 1 62 62 GLN H H 77 8.295 8.295 8.347 -0.052 17645 7292 1 18 . 1 1 63 63 LYS N N 78 118.200 118.200 119.812 -1.612 17645 7293 1 18 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.005 0.149 17645 7294 1 18 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.821 0.329 17645 7295 1 18 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.208 1.102 17645 7296 1 18 . 1 1 63 63 LYS H H 78 7.839 7.839 7.827 0.012 17645 7297 1 18 . 1 1 64 64 GLU N N 79 120.133 120.133 119.989 0.144 17645 7298 1 18 . 1 1 64 64 GLU HA H 79 4.142 4.142 4.006 0.136 17645 7299 1 18 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.529 0.801 17645 7300 1 18 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.674 0.936 17645 7301 1 18 . 1 1 64 64 GLU H H 79 7.899 7.899 7.837 0.062 17645 7302 1 18 . 1 1 65 65 TYR N N 80 122.505 122.505 119.565 2.940 17645 7303 1 18 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.218 -0.276 17645 7304 1 18 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.427 1.333 17645 7305 1 18 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.416 1.054 17645 7306 1 18 . 1 1 65 65 TYR H H 80 9.023 9.023 8.301 0.722 17645 7307 1 18 . 1 1 66 66 ASP N N 81 120.497 120.497 119.512 0.985 17645 7308 1 18 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.338 -0.121 17645 7309 1 18 . 1 1 66 66 ASP CA C 81 58.100 58.100 56.733 1.367 17645 7310 1 18 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.424 0.216 17645 7311 1 18 . 1 1 66 66 ASP H H 81 9.089 9.089 7.822 1.267 17645 7312 1 18 . 1 1 67 67 ALA N N 82 122.397 122.397 122.156 0.241 17645 7313 1 18 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.014 0.173 17645 7314 1 18 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.175 0.655 17645 7315 1 18 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.581 0.339 17645 7316 1 18 . 1 1 67 67 ALA H H 82 7.636 7.636 8.181 -0.545 17645 7317 1 18 . 1 1 68 68 LEU N N 83 121.806 121.806 118.322 3.484 17645 7318 1 18 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.029 0.116 17645 7319 1 18 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.794 0.486 17645 7320 1 18 . 1 1 68 68 LEU CB C 83 42.860 42.860 42.067 0.793 17645 7321 1 18 . 1 1 68 68 LEU H H 83 7.727 7.727 7.610 0.117 17645 7322 1 18 . 1 1 69 69 VAL N N 84 123.560 123.560 120.101 3.459 17645 7323 1 18 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.506 -0.201 17645 7324 1 18 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.660 1.380 17645 7325 1 18 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.151 1.039 17645 7326 1 18 . 1 1 69 69 VAL H H 84 8.560 8.560 7.726 0.834 17645 7327 1 18 . 1 1 70 70 LYS N N 85 121.398 121.398 120.276 1.122 17645 7328 1 18 . 1 1 70 70 LYS HA H 85 4.092 4.092 3.998 0.094 17645 7329 1 18 . 1 1 70 70 LYS CA C 85 60.250 60.250 58.885 1.365 17645 7330 1 18 . 1 1 70 70 LYS CB C 85 32.760 32.760 31.944 0.816 17645 7331 1 18 . 1 1 70 70 LYS H H 85 7.956 7.956 8.552 -0.596 17645 7332 1 18 . 1 1 71 71 SER N N 86 114.825 114.825 115.640 -0.815 17645 7333 1 18 . 1 1 71 71 SER HA H 86 4.298 4.298 4.232 0.066 17645 7334 1 18 . 1 1 71 71 SER CA C 86 62.810 62.810 61.672 1.138 17645 7335 1 18 . 1 1 71 71 SER CB C 86 63.640 63.640 63.034 0.606 17645 7336 1 18 . 1 1 71 71 SER H H 86 8.284 8.284 7.885 0.399 17645 7337 1 18 . 1 1 72 72 SER N N 87 118.845 118.845 117.619 1.226 17645 7338 1 18 . 1 1 72 72 SER HA H 87 4.269 4.269 4.003 0.266 17645 7339 1 18 . 1 1 72 72 SER CA C 87 62.940 62.940 61.968 0.972 17645 7340 1 18 . 1 1 72 72 SER CB C 87 63.870 63.870 62.763 1.107 17645 7341 1 18 . 1 1 72 72 SER H H 87 8.421 8.421 8.241 0.180 17645 7342 1 18 . 1 1 73 73 GLU N N 88 124.809 124.809 121.098 3.711 17645 7343 1 18 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.910 0.142 17645 7344 1 18 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.463 0.767 17645 7345 1 18 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.602 0.628 17645 7346 1 18 . 1 1 73 73 GLU H H 88 8.376 8.376 7.768 0.608 17645 7347 1 18 . 1 1 74 74 ASP N N 89 122.193 122.193 120.098 2.095 17645 7348 1 18 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.383 0.028 17645 7349 1 18 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.972 0.938 17645 7350 1 18 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.848 -0.268 17645 7351 1 18 . 1 1 74 74 ASP H H 89 8.734 8.734 7.759 0.975 17645 7352 1 18 . 1 1 75 75 LEU N N 90 123.280 123.280 121.385 1.895 17645 7353 1 18 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.899 0.391 17645 7354 1 18 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.202 0.359 17645 7355 1 18 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.882 0.148 17645 7356 1 18 . 1 1 75 75 LEU H H 90 7.986 7.986 7.414 0.572 17645 7357 1 18 . 1 1 76 76 LEU N N 91 120.488 120.488 118.511 1.977 17645 7358 1 18 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.803 0.035 17645 7359 1 18 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.007 1.193 17645 7360 1 18 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.947 0.563 17645 7361 1 18 . 1 1 76 76 LEU H H 91 8.280 8.280 7.704 0.576 17645 7362 1 18 . 1 1 77 77 SER N N 92 113.817 113.817 114.524 -0.707 17645 7363 1 18 . 1 1 77 77 SER HA H 92 4.235 4.235 4.020 0.215 17645 7364 1 18 . 1 1 77 77 SER CA C 92 62.200 62.200 62.207 -0.007 17645 7365 1 18 . 1 1 77 77 SER CB C 92 63.440 63.440 62.914 0.526 17645 7366 1 18 . 1 1 77 77 SER H H 92 8.219 8.219 8.325 -0.106 17645 7367 1 18 . 1 1 78 78 ALA N N 93 124.902 124.902 123.868 1.034 17645 7368 1 18 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.132 0.034 17645 7369 1 18 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.852 1.008 17645 7370 1 18 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.267 0.493 17645 7371 1 18 . 1 1 78 78 ALA H H 93 7.949 7.949 7.734 0.215 17645 7372 1 18 . 1 1 79 79 LEU N N 94 120.602 120.602 119.541 1.061 17645 7373 1 18 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.886 0.180 17645 7374 1 18 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.147 0.323 17645 7375 1 18 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.825 0.785 17645 7376 1 18 . 1 1 79 79 LEU H H 94 8.587 8.587 7.733 0.854 17645 7377 1 18 . 1 1 80 80 GLN N N 95 119.525 119.525 118.779 0.746 17645 7378 1 18 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.943 0.105 17645 7379 1 18 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.217 0.373 17645 7380 1 18 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.177 0.663 17645 7381 1 18 . 1 1 80 80 GLN H H 95 8.561 8.561 8.636 -0.075 17645 7382 1 18 . 1 1 81 81 LYS N N 96 121.075 121.075 118.116 2.959 17645 7383 1 18 . 1 1 81 81 LYS HA H 96 4.137 4.137 3.970 0.167 17645 7384 1 18 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.081 0.968 17645 7385 1 18 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.022 0.918 17645 7386 1 18 . 1 1 81 81 LYS H H 96 8.003 8.003 7.862 0.141 17645 7387 1 18 . 1 1 82 82 LYS N N 97 121.415 121.415 120.479 0.936 17645 7388 1 18 . 1 1 82 82 LYS HA H 97 4.125 4.125 3.964 0.161 17645 7389 1 18 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.707 0.263 17645 7390 1 18 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.208 0.912 17645 7391 1 18 . 1 1 82 82 LYS H H 97 7.903 7.903 7.732 0.171 17645 7392 1 18 . 1 1 83 83 LYS N N 98 121.081 121.081 119.164 1.917 17645 7393 1 18 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.073 -0.091 17645 7394 1 18 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.497 0.513 17645 7395 1 18 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.313 0.807 17645 7396 1 18 . 1 1 83 83 LYS H H 98 8.202 8.202 7.924 0.278 17645 7397 1 18 . 1 1 84 84 GLN N N 99 119.576 119.576 117.289 2.287 17645 7398 1 18 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.087 0.037 17645 7399 1 18 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.328 1.482 17645 7400 1 18 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.663 0.297 17645 7401 1 18 . 1 1 84 84 GLN H H 99 8.125 8.125 7.790 0.335 17645 7402 1 18 . 1 1 85 85 GLN N N 100 120.009 120.009 118.494 1.515 17645 7403 1 18 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.167 -0.046 17645 7404 1 18 . 1 1 85 85 GLN CA C 100 59.590 59.590 56.887 2.703 17645 7405 1 18 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.494 -0.474 17645 7406 1 18 . 1 1 85 85 GLN H H 100 8.341 8.341 7.561 0.780 17645 7407 1 18 . 1 1 86 86 GLU N N 101 121.718 121.718 115.026 6.692 17645 7408 1 18 . 1 1 86 86 GLU HA H 101 4.135 4.135 3.972 0.163 17645 7409 1 18 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.614 2.816 17645 7410 1 18 . 1 1 86 86 GLU CB C 101 30.140 30.140 28.549 1.591 17645 7411 1 18 . 1 1 86 86 GLU H H 101 8.275 8.275 7.926 0.349 17645 7412 1 18 . 1 1 87 87 GLU N N 102 121.412 121.412 117.504 3.908 17645 7413 1 18 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.514 -0.398 17645 7414 1 18 . 1 1 87 87 GLU CA C 102 59.960 59.960 55.061 4.899 17645 7415 1 18 . 1 1 87 87 GLU CB C 102 30.290 30.290 31.468 -1.178 17645 7416 1 18 . 1 1 87 87 GLU H H 102 8.330 8.330 8.123 0.207 17645 7417 1 19 . 1 1 2 2 GLY N N 17 110.356 110.356 113.376 -3.020 17645 7418 1 19 . 1 1 2 2 GLY CA C 17 45.610 45.610 45.825 -0.215 17645 7419 1 19 . 1 1 2 2 GLY H H 17 8.065 8.065 8.334 -0.269 17645 7420 1 19 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.492 -0.099 17645 7421 1 19 . 1 1 3 3 PRO CA C 18 64.670 64.670 62.775 1.895 17645 7422 1 19 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.490 0.210 17645 7423 1 19 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.678 1.052 17645 7424 1 19 . 1 1 5 5 SER HA H 20 4.192 4.192 4.260 -0.068 17645 7425 1 19 . 1 1 5 5 SER CA C 20 60.960 60.960 61.312 -0.352 17645 7426 1 19 . 1 1 5 5 SER CB C 20 64.250 64.250 63.092 1.158 17645 7427 1 19 . 1 1 6 6 LEU N N 21 122.731 122.731 122.443 0.288 17645 7428 1 19 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.083 0.037 17645 7429 1 19 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.342 0.378 17645 7430 1 19 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.706 1.264 17645 7431 1 19 . 1 1 6 6 LEU H H 21 8.052 8.052 8.069 -0.017 17645 7432 1 19 . 1 1 7 7 VAL N N 22 119.948 119.948 119.122 0.826 17645 7433 1 19 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.452 0.301 17645 7434 1 19 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.778 -1.429 17645 7435 1 19 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.273 1.327 17645 7436 1 19 . 1 1 7 7 VAL H H 22 7.676 7.676 7.737 -0.061 17645 7437 1 19 . 1 1 8 8 LYS N N 23 122.400 122.400 119.657 2.743 17645 7438 1 19 . 1 1 8 8 LYS HA H 23 4.187 4.187 3.999 0.188 17645 7439 1 19 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.218 -0.388 17645 7440 1 19 . 1 1 8 8 LYS CB C 23 32.560 32.560 31.934 0.626 17645 7441 1 19 . 1 1 8 8 LYS H H 23 7.830 7.830 7.587 0.243 17645 7442 1 19 . 1 1 9 9 VAL N N 24 121.205 121.205 119.004 2.201 17645 7443 1 19 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.905 -0.079 17645 7444 1 19 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.817 0.043 17645 7445 1 19 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.439 1.011 17645 7446 1 19 . 1 1 9 9 VAL H H 24 8.194 8.194 7.757 0.437 17645 7447 1 19 . 1 1 10 10 GLY N N 25 107.900 107.900 106.358 1.542 17645 7448 1 19 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.715 -0.055 17645 7449 1 19 . 1 1 10 10 GLY H H 25 8.446 8.446 8.288 0.158 17645 7450 1 19 . 1 1 11 11 THR N N 26 116.800 116.800 118.995 -2.195 17645 7451 1 19 . 1 1 11 11 THR HA H 26 4.109 4.109 3.903 0.206 17645 7452 1 19 . 1 1 11 11 THR CA C 26 66.300 66.300 66.089 0.211 17645 7453 1 19 . 1 1 11 11 THR CB C 26 69.690 69.690 68.142 1.548 17645 7454 1 19 . 1 1 11 11 THR H H 26 7.992 7.992 8.133 -0.141 17645 7455 1 19 . 1 1 12 12 LEU N N 27 123.983 123.983 122.398 1.585 17645 7456 1 19 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.977 0.150 17645 7457 1 19 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.825 0.645 17645 7458 1 19 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.762 1.048 17645 7459 1 19 . 1 1 12 12 LEU H H 27 7.934 7.934 7.838 0.096 17645 7460 1 19 . 1 1 13 13 LYS N N 28 117.513 117.513 119.485 -1.972 17645 7461 1 19 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.925 -0.022 17645 7462 1 19 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.948 0.202 17645 7463 1 19 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.184 0.546 17645 7464 1 19 . 1 1 13 13 LYS H H 28 7.824 7.824 7.750 0.074 17645 7465 1 19 . 1 1 14 14 LYS N N 29 119.275 119.275 119.139 0.136 17645 7466 1 19 . 1 1 14 14 LYS HA H 29 4.151 4.151 4.005 0.146 17645 7467 1 19 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.144 0.316 17645 7468 1 19 . 