data_19904 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19904 _Entry.PDB_ID 2MNT 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 19904 _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 THR N N 2 114.985 114.985 113.281 1.704 19904 2 1 1 . 1 1 2 2 THR HA H 2 4.233 4.233 4.635 -0.402 19904 3 1 1 . 1 1 2 2 THR C C 2 170.697 170.697 172.804 -2.107 19904 4 1 1 . 1 1 2 2 THR CA C 2 61.775 61.775 61.190 0.585 19904 5 1 1 . 1 1 2 2 THR CB C 2 69.429 69.429 71.124 -1.695 19904 6 1 1 . 1 1 2 2 THR H H 2 8.140 8.140 8.241 -0.101 19904 7 1 1 . 1 1 3 3 GLU N N 3 121.736 121.736 119.351 2.385 19904 8 1 1 . 1 1 3 3 GLU HA H 3 5.206 5.206 5.294 -0.088 19904 9 1 1 . 1 1 3 3 GLU C C 3 173.028 173.028 175.405 -2.377 19904 10 1 1 . 1 1 3 3 GLU CA C 3 54.900 54.900 55.264 -0.364 19904 11 1 1 . 1 1 3 3 GLU CB C 3 31.659 31.659 32.103 -0.444 19904 12 1 1 . 1 1 3 3 GLU H H 3 8.108 8.108 8.469 -0.361 19904 13 1 1 . 1 1 4 4 ARG N N 4 120.713 120.713 122.812 -2.099 19904 14 1 1 . 1 1 4 4 ARG HA H 4 4.360 4.360 4.522 -0.162 19904 15 1 1 . 1 1 4 4 ARG C C 4 170.103 170.103 173.452 -3.349 19904 16 1 1 . 1 1 4 4 ARG CA C 4 53.816 53.816 53.567 0.249 19904 17 1 1 . 1 1 4 4 ARG CB C 4 35.162 35.162 33.575 1.587 19904 18 1 1 . 1 1 4 4 ARG H H 4 8.309 8.309 8.597 -0.288 19904 19 1 1 . 1 1 5 5 HIS N N 5 121.423 121.423 116.933 4.490 19904 20 1 1 . 1 1 5 5 HIS HA H 5 5.197 5.197 4.647 0.550 19904 21 1 1 . 1 1 5 5 HIS C C 5 170.917 170.917 173.221 -2.304 19904 22 1 1 . 1 1 5 5 HIS CA C 5 52.151 52.151 54.091 -1.940 19904 23 1 1 . 1 1 5 5 HIS CB C 5 29.920 29.920 30.375 -0.455 19904 24 1 1 . 1 1 5 5 HIS H H 5 8.591 8.591 7.829 0.762 19904 25 1 1 . 1 1 6 6 PHE N N 6 122.961 122.961 118.961 4.000 19904 26 1 1 . 1 1 6 6 PHE HA H 6 6.042 6.042 4.446 1.596 19904 27 1 1 . 1 1 6 6 PHE C C 6 171.599 171.599 173.000 -1.401 19904 28 1 1 . 1 1 6 6 PHE CA C 6 55.284 55.284 54.647 0.637 19904 29 1 1 . 1 1 6 6 PHE CB C 6 43.276 43.276 39.834 3.442 19904 30 1 1 . 1 1 6 6 PHE H H 6 7.523 7.523 7.839 -0.316 19904 31 1 1 . 1 1 7 7 TYR N N 7 119.822 119.822 117.078 2.744 19904 32 1 1 . 1 1 7 7 TYR HA H 7 5.692 5.692 5.177 0.515 19904 33 1 1 . 1 1 7 7 TYR C C 7 173.785 173.785 174.682 -0.897 19904 34 1 1 . 1 1 7 7 TYR CA C 7 55.865 55.865 56.637 -0.772 19904 35 1 1 . 1 1 7 7 TYR CB C 7 44.067 44.067 41.201 2.866 19904 36 1 1 . 1 1 7 7 TYR H H 7 9.313 9.313 8.164 1.149 19904 37 1 1 . 1 1 8 8 HIS N N 8 114.648 114.648 116.143 -1.495 19904 38 1 1 . 1 1 8 8 HIS HA H 8 6.178 6.178 5.782 0.396 19904 39 1 1 . 1 1 8 8 HIS C C 8 170.959 170.959 174.099 -3.140 19904 40 1 1 . 1 1 8 8 HIS CA C 8 54.875 54.875 53.267 1.608 19904 41 1 1 . 1 1 8 8 HIS CB C 8 36.453 36.453 34.110 2.343 19904 42 1 1 . 1 1 8 8 HIS H H 8 9.369 9.369 8.664 0.705 19904 43 1 1 . 1 1 9 9 VAL N N 9 120.650 120.650 119.530 1.120 19904 44 1 1 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.952 -0.391 19904 45 1 1 . 1 1 9 9 VAL C C 9 170.078 170.078 173.984 -3.906 19904 46 1 1 . 1 1 9 9 VAL CA C 9 61.367 61.367 61.394 -0.027 19904 47 1 1 . 1 1 9 9 VAL CB C 9 34.926 34.926 33.423 1.503 19904 48 1 1 . 1 1 9 9 VAL H H 9 8.936 8.936 8.026 0.910 19904 49 1 1 . 1 1 10 10 LEU N N 10 125.870 125.870 130.032 -4.162 19904 50 1 1 . 1 1 10 10 LEU HA H 10 4.614 4.614 4.874 -0.260 19904 51 1 1 . 1 1 10 10 LEU C C 10 171.186 171.186 175.320 -4.134 19904 52 1 1 . 1 1 10 10 LEU CA C 10 52.217 52.217 53.596 -1.379 19904 53 1 1 . 1 1 10 10 LEU CB C 10 46.523 46.523 43.556 2.967 19904 54 1 1 . 1 1 10 10 LEU H H 10 7.452 7.452 8.406 -0.954 19904 55 1 1 . 1 1 11 11 VAL N N 11 128.355 128.355 126.369 1.986 19904 56 1 1 . 1 1 11 11 VAL HA H 11 4.086 4.086 4.382 -0.296 19904 57 1 1 . 1 1 11 11 VAL C C 11 173.155 173.155 174.711 -1.556 19904 58 1 1 . 1 1 11 11 VAL CA C 11 61.124 61.124 61.699 -0.575 19904 59 1 1 . 1 1 11 11 VAL CB C 11 32.522 32.522 32.790 -0.268 19904 60 1 1 . 1 1 11 11 VAL H H 11 9.422 9.422 8.628 0.794 19904 61 1 1 . 1 1 12 12 LYS N N 12 123.610 123.610 128.021 -4.411 19904 62 1 1 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.460 -0.245 19904 63 1 1 . 1 1 12 12 LYS C C 12 170.645 170.645 175.285 -4.640 19904 64 1 1 . 1 1 12 12 LYS CA C 12 56.259 56.259 56.010 0.249 19904 65 1 1 . 1 1 12 12 LYS CB C 12 34.702 34.702 34.633 0.069 19904 66 1 1 . 1 1 12 12 LYS H H 12 9.071 9.071 8.657 0.414 19904 67 1 1 . 1 1 13 13 HIS N N 13 110.414 110.414 115.089 -4.675 19904 68 1 1 . 1 1 13 13 HIS HA H 13 4.396 4.396 4.746 -0.350 19904 69 1 1 . 1 1 13 13 HIS C C 13 172.651 172.651 174.598 -1.947 19904 70 1 1 . 1 1 13 13 HIS CA C 13 54.368 54.368 55.640 -1.272 19904 71 1 1 . 1 1 13 13 HIS CB C 13 33.731 33.731 32.307 1.424 19904 72 1 1 . 1 1 13 13 HIS H H 13 6.186 6.186 7.900 -1.714 19904 73 1 1 . 1 1 14 14 LYS N N 14 115.373 115.373 121.389 -6.016 19904 74 1 1 . 1 1 14 14 LYS HA H 14 4.074 4.074 3.900 0.174 19904 75 1 1 . 1 1 14 14 LYS C C 14 172.860 172.860 176.996 -4.136 19904 76 1 1 . 1 1 14 14 LYS CA C 14 58.131 58.131 57.718 0.413 19904 77 1 1 . 1 1 14 14 LYS CB C 14 32.074 32.074 31.861 0.213 19904 78 1 1 . 1 1 14 14 LYS H H 14 9.074 9.074 8.234 0.840 19904 79 1 1 . 1 1 15 15 ASP N N 15 119.786 119.786 117.796 1.990 19904 80 1 1 . 1 1 15 15 ASP HA H 15 5.117 5.117 4.581 0.536 19904 81 1 1 . 1 1 15 15 ASP C C 15 173.969 173.969 176.996 -3.027 19904 82 1 1 . 1 1 15 15 ASP CA C 15 54.644 54.644 54.326 0.318 19904 83 1 1 . 1 1 15 15 ASP CB C 15 41.772 41.772 41.593 0.179 19904 84 1 1 . 1 1 15 15 ASP H H 15 8.951 8.951 7.188 1.763 19904 85 1 1 . 1 1 16 16 VAL N N 16 113.297 113.297 116.950 -3.653 19904 86 1 1 . 1 1 16 16 VAL HA H 16 4.353 4.353 4.085 0.268 19904 87 1 1 . 1 1 16 16 VAL C C 16 172.635 172.635 176.110 -3.475 19904 88 1 1 . 1 1 16 16 VAL CA C 16 60.510 60.510 61.470 -0.960 19904 89 1 1 . 1 1 16 16 VAL CB C 16 31.450 31.450 32.261 -0.811 19904 90 1 1 . 1 1 16 16 VAL H H 16 6.826 6.826 7.453 -0.627 19904 91 1 1 . 1 1 17 17 ARG N N 17 119.898 119.898 120.034 -0.136 19904 92 1 1 . 1 1 17 17 ARG HA H 17 3.990 3.990 4.188 -0.198 19904 93 1 1 . 1 1 17 17 ARG C C 17 174.690 174.690 176.860 -2.170 19904 94 1 1 . 1 1 17 17 ARG CA C 17 58.501 58.501 58.398 0.103 19904 95 1 1 . 1 1 17 17 ARG CB C 17 29.664 29.664 30.545 -0.881 19904 96 1 1 . 1 1 17 17 ARG H H 17 8.305 8.305 8.584 -0.279 19904 97 1 1 . 1 1 18 18 ARG N N 18 116.580 116.580 116.945 -0.365 19904 98 1 1 . 1 1 18 18 ARG HA H 18 4.643 4.643 4.760 -0.117 19904 99 1 1 . 1 1 18 18 ARG C C 18 171.330 171.330 174.427 -3.097 19904 100 1 1 . 1 1 18 18 ARG CA C 18 53.059 53.059 53.637 -0.578 19904 101 1 1 . 1 1 18 18 ARG CB C 18 29.538 29.538 29.672 -0.134 19904 102 1 1 . 1 1 18 18 ARG H H 18 8.304 8.304 8.277 0.027 19904 103 1 1 . 1 1 19 19 PRO HA H 19 4.177 4.177 4.330 -0.153 19904 104 1 1 . 1 1 19 19 PRO C C 19 171.575 171.575 176.820 -5.245 19904 105 1 1 . 1 1 19 19 PRO CA C 19 62.693 62.693 63.953 -1.260 19904 106 1 1 . 1 1 19 19 PRO CB C 19 27.756 27.756 32.176 -4.420 19904 107 1 1 . 1 1 20 20 SER N N 20 119.112 119.112 114.659 4.453 19904 108 1 1 . 1 1 20 20 SER HA H 20 5.172 5.172 4.456 0.716 19904 109 1 1 . 1 1 20 20 SER C C 20 171.036 171.036 174.171 -3.135 19904 110 1 1 . 1 1 20 20 SER CA C 20 56.630 56.630 58.522 -1.892 19904 111 1 1 . 1 1 20 20 SER CB C 20 65.310 65.310 64.043 1.267 19904 112 1 1 . 1 1 20 20 SER H H 20 8.587 8.587 8.075 0.512 19904 113 1 1 . 1 1 21 21 SER N N 21 116.758 116.758 119.699 -2.941 19904 114 1 1 . 1 1 21 21 SER HA H 21 4.448 4.448 4.543 -0.095 19904 115 1 1 . 1 1 21 21 SER C C 21 173.204 173.204 172.890 0.314 19904 116 1 1 . 1 1 21 21 SER CA C 21 57.984 57.984 58.253 -0.269 19904 117 1 1 . 1 1 21 21 SER CB C 21 63.579 63.579 63.112 0.467 19904 118 1 1 . 1 1 21 21 SER H H 21 9.000 9.000 8.173 0.827 19904 119 1 1 . 1 1 22 22 LEU N N 22 129.332 129.332 127.112 2.220 19904 120 1 1 . 1 1 22 22 LEU HA H 22 4.560 4.560 4.530 0.030 19904 121 1 1 . 1 1 22 22 LEU C C 22 172.591 172.591 175.854 -3.263 19904 122 1 1 . 1 1 22 22 LEU CA C 22 53.332 53.332 52.426 0.906 19904 123 1 1 . 1 1 22 22 LEU CB C 22 41.996 41.996 39.721 2.275 19904 124 1 1 . 1 1 22 22 LEU H H 22 8.292 8.292 8.196 0.096 19904 125 1 1 . 1 1 23 23 ALA N N 23 125.266 125.266 125.079 0.187 19904 126 1 1 . 1 1 23 23 ALA HA H 23 4.174 4.174 4.786 -0.612 19904 127 1 1 . 1 1 23 23 ALA C C 23 176.009 176.009 175.586 0.423 19904 128 1 1 . 1 1 23 23 ALA CA C 23 50.357 50.357 49.554 0.803 19904 129 1 1 . 1 1 23 23 ALA CB C 23 18.298 18.298 19.372 -1.074 19904 130 1 1 . 1 1 23 23 ALA H H 23 7.521 7.521 7.406 0.115 19904 131 1 1 . 1 1 24 24 PRO HA H 24 4.406 4.406 4.407 -0.001 19904 132 1 1 . 1 1 24 24 PRO C C 24 175.951 175.951 177.108 -1.157 19904 133 1 1 . 1 1 24 24 PRO CA C 24 64.918 64.918 64.471 0.447 19904 134 1 1 . 1 1 24 24 PRO CB C 24 31.480 31.480 32.042 -0.562 19904 135 1 1 . 1 1 25 25 ARG N N 25 113.570 113.570 117.856 -4.286 19904 136 1 1 . 1 1 25 25 ARG HA H 25 3.997 3.997 4.375 -0.378 19904 137 1 1 . 1 1 25 25 ARG C C 25 173.076 173.076 176.578 -3.502 19904 138 1 1 . 1 1 25 25 ARG CA C 25 57.993 57.993 56.749 1.244 19904 139 1 1 . 1 1 25 25 ARG CB C 25 29.623 29.623 30.139 -0.516 19904 140 1 1 . 1 1 25 25 ARG H H 25 7.997 7.997 8.453 -0.456 19904 141 1 1 . 1 1 26 26 ASN N N 26 118.698 118.698 116.356 2.342 19904 142 1 1 . 1 1 26 26 ASN HA H 26 4.684 4.684 4.769 -0.085 19904 143 1 1 . 1 1 26 26 ASN C C 26 171.211 171.211 173.728 -2.517 19904 144 1 1 . 1 1 26 26 ASN CA C 26 51.481 51.481 51.102 0.379 19904 145 1 1 . 1 1 26 26 ASN CB C 26 36.343 36.343 38.395 -2.052 19904 146 1 1 . 1 1 26 26 ASN H H 26 7.314 7.314 8.019 -0.705 19904 147 1 1 . 1 1 27 27 LYS N N 27 122.069 122.069 120.942 1.127 19904 148 1 1 . 1 1 27 27 LYS HA H 27 3.545 3.545 4.134 -0.589 19904 149 1 1 . 1 1 27 27 LYS C C 27 175.308 175.308 178.109 -2.801 19904 150 1 1 . 1 1 27 27 LYS CA C 27 58.932 58.932 57.855 1.077 19904 151 1 1 . 1 1 27 27 LYS CB C 27 32.223 32.223 32.308 -0.085 19904 152 1 1 . 1 1 27 27 LYS H H 27 6.739 6.739 7.673 -0.934 19904 153 1 1 . 1 1 28 28 GLY N N 28 115.186 115.186 112.606 2.580 19904 154 1 1 . 1 1 28 28 GLY C C 28 172.044 172.044 173.951 -1.907 19904 155 1 1 . 1 1 28 28 GLY CA C 28 44.167 44.167 44.850 -0.683 19904 156 1 1 . 1 1 28 28 GLY H H 28 9.170 9.170 8.762 0.408 19904 157 1 1 . 1 1 29 29 GLU N N 29 123.612 123.612 121.988 1.624 19904 158 1 1 . 1 1 29 29 GLU HA H 29 3.988 3.988 4.395 -0.407 19904 159 1 1 . 1 1 29 29 GLU C C 29 173.511 173.511 175.143 -1.632 19904 160 1 1 . 1 1 29 29 GLU CA C 29 57.456 57.456 56.144 1.312 19904 161 1 1 . 1 1 29 29 GLU CB C 29 29.848 29.848 30.902 -1.054 19904 162 1 1 . 1 1 29 29 GLU H H 29 8.247 8.247 7.740 0.507 19904 163 1 1 . 1 1 30 30 LYS N N 30 127.143 127.143 122.580 4.563 19904 164 1 1 . 1 1 30 30 LYS HA H 30 4.136 4.136 4.529 -0.393 19904 165 1 1 . 1 1 30 30 LYS C C 30 173.356 173.356 175.495 -2.139 19904 166 1 1 . 1 1 30 30 LYS CA C 30 57.006 57.006 55.090 1.916 19904 167 1 1 . 1 1 30 30 LYS CB C 30 32.352 32.352 35.834 -3.482 19904 168 1 1 . 1 1 30 30 LYS H H 30 8.580 8.580 8.404 0.176 19904 169 1 1 . 1 1 31 31 ILE N N 31 125.431 125.431 122.703 2.728 19904 170 1 1 . 1 1 31 31 ILE HA H 31 4.126 4.126 4.297 -0.171 19904 171 1 1 . 1 1 31 31 ILE C C 31 172.968 172.968 175.841 -2.873 19904 172 1 1 . 1 1 31 31 ILE CA C 31 58.365 58.365 60.855 -2.490 19904 173 1 1 . 1 1 31 31 ILE CB C 31 35.846 35.846 40.050 -4.204 19904 174 1 1 . 1 1 31 31 ILE H H 31 8.136 8.136 8.285 -0.149 19904 175 1 1 . 1 1 32 32 THR N N 32 116.000 116.000 116.545 -0.545 19904 176 1 1 . 1 1 32 32 THR HA H 32 4.391 4.391 4.450 -0.059 19904 177 1 1 . 1 1 32 32 THR C C 32 172.242 172.242 174.972 -2.730 19904 178 1 1 . 1 1 32 32 THR CA C 32 60.626 60.626 60.685 -0.059 19904 179 1 1 . 1 1 32 32 THR CB C 32 69.692 69.692 69.501 0.191 19904 180 1 1 . 1 1 32 32 THR H H 32 8.501 8.501 8.294 0.207 19904 181 1 1 . 1 1 33 33 ARG N N 33 122.696 122.696 121.620 1.076 19904 182 1 1 . 1 1 33 33 ARG HA H 33 4.516 4.516 4.304 0.212 19904 183 1 1 . 1 1 33 33 ARG C C 33 171.016 171.016 175.818 -4.802 19904 184 1 1 . 1 1 33 33 ARG CA C 33 55.200 55.200 56.611 -1.411 19904 185 1 1 . 1 1 33 33 ARG CB C 33 29.990 29.990 30.883 -0.893 19904 186 1 1 . 1 1 33 33 ARG H H 33 7.156 7.156 7.899 -0.743 19904 187 1 1 . 1 1 34 34 SER N N 34 117.773 117.773 113.155 4.618 19904 188 1 1 . 1 1 34 34 SER HA H 34 4.536 4.536 4.885 -0.349 19904 189 1 1 . 1 1 34 34 SER C C 34 172.654 172.654 176.209 -3.555 19904 190 1 1 . 1 1 34 34 SER CA C 34 57.072 57.072 57.283 -0.211 19904 191 1 1 . 1 1 34 34 SER CB C 34 65.763 65.763 65.048 0.715 19904 192 1 1 . 1 1 34 34 SER H H 34 9.144 9.144 8.408 0.736 19904 193 1 1 . 1 1 35 35 ARG N N 35 122.568 122.568 121.710 0.858 19904 194 1 1 . 1 1 35 35 ARG HA H 35 3.362 3.362 3.993 -0.631 19904 195 1 1 . 1 1 35 35 ARG C C 35 174.904 174.904 177.723 -2.819 19904 196 1 1 . 1 1 35 35 ARG CA C 35 60.234 60.234 59.213 1.021 19904 197 1 1 . 1 1 35 35 ARG CB C 35 29.363 29.363 29.176 0.187 19904 198 1 1 . 1 1 35 35 ARG H H 35 8.904 8.904 8.857 0.047 19904 199 1 1 . 1 1 36 36 ALA N N 36 120.049 120.049 120.151 -0.102 19904 200 1 1 . 1 1 36 36 ALA HA H 36 3.861 3.861 4.098 -0.237 19904 201 1 1 . 1 1 36 36 ALA C C 36 177.495 177.495 179.638 -2.143 19904 202 1 1 . 1 1 36 36 ALA CA C 36 54.849 54.849 54.510 0.339 19904 203 1 1 . 1 1 36 36 ALA CB C 36 17.598 17.598 17.730 -0.132 19904 204 1 1 . 1 1 36 36 ALA H H 36 8.120 8.120 8.445 -0.325 19904 205 1 1 . 1 1 37 37 ASP N N 37 118.222 118.222 118.913 -0.691 19904 206 1 1 . 1 1 37 37 ASP HA H 37 4.313 4.313 4.451 -0.138 19904 207 1 1 . 1 1 37 37 ASP C C 37 176.547 176.547 177.961 -1.414 19904 208 1 1 . 1 1 37 37 ASP CA C 37 56.653 56.653 57.333 -0.680 19904 209 1 1 . 1 1 37 37 ASP CB C 37 40.656 40.656 41.049 -0.393 19904 210 1 1 . 1 1 37 37 ASP H H 37 7.877 7.877 8.212 -0.335 19904 211 1 1 . 1 1 38 38 ALA N N 38 124.726 124.726 123.376 1.350 19904 212 1 1 . 1 1 38 38 ALA HA H 38 3.928 3.928 4.053 -0.125 19904 213 1 1 . 1 1 38 38 ALA C C 38 175.791 175.791 179.626 -3.835 19904 214 1 1 . 1 1 38 38 ALA CA C 38 55.163 55.163 55.035 0.127 19904 215 1 1 . 1 1 38 38 ALA CB C 38 18.040 18.040 18.409 -0.369 19904 216 1 1 . 1 1 38 38 ALA H H 38 8.269 8.269 7.275 0.994 19904 217 1 1 . 1 1 39 39 ILE N N 39 119.010 119.010 117.756 1.254 19904 218 1 1 . 1 1 39 39 ILE HA H 39 3.476 3.476 3.519 -0.043 19904 219 1 1 . 1 1 39 39 ILE C C 39 175.129 175.129 178.173 -3.044 19904 220 1 1 . 1 1 39 39 ILE CA C 39 65.121 65.121 65.971 -0.850 19904 221 1 1 . 1 1 39 39 ILE CB C 39 37.411 37.411 37.650 -0.239 19904 222 1 1 . 1 1 39 39 ILE H H 39 7.974 7.974 7.754 0.220 19904 223 1 1 . 1 1 40 40 ASN N N 40 117.393 117.393 117.660 -0.267 19904 224 1 1 . 1 1 40 40 ASN HA H 40 4.332 4.332 4.468 -0.136 19904 225 1 1 . 1 1 40 40 ASN C C 40 175.608 175.608 177.636 -2.028 19904 226 1 1 . 1 1 40 40 ASN CA C 40 55.865 55.865 55.937 -0.072 19904 227 1 1 . 1 1 40 40 ASN CB C 40 37.589 37.589 38.659 -1.070 19904 228 1 1 . 1 1 40 40 ASN H H 40 8.122 8.122 7.513 0.609 19904 229 1 1 . 1 1 41 41 LEU N N 41 123.846 123.846 122.334 1.512 19904 230 1 1 . 1 1 41 41 LEU HA H 41 4.127 4.127 3.659 0.468 19904 231 1 1 . 1 1 41 41 LEU C C 41 175.147 175.147 177.523 -2.376 19904 232 1 1 . 1 1 41 41 LEU CA C 41 57.816 57.816 58.083 -0.267 19904 233 1 1 . 1 1 41 41 LEU CB C 41 41.589 41.589 41.252 0.337 19904 234 1 1 . 1 1 41 41 LEU H H 41 8.220 8.220 7.972 0.248 19904 235 1 1 . 1 1 42 42 ALA N N 42 120.677 120.677 119.523 1.154 19904 236 1 1 . 1 1 42 42 ALA HA H 42 3.763 3.763 3.686 0.077 19904 237 1 1 . 1 1 42 42 ALA C C 42 176.512 176.512 179.662 -3.150 19904 238 1 1 . 1 1 42 42 ALA CA C 42 55.411 55.411 55.238 0.173 19904 239 1 1 . 1 1 42 42 ALA CB C 42 17.619 17.619 18.114 -0.495 19904 240 1 1 . 1 1 42 42 ALA H H 42 7.959 7.959 7.605 0.354 19904 241 1 1 . 1 1 43 43 GLN N N 43 114.196 114.196 117.216 -3.020 19904 242 1 1 . 1 1 43 43 GLN HA H 43 3.963 3.963 3.957 0.006 19904 243 1 1 . 1 1 43 43 GLN C C 43 176.189 176.189 178.368 -2.179 19904 244 1 1 . 1 1 43 43 GLN CA C 43 58.629 58.629 58.456 0.173 19904 245 1 1 . 1 1 43 43 GLN CB C 43 27.777 27.777 28.682 -0.905 19904 246 1 1 . 1 1 43 43 GLN H H 43 8.275 8.275 7.547 0.728 19904 247 1 1 . 1 1 44 44 ALA N N 44 124.632 124.632 122.349 2.283 19904 248 1 1 . 1 1 44 44 ALA HA H 44 4.092 4.092 4.015 0.077 19904 249 1 1 . 1 1 44 44 ALA C C 44 178.108 178.108 179.239 -1.131 19904 250 1 1 . 1 1 44 44 ALA CA C 44 54.752 54.752 54.639 0.113 19904 251 1 1 . 1 1 44 44 ALA CB C 44 17.241 17.241 18.512 -1.271 19904 252 1 1 . 1 1 44 44 ALA H H 44 8.134 8.134 7.878 0.256 19904 253 1 1 . 1 1 45 45 ILE N N 45 120.659 120.659 118.369 2.290 19904 254 1 1 . 1 1 45 45 ILE HA H 45 3.323 3.323 3.706 -0.383 19904 255 1 1 . 1 1 45 45 ILE C C 45 176.240 176.240 178.439 -2.199 19904 256 1 1 . 1 1 45 45 ILE CA C 45 65.254 65.254 65.109 0.145 19904 257 1 1 . 1 1 45 45 ILE CB C 45 37.531 37.531 37.991 -0.460 19904 258 1 1 . 1 1 45 45 ILE H H 45 7.970 7.970 8.014 -0.044 19904 259 1 1 . 1 1 46 46 LEU N N 46 117.950 117.950 117.843 0.107 19904 260 1 1 . 1 1 46 46 LEU HA H 46 4.223 4.223 4.333 -0.110 19904 261 1 1 . 1 1 46 46 LEU C C 46 177.868 177.868 177.731 0.137 19904 262 1 1 . 1 1 46 46 LEU CA C 46 57.585 57.585 57.915 -0.330 19904 263 1 1 . 1 1 46 46 LEU CB C 46 41.627 41.627 41.129 0.498 19904 264 1 1 . 1 1 46 46 LEU H H 46 7.360 7.360 7.535 -0.175 19904 265 1 1 . 1 1 47 47 ALA N N 47 120.942 120.942 119.037 1.905 19904 266 1 1 . 1 1 47 47 ALA HA H 47 4.072 4.072 4.320 -0.248 19904 267 1 1 . 1 1 47 47 ALA C C 47 176.501 176.501 179.358 -2.857 19904 268 1 1 . 1 1 47 47 ALA CA C 47 53.869 53.869 53.203 0.666 19904 269 1 1 . 1 1 47 47 ALA CB C 47 17.600 17.600 17.978 -0.378 19904 270 1 1 . 1 1 47 47 ALA H H 47 8.135 8.135 7.163 0.972 19904 271 1 1 . 1 1 48 48 GLN N N 48 116.773 116.773 118.258 -1.485 19904 272 1 1 . 1 1 48 48 GLN HA H 48 3.947 3.947 4.170 -0.223 19904 273 1 1 . 1 1 48 48 GLN C C 48 173.703 173.703 176.865 -3.162 19904 274 1 1 . 1 1 48 48 GLN CA C 48 57.455 57.455 57.654 -0.199 19904 275 1 1 . 1 1 48 48 GLN CB C 48 27.999 27.999 28.676 -0.677 19904 276 1 1 . 1 1 48 48 GLN H H 48 7.615 7.615 8.164 -0.549 19904 277 1 1 . 1 1 49 49 HIS N N 49 116.736 116.736 116.284 0.452 19904 278 1 1 . 1 1 49 49 HIS HA H 49 4.686 4.686 4.520 0.166 19904 279 1 1 . 1 1 49 49 HIS C C 49 172.191 172.191 173.896 -1.705 19904 280 1 1 . 1 1 49 49 HIS CA C 49 53.597 53.597 52.196 1.401 19904 281 1 1 . 1 1 49 49 HIS CB C 49 28.298 28.298 26.952 1.346 19904 282 1 1 . 1 1 49 49 HIS H H 49 7.373 7.373 7.673 -0.300 19904 283 1 1 . 1 1 50 50 LYS N N 50 119.417 119.417 123.042 -3.625 19904 284 1 1 . 1 1 50 50 LYS HA H 50 4.048 4.048 4.065 -0.017 19904 285 1 1 . 1 1 50 50 LYS C C 50 174.041 174.041 176.489 -2.448 19904 286 1 1 . 1 1 50 50 LYS CA C 50 58.207 58.207 57.456 0.751 19904 287 1 1 . 1 1 50 50 LYS CB C 50 31.869 31.869 31.426 0.443 19904 288 1 1 . 1 1 50 50 LYS H H 50 7.494 7.494 7.567 -0.073 19904 289 1 1 . 1 1 51 51 GLU N N 51 117.754 117.754 118.826 -1.072 19904 290 1 1 . 1 1 51 51 GLU HA H 51 4.097 4.097 3.905 0.192 19904 291 1 1 . 1 1 51 51 GLU C C 51 173.337 173.337 175.565 -2.228 19904 292 1 1 . 1 1 51 51 GLU CA C 51 57.273 57.273 57.305 -0.032 19904 293 1 1 . 1 1 51 51 GLU CB C 51 28.391 28.391 27.592 0.799 19904 294 1 1 . 1 1 51 51 GLU H H 51 8.916 8.916 8.450 0.466 19904 295 1 1 . 1 1 52 52 ARG N N 52 118.808 118.808 116.448 2.360 19904 296 1 1 . 1 1 52 52 ARG HA H 52 4.511 4.511 4.423 0.088 19904 297 1 1 . 1 1 52 52 ARG C C 52 172.824 172.824 173.456 -0.632 19904 298 1 1 . 1 1 52 52 ARG CA C 52 55.657 55.657 55.014 0.643 19904 299 1 1 . 1 1 52 52 ARG CB C 52 31.484 31.484 32.048 -0.564 19904 300 1 1 . 1 1 52 52 ARG H H 52 7.708 7.708 7.610 0.098 19904 301 1 1 . 1 1 53 53 LYS N N 53 121.953 121.953 120.887 1.066 19904 302 1 1 . 1 1 53 53 LYS HA H 53 4.502 4.502 4.856 -0.354 19904 303 1 1 . 1 1 53 53 LYS C C 53 173.892 173.892 174.679 -0.787 19904 304 1 1 . 1 1 53 53 LYS CA C 53 56.580 56.580 56.104 0.476 19904 305 1 1 . 1 1 53 53 LYS CB C 53 32.659 32.659 33.189 -0.530 19904 306 1 1 . 1 1 53 53 LYS H H 53 8.698 8.698 8.303 0.395 19904 307 1 1 . 1 1 54 54 THR N N 54 109.590 109.590 113.843 -4.253 19904 308 1 1 . 1 1 54 54 THR HA H 54 4.925 4.925 5.205 -0.280 19904 309 1 1 . 1 1 54 54 THR C C 54 171.619 171.619 173.058 -1.439 19904 310 1 1 . 1 1 54 54 THR CA C 54 59.929 59.929 61.967 -2.038 19904 311 1 1 . 1 1 54 54 THR CB C 54 70.010 70.010 71.892 -1.882 19904 312 1 1 . 1 1 54 54 THR H H 54 7.485 7.485 7.760 -0.275 19904 313 1 1 . 1 1 55 55 TRP N N 55 125.280 125.280 126.005 -0.725 19904 314 1 1 . 1 1 55 55 TRP HA H 55 4.994 4.994 5.186 -0.192 19904 315 1 1 . 1 1 55 55 TRP C C 55 174.476 174.476 175.863 -1.387 19904 316 1 1 . 1 1 55 55 TRP CA C 55 55.069 55.069 56.407 -1.338 19904 317 1 1 . 1 1 55 55 TRP CB C 55 31.112 31.112 32.045 -0.933 19904 318 1 1 . 1 1 55 55 TRP H H 55 9.334 9.334 8.364 0.970 19904 319 1 1 . 1 1 56 56 SER N N 56 122.007 122.007 115.273 6.734 19904 320 1 1 . 1 1 56 56 SER HA H 56 4.681 4.681 4.847 -0.166 19904 321 1 1 . 1 1 56 56 SER C C 56 172.033 172.033 176.246 -4.213 19904 322 1 1 . 1 1 56 56 SER CA C 56 56.530 56.530 56.282 0.248 19904 323 1 1 . 1 1 56 56 SER CB C 56 65.129 65.129 65.137 -0.008 19904 324 1 1 . 1 1 56 56 SER H H 56 9.350 9.350 8.643 0.707 19904 325 1 1 . 1 1 57 57 LEU N N 57 123.899 123.899 122.538 1.361 19904 326 1 1 . 1 1 57 57 LEU HA H 57 3.895 3.895 5.020 -1.125 19904 327 1 1 . 1 1 57 57 LEU C C 57 175.734 175.734 178.337 -2.603 19904 328 1 1 . 1 1 57 57 LEU CA C 57 58.307 58.307 57.318 0.989 19904 329 1 1 . 1 1 57 57 LEU CB C 57 40.951 40.951 42.025 -1.074 19904 330 1 1 . 1 1 57 57 LEU H H 57 8.828 8.828 8.732 0.096 19904 331 1 1 . 1 1 58 58 ASP N N 58 115.249 115.249 118.131 -2.882 19904 332 1 1 . 1 1 58 58 ASP HA H 58 4.183 4.183 4.583 -0.400 19904 333 1 1 . 1 1 58 58 ASP C C 58 176.605 176.605 177.104 -0.499 19904 334 1 1 . 1 1 58 58 ASP CA C 58 57.043 57.043 56.195 0.848 19904 335 1 1 . 1 1 58 58 ASP CB C 58 40.308 40.308 40.968 -0.660 19904 336 1 1 . 1 1 58 58 ASP H H 58 8.229 8.229 8.343 -0.114 19904 337 1 1 . 1 1 59 59 GLU N N 59 118.743 118.743 119.871 -1.128 19904 338 1 1 . 1 1 59 59 GLU HA H 59 3.912 3.912 4.297 -0.385 19904 339 1 1 . 1 1 59 59 GLU C C 59 176.819 176.819 178.238 -1.419 19904 340 1 1 . 1 1 59 59 GLU CA C 59 58.459 58.459 58.706 -0.247 19904 341 1 1 . 1 1 59 59 GLU CB C 59 30.086 30.086 30.238 -0.152 19904 342 1 1 . 1 1 59 59 GLU H H 59 7.589 7.589 7.898 -0.309 19904 343 1 1 . 1 1 60 60 PHE N N 60 121.809 121.809 120.005 1.804 19904 344 1 1 . 1 1 60 60 PHE HA H 60 4.147 4.147 4.053 0.094 19904 345 1 1 . 1 1 60 60 PHE C C 60 174.448 174.448 177.814 -3.366 19904 346 1 1 . 1 1 60 60 PHE CA C 60 62.439 62.439 61.764 0.675 19904 347 1 1 . 1 1 60 60 PHE CB C 60 38.980 38.980 39.156 -0.176 19904 348 1 1 . 1 1 60 60 PHE H H 60 8.055 8.055 7.793 0.262 19904 349 1 1 . 1 1 61 61 VAL N N 61 118.759 118.759 115.392 3.367 19904 350 1 1 . 1 1 61 61 VAL HA H 61 3.465 3.465 3.601 -0.136 19904 351 1 1 . 1 1 61 61 VAL C C 61 175.119 175.119 177.882 -2.763 19904 352 1 1 . 1 1 61 61 VAL CA C 61 66.454 66.454 65.910 0.544 19904 353 1 1 . 1 1 61 61 VAL CB C 61 31.345 31.345 31.463 -0.118 19904 354 1 1 . 1 1 61 61 VAL H H 61 9.098 9.098 7.736 1.362 19904 355 1 1 . 1 1 62 62 GLN N N 62 117.732 117.732 117.939 -0.207 19904 356 1 1 . 1 1 62 62 GLN HA H 62 3.762 3.762 4.167 -0.405 19904 357 1 1 . 1 1 62 62 GLN C C 62 172.363 172.363 177.396 -5.033 19904 358 1 1 . 1 1 62 62 GLN CA C 62 59.025 59.025 58.077 0.948 19904 359 1 1 . 1 1 62 62 GLN CB C 62 27.967 27.967 28.796 -0.829 19904 360 1 1 . 1 1 62 62 GLN H H 62 7.462 7.462 7.852 -0.390 19904 361 1 1 . 1 1 63 63 VAL N N 63 113.433 113.433 117.972 -4.539 19904 362 1 1 . 1 1 63 63 VAL HA H 63 4.147 4.147 3.756 0.391 19904 363 1 1 . 1 1 63 63 VAL C C 63 176.157 176.157 177.565 -1.408 19904 364 1 1 . 1 1 63 63 VAL CA C 63 64.982 64.982 63.959 1.023 19904 365 1 1 . 1 1 63 63 VAL CB C 63 30.895 30.895 31.691 -0.796 19904 366 1 1 . 1 1 63 63 VAL H H 63 6.895 6.895 7.576 -0.681 19904 367 1 1 . 1 1 64 64 VAL N N 64 122.958 122.958 121.369 1.589 19904 368 1 1 . 1 1 64 64 VAL HA H 64 3.307 3.307 3.520 -0.213 19904 369 1 1 . 1 1 64 64 VAL C C 64 176.891 176.891 178.248 -1.357 19904 370 1 1 . 1 1 64 64 VAL CA C 64 66.872 66.872 66.292 0.580 19904 371 1 1 . 1 1 64 64 VAL CB C 64 31.240 31.240 31.452 -0.212 19904 372 1 1 . 1 1 64 64 VAL H H 64 7.908 7.908 8.079 -0.171 19904 373 1 1 . 1 1 65 65 ARG N N 65 118.898 118.898 117.660 1.238 19904 374 1 1 . 1 1 65 65 ARG HA H 65 3.754 3.754 4.133 -0.379 19904 375 1 1 . 1 1 65 65 ARG C C 65 175.082 175.082 177.116 -2.034 19904 376 1 1 . 1 1 65 65 ARG CA C 65 59.710 59.710 57.591 2.119 19904 377 1 1 . 1 1 65 65 ARG CB C 65 29.819 29.819 29.737 0.082 19904 378 1 1 . 1 1 65 65 ARG H H 65 8.459 8.459 7.271 1.188 19904 379 1 1 . 1 1 66 66 ASP N N 66 115.125 115.125 117.236 -2.111 19904 380 1 1 . 1 1 66 66 ASP HA H 66 4.326 4.326 4.316 0.010 19904 381 1 1 . 1 1 66 66 ASP C C 66 174.721 174.721 175.819 -1.098 19904 382 1 1 . 1 1 66 66 ASP CA C 66 55.771 55.771 56.063 -0.292 19904 383 1 1 . 1 1 66 66 ASP CB C 66 41.983 41.983 40.953 1.030 19904 384 1 1 . 1 1 66 66 ASP H H 66 7.446 7.446 8.066 -0.620 19904 385 1 1 . 1 1 67 67 PHE N N 67 111.221 111.221 117.000 -5.779 19904 386 1 1 . 1 1 67 67 PHE HA H 67 4.691 4.691 4.556 0.135 19904 387 1 1 . 1 1 67 67 PHE C C 67 174.114 174.114 175.915 -1.801 19904 388 1 1 . 1 1 67 67 PHE CA C 67 58.940 58.940 57.750 1.190 19904 389 1 1 . 1 1 67 67 PHE CB C 67 42.781 42.781 39.994 2.787 19904 390 1 1 . 1 1 67 67 PHE H H 67 8.044 8.044 7.161 0.883 19904 391 1 1 . 1 1 68 68 SER N N 68 110.726 110.726 117.979 -7.253 19904 392 1 1 . 1 1 68 68 SER HA H 68 4.313 4.313 4.455 -0.142 19904 393 1 1 . 1 1 68 68 SER C C 68 174.559 174.559 174.591 -0.032 19904 394 1 1 . 1 1 68 68 SER CA C 68 58.905 58.905 59.385 -0.480 19904 395 1 1 . 1 1 68 68 SER CB C 68 65.317 65.317 63.468 1.849 19904 396 1 1 . 1 1 68 68 SER H H 68 8.462 8.462 7.813 0.649 19904 397 1 1 . 1 1 69 69 GLU N N 69 126.213 126.213 128.258 -2.045 19904 398 1 1 . 1 1 69 69 GLU HA H 69 4.650 4.650 4.650 -0.000 19904 399 1 1 . 1 1 69 69 GLU C C 69 172.201 172.201 175.106 -2.905 19904 400 1 1 . 1 1 69 69 GLU CA C 69 55.493 55.493 54.867 0.626 19904 401 1 1 . 1 1 69 69 GLU CB C 69 29.575 29.575 30.644 -1.069 19904 402 1 1 . 1 1 69 69 GLU H H 69 9.298 9.298 8.088 1.210 19904 403 1 1 . 1 1 70 70 CYS N N 70 124.210 124.210 118.340 5.870 19904 404 1 1 . 1 1 70 70 CYS HA H 70 4.310 4.310 4.962 -0.652 19904 405 1 1 . 1 1 70 70 CYS C C 70 173.632 173.632 176.840 -3.208 19904 406 1 1 . 1 1 70 70 CYS CA C 70 58.718 58.718 56.502 2.216 19904 407 1 1 . 1 1 70 70 CYS CB C 70 30.055 30.055 31.216 -1.161 19904 408 1 1 . 1 1 70 70 CYS H H 70 7.610 7.610 7.958 -0.348 19904 409 1 1 . 1 1 71 71 GLY N N 71 118.767 118.767 108.938 9.829 19904 410 1 1 . 1 1 71 71 GLY C C 71 174.447 174.447 175.894 -1.447 19904 411 1 1 . 1 1 71 71 GLY CA C 71 47.313 47.313 46.733 0.580 19904 412 1 1 . 1 1 71 71 GLY H H 71 8.712 8.712 8.800 -0.088 19904 413 1 1 . 1 1 72 72 SER N N 72 123.624 123.624 115.698 7.926 19904 414 1 1 . 1 1 72 72 SER HA H 72 4.146 4.146 4.310 -0.164 19904 415 1 1 . 1 1 72 72 SER C C 72 175.737 175.737 175.173 0.564 19904 416 1 1 . 1 1 72 72 SER CA C 72 61.353 61.353 58.771 2.582 19904 417 1 1 . 1 1 72 72 SER CB C 72 62.668 62.668 62.585 0.083 19904 418 1 1 . 1 1 72 72 SER H H 72 10.436 10.436 8.053 2.383 19904 419 1 1 . 1 1 73 73 ALA N N 73 128.994 128.994 126.134 2.860 19904 420 1 1 . 1 1 73 73 ALA HA H 73 3.991 3.991 4.052 -0.061 19904 421 1 1 . 1 1 73 73 ALA C C 73 176.885 176.885 178.792 -1.907 19904 422 1 1 . 1 1 73 73 ALA CA C 73 55.115 55.115 55.178 -0.063 19904 423 1 1 . 1 1 73 73 ALA CB C 73 18.363 18.363 18.198 0.165 19904 424 1 1 . 1 1 73 73 ALA H H 73 8.480 8.480 8.565 -0.085 19904 425 1 1 . 1 1 74 74 LYS N N 74 119.815 119.815 118.444 1.371 19904 426 1 1 . 1 1 74 74 LYS HA H 74 4.146 4.146 4.028 0.118 19904 427 1 1 . 1 1 74 74 LYS C C 74 173.942 173.942 177.786 -3.844 19904 428 1 1 . 1 1 74 74 LYS CA C 74 58.981 58.981 58.663 0.318 19904 429 1 1 . 1 1 74 74 LYS CB C 74 32.424 32.424 32.607 -0.183 19904 430 1 1 . 1 1 74 74 LYS H H 74 8.043 8.043 7.775 0.268 19904 431 1 1 . 1 1 75 75 ARG N N 75 118.332 118.332 115.624 2.708 19904 432 1 1 . 1 1 75 75 ARG HA H 75 4.742 4.742 4.542 0.200 19904 433 1 1 . 1 1 75 75 ARG C C 75 173.269 173.269 175.442 -2.173 19904 434 1 1 . 1 1 75 75 ARG CA C 75 54.048 54.048 54.953 -0.905 19904 435 1 1 . 1 1 75 75 ARG CB C 75 28.796 28.796 29.884 -1.088 19904 436 1 1 . 1 1 75 75 ARG H H 75 7.536 7.536 7.888 -0.352 19904 437 1 1 . 1 1 76 76 ASP N N 76 115.890 115.890 118.366 -2.476 19904 438 1 1 . 1 1 76 76 ASP HA H 76 4.310 4.310 4.293 0.017 19904 439 1 1 . 1 1 76 76 ASP C C 76 169.530 169.530 175.771 -6.241 19904 440 1 1 . 1 1 76 76 ASP CA C 76 56.876 56.876 55.622 1.254 19904 441 1 1 . 1 1 76 76 ASP CB C 76 39.268 39.268 38.252 1.016 19904 442 1 1 . 1 1 76 76 ASP H H 76 7.601 7.601 8.553 -0.952 19904 443 1 1 . 1 1 77 77 GLY N N 77 100.656 100.656 104.023 -3.367 19904 444 1 1 . 1 1 77 77 GLY C C 77 170.735 170.735 173.571 -2.836 19904 445 1 1 . 1 1 77 77 GLY CA C 77 56.712 56.712 45.985 10.727 19904 446 1 1 . 1 1 77 77 GLY H H 77 8.218 8.218 7.958 0.260 19904 447 1 1 . 1 1 78 78 ASP N N 78 118.744 118.744 119.366 -0.622 19904 448 1 1 . 1 1 78 78 ASP HA H 78 3.085 3.085 5.092 -2.007 19904 449 1 1 . 1 1 78 78 ASP C C 78 173.696 173.696 175.803 -2.107 19904 450 1 1 . 1 1 78 78 ASP CA C 78 54.461 54.461 53.623 0.838 19904 451 1 1 . 1 1 78 78 ASP CB C 78 41.330 41.330 41.978 -0.648 19904 452 1 1 . 1 1 78 78 ASP H H 78 6.679 6.679 7.617 -0.938 19904 453 1 1 . 1 1 79 79 LEU N N 79 127.557 127.557 125.095 2.462 19904 454 1 1 . 1 1 79 79 LEU HA H 79 4.333 4.333 4.690 -0.357 19904 455 1 1 . 1 1 79 79 LEU C C 79 175.311 175.311 177.306 -1.995 19904 456 1 1 . 1 1 79 79 LEU CA C 79 54.093 54.093 54.618 -0.525 19904 457 1 1 . 1 1 79 79 LEU CB C 79 41.896 41.896 41.948 -0.052 19904 458 1 1 . 1 1 79 79 LEU H H 79 8.837 8.837 8.216 0.621 19904 459 1 1 . 1 1 80 80 GLY N N 80 109.745 109.745 110.884 -1.139 19904 460 1 1 . 1 1 80 80 GLY C C 80 169.506 169.506 174.046 -4.540 19904 461 1 1 . 1 1 80 80 GLY CA C 80 44.467 44.467 44.002 0.465 19904 462 1 1 . 1 1 80 80 GLY H H 80 8.744 8.744 8.355 0.389 19904 463 1 1 . 1 1 81 81 MET N N 81 118.177 118.177 118.617 -0.440 19904 464 1 1 . 1 1 81 81 MET HA H 81 4.560 4.560 4.303 0.257 19904 465 1 1 . 1 1 81 81 MET C C 81 173.929 173.929 175.720 -1.791 19904 466 1 1 . 1 1 81 81 MET CA C 81 53.095 53.095 56.219 -3.124 19904 467 1 1 . 1 1 81 81 MET CB C 81 29.720 29.720 31.700 -1.980 19904 468 1 1 . 1 1 81 81 MET H H 81 7.894 7.894 8.177 -0.283 19904 469 1 1 . 1 1 82 82 VAL N N 82 129.209 129.209 124.261 4.948 19904 470 1 1 . 1 1 82 82 VAL HA H 82 4.257 4.257 4.501 -0.244 19904 471 1 1 . 1 1 82 82 VAL C C 82 172.520 172.520 174.261 -1.741 19904 472 1 1 . 1 1 82 82 VAL CA C 82 61.786 61.786 60.264 1.522 19904 473 1 1 . 1 1 82 82 VAL CB C 82 33.979 33.979 34.855 -0.876 19904 474 1 1 . 1 1 82 82 VAL H H 82 9.085 9.085 8.864 0.221 19904 475 1 1 . 1 1 83 83 GLU N N 83 125.940 125.940 127.082 -1.142 19904 476 1 1 . 1 1 83 83 GLU HA H 83 4.949 4.949 4.954 -0.005 19904 477 1 1 . 1 1 83 83 GLU C C 83 175.328 175.328 176.240 -0.912 19904 478 1 1 . 1 1 83 83 GLU CA C 83 54.236 54.236 54.200 0.036 19904 479 1 1 . 1 1 83 83 GLU CB C 83 31.344 31.344 32.960 -1.616 19904 480 1 1 . 1 1 83 83 GLU H H 83 8.608 8.608 8.691 -0.083 19904 481 1 1 . 1 1 84 84 SER N N 84 121.587 121.587 122.247 -0.660 19904 482 1 1 . 1 1 84 84 SER HA H 84 4.009 4.009 3.594 0.415 19904 483 1 1 . 1 1 84 84 SER C C 84 172.341 172.341 175.044 -2.703 19904 484 1 1 . 1 1 84 84 SER CA C 84 59.451 59.451 60.039 -0.588 19904 485 1 1 . 1 1 84 84 SER CB C 84 62.340 62.340 62.846 -0.506 19904 486 1 1 . 1 1 84 84 SER H H 84 8.737 8.737 8.244 0.493 19904 487 1 1 . 1 1 85 85 GLY N N 85 114.678 114.678 115.538 -0.860 19904 488 1 1 . 1 1 85 85 GLY C C 85 172.501 172.501 175.212 -2.711 19904 489 1 1 . 1 1 85 85 GLY CA C 85 45.190 45.190 45.211 -0.021 19904 490 1 1 . 1 1 85 85 GLY H H 85 10.247 10.247 8.347 1.900 19904 491 1 1 . 1 1 86 86 THR N N 86 117.468 117.468 116.067 1.401 19904 492 1 1 . 1 1 86 86 THR HA H 86 4.026 4.026 3.981 0.045 19904 493 1 1 . 1 1 86 86 THR C C 86 172.415 172.415 175.802 -3.387 19904 494 1 1 . 1 1 86 86 THR CA C 86 64.666 64.666 64.972 -0.306 19904 495 1 1 . 1 1 86 86 THR CB C 86 69.421 69.421 69.245 0.176 19904 496 1 1 . 1 1 86 86 THR H H 86 8.398 8.398 7.969 0.429 19904 497 1 1 . 1 1 87 87 TYR N N 87 123.120 123.120 121.805 1.315 19904 498 1 1 . 1 1 87 87 TYR HA H 87 4.355 4.355 4.214 0.141 19904 499 1 1 . 1 1 87 87 TYR C C 87 172.035 172.035 175.639 -3.604 19904 500 1 1 . 1 1 87 87 TYR CA C 87 57.361 57.361 58.874 -1.513 19904 501 1 1 . 1 1 87 87 TYR CB C 87 38.651 38.651 38.722 -0.071 19904 502 1 1 . 1 1 87 87 TYR H H 87 8.869 8.869 8.494 0.375 19904 503 1 1 . 1 1 88 88 THR N N 88 109.212 109.212 110.977 -1.765 19904 504 1 1 . 1 1 88 88 THR HA H 88 4.304 4.304 4.314 -0.010 19904 505 1 1 . 1 1 88 88 THR C C 88 172.134 172.134 174.217 -2.083 19904 506 1 1 . 1 1 88 88 THR CA C 88 61.468 61.468 61.151 0.317 19904 507 1 1 . 1 1 88 88 THR CB C 88 70.553 70.553 70.148 0.405 19904 508 1 1 . 1 1 88 88 THR H H 88 7.339 7.339 8.021 -0.682 19904 509 1 1 . 1 1 89 89 GLU N N 89 122.460 122.460 119.965 2.495 19904 510 1 1 . 1 1 89 89 GLU HA H 89 4.058 4.058 4.007 0.051 19904 511 1 1 . 1 1 89 89 GLU C C 89 175.844 175.844 177.597 -1.753 19904 512 1 1 . 1 1 89 89 GLU CA C 89 59.853 59.853 58.465 1.388 19904 513 1 1 . 1 1 89 89 GLU CB C 89 29.322 29.322 29.789 -0.467 19904 514 1 1 . 1 1 89 89 GLU H H 89 8.819 8.819 8.434 0.385 19904 515 1 1 . 1 1 90 90 GLY N N 90 107.861 107.861 113.420 -5.559 19904 516 1 1 . 1 1 90 90 GLY C C 90 172.835 172.835 174.334 -1.499 19904 517 1 1 . 1 1 90 90 GLY CA C 90 46.411 46.411 45.545 0.866 19904 518 1 1 . 1 1 90 90 GLY H H 90 8.734 8.734 9.104 -0.370 19904 519 1 1 . 1 1 91 91 PHE N N 91 120.792 120.792 122.741 -1.949 19904 520 1 1 . 1 1 91 91 PHE HA H 91 3.691 3.691 4.405 -0.714 19904 521 1 1 . 1 1 91 91 PHE C C 91 173.756 173.756 175.272 -1.516 19904 522 1 1 . 1 1 91 91 PHE CA C 91 60.625 60.625 60.615 0.010 19904 523 1 1 . 1 1 91 91 PHE CB C 91 39.869 39.869 40.168 -0.299 19904 524 1 1 . 1 1 91 91 PHE H H 91 7.392 7.392 7.363 0.029 19904 525 1 1 . 1 1 92 92 ASP N N 92 119.990 119.990 118.320 1.670 19904 526 1 1 . 1 1 92 92 ASP HA H 92 4.473 4.473 4.658 -0.185 19904 527 1 1 . 1 1 92 92 ASP C C 92 176.108 176.108 178.214 -2.106 19904 528 1 1 . 1 1 92 92 ASP CA C 92 57.792 57.792 57.039 0.753 19904 529 1 1 . 1 1 92 92 ASP CB C 92 40.222 40.222 40.028 0.194 19904 530 1 1 . 1 1 92 92 ASP H H 92 8.339 8.339 8.207 0.132 19904 531 1 1 . 1 1 93 93 THR N N 93 114.592 114.592 113.508 1.084 19904 532 1 1 . 1 1 93 93 THR HA H 93 3.807 3.807 4.158 -0.351 19904 533 1 1 . 1 1 93 93 THR C C 93 173.478 173.478 175.380 -1.902 19904 534 1 1 . 1 1 93 93 THR CA C 93 66.000 66.000 65.212 0.788 19904 535 1 1 . 1 1 93 93 THR CB C 93 68.763 68.763 68.935 -0.172 19904 536 1 1 . 1 1 93 93 THR H H 93 8.609 8.609 8.197 0.412 19904 537 1 1 . 1 1 94 94 VAL N N 94 118.669 118.669 121.386 -2.717 19904 538 1 1 . 1 1 94 94 VAL HA H 94 3.688 3.688 3.987 -0.299 19904 539 1 1 . 1 1 94 94 VAL C C 94 176.137 176.137 177.097 -0.960 19904 540 1 1 . 1 1 94 94 VAL CA C 94 64.692 64.692 63.596 1.095 19904 541 1 1 . 1 1 94 94 VAL CB C 94 32.207 32.207 31.449 0.758 19904 542 1 1 . 1 1 94 94 VAL H H 94 6.772 6.772 7.332 -0.560 19904 543 1 1 . 1 1 95 95 ALA N N 95 123.356 123.356 122.905 0.451 19904 544 1 1 . 1 1 95 95 ALA HA H 95 3.128 3.128 3.798 -0.670 19904 545 1 1 . 1 1 95 95 ALA C C 95 177.254 177.254 177.927 -0.673 19904 546 1 1 . 1 1 95 95 ALA CA C 95 55.202 55.202 54.617 0.585 19904 547 1 1 . 1 1 95 95 ALA CB C 95 17.905 17.905 18.143 -0.238 19904 548 1 1 . 1 1 95 95 ALA H H 95 8.890 8.890 7.991 0.899 19904 549 1 1 . 1 1 96 96 PHE N N 96 111.667 111.667 112.954 -1.287 19904 550 1 1 . 1 1 96 96 PHE HA H 96 4.170 4.170 4.549 -0.379 19904 551 1 1 . 1 1 96 96 PHE C C 96 171.898 171.898 176.496 -4.598 19904 552 1 1 . 1 1 96 96 PHE CA C 96 61.633 61.633 58.629 3.004 19904 553 1 1 . 1 1 96 96 PHE CB C 96 36.448 36.448 39.005 -2.558 19904 554 1 1 . 1 1 96 96 PHE H H 96 8.431 8.431 7.811 0.620 19904 555 1 1 . 1 1 97 97 SER N N 97 113.144 113.144 114.881 -1.737 19904 556 1 1 . 1 1 97 97 SER HA H 97 4.635 4.635 4.530 0.105 19904 557 1 1 . 1 1 97 97 SER C C 97 172.020 172.020 174.775 -2.755 19904 558 1 1 . 1 1 97 97 SER CA C 97 58.521 58.521 59.488 -0.967 19904 559 1 1 . 1 1 97 97 SER CB C 97 64.820 64.820 64.356 0.464 19904 560 1 1 . 1 1 97 97 SER H H 97 7.348 7.348 7.825 -0.477 19904 561 1 1 . 1 1 98 98 LEU N N 98 121.390 121.390 120.377 1.013 19904 562 1 1 . 1 1 98 98 LEU HA H 98 4.131 4.131 4.156 -0.025 19904 563 1 1 . 1 1 98 98 LEU C C 98 175.754 175.754 176.448 -0.694 19904 564 1 1 . 1 1 98 98 LEU CA C 98 55.059 55.059 55.320 -0.261 19904 565 1 1 . 1 1 98 98 LEU CB C 98 42.757 42.757 41.930 0.827 19904 566 1 1 . 1 1 98 98 LEU H H 98 6.790 6.790 7.806 -1.016 19904 567 1 1 . 1 1 99 99 LYS N N 99 124.409 124.409 119.027 5.382 19904 568 1 1 . 1 1 99 99 LYS HA H 99 4.245 4.245 4.345 -0.100 19904 569 1 1 . 1 1 99 99 LYS C C 99 173.517 173.517 176.170 -2.653 19904 570 1 1 . 1 1 99 99 LYS CA C 99 55.439 55.439 55.037 0.402 19904 571 1 1 . 1 1 99 99 LYS CB C 99 32.792 32.792 34.025 -1.233 19904 572 1 1 . 1 1 99 99 LYS H H 99 9.086 9.086 8.330 0.756 19904 573 1 1 . 1 1 100 100 SER N N 100 115.642 115.642 115.998 -0.356 19904 574 1 1 . 1 1 100 100 SER HA H 100 3.294 3.294 4.200 -0.906 19904 575 1 1 . 1 1 100 100 SER C C 100 172.722 172.722 175.245 -2.523 19904 576 1 1 . 1 1 100 100 SER CA C 100 60.816 60.816 59.605 1.211 19904 577 1 1 . 1 1 100 100 SER CB C 100 62.342 62.342 62.989 -0.647 19904 578 1 1 . 1 1 100 100 SER H H 100 8.469 8.469 8.350 0.119 19904 579 1 1 . 1 1 101 101 GLY N N 101 114.871 114.871 111.997 2.874 19904 580 1 1 . 1 1 101 101 GLY C C 101 169.465 169.465 173.377 -3.912 19904 581 1 1 . 1 1 101 101 GLY CA C 101 45.415 45.415 45.588 -0.173 19904 582 1 1 . 1 1 101 101 GLY H H 101 8.486 8.486 8.631 -0.145 19904 583 1 1 . 1 1 102 102 GLU N N 102 119.387 119.387 117.986 1.401 19904 584 1 1 . 1 1 102 102 GLU HA H 102 4.742 4.742 5.027 -0.285 19904 585 1 1 . 1 1 102 102 GLU C C 102 171.675 171.675 174.727 -3.052 19904 586 1 1 . 1 1 102 102 GLU CA C 102 55.276 55.276 54.361 0.915 19904 587 1 1 . 1 1 102 102 GLU CB C 102 32.307 32.307 34.230 -1.923 19904 588 1 1 . 1 1 102 102 GLU H H 102 7.594 7.594 7.590 0.004 19904 589 1 1 . 