1 1 14 14 LYS CB C 29 32.750 32.750 31.976 0.774 17645 7469 1 19 . 1 1 14 14 LYS H H 29 7.685 7.685 7.668 0.017 17645 7470 1 19 . 1 1 15 15 ARG N N 30 119.090 119.090 119.925 -0.835 17645 7471 1 19 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.761 0.299 17645 7472 1 19 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.643 0.387 17645 7473 1 19 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.616 0.894 17645 7474 1 19 . 1 1 15 15 ARG H H 30 7.709 7.709 7.579 0.130 17645 7475 1 19 . 1 1 16 16 LEU N N 31 118.473 118.473 121.048 -2.575 17645 7476 1 19 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.133 -0.156 17645 7477 1 19 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.048 0.032 17645 7478 1 19 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.685 -0.366 17645 7479 1 19 . 1 1 16 16 LEU H H 31 7.595 7.595 8.112 -0.517 17645 7480 1 19 . 1 1 17 17 ASP N N 32 120.020 120.020 119.136 0.884 17645 7481 1 19 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.294 0.145 17645 7482 1 19 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.675 0.305 17645 7483 1 19 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.344 0.536 17645 7484 1 19 . 1 1 17 17 ASP H H 32 7.858 7.858 7.818 0.040 17645 7485 1 19 . 1 1 18 18 LYS N N 33 119.708 119.708 120.822 -1.114 17645 7486 1 19 . 1 1 18 18 LYS HA H 33 4.198 4.198 4.254 -0.056 17645 7487 1 19 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.275 0.195 17645 7488 1 19 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.668 0.522 17645 7489 1 19 . 1 1 18 18 LYS H H 33 7.564 7.564 7.698 -0.134 17645 7490 1 19 . 1 1 19 19 PHE N N 34 118.256 118.256 118.015 0.241 17645 7491 1 19 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.201 0.050 17645 7492 1 19 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.487 0.223 17645 7493 1 19 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.867 0.883 17645 7494 1 19 . 1 1 19 19 PHE H H 34 7.884 7.884 7.541 0.343 17645 7495 1 19 . 1 1 20 20 ASN N N 35 117.779 117.779 117.996 -0.217 17645 7496 1 19 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.399 0.061 17645 7497 1 19 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.698 0.652 17645 7498 1 19 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.094 0.906 17645 7499 1 19 . 1 1 20 20 ASN H H 35 8.054 8.054 8.088 -0.034 17645 7500 1 19 . 1 1 21 21 GLU N N 36 120.312 120.312 120.611 -0.299 17645 7501 1 19 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.027 0.079 17645 7502 1 19 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.702 0.068 17645 7503 1 19 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.752 0.758 17645 7504 1 19 . 1 1 21 21 GLU H H 36 7.983 7.983 7.721 0.262 17645 7505 1 19 . 1 1 22 22 VAL N N 37 119.756 119.756 119.645 0.111 17645 7506 1 19 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.713 0.129 17645 7507 1 19 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.885 -0.775 17645 7508 1 19 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.626 1.054 17645 7509 1 19 . 1 1 22 22 VAL H H 37 7.670 7.670 7.780 -0.110 17645 7510 1 19 . 1 1 23 23 VAL N N 38 118.300 118.300 119.021 -0.721 17645 7511 1 19 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.719 -0.042 17645 7512 1 19 . 1 1 23 23 VAL CA C 38 66.550 66.550 64.725 1.825 17645 7513 1 19 . 1 1 23 23 VAL CB C 38 32.480 32.480 30.575 1.905 17645 7514 1 19 . 1 1 23 23 VAL H H 38 8.159 8.159 8.456 -0.297 17645 7515 1 19 . 1 1 24 24 SER N N 39 113.952 113.952 115.823 -1.871 17645 7516 1 19 . 1 1 24 24 SER HA H 39 4.170 4.170 4.264 -0.094 17645 7517 1 19 . 1 1 24 24 SER CA C 39 61.880 61.880 61.095 0.785 17645 7518 1 19 . 1 1 24 24 SER CB C 39 63.740 63.740 63.008 0.733 17645 7519 1 19 . 1 1 24 24 SER H H 39 7.773 7.773 8.158 -0.385 17645 7520 1 19 . 1 1 25 25 ALA N N 40 122.572 122.572 123.170 -0.598 17645 7521 1 19 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.176 0.249 17645 7522 1 19 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.623 -1.743 17645 7523 1 19 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.062 1.388 17645 7524 1 19 . 1 1 25 25 ALA H H 40 7.436 7.436 7.675 -0.239 17645 7525 1 19 . 1 1 26 26 LEU N N 41 120.677 120.677 113.564 7.113 17645 7526 1 19 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.461 -0.080 17645 7527 1 19 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.153 0.707 17645 7528 1 19 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.404 0.786 17645 7529 1 19 . 1 1 26 26 LEU H H 41 7.499 7.499 7.406 0.093 17645 7530 1 19 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.966 0.319 17645 7531 1 19 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.608 0.642 17645 7532 1 19 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.785 2.085 17645 7533 1 19 . 1 1 28 28 ASP N N 43 120.989 120.989 115.567 5.422 17645 7534 1 19 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.419 0.382 17645 7535 1 19 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.347 -0.787 17645 7536 1 19 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.196 2.244 17645 7537 1 19 . 1 1 28 28 ASP H H 43 8.513 8.513 8.373 0.140 17645 7538 1 19 . 1 1 29 29 GLY N N 44 108.379 108.379 108.404 -0.025 17645 7539 1 19 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.714 0.826 17645 7540 1 19 . 1 1 29 29 GLY H H 44 8.425 8.425 8.480 -0.055 17645 7541 1 19 . 1 1 30 30 LYS N N 45 119.932 119.932 120.364 -0.432 17645 7542 1 19 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.107 -0.028 17645 7543 1 19 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.652 0.868 17645 7544 1 19 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.185 0.885 17645 7545 1 19 . 1 1 30 30 LYS H H 45 8.269 8.269 8.527 -0.258 17645 7546 1 19 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.297 0.011 17645 7547 1 19 . 1 1 31 31 PRO CA C 46 67.040 67.040 65.882 1.159 17645 7548 1 19 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.411 0.409 17645 7549 1 19 . 1 1 32 32 GLU N N 47 118.526 118.526 118.735 -0.209 17645 7550 1 19 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.143 -0.010 17645 7551 1 19 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.439 0.731 17645 7552 1 19 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.508 0.402 17645 7553 1 19 . 1 1 32 32 GLU H H 47 8.189 8.189 8.361 -0.172 17645 7554 1 19 . 1 1 33 33 VAL N N 48 120.183 120.183 120.350 -0.167 17645 7555 1 19 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.938 -0.026 17645 7556 1 19 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.404 -0.104 17645 7557 1 19 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.870 0.490 17645 7558 1 19 . 1 1 33 33 VAL H H 48 7.744 7.744 8.206 -0.462 17645 7559 1 19 . 1 1 34 34 ASN N N 49 119.700 119.700 117.391 2.309 17645 7560 1 19 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.419 0.031 17645 7561 1 19 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.262 0.788 17645 7562 1 19 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.840 0.810 17645 7563 1 19 . 1 1 34 34 ASN H H 49 8.582 8.582 8.758 -0.176 17645 7564 1 19 . 1 1 35 35 ARG N N 50 121.009 121.009 120.545 0.464 17645 7565 1 19 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.025 0.112 17645 7566 1 19 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.468 0.302 17645 7567 1 19 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.381 0.389 17645 7568 1 19 . 1 1 35 35 ARG H H 50 7.848 7.848 7.931 -0.083 17645 7569 1 19 . 1 1 36 36 GLN N N 51 119.394 119.394 118.613 0.781 17645 7570 1 19 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.135 -0.072 17645 7571 1 19 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.748 1.262 17645 7572 1 19 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.599 1.171 17645 7573 1 19 . 1 1 36 36 GLN H H 51 7.685 7.685 7.798 -0.113 17645 7574 1 19 . 1 1 37 37 ILE N N 52 122.006 122.006 121.083 0.923 17645 7575 1 19 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.724 -0.270 17645 7576 1 19 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.215 1.085 17645 7577 1 19 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.394 1.506 17645 7578 1 19 . 1 1 37 37 ILE H H 52 8.293 8.293 8.995 -0.702 17645 7579 1 19 . 1 1 38 38 LYS N N 53 121.163 121.163 120.567 0.596 17645 7580 1 19 . 1 1 38 38 LYS HA H 53 4.171 4.171 4.027 0.144 17645 7581 1 19 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.382 -0.332 17645 7582 1 19 . 1 1 38 38 LYS CB C 53 31.930 31.930 31.986 -0.056 17645 7583 1 19 . 1 1 38 38 LYS H H 53 8.169 8.169 7.808 0.361 17645 7584 1 19 . 1 1 39 39 ASN N N 54 117.219 117.219 118.630 -1.411 17645 7585 1 19 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.415 0.068 17645 7586 1 19 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.080 0.530 17645 7587 1 19 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.861 0.579 17645 7588 1 19 . 1 1 39 39 ASN H H 54 8.171 8.171 7.877 0.294 17645 7589 1 19 . 1 1 40 40 LEU N N 55 123.907 123.907 120.769 3.138 17645 7590 1 19 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.139 0.066 17645 7591 1 19 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.349 0.491 17645 7592 1 19 . 1 1 40 40 LEU CB C 55 42.070 42.070 40.981 1.089 17645 7593 1 19 . 1 1 40 40 LEU H H 55 7.702 7.702 8.056 -0.354 17645 7594 1 19 . 1 1 41 41 GLU N N 56 121.779 121.779 119.817 1.962 17645 7595 1 19 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.053 -0.351 17645 7596 1 19 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.707 1.743 17645 7597 1 19 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.501 0.829 17645 7598 1 19 . 1 1 41 41 GLU H H 56 8.442 8.442 7.938 0.504 17645 7599 1 19 . 1 1 42 42 ILE N N 57 119.133 119.133 119.955 -0.822 17645 7600 1 19 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.730 0.153 17645 7601 1 19 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.188 0.362 17645 7602 1 19 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.782 1.168 17645 7603 1 19 . 1 1 42 42 ILE H H 57 8.531 8.531 8.597 -0.066 17645 7604 1 19 . 1 1 43 43 SER N N 58 118.622 118.622 115.826 2.796 17645 7605 1 19 . 1 1 43 43 SER HA H 58 4.322 4.322 4.113 0.209 17645 7606 1 19 . 1 1 43 43 SER CA C 58 62.940 62.940 61.976 0.964 17645 7607 1 19 . 1 1 43 43 SER CB C 58 63.500 63.500 62.900 0.600 17645 7608 1 19 . 1 1 43 43 SER H H 58 8.027 8.027 7.939 0.088 17645 7609 1 19 . 1 1 44 44 ILE N N 59 126.416 126.416 121.713 4.703 17645 7610 1 19 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.610 0.018 17645 7611 1 19 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.882 1.028 17645 7612 1 19 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.843 1.317 17645 7613 1 19 . 1 1 44 44 ILE H H 59 8.543 8.543 8.345 0.198 17645 7614 1 19 . 1 1 45 45 ASP N N 60 121.563 121.563 119.984 1.579 17645 7615 1 19 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.330 0.077 17645 7616 1 19 . 1 1 45 45 ASP CA C 60 58.280 58.280 58.178 0.102 17645 7617 1 19 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.385 0.375 17645 7618 1 19 . 1 1 45 45 ASP H H 60 8.406 8.406 7.999 0.407 17645 7619 1 19 . 1 1 46 46 ALA N N 61 123.500 123.500 122.652 0.848 17645 7620 1 19 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.049 0.153 17645 7621 1 19 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.116 0.594 17645 7622 1 19 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.467 0.193 17645 7623 1 19 . 1 1 46 46 ALA H H 61 8.538 8.538 8.019 0.519 17645 7624 1 19 . 1 1 47 47 LEU N N 62 121.942 121.942 119.975 1.967 17645 7625 1 19 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.901 0.393 17645 7626 1 19 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.514 0.145 17645 7627 1 19 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.845 -0.705 17645 7628 1 19 . 1 1 47 47 LEU H H 62 7.801 7.801 7.738 0.063 17645 7629 1 19 . 1 1 48 48 MET N N 63 118.068 118.068 118.607 -0.539 17645 7630 1 19 . 1 1 48 48 MET HA H 63 3.945 3.945 3.869 0.076 17645 7631 1 19 . 1 1 48 48 MET CA C 63 60.330 60.330 59.270 1.060 17645 7632 1 19 . 1 1 48 48 MET CB C 63 33.110 33.110 32.446 0.665 17645 7633 1 19 . 1 1 48 48 MET H H 63 8.261 8.261 7.806 0.455 17645 7634 1 19 . 1 1 49 49 ALA N N 64 120.428 120.428 118.242 2.186 17645 7635 1 19 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.055 0.046 17645 7636 1 19 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.782 0.988 17645 7637 1 19 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.294 0.476 17645 7638 1 19 . 1 1 49 49 ALA H H 64 8.045 8.045 8.006 0.039 17645 7639 1 19 . 1 1 50 50 LYS N N 65 121.947 121.947 118.569 3.378 17645 7640 1 19 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.271 -0.232 17645 7641 1 19 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.835 1.685 17645 7642 1 19 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.687 0.993 17645 7643 1 19 . 1 1 50 50 LYS H H 65 8.063 8.063 7.878 0.185 17645 7644 1 19 . 1 1 51 51 ILE N N 66 121.189 121.189 120.116 1.073 17645 7645 1 19 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.948 -0.198 17645 7646 1 19 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.727 3.013 17645 7647 1 19 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.125 1.995 17645 7648 1 19 . 1 1 51 51 ILE H H 66 8.437 8.437 8.404 0.033 17645 7649 1 19 . 1 1 52 52 LYS N N 67 117.119 117.119 119.280 -2.161 17645 7650 1 19 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.325 -0.189 17645 7651 1 19 . 1 1 52 52 LYS CA C 67 59.210 59.210 58.179 1.031 17645 7652 1 19 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.434 0.246 17645 7653 1 19 . 1 1 52 52 LYS H H 67 7.622 7.622 7.974 -0.352 17645 7654 1 19 . 1 1 53 53 SER N N 68 111.824 111.824 114.427 -2.603 17645 7655 1 19 . 1 1 53 53 SER HA H 68 4.602 4.602 4.621 -0.019 17645 7656 1 19 . 1 1 53 53 SER CA C 68 59.960 59.960 58.621 1.339 17645 7657 1 19 . 1 1 53 53 SER CB C 68 65.750 65.750 63.159 2.591 17645 7658 1 19 . 1 1 53 53 SER H H 68 7.750 7.750 7.823 -0.073 17645 7659 1 19 . 1 1 54 54 THR N N 69 115.916 115.916 110.884 5.032 17645 7660 1 19 . 1 1 54 54 THR HA H 69 4.596 4.596 4.279 0.317 17645 7661 1 19 . 1 1 54 54 THR CA C 69 62.460 62.460 61.309 1.151 17645 7662 1 19 . 1 1 54 54 THR CB C 69 71.650 71.650 70.222 1.428 17645 7663 1 19 . 1 1 54 54 THR H H 69 7.972 7.972 7.093 0.879 17645 7664 1 19 . 1 1 55 55 MET N N 70 121.343 121.343 121.975 -0.632 17645 7665 1 19 . 1 1 55 55 MET HA H 70 4.551 4.551 4.466 0.085 17645 7666 1 19 . 1 1 55 55 MET CA C 70 56.050 56.050 54.935 1.115 17645 7667 1 19 . 1 1 55 55 MET CB C 70 32.500 32.500 30.718 1.782 17645 7668 1 19 . 1 1 55 55 MET H H 70 8.306 8.306 8.679 -0.373 17645 7669 1 19 . 1 1 56 56 MET N N 71 123.196 123.196 125.049 -1.853 17645 7670 1 19 . 1 1 56 56 MET HA H 71 4.706 4.706 4.474 0.232 17645 7671 1 19 . 1 1 56 56 MET CA C 71 55.860 55.860 55.313 0.547 17645 7672 1 19 . 1 1 56 56 MET CB C 71 37.620 37.620 33.200 4.420 17645 7673 1 19 . 1 1 56 56 MET H H 71 8.114 8.114 7.911 0.203 17645 7674 1 19 . 1 1 57 57 THR N N 72 113.158 113.158 119.381 -6.223 17645 7675 1 19 . 1 1 57 57 THR HA H 72 4.483 4.483 4.432 0.051 17645 7676 1 19 . 1 1 57 57 THR CA C 72 61.080 61.080 61.908 -0.828 17645 7677 1 19 . 1 1 57 57 THR CB C 72 71.670 71.670 69.882 1.788 17645 7678 1 19 . 1 1 57 57 THR H H 72 8.486 8.486 8.391 0.095 17645 7679 1 19 . 1 1 58 58 ARG N N 73 121.911 121.911 124.706 -2.795 17645 7680 1 19 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.933 -0.024 17645 7681 1 19 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.810 0.710 17645 7682 1 19 . 1 1 58 58 ARG CB C 73 30.330 30.330 30.043 0.287 17645 7683 1 19 . 1 1 58 58 ARG H H 73 8.961 8.961 8.863 0.098 17645 7684 1 19 . 1 1 59 59 GLU N N 74 118.955 118.955 118.874 0.081 17645 7685 1 19 . 1 1 59 59 GLU HA H 74 4.032 4.032 3.993 0.039 17645 7686 1 19 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.093 0.797 17645 7687 1 19 . 1 1 59 59 GLU CB C 74 29.960 29.960 29.025 0.935 17645 7688 1 19 . 1 1 59 59 GLU H H 74 8.833 8.833 8.740 0.093 17645 7689 1 19 . 1 1 60 60 GLN N N 75 121.077 121.077 118.722 2.355 17645 7690 1 19 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.054 -0.064 17645 7691 1 19 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.847 0.553 17645 7692 1 19 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.359 1.031 17645 7693 1 19 . 1 1 60 60 GLN H H 75 7.801 7.801 7.692 0.109 17645 7694 1 19 . 1 1 61 61 ILE N N 76 120.016 120.016 119.188 0.828 17645 7695 1 19 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.605 -0.176 17645 7696 1 19 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.743 4.117 17645 7697 1 19 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.503 2.207 17645 7698 1 19 . 1 1 61 61 ILE H H 76 8.250 8.250 7.535 0.715 17645 7699 1 19 . 1 1 62 62 GLN N N 77 119.153 119.153 120.268 -1.115 17645 7700 1 19 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.227 -0.460 17645 7701 1 19 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.094 0.676 17645 7702 1 19 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.267 0.813 17645 7703 1 19 . 1 1 62 62 GLN H H 77 8.295 8.295 8.270 0.025 17645 7704 1 19 . 1 1 63 63 LYS N N 78 118.200 118.200 119.369 -1.169 17645 7705 1 19 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.038 0.116 17645 7706 1 19 . 1 1 63 63 LYS CA C 78 60.150 60.150 58.968 1.182 17645 7707 1 19 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.228 1.082 17645 7708 1 19 . 1 1 63 63 LYS H H 78 7.839 7.839 7.733 0.106 17645 7709 1 19 . 1 1 64 64 GLU N N 79 120.133 120.133 119.790 0.343 17645 7710 1 19 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.954 0.188 17645 7711 1 19 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.736 0.595 17645 7712 1 19 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.400 1.210 17645 7713 1 19 . 1 1 64 64 GLU H H 79 7.899 7.899 7.812 0.087 17645 7714 1 19 . 1 1 65 65 TYR N N 80 122.505 122.505 117.858 4.647 17645 7715 1 19 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.272 -0.330 17645 7716 1 19 . 1 1 65 65 TYR CA C 80 62.760 62.760 60.035 2.725 17645 7717 1 19 . 1 1 65 65 TYR CB C 80 39.470 39.470 37.695 1.775 17645 7718 1 19 . 1 1 65 65 TYR H H 80 9.023 9.023 8.015 1.008 17645 7719 1 19 . 1 1 66 66 ASP N N 81 120.497 120.497 119.197 1.300 17645 7720 1 19 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.331 -0.114 17645 7721 1 19 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.709 0.391 17645 7722 1 19 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.642 -0.001 17645 7723 1 19 . 1 1 66 66 ASP H H 81 9.089 9.089 7.760 1.329 17645 7724 1 19 . 1 1 67 67 ALA N N 82 122.397 122.397 122.093 0.304 17645 7725 1 19 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.041 0.146 17645 7726 1 19 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.172 0.658 17645 7727 1 19 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.634 0.286 17645 7728 1 19 . 1 1 67 67 ALA H H 82 7.636 7.636 8.089 -0.453 17645 7729 1 19 . 1 1 68 68 LEU N N 83 121.806 121.806 118.561 3.245 17645 7730 1 19 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.151 -0.006 17645 7731 1 19 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.930 0.350 17645 7732 1 19 . 1 1 68 68 LEU CB C 83 42.860 42.860 42.031 0.829 17645 7733 1 19 . 1 1 68 68 LEU H H 83 7.727 7.727 7.801 -0.074 17645 7734 1 19 . 1 1 69 69 VAL N N 84 123.560 123.560 120.892 2.668 17645 7735 1 19 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.896 -0.591 17645 7736 1 19 . 1 1 69 69 VAL CA C 84 68.040 68.040 64.846 3.194 17645 7737 1 19 . 1 1 69 69 VAL CB C 84 32.190 32.190 30.588 1.602 17645 7738 1 19 . 1 1 69 69 VAL H H 84 8.560 8.560 8.092 0.468 17645 7739 1 19 . 1 1 70 70 LYS N N 85 121.398 121.398 120.827 0.571 17645 7740 1 19 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.099 -0.007 17645 7741 1 19 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.144 1.106 17645 7742 1 19 . 1 1 70 70 LYS CB C 85 32.760 32.760 31.749 1.011 17645 7743 1 19 . 1 1 70 70 LYS H H 85 7.956 7.956 8.455 -0.499 17645 7744 1 19 . 1 1 71 71 SER N N 86 114.825 114.825 116.021 -1.196 17645 7745 1 19 . 1 1 71 71 SER HA H 86 4.298 4.298 4.215 0.083 17645 7746 1 19 . 1 1 71 71 SER CA C 86 62.810 62.810 61.414 1.396 17645 7747 1 19 . 1 1 71 71 SER CB C 86 63.640 63.640 63.101 0.539 17645 7748 1 19 . 1 1 71 71 SER H H 86 8.284 8.284 7.969 0.315 17645 7749 1 19 . 1 1 72 72 SER N N 87 118.845 118.845 117.361 1.484 17645 7750 1 19 . 1 1 72 72 SER HA H 87 4.269 4.269 4.036 0.233 17645 7751 1 19 . 1 1 72 72 SER CA C 87 62.940 62.940 61.481 1.459 17645 7752 1 19 . 1 1 72 72 SER CB C 87 63.870 63.870 63.122 0.748 17645 7753 1 19 . 1 1 72 72 SER H H 87 8.421 8.421 8.368 0.053 17645 7754 1 19 . 1 1 73 73 GLU N N 88 124.809 124.809 121.822 2.987 17645 7755 1 19 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.910 0.142 17645 7756 1 19 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.423 0.807 17645 7757 1 19 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.438 0.792 17645 7758 1 19 . 1 1 73 73 GLU H H 88 8.376 8.376 7.885 0.491 17645 7759 1 19 . 1 1 74 74 ASP N N 89 122.193 122.193 119.751 2.442 17645 7760 1 19 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.432 -0.021 17645 7761 1 19 . 1 1 74 74 ASP CA C 89 57.910 57.910 56.576 1.334 17645 7762 1 19 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.882 -0.302 17645 7763 1 19 . 1 1 74 74 ASP H H 89 8.734 8.734 7.778 0.956 17645 7764 1 19 . 1 1 75 75 LEU N N 90 123.280 123.280 121.272 2.008 17645 7765 1 19 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.959 0.331 17645 7766 1 19 . 1 1 75 75 LEU CA C 90 58.560 58.560 58.043 0.517 17645 7767 1 19 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.837 0.193 17645 7768 1 19 . 1 1 75 75 LEU H H 90 7.986 7.986 7.413 0.573 17645 7769 1 19 . 1 1 76 76 LEU N N 91 120.488 120.488 118.137 2.351 17645 7770 1 19 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.709 0.129 17645 7771 1 19 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.226 0.974 17645 7772 1 19 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.029 0.481 17645 7773 1 19 . 1 1 76 76 LEU H H 91 8.280 8.280 7.686 0.594 17645 7774 1 19 . 1 1 77 77 SER N N 92 113.817 113.817 115.653 -1.836 17645 7775 1 19 . 1 1 77 77 SER HA H 92 4.235 4.235 4.240 -0.005 17645 7776 1 19 . 1 1 77 77 SER CA C 92 62.200 62.200 61.498 0.702 17645 7777 1 19 . 1 1 77 77 SER CB C 92 63.440 63.440 63.066 0.373 17645 7778 1 19 . 1 1 77 77 SER H H 92 8.219 8.219 7.904 0.315 17645 7779 1 19 . 1 1 78 78 ALA N N 93 124.902 124.902 123.786 1.116 17645 7780 1 19 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.055 0.111 17645 7781 1 19 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.693 1.167 17645 7782 1 19 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.528 0.232 17645 7783 1 19 . 1 1 78 78 ALA H H 93 7.949 7.949 8.214 -0.265 17645 7784 1 19 . 1 1 79 79 LEU N N 94 120.602 120.602 120.900 -0.298 17645 7785 1 19 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.941 0.126 17645 7786 1 19 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.215 0.255 17645 7787 1 19 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.842 0.768 17645 7788 1 19 . 1 1 79 79 LEU H H 94 8.587 8.587 8.006 0.581 17645 7789 1 19 . 1 1 80 80 GLN N N 95 119.525 119.525 118.330 1.195 17645 7790 1 19 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.881 0.167 17645 7791 1 19 . 1 1 80 80 GLN CA C 95 59.590 59.590 60.097 -0.507 17645 7792 1 19 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.404 0.436 17645 7793 1 19 . 1 1 80 80 GLN H H 95 8.561 8.561 8.519 0.042 17645 7794 1 19 . 1 1 81 81 LYS N N 96 121.075 121.075 118.234 2.841 17645 7795 1 19 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.000 0.137 17645 7796 1 19 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.049 1.001 17645 7797 1 19 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.021 0.919 17645 7798 1 19 . 1 1 81 81 LYS H H 96 8.003 8.003 7.895 0.108 17645 7799 1 19 . 1 1 82 82 LYS N N 97 121.415 121.415 120.876 0.539 17645 7800 1 19 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.036 0.089 17645 7801 1 19 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.562 0.408 17645 7802 1 19 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.552 0.568 17645 7803 1 19 . 1 1 82 82 LYS H H 97 7.903 7.903 7.734 0.169 17645 7804 1 19 . 1 1 83 83 LYS N N 98 121.081 121.081 117.054 4.027 17645 7805 1 19 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.216 -0.234 17645 7806 1 19 . 1 1 83 83 LYS CA C 98 60.010 60.010 58.698 1.312 17645 7807 1 19 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.990 1.130 17645 7808 1 19 . 1 1 83 83 LYS H H 98 8.202 8.202 8.205 -0.003 17645 7809 1 19 . 1 1 84 84 GLN N N 99 119.576 119.576 117.890 1.686 17645 7810 1 19 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.135 -0.011 17645 7811 1 19 . 1 1 84 84 GLN CA C 99 59.810 59.810 57.718 2.092 17645 7812 1 19 . 1 1 84 84 GLN CB C 99 28.960 28.960 29.014 -0.054 17645 7813 1 19 . 1 1 84 84 GLN H H 99 8.125 8.125 7.988 0.137 17645 7814 1 19 . 1 1 85 85 GLN N N 100 120.009 120.009 117.557 2.452 17645 7815 1 19 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.200 -0.079 17645 7816 1 19 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.158 2.432 17645 7817 1 19 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.578 -0.558 17645 7818 1 19 . 