1 1 103 103 VAL N N 103 119.700 119.700 122.732 -3.032 19904 590 1 1 . 1 1 103 103 VAL HA H 103 4.836 4.836 4.229 0.607 19904 591 1 1 . 1 1 103 103 VAL C C 103 173.611 173.611 175.985 -2.374 19904 592 1 1 . 1 1 103 103 VAL CA C 103 58.953 58.953 61.700 -2.747 19904 593 1 1 . 1 1 103 103 VAL CB C 103 33.653 33.653 33.046 0.607 19904 594 1 1 . 1 1 103 103 VAL H H 103 7.884 7.884 8.699 -0.815 19904 595 1 1 . 1 1 104 104 SER N N 104 123.705 123.705 122.551 1.154 19904 596 1 1 . 1 1 104 104 SER HA H 104 4.045 4.045 4.340 -0.295 19904 597 1 1 . 1 1 104 104 SER C C 104 170.420 170.420 174.161 -3.741 19904 598 1 1 . 1 1 104 104 SER CA C 104 58.515 58.515 58.697 -0.181 19904 599 1 1 . 1 1 104 104 SER CB C 104 66.400 66.400 63.958 2.442 19904 600 1 1 . 1 1 104 104 SER H H 104 9.056 9.056 8.558 0.498 19904 601 1 1 . 1 1 105 105 ALA N N 105 117.355 117.355 123.549 -6.194 19904 602 1 1 . 1 1 105 105 ALA HA H 105 4.395 4.395 4.382 0.013 19904 603 1 1 . 1 1 105 105 ALA C C 105 172.593 172.593 175.857 -3.264 19904 604 1 1 . 1 1 105 105 ALA CA C 105 51.112 51.112 50.911 0.201 19904 605 1 1 . 1 1 105 105 ALA CB C 105 16.566 16.566 18.316 -1.750 19904 606 1 1 . 1 1 105 105 ALA H H 105 7.269 7.269 8.304 -1.035 19904 607 1 1 . 1 1 106 106 PRO HA H 106 4.684 4.684 4.332 0.352 19904 608 1 1 . 1 1 106 106 PRO C C 106 174.527 174.527 175.685 -1.158 19904 609 1 1 . 1 1 106 106 PRO CA C 106 63.191 63.191 62.780 0.411 19904 610 1 1 . 1 1 106 106 PRO CB C 106 30.197 30.197 30.564 -0.367 19904 611 1 1 . 1 1 107 107 VAL N N 107 124.996 124.996 124.742 0.254 19904 612 1 1 . 1 1 107 107 VAL HA H 107 4.410 4.410 4.037 0.373 19904 613 1 1 . 1 1 107 107 VAL C C 107 171.642 171.642 175.512 -3.870 19904 614 1 1 . 1 1 107 107 VAL CA C 107 60.030 60.030 63.251 -3.221 19904 615 1 1 . 1 1 107 107 VAL CB C 107 34.707 34.707 32.880 1.827 19904 616 1 1 . 1 1 107 107 VAL H H 107 8.969 8.969 7.919 1.050 19904 617 1 1 . 1 1 108 108 GLU N N 108 128.257 128.257 126.878 1.379 19904 618 1 1 . 1 1 108 108 GLU HA H 108 5.188 5.188 5.107 0.081 19904 619 1 1 . 1 1 108 108 GLU C C 108 173.786 173.786 175.507 -1.721 19904 620 1 1 . 1 1 108 108 GLU CA C 108 56.033 56.033 55.507 0.526 19904 621 1 1 . 1 1 108 108 GLU CB C 108 31.648 31.648 32.736 -1.088 19904 622 1 1 . 1 1 108 108 GLU H H 108 8.971 8.971 8.689 0.282 19904 623 1 1 . 1 1 109 109 THR N N 109 115.774 115.774 119.567 -3.793 19904 624 1 1 . 1 1 109 109 THR HA H 109 4.828 4.828 4.717 0.111 19904 625 1 1 . 1 1 109 109 THR C C 109 173.458 173.458 174.512 -1.054 19904 626 1 1 . 1 1 109 109 THR CA C 109 61.175 61.175 59.767 1.407 19904 627 1 1 . 1 1 109 109 THR CB C 109 72.651 72.651 70.030 2.621 19904 628 1 1 . 1 1 109 109 THR H H 109 9.378 9.378 8.656 0.722 19904 629 1 1 . 1 1 110 110 GLU N N 110 118.681 118.681 120.850 -2.169 19904 630 1 1 . 1 1 110 110 GLU HA H 110 4.354 4.354 4.148 0.206 19904 631 1 1 . 1 1 110 110 GLU C C 110 174.619 174.619 177.317 -2.698 19904 632 1 1 . 1 1 110 110 GLU CA C 110 58.130 58.130 58.715 -0.585 19904 633 1 1 . 1 1 110 110 GLU CB C 110 28.500 28.500 29.270 -0.770 19904 634 1 1 . 1 1 110 110 GLU H H 110 9.445 9.445 8.819 0.626 19904 635 1 1 . 1 1 111 111 LEU N N 111 118.396 118.396 117.984 0.412 19904 636 1 1 . 1 1 111 111 LEU HA H 111 4.235 4.235 4.334 -0.099 19904 637 1 1 . 1 1 111 111 LEU C C 111 173.650 173.650 177.432 -3.782 19904 638 1 1 . 1 1 111 111 LEU CA C 111 55.074 55.074 55.826 -0.752 19904 639 1 1 . 1 1 111 111 LEU CB C 111 41.376 41.376 42.704 -1.328 19904 640 1 1 . 1 1 111 111 LEU H H 111 8.849 8.849 7.921 0.928 19904 641 1 1 . 1 1 112 112 GLY N N 112 103.523 103.523 102.003 1.520 19904 642 1 1 . 1 1 112 112 GLY C C 112 166.641 166.641 171.906 -5.265 19904 643 1 1 . 1 1 112 112 GLY CA C 112 43.820 43.820 45.217 -1.397 19904 644 1 1 . 1 1 112 112 GLY H H 112 7.437 7.437 7.745 -0.308 19904 645 1 1 . 1 1 113 113 VAL N N 113 121.766 121.766 121.659 0.107 19904 646 1 1 . 1 1 113 113 VAL HA H 113 4.636 4.636 4.917 -0.281 19904 647 1 1 . 1 1 113 113 VAL C C 113 171.516 171.516 175.657 -4.141 19904 648 1 1 . 1 1 113 113 VAL CA C 113 61.125 61.125 61.852 -0.727 19904 649 1 1 . 1 1 113 113 VAL CB C 113 32.510 32.510 32.129 0.381 19904 650 1 1 . 1 1 113 113 VAL H H 113 8.870 8.870 7.919 0.951 19904 651 1 1 . 1 1 114 114 HIS N N 114 125.383 125.383 127.414 -2.031 19904 652 1 1 . 1 1 114 114 HIS HA H 114 5.669 5.669 5.579 0.090 19904 653 1 1 . 1 1 114 114 HIS C C 114 174.524 174.524 173.831 0.693 19904 654 1 1 . 1 1 114 114 HIS CA C 114 53.960 53.960 54.371 -0.411 19904 655 1 1 . 1 1 114 114 HIS CB C 114 30.978 30.978 33.040 -2.062 19904 656 1 1 . 1 1 114 114 HIS H H 114 9.850 9.850 9.262 0.588 19904 657 1 1 . 1 1 115 115 LEU N N 115 117.609 117.609 124.286 -6.677 19904 658 1 1 . 1 1 115 115 LEU HA H 115 4.330 4.330 4.720 -0.390 19904 659 1 1 . 1 1 115 115 LEU C C 115 172.779 172.779 175.279 -2.500 19904 660 1 1 . 1 1 115 115 LEU CA C 115 54.545 54.545 54.335 0.210 19904 661 1 1 . 1 1 115 115 LEU CB C 115 43.651 43.651 44.505 -0.854 19904 662 1 1 . 1 1 115 115 LEU H H 115 8.459 8.459 8.279 0.180 19904 663 1 1 . 1 1 116 116 ILE N N 116 124.233 124.233 124.412 -0.179 19904 664 1 1 . 1 1 116 116 ILE HA H 116 4.391 4.391 4.750 -0.359 19904 665 1 1 . 1 1 116 116 ILE C C 116 169.528 169.528 174.240 -4.712 19904 666 1 1 . 1 1 116 116 ILE CA C 116 60.408 60.408 59.528 0.880 19904 667 1 1 . 1 1 116 116 ILE CB C 116 40.360 40.360 39.898 0.463 19904 668 1 1 . 1 1 116 116 ILE H H 116 8.597 8.597 8.192 0.405 19904 669 1 1 . 1 1 117 117 TYR N N 117 126.661 126.661 121.980 4.681 19904 670 1 1 . 1 1 117 117 TYR HA H 117 5.020 5.020 4.931 0.089 19904 671 1 1 . 1 1 117 117 TYR C C 117 171.915 171.915 172.573 -0.658 19904 672 1 1 . 1 1 117 117 TYR CA C 117 54.073 54.073 55.574 -1.501 19904 673 1 1 . 1 1 117 117 TYR CB C 117 40.842 40.842 41.337 -0.495 19904 674 1 1 . 1 1 117 117 TYR H H 117 8.646 8.646 7.635 1.011 19904 675 1 1 . 1 1 118 118 ARG N N 118 126.514 126.514 122.729 3.785 19904 676 1 1 . 1 1 118 118 ARG HA H 118 4.686 4.686 4.266 0.420 19904 677 1 1 . 1 1 118 118 ARG C C 118 171.048 171.048 173.808 -2.760 19904 678 1 1 . 1 1 118 118 ARG CA C 118 54.269 54.269 54.590 -0.321 19904 679 1 1 . 1 1 118 118 ARG CB C 118 30.628 30.628 31.713 -1.085 19904 680 1 1 . 1 1 118 118 ARG H H 118 7.162 7.162 7.914 -0.752 19904 681 1 1 . 1 1 119 119 VAL N N 119 124.856 124.856 124.217 0.639 19904 682 1 1 . 1 1 119 119 VAL HA H 119 3.446 3.446 4.077 -0.631 19904 683 1 1 . 1 1 119 119 VAL C C 119 171.576 171.576 175.312 -3.736 19904 684 1 1 . 1 1 119 119 VAL CA C 119 62.315 62.315 59.439 2.876 19904 685 1 1 . 1 1 119 119 VAL CB C 119 32.676 32.676 35.298 -2.622 19904 686 1 1 . 1 1 119 119 VAL H H 119 7.418 7.418 7.913 -0.495 19904 687 1 2 . 1 1 2 2 THR N N 2 114.985 114.985 112.172 2.813 19904 688 1 2 . 1 1 2 2 THR HA H 2 4.233 4.233 4.731 -0.498 19904 689 1 2 . 1 1 2 2 THR C C 2 170.697 170.697 172.807 -2.110 19904 690 1 2 . 1 1 2 2 THR CA C 2 61.775 61.775 61.166 0.610 19904 691 1 2 . 1 1 2 2 THR CB C 2 69.429 69.429 70.882 -1.453 19904 692 1 2 . 1 1 2 2 THR H H 2 8.140 8.140 8.038 0.102 19904 693 1 2 . 1 1 3 3 GLU N N 3 121.736 121.736 121.189 0.547 19904 694 1 2 . 1 1 3 3 GLU HA H 3 5.206 5.206 5.389 -0.183 19904 695 1 2 . 1 1 3 3 GLU C C 3 173.028 173.028 175.412 -2.384 19904 696 1 2 . 1 1 3 3 GLU CA C 3 54.900 54.900 54.898 0.002 19904 697 1 2 . 1 1 3 3 GLU CB C 3 31.659 31.659 32.172 -0.513 19904 698 1 2 . 1 1 3 3 GLU H H 3 8.108 8.108 8.633 -0.525 19904 699 1 2 . 1 1 4 4 ARG N N 4 120.713 120.713 123.619 -2.906 19904 700 1 2 . 1 1 4 4 ARG HA H 4 4.360 4.360 4.541 -0.181 19904 701 1 2 . 1 1 4 4 ARG C C 4 170.103 170.103 173.442 -3.339 19904 702 1 2 . 1 1 4 4 ARG CA C 4 53.816 53.816 53.524 0.292 19904 703 1 2 . 1 1 4 4 ARG CB C 4 35.162 35.162 34.032 1.130 19904 704 1 2 . 1 1 4 4 ARG H H 4 8.309 8.309 8.411 -0.102 19904 705 1 2 . 1 1 5 5 HIS N N 5 121.423 121.423 116.758 4.665 19904 706 1 2 . 1 1 5 5 HIS HA H 5 5.197 5.197 4.617 0.580 19904 707 1 2 . 1 1 5 5 HIS C C 5 170.917 170.917 173.190 -2.273 19904 708 1 2 . 1 1 5 5 HIS CA C 5 52.151 52.151 54.205 -2.054 19904 709 1 2 . 1 1 5 5 HIS CB C 5 29.920 29.920 30.360 -0.440 19904 710 1 2 . 1 1 5 5 HIS H H 5 8.591 8.591 7.796 0.795 19904 711 1 2 . 1 1 6 6 PHE N N 6 122.961 122.961 118.905 4.056 19904 712 1 2 . 1 1 6 6 PHE HA H 6 6.042 6.042 4.464 1.578 19904 713 1 2 . 1 1 6 6 PHE C C 6 171.599 171.599 173.064 -1.465 19904 714 1 2 . 1 1 6 6 PHE CA C 6 55.284 55.284 54.680 0.604 19904 715 1 2 . 1 1 6 6 PHE CB C 6 43.276 43.276 39.913 3.363 19904 716 1 2 . 1 1 6 6 PHE H H 6 7.523 7.523 7.832 -0.309 19904 717 1 2 . 1 1 7 7 TYR N N 7 119.822 119.822 117.030 2.792 19904 718 1 2 . 1 1 7 7 TYR HA H 7 5.692 5.692 5.180 0.512 19904 719 1 2 . 1 1 7 7 TYR C C 7 173.785 173.785 174.719 -0.934 19904 720 1 2 . 1 1 7 7 TYR CA C 7 55.865 55.865 56.588 -0.723 19904 721 1 2 . 1 1 7 7 TYR CB C 7 44.067 44.067 41.186 2.881 19904 722 1 2 . 1 1 7 7 TYR H H 7 9.313 9.313 8.161 1.152 19904 723 1 2 . 1 1 8 8 HIS N N 8 114.648 114.648 116.658 -2.010 19904 724 1 2 . 1 1 8 8 HIS HA H 8 6.178 6.178 5.737 0.441 19904 725 1 2 . 1 1 8 8 HIS C C 8 170.959 170.959 174.021 -3.062 19904 726 1 2 . 1 1 8 8 HIS CA C 8 54.875 54.875 53.555 1.320 19904 727 1 2 . 1 1 8 8 HIS CB C 8 36.453 36.453 33.982 2.471 19904 728 1 2 . 1 1 8 8 HIS H H 8 9.369 9.369 8.586 0.783 19904 729 1 2 . 1 1 9 9 VAL N N 9 120.650 120.650 118.820 1.830 19904 730 1 2 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.929 -0.368 19904 731 1 2 . 1 1 9 9 VAL C C 9 170.078 170.078 174.059 -3.981 19904 732 1 2 . 1 1 9 9 VAL CA C 9 61.367 61.367 61.153 0.214 19904 733 1 2 . 1 1 9 9 VAL CB C 9 34.926 34.926 33.671 1.255 19904 734 1 2 . 1 1 9 9 VAL H H 9 8.936 8.936 8.058 0.878 19904 735 1 2 . 1 1 10 10 LEU N N 10 125.870 125.870 129.699 -3.829 19904 736 1 2 . 1 1 10 10 LEU HA H 10 4.614 4.614 4.897 -0.283 19904 737 1 2 . 1 1 10 10 LEU C C 10 171.186 171.186 174.901 -3.715 19904 738 1 2 . 1 1 10 10 LEU CA C 10 52.217 52.217 53.578 -1.361 19904 739 1 2 . 1 1 10 10 LEU CB C 10 46.523 46.523 43.701 2.822 19904 740 1 2 . 1 1 10 10 LEU H H 10 7.452 7.452 8.784 -1.332 19904 741 1 2 . 1 1 11 11 VAL N N 11 128.355 128.355 126.197 2.158 19904 742 1 2 . 1 1 11 11 VAL HA H 11 4.086 4.086 4.416 -0.330 19904 743 1 2 . 1 1 11 11 VAL C C 11 173.155 173.155 174.573 -1.418 19904 744 1 2 . 1 1 11 11 VAL CA C 11 61.124 61.124 61.364 -0.240 19904 745 1 2 . 1 1 11 11 VAL CB C 11 32.522 32.522 33.258 -0.736 19904 746 1 2 . 1 1 11 11 VAL H H 11 9.422 9.422 8.614 0.808 19904 747 1 2 . 1 1 12 12 LYS N N 12 123.610 123.610 128.457 -4.847 19904 748 1 2 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.505 -0.290 19904 749 1 2 . 1 1 12 12 LYS C C 12 170.645 170.645 175.290 -4.645 19904 750 1 2 . 1 1 12 12 LYS CA C 12 56.259 56.259 55.783 0.476 19904 751 1 2 . 1 1 12 12 LYS CB C 12 34.702 34.702 34.936 -0.234 19904 752 1 2 . 1 1 12 12 LYS H H 12 9.071 9.071 8.799 0.272 19904 753 1 2 . 1 1 13 13 HIS N N 13 110.414 110.414 115.377 -4.963 19904 754 1 2 . 1 1 13 13 HIS HA H 13 4.396 4.396 4.758 -0.362 19904 755 1 2 . 1 1 13 13 HIS C C 13 172.651 172.651 174.651 -2.000 19904 756 1 2 . 1 1 13 13 HIS CA C 13 54.368 54.368 55.664 -1.296 19904 757 1 2 . 1 1 13 13 HIS CB C 13 33.731 33.731 32.517 1.214 19904 758 1 2 . 1 1 13 13 HIS H H 13 6.186 6.186 8.178 -1.992 19904 759 1 2 . 1 1 14 14 LYS N N 14 115.373 115.373 120.950 -5.577 19904 760 1 2 . 1 1 14 14 LYS HA H 14 4.074 4.074 3.985 0.089 19904 761 1 2 . 1 1 14 14 LYS C C 14 172.860 172.860 176.632 -3.772 19904 762 1 2 . 1 1 14 14 LYS CA C 14 58.131 58.131 57.365 0.766 19904 763 1 2 . 1 1 14 14 LYS CB C 14 32.074 32.074 31.801 0.273 19904 764 1 2 . 1 1 14 14 LYS H H 14 9.074 9.074 8.189 0.885 19904 765 1 2 . 1 1 15 15 ASP N N 15 119.786 119.786 117.985 1.801 19904 766 1 2 . 1 1 15 15 ASP HA H 15 5.117 5.117 4.566 0.551 19904 767 1 2 . 1 1 15 15 ASP C C 15 173.969 173.969 177.052 -3.083 19904 768 1 2 . 1 1 15 15 ASP CA C 15 54.644 54.644 54.203 0.441 19904 769 1 2 . 1 1 15 15 ASP CB C 15 41.772 41.772 41.519 0.253 19904 770 1 2 . 1 1 15 15 ASP H H 15 8.951 8.951 7.183 1.768 19904 771 1 2 . 1 1 16 16 VAL N N 16 113.297 113.297 116.913 -3.616 19904 772 1 2 . 1 1 16 16 VAL HA H 16 4.353 4.353 4.090 0.263 19904 773 1 2 . 1 1 16 16 VAL C C 16 172.635 172.635 176.107 -3.472 19904 774 1 2 . 1 1 16 16 VAL CA C 16 60.510 60.510 61.455 -0.945 19904 775 1 2 . 1 1 16 16 VAL CB C 16 31.450 31.450 32.251 -0.801 19904 776 1 2 . 1 1 16 16 VAL H H 16 6.826 6.826 7.462 -0.636 19904 777 1 2 . 1 1 17 17 ARG N N 17 119.898 119.898 120.128 -0.230 19904 778 1 2 . 1 1 17 17 ARG HA H 17 3.990 3.990 4.184 -0.194 19904 779 1 2 . 1 1 17 17 ARG C C 17 174.690 174.690 176.917 -2.227 19904 780 1 2 . 1 1 17 17 ARG CA C 17 58.501 58.501 58.386 0.115 19904 781 1 2 . 1 1 17 17 ARG CB C 17 29.664 29.664 30.497 -0.833 19904 782 1 2 . 1 1 17 17 ARG H H 17 8.305 8.305 8.521 -0.216 19904 783 1 2 . 1 1 18 18 ARG N N 18 116.580 116.580 117.485 -0.905 19904 784 1 2 . 1 1 18 18 ARG HA H 18 4.643 4.643 4.775 -0.132 19904 785 1 2 . 1 1 18 18 ARG C C 18 171.330 171.330 174.330 -3.000 19904 786 1 2 . 1 1 18 18 ARG CA C 18 53.059 53.059 53.812 -0.753 19904 787 1 2 . 1 1 18 18 ARG CB C 18 29.538 29.538 30.054 -0.516 19904 788 1 2 . 1 1 18 18 ARG H H 18 8.304 8.304 8.304 -0.000 19904 789 1 2 . 1 1 19 19 PRO HA H 19 4.177 4.177 4.617 -0.440 19904 790 1 2 . 1 1 19 19 PRO C C 19 171.575 171.575 177.337 -5.762 19904 791 1 2 . 1 1 19 19 PRO CA C 19 62.693 62.693 63.736 -1.043 19904 792 1 2 . 1 1 19 19 PRO CB C 19 27.756 27.756 32.123 -4.367 19904 793 1 2 . 1 1 20 20 SER N N 20 119.112 119.112 114.827 4.285 19904 794 1 2 . 1 1 20 20 SER HA H 20 5.172 5.172 4.452 0.720 19904 795 1 2 . 1 1 20 20 SER C C 20 171.036 171.036 174.006 -2.970 19904 796 1 2 . 1 1 20 20 SER CA C 20 56.630 56.630 58.850 -2.220 19904 797 1 2 . 1 1 20 20 SER CB C 20 65.310 65.310 64.089 1.221 19904 798 1 2 . 1 1 20 20 SER H H 20 8.587 8.587 8.167 0.420 19904 799 1 2 . 1 1 21 21 SER N N 21 116.758 116.758 118.998 -2.240 19904 800 1 2 . 1 1 21 21 SER HA H 21 4.448 4.448 4.645 -0.197 19904 801 1 2 . 1 1 21 21 SER C C 21 173.204 173.204 172.947 0.257 19904 802 1 2 . 1 1 21 21 SER CA C 21 57.984 57.984 57.427 0.557 19904 803 1 2 . 1 1 21 21 SER CB C 21 63.579 63.579 62.979 0.600 19904 804 1 2 . 1 1 21 21 SER H H 21 9.000 9.000 8.414 0.586 19904 805 1 2 . 1 1 22 22 LEU N N 22 129.332 129.332 125.554 3.778 19904 806 1 2 . 1 1 22 22 LEU HA H 22 4.560 4.560 4.538 0.022 19904 807 1 2 . 1 1 22 22 LEU C C 22 172.591 172.591 176.066 -3.475 19904 808 1 2 . 1 1 22 22 LEU CA C 22 53.332 53.332 52.532 0.800 19904 809 1 2 . 1 1 22 22 LEU CB C 22 41.996 41.996 39.594 2.401 19904 810 1 2 . 1 1 22 22 LEU H H 22 8.292 8.292 8.580 -0.288 19904 811 1 2 . 1 1 23 23 ALA N N 23 125.266 125.266 126.552 -1.286 19904 812 1 2 . 1 1 23 23 ALA HA H 23 4.174 4.174 4.832 -0.658 19904 813 1 2 . 1 1 23 23 ALA C C 23 176.009 176.009 175.921 0.088 19904 814 1 2 . 1 1 23 23 ALA CA C 23 50.357 50.357 49.700 0.657 19904 815 1 2 . 1 1 23 23 ALA CB C 23 18.298 18.298 19.432 -1.134 19904 816 1 2 . 1 1 23 23 ALA H H 23 7.521 7.521 7.587 -0.066 19904 817 1 2 . 1 1 24 24 PRO HA H 24 4.406 4.406 4.426 -0.020 19904 818 1 2 . 1 1 24 24 PRO C C 24 175.951 175.951 177.223 -1.272 19904 819 1 2 . 1 1 24 24 PRO CA C 24 64.918 64.918 64.498 0.421 19904 820 1 2 . 1 1 24 24 PRO CB C 24 31.480 31.480 32.219 -0.739 19904 821 1 2 . 1 1 25 25 ARG N N 25 113.570 113.570 116.612 -3.042 19904 822 1 2 . 1 1 25 25 ARG HA H 25 3.997 3.997 4.414 -0.417 19904 823 1 2 . 1 1 25 25 ARG C C 25 173.076 173.076 176.573 -3.497 19904 824 1 2 . 1 1 25 25 ARG CA C 25 57.993 57.993 56.617 1.376 19904 825 1 2 . 1 1 25 25 ARG CB C 25 29.623 29.623 30.192 -0.569 19904 826 1 2 . 1 1 25 25 ARG H H 25 7.997 7.997 8.285 -0.288 19904 827 1 2 . 1 1 26 26 ASN N N 26 118.698 118.698 116.830 1.868 19904 828 1 2 . 1 1 26 26 ASN HA H 26 4.684 4.684 4.797 -0.113 19904 829 1 2 . 1 1 26 26 ASN C C 26 171.211 171.211 173.890 -2.679 19904 830 1 2 . 1 1 26 26 ASN CA C 26 51.481 51.481 52.294 -0.813 19904 831 1 2 . 1 1 26 26 ASN CB C 26 36.343 36.343 39.550 -3.207 19904 832 1 2 . 1 1 26 26 ASN H H 26 7.314 7.314 8.172 -0.858 19904 833 1 2 . 1 1 27 27 LYS N N 27 122.069 122.069 119.719 2.350 19904 834 1 2 . 1 1 27 27 LYS HA H 27 3.545 3.545 4.201 -0.656 19904 835 1 2 . 1 1 27 27 LYS C C 27 175.308 175.308 177.681 -2.373 19904 836 1 2 . 1 1 27 27 LYS CA C 27 58.932 58.932 58.200 0.732 19904 837 1 2 . 1 1 27 27 LYS CB C 27 32.223 32.223 32.152 0.071 19904 838 1 2 . 1 1 27 27 LYS H H 27 6.739 6.739 7.779 -1.040 19904 839 1 2 . 1 1 28 28 GLY N N 28 115.186 115.186 109.825 5.361 19904 840 1 2 . 1 1 28 28 GLY C C 28 172.044 172.044 173.478 -1.434 19904 841 1 2 . 1 1 28 28 GLY CA C 28 44.167 44.167 44.928 -0.761 19904 842 1 2 . 1 1 28 28 GLY H H 28 9.170 9.170 8.765 0.405 19904 843 1 2 . 1 1 29 29 GLU N N 29 123.612 123.612 121.717 1.895 19904 844 1 2 . 1 1 29 29 GLU HA H 29 3.988 3.988 4.419 -0.431 19904 845 1 2 . 1 1 29 29 GLU C C 29 173.511 173.511 174.992 -1.481 19904 846 1 2 . 1 1 29 29 GLU CA C 29 57.456 57.456 55.404 2.053 19904 847 1 2 . 1 1 29 29 GLU CB C 29 29.848 29.848 31.032 -1.184 19904 848 1 2 . 1 1 29 29 GLU H H 29 8.247 8.247 7.702 0.545 19904 849 1 2 . 1 1 30 30 LYS N N 30 127.143 127.143 124.137 3.006 19904 850 1 2 . 1 1 30 30 LYS HA H 30 4.136 4.136 4.567 -0.431 19904 851 1 2 . 1 1 30 30 LYS C C 30 173.356 173.356 175.599 -2.243 19904 852 1 2 . 1 1 30 30 LYS CA C 30 57.006 57.006 55.273 1.733 19904 853 1 2 . 1 1 30 30 LYS CB C 30 32.352 32.352 35.494 -3.142 19904 854 1 2 . 1 1 30 30 LYS H H 30 8.580 8.580 8.464 0.116 19904 855 1 2 . 1 1 31 31 ILE N N 31 125.431 125.431 124.618 0.813 19904 856 1 2 . 1 1 31 31 ILE HA H 31 4.126 4.126 4.216 -0.090 19904 857 1 2 . 1 1 31 31 ILE C C 31 172.968 172.968 176.372 -3.404 19904 858 1 2 . 1 1 31 31 ILE CA C 31 58.365 58.365 61.784 -3.419 19904 859 1 2 . 1 1 31 31 ILE CB C 31 35.846 35.846 38.027 -2.181 19904 860 1 2 . 1 1 31 31 ILE H H 31 8.136 8.136 8.565 -0.429 19904 861 1 2 . 1 1 32 32 THR N N 32 116.000 116.000 120.828 -4.828 19904 862 1 2 . 1 1 32 32 THR HA H 32 4.391 4.391 4.425 -0.034 19904 863 1 2 . 1 1 32 32 THR C C 32 172.242 172.242 174.866 -2.624 19904 864 1 2 . 1 1 32 32 THR CA C 32 60.626 60.626 61.067 -0.441 19904 865 1 2 . 1 1 32 32 THR CB C 32 69.692 69.692 69.109 0.583 19904 866 1 2 . 1 1 32 32 THR H H 32 8.501 8.501 8.618 -0.117 19904 867 1 2 . 1 1 33 33 ARG N N 33 122.696 122.696 120.997 1.699 19904 868 1 2 . 1 1 33 33 ARG HA H 33 4.516 4.516 4.304 0.212 19904 869 1 2 . 1 1 33 33 ARG C C 33 171.016 171.016 175.642 -4.626 19904 870 1 2 . 1 1 33 33 ARG CA C 33 55.200 55.200 56.581 -1.381 19904 871 1 2 . 1 1 33 33 ARG CB C 33 29.990 29.990 30.870 -0.880 19904 872 1 2 . 1 1 33 33 ARG H H 33 7.156 7.156 7.953 -0.797 19904 873 1 2 . 1 1 34 34 SER N N 34 117.773 117.773 112.610 5.163 19904 874 1 2 . 1 1 34 34 SER HA H 34 4.536 4.536 5.004 -0.468 19904 875 1 2 . 1 1 34 34 SER C C 34 172.654 172.654 175.987 -3.333 19904 876 1 2 . 1 1 34 34 SER CA C 34 57.072 57.072 55.613 1.459 19904 877 1 2 . 1 1 34 34 SER CB C 34 65.763 65.763 64.921 0.842 19904 878 1 2 . 1 1 34 34 SER H H 34 9.144 9.144 8.442 0.702 19904 879 1 2 . 1 1 35 35 ARG N N 35 122.568 122.568 121.005 1.563 19904 880 1 2 . 1 1 35 35 ARG HA H 35 3.362 3.362 3.979 -0.617 19904 881 1 2 . 1 1 35 35 ARG C C 35 174.904 174.904 177.909 -3.005 19904 882 1 2 . 1 1 35 35 ARG CA C 35 60.234 60.234 59.690 0.544 19904 883 1 2 . 1 1 35 35 ARG CB C 35 29.363 29.363 29.465 -0.102 19904 884 1 2 . 1 1 35 35 ARG H H 35 8.904 8.904 8.791 0.113 19904 885 1 2 . 1 1 36 36 ALA N N 36 120.049 120.049 120.533 -0.484 19904 886 1 2 . 1 1 36 36 ALA HA H 36 3.861 3.861 4.069 -0.208 19904 887 1 2 . 1 1 36 36 ALA C C 36 177.495 177.495 179.473 -1.978 19904 888 1 2 . 1 1 36 36 ALA CA C 36 54.849 54.849 54.480 0.369 19904 889 1 2 . 1 1 36 36 ALA CB C 36 17.598 17.598 18.107 -0.509 19904 890 1 2 . 1 1 36 36 ALA H H 36 8.120 8.120 8.334 -0.214 19904 891 1 2 . 1 1 37 37 ASP N N 37 118.222 118.222 119.157 -0.935 19904 892 1 2 . 1 1 37 37 ASP HA H 37 4.313 4.313 4.453 -0.140 19904 893 1 2 . 1 1 37 37 ASP C C 37 176.547 176.547 178.116 -1.569 19904 894 1 2 . 1 1 37 37 ASP CA C 37 56.653 56.653 57.033 -0.380 19904 895 1 2 . 1 1 37 37 ASP CB C 37 40.656 40.656 41.220 -0.564 19904 896 1 2 . 1 1 37 37 ASP H H 37 7.877 7.877 7.965 -0.088 19904 897 1 2 . 1 1 38 38 ALA N N 38 124.726 124.726 123.218 1.508 19904 898 1 2 . 1 1 38 38 ALA HA H 38 3.928 3.928 4.001 -0.073 19904 899 1 2 . 1 1 38 38 ALA C C 38 175.791 175.791 179.561 -3.770 19904 900 1 2 . 1 1 38 38 ALA CA C 38 55.163 55.163 55.223 -0.060 19904 901 1 2 . 1 1 38 38 ALA CB C 38 18.040 18.040 18.387 -0.347 19904 902 1 2 . 1 1 38 38 ALA H H 38 8.269 8.269 7.540 0.729 19904 903 1 2 . 1 1 39 39 ILE N N 39 119.010 119.010 117.799 1.211 19904 904 1 2 . 1 1 39 39 ILE HA H 39 3.476 3.476 3.514 -0.038 19904 905 1 2 . 1 1 39 39 ILE C C 39 175.129 175.129 178.045 -2.916 19904 906 1 2 . 1 1 39 39 ILE CA C 39 65.121 65.121 66.064 -0.943 19904 907 1 2 . 1 1 39 39 ILE CB C 39 37.411 37.411 37.667 -0.256 19904 908 1 2 . 1 1 39 39 ILE H H 39 7.974 7.974 7.849 0.125 19904 909 1 2 . 1 1 40 40 ASN N N 40 117.393 117.393 117.154 0.239 19904 910 1 2 . 1 1 40 40 ASN HA H 40 4.332 4.332 4.480 -0.148 19904 911 1 2 . 1 1 40 40 ASN C C 40 175.608 175.608 177.484 -1.876 19904 912 1 2 . 1 1 40 40 ASN CA C 40 55.865 55.865 55.852 0.013 19904 913 1 2 . 1 1 40 40 ASN CB C 40 37.589 37.589 38.634 -1.045 19904 914 1 2 . 1 1 40 40 ASN H H 40 8.122 8.122 7.633 0.489 19904 915 1 2 . 1 1 41 41 LEU N N 41 123.846 123.846 122.209 1.637 19904 916 1 2 . 1 1 41 41 LEU HA H 41 4.127 4.127 3.680 0.447 19904 917 1 2 . 1 1 41 41 LEU C C 41 175.147 175.147 177.448 -2.301 19904 918 1 2 . 1 1 41 41 LEU CA C 41 57.816 57.816 57.855 -0.039 19904 919 1 2 . 1 1 41 41 LEU CB C 41 41.589 41.589 41.419 0.170 19904 920 1 2 . 1 1 41 41 LEU H H 41 8.220 8.220 7.378 0.842 19904 921 1 2 . 1 1 42 42 ALA N N 42 120.677 120.677 119.878 0.799 19904 922 1 2 . 1 1 42 42 ALA HA H 42 3.763 3.763 3.711 0.052 19904 923 1 2 . 1 1 42 42 ALA C C 42 176.512 176.512 179.704 -3.192 19904 924 1 2 . 1 1 42 42 ALA CA C 42 55.411 55.411 55.353 0.058 19904 925 1 2 . 1 1 42 42 ALA CB C 42 17.619 17.619 18.122 -0.503 19904 926 1 2 . 1 1 42 42 ALA H H 42 7.959 7.959 7.654 0.305 19904 927 1 2 . 1 1 43 43 GLN N N 43 114.196 114.196 116.916 -2.720 19904 928 1 2 . 1 1 43 43 GLN HA H 43 3.963 3.963 4.020 -0.057 19904 929 1 2 . 1 1 43 43 GLN C C 43 176.189 176.189 178.482 -2.293 19904 930 1 2 . 1 1 43 43 GLN CA C 43 58.629 58.629 58.405 0.224 19904 931 1 2 . 1 1 43 43 GLN CB C 43 27.777 27.777 28.645 -0.868 19904 932 1 2 . 1 1 43 43 GLN H H 43 8.275 8.275 7.627 0.648 19904 933 1 2 . 1 1 44 44 ALA N N 44 124.632 124.632 122.471 2.161 19904 934 1 2 . 1 1 44 44 ALA HA H 44 4.092 4.092 4.021 0.071 19904 935 1 2 . 1 1 44 44 ALA C C 44 178.108 178.108 179.180 -1.072 19904 936 1 2 . 1 1 44 44 ALA CA C 44 54.752 54.752 54.624 0.128 19904 937 1 2 . 1 1 44 44 ALA CB C 44 17.241 17.241 18.475 -1.234 19904 938 1 2 . 1 1 44 44 ALA H H 44 8.134 8.134 7.784 0.350 19904 939 1 2 . 1 1 45 45 ILE N N 45 120.659 120.659 118.603 2.056 19904 940 1 2 . 1 1 45 45 ILE HA H 45 3.323 3.323 3.673 -0.350 19904 941 1 2 . 1 1 45 45 ILE C C 45 176.240 176.240 178.442 -2.202 19904 942 1 2 . 1 1 45 45 ILE CA C 45 65.254 65.254 65.403 -0.148 19904 943 1 2 . 1 1 45 45 ILE CB C 45 37.531 37.531 38.050 -0.519 19904 944 1 2 . 1 1 45 45 ILE H H 45 7.970 7.970 8.046 -0.076 19904 945 1 2 . 1 1 46 46 LEU N N 46 117.950 117.950 118.004 -0.054 19904 946 1 2 . 1 1 46 46 LEU HA H 46 4.223 4.223 4.326 -0.103 19904 947 1 2 . 1 1 46 46 LEU C C 46 177.868 177.868 177.711 0.157 19904 948 1 2 . 1 1 46 46 LEU CA C 46 57.585 57.585 57.922 -0.337 19904 949 1 2 . 1 1 46 46 LEU CB C 46 41.627 41.627 41.126 0.501 19904 950 1 2 . 1 1 46 46 LEU H H 46 7.360 7.360 7.524 -0.164 19904 951 1 2 . 1 1 47 47 ALA N N 47 120.942 120.942 118.929 2.013 19904 952 1 2 . 1 1 47 47 ALA HA H 47 4.072 4.072 4.319 -0.247 19904 953 1 2 . 1 1 47 47 ALA C C 47 176.501 176.501 179.355 -2.854 19904 954 1 2 . 1 1 47 47 ALA CA C 47 53.869 53.869 53.235 0.634 19904 955 1 2 . 1 1 47 47 ALA CB C 47 17.600 17.600 17.962 -0.362 19904 956 1 2 . 1 1 47 47 ALA H H 47 8.135 8.135 7.159 0.976 19904 957 1 2 . 1 1 48 48 GLN N N 48 116.773 116.773 118.257 -1.484 19904 958 1 2 . 1 1 48 48 GLN HA H 48 3.947 3.947 4.178 -0.231 19904 959 1 2 . 1 1 48 48 GLN C C 48 173.703 173.703 176.890 -3.187 19904 960 1 2 . 1 1 48 48 GLN CA C 48 57.455 57.455 57.639 -0.184 19904 961 1 2 . 1 1 48 48 GLN CB C 48 27.999 27.999 28.684 -0.685 19904 962 1 2 . 1 1 48 48 GLN H H 48 7.615 7.615 8.178 -0.563 19904 963 1 2 . 1 1 49 49 HIS N N 49 116.736 116.736 116.497 0.239 19904 964 1 2 . 1 1 49 49 HIS HA H 49 4.686 4.686 4.529 0.157 19904 965 1 2 . 1 1 49 49 HIS C C 49 172.191 172.191 173.871 -1.680 19904 966 1 2 . 1 1 49 49 HIS CA C 49 53.597 53.597 52.338 1.259 19904 967 1 2 . 1 1 49 49 HIS CB C 49 28.298 28.298 26.978 1.320 19904 968 1 2 . 1 1 49 49 HIS H H 49 7.373 7.373 7.709 -0.336 19904 969 1 2 . 1 1 50 50 LYS N N 50 119.417 119.417 123.066 -3.649 19904 970 1 2 . 1 1 50 50 LYS HA H 50 4.048 4.048 4.071 -0.023 19904 971 1 2 . 1 1 50 50 LYS C C 50 174.041 174.041 176.653 -2.612 19904 972 1 2 . 1 1 50 50 LYS CA C 50 58.207 58.207 57.736 0.471 19904 973 1 2 . 1 1 50 50 LYS CB C 50 31.869 31.869 31.699 0.170 19904 974 1 2 . 1 1 50 50 LYS H H 50 7.494 7.494 7.566 -0.072 19904 975 1 2 . 1 1 51 51 GLU N N 51 117.754 117.754 118.950 -1.196 19904 976 1 2 . 1 1 51 51 GLU HA H 51 4.097 4.097 3.912 0.185 19904 977 1 2 . 1 1 51 51 GLU C C 51 173.337 173.337 175.481 -2.144 19904 978 1 2 . 1 1 51 51 GLU CA C 51 57.273 57.273 57.321 -0.048 19904 979 1 2 . 1 1 51 51 GLU CB C 51 28.391 28.391 27.575 0.816 19904 980 1 2 . 1 1 51 51 GLU H H 51 8.916 8.916 8.462 0.454 19904 981 1 2 . 1 1 52 52 ARG N N 52 118.808 118.808 116.267 2.541 19904 982 1 2 . 1 1 52 52 ARG HA H 52 4.511 4.511 4.429 0.082 19904 983 1 2 . 1 1 52 52 ARG C C 52 172.824 172.824 173.397 -0.573 19904 984 1 2 . 1 1 52 52 ARG CA C 52 55.657 55.657 54.917 0.740 19904 985 1 2 . 1 1 52 52 ARG CB C 52 31.484 31.484 31.585 -0.101 19904 986 1 2 . 1 1 52 52 ARG H H 52 7.708 7.708 7.581 0.127 19904 987 1 2 . 1 1 53 53 LYS N N 53 121.953 121.953 120.760 1.193 19904 988 1 2 . 1 1 53 53 LYS HA H 53 4.502 4.502 4.778 -0.276 19904 989 1 2 . 1 1 53 53 LYS C C 53 173.892 173.892 174.742 -0.850 19904 990 1 2 . 1 1 53 53 LYS CA C 53 56.580 56.580 56.709 -0.129 19904 991 1 2 . 1 1 53 53 LYS CB C 53 32.659 32.659 33.344 -0.685 19904 992 1 2 . 1 1 53 53 LYS H H 53 8.698 8.698 8.307 0.391 19904 993 1 2 . 1 1 54 54 THR N N 54 109.590 109.590 114.157 -4.567 19904 994 1 2 . 1 1 54 54 THR HA H 54 4.925 4.925 5.148 -0.223 19904 995 1 2 . 1 1 54 54 THR C C 54 171.619 171.619 173.508 -1.889 19904 996 1 2 . 1 1 54 54 THR CA C 54 59.929 59.929 61.768 -1.839 19904 997 1 2 . 1 1 54 54 THR CB C 54 70.010 70.010 70.648 -0.638 19904 998 1 2 . 1 1 54 54 THR H H 54 7.485 7.485 7.773 -0.288 19904 999 1 2 . 1 1 55 55 TRP N N 55 125.280 125.280 127.477 -2.197 19904 1000 1 2 . 1 1 55 55 TRP HA H 55 4.994 4.994 4.865 0.129 19904 1001 1 2 . 1 1 55 55 TRP C C 55 174.476 174.476 175.807 -1.331 19904 1002 1 2 . 1 1 55 55 TRP CA C 55 55.069 55.069 56.521 -1.452 19904 1003 1 2 . 1 1 55 55 TRP CB C 55 31.112 31.112 31.424 -0.312 19904 1004 1 2 . 1 1 55 55 TRP H H 55 9.334 9.334 8.281 1.053 19904 1005 1 2 . 1 1 56 56 SER N N 56 122.007 122.007 116.479 5.528 19904 1006 1 2 . 1 1 56 56 SER HA H 56 4.681 4.681 4.858 -0.177 19904 1007 1 2 . 1 1 56 56 SER C C 56 172.033 172.033 175.914 -3.881 19904 1008 1 2 . 1 1 56 56 SER CA C 56 56.530 56.530 57.265 -0.735 19904 1009 1 2 . 1 1 56 56 SER CB C 56 65.129 65.129 65.123 0.006 19904 1010 1 2 . 1 1 56 56 SER H H 56 9.350 9.350 8.510 0.840 19904 1011 1 2 . 1 1 57 57 LEU N N 57 123.899 123.899 123.999 -0.100 19904 1012 1 2 . 1 1 57 57 LEU HA H 57 3.895 3.895 5.054 -1.159 19904 1013 1 2 . 1 1 57 57 LEU C C 57 175.734 175.734 178.915 -3.181 19904 1014 1 2 . 1 1 57 57 LEU CA C 57 58.307 58.307 57.952 0.355 19904 1015 1 2 . 1 1 57 57 LEU CB C 57 40.951 40.951 41.910 -0.959 19904 1016 1 2 . 1 1 57 57 LEU H H 57 8.828 8.828 8.716 0.112 19904 1017 1 2 . 1 1 58 58 ASP N N 58 115.249 115.249 117.650 -2.401 19904 1018 1 2 . 1 1 58 58 ASP HA H 58 4.183 4.183 4.601 -0.418 19904 1019 1 2 . 1 1 58 58 ASP C C 58 176.605 176.605 177.353 -0.748 19904 1020 1 2 . 1 1 58 58 ASP CA C 58 57.043 57.043 56.522 0.521 19904 1021 1 2 . 1 1 58 58 ASP CB C 58 40.308 40.308 40.917 -0.609 19904 1022 1 2 . 1 1 58 58 ASP H H 58 8.229 8.229 8.553 -0.324 19904 1023 1 2 . 1 1 59 59 GLU N N 59 118.743 118.743 119.744 -1.001 19904 1024 1 2 . 1 1 59 59 GLU HA H 59 3.912 3.912 4.289 -0.377 19904 1025 1 2 . 1 1 59 59 GLU C C 59 176.819 176.819 178.173 -1.354 19904 1026 1 2 . 1 1 59 59 GLU CA C 59 58.459 58.459 58.706 -0.247 19904 1027 1 2 . 1 1 59 59 GLU CB C 59 30.086 30.086 30.248 -0.162 19904 1028 1 2 . 1 1 59 59 GLU H H 59 7.589 7.589 7.910 -0.322 19904 1029 1 2 . 1 1 60 60 PHE N N 60 121.809 121.809 120.051 1.758 19904 1030 1 2 . 1 1 60 60 PHE HA H 60 4.147 4.147 4.047 0.100 19904 1031 1 2 . 1 1 60 60 PHE C C 60 174.448 174.448 177.783 -3.335 19904 1032 1 2 . 1 1 60 60 PHE CA C 60 62.439 62.439 61.751 0.688 19904 1033 1 2 . 1 1 60 60 PHE CB C 60 38.980 38.980 39.141 -0.161 19904 1034 1 2 . 1 1 60 60 PHE H H 60 8.055 8.055 7.793 0.262 19904 1035 1 2 . 1 1 61 61 VAL N N 61 118.759 118.759 115.234 3.525 19904 1036 1 2 . 1 1 61 61 VAL HA H 61 3.465 3.465 3.623 -0.158 19904 1037 1 2 . 1 1 61 61 VAL C C 61 175.119 175.119 177.911 -2.792 19904 1038 1 2 . 1 1 61 61 VAL CA C 61 66.454 66.454 65.829 0.625 19904 1039 1 2 . 1 1 61 61 VAL CB C 61 31.345 31.345 31.501 -0.156 19904 1040 1 2 . 1 1 61 61 VAL H H 61 9.098 9.098 7.734 1.364 19904 1041 1 2 . 1 1 62 62 GLN N N 62 117.732 117.732 116.907 0.825 19904 1042 1 2 . 1 1 62 62 GLN HA H 62 3.762 3.762 4.209 -0.447 19904 1043 1 2 . 1 1 62 62 GLN C C 62 172.363 172.363 177.290 -4.927 19904 1044 1 2 . 1 1 62 62 GLN CA C 62 59.025 59.025 57.388 1.637 19904 1045 1 2 . 1 1 62 62 GLN CB C 62 27.967 27.967 28.983 -1.016 19904 1046 1 2 . 1 1 62 62 GLN H H 62 7.462 7.462 7.816 -0.354 19904 1047 1 2 . 1 1 63 63 VAL N N 63 113.433 113.433 116.661 -3.228 19904 1048 1 2 . 1 1 63 63 VAL HA H 63 4.147 4.147 3.777 0.370 19904 1049 1 2 . 1 1 63 63 VAL C C 63 176.157 176.157 177.183 -1.026 19904 1050 1 2 . 1 1 63 63 VAL CA C 63 64.982 64.982 63.178 1.804 19904 1051 1 2 . 1 1 63 63 VAL CB C 63 30.895 30.895 31.600 -0.705 19904 1052 1 2 . 1 1 63 63 VAL H H 63 6.895 6.895 7.386 -0.491 19904 1053 1 2 . 1 1 64 64 VAL N N 64 122.958 122.958 120.654 2.304 19904 1054 1 2 . 1 1 64 64 VAL HA H 64 3.307 3.307 3.569 -0.262 19904 1055 1 2 . 1 1 64 64 VAL C C 64 176.891 176.891 178.248 -1.357 19904 1056 1 2 . 1 1 64 64 VAL CA C 64 66.872 66.872 66.422 0.450 19904 1057 1 2 . 1 1 64 64 VAL CB C 64 31.240 31.240 31.382 -0.142 19904 1058 1 2 . 1 1 64 64 VAL H H 64 7.908 7.908 8.109 -0.201 19904 1059 1 2 . 1 1 65 65 ARG N N 65 118.898 118.898 119.018 -0.120 19904 1060 1 2 . 1 1 65 65 ARG HA H 65 3.754 3.754 4.035 -0.281 19904 1061 1 2 . 1 1 65 65 ARG C C 65 175.082 175.082 176.448 -1.366 19904 1062 1 2 . 1 1 65 65 ARG CA C 65 59.710 59.710 58.056 1.654 19904 1063 1 2 . 1 1 65 65 ARG CB C 65 29.819 29.819 30.011 -0.192 19904 1064 1 2 . 1 1 65 65 ARG H H 65 8.459 8.459 7.254 1.205 19904 1065 1 2 . 1 1 66 66 ASP N N 66 115.125 115.125 115.982 -0.857 19904 1066 1 2 . 1 1 66 66 ASP HA H 66 4.326 4.326 4.325 0.001 19904 1067 1 2 . 1 1 66 66 ASP C C 66 174.721 174.721 175.546 -0.825 19904 1068 1 2 . 1 1 66 66 ASP CA C 66 55.771 55.771 54.677 1.094 19904 1069 1 2 . 1 1 66 66 ASP CB C 66 41.983 41.983 40.570 1.413 19904 1070 1 2 . 1 1 66 66 ASP H H 66 7.446 7.446 7.842 -0.396 19904 1071 1 2 . 1 1 67 67 PHE N N 67 111.221 111.221 116.756 -5.535 19904 1072 1 2 . 1 1 67 67 PHE HA H 67 4.691 4.691 4.583 0.108 19904 1073 1 2 . 1 1 67 67 PHE C C 67 174.114 174.114 175.844 -1.730 19904 1074 1 2 . 1 1 67 67 PHE CA C 67 58.940 58.940 57.371 1.569 19904 1075 1 2 . 1 1 67 67 PHE CB C 67 42.781 42.781 40.562 2.219 19904 1076 1 2 . 1 1 67 67 PHE H H 67 8.044 8.044 7.094 0.950 19904 1077 1 2 . 1 1 68 68 SER N N 68 110.726 110.726 117.100 -6.374 19904 1078 1 2 . 1 1 68 68 SER HA H 68 4.313 4.313 4.394 -0.081 19904 1079 1 2 . 1 1 68 68 SER C C 68 174.559 174.559 174.673 -0.114 19904 1080 1 2 . 1 1 68 68 SER CA C 68 58.905 58.905 59.515 -0.610 19904 1081 1 2 . 1 1 68 68 SER CB C 68 65.317 65.317 63.501 1.816 19904 1082 1 2 . 1 1 68 68 SER H H 68 8.462 8.462 7.786 0.676 19904 1083 1 2 . 1 1 69 69 GLU N N 69 126.213 126.213 128.453 -2.240 19904 1084 1 2 . 1 1 69 69 GLU HA H 69 4.650 4.650 4.609 0.041 19904 1085 1 2 . 1 1 69 69 GLU C C 69 172.201 172.201 174.992 -2.791 19904 1086 1 2 . 1 1 69 69 GLU CA C 69 55.493 55.493 55.307 0.186 19904 1087 1 2 . 1 1 69 69 GLU CB C 69 29.575 29.575 30.438 -0.863 19904 1088 1 2 . 1 1 69 69 GLU H H 69 9.298 9.298 8.339 0.959 19904 1089 1 2 . 1 1 70 70 CYS N N 70 124.210 124.210 118.709 5.501 19904 1090 1 2 . 1 1 70 70 CYS HA H 70 4.310 4.310 4.851 -0.541 19904 1091 1 2 . 1 1 70 70 CYS C C 70 173.632 173.632 176.783 -3.151 19904 1092 1 2 . 1 1 70 70 CYS CA C 70 58.718 58.718 56.665 2.053 19904 1093 1 2 . 1 1 70 70 CYS CB C 70 30.055 30.055 31.186 -1.131 19904 1094 1 2 . 1 1 70 70 CYS H H 70 7.610 7.610 8.032 -0.422 19904 1095 1 2 . 1 1 71 71 GLY N N 71 118.767 118.767 108.934 9.833 19904 1096 1 2 . 1 1 71 71 GLY C C 71 174.447 174.447 175.846 -1.399 19904 1097 1 2 . 1 1 71 71 GLY CA C 71 47.313 47.313 46.560 0.753 19904 1098 1 2 . 1 1 71 71 GLY H H 71 8.712 8.712 8.732 -0.020 19904 1099 1 2 . 1 1 72 72 SER N N 72 123.624 123.624 115.870 7.754 19904 1100 1 2 . 1 1 72 72 SER HA H 72 4.146 4.146 4.304 -0.158 19904 1101 1 2 . 1 1 72 72 SER C C 72 175.737 175.737 175.205 0.532 19904 1102 1 2 . 1 1 72 72 SER CA C 72 61.353 61.353 58.851 2.502 19904 1103 1 2 . 1 1 72 72 SER CB C 72 62.668 62.668 62.665 0.003 19904 1104 1 2 . 1 1 72 72 SER H H 72 10.436 10.436 8.046 2.390 19904 1105 1 2 . 1 1 73 73 ALA N N 73 128.994 128.994 125.833 3.161 19904 1106 1 2 . 1 1 73 73 ALA HA H 73 3.991 3.991 4.029 -0.038 19904 1107 1 2 . 1 1 73 73 ALA C C 73 176.885 176.885 179.191 -2.306 19904 1108 1 2 . 1 1 73 73 ALA CA C 73 55.115 55.115 55.146 -0.031 19904 1109 1 2 . 1 1 73 73 ALA CB C 73 18.363 18.363 18.184 0.179 19904 1110 1 2 . 1 1 73 73 ALA H H 73 8.480 8.480 8.175 0.305 19904 1111 1 2 . 1 1 74 74 LYS N N 74 119.815 119.815 116.159 3.656 19904 1112 1 2 . 1 1 74 74 LYS HA H 74 4.146 4.146 4.077 0.069 19904 1113 1 2 . 1 1 74 74 LYS C C 74 173.942 173.942 177.379 -3.437 19904 1114 1 2 . 1 1 74 74 LYS CA C 74 58.981 58.981 58.223 0.758 19904 1115 1 2 . 1 1 74 74 LYS CB C 74 32.424 32.424 32.401 0.023 19904 1116 1 2 . 1 1 74 74 LYS H H 74 8.043 8.043 7.639 0.404 19904 1117 1 2 . 1 1 75 75 ARG N N 75 118.332 118.332 115.666 2.666 19904 1118 1 2 . 1 1 75 75 ARG HA H 75 4.742 4.742 4.571 0.171 19904 1119 1 2 . 1 1 75 75 ARG C C 75 173.269 173.269 175.546 -2.277 19904 1120 1 2 . 1 1 75 75 ARG CA C 75 54.048 54.048 54.518 -0.470 19904 1121 1 2 . 1 1 75 75 ARG CB C 75 28.796 28.796 30.447 -1.651 19904 1122 1 2 . 1 1 75 75 ARG H H 75 7.536 7.536 7.923 -0.387 19904 1123 1 2 . 1 1 76 76 ASP N N 76 115.890 115.890 117.419 -1.529 19904 1124 1 2 . 1 1 76 76 ASP HA H 76 4.310 4.310 4.248 0.062 19904 1125 1 2 . 1 1 76 76 ASP C C 76 169.530 169.530 175.856 -6.326 19904 1126 1 2 . 1 1 76 76 ASP CA C 76 56.876 56.876 55.370 1.506 19904 1127 1 2 . 1 1 76 76 ASP CB C 76 39.268 39.268 38.392 0.876 19904 1128 1 2 . 1 1 76 76 ASP H H 76 7.601 7.601 8.675 -1.074 19904 1129 1 2 . 1 1 77 77 GLY N N 77 100.656 100.656 104.748 -4.092 19904 1130 1 2 . 1 1 77 77 GLY C C 77 170.735 170.735 173.230 -2.495 19904 1131 1 2 . 1 1 77 77 GLY CA C 77 56.712 56.712 45.922 10.790 19904 1132 1 2 . 1 1 77 77 GLY H H 77 8.218 8.218 8.140 0.078 19904 1133 1 2 . 1 1 78 78 ASP N N 78 118.744 118.744 119.471 -0.727 19904 1134 1 2 . 1 1 78 78 ASP HA H 78 3.085 3.085 5.025 -1.940 19904 1135 1 2 . 1 1 78 78 ASP C C 78 173.696 173.696 175.911 -2.215 19904 1136 1 2 . 1 1 78 78 ASP CA C 78 54.461 54.461 53.833 0.628 19904 1137 1 2 . 1 1 78 78 ASP CB C 78 41.330 41.330 41.721 -0.391 19904 1138 1 2 . 1 1 78 78 ASP H H 78 6.679 6.679 7.613 -0.934 19904 1139 1 2 . 1 1 79 79 LEU N N 79 127.557 127.557 125.166 2.391 19904 1140 1 2 . 1 1 79 79 LEU HA H 79 4.333 4.333 4.690 -0.357 19904 1141 1 2 . 1 1 79 79 LEU C C 79 175.311 175.311 177.320 -2.009 19904 1142 1 2 . 1 1 79 79 LEU CA C 79 54.093 54.093 54.573 -0.480 19904 1143 1 2 . 1 1 79 79 LEU CB C 79 41.896 41.896 42.108 -0.213 19904 1144 1 2 . 1 1 79 79 LEU H H 79 8.837 8.837 8.209 0.628 19904 1145 1 2 . 1 1 80 80 GLY N N 80 109.745 109.745 110.756 -1.011 19904 1146 1 2 . 1 1 80 80 GLY C C 80 169.506 169.506 173.994 -4.488 19904 1147 1 2 . 1 1 80 80 GLY CA C 80 44.467 44.467 43.939 0.528 19904 1148 1 2 . 1 1 80 80 GLY H H 80 8.744 8.744 8.364 0.380 19904 1149 1 2 . 1 1 81 81 MET N N 81 118.177 118.177 117.972 0.205 19904 1150 1 2 . 1 1 81 81 MET HA H 81 4.560 4.560 4.294 0.266 19904 1151 1 2 . 1 1 81 81 MET C C 81 173.929 173.929 175.717 -1.788 19904 1152 1 2 . 1 1 81 81 MET CA C 81 53.095 53.095 56.148 -3.054 19904 1153 1 2 . 1 1 81 81 MET CB C 81 29.720 29.720 31.782 -2.062 19904 1154 1 2 . 1 1 81 81 MET H H 81 7.894 7.894 8.170 -0.276 19904 1155 1 2 . 1 1 82 82 VAL N N 82 129.209 129.209 125.100 4.109 19904 1156 1 2 . 1 1 82 82 VAL HA H 82 4.257 4.257 4.466 -0.209 19904 1157 1 2 . 1 1 82 82 VAL C C 82 172.520 172.520 174.365 -1.845 19904 1158 1 2 . 1 1 82 82 VAL CA C 82 61.786 61.786 60.097 1.689 19904 1159 1 2 . 1 1 82 82 VAL CB C 82 33.979 33.979 35.112 -1.133 19904 1160 1 2 . 1 1 82 82 VAL H H 82 9.085 9.085 8.757 0.328 19904 1161 1 2 . 1 1 83 83 GLU N N 83 125.940 125.940 127.041 -1.101 19904 1162 1 2 . 1 1 83 83 GLU HA H 83 4.949 4.949 4.731 0.218 19904 1163 1 2 . 1 1 83 83 GLU C C 83 175.328 175.328 175.296 0.032 19904 1164 1 2 . 1 1 83 83 GLU CA C 83 54.236 54.236 54.629 -0.393 19904 1165 1 2 . 1 1 83 83 GLU CB C 83 31.344 31.344 32.555 -1.211 19904 1166 1 2 . 1 1 83 83 GLU H H 83 8.608 8.608 8.516 0.092 19904 1167 1 2 . 1 1 84 84 SER N N 84 121.587 121.587 118.742 2.845 19904 1168 1 2 . 1 1 84 84 SER HA H 84 4.009 4.009 3.746 0.263 19904 1169 1 2 . 1 1 84 84 SER C C 84 172.341 172.341 175.214 -2.873 19904 1170 1 2 . 1 1 84 84 SER CA C 84 59.451 59.451 59.781 -0.330 19904 1171 1 2 . 1 1 84 84 SER CB C 84 62.340 62.340 62.812 -0.472 19904 1172 1 2 . 