1 1 85 85 GLN H H 100 8.341 8.341 7.669 0.672 17645 7819 1 19 . 1 1 86 86 GLU N N 101 121.718 121.718 119.830 1.888 17645 7820 1 19 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.064 0.071 17645 7821 1 19 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.641 2.789 17645 7822 1 19 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.041 1.099 17645 7823 1 19 . 1 1 86 86 GLU H H 101 8.275 8.275 7.736 0.539 17645 7824 1 19 . 1 1 87 87 GLU N N 102 121.412 121.412 122.284 -0.872 17645 7825 1 19 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.374 -0.258 17645 7826 1 19 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.418 3.542 17645 7827 1 19 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.239 0.051 17645 7828 1 19 . 1 1 87 87 GLU H H 102 8.330 8.330 8.407 -0.077 17645 7829 1 20 . 1 1 2 2 GLY N N 17 110.356 110.356 109.558 0.798 17645 7830 1 20 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.258 1.352 17645 7831 1 20 . 1 1 2 2 GLY H H 17 8.065 8.065 8.126 -0.061 17645 7832 1 20 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.199 0.194 17645 7833 1 20 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.819 0.851 17645 7834 1 20 . 1 1 3 3 PRO CB C 18 32.700 32.700 32.101 0.599 17645 7835 1 20 . 1 1 4 4 GLY CA C 19 46.730 46.730 46.130 0.600 17645 7836 1 20 . 1 1 5 5 SER HA H 20 4.192 4.192 4.689 -0.497 17645 7837 1 20 . 1 1 5 5 SER CA C 20 60.960 60.960 59.332 1.628 17645 7838 1 20 . 1 1 5 5 SER CB C 20 64.250 64.250 64.489 -0.239 17645 7839 1 20 . 1 1 6 6 LEU N N 21 122.731 122.731 122.629 0.102 17645 7840 1 20 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.004 0.116 17645 7841 1 20 . 1 1 6 6 LEU CA C 21 57.720 57.720 57.911 -0.191 17645 7842 1 20 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.263 1.708 17645 7843 1 20 . 1 1 6 6 LEU H H 21 8.052 8.052 7.489 0.563 17645 7844 1 20 . 1 1 7 7 VAL N N 22 119.948 119.948 118.990 0.958 17645 7845 1 20 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.650 0.103 17645 7846 1 20 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.189 -0.839 17645 7847 1 20 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.135 1.465 17645 7848 1 20 . 1 1 7 7 VAL H H 22 7.676 7.676 8.086 -0.410 17645 7849 1 20 . 1 1 8 8 LYS N N 23 122.400 122.400 118.789 3.611 17645 7850 1 20 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.069 0.118 17645 7851 1 20 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.605 -0.775 17645 7852 1 20 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.326 0.234 17645 7853 1 20 . 1 1 8 8 LYS H H 23 7.830 7.830 7.577 0.253 17645 7854 1 20 . 1 1 9 9 VAL N N 24 121.205 121.205 119.297 1.908 17645 7855 1 20 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.761 0.065 17645 7856 1 20 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.622 0.238 17645 7857 1 20 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.394 1.056 17645 7858 1 20 . 1 1 9 9 VAL H H 24 8.194 8.194 7.470 0.724 17645 7859 1 20 . 1 1 10 10 GLY N N 25 107.900 107.900 106.364 1.536 17645 7860 1 20 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.587 0.072 17645 7861 1 20 . 1 1 10 10 GLY H H 25 8.446 8.446 8.757 -0.311 17645 7862 1 20 . 1 1 11 11 THR N N 26 116.800 116.800 119.565 -2.765 17645 7863 1 20 . 1 1 11 11 THR HA H 26 4.109 4.109 3.881 0.228 17645 7864 1 20 . 1 1 11 11 THR CA C 26 66.300 66.300 66.603 -0.303 17645 7865 1 20 . 1 1 11 11 THR CB C 26 69.690 69.690 68.665 1.025 17645 7866 1 20 . 1 1 11 11 THR H H 26 7.992 7.992 7.696 0.296 17645 7867 1 20 . 1 1 12 12 LEU N N 27 123.983 123.983 122.812 1.171 17645 7868 1 20 . 1 1 12 12 LEU HA H 27 4.127 4.127 4.057 0.070 17645 7869 1 20 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.916 0.554 17645 7870 1 20 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.739 1.071 17645 7871 1 20 . 1 1 12 12 LEU H H 27 7.934 7.934 8.030 -0.096 17645 7872 1 20 . 1 1 13 13 LYS N N 28 117.513 117.513 119.139 -1.626 17645 7873 1 20 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.785 0.118 17645 7874 1 20 . 1 1 13 13 LYS CA C 28 60.150 60.150 60.321 -0.171 17645 7875 1 20 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.169 0.562 17645 7876 1 20 . 1 1 13 13 LYS H H 28 7.824 7.824 7.880 -0.056 17645 7877 1 20 . 1 1 14 14 LYS N N 29 119.275 119.275 119.003 0.272 17645 7878 1 20 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.966 0.185 17645 7879 1 20 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.469 -0.009 17645 7880 1 20 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.153 0.597 17645 7881 1 20 . 1 1 14 14 LYS H H 29 7.685 7.685 7.661 0.024 17645 7882 1 20 . 1 1 15 15 ARG N N 30 119.090 119.090 120.617 -1.527 17645 7883 1 20 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.703 0.357 17645 7884 1 20 . 1 1 15 15 ARG CA C 30 59.030 59.030 59.215 -0.185 17645 7885 1 20 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.809 0.701 17645 7886 1 20 . 1 1 15 15 ARG H H 30 7.709 7.709 7.533 0.176 17645 7887 1 20 . 1 1 16 16 LEU N N 31 118.473 118.473 120.051 -1.578 17645 7888 1 20 . 1 1 16 16 LEU HA H 31 3.977 3.977 4.034 -0.057 17645 7889 1 20 . 1 1 16 16 LEU CA C 31 58.080 58.080 57.929 0.151 17645 7890 1 20 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.004 0.316 17645 7891 1 20 . 1 1 16 16 LEU H H 31 7.595 7.595 7.952 -0.357 17645 7892 1 20 . 1 1 17 17 ASP N N 32 120.020 120.020 118.778 1.242 17645 7893 1 20 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.284 0.155 17645 7894 1 20 . 1 1 17 17 ASP CA C 32 57.980 57.980 58.060 -0.080 17645 7895 1 20 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.551 0.329 17645 7896 1 20 . 1 1 17 17 ASP H H 32 7.858 7.858 7.813 0.045 17645 7897 1 20 . 1 1 18 18 LYS N N 33 119.708 119.708 120.719 -1.011 17645 7898 1 20 . 1 1 18 18 LYS HA H 33 4.198 4.198 4.005 0.193 17645 7899 1 20 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.482 -0.012 17645 7900 1 20 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.687 0.503 17645 7901 1 20 . 1 1 18 18 LYS H H 33 7.564 7.564 7.542 0.022 17645 7902 1 20 . 1 1 19 19 PHE N N 34 118.256 118.256 117.501 0.755 17645 7903 1 20 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.167 0.084 17645 7904 1 20 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.279 0.431 17645 7905 1 20 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.684 1.067 17645 7906 1 20 . 1 1 19 19 PHE H H 34 7.884 7.884 7.275 0.609 17645 7907 1 20 . 1 1 20 20 ASN N N 35 117.779 117.779 117.972 -0.193 17645 7908 1 20 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.391 0.069 17645 7909 1 20 . 1 1 20 20 ASN CA C 35 57.350 57.350 57.136 0.214 17645 7910 1 20 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.170 0.830 17645 7911 1 20 . 1 1 20 20 ASN H H 35 8.054 8.054 8.132 -0.078 17645 7912 1 20 . 1 1 21 21 GLU N N 36 120.312 120.312 120.807 -0.495 17645 7913 1 20 . 1 1 21 21 GLU HA H 36 4.106 4.106 3.997 0.109 17645 7914 1 20 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.668 0.102 17645 7915 1 20 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.721 0.789 17645 7916 1 20 . 1 1 21 21 GLU H H 36 7.983 7.983 7.706 0.277 17645 7917 1 20 . 1 1 22 22 VAL N N 37 119.756 119.756 119.325 0.431 17645 7918 1 20 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.701 0.141 17645 7919 1 20 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.805 -0.695 17645 7920 1 20 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.812 0.868 17645 7921 1 20 . 1 1 22 22 VAL H H 37 7.670 7.670 7.767 -0.097 17645 7922 1 20 . 1 1 23 23 VAL N N 38 118.300 118.300 119.230 -0.930 17645 7923 1 20 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.666 0.011 17645 7924 1 20 . 1 1 23 23 VAL CA C 38 66.550 66.550 66.494 0.056 17645 7925 1 20 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.179 1.301 17645 7926 1 20 . 1 1 23 23 VAL H H 38 8.159 8.159 8.362 -0.203 17645 7927 1 20 . 1 1 24 24 SER N N 39 113.952 113.952 116.515 -2.563 17645 7928 1 20 . 1 1 24 24 SER HA H 39 4.170 4.170 4.275 -0.105 17645 7929 1 20 . 1 1 24 24 SER CA C 39 61.880 61.880 61.663 0.218 17645 7930 1 20 . 1 1 24 24 SER CB C 39 63.740 63.740 62.954 0.786 17645 7931 1 20 . 1 1 24 24 SER H H 39 7.773 7.773 8.192 -0.419 17645 7932 1 20 . 1 1 25 25 ALA N N 40 122.572 122.572 123.187 -0.615 17645 7933 1 20 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.179 0.246 17645 7934 1 20 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.378 -1.498 17645 7935 1 20 . 1 1 25 25 ALA CB C 40 20.450 20.450 19.075 1.375 17645 7936 1 20 . 1 1 25 25 ALA H H 40 7.436 7.436 7.740 -0.304 17645 7937 1 20 . 1 1 26 26 LEU N N 41 120.677 120.677 113.429 7.248 17645 7938 1 20 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.507 -0.126 17645 7939 1 20 . 1 1 26 26 LEU CA C 41 55.860 55.860 54.789 1.071 17645 7940 1 20 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.921 0.269 17645 7941 1 20 . 1 1 26 26 LEU H H 41 7.499 7.499 7.271 0.228 17645 7942 1 20 . 1 1 27 27 LYS HA H 42 4.285 4.285 4.023 0.262 17645 7943 1 20 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.643 0.607 17645 7944 1 20 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.783 2.087 17645 7945 1 20 . 1 1 28 28 ASP N N 43 120.989 120.989 118.799 2.190 17645 7946 1 20 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.313 0.488 17645 7947 1 20 . 1 1 28 28 ASP CA C 43 54.560 54.560 55.509 -0.949 17645 7948 1 20 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.137 2.303 17645 7949 1 20 . 1 1 28 28 ASP H H 43 8.513 8.513 8.655 -0.142 17645 7950 1 20 . 1 1 29 29 GLY N N 44 108.379 108.379 110.356 -1.977 17645 7951 1 20 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.483 1.057 17645 7952 1 20 . 1 1 29 29 GLY H H 44 8.425 8.425 8.624 -0.199 17645 7953 1 20 . 1 1 30 30 LYS N N 45 119.932 119.932 120.565 -0.633 17645 7954 1 20 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.121 -0.042 17645 7955 1 20 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.764 0.756 17645 7956 1 20 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.264 0.806 17645 7957 1 20 . 1 1 30 30 LYS H H 45 8.269 8.269 8.438 -0.169 17645 7958 1 20 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.316 -0.008 17645 7959 1 20 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.076 0.965 17645 7960 1 20 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.219 0.601 17645 7961 1 20 . 1 1 32 32 GLU N N 47 118.526 118.526 118.656 -0.130 17645 7962 1 20 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.083 0.050 17645 7963 1 20 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.777 0.393 17645 7964 1 20 . 1 1 32 32 GLU CB C 47 29.910 29.910 29.263 0.647 17645 7965 1 20 . 1 1 32 32 GLU H H 47 8.189 8.189 8.498 -0.309 17645 7966 1 20 . 1 1 33 33 VAL N N 48 120.183 120.183 120.467 -0.284 17645 7967 1 20 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.481 0.431 17645 7968 1 20 . 1 1 33 33 VAL CA C 48 66.300 66.300 67.134 -0.834 17645 7969 1 20 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.421 0.939 17645 7970 1 20 . 1 1 33 33 VAL H H 48 7.744 7.744 8.274 -0.530 17645 7971 1 20 . 1 1 34 34 ASN N N 49 119.700 119.700 117.350 2.350 17645 7972 1 20 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.426 0.024 17645 7973 1 20 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.323 0.727 17645 7974 1 20 . 1 1 34 34 ASN CB C 49 38.650 38.650 38.034 0.616 17645 7975 1 20 . 1 1 34 34 ASN H H 49 8.582 8.582 8.665 -0.083 17645 7976 1 20 . 1 1 35 35 ARG N N 50 121.009 121.009 121.153 -0.144 17645 7977 1 20 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.029 0.108 17645 7978 1 20 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.585 0.185 17645 7979 1 20 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.226 0.544 17645 7980 1 20 . 1 1 35 35 ARG H H 50 7.848 7.848 7.818 0.030 17645 7981 1 20 . 1 1 36 36 GLN N N 51 119.394 119.394 119.034 0.360 17645 7982 1 20 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.057 0.006 17645 7983 1 20 . 1 1 36 36 GLN CA C 51 60.010 60.010 59.318 0.692 17645 7984 1 20 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.910 0.860 17645 7985 1 20 . 1 1 36 36 GLN H H 51 7.685 7.685 7.718 -0.033 17645 7986 1 20 . 1 1 37 37 ILE N N 52 122.006 122.006 119.722 2.284 17645 7987 1 20 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.688 -0.234 17645 7988 1 20 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.151 1.149 17645 7989 1 20 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.553 1.347 17645 7990 1 20 . 1 1 37 37 ILE H H 52 8.293 8.293 8.869 -0.576 17645 7991 1 20 . 