1 1 84 84 SER H H 84 8.737 8.737 8.583 0.154 19904 1173 1 2 . 1 1 85 85 GLY N N 85 114.678 114.678 116.102 -1.424 19904 1174 1 2 . 1 1 85 85 GLY C C 85 172.501 172.501 175.079 -2.578 19904 1175 1 2 . 1 1 85 85 GLY CA C 85 45.190 45.190 45.349 -0.159 19904 1176 1 2 . 1 1 85 85 GLY H H 85 10.247 10.247 8.555 1.692 19904 1177 1 2 . 1 1 86 86 THR N N 86 117.468 117.468 113.907 3.561 19904 1178 1 2 . 1 1 86 86 THR HA H 86 4.026 4.026 4.298 -0.272 19904 1179 1 2 . 1 1 86 86 THR C C 86 172.415 172.415 175.011 -2.596 19904 1180 1 2 . 1 1 86 86 THR CA C 86 64.666 64.666 62.612 2.054 19904 1181 1 2 . 1 1 86 86 THR CB C 86 69.421 69.421 69.802 -0.381 19904 1182 1 2 . 1 1 86 86 THR H H 86 8.398 8.398 7.803 0.595 19904 1183 1 2 . 1 1 87 87 TYR N N 87 123.120 123.120 122.342 0.778 19904 1184 1 2 . 1 1 87 87 TYR HA H 87 4.355 4.355 4.648 -0.293 19904 1185 1 2 . 1 1 87 87 TYR C C 87 172.035 172.035 175.520 -3.485 19904 1186 1 2 . 1 1 87 87 TYR CA C 87 57.361 57.361 57.142 0.220 19904 1187 1 2 . 1 1 87 87 TYR CB C 87 38.651 38.651 39.740 -1.089 19904 1188 1 2 . 1 1 87 87 TYR H H 87 8.869 8.869 8.010 0.859 19904 1189 1 2 . 1 1 88 88 THR N N 88 109.212 109.212 112.822 -3.610 19904 1190 1 2 . 1 1 88 88 THR HA H 88 4.304 4.304 4.421 -0.117 19904 1191 1 2 . 1 1 88 88 THR C C 88 172.134 172.134 174.347 -2.213 19904 1192 1 2 . 1 1 88 88 THR CA C 88 61.468 61.468 61.007 0.461 19904 1193 1 2 . 1 1 88 88 THR CB C 88 70.553 70.553 69.994 0.559 19904 1194 1 2 . 1 1 88 88 THR H H 88 7.339 7.339 8.095 -0.756 19904 1195 1 2 . 1 1 89 89 GLU N N 89 122.460 122.460 121.340 1.120 19904 1196 1 2 . 1 1 89 89 GLU HA H 89 4.058 4.058 3.826 0.232 19904 1197 1 2 . 1 1 89 89 GLU C C 89 175.844 175.844 177.676 -1.832 19904 1198 1 2 . 1 1 89 89 GLU CA C 89 59.853 59.853 58.470 1.383 19904 1199 1 2 . 1 1 89 89 GLU CB C 89 29.322 29.322 29.734 -0.412 19904 1200 1 2 . 1 1 89 89 GLU H H 89 8.819 8.819 8.531 0.288 19904 1201 1 2 . 1 1 90 90 GLY N N 90 107.861 107.861 113.618 -5.757 19904 1202 1 2 . 1 1 90 90 GLY C C 90 172.835 172.835 174.426 -1.591 19904 1203 1 2 . 1 1 90 90 GLY CA C 90 46.411 46.411 45.429 0.981 19904 1204 1 2 . 1 1 90 90 GLY H H 90 8.734 8.734 9.147 -0.413 19904 1205 1 2 . 1 1 91 91 PHE N N 91 120.792 120.792 122.147 -1.355 19904 1206 1 2 . 1 1 91 91 PHE HA H 91 3.691 3.691 4.389 -0.698 19904 1207 1 2 . 1 1 91 91 PHE C C 91 173.756 173.756 175.450 -1.694 19904 1208 1 2 . 1 1 91 91 PHE CA C 91 60.625 60.625 60.399 0.226 19904 1209 1 2 . 1 1 91 91 PHE CB C 91 39.869 39.869 40.244 -0.375 19904 1210 1 2 . 1 1 91 91 PHE H H 91 7.392 7.392 7.527 -0.135 19904 1211 1 2 . 1 1 92 92 ASP N N 92 119.990 119.990 118.420 1.570 19904 1212 1 2 . 1 1 92 92 ASP HA H 92 4.473 4.473 4.635 -0.162 19904 1213 1 2 . 1 1 92 92 ASP C C 92 176.108 176.108 178.201 -2.093 19904 1214 1 2 . 1 1 92 92 ASP CA C 92 57.792 57.792 57.001 0.791 19904 1215 1 2 . 1 1 92 92 ASP CB C 92 40.222 40.222 40.733 -0.511 19904 1216 1 2 . 1 1 92 92 ASP H H 92 8.339 8.339 8.130 0.209 19904 1217 1 2 . 1 1 93 93 THR N N 93 114.592 114.592 112.474 2.118 19904 1218 1 2 . 1 1 93 93 THR HA H 93 3.807 3.807 4.189 -0.382 19904 1219 1 2 . 1 1 93 93 THR C C 93 173.478 173.478 175.570 -2.092 19904 1220 1 2 . 1 1 93 93 THR CA C 93 66.000 66.000 64.901 1.099 19904 1221 1 2 . 1 1 93 93 THR CB C 93 68.763 68.763 69.020 -0.257 19904 1222 1 2 . 1 1 93 93 THR H H 93 8.609 8.609 8.175 0.434 19904 1223 1 2 . 1 1 94 94 VAL N N 94 118.669 118.669 121.293 -2.624 19904 1224 1 2 . 1 1 94 94 VAL HA H 94 3.688 3.688 3.949 -0.261 19904 1225 1 2 . 1 1 94 94 VAL C C 94 176.137 176.137 177.041 -0.904 19904 1226 1 2 . 1 1 94 94 VAL CA C 94 64.692 64.692 65.508 -0.816 19904 1227 1 2 . 1 1 94 94 VAL CB C 94 32.207 32.207 31.770 0.437 19904 1228 1 2 . 1 1 94 94 VAL H H 94 6.772 6.772 7.332 -0.560 19904 1229 1 2 . 1 1 95 95 ALA N N 95 123.356 123.356 122.373 0.983 19904 1230 1 2 . 1 1 95 95 ALA HA H 95 3.128 3.128 3.721 -0.593 19904 1231 1 2 . 1 1 95 95 ALA C C 95 177.254 177.254 177.724 -0.470 19904 1232 1 2 . 1 1 95 95 ALA CA C 95 55.202 55.202 54.551 0.651 19904 1233 1 2 . 1 1 95 95 ALA CB C 95 17.905 17.905 18.265 -0.360 19904 1234 1 2 . 1 1 95 95 ALA H H 95 8.890 8.890 8.043 0.847 19904 1235 1 2 . 1 1 96 96 PHE N N 96 111.667 111.667 113.303 -1.636 19904 1236 1 2 . 1 1 96 96 PHE HA H 96 4.170 4.170 4.553 -0.383 19904 1237 1 2 . 1 1 96 96 PHE C C 96 171.898 171.898 176.151 -4.253 19904 1238 1 2 . 1 1 96 96 PHE CA C 96 61.633 61.633 58.849 2.784 19904 1239 1 2 . 1 1 96 96 PHE CB C 96 36.448 36.448 39.289 -2.841 19904 1240 1 2 . 1 1 96 96 PHE H H 96 8.431 8.431 7.755 0.676 19904 1241 1 2 . 1 1 97 97 SER N N 97 113.144 113.144 115.585 -2.441 19904 1242 1 2 . 1 1 97 97 SER HA H 97 4.635 4.635 4.495 0.140 19904 1243 1 2 . 1 1 97 97 SER C C 97 172.020 172.020 174.773 -2.753 19904 1244 1 2 . 1 1 97 97 SER CA C 97 58.521 58.521 59.614 -1.093 19904 1245 1 2 . 1 1 97 97 SER CB C 97 64.820 64.820 63.971 0.849 19904 1246 1 2 . 1 1 97 97 SER H H 97 7.348 7.348 7.714 -0.366 19904 1247 1 2 . 1 1 98 98 LEU N N 98 121.390 121.390 119.900 1.490 19904 1248 1 2 . 1 1 98 98 LEU HA H 98 4.131 4.131 4.130 0.001 19904 1249 1 2 . 1 1 98 98 LEU C C 98 175.754 175.754 176.393 -0.639 19904 1250 1 2 . 1 1 98 98 LEU CA C 98 55.059 55.059 55.341 -0.282 19904 1251 1 2 . 1 1 98 98 LEU CB C 98 42.757 42.757 42.093 0.664 19904 1252 1 2 . 1 1 98 98 LEU H H 98 6.790 6.790 7.803 -1.013 19904 1253 1 2 . 1 1 99 99 LYS N N 99 124.409 124.409 119.288 5.121 19904 1254 1 2 . 1 1 99 99 LYS HA H 99 4.245 4.245 4.326 -0.081 19904 1255 1 2 . 1 1 99 99 LYS C C 99 173.517 173.517 176.261 -2.744 19904 1256 1 2 . 1 1 99 99 LYS CA C 99 55.439 55.439 55.798 -0.360 19904 1257 1 2 . 1 1 99 99 LYS CB C 99 32.792 32.792 33.415 -0.623 19904 1258 1 2 . 1 1 99 99 LYS H H 99 9.086 9.086 8.273 0.813 19904 1259 1 2 . 1 1 100 100 SER N N 100 115.642 115.642 116.046 -0.404 19904 1260 1 2 . 1 1 100 100 SER HA H 100 3.294 3.294 4.173 -0.879 19904 1261 1 2 . 1 1 100 100 SER C C 100 172.722 172.722 175.484 -2.762 19904 1262 1 2 . 1 1 100 100 SER CA C 100 60.816 60.816 60.190 0.626 19904 1263 1 2 . 1 1 100 100 SER CB C 100 62.342 62.342 62.957 -0.615 19904 1264 1 2 . 1 1 100 100 SER H H 100 8.469 8.469 8.405 0.064 19904 1265 1 2 . 1 1 101 101 GLY N N 101 114.871 114.871 113.277 1.594 19904 1266 1 2 . 1 1 101 101 GLY C C 101 169.465 169.465 173.258 -3.793 19904 1267 1 2 . 1 1 101 101 GLY CA C 101 45.415 45.415 45.658 -0.243 19904 1268 1 2 . 1 1 101 101 GLY H H 101 8.486 8.486 8.484 0.002 19904 1269 1 2 . 1 1 102 102 GLU N N 102 119.387 119.387 117.854 1.533 19904 1270 1 2 . 1 1 102 102 GLU HA H 102 4.742 4.742 4.970 -0.228 19904 1271 1 2 . 1 1 102 102 GLU C C 102 171.675 171.675 174.512 -2.837 19904 1272 1 2 . 1 1 102 102 GLU CA C 102 55.276 55.276 54.581 0.695 19904 1273 1 2 . 1 1 102 102 GLU CB C 102 32.307 32.307 33.595 -1.288 19904 1274 1 2 . 1 1 102 102 GLU H H 102 7.594 7.594 7.446 0.148 19904 1275 1 2 . 1 1 103 103 VAL N N 103 119.700 119.700 121.935 -2.235 19904 1276 1 2 . 1 1 103 103 VAL HA H 103 4.836 4.836 4.301 0.535 19904 1277 1 2 . 1 1 103 103 VAL C C 103 173.611 173.611 175.974 -2.363 19904 1278 1 2 . 1 1 103 103 VAL CA C 103 58.953 58.953 61.352 -2.399 19904 1279 1 2 . 1 1 103 103 VAL CB C 103 33.653 33.653 32.473 1.180 19904 1280 1 2 . 1 1 103 103 VAL H H 103 7.884 7.884 8.687 -0.803 19904 1281 1 2 . 1 1 104 104 SER N N 104 123.705 123.705 122.431 1.274 19904 1282 1 2 . 1 1 104 104 SER HA H 104 4.045 4.045 4.348 -0.303 19904 1283 1 2 . 1 1 104 104 SER C C 104 170.420 170.420 174.055 -3.635 19904 1284 1 2 . 1 1 104 104 SER CA C 104 58.515 58.515 58.673 -0.158 19904 1285 1 2 . 1 1 104 104 SER CB C 104 66.400 66.400 64.099 2.301 19904 1286 1 2 . 1 1 104 104 SER H H 104 9.056 9.056 8.638 0.418 19904 1287 1 2 . 1 1 105 105 ALA N N 105 117.355 117.355 123.546 -6.191 19904 1288 1 2 . 1 1 105 105 ALA HA H 105 4.395 4.395 4.378 0.017 19904 1289 1 2 . 1 1 105 105 ALA C C 105 172.593 172.593 175.844 -3.251 19904 1290 1 2 . 1 1 105 105 ALA CA C 105 51.112 51.112 50.959 0.153 19904 1291 1 2 . 1 1 105 105 ALA CB C 105 16.566 16.566 18.275 -1.709 19904 1292 1 2 . 1 1 105 105 ALA H H 105 7.269 7.269 8.307 -1.038 19904 1293 1 2 . 1 1 106 106 PRO HA H 106 4.684 4.684 4.333 0.351 19904 1294 1 2 . 1 1 106 106 PRO C C 106 174.527 174.527 175.712 -1.185 19904 1295 1 2 . 1 1 106 106 PRO CA C 106 63.191 63.191 62.785 0.406 19904 1296 1 2 . 1 1 106 106 PRO CB C 106 30.197 30.197 30.612 -0.415 19904 1297 1 2 . 1 1 107 107 VAL N N 107 124.996 124.996 124.859 0.137 19904 1298 1 2 . 1 1 107 107 VAL HA H 107 4.410 4.410 4.049 0.361 19904 1299 1 2 . 1 1 107 107 VAL C C 107 171.642 171.642 175.581 -3.939 19904 1300 1 2 . 1 1 107 107 VAL CA C 107 60.030 60.030 63.184 -3.154 19904 1301 1 2 . 1 1 107 107 VAL CB C 107 34.707 34.707 32.867 1.840 19904 1302 1 2 . 1 1 107 107 VAL H H 107 8.969 8.969 7.907 1.062 19904 1303 1 2 . 1 1 108 108 GLU N N 108 128.257 128.257 126.259 1.998 19904 1304 1 2 . 1 1 108 108 GLU HA H 108 5.188 5.188 5.117 0.071 19904 1305 1 2 . 1 1 108 108 GLU C C 108 173.786 173.786 176.022 -2.236 19904 1306 1 2 . 1 1 108 108 GLU CA C 108 56.033 56.033 55.328 0.706 19904 1307 1 2 . 1 1 108 108 GLU CB C 108 31.648 31.648 33.748 -2.100 19904 1308 1 2 . 1 1 108 108 GLU H H 108 8.971 8.971 8.642 0.329 19904 1309 1 2 . 1 1 109 109 THR N N 109 115.774 115.774 118.527 -2.753 19904 1310 1 2 . 1 1 109 109 THR HA H 109 4.828 4.828 4.770 0.058 19904 1311 1 2 . 1 1 109 109 THR C C 109 173.458 173.458 173.429 0.029 19904 1312 1 2 . 1 1 109 109 THR CA C 109 61.175 61.175 60.306 0.869 19904 1313 1 2 . 1 1 109 109 THR CB C 109 72.651 72.651 70.955 1.696 19904 1314 1 2 . 1 1 109 109 THR H H 109 9.378 9.378 8.775 0.603 19904 1315 1 2 . 1 1 110 110 GLU N N 110 118.681 118.681 120.857 -2.176 19904 1316 1 2 . 1 1 110 110 GLU HA H 110 4.354 4.354 4.082 0.272 19904 1317 1 2 . 1 1 110 110 GLU C C 110 174.619 174.619 177.430 -2.811 19904 1318 1 2 . 1 1 110 110 GLU CA C 110 58.130 58.130 59.061 -0.931 19904 1319 1 2 . 1 1 110 110 GLU CB C 110 28.500 28.500 29.600 -1.100 19904 1320 1 2 . 1 1 110 110 GLU H H 110 9.445 9.445 8.740 0.705 19904 1321 1 2 . 1 1 111 111 LEU N N 111 118.396 118.396 116.109 2.287 19904 1322 1 2 . 1 1 111 111 LEU HA H 111 4.235 4.235 4.299 -0.064 19904 1323 1 2 . 1 1 111 111 LEU C C 111 173.650 173.650 177.138 -3.488 19904 1324 1 2 . 1 1 111 111 LEU CA C 111 55.074 55.074 55.963 -0.889 19904 1325 1 2 . 1 1 111 111 LEU CB C 111 41.376 41.376 42.829 -1.453 19904 1326 1 2 . 1 1 111 111 LEU H H 111 8.849 8.849 8.001 0.848 19904 1327 1 2 . 1 1 112 112 GLY N N 112 103.523 103.523 101.367 2.156 19904 1328 1 2 . 1 1 112 112 GLY C C 112 166.641 166.641 172.142 -5.501 19904 1329 1 2 . 1 1 112 112 GLY CA C 112 43.820 43.820 44.861 -1.041 19904 1330 1 2 . 1 1 112 112 GLY H H 112 7.437 7.437 7.616 -0.179 19904 1331 1 2 . 1 1 113 113 VAL N N 113 121.766 121.766 121.672 0.094 19904 1332 1 2 . 1 1 113 113 VAL HA H 113 4.636 4.636 4.771 -0.135 19904 1333 1 2 . 1 1 113 113 VAL C C 113 171.516 171.516 175.677 -4.161 19904 1334 1 2 . 1 1 113 113 VAL CA C 113 61.125 61.125 61.605 -0.480 19904 1335 1 2 . 1 1 113 113 VAL CB C 113 32.510 32.510 32.533 -0.023 19904 1336 1 2 . 1 1 113 113 VAL H H 113 8.870 8.870 8.313 0.557 19904 1337 1 2 . 1 1 114 114 HIS N N 114 125.383 125.383 127.272 -1.889 19904 1338 1 2 . 1 1 114 114 HIS HA H 114 5.669 5.669 5.573 0.096 19904 1339 1 2 . 1 1 114 114 HIS C C 114 174.524 174.524 173.843 0.681 19904 1340 1 2 . 1 1 114 114 HIS CA C 114 53.960 53.960 54.442 -0.482 19904 1341 1 2 . 1 1 114 114 HIS CB C 114 30.978 30.978 32.937 -1.959 19904 1342 1 2 . 1 1 114 114 HIS H H 114 9.850 9.850 9.156 0.694 19904 1343 1 2 . 1 1 115 115 LEU N N 115 117.609 117.609 124.312 -6.703 19904 1344 1 2 . 1 1 115 115 LEU HA H 115 4.330 4.330 4.716 -0.386 19904 1345 1 2 . 1 1 115 115 LEU C C 115 172.779 172.779 175.317 -2.538 19904 1346 1 2 . 1 1 115 115 LEU CA C 115 54.545 54.545 54.367 0.178 19904 1347 1 2 . 1 1 115 115 LEU CB C 115 43.651 43.651 44.514 -0.863 19904 1348 1 2 . 1 1 115 115 LEU H H 115 8.459 8.459 8.280 0.179 19904 1349 1 2 . 1 1 116 116 ILE N N 116 124.233 124.233 124.367 -0.134 19904 1350 1 2 . 1 1 116 116 ILE HA H 116 4.391 4.391 4.790 -0.399 19904 1351 1 2 . 1 1 116 116 ILE C C 116 169.528 169.528 174.256 -4.728 19904 1352 1 2 . 1 1 116 116 ILE CA C 116 60.408 60.408 59.539 0.869 19904 1353 1 2 . 1 1 116 116 ILE CB C 116 40.360 40.360 39.922 0.438 19904 1354 1 2 . 1 1 116 116 ILE H H 116 8.597 8.597 8.198 0.399 19904 1355 1 2 . 1 1 117 117 TYR N N 117 126.661 126.661 122.075 4.586 19904 1356 1 2 . 1 1 117 117 TYR HA H 117 5.020 5.020 4.929 0.091 19904 1357 1 2 . 1 1 117 117 TYR C C 117 171.915 171.915 172.582 -0.667 19904 1358 1 2 . 1 1 117 117 TYR CA C 117 54.073 54.073 55.567 -1.494 19904 1359 1 2 . 1 1 117 117 TYR CB C 117 40.842 40.842 41.258 -0.416 19904 1360 1 2 . 1 1 117 117 TYR H H 117 8.646 8.646 7.657 0.989 19904 1361 1 2 . 1 1 118 118 ARG N N 118 126.514 126.514 122.813 3.701 19904 1362 1 2 . 1 1 118 118 ARG HA H 118 4.686 4.686 4.286 0.400 19904 1363 1 2 . 1 1 118 118 ARG C C 118 171.048 171.048 173.793 -2.745 19904 1364 1 2 . 1 1 118 118 ARG CA C 118 54.269 54.269 54.626 -0.357 19904 1365 1 2 . 1 1 118 118 ARG CB C 118 30.628 30.628 31.836 -1.208 19904 1366 1 2 . 1 1 118 118 ARG H H 118 7.162 7.162 7.930 -0.768 19904 1367 1 2 . 1 1 119 119 VAL N N 119 124.856 124.856 124.682 0.174 19904 1368 1 2 . 1 1 119 119 VAL HA H 119 3.446 3.446 4.137 -0.691 19904 1369 1 2 . 1 1 119 119 VAL C C 119 171.576 171.576 175.034 -3.458 19904 1370 1 2 . 1 1 119 119 VAL CA C 119 62.315 62.315 59.432 2.883 19904 1371 1 2 . 1 1 119 119 VAL CB C 119 32.676 32.676 34.493 -1.817 19904 1372 1 2 . 1 1 119 119 VAL H H 119 7.418 7.418 7.968 -0.549 19904 1373 1 3 . 1 1 2 2 THR N N 2 114.985 114.985 114.204 0.781 19904 1374 1 3 . 1 1 2 2 THR HA H 2 4.233 4.233 4.781 -0.548 19904 1375 1 3 . 1 1 2 2 THR C C 2 170.697 170.697 173.481 -2.784 19904 1376 1 3 . 1 1 2 2 THR CA C 2 61.775 61.775 61.999 -0.224 19904 1377 1 3 . 1 1 2 2 THR CB C 2 69.429 69.429 71.453 -2.024 19904 1378 1 3 . 1 1 2 2 THR H H 2 8.140 8.140 8.482 -0.342 19904 1379 1 3 . 1 1 3 3 GLU N N 3 121.736 121.736 123.067 -1.331 19904 1380 1 3 . 1 1 3 3 GLU HA H 3 5.206 5.206 5.353 -0.147 19904 1381 1 3 . 1 1 3 3 GLU C C 3 173.028 173.028 175.508 -2.480 19904 1382 1 3 . 1 1 3 3 GLU CA C 3 54.900 54.900 55.399 -0.499 19904 1383 1 3 . 1 1 3 3 GLU CB C 3 31.659 31.659 31.420 0.239 19904 1384 1 3 . 1 1 3 3 GLU H H 3 8.108 8.108 8.629 -0.521 19904 1385 1 3 . 1 1 4 4 ARG N N 4 120.713 120.713 123.546 -2.833 19904 1386 1 3 . 1 1 4 4 ARG HA H 4 4.360 4.360 4.441 -0.081 19904 1387 1 3 . 1 1 4 4 ARG C C 4 170.103 170.103 173.694 -3.591 19904 1388 1 3 . 1 1 4 4 ARG CA C 4 53.816 53.816 53.461 0.355 19904 1389 1 3 . 1 1 4 4 ARG CB C 4 35.162 35.162 33.488 1.674 19904 1390 1 3 . 1 1 4 4 ARG H H 4 8.309 8.309 8.507 -0.198 19904 1391 1 3 . 1 1 5 5 HIS N N 5 121.423 121.423 120.698 0.725 19904 1392 1 3 . 1 1 5 5 HIS HA H 5 5.197 5.197 4.445 0.752 19904 1393 1 3 . 1 1 5 5 HIS C C 5 170.917 170.917 172.850 -1.933 19904 1394 1 3 . 1 1 5 5 HIS CA C 5 52.151 52.151 54.100 -1.949 19904 1395 1 3 . 1 1 5 5 HIS CB C 5 29.920 29.920 30.909 -0.989 19904 1396 1 3 . 1 1 5 5 HIS H H 5 8.591 8.591 8.163 0.428 19904 1397 1 3 . 1 1 6 6 PHE N N 6 122.961 122.961 120.699 2.262 19904 1398 1 3 . 1 1 6 6 PHE HA H 6 6.042 6.042 4.409 1.633 19904 1399 1 3 . 1 1 6 6 PHE C C 6 171.599 171.599 172.860 -1.261 19904 1400 1 3 . 1 1 6 6 PHE CA C 6 55.284 55.284 54.278 1.006 19904 1401 1 3 . 1 1 6 6 PHE CB C 6 43.276 43.276 39.502 3.774 19904 1402 1 3 . 1 1 6 6 PHE H H 6 7.523 7.523 7.977 -0.454 19904 1403 1 3 . 1 1 7 7 TYR N N 7 119.822 119.822 117.165 2.657 19904 1404 1 3 . 1 1 7 7 TYR HA H 7 5.692 5.692 5.198 0.494 19904 1405 1 3 . 1 1 7 7 TYR C C 7 173.785 173.785 174.573 -0.788 19904 1406 1 3 . 1 1 7 7 TYR CA C 7 55.865 55.865 56.623 -0.758 19904 1407 1 3 . 1 1 7 7 TYR CB C 7 44.067 44.067 41.250 2.817 19904 1408 1 3 . 1 1 7 7 TYR H H 7 9.313 9.313 8.076 1.237 19904 1409 1 3 . 1 1 8 8 HIS N N 8 114.648 114.648 115.762 -1.114 19904 1410 1 3 . 1 1 8 8 HIS HA H 8 6.178 6.178 5.876 0.302 19904 1411 1 3 . 1 1 8 8 HIS C C 8 170.959 170.959 174.238 -3.279 19904 1412 1 3 . 1 1 8 8 HIS CA C 8 54.875 54.875 53.356 1.519 19904 1413 1 3 . 1 1 8 8 HIS CB C 8 36.453 36.453 34.275 2.179 19904 1414 1 3 . 1 1 8 8 HIS H H 8 9.369 9.369 8.677 0.692 19904 1415 1 3 . 1 1 9 9 VAL N N 9 120.650 120.650 119.796 0.854 19904 1416 1 3 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.994 -0.433 19904 1417 1 3 . 1 1 9 9 VAL C C 9 170.078 170.078 173.946 -3.868 19904 1418 1 3 . 1 1 9 9 VAL CA C 9 61.367 61.367 61.274 0.093 19904 1419 1 3 . 1 1 9 9 VAL CB C 9 34.926 34.926 33.528 1.398 19904 1420 1 3 . 1 1 9 9 VAL H H 9 8.936 8.936 8.139 0.797 19904 1421 1 3 . 1 1 10 10 LEU N N 10 125.870 125.870 129.773 -3.903 19904 1422 1 3 . 1 1 10 10 LEU HA H 10 4.614 4.614 4.787 -0.173 19904 1423 1 3 . 1 1 10 10 LEU C C 10 171.186 171.186 175.377 -4.191 19904 1424 1 3 . 1 1 10 10 LEU CA C 10 52.217 52.217 53.737 -1.520 19904 1425 1 3 . 1 1 10 10 LEU CB C 10 46.523 46.523 43.512 3.011 19904 1426 1 3 . 1 1 10 10 LEU H H 10 7.452 7.452 8.400 -0.948 19904 1427 1 3 . 1 1 11 11 VAL N N 11 128.355 128.355 125.888 2.467 19904 1428 1 3 . 1 1 11 11 VAL HA H 11 4.086 4.086 4.345 -0.259 19904 1429 1 3 . 1 1 11 11 VAL C C 11 173.155 173.155 174.568 -1.413 19904 1430 1 3 . 1 1 11 11 VAL CA C 11 61.124 61.124 61.885 -0.760 19904 1431 1 3 . 1 1 11 11 VAL CB C 11 32.522 32.522 32.897 -0.375 19904 1432 1 3 . 1 1 11 11 VAL H H 11 9.422 9.422 8.735 0.687 19904 1433 1 3 . 1 1 12 12 LYS N N 12 123.610 123.610 128.105 -4.495 19904 1434 1 3 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.457 -0.242 19904 1435 1 3 . 1 1 12 12 LYS C C 12 170.645 170.645 175.185 -4.540 19904 1436 1 3 . 1 1 12 12 LYS CA C 12 56.259 56.259 56.057 0.202 19904 1437 1 3 . 1 1 12 12 LYS CB C 12 34.702 34.702 34.416 0.286 19904 1438 1 3 . 1 1 12 12 LYS H H 12 9.071 9.071 8.646 0.424 19904 1439 1 3 . 1 1 13 13 HIS N N 13 110.414 110.414 115.064 -4.650 19904 1440 1 3 . 1 1 13 13 HIS HA H 13 4.396 4.396 4.745 -0.349 19904 1441 1 3 . 1 1 13 13 HIS C C 13 172.651 172.651 174.623 -1.972 19904 1442 1 3 . 1 1 13 13 HIS CA C 13 54.368 54.368 55.629 -1.261 19904 1443 1 3 . 1 1 13 13 HIS CB C 13 33.731 33.731 32.289 1.442 19904 1444 1 3 . 1 1 13 13 HIS H H 13 6.186 6.186 7.928 -1.742 19904 1445 1 3 . 1 1 14 14 LYS N N 14 115.373 115.373 121.121 -5.748 19904 1446 1 3 . 1 1 14 14 LYS HA H 14 4.074 4.074 3.896 0.178 19904 1447 1 3 . 1 1 14 14 LYS C C 14 172.860 172.860 176.949 -4.089 19904 1448 1 3 . 1 1 14 14 LYS CA C 14 58.131 58.131 57.712 0.419 19904 1449 1 3 . 1 1 14 14 LYS CB C 14 32.074 32.074 31.866 0.208 19904 1450 1 3 . 1 1 14 14 LYS H H 14 9.074 9.074 8.178 0.896 19904 1451 1 3 . 1 1 15 15 ASP N N 15 119.786 119.786 118.233 1.553 19904 1452 1 3 . 1 1 15 15 ASP HA H 15 5.117 5.117 4.569 0.548 19904 1453 1 3 . 1 1 15 15 ASP C C 15 173.969 173.969 176.874 -2.905 19904 1454 1 3 . 1 1 15 15 ASP CA C 15 54.644 54.644 54.383 0.262 19904 1455 1 3 . 1 1 15 15 ASP CB C 15 41.772 41.772 41.490 0.282 19904 1456 1 3 . 1 1 15 15 ASP H H 15 8.951 8.951 7.205 1.746 19904 1457 1 3 . 1 1 16 16 VAL N N 16 113.297 113.297 116.957 -3.660 19904 1458 1 3 . 1 1 16 16 VAL HA H 16 4.353 4.353 4.121 0.232 19904 1459 1 3 . 1 1 16 16 VAL C C 16 172.635 172.635 176.194 -3.559 19904 1460 1 3 . 1 1 16 16 VAL CA C 16 60.510 60.510 60.946 -0.436 19904 1461 1 3 . 1 1 16 16 VAL CB C 16 31.450 31.450 32.317 -0.867 19904 1462 1 3 . 1 1 16 16 VAL H H 16 6.826 6.826 7.359 -0.533 19904 1463 1 3 . 1 1 17 17 ARG N N 17 119.898 119.898 120.856 -0.958 19904 1464 1 3 . 1 1 17 17 ARG HA H 17 3.990 3.990 4.140 -0.150 19904 1465 1 3 . 1 1 17 17 ARG C C 17 174.690 174.690 176.838 -2.148 19904 1466 1 3 . 1 1 17 17 ARG CA C 17 58.501 58.501 58.212 0.289 19904 1467 1 3 . 1 1 17 17 ARG CB C 17 29.664 29.664 30.680 -1.016 19904 1468 1 3 . 1 1 17 17 ARG H H 17 8.305 8.305 8.619 -0.314 19904 1469 1 3 . 1 1 18 18 ARG N N 18 116.580 116.580 117.161 -0.581 19904 1470 1 3 . 1 1 18 18 ARG HA H 18 4.643 4.643 4.710 -0.067 19904 1471 1 3 . 1 1 18 18 ARG C C 18 171.330 171.330 174.512 -3.182 19904 1472 1 3 . 1 1 18 18 ARG CA C 18 53.059 53.059 53.725 -0.666 19904 1473 1 3 . 1 1 18 18 ARG CB C 18 29.538 29.538 29.852 -0.314 19904 1474 1 3 . 1 1 18 18 ARG H H 18 8.304 8.304 8.490 -0.186 19904 1475 1 3 . 1 1 19 19 PRO HA H 19 4.177 4.177 4.341 -0.164 19904 1476 1 3 . 1 1 19 19 PRO C C 19 171.575 171.575 176.919 -5.344 19904 1477 1 3 . 1 1 19 19 PRO CA C 19 62.693 62.693 63.537 -0.844 19904 1478 1 3 . 1 1 19 19 PRO CB C 19 27.756 27.756 32.127 -4.371 19904 1479 1 3 . 1 1 20 20 SER N N 20 119.112 119.112 114.773 4.339 19904 1480 1 3 . 1 1 20 20 SER HA H 20 5.172 5.172 4.329 0.843 19904 1481 1 3 . 1 1 20 20 SER C C 20 171.036 171.036 174.009 -2.973 19904 1482 1 3 . 1 1 20 20 SER CA C 20 56.630 56.630 57.979 -1.349 19904 1483 1 3 . 1 1 20 20 SER CB C 20 65.310 65.310 64.026 1.284 19904 1484 1 3 . 1 1 20 20 SER H H 20 8.587 8.587 7.897 0.690 19904 1485 1 3 . 1 1 21 21 SER N N 21 116.758 116.758 118.056 -1.298 19904 1486 1 3 . 1 1 21 21 SER HA H 21 4.448 4.448 4.557 -0.109 19904 1487 1 3 . 1 1 21 21 SER C C 21 173.204 173.204 173.177 0.027 19904 1488 1 3 . 1 1 21 21 SER CA C 21 57.984 57.984 57.721 0.263 19904 1489 1 3 . 1 1 21 21 SER CB C 21 63.579 63.579 62.976 0.603 19904 1490 1 3 . 1 1 21 21 SER H H 21 9.000 9.000 8.283 0.717 19904 1491 1 3 . 1 1 22 22 LEU N N 22 129.332 129.332 128.372 0.960 19904 1492 1 3 . 1 1 22 22 LEU HA H 22 4.560 4.560 4.493 0.067 19904 1493 1 3 . 1 1 22 22 LEU C C 22 172.591 172.591 175.560 -2.969 19904 1494 1 3 . 1 1 22 22 LEU CA C 22 53.332 53.332 52.308 1.024 19904 1495 1 3 . 1 1 22 22 LEU CB C 22 41.996 41.996 39.913 2.083 19904 1496 1 3 . 1 1 22 22 LEU H H 22 8.292 8.292 7.991 0.301 19904 1497 1 3 . 1 1 23 23 ALA N N 23 125.266 125.266 124.807 0.459 19904 1498 1 3 . 1 1 23 23 ALA HA H 23 4.174 4.174 4.868 -0.694 19904 1499 1 3 . 1 1 23 23 ALA C C 23 176.009 176.009 175.462 0.547 19904 1500 1 3 . 1 1 23 23 ALA CA C 23 50.357 50.357 49.533 0.824 19904 1501 1 3 . 1 1 23 23 ALA CB C 23 18.298 18.298 19.797 -1.499 19904 1502 1 3 . 1 1 23 23 ALA H H 23 7.521 7.521 7.358 0.163 19904 1503 1 3 . 1 1 24 24 PRO HA H 24 4.406 4.406 4.395 0.011 19904 1504 1 3 . 1 1 24 24 PRO C C 24 175.951 175.951 176.714 -0.763 19904 1505 1 3 . 1 1 24 24 PRO CA C 24 64.918 64.918 64.506 0.412 19904 1506 1 3 . 1 1 24 24 PRO CB C 24 31.480 31.480 32.112 -0.632 19904 1507 1 3 . 1 1 25 25 ARG N N 25 113.570 113.570 118.638 -5.068 19904 1508 1 3 . 1 1 25 25 ARG HA H 25 3.997 3.997 4.365 -0.368 19904 1509 1 3 . 1 1 25 25 ARG C C 25 173.076 173.076 176.700 -3.624 19904 1510 1 3 . 1 1 25 25 ARG CA C 25 57.993 57.993 57.008 0.985 19904 1511 1 3 . 1 1 25 25 ARG CB C 25 29.623 29.623 29.739 -0.116 19904 1512 1 3 . 1 1 25 25 ARG H H 25 7.997 7.997 8.370 -0.373 19904 1513 1 3 . 1 1 26 26 ASN N N 26 118.698 118.698 116.592 2.106 19904 1514 1 3 . 1 1 26 26 ASN HA H 26 4.684 4.684 4.772 -0.088 19904 1515 1 3 . 1 1 26 26 ASN C C 26 171.211 171.211 173.664 -2.453 19904 1516 1 3 . 1 1 26 26 ASN CA C 26 51.481 51.481 52.088 -0.607 19904 1517 1 3 . 1 1 26 26 ASN CB C 26 36.343 36.343 39.206 -2.863 19904 1518 1 3 . 1 1 26 26 ASN H H 26 7.314 7.314 8.228 -0.914 19904 1519 1 3 . 1 1 27 27 LYS N N 27 122.069 122.069 120.368 1.701 19904 1520 1 3 . 1 1 27 27 LYS HA H 27 3.545 3.545 4.162 -0.617 19904 1521 1 3 . 1 1 27 27 LYS C C 27 175.308 175.308 177.596 -2.288 19904 1522 1 3 . 1 1 27 27 LYS CA C 27 58.932 58.932 58.501 0.431 19904 1523 1 3 . 1 1 27 27 LYS CB C 27 32.223 32.223 32.617 -0.394 19904 1524 1 3 . 1 1 27 27 LYS H H 27 6.739 6.739 7.917 -1.178 19904 1525 1 3 . 1 1 28 28 GLY N N 28 115.186 115.186 111.663 3.523 19904 1526 1 3 . 1 1 28 28 GLY C C 28 172.044 172.044 174.089 -2.045 19904 1527 1 3 . 1 1 28 28 GLY CA C 28 44.167 44.167 44.756 -0.589 19904 1528 1 3 . 1 1 28 28 GLY H H 28 9.170 9.170 8.612 0.558 19904 1529 1 3 . 1 1 29 29 GLU N N 29 123.612 123.612 121.956 1.656 19904 1530 1 3 . 1 1 29 29 GLU HA H 29 3.988 3.988 4.437 -0.449 19904 1531 1 3 . 1 1 29 29 GLU C C 29 173.511 173.511 175.148 -1.637 19904 1532 1 3 . 1 1 29 29 GLU CA C 29 57.456 57.456 55.836 1.620 19904 1533 1 3 . 1 1 29 29 GLU CB C 29 29.848 29.848 30.990 -1.142 19904 1534 1 3 . 1 1 29 29 GLU H H 29 8.247 8.247 7.755 0.492 19904 1535 1 3 . 1 1 30 30 LYS N N 30 127.143 127.143 123.799 3.344 19904 1536 1 3 . 1 1 30 30 LYS HA H 30 4.136 4.136 4.480 -0.344 19904 1537 1 3 . 1 1 30 30 LYS C C 30 173.356 173.356 175.320 -1.964 19904 1538 1 3 . 1 1 30 30 LYS CA C 30 57.006 57.006 55.234 1.772 19904 1539 1 3 . 1 1 30 30 LYS CB C 30 32.352 32.352 35.292 -2.940 19904 1540 1 3 . 1 1 30 30 LYS H H 30 8.580 8.580 8.212 0.368 19904 1541 1 3 . 1 1 31 31 ILE N N 31 125.431 125.431 121.725 3.706 19904 1542 1 3 . 1 1 31 31 ILE HA H 31 4.126 4.126 4.367 -0.241 19904 1543 1 3 . 1 1 31 31 ILE C C 31 172.968 172.968 175.756 -2.788 19904 1544 1 3 . 1 1 31 31 ILE CA C 31 58.365 58.365 61.093 -2.728 19904 1545 1 3 . 1 1 31 31 ILE CB C 31 35.846 35.846 39.630 -3.784 19904 1546 1 3 . 1 1 31 31 ILE H H 31 8.136 8.136 8.529 -0.393 19904 1547 1 3 . 1 1 32 32 THR N N 32 116.000 116.000 121.261 -5.261 19904 1548 1 3 . 1 1 32 32 THR HA H 32 4.391 4.391 4.439 -0.048 19904 1549 1 3 . 1 1 32 32 THR C C 32 172.242 172.242 174.521 -2.279 19904 1550 1 3 . 1 1 32 32 THR CA C 32 60.626 60.626 61.367 -0.741 19904 1551 1 3 . 1 1 32 32 THR CB C 32 69.692 69.692 69.345 0.347 19904 1552 1 3 . 1 1 32 32 THR H H 32 8.501 8.501 8.509 -0.008 19904 1553 1 3 . 1 1 33 33 ARG N N 33 122.696 122.696 121.778 0.918 19904 1554 1 3 . 1 1 33 33 ARG HA H 33 4.516 4.516 4.503 0.013 19904 1555 1 3 . 1 1 33 33 ARG C C 33 171.016 171.016 175.684 -4.668 19904 1556 1 3 . 1 1 33 33 ARG CA C 33 55.200 55.200 56.030 -0.830 19904 1557 1 3 . 1 1 33 33 ARG CB C 33 29.990 29.990 31.290 -1.300 19904 1558 1 3 . 1 1 33 33 ARG H H 33 7.156 7.156 7.986 -0.830 19904 1559 1 3 . 1 1 34 34 SER N N 34 117.773 117.773 114.183 3.590 19904 1560 1 3 . 1 1 34 34 SER HA H 34 4.536 4.536 4.889 -0.353 19904 1561 1 3 . 1 1 34 34 SER C C 34 172.654 172.654 175.889 -3.235 19904 1562 1 3 . 1 1 34 34 SER CA C 34 57.072 57.072 57.558 -0.486 19904 1563 1 3 . 1 1 34 34 SER CB C 34 65.763 65.763 64.728 1.035 19904 1564 1 3 . 1 1 34 34 SER H H 34 9.144 9.144 8.225 0.919 19904 1565 1 3 . 1 1 35 35 ARG N N 35 122.568 122.568 121.830 0.738 19904 1566 1 3 . 1 1 35 35 ARG HA H 35 3.362 3.362 4.057 -0.695 19904 1567 1 3 . 1 1 35 35 ARG C C 35 174.904 174.904 177.760 -2.856 19904 1568 1 3 . 1 1 35 35 ARG CA C 35 60.234 60.234 59.043 1.191 19904 1569 1 3 . 1 1 35 35 ARG CB C 35 29.363 29.363 28.947 0.416 19904 1570 1 3 . 1 1 35 35 ARG H H 35 8.904 8.904 8.840 0.064 19904 1571 1 3 . 1 1 36 36 ALA N N 36 120.049 120.049 119.416 0.633 19904 1572 1 3 . 1 1 36 36 ALA HA H 36 3.861 3.861 4.098 -0.237 19904 1573 1 3 . 1 1 36 36 ALA C C 36 177.495 177.495 179.723 -2.228 19904 1574 1 3 . 1 1 36 36 ALA CA C 36 54.849 54.849 54.489 0.360 19904 1575 1 3 . 1 1 36 36 ALA CB C 36 17.598 17.598 17.849 -0.251 19904 1576 1 3 . 1 1 36 36 ALA H H 36 8.120 8.120 8.426 -0.306 19904 1577 1 3 . 1 1 37 37 ASP N N 37 118.222 118.222 118.800 -0.578 19904 1578 1 3 . 1 1 37 37 ASP HA H 37 4.313 4.313 4.436 -0.123 19904 1579 1 3 . 1 1 37 37 ASP C C 37 176.547 176.547 177.915 -1.368 19904 1580 1 3 . 1 1 37 37 ASP CA C 37 56.653 56.653 57.187 -0.534 19904 1581 1 3 . 1 1 37 37 ASP CB C 37 40.656 40.656 40.906 -0.250 19904 1582 1 3 . 1 1 37 37 ASP H H 37 7.877 7.877 8.106 -0.229 19904 1583 1 3 . 1 1 38 38 ALA N N 38 124.726 124.726 122.943 1.783 19904 1584 1 3 . 1 1 38 38 ALA HA H 38 3.928 3.928 4.047 -0.119 19904 1585 1 3 . 1 1 38 38 ALA C C 38 175.791 175.791 179.593 -3.802 19904 1586 1 3 . 1 1 38 38 ALA CA C 38 55.163 55.163 54.995 0.168 19904 1587 1 3 . 1 1 38 38 ALA CB C 38 18.040 18.040 18.433 -0.393 19904 1588 1 3 . 1 1 38 38 ALA H H 38 8.269 8.269 7.281 0.988 19904 1589 1 3 . 1 1 39 39 ILE N N 39 119.010 119.010 117.823 1.187 19904 1590 1 3 . 1 1 39 39 ILE HA H 39 3.476 3.476 3.495 -0.019 19904 1591 1 3 . 1 1 39 39 ILE C C 39 175.129 175.129 178.125 -2.996 19904 1592 1 3 . 1 1 39 39 ILE CA C 39 65.121 65.121 66.044 -0.923 19904 1593 1 3 . 1 1 39 39 ILE CB C 39 37.411 37.411 37.618 -0.207 19904 1594 1 3 . 1 1 39 39 ILE H H 39 7.974 7.974 7.755 0.219 19904 1595 1 3 . 1 1 40 40 ASN N N 40 117.393 117.393 117.629 -0.236 19904 1596 1 3 . 1 1 40 40 ASN HA H 40 4.332 4.332 4.480 -0.148 19904 1597 1 3 . 1 1 40 40 ASN C C 40 175.608 175.608 177.635 -2.027 19904 1598 1 3 . 1 1 40 40 ASN CA C 40 55.865 55.865 55.904 -0.039 19904 1599 1 3 . 1 1 40 40 ASN CB C 40 37.589 37.589 38.669 -1.080 19904 1600 1 3 . 1 1 40 40 ASN H H 40 8.122 8.122 7.520 0.602 19904 1601 1 3 . 1 1 41 41 LEU N N 41 123.846 123.846 122.019 1.827 19904 1602 1 3 . 1 1 41 41 LEU HA H 41 4.127 4.127 3.683 0.444 19904 1603 1 3 . 1 1 41 41 LEU C C 41 175.147 175.147 177.711 -2.564 19904 1604 1 3 . 1 1 41 41 LEU CA C 41 57.816 57.816 58.001 -0.184 19904 1605 1 3 . 1 1 41 41 LEU CB C 41 41.589 41.589 41.164 0.425 19904 1606 1 3 . 1 1 41 41 LEU H H 41 8.220 8.220 7.904 0.316 19904 1607 1 3 . 1 1 42 42 ALA N N 42 120.677 120.677 119.550 1.127 19904 1608 1 3 . 1 1 42 42 ALA HA H 42 3.763 3.763 3.687 0.076 19904 1609 1 3 . 1 1 42 42 ALA C C 42 176.512 176.512 179.673 -3.161 19904 1610 1 3 . 1 1 42 42 ALA CA C 42 55.411 55.411 55.305 0.106 19904 1611 1 3 . 1 1 42 42 ALA CB C 42 17.619 17.619 18.103 -0.484 19904 1612 1 3 . 1 1 42 42 ALA H H 42 7.959 7.959 7.624 0.335 19904 1613 1 3 . 1 1 43 43 GLN N N 43 114.196 114.196 117.136 -2.940 19904 1614 1 3 . 1 1 43 43 GLN HA H 43 3.963 3.963 4.012 -0.049 19904 1615 1 3 . 1 1 43 43 GLN C C 43 176.189 176.189 178.503 -2.314 19904 1616 1 3 . 1 1 43 43 GLN CA C 43 58.629 58.629 58.423 0.206 19904 1617 1 3 . 1 1 43 43 GLN CB C 43 27.777 27.777 28.633 -0.855 19904 1618 1 3 . 1 1 43 43 GLN H H 43 8.275 8.275 7.606 0.669 19904 1619 1 3 . 1 1 44 44 ALA N N 44 124.632 124.632 122.427 2.205 19904 1620 1 3 . 1 1 44 44 ALA HA H 44 4.092 4.092 4.023 0.069 19904 1621 1 3 . 1 1 44 44 ALA C C 44 178.108 178.108 179.302 -1.194 19904 1622 1 3 . 1 1 44 44 ALA CA C 44 54.752 54.752 54.663 0.088 19904 1623 1 3 . 1 1 44 44 ALA CB C 44 17.241 17.241 18.497 -1.256 19904 1624 1 3 . 1 1 44 44 ALA H H 44 8.134 8.134 7.867 0.267 19904 1625 1 3 . 1 1 45 45 ILE N N 45 120.659 120.659 118.490 2.169 19904 1626 1 3 . 1 1 45 45 ILE HA H 45 3.323 3.323 3.716 -0.393 19904 1627 1 3 . 1 1 45 45 ILE C C 45 176.240 176.240 178.454 -2.214 19904 1628 1 3 . 1 1 45 45 ILE CA C 45 65.254 65.254 65.155 0.099 19904 1629 1 3 . 1 1 45 45 ILE CB C 45 37.531 37.531 37.973 -0.442 19904 1630 1 3 . 1 1 45 45 ILE H H 45 7.970 7.970 8.071 -0.101 19904 1631 1 3 . 1 1 46 46 LEU N N 46 117.950 117.950 118.163 -0.213 19904 1632 1 3 . 1 1 46 46 LEU HA H 46 4.223 4.223 4.319 -0.096 19904 1633 1 3 . 1 1 46 46 LEU C C 46 177.868 177.868 177.552 0.316 19904 1634 1 3 . 1 1 46 46 LEU CA C 46 57.585 57.585 57.865 -0.280 19904 1635 1 3 . 1 1 46 46 LEU CB C 46 41.627 41.627 41.081 0.546 19904 1636 1 3 . 1 1 46 46 LEU H H 46 7.360 7.360 7.517 -0.157 19904 1637 1 3 . 1 1 47 47 ALA N N 47 120.942 120.942 119.174 1.768 19904 1638 1 3 . 1 1 47 47 ALA HA H 47 4.072 4.072 4.439 -0.366 19904 1639 1 3 . 1 1 47 47 ALA C C 47 176.501 176.501 178.975 -2.474 19904 1640 1 3 . 1 1 47 47 ALA CA C 47 53.869 53.869 53.138 0.731 19904 1641 1 3 . 1 1 47 47 ALA CB C 47 17.600 17.600 18.095 -0.495 19904 1642 1 3 . 1 1 47 47 ALA H H 47 8.135 8.135 7.172 0.963 19904 1643 1 3 . 1 1 48 48 GLN N N 48 116.773 116.773 117.787 -1.014 19904 1644 1 3 . 1 1 48 48 GLN HA H 48 3.947 3.947 4.204 -0.257 19904 1645 1 3 . 1 1 48 48 GLN C C 48 173.703 173.703 176.894 -3.191 19904 1646 1 3 . 1 1 48 48 GLN CA C 48 57.455 57.455 57.636 -0.181 19904 1647 1 3 . 1 1 48 48 GLN CB C 48 27.999 27.999 28.841 -0.842 19904 1648 1 3 . 1 1 48 48 GLN H H 48 7.615 7.615 8.098 -0.483 19904 1649 1 3 . 1 1 49 49 HIS N N 49 116.736 116.736 115.618 1.118 19904 1650 1 3 . 1 1 49 49 HIS HA H 49 4.686 4.686 4.493 0.193 19904 1651 1 3 . 1 1 49 49 HIS C C 49 172.191 172.191 173.919 -1.728 19904 1652 1 3 . 1 1 49 49 HIS CA C 49 53.597 53.597 52.514 1.083 19904 1653 1 3 . 1 1 49 49 HIS CB C 49 28.298 28.298 27.154 1.144 19904 1654 1 3 . 1 1 49 49 HIS H H 49 7.373 7.373 7.755 -0.382 19904 1655 1 3 . 1 1 50 50 LYS N N 50 119.417 119.417 122.438 -3.021 19904 1656 1 3 . 1 1 50 50 LYS HA H 50 4.048 4.048 4.052 -0.004 19904 1657 1 3 . 1 1 50 50 LYS C C 50 174.041 174.041 176.494 -2.453 19904 1658 1 3 . 1 1 50 50 LYS CA C 50 58.207 58.207 56.931 1.276 19904 1659 1 3 . 1 1 50 50 LYS CB C 50 31.869 31.869 31.215 0.654 19904 1660 1 3 . 1 1 50 50 LYS H H 50 7.494 7.494 7.627 -0.133 19904 1661 1 3 . 1 1 51 51 GLU N N 51 117.754 117.754 119.235 -1.481 19904 1662 1 3 . 1 1 51 51 GLU HA H 51 4.097 4.097 3.852 0.245 19904 1663 1 3 . 1 1 51 51 GLU C C 51 173.337 173.337 175.320 -1.983 19904 1664 1 3 . 1 1 51 51 GLU CA C 51 57.273 57.273 57.183 0.090 19904 1665 1 3 . 1 1 51 51 GLU CB C 51 28.391 28.391 27.311 1.080 19904 1666 1 3 . 1 1 51 51 GLU H H 51 8.916 8.916 8.580 0.336 19904 1667 1 3 . 1 1 52 52 ARG N N 52 118.808 118.808 116.527 2.281 19904 1668 1 3 . 1 1 52 52 ARG HA H 52 4.511 4.511 4.450 0.061 19904 1669 1 3 . 1 1 52 52 ARG C C 52 172.824 172.824 173.565 -0.741 19904 1670 1 3 . 1 1 52 52 ARG CA C 52 55.657 55.657 54.813 0.844 19904 1671 1 3 . 1 1 52 52 ARG CB C 52 31.484 31.484 31.682 -0.198 19904 1672 1 3 . 1 1 52 52 ARG H H 52 7.708 7.708 7.600 0.108 19904 1673 1 3 . 1 1 53 53 LYS N N 53 121.953 121.953 121.104 0.849 19904 1674 1 3 . 1 1 53 53 LYS HA H 53 4.502 4.502 4.710 -0.208 19904 1675 1 3 . 1 1 53 53 LYS C C 53 173.892 173.892 174.550 -0.658 19904 1676 1 3 . 1 1 53 53 LYS CA C 53 56.580 56.580 56.832 -0.252 19904 1677 1 3 . 1 1 53 53 LYS CB C 53 32.659 32.659 33.276 -0.617 19904 1678 1 3 . 1 1 53 53 LYS H H 53 8.698 8.698 8.497 0.201 19904 1679 1 3 . 1 1 54 54 THR N N 54 109.590 109.590 113.290 -3.700 19904 1680 1 3 . 1 1 54 54 THR HA H 54 4.925 4.925 5.016 -0.091 19904 1681 1 3 . 1 1 54 54 THR C C 54 171.619 171.619 173.547 -1.928 19904 1682 1 3 . 1 1 54 54 THR CA C 54 59.929 59.929 61.538 -1.609 19904 1683 1 3 . 1 1 54 54 THR CB C 54 70.010 70.010 69.585 0.425 19904 1684 1 3 . 1 1 54 54 THR H H 54 7.485 7.485 7.686 -0.201 19904 1685 1 3 . 1 1 55 55 TRP N N 55 125.280 125.280 126.973 -1.693 19904 1686 1 3 . 1 1 55 55 TRP HA H 55 4.994 4.994 4.857 0.137 19904 1687 1 3 . 1 1 55 55 TRP C C 55 174.476 174.476 176.077 -1.601 19904 1688 1 3 . 1 1 55 55 TRP CA C 55 55.069 55.069 56.799 -1.730 19904 1689 1 3 . 1 1 55 55 TRP CB C 55 31.112 31.112 30.425 0.687 19904 1690 1 3 . 1 1 55 55 TRP H H 55 9.334 9.334 8.303 1.031 19904 1691 1 3 . 1 1 56 56 SER N N 56 122.007 122.007 117.554 4.453 19904 1692 1 3 . 1 1 56 56 SER HA H 56 4.681 4.681 4.790 -0.109 19904 1693 1 3 . 1 1 56 56 SER C C 56 172.033 172.033 175.425 -3.392 19904 1694 1 3 . 1 1 56 56 SER CA C 56 56.530 56.530 57.365 -0.835 19904 1695 1 3 . 1 1 56 56 SER CB C 56 65.129 65.129 65.161 -0.032 19904 1696 1 3 . 1 1 56 56 SER H H 56 9.350 9.350 8.597 0.753 19904 1697 1 3 . 1 1 57 57 LEU N N 57 123.899 123.899 123.419 0.480 19904 1698 1 3 . 1 1 57 57 LEU HA H 57 3.895 3.895 4.978 -1.083 19904 1699 1 3 . 1 1 57 57 LEU C C 57 175.734 175.734 178.675 -2.941 19904 1700 1 3 . 1 1 57 57 LEU CA C 57 58.307 58.307 57.683 0.624 19904 1701 1 3 . 1 1 57 57 LEU CB C 57 40.951 40.951 41.703 -0.752 19904 1702 1 3 . 1 1 57 57 LEU H H 57 8.828 8.828 8.809 0.019 19904 1703 1 3 . 1 1 58 58 ASP N N 58 115.249 115.249 117.744 -2.495 19904 1704 1 3 . 1 1 58 58 ASP HA H 58 4.183 4.183 4.588 -0.405 19904 1705 1 3 . 1 1 58 58 ASP C C 58 176.605 176.605 177.657 -1.052 19904 1706 1 3 . 1 1 58 58 ASP CA C 58 57.043 57.043 56.514 0.529 19904 1707 1 3 . 1 1 58 58 ASP CB C 58 40.308 40.308 40.798 -0.490 19904 1708 1 3 . 1 1 58 58 ASP H H 58 8.229 8.229 8.508 -0.279 19904 1709 1 3 . 1 1 59 59 GLU N N 59 118.743 118.743 120.011 -1.268 19904 1710 1 3 . 1 1 59 59 GLU HA H 59 3.912 3.912 4.321 -0.409 19904 1711 1 3 . 1 1 59 59 GLU C C 59 176.819 176.819 178.171 -1.352 19904 1712 1 3 . 1 1 59 59 GLU CA C 59 58.459 58.459 58.469 -0.010 19904 1713 1 3 . 1 1 59 59 GLU CB C 59 30.086 30.086 29.946 0.140 19904 1714 1 3 . 1 1 59 59 GLU H H 59 7.589 7.589 7.951 -0.362 19904 1715 1 3 . 1 1 60 60 PHE N N 60 121.809 121.809 120.170 1.639 19904 1716 1 3 . 1 1 60 60 PHE HA H 60 4.147 4.147 4.067 0.080 19904 1717 1 3 . 1 1 60 60 PHE C C 60 174.448 174.448 177.783 -3.335 19904 1718 1 3 . 1 1 60 60 PHE CA C 60 62.439 62.439 61.757 0.682 19904 1719 1 3 . 1 1 60 60 PHE CB C 60 38.980 38.980 38.929 0.051 19904 1720 1 3 . 1 1 60 60 PHE H H 60 8.055 8.055 7.789 0.266 19904 1721 1 3 . 1 1 61 61 VAL N N 61 118.759 118.759 115.835 2.924 19904 1722 1 3 . 1 1 61 61 VAL HA H 61 3.465 3.465 3.670 -0.205 19904 1723 1 3 . 1 1 61 61 VAL C C 61 175.119 175.119 177.891 -2.772 19904 1724 1 3 . 1 1 61 61 VAL CA C 61 66.454 66.454 65.708 0.746 19904 1725 1 3 . 1 1 61 61 VAL CB C 61 31.345 31.345 31.013 0.332 19904 1726 1 3 . 1 1 61 61 VAL H H 61 9.098 9.098 7.799 1.299 19904 1727 1 3 . 1 1 62 62 GLN N N 62 117.732 117.732 117.816 -0.084 19904 1728 1 3 . 1 1 62 62 GLN HA H 62 3.762 3.762 4.146 -0.384 19904 1729 1 3 . 1 1 62 62 GLN C C 62 172.363 172.363 177.314 -4.951 19904 1730 1 3 . 1 1 62 62 GLN CA C 62 59.025 59.025 58.118 0.907 19904 1731 1 3 . 1 1 62 62 GLN CB C 62 27.967 27.967 28.625 -0.658 19904 1732 1 3 . 1 1 62 62 GLN H H 62 7.462 7.462 7.742 -0.280 19904 1733 1 3 . 1 1 63 63 VAL N N 63 113.433 113.433 118.307 -4.874 19904 1734 1 3 . 1 1 63 63 VAL HA H 63 4.147 4.147 3.756 0.391 19904 1735 1 3 . 1 1 63 63 VAL C C 63 176.157 176.157 177.571 -1.414 19904 1736 1 3 . 1 1 63 63 VAL CA C 63 64.982 64.982 64.012 0.970 19904 1737 1 3 . 1 1 63 63 VAL CB C 63 30.895 30.895 31.571 -0.676 19904 1738 1 3 . 1 1 63 63 VAL H H 63 6.895 6.895 7.554 -0.659 19904 1739 1 3 . 1 1 64 64 VAL N N 64 122.958 122.958 120.943 2.015 19904 1740 1 3 . 1 1 64 64 VAL HA H 64 3.307 3.307 3.621 -0.314 19904 1741 1 3 . 1 1 64 64 VAL C C 64 176.891 176.891 178.329 -1.438 19904 1742 1 3 . 1 1 64 64 VAL CA C 64 66.872 66.872 65.897 0.975 19904 1743 1 3 . 1 1 64 64 VAL CB C 64 31.240 31.240 31.042 0.198 19904 1744 1 3 . 1 1 64 64 VAL H H 64 7.908 7.908 8.128 -0.220 19904 1745 1 3 . 1 1 65 65 ARG N N 65 118.898 118.898 119.396 -0.498 19904 1746 1 3 . 1 1 65 65 ARG HA H 65 3.754 3.754 4.071 -0.317 19904 1747 1 3 . 1 1 65 65 ARG C C 65 175.082 175.082 176.491 -1.409 19904 1748 1 3 . 