1 1 38 38 LYS N N 53 121.163 121.163 121.015 0.148 17645 7992 1 20 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.903 0.268 17645 7993 1 20 . 1 1 38 38 LYS CA C 53 59.050 59.050 60.046 -0.996 17645 7994 1 20 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.337 -0.406 17645 7995 1 20 . 1 1 38 38 LYS H H 53 8.169 8.169 7.792 0.377 17645 7996 1 20 . 1 1 39 39 ASN N N 54 117.219 117.219 118.779 -1.560 17645 7997 1 20 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.395 0.088 17645 7998 1 20 . 1 1 39 39 ASN CA C 54 56.610 56.610 56.083 0.527 17645 7999 1 20 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.939 0.501 17645 8000 1 20 . 1 1 39 39 ASN H H 54 8.171 8.171 7.843 0.328 17645 8001 1 20 . 1 1 40 40 LEU N N 55 123.907 123.907 120.743 3.164 17645 8002 1 20 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.101 0.104 17645 8003 1 20 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.400 0.440 17645 8004 1 20 . 1 1 40 40 LEU CB C 55 42.070 42.070 40.935 1.135 17645 8005 1 20 . 1 1 40 40 LEU H H 55 7.702 7.702 8.103 -0.401 17645 8006 1 20 . 1 1 41 41 GLU N N 56 121.779 121.779 120.254 1.525 17645 8007 1 20 . 1 1 41 41 GLU HA H 56 3.702 3.702 4.001 -0.299 17645 8008 1 20 . 1 1 41 41 GLU CA C 56 61.450 61.450 60.012 1.438 17645 8009 1 20 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.623 0.707 17645 8010 1 20 . 1 1 41 41 GLU H H 56 8.442 8.442 7.833 0.609 17645 8011 1 20 . 1 1 42 42 ILE N N 57 119.133 119.133 120.109 -0.976 17645 8012 1 20 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.724 0.159 17645 8013 1 20 . 1 1 42 42 ILE CA C 57 65.550 65.550 65.241 0.309 17645 8014 1 20 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.831 1.119 17645 8015 1 20 . 1 1 42 42 ILE H H 57 8.531 8.531 8.462 0.069 17645 8016 1 20 . 1 1 43 43 SER N N 58 118.622 118.622 116.022 2.600 17645 8017 1 20 . 1 1 43 43 SER HA H 58 4.322 4.322 4.103 0.219 17645 8018 1 20 . 1 1 43 43 SER CA C 58 62.940 62.940 62.692 0.248 17645 8019 1 20 . 1 1 43 43 SER CB C 58 63.500 63.500 62.828 0.673 17645 8020 1 20 . 1 1 43 43 SER H H 58 8.027 8.027 7.943 0.084 17645 8021 1 20 . 1 1 44 44 ILE N N 59 126.416 126.416 122.216 4.200 17645 8022 1 20 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.598 0.030 17645 8023 1 20 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.946 0.964 17645 8024 1 20 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.664 1.496 17645 8025 1 20 . 1 1 44 44 ILE H H 59 8.543 8.543 8.531 0.012 17645 8026 1 20 . 1 1 45 45 ASP N N 60 121.563 121.563 119.729 1.834 17645 8027 1 20 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.318 0.089 17645 8028 1 20 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.652 0.628 17645 8029 1 20 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.712 0.048 17645 8030 1 20 . 1 1 45 45 ASP H H 60 8.406 8.406 7.999 0.407 17645 8031 1 20 . 1 1 46 46 ALA N N 61 123.500 123.500 122.706 0.794 17645 8032 1 20 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.049 0.153 17645 8033 1 20 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.138 0.572 17645 8034 1 20 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.440 0.220 17645 8035 1 20 . 1 1 46 46 ALA H H 61 8.538 8.538 8.174 0.364 17645 8036 1 20 . 1 1 47 47 LEU N N 62 121.942 121.942 119.580 2.362 17645 8037 1 20 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.864 0.430 17645 8038 1 20 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.710 -0.050 17645 8039 1 20 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.825 -0.686 17645 8040 1 20 . 1 1 47 47 LEU H H 62 7.801 7.801 7.720 0.081 17645 8041 1 20 . 1 1 48 48 MET N N 63 118.068 118.068 118.910 -0.842 17645 8042 1 20 . 1 1 48 48 MET HA H 63 3.945 3.945 3.811 0.134 17645 8043 1 20 . 1 1 48 48 MET CA C 63 60.330 60.330 59.592 0.738 17645 8044 1 20 . 1 1 48 48 MET CB C 63 33.110 33.110 32.455 0.655 17645 8045 1 20 . 1 1 48 48 MET H H 63 8.261 8.261 7.804 0.457 17645 8046 1 20 . 1 1 49 49 ALA N N 64 120.428 120.428 118.725 1.703 17645 8047 1 20 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.035 0.066 17645 8048 1 20 . 1 1 49 49 ALA CA C 64 55.770 55.770 55.069 0.701 17645 8049 1 20 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.042 0.728 17645 8050 1 20 . 1 1 49 49 ALA H H 64 8.045 8.045 8.021 0.024 17645 8051 1 20 . 1 1 50 50 LYS N N 65 121.947 121.947 118.504 3.443 17645 8052 1 20 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.240 -0.201 17645 8053 1 20 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.809 1.711 17645 8054 1 20 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.739 0.941 17645 8055 1 20 . 1 1 50 50 LYS H H 65 8.063 8.063 7.792 0.271 17645 8056 1 20 . 1 1 51 51 ILE N N 66 121.189 121.189 118.329 2.860 17645 8057 1 20 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.904 -0.154 17645 8058 1 20 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.390 3.350 17645 8059 1 20 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.312 1.808 17645 8060 1 20 . 1 1 51 51 ILE H H 66 8.437 8.437 8.282 0.155 17645 8061 1 20 . 1 1 52 52 LYS N N 67 117.119 117.119 118.269 -1.150 17645 8062 1 20 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.255 -0.119 17645 8063 1 20 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.856 1.354 17645 8064 1 20 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.016 0.664 17645 8065 1 20 . 1 1 52 52 LYS H H 67 7.622 7.622 7.796 -0.174 17645 8066 1 20 . 1 1 53 53 SER N N 68 111.824 111.824 113.972 -2.148 17645 8067 1 20 . 1 1 53 53 SER HA H 68 4.602 4.602 4.543 0.059 17645 8068 1 20 . 1 1 53 53 SER CA C 68 59.960 59.960 58.430 1.530 17645 8069 1 20 . 1 1 53 53 SER CB C 68 65.750 65.750 63.053 2.697 17645 8070 1 20 . 1 1 53 53 SER H H 68 7.750 7.750 7.886 -0.136 17645 8071 1 20 . 1 1 54 54 THR N N 69 115.916 115.916 111.622 4.294 17645 8072 1 20 . 1 1 54 54 THR HA H 69 4.596 4.596 4.426 0.170 17645 8073 1 20 . 1 1 54 54 THR CA C 69 62.460 62.460 61.711 0.749 17645 8074 1 20 . 1 1 54 54 THR CB C 69 71.650 71.650 70.066 1.584 17645 8075 1 20 . 1 1 54 54 THR H H 69 7.972 7.972 7.050 0.922 17645 8076 1 20 . 1 1 55 55 MET N N 70 121.343 121.343 120.624 0.719 17645 8077 1 20 . 1 1 55 55 MET HA H 70 4.551 4.551 4.743 -0.192 17645 8078 1 20 . 1 1 55 55 MET CA C 70 56.050 56.050 53.786 2.264 17645 8079 1 20 . 1 1 55 55 MET CB C 70 32.500 32.500 33.015 -0.515 17645 8080 1 20 . 1 1 55 55 MET H H 70 8.306 8.306 8.346 -0.040 17645 8081 1 20 . 1 1 56 56 MET N N 71 123.196 123.196 120.057 3.139 17645 8082 1 20 . 1 1 56 56 MET HA H 71 4.706 4.706 4.339 0.367 17645 8083 1 20 . 1 1 56 56 MET CA C 71 55.860 55.860 56.617 -0.757 17645 8084 1 20 . 1 1 56 56 MET CB C 71 37.620 37.620 33.035 4.585 17645 8085 1 20 . 1 1 56 56 MET H H 71 8.114 8.114 7.638 0.476 17645 8086 1 20 . 1 1 57 57 THR N N 72 113.158 113.158 115.268 -2.110 17645 8087 1 20 . 1 1 57 57 THR HA H 72 4.483 4.483 4.503 -0.020 17645 8088 1 20 . 1 1 57 57 THR CA C 72 61.080 61.080 61.749 -0.669 17645 8089 1 20 . 1 1 57 57 THR CB C 72 71.670 71.670 70.323 1.347 17645 8090 1 20 . 1 1 57 57 THR H H 72 8.486 8.486 8.491 -0.005 17645 8091 1 20 . 1 1 58 58 ARG N N 73 121.911 121.911 124.585 -2.674 17645 8092 1 20 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.974 -0.065 17645 8093 1 20 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.865 0.655 17645 8094 1 20 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.781 0.549 17645 8095 1 20 . 1 1 58 58 ARG H H 73 8.961 8.961 8.922 0.039 17645 8096 1 20 . 1 1 59 59 GLU N N 74 118.955 118.955 119.394 -0.439 17645 8097 1 20 . 1 1 59 59 GLU HA H 74 4.032 4.032 3.988 0.044 17645 8098 1 20 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.689 0.201 17645 8099 1 20 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.950 1.010 17645 8100 1 20 . 1 1 59 59 GLU H H 74 8.833 8.833 8.858 -0.025 17645 8101 1 20 . 1 1 60 60 GLN N N 75 121.077 121.077 118.620 2.457 17645 8102 1 20 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.077 -0.087 17645 8103 1 20 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.779 0.621 17645 8104 1 20 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.604 0.786 17645 8105 1 20 . 1 1 60 60 GLN H H 75 7.801 7.801 7.588 0.213 17645 8106 1 20 . 1 1 61 61 ILE N N 76 120.016 120.016 119.337 0.679 17645 8107 1 20 . 1 1 61 61 ILE HA H 76 3.429 3.429 4.168 -0.739 17645 8108 1 20 . 1 1 61 61 ILE CA C 76 66.860 66.860 62.789 4.071 17645 8109 1 20 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.931 1.779 17645 8110 1 20 . 1 1 61 61 ILE H H 76 8.250 8.250 7.494 0.756 17645 8111 1 20 . 1 1 62 62 GLN N N 77 119.153 119.153 120.572 -1.419 17645 8112 1 20 . 1 1 62 62 GLN HA H 77 3.767 3.767 3.979 -0.212 17645 8113 1 20 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.669 0.101 17645 8114 1 20 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.448 0.632 17645 8115 1 20 . 1 1 62 62 GLN H H 77 8.295 8.295 8.192 0.103 17645 8116 1 20 . 1 1 63 63 LYS N N 78 118.200 118.200 120.069 -1.869 17645 8117 1 20 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.047 0.107 17645 8118 1 20 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.365 0.784 17645 8119 1 20 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.272 1.038 17645 8120 1 20 . 1 1 63 63 LYS H H 78 7.839 7.839 7.821 0.018 17645 8121 1 20 . 1 1 64 64 GLU N N 79 120.133 120.133 119.433 0.700 17645 8122 1 20 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.972 0.170 17645 8123 1 20 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.609 0.721 17645 8124 1 20 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.631 0.979 17645 8125 1 20 . 1 1 64 64 GLU H H 79 7.899 7.899 8.023 -0.123 17645 8126 1 20 . 1 1 65 65 TYR N N 80 122.505 122.505 119.954 2.551 17645 8127 1 20 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.201 -0.259 17645 8128 1 20 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.571 1.189 17645 8129 1 20 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.453 1.017 17645 8130 1 20 . 1 1 65 65 TYR H H 80 9.023 9.023 8.223 0.800 17645 8131 1 20 . 1 1 66 66 ASP N N 81 120.497 120.497 119.974 0.523 17645 8132 1 20 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.438 -0.221 17645 8133 1 20 . 1 1 66 66 ASP CA C 81 58.100 58.100 58.145 -0.045 17645 8134 1 20 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.447 0.193 17645 8135 1 20 . 1 1 66 66 ASP H H 81 9.089 9.089 7.842 1.247 17645 8136 1 20 . 1 1 67 67 ALA N N 82 122.397 122.397 122.533 -0.136 17645 8137 1 20 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.111 0.076 17645 8138 1 20 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.124 0.706 17645 8139 1 20 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.465 0.455 17645 8140 1 20 . 1 1 67 67 ALA H H 82 7.636 7.636 8.238 -0.602 17645 8141 1 20 . 1 1 68 68 LEU N N 83 121.806 121.806 118.374 3.432 17645 8142 1 20 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.035 0.111 17645 8143 1 20 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.864 0.416 17645 8144 1 20 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.929 0.931 17645 8145 1 20 . 1 1 68 68 LEU H H 83 7.727 7.727 7.701 0.026 17645 8146 1 20 . 1 1 69 69 VAL N N 84 123.560 123.560 120.707 2.853 17645 8147 1 20 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.672 -0.367 17645 8148 1 20 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.174 1.865 17645 8149 1 20 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.245 0.944 17645 8150 1 20 . 1 1 69 69 VAL H H 84 8.560 8.560 7.923 0.637 17645 8151 1 20 . 1 1 70 70 LYS N N 85 121.398 121.398 120.464 0.934 17645 8152 1 20 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.003 0.089 17645 8153 1 20 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.713 0.537 17645 8154 1 20 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.154 0.606 17645 8155 1 20 . 1 1 70 70 LYS H H 85 7.956 7.956 8.226 -0.270 17645 8156 1 20 . 1 1 71 71 SER N N 86 114.825 114.825 114.282 0.543 17645 8157 1 20 . 1 1 71 71 SER HA H 86 4.298 4.298 4.185 0.113 17645 8158 1 20 . 1 1 71 71 SER CA C 86 62.810 62.810 61.596 1.214 17645 8159 1 20 . 1 1 71 71 SER CB C 86 63.640 63.640 62.876 0.764 17645 8160 1 20 . 1 1 71 71 SER H H 86 8.284 8.284 7.802 0.482 17645 8161 1 20 . 1 1 72 72 SER N N 87 118.845 118.845 117.015 1.830 17645 8162 1 20 . 1 1 72 72 SER HA H 87 4.269 4.269 4.031 0.238 17645 8163 1 20 . 1 1 72 72 SER CA C 87 62.940 62.940 61.943 0.997 17645 8164 1 20 . 1 1 72 72 SER CB C 87 63.870 63.870 62.642 1.228 17645 8165 1 20 . 1 1 72 72 SER H H 87 8.421 8.421 8.247 0.174 17645 8166 1 20 . 1 1 73 73 GLU N N 88 124.809 124.809 122.423 2.386 17645 8167 1 20 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.935 0.117 17645 8168 1 20 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.597 0.633 17645 8169 1 20 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.382 0.848 17645 8170 1 20 . 