1 1 65 65 ARG CA C 65 59.710 59.710 58.004 1.706 19904 1749 1 3 . 1 1 65 65 ARG CB C 65 29.819 29.819 29.905 -0.086 19904 1750 1 3 . 1 1 65 65 ARG H H 65 8.459 8.459 7.318 1.141 19904 1751 1 3 . 1 1 66 66 ASP N N 66 115.125 115.125 116.491 -1.366 19904 1752 1 3 . 1 1 66 66 ASP HA H 66 4.326 4.326 4.325 0.001 19904 1753 1 3 . 1 1 66 66 ASP C C 66 174.721 174.721 175.577 -0.856 19904 1754 1 3 . 1 1 66 66 ASP CA C 66 55.771 55.771 55.624 0.146 19904 1755 1 3 . 1 1 66 66 ASP CB C 66 41.983 41.983 40.649 1.334 19904 1756 1 3 . 1 1 66 66 ASP H H 66 7.446 7.446 7.881 -0.435 19904 1757 1 3 . 1 1 67 67 PHE N N 67 111.221 111.221 117.123 -5.902 19904 1758 1 3 . 1 1 67 67 PHE HA H 67 4.691 4.691 4.554 0.137 19904 1759 1 3 . 1 1 67 67 PHE C C 67 174.114 174.114 175.956 -1.842 19904 1760 1 3 . 1 1 67 67 PHE CA C 67 58.940 58.940 57.678 1.262 19904 1761 1 3 . 1 1 67 67 PHE CB C 67 42.781 42.781 39.980 2.800 19904 1762 1 3 . 1 1 67 67 PHE H H 67 8.044 8.044 7.165 0.879 19904 1763 1 3 . 1 1 68 68 SER N N 68 110.726 110.726 117.949 -7.223 19904 1764 1 3 . 1 1 68 68 SER HA H 68 4.313 4.313 4.460 -0.147 19904 1765 1 3 . 1 1 68 68 SER C C 68 174.559 174.559 174.507 0.052 19904 1766 1 3 . 1 1 68 68 SER CA C 68 58.905 58.905 59.334 -0.429 19904 1767 1 3 . 1 1 68 68 SER CB C 68 65.317 65.317 63.472 1.845 19904 1768 1 3 . 1 1 68 68 SER H H 68 8.462 8.462 7.841 0.621 19904 1769 1 3 . 1 1 69 69 GLU N N 69 126.213 126.213 127.722 -1.509 19904 1770 1 3 . 1 1 69 69 GLU HA H 69 4.650 4.650 4.641 0.009 19904 1771 1 3 . 1 1 69 69 GLU C C 69 172.201 172.201 174.908 -2.707 19904 1772 1 3 . 1 1 69 69 GLU CA C 69 55.493 55.493 55.362 0.131 19904 1773 1 3 . 1 1 69 69 GLU CB C 69 29.575 29.575 30.159 -0.584 19904 1774 1 3 . 1 1 69 69 GLU H H 69 9.298 9.298 8.124 1.174 19904 1775 1 3 . 1 1 70 70 CYS N N 70 124.210 124.210 119.766 4.444 19904 1776 1 3 . 1 1 70 70 CYS HA H 70 4.310 4.310 4.838 -0.528 19904 1777 1 3 . 1 1 70 70 CYS C C 70 173.632 173.632 176.784 -3.152 19904 1778 1 3 . 1 1 70 70 CYS CA C 70 58.718 58.718 56.895 1.823 19904 1779 1 3 . 1 1 70 70 CYS CB C 70 30.055 30.055 31.282 -1.227 19904 1780 1 3 . 1 1 70 70 CYS H H 70 7.610 7.610 8.454 -0.844 19904 1781 1 3 . 1 1 71 71 GLY N N 71 118.767 118.767 109.451 9.316 19904 1782 1 3 . 1 1 71 71 GLY C C 71 174.447 174.447 176.206 -1.759 19904 1783 1 3 . 1 1 71 71 GLY CA C 71 47.313 47.313 46.946 0.367 19904 1784 1 3 . 1 1 71 71 GLY H H 71 8.712 8.712 8.825 -0.113 19904 1785 1 3 . 1 1 72 72 SER N N 72 123.624 123.624 115.699 7.925 19904 1786 1 3 . 1 1 72 72 SER HA H 72 4.146 4.146 4.335 -0.189 19904 1787 1 3 . 1 1 72 72 SER C C 72 175.737 175.737 175.268 0.469 19904 1788 1 3 . 1 1 72 72 SER CA C 72 61.353 61.353 59.740 1.613 19904 1789 1 3 . 1 1 72 72 SER CB C 72 62.668 62.668 62.549 0.119 19904 1790 1 3 . 1 1 72 72 SER H H 72 10.436 10.436 8.051 2.385 19904 1791 1 3 . 1 1 73 73 ALA N N 73 128.994 128.994 125.620 3.374 19904 1792 1 3 . 1 1 73 73 ALA HA H 73 3.991 3.991 3.985 0.006 19904 1793 1 3 . 1 1 73 73 ALA C C 73 176.885 176.885 178.285 -1.400 19904 1794 1 3 . 1 1 73 73 ALA CA C 73 55.115 55.115 55.450 -0.335 19904 1795 1 3 . 1 1 73 73 ALA CB C 73 18.363 18.363 18.152 0.211 19904 1796 1 3 . 1 1 73 73 ALA H H 73 8.480 8.480 8.590 -0.110 19904 1797 1 3 . 1 1 74 74 LYS N N 74 119.815 119.815 117.562 2.253 19904 1798 1 3 . 1 1 74 74 LYS HA H 74 4.146 4.146 4.021 0.125 19904 1799 1 3 . 1 1 74 74 LYS C C 74 173.942 173.942 177.930 -3.988 19904 1800 1 3 . 1 1 74 74 LYS CA C 74 58.981 58.981 58.680 0.301 19904 1801 1 3 . 1 1 74 74 LYS CB C 74 32.424 32.424 32.555 -0.131 19904 1802 1 3 . 1 1 74 74 LYS H H 74 8.043 8.043 7.820 0.223 19904 1803 1 3 . 1 1 75 75 ARG N N 75 118.332 118.332 115.806 2.526 19904 1804 1 3 . 1 1 75 75 ARG HA H 75 4.742 4.742 4.512 0.230 19904 1805 1 3 . 1 1 75 75 ARG C C 75 173.269 173.269 175.465 -2.196 19904 1806 1 3 . 1 1 75 75 ARG CA C 75 54.048 54.048 55.051 -1.003 19904 1807 1 3 . 1 1 75 75 ARG CB C 75 28.796 28.796 29.557 -0.761 19904 1808 1 3 . 1 1 75 75 ARG H H 75 7.536 7.536 7.886 -0.350 19904 1809 1 3 . 1 1 76 76 ASP N N 76 115.890 115.890 118.252 -2.362 19904 1810 1 3 . 1 1 76 76 ASP HA H 76 4.310 4.310 4.302 0.008 19904 1811 1 3 . 1 1 76 76 ASP C C 76 169.530 169.530 175.811 -6.281 19904 1812 1 3 . 1 1 76 76 ASP CA C 76 56.876 56.876 55.544 1.332 19904 1813 1 3 . 1 1 76 76 ASP CB C 76 39.268 39.268 38.212 1.056 19904 1814 1 3 . 1 1 76 76 ASP H H 76 7.601 7.601 8.485 -0.884 19904 1815 1 3 . 1 1 77 77 GLY N N 77 100.656 100.656 104.105 -3.449 19904 1816 1 3 . 1 1 77 77 GLY C C 77 170.735 170.735 173.250 -2.515 19904 1817 1 3 . 1 1 77 77 GLY CA C 77 56.712 56.712 45.978 10.734 19904 1818 1 3 . 1 1 77 77 GLY H H 77 8.218 8.218 8.053 0.165 19904 1819 1 3 . 1 1 78 78 ASP N N 78 118.744 118.744 119.081 -0.337 19904 1820 1 3 . 1 1 78 78 ASP HA H 78 3.085 3.085 4.978 -1.893 19904 1821 1 3 . 1 1 78 78 ASP C C 78 173.696 173.696 175.308 -1.612 19904 1822 1 3 . 1 1 78 78 ASP CA C 78 54.461 54.461 52.763 1.698 19904 1823 1 3 . 1 1 78 78 ASP CB C 78 41.330 41.330 42.622 -1.292 19904 1824 1 3 . 1 1 78 78 ASP H H 78 6.679 6.679 7.527 -0.848 19904 1825 1 3 . 1 1 79 79 LEU N N 79 127.557 127.557 125.740 1.817 19904 1826 1 3 . 1 1 79 79 LEU HA H 79 4.333 4.333 4.850 -0.517 19904 1827 1 3 . 1 1 79 79 LEU C C 79 175.311 175.311 177.251 -1.940 19904 1828 1 3 . 1 1 79 79 LEU CA C 79 54.093 54.093 54.016 0.077 19904 1829 1 3 . 1 1 79 79 LEU CB C 79 41.896 41.896 42.472 -0.576 19904 1830 1 3 . 1 1 79 79 LEU H H 79 8.837 8.837 8.097 0.740 19904 1831 1 3 . 1 1 80 80 GLY N N 80 109.745 109.745 110.228 -0.483 19904 1832 1 3 . 1 1 80 80 GLY C C 80 169.506 169.506 173.909 -4.403 19904 1833 1 3 . 1 1 80 80 GLY CA C 80 44.467 44.467 43.833 0.634 19904 1834 1 3 . 1 1 80 80 GLY H H 80 8.744 8.744 8.354 0.390 19904 1835 1 3 . 1 1 81 81 MET N N 81 118.177 118.177 118.524 -0.347 19904 1836 1 3 . 1 1 81 81 MET HA H 81 4.560 4.560 4.271 0.289 19904 1837 1 3 . 1 1 81 81 MET C C 81 173.929 173.929 176.280 -2.351 19904 1838 1 3 . 1 1 81 81 MET CA C 81 53.095 53.095 56.401 -3.306 19904 1839 1 3 . 1 1 81 81 MET CB C 81 29.720 29.720 31.592 -1.872 19904 1840 1 3 . 1 1 81 81 MET H H 81 7.894 7.894 7.974 -0.080 19904 1841 1 3 . 1 1 82 82 VAL N N 82 129.209 129.209 118.077 11.132 19904 1842 1 3 . 1 1 82 82 VAL HA H 82 4.257 4.257 4.562 -0.305 19904 1843 1 3 . 1 1 82 82 VAL C C 82 172.520 172.520 175.312 -2.792 19904 1844 1 3 . 1 1 82 82 VAL CA C 82 61.786 61.786 60.515 1.271 19904 1845 1 3 . 1 1 82 82 VAL CB C 82 33.979 33.979 33.771 0.208 19904 1846 1 3 . 1 1 82 82 VAL H H 82 9.085 9.085 8.662 0.423 19904 1847 1 3 . 1 1 83 83 GLU N N 83 125.940 125.940 123.926 2.014 19904 1848 1 3 . 1 1 83 83 GLU HA H 83 4.949 4.949 4.764 0.185 19904 1849 1 3 . 1 1 83 83 GLU C C 83 175.328 175.328 175.939 -0.611 19904 1850 1 3 . 1 1 83 83 GLU CA C 83 54.236 54.236 54.236 0.000 19904 1851 1 3 . 1 1 83 83 GLU CB C 83 31.344 31.344 33.062 -1.718 19904 1852 1 3 . 1 1 83 83 GLU H H 83 8.608 8.608 8.553 0.055 19904 1853 1 3 . 1 1 84 84 SER N N 84 121.587 121.587 119.563 2.024 19904 1854 1 3 . 1 1 84 84 SER HA H 84 4.009 4.009 3.583 0.426 19904 1855 1 3 . 1 1 84 84 SER C C 84 172.341 172.341 174.995 -2.654 19904 1856 1 3 . 1 1 84 84 SER CA C 84 59.451 59.451 59.817 -0.366 19904 1857 1 3 . 1 1 84 84 SER CB C 84 62.340 62.340 62.688 -0.347 19904 1858 1 3 . 1 1 84 84 SER H H 84 8.737 8.737 8.227 0.510 19904 1859 1 3 . 1 1 85 85 GLY N N 85 114.678 114.678 114.758 -0.080 19904 1860 1 3 . 1 1 85 85 GLY C C 85 172.501 172.501 175.042 -2.541 19904 1861 1 3 . 1 1 85 85 GLY CA C 85 45.190 45.190 45.247 -0.057 19904 1862 1 3 . 1 1 85 85 GLY H H 85 10.247 10.247 8.228 2.019 19904 1863 1 3 . 1 1 86 86 THR N N 86 117.468 117.468 114.212 3.256 19904 1864 1 3 . 1 1 86 86 THR HA H 86 4.026 4.026 4.175 -0.149 19904 1865 1 3 . 1 1 86 86 THR C C 86 172.415 172.415 175.617 -3.202 19904 1866 1 3 . 1 1 86 86 THR CA C 86 64.666 64.666 63.355 1.311 19904 1867 1 3 . 1 1 86 86 THR CB C 86 69.421 69.421 69.827 -0.406 19904 1868 1 3 . 1 1 86 86 THR H H 86 8.398 8.398 7.650 0.748 19904 1869 1 3 . 1 1 87 87 TYR N N 87 123.120 123.120 121.991 1.129 19904 1870 1 3 . 1 1 87 87 TYR HA H 87 4.355 4.355 4.414 -0.059 19904 1871 1 3 . 1 1 87 87 TYR C C 87 172.035 172.035 175.427 -3.392 19904 1872 1 3 . 1 1 87 87 TYR CA C 87 57.361 57.361 57.833 -0.472 19904 1873 1 3 . 1 1 87 87 TYR CB C 87 38.651 38.651 39.198 -0.547 19904 1874 1 3 . 1 1 87 87 TYR H H 87 8.869 8.869 8.233 0.636 19904 1875 1 3 . 1 1 88 88 THR N N 88 109.212 109.212 112.936 -3.724 19904 1876 1 3 . 1 1 88 88 THR HA H 88 4.304 4.304 4.386 -0.082 19904 1877 1 3 . 1 1 88 88 THR C C 88 172.134 172.134 174.631 -2.497 19904 1878 1 3 . 1 1 88 88 THR CA C 88 61.468 61.468 61.205 0.263 19904 1879 1 3 . 1 1 88 88 THR CB C 88 70.553 70.553 69.913 0.640 19904 1880 1 3 . 1 1 88 88 THR H H 88 7.339 7.339 8.140 -0.801 19904 1881 1 3 . 1 1 89 89 GLU N N 89 122.460 122.460 123.119 -0.659 19904 1882 1 3 . 1 1 89 89 GLU HA H 89 4.058 4.058 3.805 0.253 19904 1883 1 3 . 1 1 89 89 GLU C C 89 175.844 175.844 177.697 -1.853 19904 1884 1 3 . 1 1 89 89 GLU CA C 89 59.853 59.853 58.498 1.355 19904 1885 1 3 . 1 1 89 89 GLU CB C 89 29.322 29.322 29.887 -0.565 19904 1886 1 3 . 1 1 89 89 GLU H H 89 8.819 8.819 8.566 0.253 19904 1887 1 3 . 1 1 90 90 GLY N N 90 107.861 107.861 113.280 -5.419 19904 1888 1 3 . 1 1 90 90 GLY C C 90 172.835 172.835 173.998 -1.163 19904 1889 1 3 . 1 1 90 90 GLY CA C 90 46.411 46.411 45.546 0.865 19904 1890 1 3 . 1 1 90 90 GLY H H 90 8.734 8.734 9.222 -0.488 19904 1891 1 3 . 1 1 91 91 PHE N N 91 120.792 120.792 122.100 -1.308 19904 1892 1 3 . 1 1 91 91 PHE HA H 91 3.691 3.691 4.434 -0.743 19904 1893 1 3 . 1 1 91 91 PHE C C 91 173.756 173.756 175.609 -1.853 19904 1894 1 3 . 1 1 91 91 PHE CA C 91 60.625 60.625 60.458 0.167 19904 1895 1 3 . 1 1 91 91 PHE CB C 91 39.869 39.869 40.422 -0.553 19904 1896 1 3 . 1 1 91 91 PHE H H 91 7.392 7.392 7.690 -0.298 19904 1897 1 3 . 1 1 92 92 ASP N N 92 119.990 119.990 118.798 1.192 19904 1898 1 3 . 1 1 92 92 ASP HA H 92 4.473 4.473 4.545 -0.072 19904 1899 1 3 . 1 1 92 92 ASP C C 92 176.108 176.108 178.584 -2.476 19904 1900 1 3 . 1 1 92 92 ASP CA C 92 57.792 57.792 57.798 -0.006 19904 1901 1 3 . 1 1 92 92 ASP CB C 92 40.222 40.222 40.265 -0.043 19904 1902 1 3 . 1 1 92 92 ASP H H 92 8.339 8.339 8.186 0.153 19904 1903 1 3 . 1 1 93 93 THR N N 93 114.592 114.592 113.379 1.213 19904 1904 1 3 . 1 1 93 93 THR HA H 93 3.807 3.807 3.978 -0.171 19904 1905 1 3 . 1 1 93 93 THR C C 93 173.478 173.478 175.718 -2.240 19904 1906 1 3 . 1 1 93 93 THR CA C 93 66.000 66.000 65.795 0.205 19904 1907 1 3 . 1 1 93 93 THR CB C 93 68.763 68.763 67.905 0.858 19904 1908 1 3 . 1 1 93 93 THR H H 93 8.609 8.609 8.715 -0.106 19904 1909 1 3 . 1 1 94 94 VAL N N 94 118.669 118.669 121.523 -2.854 19904 1910 1 3 . 1 1 94 94 VAL HA H 94 3.688 3.688 3.996 -0.308 19904 1911 1 3 . 1 1 94 94 VAL C C 94 176.137 176.137 177.038 -0.901 19904 1912 1 3 . 1 1 94 94 VAL CA C 94 64.692 64.692 65.066 -0.374 19904 1913 1 3 . 1 1 94 94 VAL CB C 94 32.207 32.207 31.603 0.604 19904 1914 1 3 . 1 1 94 94 VAL H H 94 6.772 6.772 7.275 -0.503 19904 1915 1 3 . 1 1 95 95 ALA N N 95 123.356 123.356 123.905 -0.549 19904 1916 1 3 . 1 1 95 95 ALA HA H 95 3.128 3.128 3.668 -0.540 19904 1917 1 3 . 1 1 95 95 ALA C C 95 177.254 177.254 178.716 -1.462 19904 1918 1 3 . 1 1 95 95 ALA CA C 95 55.202 55.202 54.898 0.305 19904 1919 1 3 . 1 1 95 95 ALA CB C 95 17.905 17.905 18.128 -0.223 19904 1920 1 3 . 1 1 95 95 ALA H H 95 8.890 8.890 8.140 0.750 19904 1921 1 3 . 1 1 96 96 PHE N N 96 111.667 111.667 112.743 -1.076 19904 1922 1 3 . 1 1 96 96 PHE HA H 96 4.170 4.170 4.614 -0.444 19904 1923 1 3 . 1 1 96 96 PHE C C 96 171.898 171.898 176.704 -4.806 19904 1924 1 3 . 1 1 96 96 PHE CA C 96 61.633 61.633 59.126 2.507 19904 1925 1 3 . 1 1 96 96 PHE CB C 96 36.448 36.448 39.145 -2.697 19904 1926 1 3 . 1 1 96 96 PHE H H 96 8.431 8.431 8.532 -0.101 19904 1927 1 3 . 1 1 97 97 SER N N 97 113.144 113.144 115.981 -2.837 19904 1928 1 3 . 1 1 97 97 SER HA H 97 4.635 4.635 4.522 0.113 19904 1929 1 3 . 1 1 97 97 SER C C 97 172.020 172.020 174.965 -2.945 19904 1930 1 3 . 1 1 97 97 SER CA C 97 58.521 58.521 59.759 -1.238 19904 1931 1 3 . 1 1 97 97 SER CB C 97 64.820 64.820 63.928 0.892 19904 1932 1 3 . 1 1 97 97 SER H H 97 7.348 7.348 7.739 -0.391 19904 1933 1 3 . 1 1 98 98 LEU N N 98 121.390 121.390 120.300 1.090 19904 1934 1 3 . 1 1 98 98 LEU HA H 98 4.131 4.131 4.160 -0.029 19904 1935 1 3 . 1 1 98 98 LEU C C 98 175.754 175.754 176.244 -0.490 19904 1936 1 3 . 1 1 98 98 LEU CA C 98 55.059 55.059 55.804 -0.745 19904 1937 1 3 . 1 1 98 98 LEU CB C 98 42.757 42.757 41.521 1.236 19904 1938 1 3 . 1 1 98 98 LEU H H 98 6.790 6.790 7.915 -1.125 19904 1939 1 3 . 1 1 99 99 LYS N N 99 124.409 124.409 119.357 5.052 19904 1940 1 3 . 1 1 99 99 LYS HA H 99 4.245 4.245 4.363 -0.118 19904 1941 1 3 . 1 1 99 99 LYS C C 99 173.517 173.517 176.429 -2.912 19904 1942 1 3 . 1 1 99 99 LYS CA C 99 55.439 55.439 55.786 -0.347 19904 1943 1 3 . 1 1 99 99 LYS CB C 99 32.792 32.792 33.622 -0.830 19904 1944 1 3 . 1 1 99 99 LYS H H 99 9.086 9.086 8.139 0.947 19904 1945 1 3 . 1 1 100 100 SER N N 100 115.642 115.642 115.791 -0.149 19904 1946 1 3 . 1 1 100 100 SER HA H 100 3.294 3.294 4.131 -0.837 19904 1947 1 3 . 1 1 100 100 SER C C 100 172.722 172.722 175.487 -2.765 19904 1948 1 3 . 1 1 100 100 SER CA C 100 60.816 60.816 59.935 0.881 19904 1949 1 3 . 1 1 100 100 SER CB C 100 62.342 62.342 62.937 -0.595 19904 1950 1 3 . 1 1 100 100 SER H H 100 8.469 8.469 8.463 0.006 19904 1951 1 3 . 1 1 101 101 GLY N N 101 114.871 114.871 113.251 1.620 19904 1952 1 3 . 1 1 101 101 GLY C C 101 169.465 169.465 173.416 -3.951 19904 1953 1 3 . 1 1 101 101 GLY CA C 101 45.415 45.415 45.624 -0.209 19904 1954 1 3 . 1 1 101 101 GLY H H 101 8.486 8.486 8.657 -0.171 19904 1955 1 3 . 1 1 102 102 GLU N N 102 119.387 119.387 117.983 1.404 19904 1956 1 3 . 1 1 102 102 GLU HA H 102 4.742 4.742 4.887 -0.145 19904 1957 1 3 . 1 1 102 102 GLU C C 102 171.675 171.675 174.751 -3.076 19904 1958 1 3 . 1 1 102 102 GLU CA C 102 55.276 55.276 54.599 0.677 19904 1959 1 3 . 1 1 102 102 GLU CB C 102 32.307 32.307 33.990 -1.683 19904 1960 1 3 . 1 1 102 102 GLU H H 102 7.594 7.594 7.623 -0.029 19904 1961 1 3 . 1 1 103 103 VAL N N 103 119.700 119.700 123.105 -3.405 19904 1962 1 3 . 1 1 103 103 VAL HA H 103 4.836 4.836 4.276 0.560 19904 1963 1 3 . 1 1 103 103 VAL C C 103 173.611 173.611 175.946 -2.335 19904 1964 1 3 . 1 1 103 103 VAL CA C 103 58.953 58.953 61.523 -2.570 19904 1965 1 3 . 1 1 103 103 VAL CB C 103 33.653 33.653 33.105 0.548 19904 1966 1 3 . 1 1 103 103 VAL H H 103 7.884 7.884 8.646 -0.762 19904 1967 1 3 . 1 1 104 104 SER N N 104 123.705 123.705 123.342 0.363 19904 1968 1 3 . 1 1 104 104 SER HA H 104 4.045 4.045 4.355 -0.310 19904 1969 1 3 . 1 1 104 104 SER C C 104 170.420 170.420 174.711 -4.291 19904 1970 1 3 . 1 1 104 104 SER CA C 104 58.515 58.515 58.090 0.425 19904 1971 1 3 . 1 1 104 104 SER CB C 104 66.400 66.400 64.128 2.272 19904 1972 1 3 . 1 1 104 104 SER H H 104 9.056 9.056 8.658 0.398 19904 1973 1 3 . 1 1 105 105 ALA N N 105 117.355 117.355 124.285 -6.930 19904 1974 1 3 . 1 1 105 105 ALA HA H 105 4.395 4.395 4.354 0.041 19904 1975 1 3 . 1 1 105 105 ALA C C 105 172.593 172.593 176.108 -3.515 19904 1976 1 3 . 1 1 105 105 ALA CA C 105 51.112 51.112 51.169 -0.057 19904 1977 1 3 . 1 1 105 105 ALA CB C 105 16.566 16.566 18.049 -1.483 19904 1978 1 3 . 1 1 105 105 ALA H H 105 7.269 7.269 8.388 -1.119 19904 1979 1 3 . 1 1 106 106 PRO HA H 106 4.684 4.684 4.320 0.364 19904 1980 1 3 . 1 1 106 106 PRO C C 106 174.527 174.527 175.620 -1.093 19904 1981 1 3 . 1 1 106 106 PRO CA C 106 63.191 63.191 62.568 0.623 19904 1982 1 3 . 1 1 106 106 PRO CB C 106 30.197 30.197 30.653 -0.456 19904 1983 1 3 . 1 1 107 107 VAL N N 107 124.996 124.996 124.983 0.013 19904 1984 1 3 . 1 1 107 107 VAL HA H 107 4.410 4.410 4.074 0.336 19904 1985 1 3 . 1 1 107 107 VAL C C 107 171.642 171.642 175.678 -4.036 19904 1986 1 3 . 1 1 107 107 VAL CA C 107 60.030 60.030 62.519 -2.489 19904 1987 1 3 . 1 1 107 107 VAL CB C 107 34.707 34.707 32.795 1.912 19904 1988 1 3 . 1 1 107 107 VAL H H 107 8.969 8.969 7.954 1.015 19904 1989 1 3 . 1 1 108 108 GLU N N 108 128.257 128.257 126.909 1.348 19904 1990 1 3 . 1 1 108 108 GLU HA H 108 5.188 5.188 5.052 0.136 19904 1991 1 3 . 1 1 108 108 GLU C C 108 173.786 173.786 175.435 -1.649 19904 1992 1 3 . 1 1 108 108 GLU CA C 108 56.033 56.033 55.267 0.766 19904 1993 1 3 . 1 1 108 108 GLU CB C 108 31.648 31.648 32.985 -1.337 19904 1994 1 3 . 1 1 108 108 GLU H H 108 8.971 8.971 8.639 0.332 19904 1995 1 3 . 1 1 109 109 THR N N 109 115.774 115.774 118.333 -2.559 19904 1996 1 3 . 1 1 109 109 THR HA H 109 4.828 4.828 4.779 0.049 19904 1997 1 3 . 1 1 109 109 THR C C 109 173.458 173.458 174.550 -1.092 19904 1998 1 3 . 1 1 109 109 THR CA C 109 61.175 61.175 59.484 1.691 19904 1999 1 3 . 1 1 109 109 THR CB C 109 72.651 72.651 70.191 2.460 19904 2000 1 3 . 1 1 109 109 THR H H 109 9.378 9.378 8.770 0.608 19904 2001 1 3 . 1 1 110 110 GLU N N 110 118.681 118.681 120.687 -2.006 19904 2002 1 3 . 1 1 110 110 GLU HA H 110 4.354 4.354 4.114 0.239 19904 2003 1 3 . 1 1 110 110 GLU C C 110 174.619 174.619 177.347 -2.728 19904 2004 1 3 . 1 1 110 110 GLU CA C 110 58.130 58.130 58.850 -0.720 19904 2005 1 3 . 1 1 110 110 GLU CB C 110 28.500 28.500 29.459 -0.959 19904 2006 1 3 . 1 1 110 110 GLU H H 110 9.445 9.445 8.784 0.661 19904 2007 1 3 . 1 1 111 111 LEU N N 111 118.396 118.396 117.889 0.507 19904 2008 1 3 . 1 1 111 111 LEU HA H 111 4.235 4.235 4.317 -0.082 19904 2009 1 3 . 1 1 111 111 LEU C C 111 173.650 173.650 177.293 -3.643 19904 2010 1 3 . 1 1 111 111 LEU CA C 111 55.074 55.074 55.847 -0.773 19904 2011 1 3 . 1 1 111 111 LEU CB C 111 41.376 41.376 42.797 -1.421 19904 2012 1 3 . 1 1 111 111 LEU H H 111 8.849 8.849 7.880 0.969 19904 2013 1 3 . 1 1 112 112 GLY N N 112 103.523 103.523 101.690 1.833 19904 2014 1 3 . 1 1 112 112 GLY C C 112 166.641 166.641 172.153 -5.512 19904 2015 1 3 . 1 1 112 112 GLY CA C 112 43.820 43.820 45.127 -1.307 19904 2016 1 3 . 1 1 112 112 GLY H H 112 7.437 7.437 7.808 -0.371 19904 2017 1 3 . 1 1 113 113 VAL N N 113 121.766 121.766 121.626 0.140 19904 2018 1 3 . 1 1 113 113 VAL HA H 113 4.636 4.636 4.876 -0.240 19904 2019 1 3 . 1 1 113 113 VAL C C 113 171.516 171.516 175.638 -4.122 19904 2020 1 3 . 1 1 113 113 VAL CA C 113 61.125 61.125 61.506 -0.381 19904 2021 1 3 . 1 1 113 113 VAL CB C 113 32.510 32.510 31.681 0.829 19904 2022 1 3 . 1 1 113 113 VAL H H 113 8.870 8.870 7.995 0.875 19904 2023 1 3 . 1 1 114 114 HIS N N 114 125.383 125.383 127.177 -1.794 19904 2024 1 3 . 1 1 114 114 HIS HA H 114 5.669 5.669 5.594 0.075 19904 2025 1 3 . 1 1 114 114 HIS C C 114 174.524 174.524 173.863 0.661 19904 2026 1 3 . 1 1 114 114 HIS CA C 114 53.960 53.960 54.398 -0.438 19904 2027 1 3 . 1 1 114 114 HIS CB C 114 30.978 30.978 33.365 -2.387 19904 2028 1 3 . 1 1 114 114 HIS H H 114 9.850 9.850 9.223 0.627 19904 2029 1 3 . 1 1 115 115 LEU N N 115 117.609 117.609 123.567 -5.958 19904 2030 1 3 . 1 1 115 115 LEU HA H 115 4.330 4.330 4.718 -0.388 19904 2031 1 3 . 1 1 115 115 LEU C C 115 172.779 172.779 175.241 -2.462 19904 2032 1 3 . 1 1 115 115 LEU CA C 115 54.545 54.545 54.475 0.070 19904 2033 1 3 . 1 1 115 115 LEU CB C 115 43.651 43.651 44.531 -0.880 19904 2034 1 3 . 1 1 115 115 LEU H H 115 8.459 8.459 8.297 0.162 19904 2035 1 3 . 1 1 116 116 ILE N N 116 124.233 124.233 124.339 -0.106 19904 2036 1 3 . 1 1 116 116 ILE HA H 116 4.391 4.391 4.769 -0.378 19904 2037 1 3 . 1 1 116 116 ILE C C 116 169.528 169.528 174.296 -4.768 19904 2038 1 3 . 1 1 116 116 ILE CA C 116 60.408 60.408 59.578 0.830 19904 2039 1 3 . 1 1 116 116 ILE CB C 116 40.360 40.360 39.845 0.515 19904 2040 1 3 . 1 1 116 116 ILE H H 116 8.597 8.597 8.132 0.465 19904 2041 1 3 . 1 1 117 117 TYR N N 117 126.661 126.661 121.857 4.804 19904 2042 1 3 . 1 1 117 117 TYR HA H 117 5.020 5.020 4.961 0.059 19904 2043 1 3 . 1 1 117 117 TYR C C 117 171.915 171.915 172.568 -0.653 19904 2044 1 3 . 1 1 117 117 TYR CA C 117 54.073 54.073 55.593 -1.520 19904 2045 1 3 . 1 1 117 117 TYR CB C 117 40.842 40.842 41.309 -0.467 19904 2046 1 3 . 1 1 117 117 TYR H H 117 8.646 8.646 7.656 0.990 19904 2047 1 3 . 1 1 118 118 ARG N N 118 126.514 126.514 122.698 3.816 19904 2048 1 3 . 1 1 118 118 ARG HA H 118 4.686 4.686 4.321 0.365 19904 2049 1 3 . 1 1 118 118 ARG C C 118 171.048 171.048 173.734 -2.686 19904 2050 1 3 . 1 1 118 118 ARG CA C 118 54.269 54.269 54.511 -0.242 19904 2051 1 3 . 1 1 118 118 ARG CB C 118 30.628 30.628 31.676 -1.048 19904 2052 1 3 . 1 1 118 118 ARG H H 118 7.162 7.162 7.938 -0.776 19904 2053 1 3 . 1 1 119 119 VAL N N 119 124.856 124.856 124.078 0.778 19904 2054 1 3 . 1 1 119 119 VAL HA H 119 3.446 3.446 4.135 -0.689 19904 2055 1 3 . 1 1 119 119 VAL C C 119 171.576 171.576 175.129 -3.553 19904 2056 1 3 . 1 1 119 119 VAL CA C 119 62.315 62.315 59.499 2.816 19904 2057 1 3 . 1 1 119 119 VAL CB C 119 32.676 32.676 34.979 -2.303 19904 2058 1 3 . 1 1 119 119 VAL H H 119 7.418 7.418 7.962 -0.544 19904 2059 1 4 . 1 1 2 2 THR N N 2 114.985 114.985 112.726 2.259 19904 2060 1 4 . 1 1 2 2 THR HA H 2 4.233 4.233 4.637 -0.404 19904 2061 1 4 . 1 1 2 2 THR C C 2 170.697 170.697 172.810 -2.113 19904 2062 1 4 . 1 1 2 2 THR CA C 2 61.775 61.775 60.704 1.071 19904 2063 1 4 . 1 1 2 2 THR CB C 2 69.429 69.429 71.237 -1.808 19904 2064 1 4 . 1 1 2 2 THR H H 2 8.140 8.140 8.086 0.054 19904 2065 1 4 . 1 1 3 3 GLU N N 3 121.736 121.736 117.963 3.773 19904 2066 1 4 . 1 1 3 3 GLU HA H 3 5.206 5.206 5.203 0.003 19904 2067 1 4 . 1 1 3 3 GLU C C 3 173.028 173.028 175.170 -2.142 19904 2068 1 4 . 1 1 3 3 GLU CA C 3 54.900 54.900 55.656 -0.756 19904 2069 1 4 . 1 1 3 3 GLU CB C 3 31.659 31.659 32.202 -0.543 19904 2070 1 4 . 1 1 3 3 GLU H H 3 8.108 8.108 8.482 -0.374 19904 2071 1 4 . 1 1 4 4 ARG N N 4 120.713 120.713 123.341 -2.628 19904 2072 1 4 . 1 1 4 4 ARG HA H 4 4.360 4.360 4.546 -0.186 19904 2073 1 4 . 1 1 4 4 ARG C C 4 170.103 170.103 173.377 -3.274 19904 2074 1 4 . 1 1 4 4 ARG CA C 4 53.816 53.816 53.444 0.372 19904 2075 1 4 . 1 1 4 4 ARG CB C 4 35.162 35.162 34.061 1.101 19904 2076 1 4 . 1 1 4 4 ARG H H 4 8.309 8.309 8.588 -0.279 19904 2077 1 4 . 1 1 5 5 HIS N N 5 121.423 121.423 117.105 4.318 19904 2078 1 4 . 1 1 5 5 HIS HA H 5 5.197 5.197 4.654 0.543 19904 2079 1 4 . 1 1 5 5 HIS C C 5 170.917 170.917 173.219 -2.302 19904 2080 1 4 . 1 1 5 5 HIS CA C 5 52.151 52.151 54.085 -1.934 19904 2081 1 4 . 1 1 5 5 HIS CB C 5 29.920 29.920 30.446 -0.526 19904 2082 1 4 . 1 1 5 5 HIS H H 5 8.591 8.591 7.840 0.751 19904 2083 1 4 . 1 1 6 6 PHE N N 6 122.961 122.961 119.093 3.868 19904 2084 1 4 . 1 1 6 6 PHE HA H 6 6.042 6.042 4.457 1.585 19904 2085 1 4 . 1 1 6 6 PHE C C 6 171.599 171.599 173.067 -1.468 19904 2086 1 4 . 1 1 6 6 PHE CA C 6 55.284 55.284 54.724 0.560 19904 2087 1 4 . 1 1 6 6 PHE CB C 6 43.276 43.276 39.824 3.452 19904 2088 1 4 . 1 1 6 6 PHE H H 6 7.523 7.523 7.843 -0.320 19904 2089 1 4 . 1 1 7 7 TYR N N 7 119.822 119.822 117.251 2.571 19904 2090 1 4 . 1 1 7 7 TYR HA H 7 5.692 5.692 5.182 0.510 19904 2091 1 4 . 1 1 7 7 TYR C C 7 173.785 173.785 174.616 -0.831 19904 2092 1 4 . 1 1 7 7 TYR CA C 7 55.865 55.865 56.641 -0.776 19904 2093 1 4 . 1 1 7 7 TYR CB C 7 44.067 44.067 41.217 2.850 19904 2094 1 4 . 1 1 7 7 TYR H H 7 9.313 9.313 8.174 1.139 19904 2095 1 4 . 1 1 8 8 HIS N N 8 114.648 114.648 116.300 -1.652 19904 2096 1 4 . 1 1 8 8 HIS HA H 8 6.178 6.178 5.801 0.377 19904 2097 1 4 . 1 1 8 8 HIS C C 8 170.959 170.959 173.652 -2.693 19904 2098 1 4 . 1 1 8 8 HIS CA C 8 54.875 54.875 53.756 1.119 19904 2099 1 4 . 1 1 8 8 HIS CB C 8 36.453 36.453 34.061 2.392 19904 2100 1 4 . 1 1 8 8 HIS H H 8 9.369 9.369 8.581 0.788 19904 2101 1 4 . 1 1 9 9 VAL N N 9 120.650 120.650 118.194 2.456 19904 2102 1 4 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.965 -0.404 19904 2103 1 4 . 1 1 9 9 VAL C C 9 170.078 170.078 174.215 -4.137 19904 2104 1 4 . 1 1 9 9 VAL CA C 9 61.367 61.367 60.762 0.605 19904 2105 1 4 . 1 1 9 9 VAL CB C 9 34.926 34.926 33.966 0.960 19904 2106 1 4 . 1 1 9 9 VAL H H 9 8.936 8.936 8.095 0.841 19904 2107 1 4 . 1 1 10 10 LEU N N 10 125.870 125.870 128.815 -2.945 19904 2108 1 4 . 1 1 10 10 LEU HA H 10 4.614 4.614 4.848 -0.234 19904 2109 1 4 . 1 1 10 10 LEU C C 10 171.186 171.186 175.513 -4.327 19904 2110 1 4 . 1 1 10 10 LEU CA C 10 52.217 52.217 53.835 -1.618 19904 2111 1 4 . 1 1 10 10 LEU CB C 10 46.523 46.523 43.679 2.844 19904 2112 1 4 . 1 1 10 10 LEU H H 10 7.452 7.452 8.495 -1.043 19904 2113 1 4 . 1 1 11 11 VAL N N 11 128.355 128.355 125.728 2.627 19904 2114 1 4 . 1 1 11 11 VAL HA H 11 4.086 4.086 4.351 -0.265 19904 2115 1 4 . 1 1 11 11 VAL C C 11 173.155 173.155 174.744 -1.589 19904 2116 1 4 . 1 1 11 11 VAL CA C 11 61.124 61.124 61.795 -0.671 19904 2117 1 4 . 1 1 11 11 VAL CB C 11 32.522 32.522 32.276 0.246 19904 2118 1 4 . 1 1 11 11 VAL H H 11 9.422 9.422 8.629 0.793 19904 2119 1 4 . 1 1 12 12 LYS N N 12 123.610 123.610 127.621 -4.011 19904 2120 1 4 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.409 -0.194 19904 2121 1 4 . 1 1 12 12 LYS C C 12 170.645 170.645 175.201 -4.556 19904 2122 1 4 . 1 1 12 12 LYS CA C 12 56.259 56.259 56.330 -0.071 19904 2123 1 4 . 1 1 12 12 LYS CB C 12 34.702 34.702 34.085 0.617 19904 2124 1 4 . 1 1 12 12 LYS H H 12 9.071 9.071 8.602 0.469 19904 2125 1 4 . 1 1 13 13 HIS N N 13 110.414 110.414 114.686 -4.272 19904 2126 1 4 . 1 1 13 13 HIS HA H 13 4.396 4.396 4.700 -0.304 19904 2127 1 4 . 1 1 13 13 HIS C C 13 172.651 172.651 174.527 -1.876 19904 2128 1 4 . 1 1 13 13 HIS CA C 13 54.368 54.368 55.223 -0.855 19904 2129 1 4 . 1 1 13 13 HIS CB C 13 33.731 33.731 32.003 1.728 19904 2130 1 4 . 1 1 13 13 HIS H H 13 6.186 6.186 8.085 -1.899 19904 2131 1 4 . 1 1 14 14 LYS N N 14 115.373 115.373 122.449 -7.076 19904 2132 1 4 . 1 1 14 14 LYS HA H 14 4.074 4.074 4.069 0.005 19904 2133 1 4 . 1 1 14 14 LYS C C 14 172.860 172.860 177.005 -4.145 19904 2134 1 4 . 1 1 14 14 LYS CA C 14 58.131 58.131 56.584 1.547 19904 2135 1 4 . 1 1 14 14 LYS CB C 14 32.074 32.074 31.779 0.295 19904 2136 1 4 . 1 1 14 14 LYS H H 14 9.074 9.074 8.387 0.687 19904 2137 1 4 . 1 1 15 15 ASP N N 15 119.786 119.786 118.983 0.803 19904 2138 1 4 . 1 1 15 15 ASP HA H 15 5.117 5.117 4.493 0.624 19904 2139 1 4 . 1 1 15 15 ASP C C 15 173.969 173.969 176.714 -2.745 19904 2140 1 4 . 1 1 15 15 ASP CA C 15 54.644 54.644 54.047 0.597 19904 2141 1 4 . 1 1 15 15 ASP CB C 15 41.772 41.772 41.384 0.388 19904 2142 1 4 . 1 1 15 15 ASP H H 15 8.951 8.951 7.117 1.834 19904 2143 1 4 . 1 1 16 16 VAL N N 16 113.297 113.297 116.363 -3.066 19904 2144 1 4 . 1 1 16 16 VAL HA H 16 4.353 4.353 4.044 0.309 19904 2145 1 4 . 1 1 16 16 VAL C C 16 172.635 172.635 176.049 -3.414 19904 2146 1 4 . 1 1 16 16 VAL CA C 16 60.510 60.510 61.892 -1.382 19904 2147 1 4 . 1 1 16 16 VAL CB C 16 31.450 31.450 32.490 -1.040 19904 2148 1 4 . 1 1 16 16 VAL H H 16 6.826 6.826 7.162 -0.336 19904 2149 1 4 . 1 1 17 17 ARG N N 17 119.898 119.898 120.808 -0.910 19904 2150 1 4 . 1 1 17 17 ARG HA H 17 3.990 3.990 4.207 -0.217 19904 2151 1 4 . 1 1 17 17 ARG C C 17 174.690 174.690 176.665 -1.975 19904 2152 1 4 . 1 1 17 17 ARG CA C 17 58.501 58.501 57.695 0.806 19904 2153 1 4 . 1 1 17 17 ARG CB C 17 29.664 29.664 30.664 -1.000 19904 2154 1 4 . 1 1 17 17 ARG H H 17 8.305 8.305 8.575 -0.270 19904 2155 1 4 . 1 1 18 18 ARG N N 18 116.580 116.580 116.144 0.436 19904 2156 1 4 . 1 1 18 18 ARG HA H 18 4.643 4.643 4.672 -0.029 19904 2157 1 4 . 1 1 18 18 ARG C C 18 171.330 171.330 174.250 -2.920 19904 2158 1 4 . 1 1 18 18 ARG CA C 18 53.059 53.059 53.413 -0.353 19904 2159 1 4 . 1 1 18 18 ARG CB C 18 29.538 29.538 28.693 0.845 19904 2160 1 4 . 1 1 18 18 ARG H H 18 8.304 8.304 8.333 -0.029 19904 2161 1 4 . 1 1 19 19 PRO HA H 19 4.177 4.177 4.389 -0.212 19904 2162 1 4 . 1 1 19 19 PRO C C 19 171.575 171.575 176.713 -5.138 19904 2163 1 4 . 1 1 19 19 PRO CA C 19 62.693 62.693 63.773 -1.080 19904 2164 1 4 . 1 1 19 19 PRO CB C 19 27.756 27.756 32.124 -4.368 19904 2165 1 4 . 1 1 20 20 SER N N 20 119.112 119.112 114.142 4.970 19904 2166 1 4 . 1 1 20 20 SER HA H 20 5.172 5.172 4.311 0.861 19904 2167 1 4 . 1 1 20 20 SER C C 20 171.036 171.036 173.861 -2.825 19904 2168 1 4 . 1 1 20 20 SER CA C 20 56.630 56.630 58.146 -1.516 19904 2169 1 4 . 1 1 20 20 SER CB C 20 65.310 65.310 64.264 1.046 19904 2170 1 4 . 1 1 20 20 SER H H 20 8.587 8.587 7.913 0.674 19904 2171 1 4 . 1 1 21 21 SER N N 21 116.758 116.758 117.595 -0.837 19904 2172 1 4 . 1 1 21 21 SER HA H 21 4.448 4.448 4.623 -0.175 19904 2173 1 4 . 1 1 21 21 SER C C 21 173.204 173.204 173.157 0.047 19904 2174 1 4 . 1 1 21 21 SER CA C 21 57.984 57.984 57.793 0.191 19904 2175 1 4 . 1 1 21 21 SER CB C 21 63.579 63.579 63.809 -0.230 19904 2176 1 4 . 1 1 21 21 SER H H 21 9.000 9.000 8.268 0.732 19904 2177 1 4 . 1 1 22 22 LEU N N 22 129.332 129.332 127.523 1.809 19904 2178 1 4 . 1 1 22 22 LEU HA H 22 4.560 4.560 4.519 0.041 19904 2179 1 4 . 1 1 22 22 LEU C C 22 172.591 172.591 175.506 -2.915 19904 2180 1 4 . 1 1 22 22 LEU CA C 22 53.332 53.332 53.310 0.022 19904 2181 1 4 . 1 1 22 22 LEU CB C 22 41.996 41.996 40.757 1.239 19904 2182 1 4 . 1 1 22 22 LEU H H 22 8.292 8.292 8.518 -0.226 19904 2183 1 4 . 1 1 23 23 ALA N N 23 125.266 125.266 123.672 1.594 19904 2184 1 4 . 1 1 23 23 ALA HA H 23 4.174 4.174 4.557 -0.383 19904 2185 1 4 . 1 1 23 23 ALA C C 23 176.009 176.009 175.734 0.275 19904 2186 1 4 . 1 1 23 23 ALA CA C 23 50.357 50.357 49.764 0.593 19904 2187 1 4 . 1 1 23 23 ALA CB C 23 18.298 18.298 18.709 -0.411 19904 2188 1 4 . 1 1 23 23 ALA H H 23 7.521 7.521 7.397 0.124 19904 2189 1 4 . 1 1 24 24 PRO HA H 24 4.406 4.406 4.339 0.067 19904 2190 1 4 . 1 1 24 24 PRO C C 24 175.951 175.951 176.660 -0.709 19904 2191 1 4 . 1 1 24 24 PRO CA C 24 64.918 64.918 64.057 0.861 19904 2192 1 4 . 1 1 24 24 PRO CB C 24 31.480 31.480 32.092 -0.612 19904 2193 1 4 . 1 1 25 25 ARG N N 25 113.570 113.570 118.580 -5.010 19904 2194 1 4 . 1 1 25 25 ARG HA H 25 3.997 3.997 4.363 -0.366 19904 2195 1 4 . 1 1 25 25 ARG C C 25 173.076 173.076 176.703 -3.627 19904 2196 1 4 . 1 1 25 25 ARG CA C 25 57.993 57.993 57.025 0.968 19904 2197 1 4 . 1 1 25 25 ARG CB C 25 29.623 29.623 29.799 -0.176 19904 2198 1 4 . 1 1 25 25 ARG H H 25 7.997 7.997 8.362 -0.365 19904 2199 1 4 . 1 1 26 26 ASN N N 26 118.698 118.698 116.513 2.185 19904 2200 1 4 . 1 1 26 26 ASN HA H 26 4.684 4.684 4.765 -0.081 19904 2201 1 4 . 1 1 26 26 ASN C C 26 171.211 171.211 173.699 -2.488 19904 2202 1 4 . 1 1 26 26 ASN CA C 26 51.481 51.481 52.076 -0.595 19904 2203 1 4 . 1 1 26 26 ASN CB C 26 36.343 36.343 38.977 -2.634 19904 2204 1 4 . 1 1 26 26 ASN H H 26 7.314 7.314 8.193 -0.879 19904 2205 1 4 . 1 1 27 27 LYS N N 27 122.069 122.069 120.345 1.724 19904 2206 1 4 . 1 1 27 27 LYS HA H 27 3.545 3.545 4.105 -0.560 19904 2207 1 4 . 1 1 27 27 LYS C C 27 175.308 175.308 177.613 -2.305 19904 2208 1 4 . 1 1 27 27 LYS CA C 27 58.932 58.932 58.341 0.591 19904 2209 1 4 . 1 1 27 27 LYS CB C 27 32.223 32.223 32.527 -0.304 19904 2210 1 4 . 1 1 27 27 LYS H H 27 6.739 6.739 7.962 -1.223 19904 2211 1 4 . 1 1 28 28 GLY N N 28 115.186 115.186 112.113 3.073 19904 2212 1 4 . 1 1 28 28 GLY C C 28 172.044 172.044 173.758 -1.714 19904 2213 1 4 . 1 1 28 28 GLY CA C 28 44.167 44.167 44.715 -0.548 19904 2214 1 4 . 1 1 28 28 GLY H H 28 9.170 9.170 8.564 0.606 19904 2215 1 4 . 1 1 29 29 GLU N N 29 123.612 123.612 121.665 1.947 19904 2216 1 4 . 1 1 29 29 GLU HA H 29 3.988 3.988 4.385 -0.397 19904 2217 1 4 . 1 1 29 29 GLU C C 29 173.511 173.511 175.159 -1.648 19904 2218 1 4 . 1 1 29 29 GLU CA C 29 57.456 57.456 56.136 1.320 19904 2219 1 4 . 1 1 29 29 GLU CB C 29 29.848 29.848 30.976 -1.128 19904 2220 1 4 . 1 1 29 29 GLU H H 29 8.247 8.247 7.772 0.475 19904 2221 1 4 . 1 1 30 30 LYS N N 30 127.143 127.143 124.475 2.668 19904 2222 1 4 . 1 1 30 30 LYS HA H 30 4.136 4.136 4.474 -0.338 19904 2223 1 4 . 1 1 30 30 LYS C C 30 173.356 173.356 175.195 -1.839 19904 2224 1 4 . 1 1 30 30 LYS CA C 30 57.006 57.006 55.324 1.682 19904 2225 1 4 . 1 1 30 30 LYS CB C 30 32.352 32.352 35.143 -2.791 19904 2226 1 4 . 1 1 30 30 LYS H H 30 8.580 8.580 8.281 0.299 19904 2227 1 4 . 1 1 31 31 ILE N N 31 125.431 125.431 121.230 4.201 19904 2228 1 4 . 1 1 31 31 ILE HA H 31 4.126 4.126 4.367 -0.240 19904 2229 1 4 . 1 1 31 31 ILE C C 31 172.968 172.968 175.801 -2.833 19904 2230 1 4 . 1 1 31 31 ILE CA C 31 58.365 58.365 61.010 -2.645 19904 2231 1 4 . 1 1 31 31 ILE CB C 31 35.846 35.846 40.119 -4.273 19904 2232 1 4 . 1 1 31 31 ILE H H 31 8.136 8.136 8.477 -0.341 19904 2233 1 4 . 1 1 32 32 THR N N 32 116.000 116.000 119.744 -3.744 19904 2234 1 4 . 1 1 32 32 THR HA H 32 4.391 4.391 4.462 -0.071 19904 2235 1 4 . 1 1 32 32 THR C C 32 172.242 172.242 174.178 -1.936 19904 2236 1 4 . 1 1 32 32 THR CA C 32 60.626 60.626 61.305 -0.679 19904 2237 1 4 . 1 1 32 32 THR CB C 32 69.692 69.692 69.061 0.631 19904 2238 1 4 . 1 1 32 32 THR H H 32 8.501 8.501 8.384 0.117 19904 2239 1 4 . 1 1 33 33 ARG N N 33 122.696 122.696 122.253 0.443 19904 2240 1 4 . 1 1 33 33 ARG HA H 33 4.516 4.516 4.510 0.006 19904 2241 1 4 . 1 1 33 33 ARG C C 33 171.016 171.016 175.841 -4.825 19904 2242 1 4 . 1 1 33 33 ARG CA C 33 55.200 55.200 55.556 -0.356 19904 2243 1 4 . 1 1 33 33 ARG CB C 33 29.990 29.990 31.148 -1.158 19904 2244 1 4 . 1 1 33 33 ARG H H 33 7.156 7.156 7.977 -0.821 19904 2245 1 4 . 1 1 34 34 SER N N 34 117.773 117.773 114.535 3.238 19904 2246 1 4 . 1 1 34 34 SER HA H 34 4.536 4.536 5.016 -0.480 19904 2247 1 4 . 1 1 34 34 SER C C 34 172.654 172.654 175.569 -2.915 19904 2248 1 4 . 1 1 34 34 SER CA C 34 57.072 57.072 57.487 -0.416 19904 2249 1 4 . 1 1 34 34 SER CB C 34 65.763 65.763 64.959 0.804 19904 2250 1 4 . 1 1 34 34 SER H H 34 9.144 9.144 8.238 0.906 19904 2251 1 4 . 1 1 35 35 ARG N N 35 122.568 122.568 119.880 2.688 19904 2252 1 4 . 1 1 35 35 ARG HA H 35 3.362 3.362 4.050 -0.688 19904 2253 1 4 . 1 1 35 35 ARG C C 35 174.904 174.904 178.057 -3.153 19904 2254 1 4 . 1 1 35 35 ARG CA C 35 60.234 60.234 58.947 1.287 19904 2255 1 4 . 1 1 35 35 ARG CB C 35 29.363 29.363 29.017 0.346 19904 2256 1 4 . 1 1 35 35 ARG H H 35 8.904 8.904 8.836 0.068 19904 2257 1 4 . 1 1 36 36 ALA N N 36 120.049 120.049 119.521 0.528 19904 2258 1 4 . 1 1 36 36 ALA HA H 36 3.861 3.861 4.103 -0.242 19904 2259 1 4 . 1 1 36 36 ALA C C 36 177.495 177.495 179.667 -2.172 19904 2260 1 4 . 1 1 36 36 ALA CA C 36 54.849 54.849 54.556 0.293 19904 2261 1 4 . 1 1 36 36 ALA CB C 36 17.598 17.598 17.841 -0.243 19904 2262 1 4 . 1 1 36 36 ALA H H 36 8.120 8.120 8.493 -0.373 19904 2263 1 4 . 1 1 37 37 ASP N N 37 118.222 118.222 118.878 -0.656 19904 2264 1 4 . 1 1 37 37 ASP HA H 37 4.313 4.313 4.462 -0.149 19904 2265 1 4 . 1 1 37 37 ASP C C 37 176.547 176.547 177.831 -1.284 19904 2266 1 4 . 1 1 37 37 ASP CA C 37 56.653 56.653 57.039 -0.387 19904 2267 1 4 . 1 1 37 37 ASP CB C 37 40.656 40.656 40.860 -0.204 19904 2268 1 4 . 1 1 37 37 ASP H H 37 7.877 7.877 7.736 0.141 19904 2269 1 4 . 1 1 38 38 ALA N N 38 124.726 124.726 122.983 1.743 19904 2270 1 4 . 1 1 38 38 ALA HA H 38 3.928 3.928 4.067 -0.139 19904 2271 1 4 . 1 1 38 38 ALA C C 38 175.791 175.791 179.597 -3.806 19904 2272 1 4 . 1 1 38 38 ALA CA C 38 55.163 55.163 54.959 0.204 19904 2273 1 4 . 1 1 38 38 ALA CB C 38 18.040 18.040 18.487 -0.447 19904 2274 1 4 . 1 1 38 38 ALA H H 38 8.269 8.269 7.270 0.999 19904 2275 1 4 . 1 1 39 39 ILE N N 39 119.010 119.010 117.509 1.501 19904 2276 1 4 . 1 1 39 39 ILE HA H 39 3.476 3.476 3.519 -0.043 19904 2277 1 4 . 1 1 39 39 ILE C C 39 175.129 175.129 178.125 -2.996 19904 2278 1 4 . 1 1 39 39 ILE CA C 39 65.121 65.121 65.962 -0.841 19904 2279 1 4 . 1 1 39 39 ILE CB C 39 37.411 37.411 37.626 -0.215 19904 2280 1 4 . 1 1 39 39 ILE H H 39 7.974 7.974 7.868 0.106 19904 2281 1 4 . 1 1 40 40 ASN N N 40 117.393 117.393 117.056 0.337 19904 2282 1 4 . 1 1 40 40 ASN HA H 40 4.332 4.332 4.513 -0.181 19904 2283 1 4 . 1 1 40 40 ASN C C 40 175.608 175.608 177.373 -1.765 19904 2284 1 4 . 1 1 40 40 ASN CA C 40 55.865 55.865 55.761 0.104 19904 2285 1 4 . 1 1 40 40 ASN CB C 40 37.589 37.589 38.724 -1.135 19904 2286 1 4 . 1 1 40 40 ASN H H 40 8.122 8.122 7.632 0.490 19904 2287 1 4 . 1 1 41 41 LEU N N 41 123.846 123.846 122.016 1.830 19904 2288 1 4 . 1 1 41 41 LEU HA H 41 4.127 4.127 3.703 0.424 19904 2289 1 4 . 1 1 41 41 LEU C C 41 175.147 175.147 177.589 -2.442 19904 2290 1 4 . 1 1 41 41 LEU CA C 41 57.816 57.816 57.801 0.015 19904 2291 1 4 . 1 1 41 41 LEU CB C 41 41.589 41.589 41.325 0.264 19904 2292 1 4 . 1 1 41 41 LEU H H 41 8.220 8.220 7.685 0.535 19904 2293 1 4 . 1 1 42 42 ALA N N 42 120.677 120.677 119.666 1.011 19904 2294 1 4 . 1 1 42 42 ALA HA H 42 3.763 3.763 3.708 0.055 19904 2295 1 4 . 1 1 42 42 ALA C C 42 176.512 176.512 179.712 -3.200 19904 2296 1 4 . 1 1 42 42 ALA CA C 42 55.411 55.411 55.332 0.079 19904 2297 1 4 . 1 1 42 42 ALA CB C 42 17.619 17.619 18.113 -0.493 19904 2298 1 4 . 1 1 42 42 ALA H H 42 7.959 7.959 7.684 0.275 19904 2299 1 4 . 1 1 43 43 GLN N N 43 114.196 114.196 116.966 -2.770 19904 2300 1 4 . 1 1 43 43 GLN HA H 43 3.963 3.963 4.031 -0.068 19904 2301 1 4 . 1 1 43 43 GLN C C 43 176.189 176.189 178.459 -2.270 19904 2302 1 4 . 1 1 43 43 GLN CA C 43 58.629 58.629 58.392 0.236 19904 2303 1 4 . 1 1 43 43 GLN CB C 43 27.777 27.777 28.660 -0.883 19904 2304 1 4 . 1 1 43 43 GLN H H 43 8.275 8.275 7.630 0.645 19904 2305 1 4 . 1 1 44 44 ALA N N 44 124.632 124.632 122.560 2.072 19904 2306 1 4 . 1 1 44 44 ALA HA H 44 4.092 4.092 4.022 0.070 19904 2307 1 4 . 1 1 44 44 ALA C C 44 178.108 178.108 179.283 -1.175 19904 2308 1 4 . 1 1 44 44 ALA CA C 44 54.752 54.752 54.685 0.066 19904 2309 1 4 . 1 1 44 44 ALA CB C 44 17.241 17.241 18.474 -1.233 19904 2310 1 4 . 1 1 44 44 ALA H H 44 8.134 8.134 7.789 0.345 19904 2311 1 4 . 1 1 45 45 ILE N N 45 120.659 120.659 118.606 2.053 19904 2312 1 4 . 1 1 45 45 ILE HA H 45 3.323 3.323 3.691 -0.368 19904 2313 1 4 . 1 1 45 45 ILE C C 45 176.240 176.240 178.485 -2.245 19904 2314 1 4 . 1 1 45 45 ILE CA C 45 65.254 65.254 65.423 -0.169 19904 2315 1 4 . 1 1 45 45 ILE CB C 45 37.531 37.531 38.017 -0.486 19904 2316 1 4 . 1 1 45 45 ILE H H 45 7.970 7.970 8.068 -0.098 19904 2317 1 4 . 1 1 46 46 LEU N N 46 117.950 117.950 117.602 0.348 19904 2318 1 4 . 1 1 46 46 LEU HA H 46 4.223 4.223 4.368 -0.145 19904 2319 1 4 . 1 1 46 46 LEU C C 46 177.868 177.868 177.735 0.133 19904 2320 1 4 . 1 1 46 46 LEU CA C 46 57.585 57.585 57.886 -0.301 19904 2321 1 4 . 1 1 46 46 LEU CB C 46 41.627 41.627 41.084 0.543 19904 2322 1 4 . 1 1 46 46 LEU H H 46 7.360 7.360 7.570 -0.210 19904 2323 1 4 . 1 1 47 47 ALA N N 47 120.942 120.942 119.345 1.597 19904 2324 1 4 . 