1 1 73 73 GLU H H 88 8.376 8.376 7.890 0.486 17645 8171 1 20 . 1 1 74 74 ASP N N 89 122.193 122.193 118.959 3.234 17645 8172 1 20 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.440 -0.029 17645 8173 1 20 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.338 0.572 17645 8174 1 20 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.647 -0.066 17645 8175 1 20 . 1 1 74 74 ASP H H 89 8.734 8.734 7.825 0.909 17645 8176 1 20 . 1 1 75 75 LEU N N 90 123.280 123.280 122.001 1.279 17645 8177 1 20 . 1 1 75 75 LEU HA H 90 4.290 4.290 4.023 0.267 17645 8178 1 20 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.504 1.056 17645 8179 1 20 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.953 0.077 17645 8180 1 20 . 1 1 75 75 LEU H H 90 7.986 7.986 7.119 0.867 17645 8181 1 20 . 1 1 76 76 LEU N N 91 120.488 120.488 117.531 2.957 17645 8182 1 20 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.704 0.134 17645 8183 1 20 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.161 1.038 17645 8184 1 20 . 1 1 76 76 LEU CB C 91 41.510 41.510 41.028 0.482 17645 8185 1 20 . 1 1 76 76 LEU H H 91 8.280 8.280 8.151 0.129 17645 8186 1 20 . 1 1 77 77 SER N N 92 113.817 113.817 114.822 -1.005 17645 8187 1 20 . 1 1 77 77 SER HA H 92 4.235 4.235 4.256 -0.021 17645 8188 1 20 . 1 1 77 77 SER CA C 92 62.200 62.200 60.989 1.211 17645 8189 1 20 . 1 1 77 77 SER CB C 92 63.440 63.440 62.999 0.441 17645 8190 1 20 . 1 1 77 77 SER H H 92 8.219 8.219 7.944 0.275 17645 8191 1 20 . 1 1 78 78 ALA N N 93 124.902 124.902 125.006 -0.104 17645 8192 1 20 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.063 0.103 17645 8193 1 20 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.683 1.177 17645 8194 1 20 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.279 0.481 17645 8195 1 20 . 1 1 78 78 ALA H H 93 7.949 7.949 7.768 0.181 17645 8196 1 20 . 1 1 79 79 LEU N N 94 120.602 120.602 120.048 0.554 17645 8197 1 20 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.827 0.240 17645 8198 1 20 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.926 -0.456 17645 8199 1 20 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.888 0.722 17645 8200 1 20 . 1 1 79 79 LEU H H 94 8.587 8.587 7.891 0.696 17645 8201 1 20 . 1 1 80 80 GLN N N 95 119.525 119.525 117.781 1.744 17645 8202 1 20 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.907 0.141 17645 8203 1 20 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.502 0.088 17645 8204 1 20 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.291 0.549 17645 8205 1 20 . 1 1 80 80 GLN H H 95 8.561 8.561 8.209 0.352 17645 8206 1 20 . 1 1 81 81 LYS N N 96 121.075 121.075 118.323 2.752 17645 8207 1 20 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.198 -0.061 17645 8208 1 20 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.332 0.718 17645 8209 1 20 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.161 0.779 17645 8210 1 20 . 1 1 81 81 LYS H H 96 8.003 8.003 7.800 0.203 17645 8211 1 20 . 1 1 82 82 LYS N N 97 121.415 121.415 119.611 1.804 17645 8212 1 20 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.055 0.070 17645 8213 1 20 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.681 0.289 17645 8214 1 20 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.351 0.769 17645 8215 1 20 . 1 1 82 82 LYS H H 97 7.903 7.903 7.839 0.064 17645 8216 1 20 . 1 1 83 83 LYS N N 98 121.081 121.081 118.735 2.346 17645 8217 1 20 . 1 1 83 83 LYS HA H 98 3.982 3.982 3.962 0.020 17645 8218 1 20 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.296 0.714 17645 8219 1 20 . 1 1 83 83 LYS CB C 98 33.120 33.120 31.829 1.291 17645 8220 1 20 . 1 1 83 83 LYS H H 98 8.202 8.202 8.001 0.201 17645 8221 1 20 . 1 1 84 84 GLN N N 99 119.576 119.576 118.171 1.405 17645 8222 1 20 . 1 1 84 84 GLN HA H 99 4.124 4.124 3.970 0.154 17645 8223 1 20 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.388 1.422 17645 8224 1 20 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.127 0.833 17645 8225 1 20 . 1 1 84 84 GLN H H 99 8.125 8.125 8.287 -0.162 17645 8226 1 20 . 1 1 85 85 GLN N N 100 120.009 120.009 118.661 1.348 17645 8227 1 20 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.102 0.019 17645 8228 1 20 . 1 1 85 85 GLN CA C 100 59.590 59.590 58.095 1.495 17645 8229 1 20 . 1 1 85 85 GLN CB C 100 29.020 29.020 28.763 0.257 17645 8230 1 20 . 1 1 85 85 GLN H H 100 8.341 8.341 7.601 0.740 17645 8231 1 20 . 1 1 86 86 GLU N N 101 121.718 121.718 118.386 3.332 17645 8232 1 20 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.147 -0.012 17645 8233 1 20 . 1 1 86 86 GLU CA C 101 60.430 60.430 58.337 2.093 17645 8234 1 20 . 1 1 86 86 GLU CB C 101 30.140 30.140 30.199 -0.059 17645 8235 1 20 . 1 1 86 86 GLU H H 101 8.275 8.275 8.253 0.022 17645 8236 1 20 . 1 1 87 87 GLU N N 102 121.412 121.412 118.653 2.759 17645 8237 1 20 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.458 -0.342 17645 8238 1 20 . 1 1 87 87 GLU CA C 102 59.960 59.960 55.786 4.174 17645 8239 1 20 . 1 1 87 87 GLU CB C 102 30.290 30.290 31.186 -0.896 17645 8240 1 20 . 1 1 87 87 GLU H H 102 8.330 8.330 7.867 0.463 17645 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 81 2.283 -0.904 2.110 17645 2 1 1 "Average Difference" HA 90 0.204 -0.060 0.196 17645 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17645 4 1 1 "Average Difference" CA 86 1.178 -0.754 0.911 17645 5 1 1 "Average Difference" CB 82 1.180 -0.848 0.825 17645 6 1 1 "Average Difference" HN 81 0.411 -0.155 0.383 17645 7 1 2 "Average Difference" N 81 2.001 -0.744 1.870 17645 8 1 2 "Average Difference" HA 90 0.182 -0.053 0.175 17645 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17645 10 1 2 "Average Difference" CA 86 1.138 -0.726 0.881 17645 11 1 2 "Average Difference" CB 82 1.116 -0.845 0.733 17645 12 1 2 "Average Difference" HN 81 0.403 -0.128 0.385 17645 13 1 3 "Average Difference" N 81 2.300 -0.850 2.150 17645 14 1 3 "Average Difference" HA 90 0.206 -0.063 0.197 17645 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17645 16 1 3 "Average Difference" CA 86 1.171 -0.746 0.908 17645 17 1 3 "Average Difference" CB 82 1.199 -0.876 0.824 17645 18 1 3 "Average Difference" HN 81 0.407 -0.189 0.363 17645 19 1 4 "Average Difference" N 81 2.160 -0.892 1.980 17645 20 1 4 "Average Difference" HA 90 0.183 -0.052 0.176 17645 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17645 22 1 4 "Average Difference" CA 86 1.213 -0.768 0.945 17645 23 1 4 "Average Difference" CB 82 1.214 -0.889 0.831 17645 24 1 4 "Average Difference" HN 81 0.410 -0.143 0.387 17645 25 1 5 "Average Difference" N 81 2.161 -0.704 2.055 17645 26 1 5 "Average Difference" HA 90 0.182 -0.053 0.175 17645 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17645 28 1 5 "Average Difference" CA 86 1.171 -0.719 0.929 17645 29 1 5 "Average Difference" CB 82 1.117 -0.872 0.703 17645 30 1 5 "Average Difference" HN 81 0.432 -0.101 0.423 17645 31 1 6 "Average Difference" N 81 2.142 -0.828 1.988 17645 32 1 6 "Average Difference" HA 90 0.193 -0.064 0.183 17645 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17645 34 1 6 "Average Difference" CA 86 1.228 -0.802 0.935 17645 35 1 6 "Average Difference" CB 82 1.173 -0.891 0.768 17645 36 1 6 "Average Difference" HN 81 0.397 -0.132 0.376 17645 37 1 7 "Average Difference" N 81 2.261 -0.744 2.148 17645 38 1 7 "Average Difference" HA 90 0.195 -0.058 0.187 17645 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17645 40 1 7 "Average Difference" CA 86 1.077 -0.698 0.825 17645 41 1 7 "Average Difference" CB 82 1.160 -0.858 0.786 17645 42 1 7 "Average Difference" HN 81 0.437 -0.139 0.417 17645 43 1 8 "Average Difference" N 81 2.156 -0.602 2.083 17645 44 1 8 "Average Difference" HA 90 0.208 -0.056 0.202 17645 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17645 46 1 8 "Average Difference" CA 86 1.182 -0.736 0.931 17645 47 1 8 "Average Difference" CB 82 1.138 -0.856 0.755 17645 48 1 8 "Average Difference" HN 81 0.420 -0.140 0.398 17645 49 1 9 "Average Difference" N 81 1.983 -0.747 1.848 17645 50 1 9 "Average Difference" HA 90 0.196 -0.060 0.187 17645 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17645 52 1 9 "Average Difference" CA 86 1.161 -0.751 0.890 17645 53 1 9 "Average Difference" CB 82 1.216 -0.870 0.855 17645 54 1 9 "Average Difference" HN 81 0.423 -0.111 0.411 17645 55 1 10 "Average Difference" N 81 2.213 -0.656 2.126 17645 56 1 10 "Average Difference" HA 90 0.191 -0.049 0.185 17645 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17645 58 1 10 "Average Difference" CA 86 1.213 -0.779 0.935 17645 59 1 10 "Average Difference" CB 82 1.227 -0.908 0.831 17645 60 1 10 "Average Difference" HN 81 0.392 -0.122 0.375 17645 61 1 11 "Average Difference" N 81 2.193 -0.820 2.046 17645 62 1 11 "Average Difference" HA 90 0.187 -0.071 0.174 17645 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17645 64 1 11 "Average Difference" CA 86 1.162 -0.733 0.907 17645 65 1 11 "Average Difference" CB 82 1.220 -0.913 0.814 17645 66 1 11 "Average Difference" HN 81 0.416 -0.138 0.395 17645 67 1 12 "Average Difference" N 81 2.070 -0.767 1.935 17645 68 1 12 "Average Difference" HA 90 0.201 -0.061 0.193 17645 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17645 70 1 12 "Average Difference" CA 86 1.211 -0.792 0.922 17645 71 1 12 "Average Difference" CB 82 1.193 -0.872 0.819 17645 72 1 12 "Average Difference" HN 81 0.400 -0.137 0.378 17645 73 1 13 "Average Difference" N 81 2.266 -0.853 2.113 17645 74 1 13 "Average Difference" HA 90 0.196 -0.062 0.187 17645 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17645 76 1 13 "Average Difference" CA 86 1.157 -0.728 0.905 17645 77 1 13 "Average Difference" CB 82 1.127 -0.846 0.749 17645 78 1 13 "Average Difference" HN 81 0.411 -0.148 0.386 17645 79 1 14 "Average Difference" N 81 2.120 -0.760 1.992 17645 80 1 14 "Average Difference" HA 90 0.194 -0.053 0.187 17645 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17645 82 1 14 "Average Difference" CA 86 1.251 -0.711 1.035 17645 83 1 14 "Average Difference" CB 82 1.163 -0.772 0.874 17645 84 1 14 "Average Difference" HN 81 0.398 -0.134 0.377 17645 85 1 15 "Average Difference" N 81 2.033 -0.850 1.858 17645 86 1 15 "Average Difference" HA 90 0.188 -0.049 0.183 17645 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17645 88 1 15 "Average Difference" CA 86 1.101 -0.720 0.837 17645 89 1 15 "Average Difference" CB 82 1.116 -0.827 0.754 17645 90 1 15 "Average Difference" HN 81 0.420 -0.160 0.390 17645 91 1 16 "Average Difference" N 81 2.173 -0.872 2.002 17645 92 1 16 "Average Difference" HA 90 0.215 -0.028 0.214 17645 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17645 94 1 16 "Average Difference" CA 86 1.260 -0.754 1.015 17645 95 1 16 "Average Difference" CB 82 1.193 -0.824 0.869 17645 96 1 16 "Average Difference" HN 81 0.400 -0.124 0.383 17645 97 1 17 "Average Difference" N 81 2.349 -0.875 2.193 17645 98 1 17 "Average Difference" HA 90 0.200 -0.080 0.184 17645 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17645 100 1 17 "Average Difference" CA 86 1.139 -0.707 0.898 17645 101 1 17 "Average Difference" CB 82 1.155 -0.868 0.766 17645 102 1 17 "Average Difference" HN 81 0.391 -0.106 0.379 17645 103 1 18 "Average Difference" N 81 2.245 -0.968 2.038 17645 104 1 18 "Average Difference" HA 90 0.188 -0.043 0.184 17645 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17645 106 1 18 "Average Difference" CA 86 1.263 -0.765 1.011 17645 107 1 18 "Average Difference" CB 82 1.127 -0.837 0.759 17645 108 1 18 "Average Difference" HN 81 0.414 -0.157 0.385 17645 109 1 19 "Average Difference" N 81 2.271 -0.721 2.167 17645 110 1 19 "Average Difference" HA 90 0.191 -0.049 0.186 17645 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17645 112 1 19 "Average Difference" CA 86 1.251 -0.781 0.983 17645 113 1 19 "Average Difference" CB 82 1.150 -0.880 0.744 17645 114 1 19 "Average Difference" HN 81 0.381 -0.113 0.366 17645 115 1 20 "Average Difference" N 81 2.092 -0.883 1.909 17645 116 1 20 "Average Difference" HA 90 0.211 -0.059 0.204 17645 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17645 118 1 20 "Average Difference" CA 86 1.132 -0.614 0.956 17645 119 1 20 "Average Difference" CB 82 1.093 -0.813 0.735 17645 120 1 20 "Average Difference" HN 81 0.400 -0.143 0.376 17645 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 17645 _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 GLY N N 17 110.356 110.356 110.733 -0.377 17645 2 1 . 1 1 2 2 GLY CA C 17 45.610 45.610 44.829 0.781 17645 3 1 . 1 1 2 2 GLY H H 17 8.065 8.065 8.305 -0.240 17645 4 1 . 