1 1 47 47 ALA HA H 47 4.072 4.072 4.380 -0.308 19904 2325 1 4 . 1 1 47 47 ALA C C 47 176.501 176.501 179.347 -2.846 19904 2326 1 4 . 1 1 47 47 ALA CA C 47 53.869 53.869 53.135 0.734 19904 2327 1 4 . 1 1 47 47 ALA CB C 47 17.600 17.600 18.049 -0.449 19904 2328 1 4 . 1 1 47 47 ALA H H 47 8.135 8.135 7.230 0.905 19904 2329 1 4 . 1 1 48 48 GLN N N 48 116.773 116.773 118.314 -1.541 19904 2330 1 4 . 1 1 48 48 GLN HA H 48 3.947 3.947 4.146 -0.199 19904 2331 1 4 . 1 1 48 48 GLN C C 48 173.703 173.703 176.454 -2.751 19904 2332 1 4 . 1 1 48 48 GLN CA C 48 57.455 57.455 57.745 -0.290 19904 2333 1 4 . 1 1 48 48 GLN CB C 48 27.999 27.999 28.709 -0.710 19904 2334 1 4 . 1 1 48 48 GLN H H 48 7.615 7.615 8.081 -0.466 19904 2335 1 4 . 1 1 49 49 HIS N N 49 116.736 116.736 114.818 1.918 19904 2336 1 4 . 1 1 49 49 HIS HA H 49 4.686 4.686 4.495 0.191 19904 2337 1 4 . 1 1 49 49 HIS C C 49 172.191 172.191 174.082 -1.891 19904 2338 1 4 . 1 1 49 49 HIS CA C 49 53.597 53.597 52.227 1.369 19904 2339 1 4 . 1 1 49 49 HIS CB C 49 28.298 28.298 27.209 1.089 19904 2340 1 4 . 1 1 49 49 HIS H H 49 7.373 7.373 7.593 -0.220 19904 2341 1 4 . 1 1 50 50 LYS N N 50 119.417 119.417 123.094 -3.677 19904 2342 1 4 . 1 1 50 50 LYS HA H 50 4.048 4.048 4.096 -0.048 19904 2343 1 4 . 1 1 50 50 LYS C C 50 174.041 174.041 176.558 -2.517 19904 2344 1 4 . 1 1 50 50 LYS CA C 50 58.207 58.207 57.067 1.140 19904 2345 1 4 . 1 1 50 50 LYS CB C 50 31.869 31.869 31.139 0.730 19904 2346 1 4 . 1 1 50 50 LYS H H 50 7.494 7.494 7.656 -0.162 19904 2347 1 4 . 1 1 51 51 GLU N N 51 117.754 117.754 119.184 -1.430 19904 2348 1 4 . 1 1 51 51 GLU HA H 51 4.097 4.097 3.839 0.258 19904 2349 1 4 . 1 1 51 51 GLU C C 51 173.337 173.337 175.271 -1.934 19904 2350 1 4 . 1 1 51 51 GLU CA C 51 57.273 57.273 56.985 0.288 19904 2351 1 4 . 1 1 51 51 GLU CB C 51 28.391 28.391 27.973 0.418 19904 2352 1 4 . 1 1 51 51 GLU H H 51 8.916 8.916 8.634 0.282 19904 2353 1 4 . 1 1 52 52 ARG N N 52 118.808 118.808 116.331 2.477 19904 2354 1 4 . 1 1 52 52 ARG HA H 52 4.511 4.511 4.435 0.076 19904 2355 1 4 . 1 1 52 52 ARG C C 52 172.824 172.824 173.433 -0.609 19904 2356 1 4 . 1 1 52 52 ARG CA C 52 55.657 55.657 54.898 0.759 19904 2357 1 4 . 1 1 52 52 ARG CB C 52 31.484 31.484 31.738 -0.254 19904 2358 1 4 . 1 1 52 52 ARG H H 52 7.708 7.708 7.595 0.113 19904 2359 1 4 . 1 1 53 53 LYS N N 53 121.953 121.953 121.264 0.689 19904 2360 1 4 . 1 1 53 53 LYS HA H 53 4.502 4.502 4.814 -0.312 19904 2361 1 4 . 1 1 53 53 LYS C C 53 173.892 173.892 174.735 -0.843 19904 2362 1 4 . 1 1 53 53 LYS CA C 53 56.580 56.580 56.569 0.011 19904 2363 1 4 . 1 1 53 53 LYS CB C 53 32.659 32.659 33.225 -0.566 19904 2364 1 4 . 1 1 53 53 LYS H H 53 8.698 8.698 8.306 0.392 19904 2365 1 4 . 1 1 54 54 THR N N 54 109.590 109.590 114.056 -4.466 19904 2366 1 4 . 1 1 54 54 THR HA H 54 4.925 4.925 5.211 -0.286 19904 2367 1 4 . 1 1 54 54 THR C C 54 171.619 171.619 173.213 -1.594 19904 2368 1 4 . 1 1 54 54 THR CA C 54 59.929 59.929 61.773 -1.844 19904 2369 1 4 . 1 1 54 54 THR CB C 54 70.010 70.010 71.635 -1.625 19904 2370 1 4 . 1 1 54 54 THR H H 54 7.485 7.485 7.781 -0.296 19904 2371 1 4 . 1 1 55 55 TRP N N 55 125.280 125.280 125.924 -0.644 19904 2372 1 4 . 1 1 55 55 TRP HA H 55 4.994 4.994 4.951 0.043 19904 2373 1 4 . 1 1 55 55 TRP C C 55 174.476 174.476 175.990 -1.514 19904 2374 1 4 . 1 1 55 55 TRP CA C 55 55.069 55.069 56.733 -1.664 19904 2375 1 4 . 1 1 55 55 TRP CB C 55 31.112 31.112 30.842 0.270 19904 2376 1 4 . 1 1 55 55 TRP H H 55 9.334 9.334 8.249 1.085 19904 2377 1 4 . 1 1 56 56 SER N N 56 122.007 122.007 117.098 4.909 19904 2378 1 4 . 1 1 56 56 SER HA H 56 4.681 4.681 4.785 -0.104 19904 2379 1 4 . 1 1 56 56 SER C C 56 172.033 172.033 175.581 -3.548 19904 2380 1 4 . 1 1 56 56 SER CA C 56 56.530 56.530 57.013 -0.483 19904 2381 1 4 . 1 1 56 56 SER CB C 56 65.129 65.129 64.961 0.168 19904 2382 1 4 . 1 1 56 56 SER H H 56 9.350 9.350 8.689 0.661 19904 2383 1 4 . 1 1 57 57 LEU N N 57 123.899 123.899 123.985 -0.086 19904 2384 1 4 . 1 1 57 57 LEU HA H 57 3.895 3.895 5.021 -1.126 19904 2385 1 4 . 1 1 57 57 LEU C C 57 175.734 175.734 178.887 -3.153 19904 2386 1 4 . 1 1 57 57 LEU CA C 57 58.307 58.307 57.805 0.502 19904 2387 1 4 . 1 1 57 57 LEU CB C 57 40.951 40.951 42.017 -1.066 19904 2388 1 4 . 1 1 57 57 LEU H H 57 8.828 8.828 8.705 0.123 19904 2389 1 4 . 1 1 58 58 ASP N N 58 115.249 115.249 117.521 -2.272 19904 2390 1 4 . 1 1 58 58 ASP HA H 58 4.183 4.183 4.617 -0.434 19904 2391 1 4 . 1 1 58 58 ASP C C 58 176.605 176.605 177.611 -1.006 19904 2392 1 4 . 1 1 58 58 ASP CA C 58 57.043 57.043 56.553 0.490 19904 2393 1 4 . 1 1 58 58 ASP CB C 58 40.308 40.308 40.941 -0.633 19904 2394 1 4 . 1 1 58 58 ASP H H 58 8.229 8.229 8.497 -0.268 19904 2395 1 4 . 1 1 59 59 GLU N N 59 118.743 118.743 119.881 -1.138 19904 2396 1 4 . 1 1 59 59 GLU HA H 59 3.912 3.912 4.325 -0.413 19904 2397 1 4 . 1 1 59 59 GLU C C 59 176.819 176.819 178.148 -1.329 19904 2398 1 4 . 1 1 59 59 GLU CA C 59 58.459 58.459 58.532 -0.073 19904 2399 1 4 . 1 1 59 59 GLU CB C 59 30.086 30.086 29.948 0.138 19904 2400 1 4 . 1 1 59 59 GLU H H 59 7.589 7.589 7.950 -0.361 19904 2401 1 4 . 1 1 60 60 PHE N N 60 121.809 121.809 120.207 1.602 19904 2402 1 4 . 1 1 60 60 PHE HA H 60 4.147 4.147 4.047 0.100 19904 2403 1 4 . 1 1 60 60 PHE C C 60 174.448 174.448 177.745 -3.297 19904 2404 1 4 . 1 1 60 60 PHE CA C 60 62.439 62.439 61.833 0.606 19904 2405 1 4 . 1 1 60 60 PHE CB C 60 38.980 38.980 39.126 -0.146 19904 2406 1 4 . 1 1 60 60 PHE H H 60 8.055 8.055 7.760 0.295 19904 2407 1 4 . 1 1 61 61 VAL N N 61 118.759 118.759 115.300 3.459 19904 2408 1 4 . 1 1 61 61 VAL HA H 61 3.465 3.465 3.601 -0.136 19904 2409 1 4 . 1 1 61 61 VAL C C 61 175.119 175.119 177.895 -2.776 19904 2410 1 4 . 1 1 61 61 VAL CA C 61 66.454 66.454 65.934 0.520 19904 2411 1 4 . 1 1 61 61 VAL CB C 61 31.345 31.345 31.472 -0.127 19904 2412 1 4 . 1 1 61 61 VAL H H 61 9.098 9.098 7.707 1.391 19904 2413 1 4 . 1 1 62 62 GLN N N 62 117.732 117.732 118.153 -0.421 19904 2414 1 4 . 1 1 62 62 GLN HA H 62 3.762 3.762 4.156 -0.394 19904 2415 1 4 . 1 1 62 62 GLN C C 62 172.363 172.363 177.580 -5.217 19904 2416 1 4 . 1 1 62 62 GLN CA C 62 59.025 59.025 58.144 0.881 19904 2417 1 4 . 1 1 62 62 GLN CB C 62 27.967 27.967 28.583 -0.616 19904 2418 1 4 . 1 1 62 62 GLN H H 62 7.462 7.462 7.907 -0.445 19904 2419 1 4 . 1 1 63 63 VAL N N 63 113.433 113.433 117.681 -4.248 19904 2420 1 4 . 1 1 63 63 VAL HA H 63 4.147 4.147 3.732 0.415 19904 2421 1 4 . 1 1 63 63 VAL C C 63 176.157 176.157 177.637 -1.480 19904 2422 1 4 . 1 1 63 63 VAL CA C 63 64.982 64.982 64.206 0.776 19904 2423 1 4 . 1 1 63 63 VAL CB C 63 30.895 30.895 31.718 -0.823 19904 2424 1 4 . 1 1 63 63 VAL H H 63 6.895 6.895 7.625 -0.730 19904 2425 1 4 . 1 1 64 64 VAL N N 64 122.958 122.958 120.677 2.281 19904 2426 1 4 . 1 1 64 64 VAL HA H 64 3.307 3.307 3.678 -0.371 19904 2427 1 4 . 1 1 64 64 VAL C C 64 176.891 176.891 178.329 -1.438 19904 2428 1 4 . 1 1 64 64 VAL CA C 64 66.872 66.872 65.646 1.226 19904 2429 1 4 . 1 1 64 64 VAL CB C 64 31.240 31.240 31.005 0.235 19904 2430 1 4 . 1 1 64 64 VAL H H 64 7.908 7.908 8.159 -0.251 19904 2431 1 4 . 1 1 65 65 ARG N N 65 118.898 118.898 118.969 -0.071 19904 2432 1 4 . 1 1 65 65 ARG HA H 65 3.754 3.754 4.035 -0.281 19904 2433 1 4 . 1 1 65 65 ARG C C 65 175.082 175.082 176.018 -0.936 19904 2434 1 4 . 1 1 65 65 ARG CA C 65 59.710 59.710 57.817 1.893 19904 2435 1 4 . 1 1 65 65 ARG CB C 65 29.819 29.819 29.953 -0.134 19904 2436 1 4 . 1 1 65 65 ARG H H 65 8.459 8.459 7.252 1.207 19904 2437 1 4 . 1 1 66 66 ASP N N 66 115.125 115.125 114.759 0.366 19904 2438 1 4 . 1 1 66 66 ASP HA H 66 4.326 4.326 4.353 -0.027 19904 2439 1 4 . 1 1 66 66 ASP C C 66 174.721 174.721 175.458 -0.737 19904 2440 1 4 . 1 1 66 66 ASP CA C 66 55.771 55.771 54.626 1.145 19904 2441 1 4 . 1 1 66 66 ASP CB C 66 41.983 41.983 40.954 1.029 19904 2442 1 4 . 1 1 66 66 ASP H H 66 7.446 7.446 8.149 -0.703 19904 2443 1 4 . 1 1 67 67 PHE N N 67 111.221 111.221 116.308 -5.087 19904 2444 1 4 . 1 1 67 67 PHE HA H 67 4.691 4.691 4.574 0.117 19904 2445 1 4 . 1 1 67 67 PHE C C 67 174.114 174.114 175.868 -1.754 19904 2446 1 4 . 1 1 67 67 PHE CA C 67 58.940 58.940 57.673 1.267 19904 2447 1 4 . 1 1 67 67 PHE CB C 67 42.781 42.781 40.779 2.002 19904 2448 1 4 . 1 1 67 67 PHE H H 67 8.044 8.044 7.056 0.988 19904 2449 1 4 . 1 1 68 68 SER N N 68 110.726 110.726 118.020 -7.294 19904 2450 1 4 . 1 1 68 68 SER HA H 68 4.313 4.313 4.442 -0.129 19904 2451 1 4 . 1 1 68 68 SER C C 68 174.559 174.559 174.594 -0.035 19904 2452 1 4 . 1 1 68 68 SER CA C 68 58.905 58.905 59.639 -0.735 19904 2453 1 4 . 1 1 68 68 SER CB C 68 65.317 65.317 63.532 1.785 19904 2454 1 4 . 1 1 68 68 SER H H 68 8.462 8.462 7.855 0.607 19904 2455 1 4 . 1 1 69 69 GLU N N 69 126.213 126.213 129.684 -3.471 19904 2456 1 4 . 1 1 69 69 GLU HA H 69 4.650 4.650 4.651 -0.001 19904 2457 1 4 . 1 1 69 69 GLU C C 69 172.201 172.201 175.175 -2.974 19904 2458 1 4 . 1 1 69 69 GLU CA C 69 55.493 55.493 55.078 0.415 19904 2459 1 4 . 1 1 69 69 GLU CB C 69 29.575 29.575 30.310 -0.735 19904 2460 1 4 . 1 1 69 69 GLU H H 69 9.298 9.298 8.065 1.233 19904 2461 1 4 . 1 1 70 70 CYS N N 70 124.210 124.210 120.512 3.698 19904 2462 1 4 . 1 1 70 70 CYS HA H 70 4.310 4.310 4.944 -0.634 19904 2463 1 4 . 1 1 70 70 CYS C C 70 173.632 173.632 176.702 -3.070 19904 2464 1 4 . 1 1 70 70 CYS CA C 70 58.718 58.718 56.392 2.326 19904 2465 1 4 . 1 1 70 70 CYS CB C 70 30.055 30.055 30.826 -0.771 19904 2466 1 4 . 1 1 70 70 CYS H H 70 7.610 7.610 7.986 -0.376 19904 2467 1 4 . 1 1 71 71 GLY N N 71 118.767 118.767 108.621 10.146 19904 2468 1 4 . 1 1 71 71 GLY C C 71 174.447 174.447 175.778 -1.331 19904 2469 1 4 . 1 1 71 71 GLY CA C 71 47.313 47.313 46.875 0.438 19904 2470 1 4 . 1 1 71 71 GLY H H 71 8.712 8.712 8.810 -0.098 19904 2471 1 4 . 1 1 72 72 SER N N 72 123.624 123.624 115.733 7.891 19904 2472 1 4 . 1 1 72 72 SER HA H 72 4.146 4.146 4.297 -0.151 19904 2473 1 4 . 1 1 72 72 SER C C 72 175.737 175.737 175.067 0.670 19904 2474 1 4 . 1 1 72 72 SER CA C 72 61.353 61.353 58.828 2.525 19904 2475 1 4 . 1 1 72 72 SER CB C 72 62.668 62.668 62.401 0.267 19904 2476 1 4 . 1 1 72 72 SER H H 72 10.436 10.436 8.023 2.413 19904 2477 1 4 . 1 1 73 73 ALA N N 73 128.994 128.994 125.727 3.267 19904 2478 1 4 . 1 1 73 73 ALA HA H 73 3.991 3.991 4.108 -0.117 19904 2479 1 4 . 1 1 73 73 ALA C C 73 176.885 176.885 179.123 -2.238 19904 2480 1 4 . 1 1 73 73 ALA CA C 73 55.115 55.115 54.742 0.373 19904 2481 1 4 . 1 1 73 73 ALA CB C 73 18.363 18.363 18.280 0.083 19904 2482 1 4 . 1 1 73 73 ALA H H 73 8.480 8.480 8.502 -0.022 19904 2483 1 4 . 1 1 74 74 LYS N N 74 119.815 119.815 119.221 0.594 19904 2484 1 4 . 1 1 74 74 LYS HA H 74 4.146 4.146 4.080 0.066 19904 2485 1 4 . 1 1 74 74 LYS C C 74 173.942 173.942 177.947 -4.005 19904 2486 1 4 . 1 1 74 74 LYS CA C 74 58.981 58.981 58.699 0.282 19904 2487 1 4 . 1 1 74 74 LYS CB C 74 32.424 32.424 32.555 -0.131 19904 2488 1 4 . 1 1 74 74 LYS H H 74 8.043 8.043 7.622 0.421 19904 2489 1 4 . 1 1 75 75 ARG N N 75 118.332 118.332 117.003 1.329 19904 2490 1 4 . 1 1 75 75 ARG HA H 75 4.742 4.742 4.599 0.143 19904 2491 1 4 . 1 1 75 75 ARG C C 75 173.269 173.269 175.286 -2.017 19904 2492 1 4 . 1 1 75 75 ARG CA C 75 54.048 54.048 55.116 -1.068 19904 2493 1 4 . 1 1 75 75 ARG CB C 75 28.796 28.796 29.770 -0.974 19904 2494 1 4 . 1 1 75 75 ARG H H 75 7.536 7.536 7.857 -0.321 19904 2495 1 4 . 1 1 76 76 ASP N N 76 115.890 115.890 117.554 -1.664 19904 2496 1 4 . 1 1 76 76 ASP HA H 76 4.310 4.310 4.271 0.039 19904 2497 1 4 . 1 1 76 76 ASP C C 76 169.530 169.530 175.876 -6.346 19904 2498 1 4 . 1 1 76 76 ASP CA C 76 56.876 56.876 55.501 1.375 19904 2499 1 4 . 1 1 76 76 ASP CB C 76 39.268 39.268 38.567 0.701 19904 2500 1 4 . 1 1 76 76 ASP H H 76 7.601 7.601 8.261 -0.660 19904 2501 1 4 . 1 1 77 77 GLY N N 77 100.656 100.656 106.405 -5.749 19904 2502 1 4 . 1 1 77 77 GLY C C 77 170.735 170.735 173.353 -2.618 19904 2503 1 4 . 1 1 77 77 GLY CA C 77 56.712 56.712 46.009 10.703 19904 2504 1 4 . 1 1 77 77 GLY H H 77 8.218 8.218 8.205 0.013 19904 2505 1 4 . 1 1 78 78 ASP N N 78 118.744 118.744 118.682 0.062 19904 2506 1 4 . 1 1 78 78 ASP HA H 78 3.085 3.085 4.849 -1.764 19904 2507 1 4 . 1 1 78 78 ASP C C 78 173.696 173.696 175.328 -1.632 19904 2508 1 4 . 1 1 78 78 ASP CA C 78 54.461 54.461 52.716 1.745 19904 2509 1 4 . 1 1 78 78 ASP CB C 78 41.330 41.330 42.447 -1.117 19904 2510 1 4 . 1 1 78 78 ASP H H 78 6.679 6.679 7.667 -0.988 19904 2511 1 4 . 1 1 79 79 LEU N N 79 127.557 127.557 123.542 4.015 19904 2512 1 4 . 1 1 79 79 LEU HA H 79 4.333 4.333 4.784 -0.451 19904 2513 1 4 . 1 1 79 79 LEU C C 79 175.311 175.311 177.230 -1.919 19904 2514 1 4 . 1 1 79 79 LEU CA C 79 54.093 54.093 54.333 -0.240 19904 2515 1 4 . 1 1 79 79 LEU CB C 79 41.896 41.896 42.792 -0.896 19904 2516 1 4 . 1 1 79 79 LEU H H 79 8.837 8.837 8.162 0.675 19904 2517 1 4 . 1 1 80 80 GLY N N 80 109.745 109.745 110.501 -0.756 19904 2518 1 4 . 1 1 80 80 GLY C C 80 169.506 169.506 173.844 -4.338 19904 2519 1 4 . 1 1 80 80 GLY CA C 80 44.467 44.467 43.801 0.666 19904 2520 1 4 . 1 1 80 80 GLY H H 80 8.744 8.744 8.418 0.326 19904 2521 1 4 . 1 1 81 81 MET N N 81 118.177 118.177 118.852 -0.675 19904 2522 1 4 . 1 1 81 81 MET HA H 81 4.560 4.560 4.346 0.214 19904 2523 1 4 . 1 1 81 81 MET C C 81 173.929 173.929 176.151 -2.222 19904 2524 1 4 . 1 1 81 81 MET CA C 81 53.095 53.095 56.344 -3.249 19904 2525 1 4 . 1 1 81 81 MET CB C 81 29.720 29.720 31.732 -2.012 19904 2526 1 4 . 1 1 81 81 MET H H 81 7.894 7.894 8.136 -0.242 19904 2527 1 4 . 1 1 82 82 VAL N N 82 129.209 129.209 119.115 10.094 19904 2528 1 4 . 1 1 82 82 VAL HA H 82 4.257 4.257 4.611 -0.354 19904 2529 1 4 . 1 1 82 82 VAL C C 82 172.520 172.520 174.903 -2.383 19904 2530 1 4 . 1 1 82 82 VAL CA C 82 61.786 61.786 60.385 1.401 19904 2531 1 4 . 1 1 82 82 VAL CB C 82 33.979 33.979 34.082 -0.103 19904 2532 1 4 . 1 1 82 82 VAL H H 82 9.085 9.085 8.704 0.381 19904 2533 1 4 . 1 1 83 83 GLU N N 83 125.940 125.940 124.146 1.794 19904 2534 1 4 . 1 1 83 83 GLU HA H 83 4.949 4.949 4.946 0.003 19904 2535 1 4 . 1 1 83 83 GLU C C 83 175.328 175.328 175.833 -0.505 19904 2536 1 4 . 1 1 83 83 GLU CA C 83 54.236 54.236 54.003 0.233 19904 2537 1 4 . 1 1 83 83 GLU CB C 83 31.344 31.344 32.873 -1.528 19904 2538 1 4 . 1 1 83 83 GLU H H 83 8.608 8.608 8.563 0.045 19904 2539 1 4 . 1 1 84 84 SER N N 84 121.587 121.587 121.535 0.052 19904 2540 1 4 . 1 1 84 84 SER HA H 84 4.009 4.009 3.394 0.615 19904 2541 1 4 . 1 1 84 84 SER C C 84 172.341 172.341 175.275 -2.934 19904 2542 1 4 . 1 1 84 84 SER CA C 84 59.451 59.451 59.581 -0.130 19904 2543 1 4 . 1 1 84 84 SER CB C 84 62.340 62.340 62.706 -0.366 19904 2544 1 4 . 1 1 84 84 SER H H 84 8.737 8.737 8.340 0.397 19904 2545 1 4 . 1 1 85 85 GLY N N 85 114.678 114.678 116.286 -1.608 19904 2546 1 4 . 1 1 85 85 GLY C C 85 172.501 172.501 175.451 -2.950 19904 2547 1 4 . 1 1 85 85 GLY CA C 85 45.190 45.190 45.367 -0.177 19904 2548 1 4 . 1 1 85 85 GLY H H 85 10.247 10.247 8.692 1.555 19904 2549 1 4 . 1 1 86 86 THR N N 86 117.468 117.468 115.486 1.982 19904 2550 1 4 . 1 1 86 86 THR HA H 86 4.026 4.026 4.050 -0.024 19904 2551 1 4 . 1 1 86 86 THR C C 86 172.415 172.415 175.558 -3.143 19904 2552 1 4 . 1 1 86 86 THR CA C 86 64.666 64.666 64.885 -0.219 19904 2553 1 4 . 1 1 86 86 THR CB C 86 69.421 69.421 69.287 0.134 19904 2554 1 4 . 1 1 86 86 THR H H 86 8.398 8.398 8.253 0.145 19904 2555 1 4 . 1 1 87 87 TYR N N 87 123.120 123.120 121.661 1.459 19904 2556 1 4 . 1 1 87 87 TYR HA H 87 4.355 4.355 4.332 0.023 19904 2557 1 4 . 1 1 87 87 TYR C C 87 172.035 172.035 176.003 -3.968 19904 2558 1 4 . 1 1 87 87 TYR CA C 87 57.361 57.361 58.653 -1.292 19904 2559 1 4 . 1 1 87 87 TYR CB C 87 38.651 38.651 39.152 -0.501 19904 2560 1 4 . 1 1 87 87 TYR H H 87 8.869 8.869 8.053 0.816 19904 2561 1 4 . 1 1 88 88 THR N N 88 109.212 109.212 111.805 -2.593 19904 2562 1 4 . 1 1 88 88 THR HA H 88 4.304 4.304 4.380 -0.076 19904 2563 1 4 . 1 1 88 88 THR C C 88 172.134 172.134 174.570 -2.436 19904 2564 1 4 . 1 1 88 88 THR CA C 88 61.468 61.468 61.221 0.247 19904 2565 1 4 . 1 1 88 88 THR CB C 88 70.553 70.553 70.485 0.068 19904 2566 1 4 . 1 1 88 88 THR H H 88 7.339 7.339 8.098 -0.759 19904 2567 1 4 . 1 1 89 89 GLU N N 89 122.460 122.460 124.610 -2.150 19904 2568 1 4 . 1 1 89 89 GLU HA H 89 4.058 4.058 3.745 0.313 19904 2569 1 4 . 1 1 89 89 GLU C C 89 175.844 175.844 177.717 -1.873 19904 2570 1 4 . 1 1 89 89 GLU CA C 89 59.853 59.853 58.438 1.415 19904 2571 1 4 . 1 1 89 89 GLU CB C 89 29.322 29.322 29.868 -0.546 19904 2572 1 4 . 1 1 89 89 GLU H H 89 8.819 8.819 8.616 0.203 19904 2573 1 4 . 1 1 90 90 GLY N N 90 107.861 107.861 113.931 -6.070 19904 2574 1 4 . 1 1 90 90 GLY C C 90 172.835 172.835 174.356 -1.521 19904 2575 1 4 . 1 1 90 90 GLY CA C 90 46.411 46.411 45.408 1.003 19904 2576 1 4 . 1 1 90 90 GLY H H 90 8.734 8.734 9.222 -0.488 19904 2577 1 4 . 1 1 91 91 PHE N N 91 120.792 120.792 121.717 -0.925 19904 2578 1 4 . 1 1 91 91 PHE HA H 91 3.691 3.691 4.442 -0.751 19904 2579 1 4 . 1 1 91 91 PHE C C 91 173.756 173.756 175.982 -2.226 19904 2580 1 4 . 1 1 91 91 PHE CA C 91 60.625 60.625 60.752 -0.127 19904 2581 1 4 . 1 1 91 91 PHE CB C 91 39.869 39.869 40.374 -0.505 19904 2582 1 4 . 1 1 91 91 PHE H H 91 7.392 7.392 7.657 -0.265 19904 2583 1 4 . 1 1 92 92 ASP N N 92 119.990 119.990 119.025 0.965 19904 2584 1 4 . 1 1 92 92 ASP HA H 92 4.473 4.473 4.625 -0.152 19904 2585 1 4 . 1 1 92 92 ASP C C 92 176.108 176.108 178.689 -2.581 19904 2586 1 4 . 1 1 92 92 ASP CA C 92 57.792 57.792 58.286 -0.494 19904 2587 1 4 . 1 1 92 92 ASP CB C 92 40.222 40.222 40.512 -0.290 19904 2588 1 4 . 1 1 92 92 ASP H H 92 8.339 8.339 8.060 0.279 19904 2589 1 4 . 1 1 93 93 THR N N 93 114.592 114.592 112.352 2.240 19904 2590 1 4 . 1 1 93 93 THR HA H 93 3.807 3.807 4.019 -0.212 19904 2591 1 4 . 1 1 93 93 THR C C 93 173.478 173.478 175.412 -1.934 19904 2592 1 4 . 1 1 93 93 THR CA C 93 66.000 66.000 65.239 0.761 19904 2593 1 4 . 1 1 93 93 THR CB C 93 68.763 68.763 68.257 0.506 19904 2594 1 4 . 1 1 93 93 THR H H 93 8.609 8.609 8.699 -0.090 19904 2595 1 4 . 1 1 94 94 VAL N N 94 118.669 118.669 120.020 -1.351 19904 2596 1 4 . 1 1 94 94 VAL HA H 94 3.688 3.688 4.073 -0.385 19904 2597 1 4 . 1 1 94 94 VAL C C 94 176.137 176.137 177.294 -1.157 19904 2598 1 4 . 1 1 94 94 VAL CA C 94 64.692 64.692 63.225 1.467 19904 2599 1 4 . 1 1 94 94 VAL CB C 94 32.207 32.207 31.353 0.854 19904 2600 1 4 . 1 1 94 94 VAL H H 94 6.772 6.772 7.283 -0.511 19904 2601 1 4 . 1 1 95 95 ALA N N 95 123.356 123.356 123.657 -0.301 19904 2602 1 4 . 1 1 95 95 ALA HA H 95 3.128 3.128 3.684 -0.556 19904 2603 1 4 . 1 1 95 95 ALA C C 95 177.254 177.254 178.723 -1.469 19904 2604 1 4 . 1 1 95 95 ALA CA C 95 55.202 55.202 54.814 0.388 19904 2605 1 4 . 1 1 95 95 ALA CB C 95 17.905 17.905 18.022 -0.117 19904 2606 1 4 . 1 1 95 95 ALA H H 95 8.890 8.890 8.148 0.742 19904 2607 1 4 . 1 1 96 96 PHE N N 96 111.667 111.667 113.288 -1.621 19904 2608 1 4 . 1 1 96 96 PHE HA H 96 4.170 4.170 4.571 -0.401 19904 2609 1 4 . 1 1 96 96 PHE C C 96 171.898 171.898 176.434 -4.536 19904 2610 1 4 . 1 1 96 96 PHE CA C 96 61.633 61.633 58.954 2.679 19904 2611 1 4 . 1 1 96 96 PHE CB C 96 36.448 36.448 39.113 -2.665 19904 2612 1 4 . 1 1 96 96 PHE H H 96 8.431 8.431 8.362 0.069 19904 2613 1 4 . 1 1 97 97 SER N N 97 113.144 113.144 114.983 -1.839 19904 2614 1 4 . 1 1 97 97 SER HA H 97 4.635 4.635 4.521 0.114 19904 2615 1 4 . 1 1 97 97 SER C C 97 172.020 172.020 175.206 -3.186 19904 2616 1 4 . 1 1 97 97 SER CA C 97 58.521 58.521 59.357 -0.836 19904 2617 1 4 . 1 1 97 97 SER CB C 97 64.820 64.820 64.323 0.497 19904 2618 1 4 . 1 1 97 97 SER H H 97 7.348 7.348 7.813 -0.465 19904 2619 1 4 . 1 1 98 98 LEU N N 98 121.390 121.390 121.696 -0.306 19904 2620 1 4 . 1 1 98 98 LEU HA H 98 4.131 4.131 4.181 -0.050 19904 2621 1 4 . 1 1 98 98 LEU C C 98 175.754 175.754 176.448 -0.694 19904 2622 1 4 . 1 1 98 98 LEU CA C 98 55.059 55.059 55.378 -0.319 19904 2623 1 4 . 1 1 98 98 LEU CB C 98 42.757 42.757 42.081 0.676 19904 2624 1 4 . 1 1 98 98 LEU H H 98 6.790 6.790 7.830 -1.040 19904 2625 1 4 . 1 1 99 99 LYS N N 99 124.409 124.409 118.579 5.830 19904 2626 1 4 . 1 1 99 99 LYS HA H 99 4.245 4.245 4.300 -0.055 19904 2627 1 4 . 1 1 99 99 LYS C C 99 173.517 173.517 176.142 -2.625 19904 2628 1 4 . 1 1 99 99 LYS CA C 99 55.439 55.439 55.237 0.202 19904 2629 1 4 . 1 1 99 99 LYS CB C 99 32.792 32.792 33.766 -0.974 19904 2630 1 4 . 1 1 99 99 LYS H H 99 9.086 9.086 8.278 0.808 19904 2631 1 4 . 1 1 100 100 SER N N 100 115.642 115.642 114.969 0.673 19904 2632 1 4 . 1 1 100 100 SER HA H 100 3.294 3.294 4.193 -0.899 19904 2633 1 4 . 1 1 100 100 SER C C 100 172.722 172.722 175.602 -2.880 19904 2634 1 4 . 1 1 100 100 SER CA C 100 60.816 60.816 60.138 0.679 19904 2635 1 4 . 1 1 100 100 SER CB C 100 62.342 62.342 62.837 -0.495 19904 2636 1 4 . 1 1 100 100 SER H H 100 8.469 8.469 8.256 0.213 19904 2637 1 4 . 1 1 101 101 GLY N N 101 114.871 114.871 114.724 0.147 19904 2638 1 4 . 1 1 101 101 GLY C C 101 169.465 169.465 173.272 -3.807 19904 2639 1 4 . 1 1 101 101 GLY CA C 101 45.415 45.415 45.597 -0.182 19904 2640 1 4 . 1 1 101 101 GLY H H 101 8.486 8.486 8.541 -0.055 19904 2641 1 4 . 1 1 102 102 GLU N N 102 119.387 119.387 117.916 1.471 19904 2642 1 4 . 1 1 102 102 GLU HA H 102 4.742 4.742 5.034 -0.292 19904 2643 1 4 . 1 1 102 102 GLU C C 102 171.675 171.675 174.588 -2.913 19904 2644 1 4 . 1 1 102 102 GLU CA C 102 55.276 55.276 54.394 0.882 19904 2645 1 4 . 1 1 102 102 GLU CB C 102 32.307 32.307 33.844 -1.537 19904 2646 1 4 . 1 1 102 102 GLU H H 102 7.594 7.594 7.563 0.031 19904 2647 1 4 . 1 1 103 103 VAL N N 103 119.700 119.700 122.103 -2.403 19904 2648 1 4 . 1 1 103 103 VAL HA H 103 4.836 4.836 4.290 0.546 19904 2649 1 4 . 1 1 103 103 VAL C C 103 173.611 173.611 176.288 -2.677 19904 2650 1 4 . 1 1 103 103 VAL CA C 103 58.953 58.953 60.866 -1.913 19904 2651 1 4 . 1 1 103 103 VAL CB C 103 33.653 33.653 33.201 0.452 19904 2652 1 4 . 1 1 103 103 VAL H H 103 7.884 7.884 8.583 -0.699 19904 2653 1 4 . 1 1 104 104 SER N N 104 123.705 123.705 123.248 0.457 19904 2654 1 4 . 1 1 104 104 SER HA H 104 4.045 4.045 4.413 -0.368 19904 2655 1 4 . 1 1 104 104 SER C C 104 170.420 170.420 174.201 -3.781 19904 2656 1 4 . 1 1 104 104 SER CA C 104 58.515 58.515 57.935 0.580 19904 2657 1 4 . 1 1 104 104 SER CB C 104 66.400 66.400 64.519 1.881 19904 2658 1 4 . 1 1 104 104 SER H H 104 9.056 9.056 8.819 0.237 19904 2659 1 4 . 1 1 105 105 ALA N N 105 117.355 117.355 124.461 -7.106 19904 2660 1 4 . 1 1 105 105 ALA HA H 105 4.395 4.395 4.314 0.081 19904 2661 1 4 . 1 1 105 105 ALA C C 105 172.593 172.593 176.163 -3.570 19904 2662 1 4 . 1 1 105 105 ALA CA C 105 51.112 51.112 51.425 -0.313 19904 2663 1 4 . 1 1 105 105 ALA CB C 105 16.566 16.566 17.961 -1.395 19904 2664 1 4 . 1 1 105 105 ALA H H 105 7.269 7.269 8.389 -1.120 19904 2665 1 4 . 1 1 106 106 PRO HA H 106 4.684 4.684 4.328 0.356 19904 2666 1 4 . 1 1 106 106 PRO C C 106 174.527 174.527 175.747 -1.220 19904 2667 1 4 . 1 1 106 106 PRO CA C 106 63.191 63.191 62.841 0.350 19904 2668 1 4 . 1 1 106 106 PRO CB C 106 30.197 30.197 30.711 -0.514 19904 2669 1 4 . 1 1 107 107 VAL N N 107 124.996 124.996 124.370 0.626 19904 2670 1 4 . 1 1 107 107 VAL HA H 107 4.410 4.410 4.064 0.346 19904 2671 1 4 . 1 1 107 107 VAL C C 107 171.642 171.642 175.617 -3.975 19904 2672 1 4 . 1 1 107 107 VAL CA C 107 60.030 60.030 62.964 -2.934 19904 2673 1 4 . 1 1 107 107 VAL CB C 107 34.707 34.707 32.789 1.918 19904 2674 1 4 . 1 1 107 107 VAL H H 107 8.969 8.969 7.912 1.057 19904 2675 1 4 . 1 1 108 108 GLU N N 108 128.257 128.257 125.925 2.332 19904 2676 1 4 . 1 1 108 108 GLU HA H 108 5.188 5.188 5.171 0.017 19904 2677 1 4 . 1 1 108 108 GLU C C 108 173.786 173.786 176.002 -2.216 19904 2678 1 4 . 1 1 108 108 GLU CA C 108 56.033 56.033 54.957 1.076 19904 2679 1 4 . 1 1 108 108 GLU CB C 108 31.648 31.648 33.567 -1.919 19904 2680 1 4 . 1 1 108 108 GLU H H 108 8.971 8.971 8.640 0.331 19904 2681 1 4 . 1 1 109 109 THR N N 109 115.774 115.774 116.727 -0.953 19904 2682 1 4 . 1 1 109 109 THR HA H 109 4.828 4.828 4.774 0.054 19904 2683 1 4 . 1 1 109 109 THR C C 109 173.458 173.458 173.599 -0.141 19904 2684 1 4 . 1 1 109 109 THR CA C 109 61.175 61.175 60.095 1.080 19904 2685 1 4 . 1 1 109 109 THR CB C 109 72.651 72.651 70.814 1.837 19904 2686 1 4 . 1 1 109 109 THR H H 109 9.378 9.378 8.813 0.565 19904 2687 1 4 . 1 1 110 110 GLU N N 110 118.681 118.681 120.527 -1.846 19904 2688 1 4 . 1 1 110 110 GLU HA H 110 4.354 4.354 4.083 0.271 19904 2689 1 4 . 1 1 110 110 GLU C C 110 174.619 174.619 178.324 -3.705 19904 2690 1 4 . 1 1 110 110 GLU CA C 110 58.130 58.130 59.225 -1.095 19904 2691 1 4 . 1 1 110 110 GLU CB C 110 28.500 28.500 29.552 -1.052 19904 2692 1 4 . 1 1 110 110 GLU H H 110 9.445 9.445 8.725 0.720 19904 2693 1 4 . 1 1 111 111 LEU N N 111 118.396 118.396 117.116 1.280 19904 2694 1 4 . 1 1 111 111 LEU HA H 111 4.235 4.235 4.304 -0.069 19904 2695 1 4 . 1 1 111 111 LEU C C 111 173.650 173.650 177.662 -4.012 19904 2696 1 4 . 1 1 111 111 LEU CA C 111 55.074 55.074 55.968 -0.894 19904 2697 1 4 . 1 1 111 111 LEU CB C 111 41.376 41.376 42.666 -1.290 19904 2698 1 4 . 1 1 111 111 LEU H H 111 8.849 8.849 8.077 0.772 19904 2699 1 4 . 1 1 112 112 GLY N N 112 103.523 103.523 102.045 1.478 19904 2700 1 4 . 1 1 112 112 GLY C C 112 166.641 166.641 171.966 -5.325 19904 2701 1 4 . 1 1 112 112 GLY CA C 112 43.820 43.820 45.210 -1.390 19904 2702 1 4 . 1 1 112 112 GLY H H 112 7.437 7.437 7.746 -0.309 19904 2703 1 4 . 1 1 113 113 VAL N N 113 121.766 121.766 121.753 0.013 19904 2704 1 4 . 1 1 113 113 VAL HA H 113 4.636 4.636 4.880 -0.244 19904 2705 1 4 . 1 1 113 113 VAL C C 113 171.516 171.516 175.679 -4.163 19904 2706 1 4 . 1 1 113 113 VAL CA C 113 61.125 61.125 61.921 -0.796 19904 2707 1 4 . 1 1 113 113 VAL CB C 113 32.510 32.510 32.160 0.350 19904 2708 1 4 . 1 1 113 113 VAL H H 113 8.870 8.870 7.855 1.015 19904 2709 1 4 . 1 1 114 114 HIS N N 114 125.383 125.383 127.292 -1.909 19904 2710 1 4 . 1 1 114 114 HIS HA H 114 5.669 5.669 5.635 0.034 19904 2711 1 4 . 1 1 114 114 HIS C C 114 174.524 174.524 173.927 0.597 19904 2712 1 4 . 1 1 114 114 HIS CA C 114 53.960 53.960 54.326 -0.366 19904 2713 1 4 . 1 1 114 114 HIS CB C 114 30.978 30.978 33.148 -2.170 19904 2714 1 4 . 1 1 114 114 HIS H H 114 9.850 9.850 9.230 0.620 19904 2715 1 4 . 1 1 115 115 LEU N N 115 117.609 117.609 123.852 -6.243 19904 2716 1 4 . 1 1 115 115 LEU HA H 115 4.330 4.330 4.655 -0.325 19904 2717 1 4 . 1 1 115 115 LEU C C 115 172.779 172.779 175.189 -2.410 19904 2718 1 4 . 1 1 115 115 LEU CA C 115 54.545 54.545 54.425 0.120 19904 2719 1 4 . 1 1 115 115 LEU CB C 115 43.651 43.651 44.481 -0.830 19904 2720 1 4 . 1 1 115 115 LEU H H 115 8.459 8.459 8.382 0.077 19904 2721 1 4 . 1 1 116 116 ILE N N 116 124.233 124.233 124.932 -0.699 19904 2722 1 4 . 1 1 116 116 ILE HA H 116 4.391 4.391 4.838 -0.447 19904 2723 1 4 . 1 1 116 116 ILE C C 116 169.528 169.528 174.285 -4.757 19904 2724 1 4 . 1 1 116 116 ILE CA C 116 60.408 60.408 59.446 0.962 19904 2725 1 4 . 1 1 116 116 ILE CB C 116 40.360 40.360 39.822 0.538 19904 2726 1 4 . 1 1 116 116 ILE H H 116 8.597 8.597 8.217 0.380 19904 2727 1 4 . 1 1 117 117 TYR N N 117 126.661 126.661 121.966 4.695 19904 2728 1 4 . 1 1 117 117 TYR HA H 117 5.020 5.020 4.920 0.100 19904 2729 1 4 . 1 1 117 117 TYR C C 117 171.915 171.915 172.544 -0.629 19904 2730 1 4 . 1 1 117 117 TYR CA C 117 54.073 54.073 55.543 -1.470 19904 2731 1 4 . 1 1 117 117 TYR CB C 117 40.842 40.842 41.304 -0.462 19904 2732 1 4 . 1 1 117 117 TYR H H 117 8.646 8.646 7.647 0.999 19904 2733 1 4 . 1 1 118 118 ARG N N 118 126.514 126.514 122.690 3.824 19904 2734 1 4 . 1 1 118 118 ARG HA H 118 4.686 4.686 4.291 0.395 19904 2735 1 4 . 1 1 118 118 ARG C C 118 171.048 171.048 173.790 -2.742 19904 2736 1 4 . 1 1 118 118 ARG CA C 118 54.269 54.269 54.317 -0.048 19904 2737 1 4 . 1 1 118 118 ARG CB C 118 30.628 30.628 31.641 -1.013 19904 2738 1 4 . 1 1 118 118 ARG H H 118 7.162 7.162 7.899 -0.737 19904 2739 1 4 . 1 1 119 119 VAL N N 119 124.856 124.856 125.028 -0.172 19904 2740 1 4 . 1 1 119 119 VAL HA H 119 3.446 3.446 4.070 -0.624 19904 2741 1 4 . 1 1 119 119 VAL C C 119 171.576 171.576 175.148 -3.572 19904 2742 1 4 . 1 1 119 119 VAL CA C 119 62.315 62.315 59.967 2.348 19904 2743 1 4 . 1 1 119 119 VAL CB C 119 32.676 32.676 34.715 -2.039 19904 2744 1 4 . 1 1 119 119 VAL H H 119 7.418 7.418 7.960 -0.542 19904 2745 1 5 . 1 1 2 2 THR N N 2 114.985 114.985 113.668 1.317 19904 2746 1 5 . 1 1 2 2 THR HA H 2 4.233 4.233 4.605 -0.372 19904 2747 1 5 . 1 1 2 2 THR C C 2 170.697 170.697 172.697 -2.000 19904 2748 1 5 . 1 1 2 2 THR CA C 2 61.775 61.775 61.370 0.405 19904 2749 1 5 . 1 1 2 2 THR CB C 2 69.429 69.429 72.018 -2.589 19904 2750 1 5 . 1 1 2 2 THR H H 2 8.140 8.140 8.269 -0.129 19904 2751 1 5 . 1 1 3 3 GLU N N 3 121.736 121.736 120.469 1.267 19904 2752 1 5 . 1 1 3 3 GLU HA H 3 5.206 5.206 5.280 -0.074 19904 2753 1 5 . 1 1 3 3 GLU C C 3 173.028 173.028 175.369 -2.341 19904 2754 1 5 . 1 1 3 3 GLU CA C 3 54.900 54.900 54.979 -0.079 19904 2755 1 5 . 1 1 3 3 GLU CB C 3 31.659 31.659 32.445 -0.786 19904 2756 1 5 . 1 1 3 3 GLU H H 3 8.108 8.108 8.544 -0.436 19904 2757 1 5 . 1 1 4 4 ARG N N 4 120.713 120.713 123.170 -2.457 19904 2758 1 5 . 1 1 4 4 ARG HA H 4 4.360 4.360 4.490 -0.130 19904 2759 1 5 . 1 1 4 4 ARG C C 4 170.103 170.103 173.513 -3.410 19904 2760 1 5 . 1 1 4 4 ARG CA C 4 53.816 53.816 53.543 0.273 19904 2761 1 5 . 1 1 4 4 ARG CB C 4 35.162 35.162 33.200 1.962 19904 2762 1 5 . 1 1 4 4 ARG H H 4 8.309 8.309 8.393 -0.083 19904 2763 1 5 . 1 1 5 5 HIS N N 5 121.423 121.423 120.177 1.246 19904 2764 1 5 . 1 1 5 5 HIS HA H 5 5.197 5.197 4.437 0.760 19904 2765 1 5 . 1 1 5 5 HIS C C 5 170.917 170.917 172.802 -1.885 19904 2766 1 5 . 1 1 5 5 HIS CA C 5 52.151 52.151 54.275 -2.124 19904 2767 1 5 . 1 1 5 5 HIS CB C 5 29.920 29.920 30.858 -0.938 19904 2768 1 5 . 1 1 5 5 HIS H H 5 8.591 8.591 8.141 0.450 19904 2769 1 5 . 1 1 6 6 PHE N N 6 122.961 122.961 120.701 2.260 19904 2770 1 5 . 1 1 6 6 PHE HA H 6 6.042 6.042 4.432 1.610 19904 2771 1 5 . 1 1 6 6 PHE C C 6 171.599 171.599 172.887 -1.288 19904 2772 1 5 . 1 1 6 6 PHE CA C 6 55.284 55.284 54.275 1.009 19904 2773 1 5 . 1 1 6 6 PHE CB C 6 43.276 43.276 39.548 3.728 19904 2774 1 5 . 1 1 6 6 PHE H H 6 7.523 7.523 8.034 -0.511 19904 2775 1 5 . 1 1 7 7 TYR N N 7 119.822 119.822 116.830 2.992 19904 2776 1 5 . 1 1 7 7 TYR HA H 7 5.692 5.692 5.186 0.506 19904 2777 1 5 . 1 1 7 7 TYR C C 7 173.785 173.785 174.648 -0.863 19904 2778 1 5 . 1 1 7 7 TYR CA C 7 55.865 55.865 56.499 -0.634 19904 2779 1 5 . 1 1 7 7 TYR CB C 7 44.067 44.067 41.289 2.778 19904 2780 1 5 . 1 1 7 7 TYR H H 7 9.313 9.313 8.122 1.191 19904 2781 1 5 . 1 1 8 8 HIS N N 8 114.648 114.648 115.725 -1.077 19904 2782 1 5 . 1 1 8 8 HIS HA H 8 6.178 6.178 5.915 0.263 19904 2783 1 5 . 1 1 8 8 HIS C C 8 170.959 170.959 174.249 -3.290 19904 2784 1 5 . 1 1 8 8 HIS CA C 8 54.875 54.875 53.485 1.390 19904 2785 1 5 . 1 1 8 8 HIS CB C 8 36.453 36.453 34.358 2.095 19904 2786 1 5 . 1 1 8 8 HIS H H 8 9.369 9.369 8.589 0.780 19904 2787 1 5 . 1 1 9 9 VAL N N 9 120.650 120.650 119.680 0.970 19904 2788 1 5 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.979 -0.418 19904 2789 1 5 . 1 1 9 9 VAL C C 9 170.078 170.078 173.795 -3.717 19904 2790 1 5 . 1 1 9 9 VAL CA C 9 61.367 61.367 61.298 0.069 19904 2791 1 5 . 1 1 9 9 VAL CB C 9 34.926 34.926 33.657 1.269 19904 2792 1 5 . 1 1 9 9 VAL H H 9 8.936 8.936 8.267 0.669 19904 2793 1 5 . 1 1 10 10 LEU N N 10 125.870 125.870 129.785 -3.915 19904 2794 1 5 . 1 1 10 10 LEU HA H 10 4.614 4.614 4.772 -0.158 19904 2795 1 5 . 1 1 10 10 LEU C C 10 171.186 171.186 174.711 -3.525 19904 2796 1 5 . 1 1 10 10 LEU CA C 10 52.217 52.217 53.589 -1.372 19904 2797 1 5 . 1 1 10 10 LEU CB C 10 46.523 46.523 43.358 3.166 19904 2798 1 5 . 1 1 10 10 LEU H H 10 7.452 7.452 8.772 -1.320 19904 2799 1 5 . 1 1 11 11 VAL N N 11 128.355 128.355 125.105 3.250 19904 2800 1 5 . 1 1 11 11 VAL HA H 11 4.086 4.086 4.469 -0.383 19904 2801 1 5 . 1 1 11 11 VAL C C 11 173.155 173.155 174.009 -0.854 19904 2802 1 5 . 1 1 11 11 VAL CA C 11 61.124 61.124 60.902 0.222 19904 2803 1 5 . 1 1 11 11 VAL CB C 11 32.522 32.522 33.050 -0.528 19904 2804 1 5 . 1 1 11 11 VAL H H 11 9.422 9.422 8.636 0.786 19904 2805 1 5 . 1 1 12 12 LYS N N 12 123.610 123.610 129.465 -5.855 19904 2806 1 5 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.442 -0.227 19904 2807 1 5 . 1 1 12 12 LYS C C 12 170.645 170.645 175.517 -4.872 19904 2808 1 5 . 1 1 12 12 LYS CA C 12 56.259 56.259 56.113 0.146 19904 2809 1 5 . 1 1 12 12 LYS CB C 12 34.702 34.702 34.219 0.483 19904 2810 1 5 . 1 1 12 12 LYS H H 12 9.071 9.071 8.763 0.308 19904 2811 1 5 . 1 1 13 13 HIS N N 13 110.414 110.414 115.716 -5.302 19904 2812 1 5 . 1 1 13 13 HIS HA H 13 4.396 4.396 4.685 -0.289 19904 2813 1 5 . 1 1 13 13 HIS C C 13 172.651 172.651 174.785 -2.134 19904 2814 1 5 . 1 1 13 13 HIS CA C 13 54.368 54.368 55.438 -1.070 19904 2815 1 5 . 1 1 13 13 HIS CB C 13 33.731 33.731 32.428 1.303 19904 2816 1 5 . 1 1 13 13 HIS H H 13 6.186 6.186 8.171 -1.985 19904 2817 1 5 . 1 1 14 14 LYS N N 14 115.373 115.373 121.125 -5.752 19904 2818 1 5 . 1 1 14 14 LYS HA H 14 4.074 4.074 4.091 -0.017 19904 2819 1 5 . 1 1 14 14 LYS C C 14 172.860 172.860 176.803 -3.943 19904 2820 1 5 . 1 1 14 14 LYS CA C 14 58.131 58.131 56.362 1.769 19904 2821 1 5 . 1 1 14 14 LYS CB C 14 32.074 32.074 31.683 0.391 19904 2822 1 5 . 1 1 14 14 LYS H H 14 9.074 9.074 8.183 0.891 19904 2823 1 5 . 1 1 15 15 ASP N N 15 119.786 119.786 118.191 1.595 19904 2824 1 5 . 1 1 15 15 ASP HA H 15 5.117 5.117 4.578 0.539 19904 2825 1 5 . 1 1 15 15 ASP C C 15 173.969 173.969 176.124 -2.155 19904 2826 1 5 . 1 1 15 15 ASP CA C 15 54.644 54.644 54.215 0.430 19904 2827 1 5 . 1 1 15 15 ASP CB C 15 41.772 41.772 41.491 0.281 19904 2828 1 5 . 1 1 15 15 ASP H H 15 8.951 8.951 7.187 1.764 19904 2829 1 5 . 1 1 16 16 VAL N N 16 113.297 113.297 116.469 -3.172 19904 2830 1 5 . 1 1 16 16 VAL HA H 16 4.353 4.353 4.083 0.270 19904 2831 1 5 . 1 1 16 16 VAL C C 16 172.635 172.635 176.144 -3.509 19904 2832 1 5 . 1 1 16 16 VAL CA C 16 60.510 60.510 61.466 -0.956 19904 2833 1 5 . 1 1 16 16 VAL CB C 16 31.450 31.450 32.282 -0.832 19904 2834 1 5 . 1 1 16 16 VAL H H 16 6.826 6.826 7.245 -0.419 19904 2835 1 5 . 1 1 17 17 ARG N N 17 119.898 119.898 120.426 -0.528 19904 2836 1 5 . 1 1 17 17 ARG HA H 17 3.990 3.990 4.198 -0.208 19904 2837 1 5 . 1 1 17 17 ARG C C 17 174.690 174.690 176.955 -2.265 19904 2838 1 5 . 1 1 17 17 ARG CA C 17 58.501 58.501 58.517 -0.016 19904 2839 1 5 . 1 1 17 17 ARG CB C 17 29.664 29.664 30.489 -0.825 19904 2840 1 5 . 1 1 17 17 ARG H H 17 8.305 8.305 8.572 -0.267 19904 2841 1 5 . 1 1 18 18 ARG N N 18 116.580 116.580 117.179 -0.599 19904 2842 1 5 . 1 1 18 18 ARG HA H 18 4.643 4.643 4.750 -0.107 19904 2843 1 5 . 1 1 18 18 ARG C C 18 171.330 171.330 174.521 -3.191 19904 2844 1 5 . 1 1 18 18 ARG CA C 18 53.059 53.059 53.711 -0.652 19904 2845 1 5 . 1 1 18 18 ARG CB C 18 29.538 29.538 30.037 -0.499 19904 2846 1 5 . 1 1 18 18 ARG H H 18 8.304 8.304 8.308 -0.004 19904 2847 1 5 . 1 1 19 19 PRO HA H 19 4.177 4.177 4.575 -0.398 19904 2848 1 5 . 1 1 19 19 PRO C C 19 171.575 171.575 176.997 -5.422 19904 2849 1 5 . 1 1 19 19 PRO CA C 19 62.693 62.693 63.642 -0.949 19904 2850 1 5 . 1 1 19 19 PRO CB C 19 27.756 27.756 32.172 -4.416 19904 2851 1 5 . 1 1 20 20 SER N N 20 119.112 119.112 114.723 4.389 19904 2852 1 5 . 1 1 20 20 SER HA H 20 5.172 5.172 4.392 0.780 19904 2853 1 5 . 1 1 20 20 SER C C 20 171.036 171.036 174.144 -3.108 19904 2854 1 5 . 1 1 20 20 SER CA C 20 56.630 56.630 58.681 -2.050 19904 2855 1 5 . 1 1 20 20 SER CB C 20 65.310 65.310 64.045 1.265 19904 2856 1 5 . 1 1 20 20 SER H H 20 8.587 8.587 8.132 0.455 19904 2857 1 5 . 1 1 21 21 SER N N 21 116.758 116.758 119.032 -2.274 19904 2858 1 5 . 1 1 21 21 SER HA H 21 4.448 4.448 4.569 -0.121 19904 2859 1 5 . 1 1 21 21 SER C C 21 173.204 173.204 172.805 0.399 19904 2860 1 5 . 1 1 21 21 SER CA C 21 57.984 57.984 58.104 -0.120 19904 2861 1 5 . 1 1 21 21 SER CB C 21 63.579 63.579 63.083 0.496 19904 2862 1 5 . 1 1 21 21 SER H H 21 9.000 9.000 8.396 0.604 19904 2863 1 5 . 1 1 22 22 LEU N N 22 129.332 129.332 127.128 2.204 19904 2864 1 5 . 1 1 22 22 LEU HA H 22 4.560 4.560 4.516 0.044 19904 2865 1 5 . 1 1 22 22 LEU C C 22 172.591 172.591 175.407 -2.816 19904 2866 1 5 . 1 1 22 22 LEU CA C 22 53.332 53.332 52.482 0.850 19904 2867 1 5 . 1 1 22 22 LEU CB C 22 41.996 41.996 39.681 2.315 19904 2868 1 5 . 1 1 22 22 LEU H H 22 8.292 8.292 8.259 0.033 19904 2869 1 5 . 1 1 23 23 ALA N N 23 125.266 125.266 125.042 0.224 19904 2870 1 5 . 1 1 23 23 ALA HA H 23 4.174 4.174 4.833 -0.659 19904 2871 1 5 . 1 1 23 23 ALA C C 23 176.009 176.009 175.577 0.432 19904 2872 1 5 . 1 1 23 23 ALA CA C 23 50.357 50.357 49.522 0.835 19904 2873 1 5 . 1 1 23 23 ALA CB C 23 18.298 18.298 19.615 -1.317 19904 2874 1 5 . 1 1 23 23 ALA H H 23 7.521 7.521 7.462 0.059 19904 2875 1 5 . 1 1 24 24 PRO HA H 24 4.406 4.406 4.428 -0.022 19904 2876 1 5 . 1 1 24 24 PRO C C 24 175.951 175.951 177.124 -1.173 19904 2877 1 5 . 1 1 24 24 PRO CA C 24 64.918 64.918 64.348 0.570 19904 2878 1 5 . 1 1 24 24 PRO CB C 24 31.480 31.480 32.057 -0.577 19904 2879 1 5 . 1 1 25 25 ARG N N 25 113.570 113.570 116.817 -3.247 19904 2880 1 5 . 1 1 25 25 ARG HA H 25 3.997 3.997 4.374 -0.377 19904 2881 1 5 . 1 1 25 25 ARG C C 25 173.076 173.076 175.948 -2.872 19904 2882 1 5 . 1 1 25 25 ARG CA C 25 57.993 57.993 56.800 1.193 19904 2883 1 5 . 1 1 25 25 ARG CB C 25 29.623 29.623 30.322 -0.699 19904 2884 1 5 . 1 1 25 25 ARG H H 25 7.997 7.997 8.014 -0.017 19904 2885 1 5 . 1 1 26 26 ASN N N 26 118.698 118.698 116.979 1.719 19904 2886 1 5 . 1 1 26 26 ASN HA H 26 4.684 4.684 4.757 -0.073 19904 2887 1 5 . 1 1 26 26 ASN C C 26 171.211 171.211 174.244 -3.033 19904 2888 1 5 . 1 1 26 26 ASN CA C 26 51.481 51.481 52.195 -0.714 19904 2889 1 5 . 1 1 26 26 ASN CB C 26 36.343 36.343 38.274 -1.931 19904 2890 1 5 . 1 1 26 26 ASN H H 26 7.314 7.314 7.939 -0.625 19904 2891 1 5 . 1 1 27 27 LYS N N 27 122.069 122.069 119.992 2.077 19904 2892 1 5 . 1 1 27 27 LYS HA H 27 3.545 3.545 4.196 -0.651 19904 2893 1 5 . 1 1 27 27 LYS C C 27 175.308 175.308 177.364 -2.056 19904 2894 1 5 . 1 1 27 27 LYS CA C 27 58.932 58.932 57.535 1.397 19904 2895 1 5 . 1 1 27 27 LYS CB C 27 32.223 32.223 32.575 -0.352 19904 2896 1 5 . 1 1 27 27 LYS H H 27 6.739 6.739 7.787 -1.048 19904 2897 1 5 . 1 1 28 28 GLY N N 28 115.186 115.186 109.872 5.314 19904 2898 1 5 . 1 1 28 28 GLY C C 28 172.044 172.044 173.904 -1.860 19904 2899 1 5 . 1 1 28 28 GLY CA C 28 44.167 44.167 44.856 -0.689 19904 2900 1 5 . 1 1 28 28 GLY H H 28 9.170 9.170 8.637 0.533 19904 2901 1 5 . 1 1 29 29 GLU N N 29 123.612 123.612 122.106 1.506 19904 2902 1 5 . 1 1 29 29 GLU HA H 29 3.988 3.988 4.321 -0.333 19904 2903 1 5 . 1 1 29 29 GLU C C 29 173.511 173.511 175.142 -1.631 19904 2904 1 5 . 1 1 29 29 GLU CA C 29 57.456 57.456 56.376 1.081 19904 2905 1 5 . 1 1 29 29 GLU CB C 29 29.848 29.848 30.658 -0.810 19904 2906 1 5 . 1 1 29 29 GLU H H 29 8.247 8.247 7.730 0.517 19904 2907 1 5 . 1 1 30 30 LYS N N 30 127.143 127.143 123.099 4.044 19904 2908 1 5 . 1 1 30 30 LYS HA H 30 4.136 4.136 4.614 -0.478 19904 2909 1 5 . 1 1 30 30 LYS C C 30 173.356 173.356 175.555 -2.199 19904 2910 1 5 . 1 1 30 30 LYS CA C 30 57.006 57.006 55.154 1.852 19904 2911 1 5 . 1 1 30 30 LYS CB C 30 32.352 32.352 35.664 -3.312 19904 2912 1 5 . 1 1 30 30 LYS H H 30 8.580 8.580 8.420 0.160 19904 2913 1 5 . 1 1 31 31 ILE N N 31 125.431 125.431 122.812 2.619 19904 2914 1 5 . 1 1 31 31 ILE HA H 31 4.126 4.126 4.311 -0.185 19904 2915 1 5 . 1 1 31 31 ILE C C 31 172.968 172.968 175.707 -2.739 19904 2916 1 5 . 1 1 31 31 ILE CA C 31 58.365 58.365 60.933 -2.568 19904 2917 1 5 . 1 1 31 31 ILE CB C 31 35.846 35.846 39.800 -3.954 19904 2918 1 5 . 1 1 31 31 ILE H H 31 8.136 8.136 8.242 -0.106 19904 2919 1 5 . 1 1 32 32 THR N N 32 116.000 116.000 119.209 -3.209 19904 2920 1 5 . 1 1 32 32 THR HA H 32 4.391 4.391 4.452 -0.061 19904 2921 1 5 . 1 1 32 32 THR C C 32 172.242 172.242 174.294 -2.052 19904 2922 1 5 . 1 1 32 32 THR CA C 32 60.626 60.626 61.649 -1.023 19904 2923 1 5 . 1 1 32 32 THR CB C 32 69.692 69.692 69.279 0.413 19904 2924 1 5 . 1 1 32 32 THR H H 32 8.501 8.501 8.395 0.106 19904 2925 1 5 . 1 1 33 33 ARG N N 33 122.696 122.696 121.962 0.734 19904 2926 1 5 . 1 1 33 33 ARG HA H 33 4.516 4.516 4.500 0.016 19904 2927 1 5 . 1 1 33 33 ARG C C 33 171.016 171.016 175.763 -4.747 19904 2928 1 5 . 1 1 33 33 ARG CA C 33 55.200 55.200 55.782 -0.582 19904 2929 1 5 . 1 1 33 33 ARG CB C 33 29.990 29.990 31.399 -1.409 19904 2930 1 5 . 1 1 33 33 ARG H H 33 7.156 7.156 7.856 -0.700 19904 2931 1 5 . 1 1 34 34 SER N N 34 117.773 117.773 113.694 4.079 19904 2932 1 5 . 1 1 34 34 SER HA H 34 4.536 4.536 5.111 -0.575 19904 2933 1 5 . 1 1 34 34 SER C C 34 172.654 172.654 176.040 -3.386 19904 2934 1 5 . 1 1 34 34 SER CA C 34 57.072 57.072 57.121 -0.049 19904 2935 1 5 . 1 1 34 34 SER CB C 34 65.763 65.763 65.120 0.643 19904 2936 1 5 . 1 1 34 34 SER H H 34 9.144 9.144 8.207 0.936 19904 2937 1 5 . 1 1 35 35 ARG N N 35 122.568 122.568 120.838 1.730 19904 2938 1 5 . 1 1 35 35 ARG HA H 35 3.362 3.362 3.977 -0.615 19904 2939 1 5 . 1 1 35 35 ARG C C 35 174.904 174.904 178.259 -3.355 19904 2940 1 5 . 1 1 35 35 ARG CA C 35 60.234 60.234 59.404 0.830 19904 2941 1 5 . 1 1 35 35 ARG CB C 35 29.363 29.363 28.894 0.469 19904 2942 1 5 . 1 1 35 35 ARG H H 35 8.904 8.904 8.682 0.222 19904 2943 1 5 . 1 1 36 36 ALA N N 36 120.049 120.049 119.391 0.658 19904 2944 1 5 . 1 1 36 36 ALA HA H 36 3.861 3.861 4.083 -0.222 19904 2945 1 5 . 1 1 36 36 ALA C C 36 177.495 177.495 179.846 -2.351 19904 2946 1 5 . 1 1 36 36 ALA CA C 36 54.849 54.849 54.590 0.259 19904 2947 1 5 . 1 1 36 36 ALA CB C 36 17.598 17.598 17.839 -0.241 19904 2948 1 5 . 1 1 36 36 ALA H H 36 8.120 8.120 8.459 -0.339 19904 2949 1 5 . 1 1 37 37 ASP N N 37 118.222 118.222 118.913 -0.691 19904 2950 1 5 . 1 1 37 37 ASP HA H 37 4.313 4.313 4.457 -0.144 19904 2951 1 5 . 1 1 37 37 ASP C C 37 176.547 176.547 178.068 -1.521 19904 2952 1 5 . 1 1 37 37 ASP CA C 37 56.653 56.653 57.133 -0.479 19904 2953 1 5 . 1 1 37 37 ASP CB C 37 40.656 40.656 41.107 -0.451 19904 2954 1 5 . 1 1 37 37 ASP H H 37 7.877 7.877 8.001 -0.124 19904 2955 1 5 . 1 1 38 38 ALA N N 38 124.726 124.726 123.020 1.706 19904 2956 1 5 . 1 1 38 38 ALA HA H 38 3.928 3.928 3.922 0.006 19904 2957 1 5 . 1 1 38 38 ALA C C 38 175.791 175.791 179.408 -3.617 19904 2958 1 5 . 1 1 38 38 ALA CA C 38 55.163 55.163 55.375 -0.212 19904 2959 1 5 . 1 1 38 38 ALA CB C 38 18.040 18.040 18.656 -0.616 19904 2960 1 5 . 1 1 38 38 ALA H H 38 8.269 8.269 7.388 0.881 19904 2961 1 5 . 1 1 39 39 ILE N N 39 119.010 119.010 117.774 1.236 19904 2962 1 5 . 1 1 39 39 ILE HA H 39 3.476 3.476 3.517 -0.041 19904 2963 1 5 . 1 1 39 39 ILE C C 39 175.129 175.129 178.081 -2.952 19904 2964 1 5 . 1 1 39 39 ILE CA C 39 65.121 65.121 66.055 -0.934 19904 2965 1 5 . 1 1 39 39 ILE CB C 39 37.411 37.411 37.718 -0.307 19904 2966 1 5 . 1 1 39 39 ILE H H 39 7.974 7.974 8.032 -0.058 19904 2967 1 5 . 1 1 40 40 ASN N N 40 117.393 117.393 117.747 -0.354 19904 2968 1 5 . 1 1 40 40 ASN HA H 40 4.332 4.332 4.455 -0.123 19904 2969 1 5 . 1 1 40 40 ASN C C 40 175.608 175.608 177.657 -2.049 19904 2970 1 5 . 1 1 40 40 ASN CA C 40 55.865 55.865 55.914 -0.049 19904 2971 1 5 . 1 1 40 40 ASN CB C 40 37.589 37.589 38.611 -1.022 19904 2972 1 5 . 1 1 40 40 ASN H H 40 8.122 8.122 7.521 0.601 19904 2973 1 5 . 1 1 41 41 LEU N N 41 123.846 123.846 121.956 1.890 19904 2974 1 5 . 1 1 41 41 LEU HA H 41 4.127 4.127 3.664 0.463 19904 2975 1 5 . 1 1 41 41 LEU C C 41 175.147 175.147 177.680 -2.533 19904 2976 1 5 . 1 1 41 41 LEU CA C 41 57.816 57.816 57.995 -0.179 19904 2977 1 5 . 1 1 41 41 LEU CB C 41 41.589 41.589 41.132 0.457 19904 2978 1 5 . 1 1 41 41 LEU H H 41 8.220 8.220 7.863 0.357 19904 2979 1 5 . 1 1 42 42 ALA N N 42 120.677 120.677 119.526 1.151 19904 2980 1 5 . 1 1 42 42 ALA HA H 42 3.763 3.763 3.687 0.076 19904 2981 1 5 . 1 1 42 42 ALA C C 42 176.512 176.512 179.713 -3.201 19904 2982 1 5 . 1 1 42 42 ALA CA C 42 55.411 55.411 55.273 0.138 19904 2983 1 5 . 1 1 42 42 ALA CB C 42 17.619 17.619 18.096 -0.477 19904 2984 1 5 . 1 1 42 42 ALA H H 42 7.959 7.959 7.556 0.403 19904 2985 1 5 . 1 1 43 43 GLN N N 43 114.196 114.196 117.218 -3.022 19904 2986 1 5 . 1 1 43 43 GLN HA H 43 3.963 3.963 4.011 -0.048 19904 2987 1 5 . 1 1 43 43 GLN C C 43 176.189 176.189 178.516 -2.327 19904 2988 1 5 . 1 1 43 43 GLN CA C 43 58.629 58.629 58.447 0.182 19904 2989 1 5 . 1 1 43 43 GLN CB C 43 27.777 27.777 28.669 -0.892 19904 2990 1 5 . 1 1 43 43 GLN H H 43 8.275 8.275 7.582 0.693 19904 2991 1 5 . 1 1 44 44 ALA N N 44 124.632 124.632 122.442 2.190 19904 2992 1 5 . 1 1 44 44 ALA HA H 44 4.092 4.092 4.015 0.077 19904 2993 1 5 . 1 1 44 44 ALA C C 44 178.108 178.108 179.285 -1.177 19904 2994 1 5 . 1 1 44 44 ALA CA C 44 54.752 54.752 54.667 0.085 19904 2995 1 5 . 1 1 44 44 ALA CB C 44 17.241 17.241 18.507 -1.266 19904 2996 1 5 . 1 1 44 44 ALA H H 44 8.134 8.134 7.891 0.243 19904 2997 1 5 . 1 1 45 45 ILE N N 45 120.659 120.659 118.304 2.355 19904 2998 1 5 . 1 1 45 45 ILE HA H 45 3.323 3.323 3.738 -0.415 19904 2999 1 5 . 1 1 45 45 ILE C C 45 176.240 176.240 178.455 -2.215 19904 3000 1 5 . 1 1 45 45 ILE CA C 45 65.254 65.254 65.123 0.132 19904 3001 1 5 . 1 1 45 45 ILE CB C 45 37.531 37.531 38.018 -0.487 19904 3002 1 5 . 1 1 45 45 ILE H H 45 7.970 7.970 8.123 -0.153 19904 3003 1 5 . 1 1 46 46 LEU N N 46 117.950 117.950 117.691 0.259 19904 3004 1 5 . 1 1 46 46 LEU HA H 46 4.223 4.223 4.349 -0.126 19904 3005 1 5 . 1 1 46 46 LEU C C 46 177.868 177.868 177.740 0.128 19904 3006 1 5 . 1 1 46 46 LEU CA C 46 57.585 57.585 57.904 -0.319 19904 3007 1 5 . 1 1 46 46 LEU CB C 46 41.627 41.627 41.111 0.516 19904 3008 1 5 . 1 1 46 46 LEU H H 46 7.360 7.360 7.566 -0.206 19904 3009 1 5 . 1 1 47 47 ALA N N 47 120.942 120.942 119.294 1.648 19904 3010 1 5 . 1 1 47 47 ALA HA H 47 4.072 4.072 4.330 -0.258 19904 3011 1 5 . 1 1 47 47 ALA C C 47 176.501 176.501 179.388 -2.887 19904 3012 1 5 . 1 1 47 47 ALA CA C 47 53.869 53.869 53.165 0.704 19904 3013 1 5 . 1 1 47 47 ALA CB C 47 17.600 17.600 18.017 -0.416 19904 3014 1 5 . 1 1 47 47 ALA H H 47 8.135 8.135 7.207 0.928 19904 3015 1 5 . 1 1 48 48 GLN N N 48 116.773 116.773 118.303 -1.530 19904 3016 1 5 . 1 1 48 48 GLN HA H 48 3.947 3.947 4.160 -0.213 19904 3017 1 5 . 1 1 48 48 GLN C C 48 173.703 173.703 176.876 -3.173 19904 3018 1 5 . 1 1 48 48 GLN CA C 48 57.455 57.455 57.694 -0.239 19904 3019 1 5 . 1 1 48 48 GLN CB C 48 27.999 27.999 28.665 -0.665 19904 3020 1 5 . 1 1 48 48 GLN H H 48 7.615 7.615 8.184 -0.569 19904 3021 1 5 . 1 1 49 49 HIS N N 49 116.736 116.736 116.075 0.661 19904 3022 1 5 . 1 1 49 49 HIS HA H 49 4.686 4.686 4.516 0.170 19904 3023 1 5 . 1 1 49 49 HIS C C 49 172.191 172.191 173.873 -1.682 19904 3024 1 5 . 1 1 49 49 HIS CA C 49 53.597 53.597 52.213 1.384 19904 3025 1 5 . 1 1 49 49 HIS CB C 49 28.298 28.298 26.814 1.484 19904 3026 1 5 . 1 1 49 49 HIS H H 49 7.373 7.373 7.654 -0.281 19904 3027 1 5 . 1 1 50 50 LYS N N 50 119.417 119.417 123.295 -3.878 19904 3028 1 5 . 1 1 50 50 LYS HA H 50 4.048 4.048 4.090 -0.042 19904 3029 1 5 . 1 1 50 50 LYS C C 50 174.041 174.041 176.572 -2.531 19904 3030 1 5 . 1 1 50 50 LYS CA C 50 58.207 58.207 57.435 0.772 19904 3031 1 5 . 1 1 50 50 LYS CB C 50 31.869 31.869 31.555 0.314 19904 3032 1 5 . 1 1 50 50 LYS H H 50 7.494 7.494 7.655 -0.161 19904 3033 1 5 . 1 1 51 51 GLU N N 51 117.754 117.754 119.413 -1.659 19904 3034 1 5 . 1 1 51 51 GLU HA H 51 4.097 4.097 3.830 0.267 19904 3035 1 5 . 1 1 51 51 GLU C C 51 173.337 173.337 175.373 -2.036 19904 3036 1 5 . 1 1 51 51 GLU CA C 51 57.273 57.273 57.004 0.269 19904 3037 1 5 . 1 1 51 51 GLU CB C 51 28.391 28.391 27.778 0.613 19904 3038 1 5 . 1 1 51 51 GLU H H 51 8.916 8.916 8.648 0.268 19904 3039 1 5 . 1 1 52 52 ARG N N 52 118.808 118.808 116.500 2.308 19904 3040 1 5 . 1 1 52 52 ARG HA H 52 4.511 4.511 4.419 0.092 19904 3041 1 5 . 1 1 52 52 ARG C C 52 172.824 172.824 173.448 -0.624 19904 3042 1 5 . 1 1 52 52 ARG CA C 52 55.657 55.657 55.006 0.651 19904 3043 1 5 . 1 1 52 52 ARG CB C 52 31.484 31.484 31.974 -0.490 19904 3044 1 5 . 1 1 52 52 ARG H H 52 7.708 7.708 7.638 0.070 19904 3045 1 5 . 1 1 53 53 LYS N N 53 121.953 121.953 120.713 1.240 19904 3046 1 5 . 1 1 53 53 LYS HA H 53 4.502 4.502 4.782 -0.280 19904 3047 1 5 . 1 1 53 53 LYS C C 53 173.892 173.892 174.802 -0.910 19904 3048 1 5 . 1 1 53 53 LYS CA C 53 56.580 56.580 56.224 0.356 19904 3049 1 5 . 1 1 53 53 LYS CB C 53 32.659 32.659 33.068 -0.409 19904 3050 1 5 . 1 1 53 53 LYS H H 53 8.698 8.698 8.281 0.417 19904 3051 1 5 . 1 1 54 54 THR N N 54 109.590 109.590 114.349 -4.759 19904 3052 1 5 . 1 1 54 54 THR HA H 54 4.925 4.925 5.177 -0.252 19904 3053 1 5 . 1 1 54 54 THR C C 54 171.619 171.619 173.431 -1.812 19904 3054 1 5 . 1 1 54 54 THR CA C 54 59.929 59.929 61.375 -1.446 19904 3055 1 5 . 1 1 54 54 THR CB C 54 70.010 70.010 71.619 -1.609 19904 3056 1 5 . 1 1 54 54 THR H H 54 7.485 7.485 7.779 -0.294 19904 3057 1 5 . 1 1 55 55 TRP N N 55 125.280 125.280 126.607 -1.327 19904 3058 1 5 . 1 1 55 55 TRP HA H 55 4.994 4.994 4.858 0.136 19904 3059 1 5 . 1 1 55 55 TRP C C 55 174.476 174.476 175.768 -1.292 19904 3060 1 5 . 1 1 55 55 TRP CA C 55 55.069 55.069 56.692 -1.623 19904 3061 1 5 . 1 1 55 55 TRP CB C 55 31.112 31.112 31.124 -0.012 19904 3062 1 5 . 1 1 55 55 TRP H H 55 9.334 9.334 8.337 0.997 19904 3063 1 5 . 1 1 56 56 SER N N 56 122.007 122.007 116.196 5.811 19904 3064 1 5 . 1 1 56 56 SER HA H 56 4.681 4.681 4.723 -0.042 19904 3065 1 5 . 1 1 56 56 SER C C 56 172.033 172.033 175.230 -3.197 19904 3066 1 5 . 1 1 56 56 SER CA C 56 56.530 56.530 57.010 -0.480 19904 3067 1 5 . 1 1 56 56 SER CB C 56 65.129 65.129 65.008 0.121 19904 3068 1 5 . 1 1 56 56 SER H H 56 9.350 9.350 8.573 0.777 19904 3069 1 5 . 1 1 57 57 LEU N N 57 123.899 123.899 122.855 1.044 19904 3070 1 5 . 1 1 57 57 LEU HA H 57 3.895 3.895 4.921 -1.026 19904 3071 1 5 . 1 1 57 57 LEU C C 57 175.734 175.734 178.632 -2.898 19904 3072 1 5 . 1 1 57 57 LEU CA C 57 58.307 58.307 57.826 0.481 19904 3073 1 5 . 1 1 57 57 LEU CB C 57 40.951 40.951 42.090 -1.139 19904 3074 1 5 . 1 1 57 57 LEU H H 57 8.828 8.828 8.508 0.320 19904 3075 1 5 . 1 1 58 58 ASP N N 58 115.249 115.249 117.741 -2.492 19904 3076 1 5 . 1 1 58 58 ASP HA H 58 4.183 4.183 4.585 -0.402 19904 3077 1 5 . 1 1 58 58 ASP C C 58 176.605 176.605 177.503 -0.898 19904 3078 1 5 . 1 1 58 58 ASP CA C 58 57.043 57.043 56.516 0.527 19904 3079 1 5 . 1 1 58 58 ASP CB C 58 40.308 40.308 40.929 -0.621 19904 3080 1 5 . 1 1 58 58 ASP H H 58 8.229 8.229 8.479 -0.251 19904 3081 1 5 . 1 1 59 59 GLU N N 59 118.743 118.743 120.009 -1.266 19904 3082 1 5 . 1 1 59 59 GLU HA H 59 3.912 3.912 4.301 -0.389 19904 3083 1 5 . 1 1 59 59 GLU C C 59 176.819 176.819 178.113 -1.294 19904 3084 1 5 . 1 1 59 59 GLU CA C 59 58.459 58.459 58.442 0.017 19904 3085 1 5 . 1 1 59 59 GLU CB C 59 30.086 30.086 29.938 0.148 19904 3086 1 5 . 1 1 59 59 GLU H H 59 7.589 7.589 7.934 -0.345 19904 3087 1 5 . 1 1 60 60 PHE N N 60 121.809 121.809 120.251 1.558 19904 3088 1 5 . 1 1 60 60 PHE HA H 60 4.147 4.147 4.061 0.086 19904 3089 1 5 . 1 1 60 60 PHE C C 60 174.448 174.448 177.753 -3.305 19904 3090 1 5 . 1 1 60 60 PHE CA C 60 62.439 62.439 61.852 0.586 19904 3091 1 5 . 1 1 60 60 PHE CB C 60 38.980 38.980 39.153 -0.173 19904 3092 1 5 . 1 1 60 60 PHE H H 60 8.055 8.055 7.740 0.315 19904 3093 1 5 . 1 1 61 61 VAL N N 61 118.759 118.759 115.265 3.494 19904 3094 1 5 . 1 1 61 61 VAL HA H 61 3.465 3.465 3.608 -0.143 19904 3095 1 5 . 1 1 61 61 VAL C C 61 175.119 175.119 177.902 -2.783 19904 3096 1 5 . 1 1 61 61 VAL CA C 61 66.454 66.454 65.956 0.498 19904 3097 1 5 . 1 1 61 61 VAL CB C 61 31.345 31.345 31.435 -0.090 19904 3098 1 5 . 1 1 61 61 VAL H H 61 9.098 9.098 7.705 1.393 19904 3099 1 5 . 1 1 62 62 GLN N N 62 117.732 117.732 117.666 0.066 19904 3100 1 5 . 1 1 62 62 GLN HA H 62 3.762 3.762 4.160 -0.398 19904 3101 1 5 . 1 1 62 62 GLN C C 62 172.363 172.363 177.495 -5.132 19904 3102 1 5 . 1 1 62 62 GLN CA C 62 59.025 59.025 57.762 1.263 19904 3103 1 5 . 1 1 62 62 GLN CB C 62 27.967 27.967 28.720 -0.753 19904 3104 1 5 . 1 1 62 62 GLN H H 62 7.462 7.462 7.863 -0.401 19904 3105 1 5 . 1 1 63 63 VAL N N 63 113.433 113.433 118.193 -4.760 19904 3106 1 5 . 1 1 63 63 VAL HA H 63 4.147 4.147 3.658 0.489 19904 3107 1 5 . 1 1 63 63 VAL C C 63 176.157 176.157 177.483 -1.326 19904 3108 1 5 . 1 1 63 63 VAL CA C 63 64.982 64.982 64.663 0.319 19904 3109 1 5 . 1 1 63 63 VAL CB C 63 30.895 30.895 31.936 -1.040 19904 3110 1 5 . 1 1 63 63 VAL H H 63 6.895 6.895 7.481 -0.586 19904 3111 1 5 . 1 1 64 64 VAL N N 64 122.958 122.958 120.115 2.843 19904 3112 1 5 . 1 1 64 64 VAL HA H 64 3.307 3.307 3.637 -0.330 19904 3113 1 5 . 1 1 64 64 VAL C C 64 176.891 176.891 177.961 -1.070 19904 3114 1 5 . 1 1 64 64 VAL CA C 64 66.872 66.872 65.675 1.197 19904 3115 1 5 . 1 1 64 64 VAL CB C 64 31.240 31.240 30.877 0.363 19904 3116 1 5 . 1 1 64 64 VAL H H 64 7.908 7.908 8.112 -0.204 19904 3117 1 5 . 1 1 65 65 ARG N N 65 118.898 118.898 119.439 -0.541 19904 3118 1 5 . 1 1 65 65 ARG HA H 65 3.754 3.754 4.093 -0.339 19904 3119 1 5 . 1 1 65 65 ARG C C 65 175.082 175.082 176.375 -1.293 19904 3120 1 5 . 1 1 65 65 ARG CA C 65 59.710 59.710 57.711 1.999 19904 3121 1 5 . 1 1 65 65 ARG CB C 65 29.819 29.819 29.683 0.136 19904 3122 1 5 . 1 1 65 65 ARG H H 65 8.459 8.459 7.350 1.109 19904 3123 1 5 . 1 1 66 66 ASP N N 66 115.125 115.125 115.242 -0.117 19904 3124 1 5 . 1 1 66 66 ASP HA H 66 4.326 4.326 4.388 -0.062 19904 3125 1 5 . 1 1 66 66 ASP C C 66 174.721 174.721 175.486 -0.765 19904 3126 1 5 . 1 1 66 66 ASP CA C 66 55.771 55.771 55.767 0.005 19904 3127 1 5 . 1 1 66 66 ASP CB C 66 41.983 41.983 40.728 1.255 19904 3128 1 5 . 1 1 66 66 ASP H H 66 7.446 7.446 7.998 -0.552 19904 3129 1 5 . 1 1 67 67 PHE N N 67 111.221 111.221 116.918 -5.697 19904 3130 1 5 . 1 1 67 67 PHE HA H 67 4.691 4.691 4.567 0.124 19904 3131 1 5 . 1 1 67 67 PHE C C 67 174.114 174.114 175.919 -1.805 19904 3132 1 5 . 1 1 67 67 PHE CA C 67 58.940 58.940 57.157 1.783 19904 3133 1 5 . 1 1 67 67 PHE CB C 67 42.781 42.781 40.300 2.482 19904 3134 1 5 . 1 1 67 67 PHE H H 67 8.044 8.044 7.093 0.951 19904 3135 1 5 . 1 1 68 68 SER N N 68 110.726 110.726 117.034 -6.308 19904 3136 1 5 . 1 1 68 68 SER HA H 68 4.313 4.313 4.362 -0.049 19904 3137 1 5 . 1 1 68 68 SER C C 68 174.559 174.559 174.667 -0.108 19904 3138 1 5 . 1 1 68 68 SER CA C 68 58.905 58.905 59.292 -0.387 19904 3139 1 5 . 1 1 68 68 SER CB C 68 65.317 65.317 63.430 1.887 19904 3140 1 5 . 1 1 68 68 SER H H 68 8.462 8.462 7.839 0.623 19904 3141 1 5 . 1 1 69 69 GLU N N 69 126.213 126.213 127.637 -1.424 19904 3142 1 5 . 1 1 69 69 GLU HA H 69 4.650 4.650 4.635 0.015 19904 3143 1 5 . 1 1 69 69 GLU C C 69 172.201 172.201 175.001 -2.800 19904 3144 1 5 . 1 1 69 69 GLU CA C 69 55.493 55.493 55.098 0.395 19904 3145 1 5 . 1 1 69 69 GLU CB C 69 29.575 29.575 29.787 -0.212 19904 3146 1 5 . 1 1 69 69 GLU H H 69 9.298 9.298 8.271 1.027 19904 3147 1 5 . 1 1 70 70 CYS N N 70 124.210 124.210 120.632 3.578 19904 3148 1 5 . 1 1 70 70 CYS HA H 70 4.310 4.310 4.778 -0.468 19904 3149 1 5 . 1 1 70 70 CYS C C 70 173.632 173.632 176.979 -3.347 19904 3150 1 5 . 1 1 70 70 CYS CA C 70 58.718 58.718 57.156 1.562 19904 3151 1 5 . 1 1 70 70 CYS CB C 70 30.055 30.055 31.287 -1.232 19904 3152 1 5 . 1 1 70 70 CYS H H 70 7.610 7.610 8.548 -0.938 19904 3153 1 5 . 1 1 71 71 GLY N N 71 118.767 118.767 109.474 9.293 19904 3154 1 5 . 1 1 71 71 GLY C C 71 174.447 174.447 175.874 -1.427 19904 3155 1 5 . 1 1 71 71 GLY CA C 71 47.313 47.313 47.175 0.138 19904 3156 1 5 . 1 1 71 71 GLY H H 71 8.712 8.712 8.747 -0.035 19904 3157 1 5 . 1 1 72 72 SER N N 72 123.624 123.624 115.365 8.259 19904 3158 1 5 . 1 1 72 72 SER HA H 72 4.146 4.146 4.286 -0.140 19904 3159 1 5 . 1 1 72 72 SER C C 72 175.737 175.737 175.673 0.064 19904 3160 1 5 . 1 1 72 72 SER CA C 72 61.353 61.353 58.413 2.941 19904 3161 1 5 . 1 1 72 72 SER CB C 72 62.668 62.668 62.585 0.083 19904 3162 1 5 . 1 1 72 72 SER H H 72 10.436 10.436 8.004 2.432 19904 3163 1 5 . 1 1 73 73 ALA N N 73 128.994 128.994 125.538 3.456 19904 3164 1 5 . 1 1 73 73 ALA HA H 73 3.991 3.991 3.995 -0.004 19904 3165 1 5 . 1 1 73 73 ALA C C 73 176.885 176.885 179.133 -2.248 19904 3166 1 5 . 1 1 73 73 ALA CA C 73 55.115 55.115 55.113 0.002 19904 3167 1 5 . 1 1 73 73 ALA CB C 73 18.363 18.363 18.312 0.051 19904 3168 1 5 . 1 1 73 73 ALA H H 73 8.480 8.480 8.351 0.129 19904 3169 1 5 . 1 1 74 74 LYS N N 74 119.815 119.815 117.277 2.538 19904 3170 1 5 . 1 1 74 74 LYS HA H 74 4.146 4.146 4.031 0.115 19904 3171 1 5 . 1 1 74 74 LYS C C 74 173.942 173.942 177.356 -3.414 19904 3172 1 5 . 1 1 74 74 LYS CA C 74 58.981 58.981 58.947 0.034 19904 3173 1 5 . 1 1 74 74 LYS CB C 74 32.424 32.424 32.458 -0.034 19904 3174 1 5 . 1 1 74 74 LYS H H 74 8.043 8.043 7.722 0.321 19904 3175 1 5 . 1 1 75 75 ARG N N 75 118.332 118.332 115.569 2.763 19904 3176 1 5 . 1 1 75 75 ARG HA H 75 4.742 4.742 4.575 0.167 19904 3177 1 5 . 1 1 75 75 ARG C C 75 173.269 173.269 175.592 -2.323 19904 3178 1 5 . 1 1 75 75 ARG CA C 75 54.048 54.048 54.956 -0.908 19904 3179 1 5 . 1 1 75 75 ARG CB C 75 28.796 28.796 29.902 -1.106 19904 3180 1 5 . 1 1 75 75 ARG H H 75 7.536 7.536 7.951 -0.415 19904 3181 1 5 . 1 1 76 76 ASP N N 76 115.890 115.890 118.500 -2.610 19904 3182 1 5 . 1 1 76 76 ASP HA H 76 4.310 4.310 4.284 0.026 19904 3183 1 5 . 1 1 76 76 ASP C C 76 169.530 169.530 175.863 -6.333 19904 3184 1 5 . 1 1 76 76 ASP CA C 76 56.876 56.876 55.679 1.197 19904 3185 1 5 . 1 1 76 76 ASP CB C 76 39.268 39.268 38.435 0.833 19904 3186 1 5 . 1 1 76 76 ASP H H 76 7.601 7.601 8.644 -1.043 19904 3187 1 5 . 1 1 77 77 GLY N N 77 100.656 100.656 104.868 -4.212 19904 3188 1 5 . 1 1 77 77 GLY C C 77 170.735 170.735 173.791 -3.056 19904 3189 1 5 . 1 1 77 77 GLY CA C 77 56.712 56.712 45.991 10.721 19904 3190 1 5 . 1 1 77 77 GLY H H 77 8.218 8.218 8.026 0.192 19904 3191 1 5 . 1 1 78 78 ASP N N 78 118.744 118.744 119.895 -1.151 19904 3192 1 5 . 1 1 78 78 ASP HA H 78 3.085 3.085 4.987 -1.902 19904 3193 1 5 . 1 1 78 78 ASP C C 78 173.696 173.696 176.021 -2.325 19904 3194 1 5 . 1 1 78 78 ASP CA C 78 54.461 54.461 54.325 0.135 19904 3195 1 5 . 1 1 78 78 ASP CB C 78 41.330 41.330 41.211 0.119 19904 3196 1 5 . 1 1 78 78 ASP H H 78 6.679 6.679 7.539 -0.860 19904 3197 1 5 . 1 1 79 79 LEU N N 79 127.557 127.557 124.718 2.839 19904 3198 1 5 . 1 1 79 79 LEU HA H 79 4.333 4.333 4.654 -0.321 19904 3199 1 5 . 1 1 79 79 LEU C C 79 175.311 175.311 177.443 -2.132 19904 3200 1 5 . 1 1 79 79 LEU CA C 79 54.093 54.093 54.612 -0.519 19904 3201 1 5 . 1 1 79 79 LEU CB C 79 41.896 41.896 42.186 -0.290 19904 3202 1 5 . 1 1 79 79 LEU H H 79 8.837 8.837 8.231 0.606 19904 3203 1 5 . 1 1 80 80 GLY N N 80 109.745 109.745 110.553 -0.808 19904 3204 1 5 . 1 1 80 80 GLY C C 80 169.506 169.506 173.849 -4.343 19904 3205 1 5 . 1 1 80 80 GLY CA C 80 44.467 44.467 43.809 0.658 19904 3206 1 5 . 1 1 80 80 GLY H H 80 8.744 8.744 8.334 0.410 19904 3207 1 5 . 1 1 81 81 MET N N 81 118.177 118.177 117.652 0.525 19904 3208 1 5 . 1 1 81 81 MET HA H 81 4.560 4.560 4.190 0.370 19904 3209 1 5 . 1 1 81 81 MET C C 81 173.929 173.929 175.613 -1.684 19904 3210 1 5 . 1 1 81 81 MET CA C 81 53.095 53.095 56.087 -2.992 19904 3211 1 5 . 1 1 81 81 MET CB C 81 29.720 29.720 31.751 -2.031 19904 3212 1 5 . 1 1 81 81 MET H H 81 7.894 7.894 8.007 -0.113 19904 3213 1 5 . 1 1 82 82 VAL N N 82 129.209 129.209 125.176 4.033 19904 3214 1 5 . 1 1 82 82 VAL HA H 82 4.257 4.257 4.381 -0.124 19904 3215 1 5 . 1 1 82 82 VAL C C 82 172.520 172.520 174.339 -1.819 19904 3216 1 5 . 1 1 82 82 VAL CA C 82 61.786 61.786 60.571 1.215 19904 3217 1 5 . 1 1 82 82 VAL CB C 82 33.979 33.979 35.167 -1.188 19904 3218 1 5 . 1 1 82 82 VAL H H 82 9.085 9.085 8.560 0.525 19904 3219 1 5 . 1 1 83 83 GLU N N 83 125.940 125.940 127.470 -1.530 19904 3220 1 5 . 1 1 83 83 GLU HA H 83 4.949 4.949 4.726 0.223 19904 3221 1 5 . 1 1 83 83 GLU C C 83 175.328 175.328 175.625 -0.297 19904 3222 1 5 . 1 1 83 83 GLU CA C 83 54.236 54.236 54.713 -0.477 19904 3223 1 5 . 1 1 83 83 GLU CB C 83 31.344 31.344 31.636 -0.292 19904 3224 1 5 . 1 1 83 83 GLU H H 83 8.608 8.608 8.599 0.009 19904 3225 1 5 . 1 1 84 84 SER N N 84 121.587 121.587 120.129 1.458 19904 3226 1 5 . 1 1 84 84 SER HA H 84 4.009 4.009 3.776 0.233 19904 3227 1 5 . 1 1 84 84 SER C C 84 172.341 172.341 174.805 -2.464 19904 3228 1 5 . 1 1 84 84 SER CA C 84 59.451 59.451 59.937 -0.486 19904 3229 1 5 . 1 1 84 84 SER CB C 84 62.340 62.340 63.012 -0.672 19904 3230 1 5 . 1 1 84 84 SER H H 84 8.737 8.737 8.647 0.090 19904 3231 1 5 . 1 1 85 85 GLY N N 85 114.678 114.678 113.834 0.844 19904 3232 1 5 . 1 1 85 85 GLY C C 85 172.501 172.501 174.517 -2.016 19904 3233 1 5 . 1 1 85 85 GLY CA C 85 45.190 45.190 45.189 0.001 19904 3234 1 5 . 1 1 85 85 GLY H H 85 10.247 10.247 8.564 1.683 19904 3235 1 5 . 1 1 86 86 THR N N 86 117.468 117.468 114.343 3.125 19904 3236 1 5 . 1 1 86 86 THR HA H 86 4.026 4.026 4.201 -0.175 19904 3237 1 5 . 1 1 86 86 THR C C 86 172.415 172.415 175.646 -3.231 19904 3238 1 5 . 1 1 86 86 THR CA C 86 64.666 64.666 62.315 2.351 19904 3239 1 5 . 1 1 86 86 THR CB C 86 69.421 69.421 69.626 -0.205 19904 3240 1 5 . 1 1 86 86 THR H H 86 8.398 8.398 7.616 0.782 19904 3241 1 5 . 1 1 87 87 TYR N N 87 123.120 123.120 122.002 1.118 19904 3242 1 5 . 1 1 87 87 TYR HA H 87 4.355 4.355 4.234 0.121 19904 3243 1 5 . 1 1 87 87 TYR C C 87 172.035 172.035 175.821 -3.786 19904 3244 1 5 . 1 1 87 87 TYR CA C 87 57.361 57.361 58.617 -1.256 19904 3245 1 5 . 1 1 87 87 TYR CB C 87 38.651 38.651 38.707 -0.056 19904 3246 1 5 . 1 1 87 87 TYR H H 87 8.869 8.869 8.369 0.500 19904 3247 1 5 . 1 1 88 88 THR N N 88 109.212 109.212 112.547 -3.335 19904 3248 1 5 . 1 1 88 88 THR HA H 88 4.304 4.304 4.333 -0.029 19904 3249 1 5 . 1 1 88 88 THR C C 88 172.134 172.134 174.445 -2.311 19904 3250 1 5 . 1 1 88 88 THR CA C 88 61.468 61.468 61.209 0.259 19904 3251 1 5 . 1 1 88 88 THR CB C 88 70.553 70.553 69.826 0.727 19904 3252 1 5 . 1 1 88 88 THR H H 88 7.339 7.339 8.056 -0.717 19904 3253 1 5 . 1 1 89 89 GLU N N 89 122.460 122.460 119.643 2.817 19904 3254 1 5 . 1 1 89 89 GLU HA H 89 4.058 4.058 3.994 0.064 19904 3255 1 5 . 1 1 89 89 GLU C C 89 175.844 175.844 177.648 -1.804 19904 3256 1 5 . 1 1 89 89 GLU CA C 89 59.853 59.853 58.639 1.214 19904 3257 1 5 . 1 1 89 89 GLU CB C 89 29.322 29.322 29.740 -0.418 19904 3258 1 5 . 1 1 89 89 GLU H H 89 8.819 8.819 8.411 0.408 19904 3259 1 5 . 1 1 90 90 GLY N N 90 107.861 107.861 113.262 -5.401 19904 3260 1 5 . 1 1 90 90 GLY C C 90 172.835 172.835 174.370 -1.535 19904 3261 1 5 . 1 1 90 90 GLY CA C 90 46.411 46.411 45.515 0.896 19904 3262 1 5 . 1 1 90 90 GLY H H 90 8.734 8.734 9.095 -0.361 19904 3263 1 5 . 1 1 91 91 PHE N N 91 120.792 120.792 122.051 -1.259 19904 3264 1 5 . 1 1 91 91 PHE HA H 91 3.691 3.691 4.389 -0.698 19904 3265 1 5 . 1 1 91 91 PHE C C 91 173.756 173.756 175.457 -1.701 19904 3266 1 5 . 1 1 91 91 PHE CA C 91 60.625 60.625 60.374 0.251 19904 3267 1 5 . 1 1 91 91 PHE CB C 91 39.869 39.869 40.226 -0.357 19904 3268 1 5 . 1 1 91 91 PHE H H 91 7.392 7.392 7.366 0.026 19904 3269 1 5 . 1 1 92 92 ASP N N 92 119.990 119.990 118.288 1.702 19904 3270 1 5 . 1 1 92 92 ASP HA H 92 4.473 4.473 4.659 -0.186 19904 3271 1 5 . 1 1 92 92 ASP C C 92 176.108 176.108 178.364 -2.256 19904 3272 1 5 . 1 1 92 92 ASP CA C 92 57.792 57.792 57.114 0.678 19904 3273 1 5 . 1 1 92 92 ASP CB C 92 40.222 40.222 40.855 -0.633 19904 3274 1 5 . 1 1 92 92 ASP H H 92 8.339 8.339 8.105 0.234 19904 3275 1 5 . 1 1 93 93 THR N N 93 114.592 114.592 113.614 0.978 19904 3276 1 5 . 1 1 93 93 THR HA H 93 3.807 3.807 4.180 -0.373 19904 3277 1 5 . 1 1 93 93 THR C C 93 173.478 173.478 175.423 -1.945 19904 3278 1 5 . 1 1 93 93 THR CA C 93 66.000 66.000 64.808 1.192 19904 3279 1 5 . 1 1 93 93 THR CB C 93 68.763 68.763 69.039 -0.276 19904 3280 1 5 . 1 1 93 93 THR H H 93 8.609 8.609 8.361 0.248 19904 3281 1 5 . 1 1 94 94 VAL N N 94 118.669 118.669 120.433 -1.764 19904 3282 1 5 . 1 1 94 94 VAL HA H 94 3.688 3.688 4.008 -0.320 19904 3283 1 5 . 1 1 94 94 VAL C C 94 176.137 176.137 177.051 -0.914 19904 3284 1 5 . 1 1 94 94 VAL CA C 94 64.692 64.692 64.785 -0.093 19904 3285 1 5 . 1 1 94 94 VAL CB C 94 32.207 32.207 32.118 0.089 19904 3286 1 5 . 1 1 94 94 VAL H H 94 6.772 6.772 7.271 -0.499 19904 3287 1 5 . 1 1 95 95 ALA N N 95 123.356 123.356 122.678 0.678 19904 3288 1 5 . 1 1 95 95 ALA HA H 95 3.128 3.128 3.753 -0.625 19904 3289 1 5 . 1 1 95 95 ALA C C 95 177.254 177.254 178.126 -0.872 19904 3290 1 5 . 1 1 95 95 ALA CA C 95 55.202 55.202 54.786 0.416 19904 3291 1 5 . 1 1 95 95 ALA CB C 95 17.905 17.905 18.051 -0.146 19904 3292 1 5 . 1 1 95 95 ALA H H 95 8.890 8.890 8.080 0.810 19904 3293 1 5 . 1 1 96 96 PHE N N 96 111.667 111.667 114.020 -2.353 19904 3294 1 5 . 1 1 96 96 PHE HA H 96 4.170 4.170 4.645 -0.475 19904 3295 1 5 . 1 1 96 96 PHE C C 96 171.898 171.898 177.426 -5.528 19904 3296 1 5 . 1 1 96 96 PHE CA C 96 61.633 61.633 58.538 3.095 19904 3297 1 5 . 1 1 96 96 PHE CB C 96 36.448 36.448 39.362 -2.914 19904 3298 1 5 . 1 1 96 96 PHE H H 96 8.431 8.431 7.770 0.661 19904 3299 1 5 . 1 1 97 97 SER N N 97 113.144 113.144 117.031 -3.887 19904 3300 1 5 . 1 1 97 97 SER HA H 97 4.635 4.635 4.517 0.118 19904 3301 1 5 . 1 1 97 97 SER C C 97 172.020 172.020 175.310 -3.290 19904 3302 1 5 . 1 1 97 97 SER CA C 97 58.521 58.521 59.896 -1.375 19904 3303 1 5 . 1 1 97 97 SER CB C 97 64.820 64.820 63.804 1.016 19904 3304 1 5 . 1 1 97 97 SER H H 97 7.348 7.348 7.836 -0.488 19904 3305 1 5 . 1 1 98 98 LEU N N 98 121.390 121.390 120.936 0.454 19904 3306 1 5 . 1 1 98 98 LEU HA H 98 4.131 4.131 4.158 -0.027 19904 3307 1 5 . 1 1 98 98 LEU C C 98 175.754 175.754 176.143 -0.389 19904 3308 1 5 . 1 1 98 98 LEU CA C 98 55.059 55.059 55.375 -0.316 19904 3309 1 5 . 1 1 98 98 LEU CB C 98 42.757 42.757 41.966 0.791 19904 3310 1 5 . 1 1 98 98 LEU H H 98 6.790 6.790 7.900 -1.110 19904 3311 1 5 . 1 1 99 99 LYS N N 99 124.409 124.409 118.326 6.083 19904 3312 1 5 . 1 1 99 99 LYS HA H 99 4.245 4.245 4.374 -0.129 19904 3313 1 5 . 1 1 99 99 LYS C C 99 173.517 173.517 176.253 -2.736 19904 3314 1 5 . 1 1 99 99 LYS CA C 99 55.439 55.439 55.530 -0.091 19904 3315 1 5 . 1 1 99 99 LYS CB C 99 32.792 32.792 33.517 -0.725 19904 3316 1 5 . 1 1 99 99 LYS H H 99 9.086 9.086 8.303 0.783 19904 3317 1 5 . 1 1 100 100 SER N N 100 115.642 115.642 115.648 -0.006 19904 3318 1 5 . 1 1 100 100 SER HA H 100 3.294 3.294 4.206 -0.912 19904 3319 1 5 . 1 1 100 100 SER C C 100 172.722 172.722 175.483 -2.761 19904 3320 1 5 . 1 1 100 100 SER CA C 100 60.816 60.816 59.752 1.064 19904 3321 1 5 . 1 1 100 100 SER CB C 100 62.342 62.342 62.920 -0.578 19904 3322 1 5 . 1 1 100 100 SER H H 100 8.469 8.469 8.308 0.161 19904 3323 1 5 . 1 1 101 101 GLY N N 101 114.871 114.871 112.314 2.557 19904 3324 1 5 . 1 1 101 101 GLY C C 101 169.465 169.465 173.365 -3.900 19904 3325 1 5 . 1 1 101 101 GLY CA C 101 45.415 45.415 45.640 -0.225 19904 3326 1 5 . 1 1 101 101 GLY H H 101 8.486 8.486 8.584 -0.098 19904 3327 1 5 . 1 1 102 102 GLU N N 102 119.387 119.387 117.974 1.413 19904 3328 1 5 . 1 1 102 102 GLU HA H 102 4.742 4.742 5.055 -0.313 19904 3329 1 5 . 1 1 102 102 GLU C C 102 171.675 171.675 174.690 -3.015 19904 3330 1 5 . 1 1 102 102 GLU CA C 102 55.276 55.276 54.355 0.921 19904 3331 1 5 . 1 1 102 102 GLU CB C 102 32.307 32.307 34.115 -1.808 19904 3332 1 5 . 1 1 102 102 GLU H H 102 7.594 7.594 7.594 -0.000 19904 3333 1 5 . 1 1 103 103 VAL N N 103 119.700 119.700 121.862 -2.162 19904 3334 1 5 . 1 1 103 103 VAL HA H 103 4.836 4.836 4.265 0.571 19904 3335 1 5 . 1 1 103 103 VAL C C 103 173.611 173.611 176.066 -2.455 19904 3336 1 5 . 1 1 103 103 VAL CA C 103 58.953 58.953 61.210 -2.257 19904 3337 1 5 . 1 1 103 103 VAL CB C 103 33.653 33.653 33.692 -0.039 19904 3338 1 5 . 1 1 103 103 VAL H H 103 7.884 7.884 8.614 -0.730 19904 3339 1 5 . 1 1 104 104 SER N N 104 123.705 123.705 123.749 -0.044 19904 3340 1 5 . 1 1 104 104 SER HA H 104 4.045 4.045 4.478 -0.433 19904 3341 1 5 . 1 1 104 104 SER C C 104 170.420 170.420 174.364 -3.944 19904 3342 1 5 . 1 1 104 104 SER CA C 104 58.515 58.515 57.798 0.717 19904 3343 1 5 . 1 1 104 104 SER CB C 104 66.400 66.400 63.754 2.646 19904 3344 1 5 . 1 1 104 104 SER H H 104 9.056 9.056 8.641 0.415 19904 3345 1 5 . 1 1 105 105 ALA N N 105 117.355 117.355 122.753 -5.398 19904 3346 1 5 . 1 1 105 105 ALA HA H 105 4.395 4.395 4.327 0.068 19904 3347 1 5 . 1 1 105 105 ALA C C 105 172.593 172.593 176.391 -3.798 19904 3348 1 5 . 1 1 105 105 ALA CA C 105 51.112 51.112 51.224 -0.112 19904 3349 1 5 . 1 1 105 105 ALA CB C 105 16.566 16.566 18.008 -1.442 19904 3350 1 5 . 1 1 105 105 ALA H H 105 7.269 7.269 8.326 -1.057 19904 3351 1 5 . 1 1 106 106 PRO HA H 106 4.684 4.684 4.325 0.359 19904 3352 1 5 . 1 1 106 106 PRO C C 106 174.527 174.527 175.639 -1.112 19904 3353 1 5 . 1 1 106 106 PRO CA C 106 63.191 63.191 62.558 0.633 19904 3354 1 5 . 1 1 106 106 PRO CB C 106 30.197 30.197 30.719 -0.522 19904 3355 1 5 . 1 1 107 107 VAL N N 107 124.996 124.996 124.755 0.241 19904 3356 1 5 . 1 1 107 107 VAL HA H 107 4.410 4.410 4.073 0.337 19904 3357 1 5 . 1 1 107 107 VAL C C 107 171.642 171.642 175.708 -4.066 19904 3358 1 5 . 1 1 107 107 VAL CA C 107 60.030 60.030 62.291 -2.261 19904 3359 1 5 . 1 1 107 107 VAL CB C 107 34.707 34.707 32.880 1.827 19904 3360 1 5 . 1 1 107 107 VAL H H 107 8.969 8.969 7.944 1.025 19904 3361 1 5 . 1 1 108 108 GLU N N 108 128.257 128.257 126.938 1.319 19904 3362 1 5 . 1 1 108 108 GLU HA H 108 5.188 5.188 5.030 0.158 19904 3363 1 5 . 1 1 108 108 GLU C C 108 173.786 173.786 175.440 -1.654 19904 3364 1 5 . 1 1 108 108 GLU CA C 108 56.033 56.033 55.118 0.915 19904 3365 1 5 . 1 1 108 108 GLU CB C 108 31.648 31.648 32.052 -0.404 19904 3366 1 5 . 1 1 108 108 GLU H H 108 8.971 8.971 8.637 0.334 19904 3367 1 5 . 1 1 109 109 THR N N 109 115.774 115.774 121.465 -5.691 19904 3368 1 5 . 1 1 109 109 THR HA H 109 4.828 4.828 4.726 0.102 19904 3369 1 5 . 1 1 109 109 THR C C 109 173.458 173.458 173.931 -0.473 19904 3370 1 5 . 1 1 109 109 THR CA C 109 61.175 61.175 60.380 0.795 19904 3371 1 5 . 1 1 109 109 THR CB C 109 72.651 72.651 70.346 2.305 19904 3372 1 5 . 1 1 109 109 THR H H 109 9.378 9.378 8.716 0.662 19904 3373 1 5 . 1 1 110 110 GLU N N 110 118.681 118.681 120.788 -2.107 19904 3374 1 5 . 1 1 110 110 GLU HA H 110 4.354 4.354 4.099 0.255 19904 3375 1 5 . 1 1 110 110 GLU C C 110 174.619 174.619 177.843 -3.224 19904 3376 1 5 . 1 1 110 110 GLU CA C 110 58.130 58.130 58.876 -0.746 19904 3377 1 5 . 1 1 110 110 GLU CB C 110 28.500 28.500 29.549 -1.049 19904 3378 1 5 . 1 1 110 110 GLU H H 110 9.445 9.445 8.733 0.712 19904 3379 1 5 . 1 1 111 111 LEU N N 111 118.396 118.396 117.287 1.109 19904 3380 1 5 . 1 1 111 111 LEU HA H 111 4.235 4.235 4.343 -0.107 19904 3381 1 5 . 1 1 111 111 LEU C C 111 173.650 173.650 176.969 -3.319 19904 3382 1 5 . 1 1 111 111 LEU CA C 111 55.074 55.074 55.907 -0.833 19904 3383 1 5 . 1 1 111 111 LEU CB C 111 41.376 41.376 42.869 -1.493 19904 3384 1 5 . 1 1 111 111 LEU H H 111 8.849 8.849 7.903 0.946 19904 3385 1 5 . 1 1 112 112 GLY N N 112 103.523 103.523 101.558 1.965 19904 3386 1 5 . 1 1 112 112 GLY C C 112 166.641 166.641 171.979 -5.338 19904 3387 1 5 . 1 1 112 112 GLY CA C 112 43.820 43.820 45.035 -1.214 19904 3388 1 5 . 1 1 112 112 GLY H H 112 7.437 7.437 7.641 -0.204 19904 3389 1 5 . 1 1 113 113 VAL N N 113 121.766 121.766 121.715 0.051 19904 3390 1 5 . 1 1 113 113 VAL HA H 113 4.636 4.636 4.904 -0.269 19904 3391 1 5 . 1 1 113 113 VAL C C 113 171.516 171.516 175.562 -4.046 19904 3392 1 5 . 1 1 113 113 VAL CA C 113 61.125 61.125 61.963 -0.838 19904 3393 1 5 . 1 1 113 113 VAL CB C 113 32.510 32.510 32.206 0.304 19904 3394 1 5 . 1 1 113 113 VAL H H 113 8.870 8.870 7.784 1.086 19904 3395 1 5 . 1 1 114 114 HIS N N 114 125.383 125.383 127.072 -1.689 19904 3396 1 5 . 1 1 114 114 HIS HA H 114 5.669 5.669 5.727 -0.058 19904 3397 1 5 . 1 1 114 114 HIS C C 114 174.524 174.524 174.009 0.515 19904 3398 1 5 . 1 1 114 114 HIS CA C 114 53.960 53.960 54.136 -0.176 19904 3399 1 5 . 1 1 114 114 HIS CB C 114 30.978 30.978 33.365 -2.387 19904 3400 1 5 . 1 1 114 114 HIS H H 114 9.850 9.850 9.193 0.657 19904 3401 1 5 . 1 1 115 115 LEU N N 115 117.609 117.609 122.587 -4.978 19904 3402 1 5 . 1 1 115 115 LEU HA H 115 4.330 4.330 4.624 -0.294 19904 3403 1 5 . 1 1 115 115 LEU C C 115 172.779 172.779 175.089 -2.310 19904 3404 1 5 . 1 1 115 115 LEU CA C 115 54.545 54.545 54.784 -0.239 19904 3405 1 5 . 1 1 115 115 LEU CB C 115 43.651 43.651 44.514 -0.862 19904 3406 1 5 . 1 1 115 115 LEU H H 115 8.459 8.459 8.262 0.197 19904 3407 1 5 . 1 1 116 116 ILE N N 116 124.233 124.233 124.398 -0.165 19904 3408 1 5 . 1 1 116 116 ILE HA H 116 4.391 4.391 4.870 -0.479 19904 3409 1 5 . 1 1 116 116 ILE C C 116 169.528 169.528 174.174 -4.646 19904 3410 1 5 . 1 1 116 116 ILE CA C 116 60.408 60.408 59.071 1.337 19904 3411 1 5 . 1 1 116 116 ILE CB C 116 40.360 40.360 39.701 0.659 19904 3412 1 5 . 1 1 116 116 ILE H H 116 8.597 8.597 8.018 0.579 19904 3413 1 5 . 1 1 117 117 TYR N N 117 126.661 126.661 121.583 5.078 19904 3414 1 5 . 1 1 117 117 TYR HA H 117 5.020 5.020 4.924 0.096 19904 3415 1 5 . 1 1 117 117 TYR C C 117 171.915 171.915 172.546 -0.631 19904 3416 1 5 . 1 1 117 117 TYR CA C 117 54.073 54.073 55.650 -1.577 19904 3417 1 5 . 1 1 117 117 TYR CB C 117 40.842 40.842 41.267 -0.425 19904 3418 1 5 . 1 1 117 117 TYR H H 117 8.646 8.646 7.644 1.002 19904 3419 1 5 . 1 1 118 118 ARG N N 118 126.514 126.514 122.830 3.684 19904 3420 1 5 . 1 1 118 118 ARG HA H 118 4.686 4.686 4.334 0.352 19904 3421 1 5 . 1 1 118 118 ARG C C 118 171.048 171.048 173.783 -2.735 19904 3422 1 5 . 1 1 118 118 ARG CA C 118 54.269 54.269 54.381 -0.112 19904 3423 1 5 . 1 1 118 118 ARG CB C 118 30.628 30.628 31.662 -1.034 19904 3424 1 5 . 1 1 118 118 ARG H H 118 7.162 7.162 7.986 -0.824 19904 3425 1 5 . 1 1 119 119 VAL N N 119 124.856 124.856 124.204 0.652 19904 3426 1 5 . 1 1 119 119 VAL HA H 119 3.446 3.446 4.126 -0.680 19904 3427 1 5 . 1 1 119 119 VAL C C 119 171.576 171.576 175.322 -3.746 19904 3428 1 5 . 1 1 119 119 VAL CA C 119 62.315 62.315 59.727 2.587 19904 3429 1 5 . 1 1 119 119 VAL CB C 119 32.676 32.676 34.837 -2.162 19904 3430 1 5 . 1 1 119 119 VAL H H 119 7.418 7.418 7.976 -0.558 19904 3431 1 6 . 1 1 2 2 THR N N 2 114.985 114.985 113.879 1.106 19904 3432 1 6 . 1 1 2 2 THR HA H 2 4.233 4.233 4.664 -0.431 19904 3433 1 6 . 1 1 2 2 THR C C 2 170.697 170.697 173.600 -2.903 19904 3434 1 6 . 1 1 2 2 THR CA C 2 61.775 61.775 61.880 -0.105 19904 3435 1 6 . 1 1 2 2 THR CB C 2 69.429 69.429 71.697 -2.268 19904 3436 1 6 . 1 1 2 2 THR H H 2 8.140 8.140 8.274 -0.134 19904 3437 1 6 . 1 1 3 3 GLU N N 3 121.736 121.736 122.517 -0.781 19904 3438 1 6 . 1 1 3 3 GLU HA H 3 5.206 5.206 5.406 -0.200 19904 3439 1 6 . 1 1 3 3 GLU C C 3 173.028 173.028 175.729 -2.701 19904 3440 1 6 . 1 1 3 3 GLU CA C 3 54.900 54.900 55.394 -0.494 19904 3441 1 6 . 1 1 3 3 GLU CB C 3 31.659 31.659 31.251 0.408 19904 3442 1 6 . 1 1 3 3 GLU H H 3 8.108 8.108 8.651 -0.543 19904 3443 1 6 . 1 1 4 4 ARG N N 4 120.713 120.713 123.285 -2.572 19904 3444 1 6 . 1 1 4 4 ARG HA H 4 4.360 4.360 4.560 -0.200 19904 3445 1 6 . 1 1 4 4 ARG C C 4 170.103 170.103 173.469 -3.366 19904 3446 1 6 . 1 1 4 4 ARG CA C 4 53.816 53.816 53.462 0.354 19904 3447 1 6 . 1 1 4 4 ARG CB C 4 35.162 35.162 34.355 0.806 19904 3448 1 6 . 1 1 4 4 ARG H H 4 8.309 8.309 8.637 -0.328 19904 3449 1 6 . 1 1 5 5 HIS N N 5 121.423 121.423 116.822 4.601 19904 3450 1 6 . 1 1 5 5 HIS HA H 5 5.197 5.197 4.719 0.478 19904 3451 1 6 . 1 1 5 5 HIS C C 5 170.917 170.917 173.135 -2.218 19904 3452 1 6 . 1 1 5 5 HIS CA C 5 52.151 52.151 54.215 -2.064 19904 3453 1 6 . 1 1 5 5 HIS CB C 5 29.920 29.920 30.396 -0.476 19904 3454 1 6 . 1 1 5 5 HIS H H 5 8.591 8.591 7.830 0.761 19904 3455 1 6 . 1 1 6 6 PHE N N 6 122.961 122.961 119.237 3.724 19904 3456 1 6 . 1 1 6 6 PHE HA H 6 6.042 6.042 4.449 1.593 19904 3457 1 6 . 1 1 6 6 PHE C C 6 171.599 171.599 173.030 -1.431 19904 3458 1 6 . 1 1 6 6 PHE CA C 6 55.284 55.284 54.633 0.651 19904 3459 1 6 . 1 1 6 6 PHE CB C 6 43.276 43.276 39.843 3.433 19904 3460 1 6 . 1 1 6 6 PHE H H 6 7.523 7.523 7.381 0.142 19904 3461 1 6 . 1 1 7 7 TYR N N 7 119.822 119.822 117.123 2.699 19904 3462 1 6 . 1 1 7 7 TYR HA H 7 5.692 5.692 5.179 0.513 19904 3463 1 6 . 1 1 7 7 TYR C C 7 173.785 173.785 174.655 -0.870 19904 3464 1 6 . 1 1 7 7 TYR CA C 7 55.865 55.865 56.572 -0.707 19904 3465 1 6 . 1 1 7 7 TYR CB C 7 44.067 44.067 41.180 2.887 19904 3466 1 6 . 1 1 7 7 TYR H H 7 9.313 9.313 8.116 1.197 19904 3467 1 6 . 1 1 8 8 HIS N N 8 114.648 114.648 116.330 -1.682 19904 3468 1 6 . 1 1 8 8 HIS HA H 8 6.178 6.178 5.881 0.297 19904 3469 1 6 . 1 1 8 8 HIS C C 8 170.959 170.959 173.978 -3.019 19904 3470 1 6 . 1 1 8 8 HIS CA C 8 54.875 54.875 53.598 1.277 19904 3471 1 6 . 1 1 8 8 HIS CB C 8 36.453 36.453 34.128 2.325 19904 3472 1 6 . 1 1 8 8 HIS H H 8 9.369 9.369 8.655 0.714 19904 3473 1 6 . 1 1 9 9 VAL N N 9 120.650 120.650 118.580 2.070 19904 3474 1 6 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.983 -0.422 19904 3475 1 6 . 1 1 9 9 VAL C C 9 170.078 170.078 173.964 -3.886 19904 3476 1 6 . 