1 1 3 3 PRO HA H 18 4.393 4.393 4.451 -0.058 17645 5 1 . 1 1 3 3 PRO CA C 18 64.670 64.670 63.053 1.617 17645 6 1 . 1 1 3 3 PRO CB C 18 32.700 32.700 31.973 0.727 17645 7 1 . 1 1 4 4 GLY CA C 19 46.730 46.730 45.466 1.264 17645 8 1 . 1 1 5 5 SER HA H 20 4.192 4.192 4.450 -0.258 17645 9 1 . 1 1 5 5 SER CA C 20 60.960 60.960 59.534 1.426 17645 10 1 . 1 1 5 5 SER CB C 20 64.250 64.250 63.435 0.815 17645 11 1 . 1 1 6 6 LEU N N 21 122.731 122.731 122.956 -0.225 17645 12 1 . 1 1 6 6 LEU HA H 21 4.120 4.120 4.029 0.091 17645 13 1 . 1 1 6 6 LEU CA C 21 57.720 57.720 58.039 -0.319 17645 14 1 . 1 1 6 6 LEU CB C 21 42.970 42.970 41.667 1.303 17645 15 1 . 1 1 6 6 LEU H H 21 8.052 8.052 8.044 0.008 17645 16 1 . 1 1 7 7 VAL N N 22 119.948 119.948 118.746 1.202 17645 17 1 . 1 1 7 7 VAL HA H 22 3.753 3.753 3.611 0.142 17645 18 1 . 1 1 7 7 VAL CA C 22 65.350 65.350 66.425 -1.075 17645 19 1 . 1 1 7 7 VAL CB C 22 32.600 32.600 31.496 1.104 17645 20 1 . 1 1 7 7 VAL H H 22 7.676 7.676 8.005 -0.329 17645 21 1 . 1 1 8 8 LYS N N 23 122.400 122.400 119.334 3.066 17645 22 1 . 1 1 8 8 LYS HA H 23 4.187 4.187 4.050 0.137 17645 23 1 . 1 1 8 8 LYS CA C 23 58.830 58.830 59.411 -0.581 17645 24 1 . 1 1 8 8 LYS CB C 23 32.560 32.560 32.128 0.432 17645 25 1 . 1 1 8 8 LYS H H 23 7.830 7.830 7.643 0.187 17645 26 1 . 1 1 9 9 VAL N N 24 121.205 121.205 118.770 2.435 17645 27 1 . 1 1 9 9 VAL HA H 24 3.826 3.826 3.731 0.095 17645 28 1 . 1 1 9 9 VAL CA C 24 66.860 66.860 66.627 0.233 17645 29 1 . 1 1 9 9 VAL CB C 24 32.450 32.450 31.219 1.231 17645 30 1 . 1 1 9 9 VAL H H 24 8.194 8.194 7.797 0.397 17645 31 1 . 1 1 10 10 GLY N N 25 107.900 107.900 106.686 1.214 17645 32 1 . 1 1 10 10 GLY CA C 25 47.660 47.660 47.534 0.126 17645 33 1 . 1 1 10 10 GLY H H 25 8.446 8.446 8.391 0.055 17645 34 1 . 1 1 11 11 THR N N 26 116.800 116.800 119.317 -2.517 17645 35 1 . 1 1 11 11 THR HA H 26 4.109 4.109 3.907 0.202 17645 36 1 . 1 1 11 11 THR CA C 26 66.300 66.300 66.482 -0.182 17645 37 1 . 1 1 11 11 THR CB C 26 69.690 69.690 68.467 1.223 17645 38 1 . 1 1 11 11 THR H H 26 7.992 7.992 7.891 0.101 17645 39 1 . 1 1 12 12 LEU N N 27 123.983 123.983 122.709 1.274 17645 40 1 . 1 1 12 12 LEU HA H 27 4.127 4.127 3.984 0.143 17645 41 1 . 1 1 12 12 LEU CA C 27 58.470 58.470 57.919 0.551 17645 42 1 . 1 1 12 12 LEU CB C 27 42.810 42.810 41.589 1.221 17645 43 1 . 1 1 12 12 LEU H H 27 7.934 7.934 7.952 -0.018 17645 44 1 . 1 1 13 13 LYS N N 28 117.513 117.513 119.025 -1.512 17645 45 1 . 1 1 13 13 LYS HA H 28 3.903 3.903 3.820 0.083 17645 46 1 . 1 1 13 13 LYS CA C 28 60.150 60.150 59.897 0.252 17645 47 1 . 1 1 13 13 LYS CB C 28 32.730 32.730 32.065 0.665 17645 48 1 . 1 1 13 13 LYS H H 28 7.824 7.824 7.792 0.032 17645 49 1 . 1 1 14 14 LYS N N 29 119.275 119.275 118.763 0.512 17645 50 1 . 1 1 14 14 LYS HA H 29 4.151 4.151 3.985 0.166 17645 51 1 . 1 1 14 14 LYS CA C 29 59.460 59.460 59.424 0.036 17645 52 1 . 1 1 14 14 LYS CB C 29 32.750 32.750 32.128 0.622 17645 53 1 . 1 1 14 14 LYS H H 29 7.685 7.685 7.669 0.016 17645 54 1 . 1 1 15 15 ARG N N 30 119.090 119.090 120.015 -0.925 17645 55 1 . 1 1 15 15 ARG HA H 30 4.060 4.060 3.782 0.278 17645 56 1 . 1 1 15 15 ARG CA C 30 59.030 59.030 58.658 0.372 17645 57 1 . 1 1 15 15 ARG CB C 30 30.510 30.510 29.585 0.925 17645 58 1 . 1 1 15 15 ARG H H 30 7.709 7.709 7.436 0.273 17645 59 1 . 1 1 16 16 LEU N N 31 118.473 118.473 120.726 -2.253 17645 60 1 . 1 1 16 16 LEU HA H 31 3.977 3.977 3.946 0.031 17645 61 1 . 1 1 16 16 LEU CA C 31 58.080 58.080 58.458 -0.378 17645 62 1 . 1 1 16 16 LEU CB C 31 41.320 41.320 41.625 -0.305 17645 63 1 . 1 1 16 16 LEU H H 31 7.595 7.595 8.107 -0.512 17645 64 1 . 1 1 17 17 ASP N N 32 120.020 120.020 118.823 1.197 17645 65 1 . 1 1 17 17 ASP HA H 32 4.439 4.439 4.255 0.184 17645 66 1 . 1 1 17 17 ASP CA C 32 57.980 57.980 57.731 0.249 17645 67 1 . 1 1 17 17 ASP CB C 32 40.880 40.880 40.574 0.306 17645 68 1 . 1 1 17 17 ASP H H 32 7.858 7.858 7.769 0.088 17645 69 1 . 1 1 18 18 LYS N N 33 119.708 119.708 120.460 -0.752 17645 70 1 . 1 1 18 18 LYS HA H 33 4.198 4.198 4.010 0.188 17645 71 1 . 1 1 18 18 LYS CA C 33 58.470 58.470 58.614 -0.144 17645 72 1 . 1 1 18 18 LYS CB C 33 32.190 32.190 31.670 0.520 17645 73 1 . 1 1 18 18 LYS H H 33 7.564 7.564 7.476 0.088 17645 74 1 . 1 1 19 19 PHE N N 34 118.256 118.256 117.806 0.450 17645 75 1 . 1 1 19 19 PHE HA H 34 4.251 4.251 4.206 0.045 17645 76 1 . 1 1 19 19 PHE CA C 34 60.710 60.710 60.082 0.628 17645 77 1 . 1 1 19 19 PHE CB C 34 38.750 38.750 37.732 1.018 17645 78 1 . 1 1 19 19 PHE H H 34 7.884 7.884 7.448 0.436 17645 79 1 . 1 1 20 20 ASN N N 35 117.779 117.779 118.020 -0.241 17645 80 1 . 1 1 20 20 ASN HA H 35 4.460 4.460 4.411 0.049 17645 81 1 . 1 1 20 20 ASN CA C 35 57.350 57.350 56.843 0.507 17645 82 1 . 1 1 20 20 ASN CB C 35 39.000 39.000 38.088 0.912 17645 83 1 . 1 1 20 20 ASN H H 35 8.054 8.054 8.097 -0.043 17645 84 1 . 1 1 21 21 GLU N N 36 120.312 120.312 120.741 -0.429 17645 85 1 . 1 1 21 21 GLU HA H 36 4.106 4.106 4.050 0.056 17645 86 1 . 1 1 21 21 GLU CA C 36 59.770 59.770 59.646 0.124 17645 87 1 . 1 1 21 21 GLU CB C 36 30.510 30.510 29.682 0.828 17645 88 1 . 1 1 21 21 GLU H H 36 7.983 7.983 7.778 0.205 17645 89 1 . 1 1 22 22 VAL N N 37 119.756 119.756 119.389 0.367 17645 90 1 . 1 1 22 22 VAL HA H 37 3.842 3.842 3.726 0.116 17645 91 1 . 1 1 22 22 VAL CA C 37 66.110 66.110 66.289 -0.179 17645 92 1 . 1 1 22 22 VAL CB C 37 32.680 32.680 31.521 1.159 17645 93 1 . 1 1 22 22 VAL H H 37 7.670 7.670 7.802 -0.132 17645 94 1 . 1 1 23 23 VAL N N 38 118.300 118.300 119.154 -0.854 17645 95 1 . 1 1 23 23 VAL HA H 38 3.677 3.677 3.687 -0.010 17645 96 1 . 1 1 23 23 VAL CA C 38 66.550 66.550 65.905 0.645 17645 97 1 . 1 1 23 23 VAL CB C 38 32.480 32.480 31.043 1.437 17645 98 1 . 1 1 23 23 VAL H H 38 8.159 8.159 8.351 -0.192 17645 99 1 . 1 1 24 24 SER N N 39 113.952 113.952 116.255 -2.303 17645 100 1 . 1 1 24 24 SER HA H 39 4.170 4.170 4.174 -0.004 17645 101 1 . 1 1 24 24 SER CA C 39 61.880 61.880 61.477 0.403 17645 102 1 . 1 1 24 24 SER CB C 39 63.740 63.740 63.042 0.698 17645 103 1 . 1 1 24 24 SER H H 39 7.773 7.773 8.379 -0.606 17645 104 1 . 1 1 25 25 ALA N N 40 122.572 122.572 122.670 -0.098 17645 105 1 . 1 1 25 25 ALA HA H 40 4.425 4.425 4.220 0.205 17645 106 1 . 1 1 25 25 ALA CA C 40 52.880 52.880 54.154 -1.274 17645 107 1 . 1 1 25 25 ALA CB C 40 20.450 20.450 18.864 1.586 17645 108 1 . 1 1 25 25 ALA H H 40 7.436 7.436 7.705 -0.269 17645 109 1 . 1 1 26 26 LEU N N 41 120.677 120.677 115.924 4.753 17645 110 1 . 1 1 26 26 LEU HA H 41 4.381 4.381 4.312 0.069 17645 111 1 . 1 1 26 26 LEU CA C 41 55.860 55.860 55.443 0.417 17645 112 1 . 1 1 26 26 LEU CB C 41 43.190 43.190 42.394 0.796 17645 113 1 . 1 1 26 26 LEU H H 41 7.499 7.499 7.444 0.055 17645 114 1 . 1 1 27 27 LYS HA H 42 4.285 4.285 3.973 0.311 17645 115 1 . 1 1 27 27 LYS CA C 42 58.250 58.250 57.866 0.384 17645 116 1 . 1 1 27 27 LYS CB C 42 33.870 33.870 31.264 2.606 17645 117 1 . 1 1 28 28 ASP N N 43 120.989 120.989 118.437 2.552 17645 118 1 . 1 1 28 28 ASP HA H 43 4.801 4.801 4.614 0.187 17645 119 1 . 1 1 28 28 ASP CA C 43 54.560 54.560 54.189 0.371 17645 120 1 . 1 1 28 28 ASP CB C 43 43.440 43.440 41.902 1.538 17645 121 1 . 1 1 28 28 ASP H H 43 8.513 8.513 8.020 0.493 17645 122 1 . 1 1 29 29 GLY N N 44 108.379 108.379 111.308 -2.929 17645 123 1 . 1 1 29 29 GLY CA C 44 46.540 46.540 45.635 0.905 17645 124 1 . 1 1 29 29 GLY H H 44 8.425 8.425 8.536 -0.111 17645 125 1 . 1 1 30 30 LYS N N 45 119.932 119.932 120.239 -0.307 17645 126 1 . 1 1 30 30 LYS HA H 45 4.079 4.079 4.206 -0.127 17645 127 1 . 1 1 30 30 LYS CA C 45 60.520 60.520 59.686 0.834 17645 128 1 . 1 1 30 30 LYS CB C 45 31.070 31.070 30.505 0.565 17645 129 1 . 1 1 30 30 LYS H H 45 8.269 8.269 8.427 -0.158 17645 130 1 . 1 1 31 31 PRO HA H 46 4.308 4.308 4.304 0.004 17645 131 1 . 1 1 31 31 PRO CA C 46 67.040 67.040 66.041 0.999 17645 132 1 . 1 1 31 31 PRO CB C 46 31.820 31.820 31.186 0.634 17645 133 1 . 1 1 32 32 GLU N N 47 118.526 118.526 117.972 0.554 17645 134 1 . 1 1 32 32 GLU HA H 47 4.133 4.133 4.064 0.069 17645 135 1 . 1 1 32 32 GLU CA C 47 60.170 60.170 59.429 0.741 17645 136 1 . 1 1 32 32 GLU CB C 47 29.910 29.910 28.996 0.914 17645 137 1 . 1 1 32 32 GLU H H 47 8.189 8.189 8.569 -0.380 17645 138 1 . 1 1 33 33 VAL N N 48 120.183 120.183 120.558 -0.375 17645 139 1 . 1 1 33 33 VAL HA H 48 3.912 3.912 3.631 0.281 17645 140 1 . 1 1 33 33 VAL CA C 48 66.300 66.300 66.239 0.061 17645 141 1 . 1 1 33 33 VAL CB C 48 32.360 32.360 31.479 0.881 17645 142 1 . 1 1 33 33 VAL H H 48 7.744 7.744 7.859 -0.115 17645 143 1 . 1 1 34 34 ASN N N 49 119.700 119.700 117.865 1.835 17645 144 1 . 1 1 34 34 ASN HA H 49 4.450 4.450 4.428 0.022 17645 145 1 . 1 1 34 34 ASN CA C 49 57.050 57.050 56.214 0.836 17645 146 1 . 1 1 34 34 ASN CB C 49 38.650 38.650 37.950 0.700 17645 147 1 . 1 1 34 34 ASN H H 49 8.582 8.582 8.673 -0.091 17645 148 1 . 1 1 35 35 ARG N N 50 121.009 121.009 120.555 0.454 17645 149 1 . 1 1 35 35 ARG HA H 50 4.137 4.137 4.064 0.073 17645 150 1 . 1 1 35 35 ARG CA C 50 59.770 59.770 59.379 0.391 17645 151 1 . 1 1 35 35 ARG CB C 50 30.770 30.770 30.022 0.748 17645 152 1 . 1 1 35 35 ARG H H 50 7.848 7.848 8.006 -0.158 17645 153 1 . 1 1 36 36 GLN N N 51 119.394 119.394 119.283 0.111 17645 154 1 . 1 1 36 36 GLN HA H 51 4.063 4.063 4.114 -0.051 17645 155 1 . 1 1 36 36 GLN CA C 51 60.010 60.010 58.961 1.049 17645 156 1 . 1 1 36 36 GLN CB C 51 29.770 29.770 28.949 0.821 17645 157 1 . 1 1 36 36 GLN H H 51 7.685 7.685 7.723 -0.038 17645 158 1 . 1 1 37 37 ILE N N 52 122.006 122.006 119.725 2.281 17645 159 1 . 1 1 37 37 ILE HA H 52 3.454 3.454 3.691 -0.237 17645 160 1 . 1 1 37 37 ILE CA C 52 66.300 66.300 65.403 0.897 17645 161 1 . 1 1 37 37 ILE CB C 52 38.900 38.900 37.470 1.430 17645 162 1 . 1 1 37 37 ILE H H 52 8.293 8.293 8.850 -0.557 17645 163 1 . 1 1 38 38 LYS N N 53 121.163 121.163 120.705 0.458 17645 164 1 . 1 1 38 38 LYS HA H 53 4.171 4.171 3.987 0.184 17645 165 1 . 1 1 38 38 LYS CA C 53 59.050 59.050 59.756 -0.706 17645 166 1 . 1 1 38 38 LYS CB C 53 31.930 31.930 32.172 -0.242 17645 167 1 . 1 1 38 38 LYS H H 53 8.169 8.169 7.930 0.239 17645 168 1 . 1 1 39 39 ASN N N 54 117.219 117.219 118.293 -1.074 17645 169 1 . 1 1 39 39 ASN HA H 54 4.483 4.483 4.436 0.047 17645 170 1 . 1 1 39 39 ASN CA C 54 56.610 56.610 55.950 0.660 17645 171 1 . 1 1 39 39 ASN CB C 54 38.440 38.440 37.883 0.557 17645 172 1 . 1 1 39 39 ASN H H 54 8.171 8.171 7.883 0.288 17645 173 1 . 1 1 40 40 LEU N N 55 123.907 123.907 120.772 3.135 17645 174 1 . 1 1 40 40 LEU HA H 55 4.205 4.205 4.077 0.128 17645 175 1 . 1 1 40 40 LEU CA C 55 58.840 58.840 58.210 0.630 17645 176 1 . 1 1 40 40 LEU CB C 55 42.070 42.070 41.535 0.535 17645 177 1 . 1 1 40 40 LEU H H 55 7.702 7.702 7.967 -0.265 17645 178 1 . 1 1 41 41 GLU N N 56 121.779 121.779 119.943 1.836 17645 179 1 . 1 1 41 41 GLU HA H 56 3.702 3.702 3.990 -0.288 17645 180 1 . 1 1 41 41 GLU CA C 56 61.450 61.450 59.665 1.785 17645 181 1 . 1 1 41 41 GLU CB C 56 30.330 30.330 29.448 0.882 17645 182 1 . 1 1 41 41 GLU H H 56 8.442 8.442 7.997 0.445 17645 183 1 . 1 1 42 42 ILE N N 57 119.133 119.133 119.933 -0.800 17645 184 1 . 1 1 42 42 ILE HA H 57 3.883 3.883 3.741 0.142 17645 185 1 . 1 1 42 42 ILE CA C 57 65.550 65.550 64.954 0.596 17645 186 1 . 1 1 42 42 ILE CB C 57 38.950 38.950 37.678 1.272 17645 187 1 . 1 1 42 42 ILE H H 57 8.531 8.531 8.279 0.252 17645 188 1 . 1 1 43 43 SER N N 58 118.622 118.622 116.533 2.089 17645 189 1 . 1 1 43 43 SER HA H 58 4.322 4.322 4.085 0.237 17645 190 1 . 1 1 43 43 SER CA C 58 62.940 62.940 62.275 0.665 17645 191 1 . 1 1 43 43 SER CB C 58 63.500 63.500 62.984 0.516 17645 192 1 . 1 1 43 43 SER H H 58 8.027 8.027 7.761 0.266 17645 193 1 . 1 1 44 44 ILE N N 59 126.416 126.416 122.141 4.275 17645 194 1 . 1 1 44 44 ILE HA H 59 3.628 3.628 3.608 0.020 17645 195 1 . 1 1 44 44 ILE CA C 59 66.910 66.910 65.781 1.129 17645 196 1 . 1 1 44 44 ILE CB C 59 39.160 39.160 37.763 1.397 17645 197 1 . 1 1 44 44 ILE H H 59 8.543 8.543 8.391 0.152 17645 198 1 . 1 1 45 45 ASP N N 60 121.563 121.563 119.719 1.844 17645 199 1 . 1 1 45 45 ASP HA H 60 4.407 4.407 4.299 0.108 17645 200 1 . 1 1 45 45 ASP CA C 60 58.280 58.280 57.717 0.562 17645 201 1 . 1 1 45 45 ASP CB C 60 40.760 40.760 40.540 0.220 17645 202 1 . 1 1 45 45 ASP H H 60 8.406 8.406 7.980 0.426 17645 203 1 . 1 1 46 46 ALA N N 61 123.500 123.500 122.588 0.911 17645 204 1 . 1 1 46 46 ALA HA H 61 4.202 4.202 4.056 0.146 17645 205 1 . 1 1 46 46 ALA CA C 61 55.710 55.710 55.097 0.613 17645 206 1 . 1 1 46 46 ALA CB C 61 18.660 18.660 18.456 0.204 17645 207 1 . 1 1 46 46 ALA H H 61 8.538 8.538 8.036 0.502 17645 208 1 . 1 1 47 47 LEU N N 62 121.942 121.942 119.715 2.227 17645 209 1 . 1 1 47 47 LEU HA H 62 4.294 4.294 3.878 0.416 17645 210 1 . 