1 1 9 9 VAL CA C 9 61.367 61.367 60.951 0.416 19904 3477 1 6 . 1 1 9 9 VAL CB C 9 34.926 34.926 33.786 1.140 19904 3478 1 6 . 1 1 9 9 VAL H H 9 8.936 8.936 8.180 0.756 19904 3479 1 6 . 1 1 10 10 LEU N N 10 125.870 125.870 129.287 -3.417 19904 3480 1 6 . 1 1 10 10 LEU HA H 10 4.614 4.614 4.831 -0.217 19904 3481 1 6 . 1 1 10 10 LEU C C 10 171.186 171.186 175.094 -3.908 19904 3482 1 6 . 1 1 10 10 LEU CA C 10 52.217 52.217 53.547 -1.330 19904 3483 1 6 . 1 1 10 10 LEU CB C 10 46.523 46.523 43.893 2.630 19904 3484 1 6 . 1 1 10 10 LEU H H 10 7.452 7.452 8.478 -1.026 19904 3485 1 6 . 1 1 11 11 VAL N N 11 128.355 128.355 125.621 2.734 19904 3486 1 6 . 1 1 11 11 VAL HA H 11 4.086 4.086 4.538 -0.452 19904 3487 1 6 . 1 1 11 11 VAL C C 11 173.155 173.155 174.382 -1.227 19904 3488 1 6 . 1 1 11 11 VAL CA C 11 61.124 61.124 60.838 0.286 19904 3489 1 6 . 1 1 11 11 VAL CB C 11 32.522 32.522 32.770 -0.249 19904 3490 1 6 . 1 1 11 11 VAL H H 11 9.422 9.422 8.330 1.092 19904 3491 1 6 . 1 1 12 12 LYS N N 12 123.610 123.610 128.863 -5.253 19904 3492 1 6 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.480 -0.265 19904 3493 1 6 . 1 1 12 12 LYS C C 12 170.645 170.645 175.979 -5.334 19904 3494 1 6 . 1 1 12 12 LYS CA C 12 56.259 56.259 57.209 -0.950 19904 3495 1 6 . 1 1 12 12 LYS CB C 12 34.702 34.702 33.446 1.256 19904 3496 1 6 . 1 1 12 12 LYS H H 12 9.071 9.071 8.546 0.525 19904 3497 1 6 . 1 1 13 13 HIS N N 13 110.414 110.414 114.183 -3.769 19904 3498 1 6 . 1 1 13 13 HIS HA H 13 4.396 4.396 4.691 -0.295 19904 3499 1 6 . 1 1 13 13 HIS C C 13 172.651 172.651 174.547 -1.896 19904 3500 1 6 . 1 1 13 13 HIS CA C 13 54.368 54.368 55.400 -1.032 19904 3501 1 6 . 1 1 13 13 HIS CB C 13 33.731 33.731 32.185 1.546 19904 3502 1 6 . 1 1 13 13 HIS H H 13 6.186 6.186 7.915 -1.729 19904 3503 1 6 . 1 1 14 14 LYS N N 14 115.373 115.373 121.325 -5.952 19904 3504 1 6 . 1 1 14 14 LYS HA H 14 4.074 4.074 4.119 -0.045 19904 3505 1 6 . 1 1 14 14 LYS C C 14 172.860 172.860 176.556 -3.696 19904 3506 1 6 . 1 1 14 14 LYS CA C 14 58.131 58.131 56.751 1.380 19904 3507 1 6 . 1 1 14 14 LYS CB C 14 32.074 32.074 31.724 0.350 19904 3508 1 6 . 1 1 14 14 LYS H H 14 9.074 9.074 8.198 0.876 19904 3509 1 6 . 1 1 15 15 ASP N N 15 119.786 119.786 118.180 1.606 19904 3510 1 6 . 1 1 15 15 ASP HA H 15 5.117 5.117 4.547 0.570 19904 3511 1 6 . 1 1 15 15 ASP C C 15 173.969 173.969 176.729 -2.760 19904 3512 1 6 . 1 1 15 15 ASP CA C 15 54.644 54.644 53.868 0.776 19904 3513 1 6 . 1 1 15 15 ASP CB C 15 41.772 41.772 41.399 0.373 19904 3514 1 6 . 1 1 15 15 ASP H H 15 8.951 8.951 7.127 1.824 19904 3515 1 6 . 1 1 16 16 VAL N N 16 113.297 113.297 117.774 -4.477 19904 3516 1 6 . 1 1 16 16 VAL HA H 16 4.353 4.353 4.064 0.289 19904 3517 1 6 . 1 1 16 16 VAL C C 16 172.635 172.635 176.349 -3.714 19904 3518 1 6 . 1 1 16 16 VAL CA C 16 60.510 60.510 61.594 -1.085 19904 3519 1 6 . 1 1 16 16 VAL CB C 16 31.450 31.450 32.257 -0.806 19904 3520 1 6 . 1 1 16 16 VAL H H 16 6.826 6.826 7.307 -0.481 19904 3521 1 6 . 1 1 17 17 ARG N N 17 119.898 119.898 120.116 -0.218 19904 3522 1 6 . 1 1 17 17 ARG HA H 17 3.990 3.990 4.162 -0.172 19904 3523 1 6 . 1 1 17 17 ARG C C 17 174.690 174.690 177.266 -2.576 19904 3524 1 6 . 1 1 17 17 ARG CA C 17 58.501 58.501 58.267 0.233 19904 3525 1 6 . 1 1 17 17 ARG CB C 17 29.664 29.664 30.445 -0.780 19904 3526 1 6 . 1 1 17 17 ARG H H 17 8.305 8.305 8.415 -0.110 19904 3527 1 6 . 1 1 18 18 ARG N N 18 116.580 116.580 117.475 -0.895 19904 3528 1 6 . 1 1 18 18 ARG HA H 18 4.643 4.643 4.758 -0.115 19904 3529 1 6 . 1 1 18 18 ARG C C 18 171.330 171.330 174.286 -2.956 19904 3530 1 6 . 1 1 18 18 ARG CA C 18 53.059 53.059 53.683 -0.624 19904 3531 1 6 . 1 1 18 18 ARG CB C 18 29.538 29.538 30.328 -0.790 19904 3532 1 6 . 1 1 18 18 ARG H H 18 8.304 8.304 8.248 0.056 19904 3533 1 6 . 1 1 19 19 PRO HA H 19 4.177 4.177 4.357 -0.180 19904 3534 1 6 . 1 1 19 19 PRO C C 19 171.575 171.575 176.894 -5.319 19904 3535 1 6 . 1 1 19 19 PRO CA C 19 62.693 62.693 63.625 -0.932 19904 3536 1 6 . 1 1 19 19 PRO CB C 19 27.756 27.756 32.236 -4.480 19904 3537 1 6 . 1 1 20 20 SER N N 20 119.112 119.112 114.444 4.668 19904 3538 1 6 . 1 1 20 20 SER HA H 20 5.172 5.172 4.538 0.634 19904 3539 1 6 . 1 1 20 20 SER C C 20 171.036 171.036 174.257 -3.221 19904 3540 1 6 . 1 1 20 20 SER CA C 20 56.630 56.630 57.783 -1.153 19904 3541 1 6 . 1 1 20 20 SER CB C 20 65.310 65.310 64.194 1.116 19904 3542 1 6 . 1 1 20 20 SER H H 20 8.587 8.587 8.126 0.461 19904 3543 1 6 . 1 1 21 21 SER N N 21 116.758 116.758 119.786 -3.028 19904 3544 1 6 . 1 1 21 21 SER HA H 21 4.448 4.448 4.795 -0.347 19904 3545 1 6 . 1 1 21 21 SER C C 21 173.204 173.204 173.057 0.147 19904 3546 1 6 . 1 1 21 21 SER CA C 21 57.984 57.984 57.778 0.206 19904 3547 1 6 . 1 1 21 21 SER CB C 21 63.579 63.579 63.453 0.126 19904 3548 1 6 . 1 1 21 21 SER H H 21 9.000 9.000 8.327 0.673 19904 3549 1 6 . 1 1 22 22 LEU N N 22 129.332 129.332 127.768 1.564 19904 3550 1 6 . 1 1 22 22 LEU HA H 22 4.560 4.560 4.521 0.039 19904 3551 1 6 . 1 1 22 22 LEU C C 22 172.591 172.591 175.466 -2.875 19904 3552 1 6 . 1 1 22 22 LEU CA C 22 53.332 53.332 52.568 0.764 19904 3553 1 6 . 1 1 22 22 LEU CB C 22 41.996 41.996 39.581 2.415 19904 3554 1 6 . 1 1 22 22 LEU H H 22 8.292 8.292 8.280 0.012 19904 3555 1 6 . 1 1 23 23 ALA N N 23 125.266 125.266 124.457 0.809 19904 3556 1 6 . 1 1 23 23 ALA HA H 23 4.174 4.174 4.699 -0.525 19904 3557 1 6 . 1 1 23 23 ALA C C 23 176.009 176.009 175.666 0.343 19904 3558 1 6 . 1 1 23 23 ALA CA C 23 50.357 50.357 49.705 0.652 19904 3559 1 6 . 1 1 23 23 ALA CB C 23 18.298 18.298 19.214 -0.916 19904 3560 1 6 . 1 1 23 23 ALA H H 23 7.521 7.521 7.361 0.160 19904 3561 1 6 . 1 1 24 24 PRO HA H 24 4.406 4.406 4.335 0.071 19904 3562 1 6 . 1 1 24 24 PRO C C 24 175.951 175.951 177.937 -1.986 19904 3563 1 6 . 1 1 24 24 PRO CA C 24 64.918 64.918 64.644 0.273 19904 3564 1 6 . 1 1 24 24 PRO CB C 24 31.480 31.480 31.749 -0.269 19904 3565 1 6 . 1 1 25 25 ARG N N 25 113.570 113.570 117.771 -4.201 19904 3566 1 6 . 1 1 25 25 ARG HA H 25 3.997 3.997 4.350 -0.353 19904 3567 1 6 . 1 1 25 25 ARG C C 25 173.076 173.076 175.712 -2.636 19904 3568 1 6 . 1 1 25 25 ARG CA C 25 57.993 57.993 56.678 1.315 19904 3569 1 6 . 1 1 25 25 ARG CB C 25 29.623 29.623 30.340 -0.717 19904 3570 1 6 . 1 1 25 25 ARG H H 25 7.997 7.997 8.384 -0.387 19904 3571 1 6 . 1 1 26 26 ASN N N 26 118.698 118.698 116.186 2.512 19904 3572 1 6 . 1 1 26 26 ASN HA H 26 4.684 4.684 4.711 -0.027 19904 3573 1 6 . 1 1 26 26 ASN C C 26 171.211 171.211 174.079 -2.868 19904 3574 1 6 . 1 1 26 26 ASN CA C 26 51.481 51.481 51.800 -0.319 19904 3575 1 6 . 1 1 26 26 ASN CB C 26 36.343 36.343 37.947 -1.604 19904 3576 1 6 . 1 1 26 26 ASN H H 26 7.314 7.314 8.024 -0.710 19904 3577 1 6 . 1 1 27 27 LYS N N 27 122.069 122.069 121.021 1.048 19904 3578 1 6 . 1 1 27 27 LYS HA H 27 3.545 3.545 4.177 -0.632 19904 3579 1 6 . 1 1 27 27 LYS C C 27 175.308 175.308 178.102 -2.794 19904 3580 1 6 . 1 1 27 27 LYS CA C 27 58.932 58.932 57.879 1.053 19904 3581 1 6 . 1 1 27 27 LYS CB C 27 32.223 32.223 32.529 -0.306 19904 3582 1 6 . 1 1 27 27 LYS H H 27 6.739 6.739 7.685 -0.946 19904 3583 1 6 . 1 1 28 28 GLY N N 28 115.186 115.186 112.018 3.168 19904 3584 1 6 . 1 1 28 28 GLY C C 28 172.044 172.044 174.036 -1.992 19904 3585 1 6 . 1 1 28 28 GLY CA C 28 44.167 44.167 44.914 -0.747 19904 3586 1 6 . 1 1 28 28 GLY H H 28 9.170 9.170 8.718 0.452 19904 3587 1 6 . 1 1 29 29 GLU N N 29 123.612 123.612 121.999 1.613 19904 3588 1 6 . 1 1 29 29 GLU HA H 29 3.988 3.988 4.343 -0.355 19904 3589 1 6 . 1 1 29 29 GLU C C 29 173.511 173.511 175.196 -1.685 19904 3590 1 6 . 1 1 29 29 GLU CA C 29 57.456 57.456 56.363 1.093 19904 3591 1 6 . 1 1 29 29 GLU CB C 29 29.848 29.848 30.735 -0.887 19904 3592 1 6 . 1 1 29 29 GLU H H 29 8.247 8.247 7.742 0.505 19904 3593 1 6 . 1 1 30 30 LYS N N 30 127.143 127.143 122.776 4.367 19904 3594 1 6 . 1 1 30 30 LYS HA H 30 4.136 4.136 4.701 -0.565 19904 3595 1 6 . 1 1 30 30 LYS C C 30 173.356 173.356 175.323 -1.967 19904 3596 1 6 . 1 1 30 30 LYS CA C 30 57.006 57.006 55.301 1.704 19904 3597 1 6 . 1 1 30 30 LYS CB C 30 32.352 32.352 36.022 -3.670 19904 3598 1 6 . 1 1 30 30 LYS H H 30 8.580 8.580 8.407 0.173 19904 3599 1 6 . 1 1 31 31 ILE N N 31 125.431 125.431 122.178 3.253 19904 3600 1 6 . 1 1 31 31 ILE HA H 31 4.126 4.126 4.361 -0.235 19904 3601 1 6 . 1 1 31 31 ILE C C 31 172.968 172.968 175.727 -2.759 19904 3602 1 6 . 1 1 31 31 ILE CA C 31 58.365 58.365 60.838 -2.473 19904 3603 1 6 . 1 1 31 31 ILE CB C 31 35.846 35.846 40.240 -4.394 19904 3604 1 6 . 1 1 31 31 ILE H H 31 8.136 8.136 8.231 -0.095 19904 3605 1 6 . 1 1 32 32 THR N N 32 116.000 116.000 116.337 -0.337 19904 3606 1 6 . 1 1 32 32 THR HA H 32 4.391 4.391 4.478 -0.087 19904 3607 1 6 . 1 1 32 32 THR C C 32 172.242 172.242 174.841 -2.599 19904 3608 1 6 . 1 1 32 32 THR CA C 32 60.626 60.626 61.423 -0.797 19904 3609 1 6 . 1 1 32 32 THR CB C 32 69.692 69.692 69.345 0.347 19904 3610 1 6 . 1 1 32 32 THR H H 32 8.501 8.501 8.207 0.294 19904 3611 1 6 . 1 1 33 33 ARG N N 33 122.696 122.696 121.648 1.048 19904 3612 1 6 . 1 1 33 33 ARG HA H 33 4.516 4.516 4.436 0.080 19904 3613 1 6 . 1 1 33 33 ARG C C 33 171.016 171.016 175.951 -4.935 19904 3614 1 6 . 1 1 33 33 ARG CA C 33 55.200 55.200 55.861 -0.661 19904 3615 1 6 . 1 1 33 33 ARG CB C 33 29.990 29.990 31.258 -1.268 19904 3616 1 6 . 1 1 33 33 ARG H H 33 7.156 7.156 7.865 -0.709 19904 3617 1 6 . 1 1 34 34 SER N N 34 117.773 117.773 113.866 3.907 19904 3618 1 6 . 1 1 34 34 SER HA H 34 4.536 4.536 5.015 -0.479 19904 3619 1 6 . 1 1 34 34 SER C C 34 172.654 172.654 176.159 -3.505 19904 3620 1 6 . 1 1 34 34 SER CA C 34 57.072 57.072 56.788 0.284 19904 3621 1 6 . 1 1 34 34 SER CB C 34 65.763 65.763 65.238 0.525 19904 3622 1 6 . 1 1 34 34 SER H H 34 9.144 9.144 8.509 0.635 19904 3623 1 6 . 1 1 35 35 ARG N N 35 122.568 122.568 120.525 2.043 19904 3624 1 6 . 1 1 35 35 ARG HA H 35 3.362 3.362 4.059 -0.697 19904 3625 1 6 . 1 1 35 35 ARG C C 35 174.904 174.904 177.683 -2.779 19904 3626 1 6 . 1 1 35 35 ARG CA C 35 60.234 60.234 59.174 1.060 19904 3627 1 6 . 1 1 35 35 ARG CB C 35 29.363 29.363 29.237 0.126 19904 3628 1 6 . 1 1 35 35 ARG H H 35 8.904 8.904 8.977 -0.073 19904 3629 1 6 . 1 1 36 36 ALA N N 36 120.049 120.049 120.278 -0.229 19904 3630 1 6 . 1 1 36 36 ALA HA H 36 3.861 3.861 4.092 -0.231 19904 3631 1 6 . 1 1 36 36 ALA C C 36 177.495 177.495 179.667 -2.172 19904 3632 1 6 . 1 1 36 36 ALA CA C 36 54.849 54.849 54.584 0.265 19904 3633 1 6 . 1 1 36 36 ALA CB C 36 17.598 17.598 17.730 -0.132 19904 3634 1 6 . 1 1 36 36 ALA H H 36 8.120 8.120 8.493 -0.373 19904 3635 1 6 . 1 1 37 37 ASP N N 37 118.222 118.222 118.857 -0.635 19904 3636 1 6 . 1 1 37 37 ASP HA H 37 4.313 4.313 4.483 -0.170 19904 3637 1 6 . 1 1 37 37 ASP C C 37 176.547 176.547 177.997 -1.450 19904 3638 1 6 . 1 1 37 37 ASP CA C 37 56.653 56.653 56.810 -0.157 19904 3639 1 6 . 1 1 37 37 ASP CB C 37 40.656 40.656 41.329 -0.673 19904 3640 1 6 . 1 1 37 37 ASP H H 37 7.877 7.877 7.924 -0.047 19904 3641 1 6 . 1 1 38 38 ALA N N 38 124.726 124.726 123.261 1.465 19904 3642 1 6 . 1 1 38 38 ALA HA H 38 3.928 3.928 4.003 -0.075 19904 3643 1 6 . 1 1 38 38 ALA C C 38 175.791 175.791 179.592 -3.801 19904 3644 1 6 . 1 1 38 38 ALA CA C 38 55.163 55.163 55.181 -0.018 19904 3645 1 6 . 1 1 38 38 ALA CB C 38 18.040 18.040 18.422 -0.383 19904 3646 1 6 . 1 1 38 38 ALA H H 38 8.269 8.269 7.389 0.880 19904 3647 1 6 . 1 1 39 39 ILE N N 39 119.010 119.010 117.468 1.542 19904 3648 1 6 . 1 1 39 39 ILE HA H 39 3.476 3.476 3.527 -0.051 19904 3649 1 6 . 1 1 39 39 ILE C C 39 175.129 175.129 178.047 -2.918 19904 3650 1 6 . 1 1 39 39 ILE CA C 39 65.121 65.121 66.019 -0.898 19904 3651 1 6 . 1 1 39 39 ILE CB C 39 37.411 37.411 37.744 -0.333 19904 3652 1 6 . 1 1 39 39 ILE H H 39 7.974 7.974 8.099 -0.125 19904 3653 1 6 . 1 1 40 40 ASN N N 40 117.393 117.393 117.639 -0.246 19904 3654 1 6 . 1 1 40 40 ASN HA H 40 4.332 4.332 4.490 -0.158 19904 3655 1 6 . 1 1 40 40 ASN C C 40 175.608 175.608 177.642 -2.034 19904 3656 1 6 . 1 1 40 40 ASN CA C 40 55.865 55.865 55.742 0.123 19904 3657 1 6 . 1 1 40 40 ASN CB C 40 37.589 37.589 38.584 -0.994 19904 3658 1 6 . 1 1 40 40 ASN H H 40 8.122 8.122 7.540 0.582 19904 3659 1 6 . 1 1 41 41 LEU N N 41 123.846 123.846 122.507 1.339 19904 3660 1 6 . 1 1 41 41 LEU HA H 41 4.127 4.127 3.676 0.451 19904 3661 1 6 . 1 1 41 41 LEU C C 41 175.147 175.147 177.486 -2.339 19904 3662 1 6 . 1 1 41 41 LEU CA C 41 57.816 57.816 57.972 -0.156 19904 3663 1 6 . 1 1 41 41 LEU CB C 41 41.589 41.589 41.269 0.320 19904 3664 1 6 . 1 1 41 41 LEU H H 41 8.220 8.220 7.835 0.385 19904 3665 1 6 . 1 1 42 42 ALA N N 42 120.677 120.677 119.554 1.123 19904 3666 1 6 . 1 1 42 42 ALA HA H 42 3.763 3.763 3.705 0.058 19904 3667 1 6 . 1 1 42 42 ALA C C 42 176.512 176.512 179.735 -3.223 19904 3668 1 6 . 1 1 42 42 ALA CA C 42 55.411 55.411 55.278 0.133 19904 3669 1 6 . 1 1 42 42 ALA CB C 42 17.619 17.619 18.133 -0.514 19904 3670 1 6 . 1 1 42 42 ALA H H 42 7.959 7.959 7.535 0.424 19904 3671 1 6 . 1 1 43 43 GLN N N 43 114.196 114.196 117.058 -2.862 19904 3672 1 6 . 1 1 43 43 GLN HA H 43 3.963 3.963 4.024 -0.061 19904 3673 1 6 . 1 1 43 43 GLN C C 43 176.189 176.189 178.473 -2.284 19904 3674 1 6 . 1 1 43 43 GLN CA C 43 58.629 58.629 58.419 0.210 19904 3675 1 6 . 1 1 43 43 GLN CB C 43 27.777 27.777 28.654 -0.877 19904 3676 1 6 . 1 1 43 43 GLN H H 43 8.275 8.275 7.616 0.659 19904 3677 1 6 . 1 1 44 44 ALA N N 44 124.632 124.632 122.481 2.151 19904 3678 1 6 . 1 1 44 44 ALA HA H 44 4.092 4.092 4.020 0.072 19904 3679 1 6 . 1 1 44 44 ALA C C 44 178.108 178.108 179.251 -1.143 19904 3680 1 6 . 1 1 44 44 ALA CA C 44 54.752 54.752 54.672 0.080 19904 3681 1 6 . 1 1 44 44 ALA CB C 44 17.241 17.241 18.478 -1.237 19904 3682 1 6 . 1 1 44 44 ALA H H 44 8.134 8.134 7.817 0.317 19904 3683 1 6 . 1 1 45 45 ILE N N 45 120.659 120.659 118.309 2.350 19904 3684 1 6 . 1 1 45 45 ILE HA H 45 3.323 3.323 3.721 -0.398 19904 3685 1 6 . 1 1 45 45 ILE C C 45 176.240 176.240 178.442 -2.202 19904 3686 1 6 . 1 1 45 45 ILE CA C 45 65.254 65.254 65.142 0.112 19904 3687 1 6 . 1 1 45 45 ILE CB C 45 37.531 37.531 38.007 -0.476 19904 3688 1 6 . 1 1 45 45 ILE H H 45 7.970 7.970 8.069 -0.099 19904 3689 1 6 . 1 1 46 46 LEU N N 46 117.950 117.950 117.574 0.376 19904 3690 1 6 . 1 1 46 46 LEU HA H 46 4.223 4.223 4.356 -0.133 19904 3691 1 6 . 1 1 46 46 LEU C C 46 177.868 177.868 177.704 0.164 19904 3692 1 6 . 1 1 46 46 LEU CA C 46 57.585 57.585 57.868 -0.283 19904 3693 1 6 . 1 1 46 46 LEU CB C 46 41.627 41.627 41.098 0.529 19904 3694 1 6 . 1 1 46 46 LEU H H 46 7.360 7.360 7.561 -0.201 19904 3695 1 6 . 1 1 47 47 ALA N N 47 120.942 120.942 119.287 1.655 19904 3696 1 6 . 1 1 47 47 ALA HA H 47 4.072 4.072 4.314 -0.242 19904 3697 1 6 . 1 1 47 47 ALA C C 47 176.501 176.501 179.340 -2.839 19904 3698 1 6 . 1 1 47 47 ALA CA C 47 53.869 53.869 53.090 0.779 19904 3699 1 6 . 1 1 47 47 ALA CB C 47 17.600 17.600 18.050 -0.451 19904 3700 1 6 . 1 1 47 47 ALA H H 47 8.135 8.135 7.221 0.914 19904 3701 1 6 . 1 1 48 48 GLN N N 48 116.773 116.773 118.291 -1.518 19904 3702 1 6 . 1 1 48 48 GLN HA H 48 3.947 3.947 4.160 -0.213 19904 3703 1 6 . 1 1 48 48 GLN C C 48 173.703 173.703 176.873 -3.170 19904 3704 1 6 . 1 1 48 48 GLN CA C 48 57.455 57.455 57.677 -0.222 19904 3705 1 6 . 1 1 48 48 GLN CB C 48 27.999 27.999 28.661 -0.662 19904 3706 1 6 . 1 1 48 48 GLN H H 48 7.615 7.615 8.145 -0.530 19904 3707 1 6 . 1 1 49 49 HIS N N 49 116.736 116.736 115.914 0.822 19904 3708 1 6 . 1 1 49 49 HIS HA H 49 4.686 4.686 4.511 0.175 19904 3709 1 6 . 1 1 49 49 HIS C C 49 172.191 172.191 174.069 -1.878 19904 3710 1 6 . 1 1 49 49 HIS CA C 49 53.597 53.597 52.247 1.350 19904 3711 1 6 . 1 1 49 49 HIS CB C 49 28.298 28.298 27.184 1.114 19904 3712 1 6 . 1 1 49 49 HIS H H 49 7.373 7.373 7.587 -0.214 19904 3713 1 6 . 1 1 50 50 LYS N N 50 119.417 119.417 122.613 -3.196 19904 3714 1 6 . 1 1 50 50 LYS HA H 50 4.048 4.048 4.089 -0.041 19904 3715 1 6 . 1 1 50 50 LYS C C 50 174.041 174.041 176.836 -2.795 19904 3716 1 6 . 1 1 50 50 LYS CA C 50 58.207 58.207 56.888 1.319 19904 3717 1 6 . 1 1 50 50 LYS CB C 50 31.869 31.869 31.146 0.723 19904 3718 1 6 . 1 1 50 50 LYS H H 50 7.494 7.494 7.652 -0.158 19904 3719 1 6 . 1 1 51 51 GLU N N 51 117.754 117.754 119.045 -1.291 19904 3720 1 6 . 1 1 51 51 GLU HA H 51 4.097 4.097 3.910 0.187 19904 3721 1 6 . 1 1 51 51 GLU C C 51 173.337 173.337 175.406 -2.069 19904 3722 1 6 . 1 1 51 51 GLU CA C 51 57.273 57.273 57.299 -0.026 19904 3723 1 6 . 1 1 51 51 GLU CB C 51 28.391 28.391 27.718 0.673 19904 3724 1 6 . 1 1 51 51 GLU H H 51 8.916 8.916 8.482 0.434 19904 3725 1 6 . 1 1 52 52 ARG N N 52 118.808 118.808 116.465 2.343 19904 3726 1 6 . 1 1 52 52 ARG HA H 52 4.511 4.511 4.444 0.067 19904 3727 1 6 . 1 1 52 52 ARG C C 52 172.824 172.824 173.549 -0.725 19904 3728 1 6 . 1 1 52 52 ARG CA C 52 55.657 55.657 54.925 0.732 19904 3729 1 6 . 1 1 52 52 ARG CB C 52 31.484 31.484 31.485 -0.001 19904 3730 1 6 . 1 1 52 52 ARG H H 52 7.708 7.708 7.518 0.190 19904 3731 1 6 . 1 1 53 53 LYS N N 53 121.953 121.953 121.617 0.336 19904 3732 1 6 . 1 1 53 53 LYS HA H 53 4.502 4.502 4.739 -0.237 19904 3733 1 6 . 1 1 53 53 LYS C C 53 173.892 173.892 174.560 -0.668 19904 3734 1 6 . 1 1 53 53 LYS CA C 53 56.580 56.580 57.083 -0.503 19904 3735 1 6 . 1 1 53 53 LYS CB C 53 32.659 32.659 32.837 -0.178 19904 3736 1 6 . 1 1 53 53 LYS H H 53 8.698 8.698 8.338 0.360 19904 3737 1 6 . 1 1 54 54 THR N N 54 109.590 109.590 114.382 -4.792 19904 3738 1 6 . 1 1 54 54 THR HA H 54 4.925 4.925 5.189 -0.264 19904 3739 1 6 . 1 1 54 54 THR C C 54 171.619 171.619 173.230 -1.611 19904 3740 1 6 . 1 1 54 54 THR CA C 54 59.929 59.929 62.001 -2.071 19904 3741 1 6 . 1 1 54 54 THR CB C 54 70.010 70.010 71.482 -1.472 19904 3742 1 6 . 1 1 54 54 THR H H 54 7.485 7.485 7.735 -0.250 19904 3743 1 6 . 1 1 55 55 TRP N N 55 125.280 125.280 127.299 -2.019 19904 3744 1 6 . 1 1 55 55 TRP HA H 55 4.994 4.994 5.147 -0.153 19904 3745 1 6 . 1 1 55 55 TRP C C 55 174.476 174.476 176.116 -1.640 19904 3746 1 6 . 1 1 55 55 TRP CA C 55 55.069 55.069 56.336 -1.267 19904 3747 1 6 . 1 1 55 55 TRP CB C 55 31.112 31.112 31.505 -0.393 19904 3748 1 6 . 1 1 55 55 TRP H H 55 9.334 9.334 8.175 1.159 19904 3749 1 6 . 1 1 56 56 SER N N 56 122.007 122.007 116.962 5.045 19904 3750 1 6 . 1 1 56 56 SER HA H 56 4.681 4.681 4.864 -0.183 19904 3751 1 6 . 1 1 56 56 SER C C 56 172.033 172.033 175.669 -3.636 19904 3752 1 6 . 1 1 56 56 SER CA C 56 56.530 56.530 57.569 -1.039 19904 3753 1 6 . 1 1 56 56 SER CB C 56 65.129 65.129 64.960 0.169 19904 3754 1 6 . 1 1 56 56 SER H H 56 9.350 9.350 8.706 0.644 19904 3755 1 6 . 1 1 57 57 LEU N N 57 123.899 123.899 123.540 0.359 19904 3756 1 6 . 1 1 57 57 LEU HA H 57 3.895 3.895 5.004 -1.109 19904 3757 1 6 . 1 1 57 57 LEU C C 57 175.734 175.734 178.800 -3.066 19904 3758 1 6 . 1 1 57 57 LEU CA C 57 58.307 58.307 57.771 0.536 19904 3759 1 6 . 1 1 57 57 LEU CB C 57 40.951 40.951 41.787 -0.836 19904 3760 1 6 . 1 1 57 57 LEU H H 57 8.828 8.828 8.820 0.008 19904 3761 1 6 . 1 1 58 58 ASP N N 58 115.249 115.249 117.564 -2.315 19904 3762 1 6 . 1 1 58 58 ASP HA H 58 4.183 4.183 4.638 -0.455 19904 3763 1 6 . 1 1 58 58 ASP C C 58 176.605 176.605 177.439 -0.834 19904 3764 1 6 . 1 1 58 58 ASP CA C 58 57.043 57.043 56.370 0.673 19904 3765 1 6 . 1 1 58 58 ASP CB C 58 40.308 40.308 40.807 -0.499 19904 3766 1 6 . 1 1 58 58 ASP H H 58 8.229 8.229 8.551 -0.322 19904 3767 1 6 . 1 1 59 59 GLU N N 59 118.743 118.743 119.925 -1.182 19904 3768 1 6 . 1 1 59 59 GLU HA H 59 3.912 3.912 4.300 -0.388 19904 3769 1 6 . 1 1 59 59 GLU C C 59 176.819 176.819 178.218 -1.399 19904 3770 1 6 . 1 1 59 59 GLU CA C 59 58.459 58.459 58.713 -0.254 19904 3771 1 6 . 1 1 59 59 GLU CB C 59 30.086 30.086 30.241 -0.155 19904 3772 1 6 . 1 1 59 59 GLU H H 59 7.589 7.589 7.894 -0.305 19904 3773 1 6 . 1 1 60 60 PHE N N 60 121.809 121.809 119.925 1.884 19904 3774 1 6 . 1 1 60 60 PHE HA H 60 4.147 4.147 4.028 0.119 19904 3775 1 6 . 1 1 60 60 PHE C C 60 174.448 174.448 177.777 -3.329 19904 3776 1 6 . 1 1 60 60 PHE CA C 60 62.439 62.439 61.756 0.683 19904 3777 1 6 . 1 1 60 60 PHE CB C 60 38.980 38.980 39.132 -0.152 19904 3778 1 6 . 1 1 60 60 PHE H H 60 8.055 8.055 7.780 0.275 19904 3779 1 6 . 1 1 61 61 VAL N N 61 118.759 118.759 115.390 3.369 19904 3780 1 6 . 1 1 61 61 VAL HA H 61 3.465 3.465 3.591 -0.126 19904 3781 1 6 . 1 1 61 61 VAL C C 61 175.119 175.119 177.872 -2.753 19904 3782 1 6 . 1 1 61 61 VAL CA C 61 66.454 66.454 65.973 0.481 19904 3783 1 6 . 1 1 61 61 VAL CB C 61 31.345 31.345 31.456 -0.111 19904 3784 1 6 . 1 1 61 61 VAL H H 61 9.098 9.098 7.705 1.393 19904 3785 1 6 . 1 1 62 62 GLN N N 62 117.732 117.732 117.193 0.539 19904 3786 1 6 . 1 1 62 62 GLN HA H 62 3.762 3.762 4.149 -0.387 19904 3787 1 6 . 1 1 62 62 GLN C C 62 172.363 172.363 177.789 -5.426 19904 3788 1 6 . 1 1 62 62 GLN CA C 62 59.025 59.025 58.084 0.941 19904 3789 1 6 . 1 1 62 62 GLN CB C 62 27.967 27.967 28.505 -0.538 19904 3790 1 6 . 1 1 62 62 GLN H H 62 7.462 7.462 7.968 -0.506 19904 3791 1 6 . 1 1 63 63 VAL N N 63 113.433 113.433 117.615 -4.182 19904 3792 1 6 . 1 1 63 63 VAL HA H 63 4.147 4.147 3.723 0.424 19904 3793 1 6 . 1 1 63 63 VAL C C 63 176.157 176.157 177.450 -1.293 19904 3794 1 6 . 1 1 63 63 VAL CA C 63 64.982 64.982 63.675 1.307 19904 3795 1 6 . 1 1 63 63 VAL CB C 63 30.895 30.895 31.258 -0.363 19904 3796 1 6 . 1 1 63 63 VAL H H 63 6.895 6.895 7.587 -0.692 19904 3797 1 6 . 1 1 64 64 VAL N N 64 122.958 122.958 120.604 2.354 19904 3798 1 6 . 1 1 64 64 VAL HA H 64 3.307 3.307 3.643 -0.336 19904 3799 1 6 . 1 1 64 64 VAL C C 64 176.891 176.891 178.177 -1.286 19904 3800 1 6 . 1 1 64 64 VAL CA C 64 66.872 66.872 65.855 1.017 19904 3801 1 6 . 1 1 64 64 VAL CB C 64 31.240 31.240 31.009 0.231 19904 3802 1 6 . 1 1 64 64 VAL H H 64 7.908 7.908 8.094 -0.186 19904 3803 1 6 . 1 1 65 65 ARG N N 65 118.898 118.898 117.789 1.109 19904 3804 1 6 . 1 1 65 65 ARG HA H 65 3.754 3.754 4.094 -0.340 19904 3805 1 6 . 1 1 65 65 ARG C C 65 175.082 175.082 176.255 -1.173 19904 3806 1 6 . 1 1 65 65 ARG CA C 65 59.710 59.710 58.046 1.664 19904 3807 1 6 . 1 1 65 65 ARG CB C 65 29.819 29.819 29.697 0.122 19904 3808 1 6 . 1 1 65 65 ARG H H 65 8.459 8.459 7.320 1.139 19904 3809 1 6 . 1 1 66 66 ASP N N 66 115.125 115.125 117.598 -2.473 19904 3810 1 6 . 1 1 66 66 ASP HA H 66 4.326 4.326 4.328 -0.002 19904 3811 1 6 . 1 1 66 66 ASP C C 66 174.721 174.721 175.252 -0.531 19904 3812 1 6 . 1 1 66 66 ASP CA C 66 55.771 55.771 54.448 1.323 19904 3813 1 6 . 1 1 66 66 ASP CB C 66 41.983 41.983 40.770 1.212 19904 3814 1 6 . 1 1 66 66 ASP H H 66 7.446 7.446 8.025 -0.579 19904 3815 1 6 . 1 1 67 67 PHE N N 67 111.221 111.221 115.988 -4.767 19904 3816 1 6 . 1 1 67 67 PHE HA H 67 4.691 4.691 4.556 0.135 19904 3817 1 6 . 1 1 67 67 PHE C C 67 174.114 174.114 175.680 -1.566 19904 3818 1 6 . 1 1 67 67 PHE CA C 67 58.940 58.940 57.583 1.357 19904 3819 1 6 . 1 1 67 67 PHE CB C 67 42.781 42.781 40.688 2.093 19904 3820 1 6 . 1 1 67 67 PHE H H 67 8.044 8.044 7.054 0.990 19904 3821 1 6 . 1 1 68 68 SER N N 68 110.726 110.726 118.091 -7.365 19904 3822 1 6 . 1 1 68 68 SER HA H 68 4.313 4.313 4.313 -0.000 19904 3823 1 6 . 1 1 68 68 SER C C 68 174.559 174.559 174.360 0.199 19904 3824 1 6 . 1 1 68 68 SER CA C 68 58.905 58.905 59.503 -0.598 19904 3825 1 6 . 1 1 68 68 SER CB C 68 65.317 65.317 63.465 1.852 19904 3826 1 6 . 1 1 68 68 SER H H 68 8.462 8.462 7.873 0.589 19904 3827 1 6 . 1 1 69 69 GLU N N 69 126.213 126.213 128.791 -2.578 19904 3828 1 6 . 1 1 69 69 GLU HA H 69 4.650 4.650 4.661 -0.011 19904 3829 1 6 . 1 1 69 69 GLU C C 69 172.201 172.201 174.415 -2.214 19904 3830 1 6 . 1 1 69 69 GLU CA C 69 55.493 55.493 55.045 0.448 19904 3831 1 6 . 1 1 69 69 GLU CB C 69 29.575 29.575 30.948 -1.373 19904 3832 1 6 . 1 1 69 69 GLU H H 69 9.298 9.298 8.225 1.073 19904 3833 1 6 . 1 1 70 70 CYS N N 70 124.210 124.210 119.951 4.259 19904 3834 1 6 . 1 1 70 70 CYS HA H 70 4.310 4.310 4.785 -0.475 19904 3835 1 6 . 1 1 70 70 CYS C C 70 173.632 173.632 176.516 -2.884 19904 3836 1 6 . 1 1 70 70 CYS CA C 70 58.718 58.718 56.968 1.750 19904 3837 1 6 . 1 1 70 70 CYS CB C 70 30.055 30.055 30.989 -0.934 19904 3838 1 6 . 1 1 70 70 CYS H H 70 7.610 7.610 8.569 -0.959 19904 3839 1 6 . 1 1 71 71 GLY N N 71 118.767 118.767 110.074 8.693 19904 3840 1 6 . 1 1 71 71 GLY C C 71 174.447 174.447 175.567 -1.120 19904 3841 1 6 . 1 1 71 71 GLY CA C 71 47.313 47.313 47.498 -0.185 19904 3842 1 6 . 1 1 71 71 GLY H H 71 8.712 8.712 8.813 -0.101 19904 3843 1 6 . 1 1 72 72 SER N N 72 123.624 123.624 117.807 5.817 19904 3844 1 6 . 1 1 72 72 SER HA H 72 4.146 4.146 4.310 -0.164 19904 3845 1 6 . 1 1 72 72 SER C C 72 175.737 175.737 175.984 -0.247 19904 3846 1 6 . 1 1 72 72 SER CA C 72 61.353 61.353 59.533 1.820 19904 3847 1 6 . 1 1 72 72 SER CB C 72 62.668 62.668 62.587 0.081 19904 3848 1 6 . 1 1 72 72 SER H H 72 10.436 10.436 8.348 2.088 19904 3849 1 6 . 1 1 73 73 ALA N N 73 128.994 128.994 125.538 3.456 19904 3850 1 6 . 1 1 73 73 ALA HA H 73 3.991 3.991 3.962 0.029 19904 3851 1 6 . 1 1 73 73 ALA C C 73 176.885 176.885 178.889 -2.004 19904 3852 1 6 . 1 1 73 73 ALA CA C 73 55.115 55.115 55.161 -0.046 19904 3853 1 6 . 1 1 73 73 ALA CB C 73 18.363 18.363 18.168 0.195 19904 3854 1 6 . 1 1 73 73 ALA H H 73 8.480 8.480 8.578 -0.098 19904 3855 1 6 . 1 1 74 74 LYS N N 74 119.815 119.815 117.542 2.273 19904 3856 1 6 . 1 1 74 74 LYS HA H 74 4.146 4.146 4.109 0.037 19904 3857 1 6 . 1 1 74 74 LYS C C 74 173.942 173.942 177.894 -3.952 19904 3858 1 6 . 1 1 74 74 LYS CA C 74 58.981 58.981 58.066 0.915 19904 3859 1 6 . 1 1 74 74 LYS CB C 74 32.424 32.424 32.561 -0.137 19904 3860 1 6 . 1 1 74 74 LYS H H 74 8.043 8.043 7.472 0.571 19904 3861 1 6 . 1 1 75 75 ARG N N 75 118.332 118.332 116.807 1.525 19904 3862 1 6 . 1 1 75 75 ARG HA H 75 4.742 4.742 4.603 0.139 19904 3863 1 6 . 1 1 75 75 ARG C C 75 173.269 173.269 175.324 -2.055 19904 3864 1 6 . 1 1 75 75 ARG CA C 75 54.048 54.048 55.230 -1.182 19904 3865 1 6 . 1 1 75 75 ARG CB C 75 28.796 28.796 30.176 -1.380 19904 3866 1 6 . 1 1 75 75 ARG H H 75 7.536 7.536 7.879 -0.343 19904 3867 1 6 . 1 1 76 76 ASP N N 76 115.890 115.890 117.965 -2.075 19904 3868 1 6 . 1 1 76 76 ASP HA H 76 4.310 4.310 4.301 0.009 19904 3869 1 6 . 1 1 76 76 ASP C C 76 169.530 169.530 175.863 -6.333 19904 3870 1 6 . 1 1 76 76 ASP CA C 76 56.876 56.876 55.478 1.397 19904 3871 1 6 . 1 1 76 76 ASP CB C 76 39.268 39.268 38.183 1.085 19904 3872 1 6 . 1 1 76 76 ASP H H 76 7.601 7.601 8.562 -0.961 19904 3873 1 6 . 1 1 77 77 GLY N N 77 100.656 100.656 105.504 -4.848 19904 3874 1 6 . 1 1 77 77 GLY C C 77 170.735 170.735 173.142 -2.407 19904 3875 1 6 . 1 1 77 77 GLY CA C 77 56.712 56.712 46.077 10.635 19904 3876 1 6 . 1 1 77 77 GLY H H 77 8.218 8.218 8.087 0.131 19904 3877 1 6 . 1 1 78 78 ASP N N 78 118.744 118.744 118.289 0.455 19904 3878 1 6 . 1 1 78 78 ASP HA H 78 3.085 3.085 4.938 -1.853 19904 3879 1 6 . 1 1 78 78 ASP C C 78 173.696 173.696 175.188 -1.492 19904 3880 1 6 . 1 1 78 78 ASP CA C 78 54.461 54.461 52.798 1.663 19904 3881 1 6 . 1 1 78 78 ASP CB C 78 41.330 41.330 42.603 -1.273 19904 3882 1 6 . 1 1 78 78 ASP H H 78 6.679 6.679 7.619 -0.940 19904 3883 1 6 . 1 1 79 79 LEU N N 79 127.557 127.557 123.544 4.013 19904 3884 1 6 . 1 1 79 79 LEU HA H 79 4.333 4.333 4.893 -0.560 19904 3885 1 6 . 1 1 79 79 LEU C C 79 175.311 175.311 177.362 -2.051 19904 3886 1 6 . 1 1 79 79 LEU CA C 79 54.093 54.093 53.776 0.317 19904 3887 1 6 . 1 1 79 79 LEU CB C 79 41.896 41.896 42.256 -0.360 19904 3888 1 6 . 1 1 79 79 LEU H H 79 8.837 8.837 8.159 0.678 19904 3889 1 6 . 1 1 80 80 GLY N N 80 109.745 109.745 110.596 -0.851 19904 3890 1 6 . 1 1 80 80 GLY C C 80 169.506 169.506 174.047 -4.541 19904 3891 1 6 . 1 1 80 80 GLY CA C 80 44.467 44.467 43.990 0.477 19904 3892 1 6 . 1 1 80 80 GLY H H 80 8.744 8.744 8.376 0.368 19904 3893 1 6 . 1 1 81 81 MET N N 81 118.177 118.177 118.571 -0.394 19904 3894 1 6 . 1 1 81 81 MET HA H 81 4.560 4.560 4.337 0.223 19904 3895 1 6 . 1 1 81 81 MET C C 81 173.929 173.929 176.271 -2.342 19904 3896 1 6 . 1 1 81 81 MET CA C 81 53.095 53.095 56.455 -3.360 19904 3897 1 6 . 1 1 81 81 MET CB C 81 29.720 29.720 31.636 -1.916 19904 3898 1 6 . 1 1 81 81 MET H H 81 7.894 7.894 8.105 -0.211 19904 3899 1 6 . 1 1 82 82 VAL N N 82 129.209 129.209 119.042 10.167 19904 3900 1 6 . 1 1 82 82 VAL HA H 82 4.257 4.257 4.633 -0.376 19904 3901 1 6 . 1 1 82 82 VAL C C 82 172.520 172.520 175.132 -2.612 19904 3902 1 6 . 1 1 82 82 VAL CA C 82 61.786 61.786 60.452 1.334 19904 3903 1 6 . 1 1 82 82 VAL CB C 82 33.979 33.979 33.791 0.188 19904 3904 1 6 . 1 1 82 82 VAL H H 82 9.085 9.085 8.863 0.222 19904 3905 1 6 . 1 1 83 83 GLU N N 83 125.940 125.940 124.559 1.381 19904 3906 1 6 . 1 1 83 83 GLU HA H 83 4.949 4.949 4.732 0.217 19904 3907 1 6 . 1 1 83 83 GLU C C 83 175.328 175.328 175.791 -0.463 19904 3908 1 6 . 1 1 83 83 GLU CA C 83 54.236 54.236 54.517 -0.280 19904 3909 1 6 . 1 1 83 83 GLU CB C 83 31.344 31.344 32.842 -1.498 19904 3910 1 6 . 1 1 83 83 GLU H H 83 8.608 8.608 8.823 -0.215 19904 3911 1 6 . 1 1 84 84 SER N N 84 121.587 121.587 120.152 1.435 19904 3912 1 6 . 1 1 84 84 SER HA H 84 4.009 4.009 3.464 0.545 19904 3913 1 6 . 1 1 84 84 SER C C 84 172.341 172.341 175.292 -2.951 19904 3914 1 6 . 1 1 84 84 SER CA C 84 59.451 59.451 59.862 -0.411 19904 3915 1 6 . 1 1 84 84 SER CB C 84 62.340 62.340 62.635 -0.295 19904 3916 1 6 . 1 1 84 84 SER H H 84 8.737 8.737 8.147 0.590 19904 3917 1 6 . 1 1 85 85 GLY N N 85 114.678 114.678 116.114 -1.436 19904 3918 1 6 . 1 1 85 85 GLY C C 85 172.501 172.501 174.885 -2.384 19904 3919 1 6 . 1 1 85 85 GLY CA C 85 45.190 45.190 45.224 -0.034 19904 3920 1 6 . 1 1 85 85 GLY H H 85 10.247 10.247 8.875 1.372 19904 3921 1 6 . 1 1 86 86 THR N N 86 117.468 117.468 114.475 2.993 19904 3922 1 6 . 1 1 86 86 THR HA H 86 4.026 4.026 4.098 -0.072 19904 3923 1 6 . 1 1 86 86 THR C C 86 172.415 172.415 175.700 -3.285 19904 3924 1 6 . 1 1 86 86 THR CA C 86 64.666 64.666 63.594 1.072 19904 3925 1 6 . 1 1 86 86 THR CB C 86 69.421 69.421 69.690 -0.269 19904 3926 1 6 . 1 1 86 86 THR H H 86 8.398 8.398 7.992 0.406 19904 3927 1 6 . 1 1 87 87 TYR N N 87 123.120 123.120 121.943 1.177 19904 3928 1 6 . 1 1 87 87 TYR HA H 87 4.355 4.355 4.200 0.155 19904 3929 1 6 . 1 1 87 87 TYR C C 87 172.035 172.035 175.759 -3.724 19904 3930 1 6 . 1 1 87 87 TYR CA C 87 57.361 57.361 58.838 -1.477 19904 3931 1 6 . 1 1 87 87 TYR CB C 87 38.651 38.651 38.744 -0.093 19904 3932 1 6 . 1 1 87 87 TYR H H 87 8.869 8.869 8.072 0.797 19904 3933 1 6 . 1 1 88 88 THR N N 88 109.212 109.212 111.384 -2.172 19904 3934 1 6 . 1 1 88 88 THR HA H 88 4.304 4.304 4.394 -0.090 19904 3935 1 6 . 1 1 88 88 THR C C 88 172.134 172.134 174.768 -2.634 19904 3936 1 6 . 1 1 88 88 THR CA C 88 61.468 61.468 61.077 0.391 19904 3937 1 6 . 1 1 88 88 THR CB C 88 70.553 70.553 70.045 0.508 19904 3938 1 6 . 1 1 88 88 THR H H 88 7.339 7.339 7.990 -0.651 19904 3939 1 6 . 1 1 89 89 GLU N N 89 122.460 122.460 122.998 -0.538 19904 3940 1 6 . 1 1 89 89 GLU HA H 89 4.058 4.058 3.824 0.234 19904 3941 1 6 . 1 1 89 89 GLU C C 89 175.844 175.844 177.692 -1.848 19904 3942 1 6 . 1 1 89 89 GLU CA C 89 59.853 59.853 58.799 1.054 19904 3943 1 6 . 1 1 89 89 GLU CB C 89 29.322 29.322 29.632 -0.310 19904 3944 1 6 . 1 1 89 89 GLU H H 89 8.819 8.819 8.540 0.279 19904 3945 1 6 . 1 1 90 90 GLY N N 90 107.861 107.861 113.107 -5.246 19904 3946 1 6 . 1 1 90 90 GLY C C 90 172.835 172.835 174.472 -1.637 19904 3947 1 6 . 1 1 90 90 GLY CA C 90 46.411 46.411 45.437 0.974 19904 3948 1 6 . 1 1 90 90 GLY H H 90 8.734 8.734 9.072 -0.338 19904 3949 1 6 . 1 1 91 91 PHE N N 91 120.792 120.792 121.916 -1.124 19904 3950 1 6 . 1 1 91 91 PHE HA H 91 3.691 3.691 4.458 -0.767 19904 3951 1 6 . 1 1 91 91 PHE C C 91 173.756 173.756 175.640 -1.884 19904 3952 1 6 . 1 1 91 91 PHE CA C 91 60.625 60.625 60.600 0.025 19904 3953 1 6 . 1 1 91 91 PHE CB C 91 39.869 39.869 40.321 -0.452 19904 3954 1 6 . 1 1 91 91 PHE H H 91 7.392 7.392 7.741 -0.349 19904 3955 1 6 . 1 1 92 92 ASP N N 92 119.990 119.990 118.126 1.864 19904 3956 1 6 . 1 1 92 92 ASP HA H 92 4.473 4.473 4.751 -0.278 19904 3957 1 6 . 1 1 92 92 ASP C C 92 176.108 176.108 178.736 -2.628 19904 3958 1 6 . 1 1 92 92 ASP CA C 92 57.792 57.792 57.543 0.249 19904 3959 1 6 . 1 1 92 92 ASP CB C 92 40.222 40.222 40.673 -0.451 19904 3960 1 6 . 1 1 92 92 ASP H H 92 8.339 8.339 8.088 0.251 19904 3961 1 6 . 1 1 93 93 THR N N 93 114.592 114.592 112.624 1.968 19904 3962 1 6 . 1 1 93 93 THR HA H 93 3.807 3.807 4.201 -0.394 19904 3963 1 6 . 1 1 93 93 THR C C 93 173.478 173.478 175.115 -1.637 19904 3964 1 6 . 1 1 93 93 THR CA C 93 66.000 66.000 65.289 0.711 19904 3965 1 6 . 1 1 93 93 THR CB C 93 68.763 68.763 68.611 0.152 19904 3966 1 6 . 1 1 93 93 THR H H 93 8.609 8.609 8.313 0.296 19904 3967 1 6 . 1 1 94 94 VAL N N 94 118.669 118.669 121.543 -2.874 19904 3968 1 6 . 1 1 94 94 VAL HA H 94 3.688 3.688 4.040 -0.352 19904 3969 1 6 . 1 1 94 94 VAL C C 94 176.137 176.137 177.213 -1.076 19904 3970 1 6 . 1 1 94 94 VAL CA C 94 64.692 64.692 63.657 1.035 19904 3971 1 6 . 1 1 94 94 VAL CB C 94 32.207 32.207 31.296 0.911 19904 3972 1 6 . 1 1 94 94 VAL H H 94 6.772 6.772 7.331 -0.559 19904 3973 1 6 . 1 1 95 95 ALA N N 95 123.356 123.356 122.945 0.411 19904 3974 1 6 . 1 1 95 95 ALA HA H 95 3.128 3.128 3.693 -0.565 19904 3975 1 6 . 1 1 95 95 ALA C C 95 177.254 177.254 178.182 -0.928 19904 3976 1 6 . 1 1 95 95 ALA CA C 95 55.202 55.202 54.822 0.380 19904 3977 1 6 . 1 1 95 95 ALA CB C 95 17.905 17.905 17.956 -0.051 19904 3978 1 6 . 1 1 95 95 ALA H H 95 8.890 8.890 8.117 0.773 19904 3979 1 6 . 1 1 96 96 PHE N N 96 111.667 111.667 113.482 -1.815 19904 3980 1 6 . 1 1 96 96 PHE HA H 96 4.170 4.170 4.608 -0.438 19904 3981 1 6 . 1 1 96 96 PHE C C 96 171.898 171.898 176.697 -4.799 19904 3982 1 6 . 1 1 96 96 PHE CA C 96 61.633 61.633 58.739 2.894 19904 3983 1 6 . 1 1 96 96 PHE CB C 96 36.448 36.448 39.244 -2.796 19904 3984 1 6 . 1 1 96 96 PHE H H 96 8.431 8.431 7.709 0.722 19904 3985 1 6 . 1 1 97 97 SER N N 97 113.144 113.144 115.992 -2.848 19904 3986 1 6 . 1 1 97 97 SER HA H 97 4.635 4.635 4.524 0.111 19904 3987 1 6 . 1 1 97 97 SER C C 97 172.020 172.020 175.125 -3.105 19904 3988 1 6 . 1 1 97 97 SER CA C 97 58.521 58.521 59.338 -0.817 19904 3989 1 6 . 1 1 97 97 SER CB C 97 64.820 64.820 64.023 0.797 19904 3990 1 6 . 1 1 97 97 SER H H 97 7.348 7.348 7.734 -0.386 19904 3991 1 6 . 1 1 98 98 LEU N N 98 121.390 121.390 120.697 0.693 19904 3992 1 6 . 1 1 98 98 LEU HA H 98 4.131 4.131 4.138 -0.007 19904 3993 1 6 . 1 1 98 98 LEU C C 98 175.754 175.754 176.326 -0.572 19904 3994 1 6 . 1 1 98 98 LEU CA C 98 55.059 55.059 55.465 -0.406 19904 3995 1 6 . 1 1 98 98 LEU CB C 98 42.757 42.757 41.994 0.763 19904 3996 1 6 . 1 1 98 98 LEU H H 98 6.790 6.790 7.845 -1.055 19904 3997 1 6 . 1 1 99 99 LYS N N 99 124.409 124.409 118.813 5.596 19904 3998 1 6 . 1 1 99 99 LYS HA H 99 4.245 4.245 4.340 -0.095 19904 3999 1 6 . 1 1 99 99 LYS C C 99 173.517 173.517 176.450 -2.933 19904 4000 1 6 . 1 1 99 99 LYS CA C 99 55.439 55.439 55.416 0.023 19904 4001 1 6 . 1 1 99 99 LYS CB C 99 32.792 32.792 33.658 -0.866 19904 4002 1 6 . 1 1 99 99 LYS H H 99 9.086 9.086 8.322 0.764 19904 4003 1 6 . 1 1 100 100 SER N N 100 115.642 115.642 116.290 -0.648 19904 4004 1 6 . 1 1 100 100 SER HA H 100 3.294 3.294 4.170 -0.876 19904 4005 1 6 . 1 1 100 100 SER C C 100 172.722 172.722 175.427 -2.705 19904 4006 1 6 . 1 1 100 100 SER CA C 100 60.816 60.816 59.836 0.980 19904 4007 1 6 . 1 1 100 100 SER CB C 100 62.342 62.342 62.970 -0.628 19904 4008 1 6 . 1 1 100 100 SER H H 100 8.469 8.469 8.331 0.138 19904 4009 1 6 . 1 1 101 101 GLY N N 101 114.871 114.871 112.490 2.381 19904 4010 1 6 . 1 1 101 101 GLY C C 101 169.465 169.465 173.369 -3.904 19904 4011 1 6 . 1 1 101 101 GLY CA C 101 45.415 45.415 45.652 -0.237 19904 4012 1 6 . 1 1 101 101 GLY H H 101 8.486 8.486 8.627 -0.141 19904 4013 1 6 . 1 1 102 102 GLU N N 102 119.387 119.387 117.923 1.464 19904 4014 1 6 . 1 1 102 102 GLU HA H 102 4.742 4.742 4.995 -0.253 19904 4015 1 6 . 1 1 102 102 GLU C C 102 171.675 171.675 174.538 -2.863 19904 4016 1 6 . 1 1 102 102 GLU CA C 102 55.276 55.276 54.449 0.827 19904 4017 1 6 . 1 1 102 102 GLU CB C 102 32.307 32.307 33.426 -1.119 19904 4018 1 6 . 1 1 102 102 GLU H H 102 7.594 7.594 7.439 0.155 19904 4019 1 6 . 1 1 103 103 VAL N N 103 119.700 119.700 121.771 -2.071 19904 4020 1 6 . 1 1 103 103 VAL HA H 103 4.836 4.836 4.337 0.499 19904 4021 1 6 . 1 1 103 103 VAL C C 103 173.611 173.611 175.793 -2.182 19904 4022 1 6 . 1 1 103 103 VAL CA C 103 58.953 58.953 61.028 -2.075 19904 4023 1 6 . 1 1 103 103 VAL CB C 103 33.653 33.653 33.358 0.295 19904 4024 1 6 . 1 1 103 103 VAL H H 103 7.884 7.884 8.699 -0.815 19904 4025 1 6 . 1 1 104 104 SER N N 104 123.705 123.705 123.206 0.499 19904 4026 1 6 . 1 1 104 104 SER HA H 104 4.045 4.045 4.427 -0.382 19904 4027 1 6 . 1 1 104 104 SER C C 104 170.420 170.420 174.217 -3.797 19904 4028 1 6 . 1 1 104 104 SER CA C 104 58.515 58.515 58.065 0.451 19904 4029 1 6 . 1 1 104 104 SER CB C 104 66.400 66.400 64.613 1.787 19904 4030 1 6 . 1 1 104 104 SER H H 104 9.056 9.056 8.739 0.317 19904 4031 1 6 . 1 1 105 105 ALA N N 105 117.355 117.355 124.167 -6.812 19904 4032 1 6 . 1 1 105 105 ALA HA H 105 4.395 4.395 4.363 0.032 19904 4033 1 6 . 1 1 105 105 ALA C C 105 172.593 172.593 176.259 -3.666 19904 4034 1 6 . 1 1 105 105 ALA CA C 105 51.112 51.112 51.310 -0.198 19904 4035 1 6 . 1 1 105 105 ALA CB C 105 16.566 16.566 18.205 -1.639 19904 4036 1 6 . 1 1 105 105 ALA H H 105 7.269 7.269 8.316 -1.047 19904 4037 1 6 . 1 1 106 106 PRO HA H 106 4.684 4.684 4.320 0.364 19904 4038 1 6 . 1 1 106 106 PRO C C 106 174.527 174.527 175.615 -1.088 19904 4039 1 6 . 1 1 106 106 PRO CA C 106 63.191 63.191 62.602 0.589 19904 4040 1 6 . 1 1 106 106 PRO CB C 106 30.197 30.197 30.770 -0.573 19904 4041 1 6 . 1 1 107 107 VAL N N 107 124.996 124.996 124.795 0.201 19904 4042 1 6 . 1 1 107 107 VAL HA H 107 4.410 4.410 4.060 0.350 19904 4043 1 6 . 1 1 107 107 VAL C C 107 171.642 171.642 175.772 -4.130 19904 4044 1 6 . 1 1 107 107 VAL CA C 107 60.030 60.030 62.757 -2.727 19904 4045 1 6 . 1 1 107 107 VAL CB C 107 34.707 34.707 32.689 2.018 19904 4046 1 6 . 1 1 107 107 VAL H H 107 8.969 8.969 7.944 1.025 19904 4047 1 6 . 1 1 108 108 GLU N N 108 128.257 128.257 126.463 1.794 19904 4048 1 6 . 1 1 108 108 GLU HA H 108 5.188 5.188 5.119 0.069 19904 4049 1 6 . 1 1 108 108 GLU C C 108 173.786 173.786 176.011 -2.225 19904 4050 1 6 . 1 1 108 108 GLU CA C 108 56.033 56.033 55.502 0.531 19904 4051 1 6 . 1 1 108 108 GLU CB C 108 31.648 31.648 33.384 -1.736 19904 4052 1 6 . 1 1 108 108 GLU H H 108 8.971 8.971 8.678 0.293 19904 4053 1 6 . 