1 1 47 47 LEU CA C 62 58.660 58.660 58.679 -0.019 17645 211 1 . 1 1 47 47 LEU CB C 62 41.140 41.140 41.827 -0.688 17645 212 1 . 1 1 47 47 LEU H H 62 7.801 7.801 7.740 0.061 17645 213 1 . 1 1 48 48 MET N N 63 118.068 118.068 118.231 -0.163 17645 214 1 . 1 1 48 48 MET HA H 63 3.945 3.945 3.882 0.063 17645 215 1 . 1 1 48 48 MET CA C 63 60.330 60.330 59.034 1.296 17645 216 1 . 1 1 48 48 MET CB C 63 33.110 33.110 32.038 1.072 17645 217 1 . 1 1 48 48 MET H H 63 8.261 8.261 7.799 0.462 17645 218 1 . 1 1 49 49 ALA N N 64 120.428 120.428 118.849 1.579 17645 219 1 . 1 1 49 49 ALA HA H 64 4.101 4.101 4.065 0.036 17645 220 1 . 1 1 49 49 ALA CA C 64 55.770 55.770 54.779 0.991 17645 221 1 . 1 1 49 49 ALA CB C 64 18.770 18.770 18.203 0.567 17645 222 1 . 1 1 49 49 ALA H H 64 8.045 8.045 7.929 0.116 17645 223 1 . 1 1 50 50 LYS N N 65 121.947 121.947 117.777 4.170 17645 224 1 . 1 1 50 50 LYS HA H 65 4.039 4.039 4.263 -0.224 17645 225 1 . 1 1 50 50 LYS CA C 65 60.520 60.520 58.644 1.876 17645 226 1 . 1 1 50 50 LYS CB C 65 33.680 33.680 32.839 0.841 17645 227 1 . 1 1 50 50 LYS H H 65 8.063 8.063 7.770 0.293 17645 228 1 . 1 1 51 51 ILE N N 66 121.189 121.189 118.599 2.590 17645 229 1 . 1 1 51 51 ILE HA H 66 3.750 3.750 3.932 -0.182 17645 230 1 . 1 1 51 51 ILE CA C 66 65.740 65.740 62.800 2.940 17645 231 1 . 1 1 51 51 ILE CB C 66 39.120 39.120 37.281 1.839 17645 232 1 . 1 1 51 51 ILE H H 66 8.437 8.437 8.312 0.125 17645 233 1 . 1 1 52 52 LYS N N 67 117.119 117.119 118.220 -1.101 17645 234 1 . 1 1 52 52 LYS HA H 67 4.136 4.136 4.357 -0.221 17645 235 1 . 1 1 52 52 LYS CA C 67 59.210 59.210 57.299 1.911 17645 236 1 . 1 1 52 52 LYS CB C 67 33.680 33.680 33.131 0.549 17645 237 1 . 1 1 52 52 LYS H H 67 7.622 7.622 7.836 -0.214 17645 238 1 . 1 1 53 53 SER N N 68 111.824 111.824 114.190 -2.366 17645 239 1 . 1 1 53 53 SER HA H 68 4.602 4.602 4.597 0.005 17645 240 1 . 1 1 53 53 SER CA C 68 59.960 59.960 58.537 1.423 17645 241 1 . 1 1 53 53 SER CB C 68 65.750 65.750 63.473 2.277 17645 242 1 . 1 1 53 53 SER H H 68 7.750 7.750 7.737 0.013 17645 243 1 . 1 1 54 54 THR N N 69 115.916 115.916 112.259 3.657 17645 244 1 . 1 1 54 54 THR HA H 69 4.596 4.596 4.410 0.186 17645 245 1 . 1 1 54 54 THR CA C 69 62.460 62.460 61.645 0.815 17645 246 1 . 1 1 54 54 THR CB C 69 71.650 71.650 69.985 1.665 17645 247 1 . 1 1 54 54 THR H H 69 7.972 7.972 7.261 0.711 17645 248 1 . 1 1 55 55 MET N N 70 121.343 121.343 121.967 -0.624 17645 249 1 . 1 1 55 55 MET HA H 70 4.551 4.551 4.571 -0.020 17645 250 1 . 1 1 55 55 MET CA C 70 56.050 56.050 54.610 1.440 17645 251 1 . 1 1 55 55 MET CB C 70 32.500 32.500 32.176 0.324 17645 252 1 . 1 1 55 55 MET H H 70 8.306 8.306 8.571 -0.265 17645 253 1 . 1 1 56 56 MET N N 71 123.196 123.196 121.520 1.676 17645 254 1 . 1 1 56 56 MET HA H 71 4.706 4.706 4.402 0.304 17645 255 1 . 1 1 56 56 MET CA C 71 55.860 55.860 55.598 0.262 17645 256 1 . 1 1 56 56 MET CB C 71 37.620 37.620 32.962 4.658 17645 257 1 . 1 1 56 56 MET H H 71 8.114 8.114 7.716 0.398 17645 258 1 . 1 1 57 57 THR N N 72 113.158 113.158 117.983 -4.825 17645 259 1 . 1 1 57 57 THR HA H 72 4.483 4.483 4.469 0.014 17645 260 1 . 1 1 57 57 THR CA C 72 61.080 61.080 61.940 -0.860 17645 261 1 . 1 1 57 57 THR CB C 72 71.670 71.670 69.928 1.742 17645 262 1 . 1 1 57 57 THR H H 72 8.486 8.486 8.332 0.154 17645 263 1 . 1 1 58 58 ARG N N 73 121.911 121.911 125.318 -3.407 17645 264 1 . 1 1 58 58 ARG HA H 73 3.909 3.909 3.938 -0.029 17645 265 1 . 1 1 58 58 ARG CA C 73 60.520 60.520 59.821 0.699 17645 266 1 . 1 1 58 58 ARG CB C 73 30.330 30.330 29.848 0.482 17645 267 1 . 1 1 58 58 ARG H H 73 8.961 8.961 8.873 0.088 17645 268 1 . 1 1 59 59 GLU N N 74 118.955 118.955 118.826 0.129 17645 269 1 . 1 1 59 59 GLU HA H 74 4.032 4.032 4.019 0.013 17645 270 1 . 1 1 59 59 GLU CA C 74 60.890 60.890 60.021 0.869 17645 271 1 . 1 1 59 59 GLU CB C 74 29.960 29.960 28.995 0.965 17645 272 1 . 1 1 59 59 GLU H H 74 8.833 8.833 8.772 0.061 17645 273 1 . 1 1 60 60 GLN N N 75 121.077 121.077 118.481 2.596 17645 274 1 . 1 1 60 60 GLN HA H 75 3.990 3.990 4.109 -0.119 17645 275 1 . 1 1 60 60 GLN CA C 75 59.400 59.400 58.711 0.689 17645 276 1 . 1 1 60 60 GLN CB C 75 29.390 29.390 28.412 0.978 17645 277 1 . 1 1 60 60 GLN H H 75 7.801 7.801 7.663 0.138 17645 278 1 . 1 1 61 61 ILE N N 76 120.016 120.016 119.629 0.387 17645 279 1 . 1 1 61 61 ILE HA H 76 3.429 3.429 3.904 -0.475 17645 280 1 . 1 1 61 61 ILE CA C 76 66.860 66.860 63.308 3.552 17645 281 1 . 1 1 61 61 ILE CB C 76 38.710 38.710 36.738 1.972 17645 282 1 . 1 1 61 61 ILE H H 76 8.250 8.250 7.538 0.712 17645 283 1 . 1 1 62 62 GLN N N 77 119.153 119.153 120.153 -1.001 17645 284 1 . 1 1 62 62 GLN HA H 77 3.767 3.767 4.036 -0.269 17645 285 1 . 1 1 62 62 GLN CA C 77 59.770 59.770 59.249 0.521 17645 286 1 . 1 1 62 62 GLN CB C 77 29.080 29.080 28.381 0.699 17645 287 1 . 1 1 62 62 GLN H H 77 8.295 8.295 8.199 0.096 17645 288 1 . 1 1 63 63 LYS N N 78 118.200 118.200 119.853 -1.653 17645 289 1 . 1 1 63 63 LYS HA H 78 4.154 4.154 4.087 0.067 17645 290 1 . 1 1 63 63 LYS CA C 78 60.150 60.150 59.392 0.758 17645 291 1 . 1 1 63 63 LYS CB C 78 33.310 33.310 32.278 1.032 17645 292 1 . 1 1 63 63 LYS H H 78 7.839 7.839 7.836 0.003 17645 293 1 . 1 1 64 64 GLU N N 79 120.133 120.133 119.378 0.755 17645 294 1 . 1 1 64 64 GLU HA H 79 4.142 4.142 3.998 0.144 17645 295 1 . 1 1 64 64 GLU CA C 79 60.330 60.330 59.552 0.778 17645 296 1 . 1 1 64 64 GLU CB C 79 30.610 30.610 29.539 1.071 17645 297 1 . 1 1 64 64 GLU H H 79 7.899 7.899 7.989 -0.090 17645 298 1 . 1 1 65 65 TYR N N 80 122.505 122.505 119.602 2.903 17645 299 1 . 1 1 65 65 TYR HA H 80 3.942 3.942 4.218 -0.276 17645 300 1 . 1 1 65 65 TYR CA C 80 62.760 62.760 61.386 1.374 17645 301 1 . 1 1 65 65 TYR CB C 80 39.470 39.470 38.359 1.111 17645 302 1 . 1 1 65 65 TYR H H 80 9.023 9.023 8.051 0.972 17645 303 1 . 1 1 66 66 ASP N N 81 120.497 120.497 119.531 0.966 17645 304 1 . 1 1 66 66 ASP HA H 81 4.217 4.217 4.379 -0.162 17645 305 1 . 1 1 66 66 ASP CA C 81 58.100 58.100 57.392 0.708 17645 306 1 . 1 1 66 66 ASP CB C 81 40.640 40.640 40.460 0.180 17645 307 1 . 1 1 66 66 ASP H H 81 9.089 9.089 7.809 1.280 17645 308 1 . 1 1 67 67 ALA N N 82 122.397 122.397 122.480 -0.083 17645 309 1 . 1 1 67 67 ALA HA H 82 4.187 4.187 4.074 0.113 17645 310 1 . 1 1 67 67 ALA CA C 82 55.830 55.830 55.162 0.667 17645 311 1 . 1 1 67 67 ALA CB C 82 18.920 18.920 18.485 0.435 17645 312 1 . 1 1 67 67 ALA H H 82 7.636 7.636 8.258 -0.622 17645 313 1 . 1 1 68 68 LEU N N 83 121.806 121.806 118.225 3.581 17645 314 1 . 1 1 68 68 LEU HA H 83 4.145 4.145 4.069 0.077 17645 315 1 . 1 1 68 68 LEU CA C 83 58.280 58.280 57.639 0.641 17645 316 1 . 1 1 68 68 LEU CB C 83 42.860 42.860 41.906 0.954 17645 317 1 . 1 1 68 68 LEU H H 83 7.727 7.727 7.676 0.051 17645 318 1 . 1 1 69 69 VAL N N 84 123.560 123.560 120.440 3.120 17645 319 1 . 1 1 69 69 VAL HA H 84 3.305 3.305 3.644 -0.339 17645 320 1 . 1 1 69 69 VAL CA C 84 68.040 68.040 66.362 1.677 17645 321 1 . 1 1 69 69 VAL CB C 84 32.190 32.190 31.031 1.159 17645 322 1 . 1 1 69 69 VAL H H 84 8.560 8.560 7.831 0.729 17645 323 1 . 1 1 70 70 LYS N N 85 121.398 121.398 120.681 0.717 17645 324 1 . 1 1 70 70 LYS HA H 85 4.092 4.092 4.075 0.017 17645 325 1 . 1 1 70 70 LYS CA C 85 60.250 60.250 59.480 0.770 17645 326 1 . 1 1 70 70 LYS CB C 85 32.760 32.760 32.122 0.638 17645 327 1 . 1 1 70 70 LYS H H 85 7.956 7.956 8.437 -0.481 17645 328 1 . 1 1 71 71 SER N N 86 114.825 114.825 115.111 -0.286 17645 329 1 . 1 1 71 71 SER HA H 86 4.298 4.298 4.175 0.123 17645 330 1 . 1 1 71 71 SER CA C 86 62.810 62.810 61.727 1.083 17645 331 1 . 1 1 71 71 SER CB C 86 63.640 63.640 62.956 0.684 17645 332 1 . 1 1 71 71 SER H H 86 8.284 8.284 7.898 0.386 17645 333 1 . 1 1 72 72 SER N N 87 118.845 118.845 117.677 1.168 17645 334 1 . 1 1 72 72 SER HA H 87 4.269 4.269 4.000 0.269 17645 335 1 . 1 1 72 72 SER CA C 87 62.940 62.940 61.760 1.180 17645 336 1 . 1 1 72 72 SER CB C 87 63.870 63.870 62.935 0.935 17645 337 1 . 1 1 72 72 SER H H 87 8.421 8.421 8.279 0.142 17645 338 1 . 1 1 73 73 GLU N N 88 124.809 124.809 121.246 3.563 17645 339 1 . 1 1 73 73 GLU HA H 88 4.052 4.052 3.919 0.133 17645 340 1 . 1 1 73 73 GLU CA C 88 60.230 60.230 59.484 0.746 17645 341 1 . 1 1 73 73 GLU CB C 88 30.230 30.230 29.336 0.894 17645 342 1 . 1 1 73 73 GLU H H 88 8.376 8.376 7.924 0.452 17645 343 1 . 1 1 74 74 ASP N N 89 122.193 122.193 119.672 2.521 17645 344 1 . 1 1 74 74 ASP HA H 89 4.411 4.411 4.411 -0.000 17645 345 1 . 1 1 74 74 ASP CA C 89 57.910 57.910 57.143 0.767 17645 346 1 . 1 1 74 74 ASP CB C 89 40.580 40.580 40.847 -0.267 17645 347 1 . 1 1 74 74 ASP H H 89 8.734 8.734 7.773 0.961 17645 348 1 . 1 1 75 75 LEU N N 90 123.280 123.280 121.535 1.745 17645 349 1 . 1 1 75 75 LEU HA H 90 4.290 4.290 3.972 0.318 17645 350 1 . 1 1 75 75 LEU CA C 90 58.560 58.560 57.902 0.658 17645 351 1 . 1 1 75 75 LEU CB C 90 42.030 42.030 41.879 0.151 17645 352 1 . 1 1 75 75 LEU H H 90 7.986 7.986 7.305 0.681 17645 353 1 . 1 1 76 76 LEU N N 91 120.488 120.488 118.623 1.865 17645 354 1 . 1 1 76 76 LEU HA H 91 3.838 3.838 3.744 0.093 17645 355 1 . 1 1 76 76 LEU CA C 91 59.200 59.200 58.214 0.986 17645 356 1 . 1 1 76 76 LEU CB C 91 41.510 41.510 40.998 0.512 17645 357 1 . 1 1 76 76 LEU H H 91 8.280 8.280 7.905 0.375 17645 358 1 . 1 1 77 77 SER N N 92 113.817 113.817 114.893 -1.076 17645 359 1 . 1 1 77 77 SER HA H 92 4.235 4.235 4.119 0.116 17645 360 1 . 1 1 77 77 SER CA C 92 62.200 62.200 61.820 0.380 17645 361 1 . 1 1 77 77 SER CB C 92 63.440 63.440 62.773 0.667 17645 362 1 . 1 1 77 77 SER H H 92 8.219 8.219 7.961 0.258 17645 363 1 . 1 1 78 78 ALA N N 93 124.902 124.902 124.325 0.577 17645 364 1 . 1 1 78 78 ALA HA H 93 4.166 4.166 4.089 0.077 17645 365 1 . 1 1 78 78 ALA CA C 93 55.860 55.860 54.862 0.998 17645 366 1 . 1 1 78 78 ALA CB C 93 18.760 18.760 18.313 0.447 17645 367 1 . 1 1 78 78 ALA H H 93 7.949 7.949 7.790 0.159 17645 368 1 . 1 1 79 79 LEU N N 94 120.602 120.602 119.436 1.166 17645 369 1 . 1 1 79 79 LEU HA H 94 4.067 4.067 3.871 0.196 17645 370 1 . 1 1 79 79 LEU CA C 94 58.470 58.470 58.226 0.244 17645 371 1 . 1 1 79 79 LEU CB C 94 42.610 42.610 41.632 0.978 17645 372 1 . 1 1 79 79 LEU H H 94 8.587 8.587 8.091 0.495 17645 373 1 . 1 1 80 80 GLN N N 95 119.525 119.525 118.504 1.021 17645 374 1 . 1 1 80 80 GLN HA H 95 4.048 4.048 3.923 0.125 17645 375 1 . 1 1 80 80 GLN CA C 95 59.590 59.590 59.556 0.034 17645 376 1 . 1 1 80 80 GLN CB C 95 28.840 28.840 28.354 0.486 17645 377 1 . 1 1 80 80 GLN H H 95 8.561 8.561 8.514 0.047 17645 378 1 . 1 1 81 81 LYS N N 96 121.075 121.075 118.789 2.286 17645 379 1 . 1 1 81 81 LYS HA H 96 4.137 4.137 4.052 0.085 17645 380 1 . 1 1 81 81 LYS CA C 96 60.050 60.050 59.295 0.755 17645 381 1 . 1 1 81 81 LYS CB C 96 32.940 32.940 32.084 0.856 17645 382 1 . 1 1 81 81 LYS H H 96 8.003 8.003 7.806 0.197 17645 383 1 . 1 1 82 82 LYS N N 97 121.415 121.415 119.970 1.445 17645 384 1 . 1 1 82 82 LYS HA H 97 4.125 4.125 4.000 0.125 17645 385 1 . 1 1 82 82 LYS CA C 97 59.970 59.970 59.743 0.227 17645 386 1 . 1 1 82 82 LYS CB C 97 33.120 33.120 32.386 0.734 17645 387 1 . 1 1 82 82 LYS H H 97 7.903 7.903 7.760 0.143 17645 388 1 . 1 1 83 83 LYS N N 98 121.081 121.081 118.772 2.309 17645 389 1 . 1 1 83 83 LYS HA H 98 3.982 3.982 4.060 -0.078 17645 390 1 . 1 1 83 83 LYS CA C 98 60.010 60.010 59.139 0.871 17645 391 1 . 1 1 83 83 LYS CB C 98 33.120 33.120 32.092 1.028 17645 392 1 . 1 1 83 83 LYS H H 98 8.202 8.202 7.975 0.227 17645 393 1 . 1 1 84 84 GLN N N 99 119.576 119.576 117.856 1.720 17645 394 1 . 1 1 84 84 GLN HA H 99 4.124 4.124 4.079 0.045 17645 395 1 . 1 1 84 84 GLN CA C 99 59.810 59.810 58.137 1.673 17645 396 1 . 1 1 84 84 GLN CB C 99 28.960 28.960 28.523 0.437 17645 397 1 . 1 1 84 84 GLN H H 99 8.125 8.125 8.025 0.100 17645 398 1 . 1 1 85 85 GLN N N 100 120.009 120.009 118.180 1.829 17645 399 1 . 1 1 85 85 GLN HA H 100 4.121 4.121 4.160 -0.039 17645 400 1 . 1 1 85 85 GLN CA C 100 59.590 59.590 57.353 2.237 17645 401 1 . 1 1 85 85 GLN CB C 100 29.020 29.020 29.366 -0.346 17645 402 1 . 1 1 85 85 GLN H H 100 8.341 8.341 7.732 0.609 17645 403 1 . 1 1 86 86 GLU N N 101 121.718 121.718 117.524 4.194 17645 404 1 . 1 1 86 86 GLU HA H 101 4.135 4.135 4.134 0.001 17645 405 1 . 1 1 86 86 GLU CA C 101 60.430 60.430 57.381 3.049 17645 406 1 . 1 1 86 86 GLU CB C 101 30.140 30.140 29.566 0.574 17645 407 1 . 1 1 86 86 GLU H H 101 8.275 8.275 8.012 0.263 17645 408 1 . 1 1 87 87 GLU N N 102 121.412 121.412 119.164 2.248 17645 409 1 . 1 1 87 87 GLU HA H 102 4.116 4.116 4.316 -0.200 17645 410 1 . 1 1 87 87 GLU CA C 102 59.960 59.960 56.955 3.005 17645 411 1 . 1 1 87 87 GLU CB C 102 30.290 30.290 30.610 -0.320 17645 412 1 . 1 1 87 87 GLU H H 102 8.330 8.330 8.382 -0.052 17645 stop_ save_