1 1 109 109 THR N N 109 115.774 115.774 119.143 -3.369 19904 4054 1 6 . 1 1 109 109 THR HA H 109 4.828 4.828 4.770 0.058 19904 4055 1 6 . 1 1 109 109 THR C C 109 173.458 173.458 173.854 -0.396 19904 4056 1 6 . 1 1 109 109 THR CA C 109 61.175 61.175 60.823 0.352 19904 4057 1 6 . 1 1 109 109 THR CB C 109 72.651 72.651 70.891 1.760 19904 4058 1 6 . 1 1 109 109 THR H H 109 9.378 9.378 8.867 0.511 19904 4059 1 6 . 1 1 110 110 GLU N N 110 118.681 118.681 120.877 -2.196 19904 4060 1 6 . 1 1 110 110 GLU HA H 110 4.354 4.354 4.157 0.197 19904 4061 1 6 . 1 1 110 110 GLU C C 110 174.619 174.619 177.565 -2.946 19904 4062 1 6 . 1 1 110 110 GLU CA C 110 58.130 58.130 58.630 -0.499 19904 4063 1 6 . 1 1 110 110 GLU CB C 110 28.500 28.500 29.329 -0.829 19904 4064 1 6 . 1 1 110 110 GLU H H 110 9.445 9.445 8.851 0.594 19904 4065 1 6 . 1 1 111 111 LEU N N 111 118.396 118.396 117.699 0.697 19904 4066 1 6 . 1 1 111 111 LEU HA H 111 4.235 4.235 4.356 -0.121 19904 4067 1 6 . 1 1 111 111 LEU C C 111 173.650 173.650 177.481 -3.831 19904 4068 1 6 . 1 1 111 111 LEU CA C 111 55.074 55.074 55.694 -0.620 19904 4069 1 6 . 1 1 111 111 LEU CB C 111 41.376 41.376 42.644 -1.268 19904 4070 1 6 . 1 1 111 111 LEU H H 111 8.849 8.849 7.936 0.913 19904 4071 1 6 . 1 1 112 112 GLY N N 112 103.523 103.523 102.220 1.303 19904 4072 1 6 . 1 1 112 112 GLY C C 112 166.641 166.641 172.067 -5.426 19904 4073 1 6 . 1 1 112 112 GLY CA C 112 43.820 43.820 45.177 -1.357 19904 4074 1 6 . 1 1 112 112 GLY H H 112 7.437 7.437 7.739 -0.302 19904 4075 1 6 . 1 1 113 113 VAL N N 113 121.766 121.766 121.809 -0.043 19904 4076 1 6 . 1 1 113 113 VAL HA H 113 4.636 4.636 4.808 -0.172 19904 4077 1 6 . 1 1 113 113 VAL C C 113 171.516 171.516 175.578 -4.062 19904 4078 1 6 . 1 1 113 113 VAL CA C 113 61.125 61.125 61.587 -0.463 19904 4079 1 6 . 1 1 113 113 VAL CB C 113 32.510 32.510 32.551 -0.041 19904 4080 1 6 . 1 1 113 113 VAL H H 113 8.870 8.870 7.737 1.133 19904 4081 1 6 . 1 1 114 114 HIS N N 114 125.383 125.383 126.754 -1.371 19904 4082 1 6 . 1 1 114 114 HIS HA H 114 5.669 5.669 5.710 -0.041 19904 4083 1 6 . 1 1 114 114 HIS C C 114 174.524 174.524 173.956 0.568 19904 4084 1 6 . 1 1 114 114 HIS CA C 114 53.960 53.960 54.153 -0.193 19904 4085 1 6 . 1 1 114 114 HIS CB C 114 30.978 30.978 33.413 -2.435 19904 4086 1 6 . 1 1 114 114 HIS H H 114 9.850 9.850 9.143 0.707 19904 4087 1 6 . 1 1 115 115 LEU N N 115 117.609 117.609 123.517 -5.908 19904 4088 1 6 . 1 1 115 115 LEU HA H 115 4.330 4.330 4.654 -0.324 19904 4089 1 6 . 1 1 115 115 LEU C C 115 172.779 172.779 175.208 -2.429 19904 4090 1 6 . 1 1 115 115 LEU CA C 115 54.545 54.545 54.444 0.101 19904 4091 1 6 . 1 1 115 115 LEU CB C 115 43.651 43.651 44.437 -0.786 19904 4092 1 6 . 1 1 115 115 LEU H H 115 8.459 8.459 8.300 0.159 19904 4093 1 6 . 1 1 116 116 ILE N N 116 124.233 124.233 124.700 -0.467 19904 4094 1 6 . 1 1 116 116 ILE HA H 116 4.391 4.391 4.788 -0.397 19904 4095 1 6 . 1 1 116 116 ILE C C 116 169.528 169.528 174.260 -4.732 19904 4096 1 6 . 1 1 116 116 ILE CA C 116 60.408 60.408 59.467 0.941 19904 4097 1 6 . 1 1 116 116 ILE CB C 116 40.360 40.360 39.874 0.486 19904 4098 1 6 . 1 1 116 116 ILE H H 116 8.597 8.597 8.242 0.355 19904 4099 1 6 . 1 1 117 117 TYR N N 117 126.661 126.661 122.014 4.647 19904 4100 1 6 . 1 1 117 117 TYR HA H 117 5.020 5.020 4.944 0.076 19904 4101 1 6 . 1 1 117 117 TYR C C 117 171.915 171.915 172.556 -0.641 19904 4102 1 6 . 1 1 117 117 TYR CA C 117 54.073 54.073 55.542 -1.469 19904 4103 1 6 . 1 1 117 117 TYR CB C 117 40.842 40.842 41.328 -0.486 19904 4104 1 6 . 1 1 117 117 TYR H H 117 8.646 8.646 7.653 0.993 19904 4105 1 6 . 1 1 118 118 ARG N N 118 126.514 126.514 122.688 3.826 19904 4106 1 6 . 1 1 118 118 ARG HA H 118 4.686 4.686 4.259 0.427 19904 4107 1 6 . 1 1 118 118 ARG C C 118 171.048 171.048 173.797 -2.749 19904 4108 1 6 . 1 1 118 118 ARG CA C 118 54.269 54.269 54.501 -0.232 19904 4109 1 6 . 1 1 118 118 ARG CB C 118 30.628 30.628 31.807 -1.179 19904 4110 1 6 . 1 1 118 118 ARG H H 118 7.162 7.162 7.917 -0.755 19904 4111 1 6 . 1 1 119 119 VAL N N 119 124.856 124.856 124.059 0.797 19904 4112 1 6 . 1 1 119 119 VAL HA H 119 3.446 3.446 4.057 -0.611 19904 4113 1 6 . 1 1 119 119 VAL C C 119 171.576 171.576 175.359 -3.783 19904 4114 1 6 . 1 1 119 119 VAL CA C 119 62.315 62.315 59.531 2.784 19904 4115 1 6 . 1 1 119 119 VAL CB C 119 32.676 32.676 35.240 -2.564 19904 4116 1 6 . 1 1 119 119 VAL H H 119 7.418 7.418 7.894 -0.476 19904 4117 1 7 . 1 1 2 2 THR N N 2 114.985 114.985 114.480 0.505 19904 4118 1 7 . 1 1 2 2 THR HA H 2 4.233 4.233 4.769 -0.536 19904 4119 1 7 . 1 1 2 2 THR C C 2 170.697 170.697 173.493 -2.796 19904 4120 1 7 . 1 1 2 2 THR CA C 2 61.775 61.775 61.927 -0.152 19904 4121 1 7 . 1 1 2 2 THR CB C 2 69.429 69.429 71.551 -2.122 19904 4122 1 7 . 1 1 2 2 THR H H 2 8.140 8.140 8.422 -0.282 19904 4123 1 7 . 1 1 3 3 GLU N N 3 121.736 121.736 121.490 0.246 19904 4124 1 7 . 1 1 3 3 GLU HA H 3 5.206 5.206 5.266 -0.060 19904 4125 1 7 . 1 1 3 3 GLU C C 3 173.028 173.028 175.131 -2.103 19904 4126 1 7 . 1 1 3 3 GLU CA C 3 54.900 54.900 55.159 -0.259 19904 4127 1 7 . 1 1 3 3 GLU CB C 3 31.659 31.659 31.952 -0.293 19904 4128 1 7 . 1 1 3 3 GLU H H 3 8.108 8.108 8.658 -0.550 19904 4129 1 7 . 1 1 4 4 ARG N N 4 120.713 120.713 123.313 -2.600 19904 4130 1 7 . 1 1 4 4 ARG HA H 4 4.360 4.360 4.500 -0.140 19904 4131 1 7 . 1 1 4 4 ARG C C 4 170.103 170.103 173.559 -3.456 19904 4132 1 7 . 1 1 4 4 ARG CA C 4 53.816 53.816 53.563 0.253 19904 4133 1 7 . 1 1 4 4 ARG CB C 4 35.162 35.162 33.085 2.077 19904 4134 1 7 . 1 1 4 4 ARG H H 4 8.309 8.309 8.678 -0.369 19904 4135 1 7 . 1 1 5 5 HIS N N 5 121.423 121.423 119.983 1.440 19904 4136 1 7 . 1 1 5 5 HIS HA H 5 5.197 5.197 4.461 0.736 19904 4137 1 7 . 1 1 5 5 HIS C C 5 170.917 170.917 172.840 -1.923 19904 4138 1 7 . 1 1 5 5 HIS CA C 5 52.151 52.151 54.297 -2.146 19904 4139 1 7 . 1 1 5 5 HIS CB C 5 29.920 29.920 30.937 -1.017 19904 4140 1 7 . 1 1 5 5 HIS H H 5 8.591 8.591 8.162 0.429 19904 4141 1 7 . 1 1 6 6 PHE N N 6 122.961 122.961 120.493 2.468 19904 4142 1 7 . 1 1 6 6 PHE HA H 6 6.042 6.042 4.271 1.771 19904 4143 1 7 . 1 1 6 6 PHE C C 6 171.599 171.599 172.321 -0.722 19904 4144 1 7 . 1 1 6 6 PHE CA C 6 55.284 55.284 54.817 0.467 19904 4145 1 7 . 1 1 6 6 PHE CB C 6 43.276 43.276 38.869 4.407 19904 4146 1 7 . 1 1 6 6 PHE H H 6 7.523 7.523 7.956 -0.433 19904 4147 1 7 . 1 1 7 7 TYR N N 7 119.822 119.822 117.094 2.728 19904 4148 1 7 . 1 1 7 7 TYR HA H 7 5.692 5.692 5.225 0.467 19904 4149 1 7 . 1 1 7 7 TYR C C 7 173.785 173.785 174.595 -0.810 19904 4150 1 7 . 1 1 7 7 TYR CA C 7 55.865 55.865 56.572 -0.707 19904 4151 1 7 . 1 1 7 7 TYR CB C 7 44.067 44.067 41.454 2.613 19904 4152 1 7 . 1 1 7 7 TYR H H 7 9.313 9.313 8.261 1.052 19904 4153 1 7 . 1 1 8 8 HIS N N 8 114.648 114.648 115.533 -0.885 19904 4154 1 7 . 1 1 8 8 HIS HA H 8 6.178 6.178 5.923 0.255 19904 4155 1 7 . 1 1 8 8 HIS C C 8 170.959 170.959 173.549 -2.590 19904 4156 1 7 . 1 1 8 8 HIS CA C 8 54.875 54.875 53.527 1.348 19904 4157 1 7 . 1 1 8 8 HIS CB C 8 36.453 36.453 34.427 2.026 19904 4158 1 7 . 1 1 8 8 HIS H H 8 9.369 9.369 8.509 0.860 19904 4159 1 7 . 1 1 9 9 VAL N N 9 120.650 120.650 118.490 2.160 19904 4160 1 7 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.947 -0.386 19904 4161 1 7 . 1 1 9 9 VAL C C 9 170.078 170.078 174.060 -3.982 19904 4162 1 7 . 1 1 9 9 VAL CA C 9 61.367 61.367 60.936 0.431 19904 4163 1 7 . 1 1 9 9 VAL CB C 9 34.926 34.926 34.243 0.683 19904 4164 1 7 . 1 1 9 9 VAL H H 9 8.936 8.936 8.111 0.825 19904 4165 1 7 . 1 1 10 10 LEU N N 10 125.870 125.870 129.875 -4.005 19904 4166 1 7 . 1 1 10 10 LEU HA H 10 4.614 4.614 5.065 -0.451 19904 4167 1 7 . 1 1 10 10 LEU C C 10 171.186 171.186 174.616 -3.430 19904 4168 1 7 . 1 1 10 10 LEU CA C 10 52.217 52.217 53.411 -1.194 19904 4169 1 7 . 1 1 10 10 LEU CB C 10 46.523 46.523 43.999 2.524 19904 4170 1 7 . 1 1 10 10 LEU H H 10 7.452 7.452 8.748 -1.296 19904 4171 1 7 . 1 1 11 11 VAL N N 11 128.355 128.355 125.901 2.454 19904 4172 1 7 . 1 1 11 11 VAL HA H 11 4.086 4.086 4.491 -0.405 19904 4173 1 7 . 1 1 11 11 VAL C C 11 173.155 173.155 173.696 -0.541 19904 4174 1 7 . 1 1 11 11 VAL CA C 11 61.124 61.124 60.307 0.817 19904 4175 1 7 . 1 1 11 11 VAL CB C 11 32.522 32.522 34.259 -1.737 19904 4176 1 7 . 1 1 11 11 VAL H H 11 9.422 9.422 8.647 0.775 19904 4177 1 7 . 1 1 12 12 LYS N N 12 123.610 123.610 129.248 -5.638 19904 4178 1 7 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.511 -0.296 19904 4179 1 7 . 1 1 12 12 LYS C C 12 170.645 170.645 174.758 -4.113 19904 4180 1 7 . 1 1 12 12 LYS CA C 12 56.259 56.259 56.095 0.164 19904 4181 1 7 . 1 1 12 12 LYS CB C 12 34.702 34.702 34.158 0.544 19904 4182 1 7 . 1 1 12 12 LYS H H 12 9.071 9.071 8.684 0.387 19904 4183 1 7 . 1 1 13 13 HIS N N 13 110.414 110.414 116.030 -5.616 19904 4184 1 7 . 1 1 13 13 HIS HA H 13 4.396 4.396 4.711 -0.315 19904 4185 1 7 . 1 1 13 13 HIS C C 13 172.651 172.651 174.739 -2.088 19904 4186 1 7 . 1 1 13 13 HIS CA C 13 54.368 54.368 55.696 -1.328 19904 4187 1 7 . 1 1 13 13 HIS CB C 13 33.731 33.731 32.431 1.300 19904 4188 1 7 . 1 1 13 13 HIS H H 13 6.186 6.186 7.873 -1.687 19904 4189 1 7 . 1 1 14 14 LYS N N 14 115.373 115.373 120.445 -5.072 19904 4190 1 7 . 1 1 14 14 LYS HA H 14 4.074 4.074 3.987 0.087 19904 4191 1 7 . 1 1 14 14 LYS C C 14 172.860 172.860 176.418 -3.558 19904 4192 1 7 . 1 1 14 14 LYS CA C 14 58.131 58.131 57.630 0.501 19904 4193 1 7 . 1 1 14 14 LYS CB C 14 32.074 32.074 31.923 0.151 19904 4194 1 7 . 1 1 14 14 LYS H H 14 9.074 9.074 8.125 0.949 19904 4195 1 7 . 1 1 15 15 ASP N N 15 119.786 119.786 118.859 0.927 19904 4196 1 7 . 1 1 15 15 ASP HA H 15 5.117 5.117 4.613 0.504 19904 4197 1 7 . 1 1 15 15 ASP C C 15 173.969 173.969 176.950 -2.981 19904 4198 1 7 . 1 1 15 15 ASP CA C 15 54.644 54.644 53.806 0.838 19904 4199 1 7 . 1 1 15 15 ASP CB C 15 41.772 41.772 41.212 0.560 19904 4200 1 7 . 1 1 15 15 ASP H H 15 8.951 8.951 7.166 1.785 19904 4201 1 7 . 1 1 16 16 VAL N N 16 113.297 113.297 115.864 -2.567 19904 4202 1 7 . 1 1 16 16 VAL HA H 16 4.353 4.353 4.045 0.308 19904 4203 1 7 . 1 1 16 16 VAL C C 16 172.635 172.635 176.317 -3.682 19904 4204 1 7 . 1 1 16 16 VAL CA C 16 60.510 60.510 61.393 -0.883 19904 4205 1 7 . 1 1 16 16 VAL CB C 16 31.450 31.450 32.470 -1.020 19904 4206 1 7 . 1 1 16 16 VAL H H 16 6.826 6.826 7.444 -0.618 19904 4207 1 7 . 1 1 17 17 ARG N N 17 119.898 119.898 119.814 0.084 19904 4208 1 7 . 1 1 17 17 ARG HA H 17 3.990 3.990 4.119 -0.129 19904 4209 1 7 . 1 1 17 17 ARG C C 17 174.690 174.690 176.779 -2.089 19904 4210 1 7 . 1 1 17 17 ARG CA C 17 58.501 58.501 58.555 -0.054 19904 4211 1 7 . 1 1 17 17 ARG CB C 17 29.664 29.664 30.436 -0.772 19904 4212 1 7 . 1 1 17 17 ARG H H 17 8.305 8.305 8.437 -0.132 19904 4213 1 7 . 1 1 18 18 ARG N N 18 116.580 116.580 116.117 0.463 19904 4214 1 7 . 1 1 18 18 ARG HA H 18 4.643 4.643 4.728 -0.085 19904 4215 1 7 . 1 1 18 18 ARG C C 18 171.330 171.330 174.363 -3.033 19904 4216 1 7 . 1 1 18 18 ARG CA C 18 53.059 53.059 53.824 -0.765 19904 4217 1 7 . 1 1 18 18 ARG CB C 18 29.538 29.538 29.429 0.109 19904 4218 1 7 . 1 1 18 18 ARG H H 18 8.304 8.304 8.321 -0.017 19904 4219 1 7 . 1 1 19 19 PRO HA H 19 4.177 4.177 4.572 -0.395 19904 4220 1 7 . 1 1 19 19 PRO C C 19 171.575 171.575 177.026 -5.451 19904 4221 1 7 . 1 1 19 19 PRO CA C 19 62.693 62.693 63.699 -1.006 19904 4222 1 7 . 1 1 19 19 PRO CB C 19 27.756 27.756 32.183 -4.427 19904 4223 1 7 . 1 1 20 20 SER N N 20 119.112 119.112 114.740 4.372 19904 4224 1 7 . 1 1 20 20 SER HA H 20 5.172 5.172 4.314 0.858 19904 4225 1 7 . 1 1 20 20 SER C C 20 171.036 171.036 173.661 -2.625 19904 4226 1 7 . 1 1 20 20 SER CA C 20 56.630 56.630 58.143 -1.513 19904 4227 1 7 . 1 1 20 20 SER CB C 20 65.310 65.310 64.246 1.065 19904 4228 1 7 . 1 1 20 20 SER H H 20 8.587 8.587 7.788 0.799 19904 4229 1 7 . 1 1 21 21 SER N N 21 116.758 116.758 117.492 -0.734 19904 4230 1 7 . 1 1 21 21 SER HA H 21 4.448 4.448 4.636 -0.188 19904 4231 1 7 . 1 1 21 21 SER C C 21 173.204 173.204 173.170 0.034 19904 4232 1 7 . 1 1 21 21 SER CA C 21 57.984 57.984 57.022 0.962 19904 4233 1 7 . 1 1 21 21 SER CB C 21 63.579 63.579 63.613 -0.034 19904 4234 1 7 . 1 1 21 21 SER H H 21 9.000 9.000 8.455 0.545 19904 4235 1 7 . 1 1 22 22 LEU N N 22 129.332 129.332 128.829 0.503 19904 4236 1 7 . 1 1 22 22 LEU HA H 22 4.560 4.560 4.514 0.046 19904 4237 1 7 . 1 1 22 22 LEU C C 22 172.591 172.591 175.491 -2.900 19904 4238 1 7 . 1 1 22 22 LEU CA C 22 53.332 53.332 52.467 0.865 19904 4239 1 7 . 1 1 22 22 LEU CB C 22 41.996 41.996 39.894 2.102 19904 4240 1 7 . 1 1 22 22 LEU H H 22 8.292 8.292 8.540 -0.248 19904 4241 1 7 . 1 1 23 23 ALA N N 23 125.266 125.266 124.078 1.188 19904 4242 1 7 . 1 1 23 23 ALA HA H 23 4.174 4.174 4.674 -0.500 19904 4243 1 7 . 1 1 23 23 ALA C C 23 176.009 176.009 175.875 0.134 19904 4244 1 7 . 1 1 23 23 ALA CA C 23 50.357 50.357 49.763 0.594 19904 4245 1 7 . 1 1 23 23 ALA CB C 23 18.298 18.298 19.532 -1.234 19904 4246 1 7 . 1 1 23 23 ALA H H 23 7.521 7.521 7.343 0.178 19904 4247 1 7 . 1 1 24 24 PRO HA H 24 4.406 4.406 4.383 0.023 19904 4248 1 7 . 1 1 24 24 PRO C C 24 175.951 175.951 177.221 -1.270 19904 4249 1 7 . 1 1 24 24 PRO CA C 24 64.918 64.918 64.698 0.220 19904 4250 1 7 . 1 1 24 24 PRO CB C 24 31.480 31.480 31.950 -0.470 19904 4251 1 7 . 1 1 25 25 ARG N N 25 113.570 113.570 117.734 -4.164 19904 4252 1 7 . 1 1 25 25 ARG HA H 25 3.997 3.997 4.386 -0.389 19904 4253 1 7 . 1 1 25 25 ARG C C 25 173.076 173.076 176.514 -3.438 19904 4254 1 7 . 1 1 25 25 ARG CA C 25 57.993 57.993 56.645 1.348 19904 4255 1 7 . 1 1 25 25 ARG CB C 25 29.623 29.623 30.072 -0.449 19904 4256 1 7 . 1 1 25 25 ARG H H 25 7.997 7.997 8.492 -0.495 19904 4257 1 7 . 1 1 26 26 ASN N N 26 118.698 118.698 116.596 2.102 19904 4258 1 7 . 1 1 26 26 ASN HA H 26 4.684 4.684 4.750 -0.066 19904 4259 1 7 . 1 1 26 26 ASN C C 26 171.211 171.211 173.744 -2.533 19904 4260 1 7 . 1 1 26 26 ASN CA C 26 51.481 51.481 51.673 -0.192 19904 4261 1 7 . 1 1 26 26 ASN CB C 26 36.343 36.343 38.486 -2.143 19904 4262 1 7 . 1 1 26 26 ASN H H 26 7.314 7.314 8.087 -0.773 19904 4263 1 7 . 1 1 27 27 LYS N N 27 122.069 122.069 120.634 1.435 19904 4264 1 7 . 1 1 27 27 LYS HA H 27 3.545 3.545 4.096 -0.551 19904 4265 1 7 . 1 1 27 27 LYS C C 27 175.308 175.308 177.612 -2.304 19904 4266 1 7 . 1 1 27 27 LYS CA C 27 58.932 58.932 58.378 0.554 19904 4267 1 7 . 1 1 27 27 LYS CB C 27 32.223 32.223 31.717 0.506 19904 4268 1 7 . 1 1 27 27 LYS H H 27 6.739 6.739 7.985 -1.246 19904 4269 1 7 . 1 1 28 28 GLY N N 28 115.186 115.186 111.901 3.285 19904 4270 1 7 . 1 1 28 28 GLY C C 28 172.044 172.044 174.044 -2.000 19904 4271 1 7 . 1 1 28 28 GLY CA C 28 44.167 44.167 44.645 -0.478 19904 4272 1 7 . 1 1 28 28 GLY H H 28 9.170 9.170 8.641 0.529 19904 4273 1 7 . 1 1 29 29 GLU N N 29 123.612 123.612 121.765 1.847 19904 4274 1 7 . 1 1 29 29 GLU HA H 29 3.988 3.988 4.404 -0.416 19904 4275 1 7 . 1 1 29 29 GLU C C 29 173.511 173.511 175.496 -1.985 19904 4276 1 7 . 1 1 29 29 GLU CA C 29 57.456 57.456 55.510 1.946 19904 4277 1 7 . 1 1 29 29 GLU CB C 29 29.848 29.848 30.355 -0.507 19904 4278 1 7 . 1 1 29 29 GLU H H 29 8.247 8.247 7.866 0.381 19904 4279 1 7 . 1 1 30 30 LYS N N 30 127.143 127.143 123.759 3.384 19904 4280 1 7 . 1 1 30 30 LYS HA H 30 4.136 4.136 4.603 -0.467 19904 4281 1 7 . 1 1 30 30 LYS C C 30 173.356 173.356 175.428 -2.072 19904 4282 1 7 . 1 1 30 30 LYS CA C 30 57.006 57.006 54.451 2.555 19904 4283 1 7 . 1 1 30 30 LYS CB C 30 32.352 32.352 35.509 -3.157 19904 4284 1 7 . 1 1 30 30 LYS H H 30 8.580 8.580 8.419 0.161 19904 4285 1 7 . 1 1 31 31 ILE N N 31 125.431 125.431 121.988 3.443 19904 4286 1 7 . 1 1 31 31 ILE HA H 31 4.126 4.126 4.262 -0.136 19904 4287 1 7 . 1 1 31 31 ILE C C 31 172.968 172.968 175.681 -2.713 19904 4288 1 7 . 1 1 31 31 ILE CA C 31 58.365 58.365 60.903 -2.538 19904 4289 1 7 . 1 1 31 31 ILE CB C 31 35.846 35.846 39.879 -4.032 19904 4290 1 7 . 1 1 31 31 ILE H H 31 8.136 8.136 8.348 -0.212 19904 4291 1 7 . 1 1 32 32 THR N N 32 116.000 116.000 117.365 -1.365 19904 4292 1 7 . 1 1 32 32 THR HA H 32 4.391 4.391 4.420 -0.029 19904 4293 1 7 . 1 1 32 32 THR C C 32 172.242 172.242 174.827 -2.585 19904 4294 1 7 . 1 1 32 32 THR CA C 32 60.626 60.626 60.731 -0.105 19904 4295 1 7 . 1 1 32 32 THR CB C 32 69.692 69.692 69.594 0.098 19904 4296 1 7 . 1 1 32 32 THR H H 32 8.501 8.501 8.206 0.295 19904 4297 1 7 . 1 1 33 33 ARG N N 33 122.696 122.696 121.455 1.241 19904 4298 1 7 . 1 1 33 33 ARG HA H 33 4.516 4.516 4.358 0.158 19904 4299 1 7 . 1 1 33 33 ARG C C 33 171.016 171.016 176.136 -5.120 19904 4300 1 7 . 1 1 33 33 ARG CA C 33 55.200 55.200 55.816 -0.616 19904 4301 1 7 . 1 1 33 33 ARG CB C 33 29.990 29.990 31.018 -1.028 19904 4302 1 7 . 1 1 33 33 ARG H H 33 7.156 7.156 7.935 -0.779 19904 4303 1 7 . 1 1 34 34 SER N N 34 117.773 117.773 113.561 4.212 19904 4304 1 7 . 1 1 34 34 SER HA H 34 4.536 4.536 5.078 -0.542 19904 4305 1 7 . 1 1 34 34 SER C C 34 172.654 172.654 176.132 -3.478 19904 4306 1 7 . 1 1 34 34 SER CA C 34 57.072 57.072 56.886 0.186 19904 4307 1 7 . 1 1 34 34 SER CB C 34 65.763 65.763 65.495 0.268 19904 4308 1 7 . 1 1 34 34 SER H H 34 9.144 9.144 8.569 0.575 19904 4309 1 7 . 1 1 35 35 ARG N N 35 122.568 122.568 121.316 1.252 19904 4310 1 7 . 1 1 35 35 ARG HA H 35 3.362 3.362 3.953 -0.591 19904 4311 1 7 . 1 1 35 35 ARG C C 35 174.904 174.904 178.214 -3.310 19904 4312 1 7 . 1 1 35 35 ARG CA C 35 60.234 60.234 59.625 0.609 19904 4313 1 7 . 1 1 35 35 ARG CB C 35 29.363 29.363 29.279 0.084 19904 4314 1 7 . 1 1 35 35 ARG H H 35 8.904 8.904 8.728 0.176 19904 4315 1 7 . 1 1 36 36 ALA N N 36 120.049 120.049 120.281 -0.232 19904 4316 1 7 . 1 1 36 36 ALA HA H 36 3.861 3.861 4.080 -0.219 19904 4317 1 7 . 1 1 36 36 ALA C C 36 177.495 177.495 179.739 -2.244 19904 4318 1 7 . 1 1 36 36 ALA CA C 36 54.849 54.849 54.640 0.209 19904 4319 1 7 . 1 1 36 36 ALA CB C 36 17.598 17.598 17.733 -0.135 19904 4320 1 7 . 1 1 36 36 ALA H H 36 8.120 8.120 8.483 -0.363 19904 4321 1 7 . 1 1 37 37 ASP N N 37 118.222 118.222 119.114 -0.892 19904 4322 1 7 . 1 1 37 37 ASP HA H 37 4.313 4.313 4.449 -0.136 19904 4323 1 7 . 1 1 37 37 ASP C C 37 176.547 176.547 178.107 -1.560 19904 4324 1 7 . 1 1 37 37 ASP CA C 37 56.653 56.653 56.869 -0.216 19904 4325 1 7 . 1 1 37 37 ASP CB C 37 40.656 40.656 41.166 -0.511 19904 4326 1 7 . 1 1 37 37 ASP H H 37 7.877 7.877 7.960 -0.083 19904 4327 1 7 . 1 1 38 38 ALA N N 38 124.726 124.726 123.073 1.653 19904 4328 1 7 . 1 1 38 38 ALA HA H 38 3.928 3.928 3.991 -0.063 19904 4329 1 7 . 1 1 38 38 ALA C C 38 175.791 175.791 179.626 -3.835 19904 4330 1 7 . 1 1 38 38 ALA CA C 38 55.163 55.163 55.161 0.002 19904 4331 1 7 . 1 1 38 38 ALA CB C 38 18.040 18.040 18.413 -0.373 19904 4332 1 7 . 1 1 38 38 ALA H H 38 8.269 8.269 7.541 0.728 19904 4333 1 7 . 1 1 39 39 ILE N N 39 119.010 119.010 117.893 1.117 19904 4334 1 7 . 1 1 39 39 ILE HA H 39 3.476 3.476 3.512 -0.036 19904 4335 1 7 . 1 1 39 39 ILE C C 39 175.129 175.129 177.932 -2.803 19904 4336 1 7 . 1 1 39 39 ILE CA C 39 65.121 65.121 66.106 -0.985 19904 4337 1 7 . 1 1 39 39 ILE CB C 39 37.411 37.411 37.721 -0.310 19904 4338 1 7 . 1 1 39 39 ILE H H 39 7.974 7.974 8.078 -0.104 19904 4339 1 7 . 1 1 40 40 ASN N N 40 117.393 117.393 117.650 -0.257 19904 4340 1 7 . 1 1 40 40 ASN HA H 40 4.332 4.332 4.458 -0.126 19904 4341 1 7 . 1 1 40 40 ASN C C 40 175.608 175.608 177.740 -2.132 19904 4342 1 7 . 1 1 40 40 ASN CA C 40 55.865 55.865 55.831 0.034 19904 4343 1 7 . 1 1 40 40 ASN CB C 40 37.589 37.589 38.523 -0.933 19904 4344 1 7 . 1 1 40 40 ASN H H 40 8.122 8.122 7.562 0.560 19904 4345 1 7 . 1 1 41 41 LEU N N 41 123.846 123.846 122.452 1.394 19904 4346 1 7 . 1 1 41 41 LEU HA H 41 4.127 4.127 3.654 0.473 19904 4347 1 7 . 1 1 41 41 LEU C C 41 175.147 175.147 177.535 -2.388 19904 4348 1 7 . 1 1 41 41 LEU CA C 41 57.816 57.816 57.965 -0.149 19904 4349 1 7 . 1 1 41 41 LEU CB C 41 41.589 41.589 41.248 0.341 19904 4350 1 7 . 1 1 41 41 LEU H H 41 8.220 8.220 7.857 0.363 19904 4351 1 7 . 1 1 42 42 ALA N N 42 120.677 120.677 119.915 0.762 19904 4352 1 7 . 1 1 42 42 ALA HA H 42 3.763 3.763 3.666 0.097 19904 4353 1 7 . 1 1 42 42 ALA C C 42 176.512 176.512 179.668 -3.156 19904 4354 1 7 . 1 1 42 42 ALA CA C 42 55.411 55.411 55.359 0.052 19904 4355 1 7 . 1 1 42 42 ALA CB C 42 17.619 17.619 18.081 -0.462 19904 4356 1 7 . 1 1 42 42 ALA H H 42 7.959 7.959 7.542 0.417 19904 4357 1 7 . 1 1 43 43 GLN N N 43 114.196 114.196 117.048 -2.852 19904 4358 1 7 . 1 1 43 43 GLN HA H 43 3.963 3.963 3.987 -0.024 19904 4359 1 7 . 1 1 43 43 GLN C C 43 176.189 176.189 178.532 -2.343 19904 4360 1 7 . 1 1 43 43 GLN CA C 43 58.629 58.629 58.503 0.126 19904 4361 1 7 . 1 1 43 43 GLN CB C 43 27.777 27.777 28.641 -0.864 19904 4362 1 7 . 1 1 43 43 GLN H H 43 8.275 8.275 7.595 0.680 19904 4363 1 7 . 1 1 44 44 ALA N N 44 124.632 124.632 122.274 2.358 19904 4364 1 7 . 1 1 44 44 ALA HA H 44 4.092 4.092 4.017 0.075 19904 4365 1 7 . 1 1 44 44 ALA C C 44 178.108 178.108 179.197 -1.089 19904 4366 1 7 . 1 1 44 44 ALA CA C 44 54.752 54.752 54.576 0.176 19904 4367 1 7 . 1 1 44 44 ALA CB C 44 17.241 17.241 18.484 -1.243 19904 4368 1 7 . 1 1 44 44 ALA H H 44 8.134 8.134 7.820 0.314 19904 4369 1 7 . 1 1 45 45 ILE N N 45 120.659 120.659 118.670 1.989 19904 4370 1 7 . 1 1 45 45 ILE HA H 45 3.323 3.323 3.660 -0.337 19904 4371 1 7 . 1 1 45 45 ILE C C 45 176.240 176.240 178.375 -2.135 19904 4372 1 7 . 1 1 45 45 ILE CA C 45 65.254 65.254 65.404 -0.150 19904 4373 1 7 . 1 1 45 45 ILE CB C 45 37.531 37.531 38.036 -0.505 19904 4374 1 7 . 1 1 45 45 ILE H H 45 7.970 7.970 7.996 -0.026 19904 4375 1 7 . 1 1 46 46 LEU N N 46 117.950 117.950 118.316 -0.366 19904 4376 1 7 . 1 1 46 46 LEU HA H 46 4.223 4.223 4.299 -0.076 19904 4377 1 7 . 1 1 46 46 LEU C C 46 177.868 177.868 177.653 0.215 19904 4378 1 7 . 1 1 46 46 LEU CA C 46 57.585 57.585 57.914 -0.329 19904 4379 1 7 . 1 1 46 46 LEU CB C 46 41.627 41.627 41.130 0.497 19904 4380 1 7 . 1 1 46 46 LEU H H 46 7.360 7.360 7.495 -0.135 19904 4381 1 7 . 1 1 47 47 ALA N N 47 120.942 120.942 119.001 1.941 19904 4382 1 7 . 1 1 47 47 ALA HA H 47 4.072 4.072 4.255 -0.182 19904 4383 1 7 . 1 1 47 47 ALA C C 47 176.501 176.501 178.755 -2.254 19904 4384 1 7 . 1 1 47 47 ALA CA C 47 53.869 53.869 53.319 0.550 19904 4385 1 7 . 1 1 47 47 ALA CB C 47 17.600 17.600 18.032 -0.432 19904 4386 1 7 . 1 1 47 47 ALA H H 47 8.135 8.135 7.140 0.995 19904 4387 1 7 . 1 1 48 48 GLN N N 48 116.773 116.773 117.340 -0.567 19904 4388 1 7 . 1 1 48 48 GLN HA H 48 3.947 3.947 4.193 -0.246 19904 4389 1 7 . 1 1 48 48 GLN C C 48 173.703 173.703 177.066 -3.363 19904 4390 1 7 . 1 1 48 48 GLN CA C 48 57.455 57.455 57.530 -0.075 19904 4391 1 7 . 1 1 48 48 GLN CB C 48 27.999 27.999 28.764 -0.765 19904 4392 1 7 . 1 1 48 48 GLN H H 48 7.615 7.615 8.235 -0.620 19904 4393 1 7 . 1 1 49 49 HIS N N 49 116.736 116.736 115.839 0.897 19904 4394 1 7 . 1 1 49 49 HIS HA H 49 4.686 4.686 4.521 0.165 19904 4395 1 7 . 1 1 49 49 HIS C C 49 172.191 172.191 173.995 -1.804 19904 4396 1 7 . 1 1 49 49 HIS CA C 49 53.597 53.597 52.270 1.327 19904 4397 1 7 . 1 1 49 49 HIS CB C 49 28.298 28.298 27.109 1.189 19904 4398 1 7 . 1 1 49 49 HIS H H 49 7.373 7.373 7.659 -0.286 19904 4399 1 7 . 1 1 50 50 LYS N N 50 119.417 119.417 122.784 -3.367 19904 4400 1 7 . 1 1 50 50 LYS HA H 50 4.048 4.048 4.085 -0.037 19904 4401 1 7 . 1 1 50 50 LYS C C 50 174.041 174.041 176.767 -2.726 19904 4402 1 7 . 1 1 50 50 LYS CA C 50 58.207 58.207 56.937 1.270 19904 4403 1 7 . 1 1 50 50 LYS CB C 50 31.869 31.869 31.166 0.703 19904 4404 1 7 . 1 1 50 50 LYS H H 50 7.494 7.494 7.657 -0.163 19904 4405 1 7 . 1 1 51 51 GLU N N 51 117.754 117.754 119.891 -2.137 19904 4406 1 7 . 1 1 51 51 GLU HA H 51 4.097 4.097 3.883 0.214 19904 4407 1 7 . 1 1 51 51 GLU C C 51 173.337 173.337 175.278 -1.941 19904 4408 1 7 . 1 1 51 51 GLU CA C 51 57.273 57.273 57.399 -0.126 19904 4409 1 7 . 1 1 51 51 GLU CB C 51 28.391 28.391 28.167 0.224 19904 4410 1 7 . 1 1 51 51 GLU H H 51 8.916 8.916 8.661 0.255 19904 4411 1 7 . 1 1 52 52 ARG N N 52 118.808 118.808 117.530 1.278 19904 4412 1 7 . 1 1 52 52 ARG HA H 52 4.511 4.511 4.416 0.095 19904 4413 1 7 . 1 1 52 52 ARG C C 52 172.824 172.824 173.585 -0.761 19904 4414 1 7 . 1 1 52 52 ARG CA C 52 55.657 55.657 55.677 -0.020 19904 4415 1 7 . 1 1 52 52 ARG CB C 52 31.484 31.484 32.438 -0.954 19904 4416 1 7 . 1 1 52 52 ARG H H 52 7.708 7.708 8.018 -0.310 19904 4417 1 7 . 1 1 53 53 LYS N N 53 121.953 121.953 119.269 2.684 19904 4418 1 7 . 1 1 53 53 LYS HA H 53 4.502 4.502 4.697 -0.195 19904 4419 1 7 . 1 1 53 53 LYS C C 53 173.892 173.892 174.491 -0.599 19904 4420 1 7 . 1 1 53 53 LYS CA C 53 56.580 56.580 56.165 0.415 19904 4421 1 7 . 1 1 53 53 LYS CB C 53 32.659 32.659 32.106 0.553 19904 4422 1 7 . 1 1 53 53 LYS H H 53 8.698 8.698 8.291 0.407 19904 4423 1 7 . 1 1 54 54 THR N N 54 109.590 109.590 115.287 -5.697 19904 4424 1 7 . 1 1 54 54 THR HA H 54 4.925 4.925 4.937 -0.012 19904 4425 1 7 . 1 1 54 54 THR C C 54 171.619 171.619 173.299 -1.680 19904 4426 1 7 . 1 1 54 54 THR CA C 54 59.929 59.929 61.812 -1.883 19904 4427 1 7 . 1 1 54 54 THR CB C 54 70.010 70.010 70.888 -0.878 19904 4428 1 7 . 1 1 54 54 THR H H 54 7.485 7.485 7.642 -0.157 19904 4429 1 7 . 1 1 55 55 TRP N N 55 125.280 125.280 128.100 -2.820 19904 4430 1 7 . 1 1 55 55 TRP HA H 55 4.994 4.994 4.900 0.094 19904 4431 1 7 . 1 1 55 55 TRP C C 55 174.476 174.476 175.767 -1.291 19904 4432 1 7 . 1 1 55 55 TRP CA C 55 55.069 55.069 56.575 -1.506 19904 4433 1 7 . 1 1 55 55 TRP CB C 55 31.112 31.112 30.306 0.806 19904 4434 1 7 . 1 1 55 55 TRP H H 55 9.334 9.334 8.349 0.985 19904 4435 1 7 . 1 1 56 56 SER N N 56 122.007 122.007 118.507 3.500 19904 4436 1 7 . 1 1 56 56 SER HA H 56 4.681 4.681 4.690 -0.009 19904 4437 1 7 . 1 1 56 56 SER C C 56 172.033 172.033 175.597 -3.564 19904 4438 1 7 . 1 1 56 56 SER CA C 56 56.530 56.530 57.525 -0.995 19904 4439 1 7 . 1 1 56 56 SER CB C 56 65.129 65.129 64.580 0.549 19904 4440 1 7 . 1 1 56 56 SER H H 56 9.350 9.350 8.766 0.584 19904 4441 1 7 . 1 1 57 57 LEU N N 57 123.899 123.899 123.225 0.674 19904 4442 1 7 . 1 1 57 57 LEU HA H 57 3.895 3.895 4.977 -1.082 19904 4443 1 7 . 1 1 57 57 LEU C C 57 175.734 175.734 178.730 -2.996 19904 4444 1 7 . 1 1 57 57 LEU CA C 57 58.307 58.307 57.846 0.461 19904 4445 1 7 . 1 1 57 57 LEU CB C 57 40.951 40.951 41.781 -0.830 19904 4446 1 7 . 1 1 57 57 LEU H H 57 8.828 8.828 8.672 0.156 19904 4447 1 7 . 1 1 58 58 ASP N N 58 115.249 115.249 117.594 -2.345 19904 4448 1 7 . 1 1 58 58 ASP HA H 58 4.183 4.183 4.569 -0.386 19904 4449 1 7 . 1 1 58 58 ASP C C 58 176.605 176.605 177.660 -1.055 19904 4450 1 7 . 1 1 58 58 ASP CA C 58 57.043 57.043 56.791 0.252 19904 4451 1 7 . 1 1 58 58 ASP CB C 58 40.308 40.308 40.916 -0.608 19904 4452 1 7 . 1 1 58 58 ASP H H 58 8.229 8.229 8.543 -0.314 19904 4453 1 7 . 1 1 59 59 GLU N N 59 118.743 118.743 119.402 -0.659 19904 4454 1 7 . 1 1 59 59 GLU HA H 59 3.912 3.912 4.328 -0.416 19904 4455 1 7 . 1 1 59 59 GLU C C 59 176.819 176.819 178.107 -1.288 19904 4456 1 7 . 1 1 59 59 GLU CA C 59 58.459 58.459 58.893 -0.434 19904 4457 1 7 . 1 1 59 59 GLU CB C 59 30.086 30.086 29.986 0.100 19904 4458 1 7 . 1 1 59 59 GLU H H 59 7.589 7.589 8.014 -0.425 19904 4459 1 7 . 1 1 60 60 PHE N N 60 121.809 121.809 120.778 1.031 19904 4460 1 7 . 1 1 60 60 PHE HA H 60 4.147 4.147 4.127 0.020 19904 4461 1 7 . 1 1 60 60 PHE C C 60 174.448 174.448 177.840 -3.392 19904 4462 1 7 . 1 1 60 60 PHE CA C 60 62.439 62.439 61.653 0.786 19904 4463 1 7 . 1 1 60 60 PHE CB C 60 38.980 38.980 39.093 -0.113 19904 4464 1 7 . 1 1 60 60 PHE H H 60 8.055 8.055 7.774 0.281 19904 4465 1 7 . 1 1 61 61 VAL N N 61 118.759 118.759 115.676 3.083 19904 4466 1 7 . 1 1 61 61 VAL HA H 61 3.465 3.465 3.698 -0.233 19904 4467 1 7 . 1 1 61 61 VAL C C 61 175.119 175.119 177.802 -2.683 19904 4468 1 7 . 1 1 61 61 VAL CA C 61 66.454 66.454 66.281 0.173 19904 4469 1 7 . 1 1 61 61 VAL CB C 61 31.345 31.345 30.881 0.463 19904 4470 1 7 . 1 1 61 61 VAL H H 61 9.098 9.098 7.932 1.166 19904 4471 1 7 . 1 1 62 62 GLN N N 62 117.732 117.732 119.007 -1.275 19904 4472 1 7 . 1 1 62 62 GLN HA H 62 3.762 3.762 4.165 -0.403 19904 4473 1 7 . 1 1 62 62 GLN C C 62 172.363 172.363 177.670 -5.307 19904 4474 1 7 . 1 1 62 62 GLN CA C 62 59.025 59.025 58.197 0.828 19904 4475 1 7 . 1 1 62 62 GLN CB C 62 27.967 27.967 28.432 -0.465 19904 4476 1 7 . 1 1 62 62 GLN H H 62 7.462 7.462 7.758 -0.296 19904 4477 1 7 . 1 1 63 63 VAL N N 63 113.433 113.433 117.844 -4.411 19904 4478 1 7 . 1 1 63 63 VAL HA H 63 4.147 4.147 3.715 0.432 19904 4479 1 7 . 1 1 63 63 VAL C C 63 176.157 176.157 177.579 -1.422 19904 4480 1 7 . 1 1 63 63 VAL CA C 63 64.982 64.982 64.113 0.869 19904 4481 1 7 . 1 1 63 63 VAL CB C 63 30.895 30.895 31.584 -0.689 19904 4482 1 7 . 1 1 63 63 VAL H H 63 6.895 6.895 7.454 -0.559 19904 4483 1 7 . 1 1 64 64 VAL N N 64 122.958 122.958 120.757 2.201 19904 4484 1 7 . 1 1 64 64 VAL HA H 64 3.307 3.307 3.580 -0.273 19904 4485 1 7 . 1 1 64 64 VAL C C 64 176.891 176.891 177.851 -0.960 19904 4486 1 7 . 1 1 64 64 VAL CA C 64 66.872 66.872 66.669 0.203 19904 4487 1 7 . 1 1 64 64 VAL CB C 64 31.240 31.240 31.537 -0.297 19904 4488 1 7 . 1 1 64 64 VAL H H 64 7.908 7.908 8.209 -0.301 19904 4489 1 7 . 1 1 65 65 ARG N N 65 118.898 118.898 118.910 -0.012 19904 4490 1 7 . 1 1 65 65 ARG HA H 65 3.754 3.754 4.055 -0.301 19904 4491 1 7 . 1 1 65 65 ARG C C 65 175.082 175.082 175.969 -0.887 19904 4492 1 7 . 1 1 65 65 ARG CA C 65 59.710 59.710 58.232 1.478 19904 4493 1 7 . 1 1 65 65 ARG CB C 65 29.819 29.819 29.692 0.127 19904 4494 1 7 . 1 1 65 65 ARG H H 65 8.459 8.459 7.277 1.182 19904 4495 1 7 . 1 1 66 66 ASP N N 66 115.125 115.125 117.416 -2.291 19904 4496 1 7 . 1 1 66 66 ASP HA H 66 4.326 4.326 4.352 -0.026 19904 4497 1 7 . 1 1 66 66 ASP C C 66 174.721 174.721 174.877 -0.156 19904 4498 1 7 . 1 1 66 66 ASP CA C 66 55.771 55.771 54.360 1.411 19904 4499 1 7 . 1 1 66 66 ASP CB C 66 41.983 41.983 40.741 1.242 19904 4500 1 7 . 1 1 66 66 ASP H H 66 7.446 7.446 7.944 -0.498 19904 4501 1 7 . 1 1 67 67 PHE N N 67 111.221 111.221 115.317 -4.096 19904 4502 1 7 . 1 1 67 67 PHE HA H 67 4.691 4.691 4.596 0.095 19904 4503 1 7 . 1 1 67 67 PHE C C 67 174.114 174.114 175.621 -1.507 19904 4504 1 7 . 1 1 67 67 PHE CA C 67 58.940 58.940 57.637 1.303 19904 4505 1 7 . 1 1 67 67 PHE CB C 67 42.781 42.781 40.969 1.812 19904 4506 1 7 . 1 1 67 67 PHE H H 67 8.044 8.044 7.062 0.982 19904 4507 1 7 . 1 1 68 68 SER N N 68 110.726 110.726 117.225 -6.499 19904 4508 1 7 . 1 1 68 68 SER HA H 68 4.313 4.313 4.300 0.013 19904 4509 1 7 . 1 1 68 68 SER C C 68 174.559 174.559 174.751 -0.192 19904 4510 1 7 . 1 1 68 68 SER CA C 68 58.905 58.905 59.805 -0.900 19904 4511 1 7 . 1 1 68 68 SER CB C 68 65.317 65.317 63.450 1.867 19904 4512 1 7 . 1 1 68 68 SER H H 68 8.462 8.462 7.789 0.673 19904 4513 1 7 . 1 1 69 69 GLU N N 69 126.213 126.213 128.649 -2.436 19904 4514 1 7 . 1 1 69 69 GLU HA H 69 4.650 4.650 4.600 0.050 19904 4515 1 7 . 1 1 69 69 GLU C C 69 172.201 172.201 175.327 -3.126 19904 4516 1 7 . 1 1 69 69 GLU CA C 69 55.493 55.493 55.328 0.165 19904 4517 1 7 . 1 1 69 69 GLU CB C 69 29.575 29.575 30.276 -0.702 19904 4518 1 7 . 1 1 69 69 GLU H H 69 9.298 9.298 8.458 0.840 19904 4519 1 7 . 1 1 70 70 CYS N N 70 124.210 124.210 118.566 5.644 19904 4520 1 7 . 1 1 70 70 CYS HA H 70 4.310 4.310 4.916 -0.606 19904 4521 1 7 . 1 1 70 70 CYS C C 70 173.632 173.632 176.761 -3.129 19904 4522 1 7 . 1 1 70 70 CYS CA C 70 58.718 58.718 56.902 1.816 19904 4523 1 7 . 1 1 70 70 CYS CB C 70 30.055 30.055 31.519 -1.464 19904 4524 1 7 . 1 1 70 70 CYS H H 70 7.610 7.610 8.260 -0.650 19904 4525 1 7 . 1 1 71 71 GLY N N 71 118.767 118.767 108.582 10.185 19904 4526 1 7 . 1 1 71 71 GLY C C 71 174.447 174.447 176.113 -1.666 19904 4527 1 7 . 1 1 71 71 GLY CA C 71 47.313 47.313 46.639 0.674 19904 4528 1 7 . 1 1 71 71 GLY H H 71 8.712 8.712 8.705 0.007 19904 4529 1 7 . 1 1 72 72 SER N N 72 123.624 123.624 115.088 8.536 19904 4530 1 7 . 1 1 72 72 SER HA H 72 4.146 4.146 4.336 -0.190 19904 4531 1 7 . 1 1 72 72 SER C C 72 175.737 175.737 175.223 0.514 19904 4532 1 7 . 1 1 72 72 SER CA C 72 61.353 61.353 58.322 3.031 19904 4533 1 7 . 1 1 72 72 SER CB C 72 62.668 62.668 62.399 0.269 19904 4534 1 7 . 1 1 72 72 SER H H 72 10.436 10.436 8.025 2.411 19904 4535 1 7 . 1 1 73 73 ALA N N 73 128.994 128.994 125.360 3.634 19904 4536 1 7 . 1 1 73 73 ALA HA H 73 3.991 3.991 4.076 -0.085 19904 4537 1 7 . 1 1 73 73 ALA C C 73 176.885 176.885 179.389 -2.504 19904 4538 1 7 . 1 1 73 73 ALA CA C 73 55.115 55.115 55.110 0.005 19904 4539 1 7 . 1 1 73 73 ALA CB C 73 18.363 18.363 18.313 0.050 19904 4540 1 7 . 1 1 73 73 ALA H H 73 8.480 8.480 8.109 0.371 19904 4541 1 7 . 1 1 74 74 LYS N N 74 119.815 119.815 118.443 1.372 19904 4542 1 7 . 1 1 74 74 LYS HA H 74 4.146 4.146 4.061 0.085 19904 4543 1 7 . 1 1 74 74 LYS C C 74 173.942 173.942 178.005 -4.063 19904 4544 1 7 . 1 1 74 74 LYS CA C 74 58.981 58.981 58.636 0.344 19904 4545 1 7 . 1 1 74 74 LYS CB C 74 32.424 32.424 32.449 -0.025 19904 4546 1 7 . 1 1 74 74 LYS H H 74 8.043 8.043 7.684 0.359 19904 4547 1 7 . 1 1 75 75 ARG N N 75 118.332 118.332 116.531 1.801 19904 4548 1 7 . 1 1 75 75 ARG HA H 75 4.742 4.742 4.588 0.154 19904 4549 1 7 . 1 1 75 75 ARG C C 75 173.269 173.269 175.255 -1.986 19904 4550 1 7 . 1 1 75 75 ARG CA C 75 54.048 54.048 55.072 -1.024 19904 4551 1 7 . 1 1 75 75 ARG CB C 75 28.796 28.796 29.820 -1.024 19904 4552 1 7 . 1 1 75 75 ARG H H 75 7.536 7.536 7.885 -0.349 19904 4553 1 7 . 1 1 76 76 ASP N N 76 115.890 115.890 117.436 -1.546 19904 4554 1 7 . 1 1 76 76 ASP HA H 76 4.310 4.310 4.263 0.047 19904 4555 1 7 . 1 1 76 76 ASP C C 76 169.530 169.530 175.895 -6.365 19904 4556 1 7 . 1 1 76 76 ASP CA C 76 56.876 56.876 55.357 1.519 19904 4557 1 7 . 1 1 76 76 ASP CB C 76 39.268 39.268 38.259 1.009 19904 4558 1 7 . 1 1 76 76 ASP H H 76 7.601 7.601 8.580 -0.979 19904 4559 1 7 . 1 1 77 77 GLY N N 77 100.656 100.656 104.404 -3.748 19904 4560 1 7 . 1 1 77 77 GLY C C 77 170.735 170.735 173.195 -2.460 19904 4561 1 7 . 1 1 77 77 GLY CA C 77 56.712 56.712 45.925 10.787 19904 4562 1 7 . 1 1 77 77 GLY H H 77 8.218 8.218 8.077 0.141 19904 4563 1 7 . 1 1 78 78 ASP N N 78 118.744 118.744 119.257 -0.513 19904 4564 1 7 . 1 1 78 78 ASP HA H 78 3.085 3.085 4.947 -1.862 19904 4565 1 7 . 1 1 78 78 ASP C C 78 173.696 173.696 175.904 -2.208 19904 4566 1 7 . 1 1 78 78 ASP CA C 78 54.461 54.461 53.889 0.572 19904 4567 1 7 . 1 1 78 78 ASP CB C 78 41.330 41.330 41.678 -0.348 19904 4568 1 7 . 1 1 78 78 ASP H H 78 6.679 6.679 7.510 -0.831 19904 4569 1 7 . 1 1 79 79 LEU N N 79 127.557 127.557 124.615 2.942 19904 4570 1 7 . 1 1 79 79 LEU HA H 79 4.333 4.333 4.670 -0.337 19904 4571 1 7 . 1 1 79 79 LEU C C 79 175.311 175.311 177.471 -2.160 19904 4572 1 7 . 1 1 79 79 LEU CA C 79 54.093 54.093 54.619 -0.526 19904 4573 1 7 . 1 1 79 79 LEU CB C 79 41.896 41.896 42.338 -0.442 19904 4574 1 7 . 1 1 79 79 LEU H H 79 8.837 8.837 8.262 0.575 19904 4575 1 7 . 1 1 80 80 GLY N N 80 109.745 109.745 110.450 -0.705 19904 4576 1 7 . 1 1 80 80 GLY C C 80 169.506 169.506 173.821 -4.315 19904 4577 1 7 . 1 1 80 80 GLY CA C 80 44.467 44.467 43.851 0.616 19904 4578 1 7 . 1 1 80 80 GLY H H 80 8.744 8.744 8.351 0.393 19904 4579 1 7 . 1 1 81 81 MET N N 81 118.177 118.177 118.778 -0.601 19904 4580 1 7 . 1 1 81 81 MET HA H 81 4.560 4.560 4.242 0.318 19904 4581 1 7 . 1 1 81 81 MET C C 81 173.929 173.929 176.097 -2.168 19904 4582 1 7 . 1 1 81 81 MET CA C 81 53.095 53.095 56.188 -3.093 19904 4583 1 7 . 1 1 81 81 MET CB C 81 29.720 29.720 31.679 -1.959 19904 4584 1 7 . 1 1 81 81 MET H H 81 7.894 7.894 8.001 -0.107 19904 4585 1 7 . 1 1 82 82 VAL N N 82 129.209 129.209 119.701 9.508 19904 4586 1 7 . 1 1 82 82 VAL HA H 82 4.257 4.257 4.637 -0.380 19904 4587 1 7 . 1 1 82 82 VAL C C 82 172.520 172.520 174.825 -2.305 19904 4588 1 7 . 1 1 82 82 VAL CA C 82 61.786 61.786 59.822 1.964 19904 4589 1 7 . 1 1 82 82 VAL CB C 82 33.979 33.979 33.498 0.481 19904 4590 1 7 . 1 1 82 82 VAL H H 82 9.085 9.085 8.557 0.528 19904 4591 1 7 . 1 1 83 83 GLU N N 83 125.940 125.940 124.021 1.919 19904 4592 1 7 . 1 1 83 83 GLU HA H 83 4.949 4.949 5.013 -0.064 19904 4593 1 7 . 1 1 83 83 GLU C C 83 175.328 175.328 176.043 -0.715 19904 4594 1 7 . 1 1 83 83 GLU CA C 83 54.236 54.236 54.449 -0.213 19904 4595 1 7 . 1 1 83 83 GLU CB C 83 31.344 31.344 33.166 -1.822 19904 4596 1 7 . 1 1 83 83 GLU H H 83 8.608 8.608 8.487 0.121 19904 4597 1 7 . 1 1 84 84 SER N N 84 121.587 121.587 120.812 0.775 19904 4598 1 7 . 1 1 84 84 SER HA H 84 4.009 4.009 3.608 0.401 19904 4599 1 7 . 1 1 84 84 SER C C 84 172.341 172.341 174.934 -2.593 19904 4600 1 7 . 1 1 84 84 SER CA C 84 59.451 59.451 60.077 -0.626 19904 4601 1 7 . 1 1 84 84 SER CB C 84 62.340 62.340 62.749 -0.409 19904 4602 1 7 . 1 1 84 84 SER H H 84 8.737 8.737 8.274 0.463 19904 4603 1 7 . 1 1 85 85 GLY N N 85 114.678 114.678 115.278 -0.600 19904 4604 1 7 . 1 1 85 85 GLY C C 85 172.501 172.501 175.346 -2.845 19904 4605 1 7 . 1 1 85 85 GLY CA C 85 45.190 45.190 45.446 -0.256 19904 4606 1 7 . 1 1 85 85 GLY H H 85 10.247 10.247 8.503 1.744 19904 4607 1 7 . 1 1 86 86 THR N N 86 117.468 117.468 115.475 1.993 19904 4608 1 7 . 1 1 86 86 THR HA H 86 4.026 4.026 4.104 -0.078 19904 4609 1 7 . 1 1 86 86 THR C C 86 172.415 172.415 175.708 -3.293 19904 4610 1 7 . 1 1 86 86 THR CA C 86 64.666 64.666 64.254 0.412 19904 4611 1 7 . 1 1 86 86 THR CB C 86 69.421 69.421 69.315 0.106 19904 4612 1 7 . 1 1 86 86 THR H H 86 8.398 8.398 8.112 0.286 19904 4613 1 7 . 1 1 87 87 TYR N N 87 123.120 123.120 121.541 1.579 19904 4614 1 7 . 1 1 87 87 TYR HA H 87 4.355 4.355 4.289 0.066 19904 4615 1 7 . 1 1 87 87 TYR C C 87 172.035 172.035 175.819 -3.784 19904 4616 1 7 . 1 1 87 87 TYR CA C 87 57.361 57.361 58.514 -1.153 19904 4617 1 7 . 1 1 87 87 TYR CB C 87 38.651 38.651 38.877 -0.226 19904 4618 1 7 . 1 1 87 87 TYR H H 87 8.869 8.869 8.316 0.553 19904 4619 1 7 . 1 1 88 88 THR N N 88 109.212 109.212 112.359 -3.147 19904 4620 1 7 . 1 1 88 88 THR HA H 88 4.304 4.304 4.368 -0.064 19904 4621 1 7 . 1 1 88 88 THR C C 88 172.134 172.134 174.690 -2.556 19904 4622 1 7 . 1 1 88 88 THR CA C 88 61.468 61.468 61.252 0.216 19904 4623 1 7 . 1 1 88 88 THR CB C 88 70.553 70.553 69.909 0.644 19904 4624 1 7 . 1 1 88 88 THR H H 88 7.339 7.339 8.097 -0.758 19904 4625 1 7 . 1 1 89 89 GLU N N 89 122.460 122.460 122.317 0.143 19904 4626 1 7 . 1 1 89 89 GLU HA H 89 4.058 4.058 3.851 0.207 19904 4627 1 7 . 1 1 89 89 GLU C C 89 175.844 175.844 177.651 -1.807 19904 4628 1 7 . 1 1 89 89 GLU CA C 89 59.853 59.853 58.513 1.341 19904 4629 1 7 . 1 1 89 89 GLU CB C 89 29.322 29.322 29.840 -0.518 19904 4630 1 7 . 1 1 89 89 GLU H H 89 8.819 8.819 8.539 0.281 19904 4631 1 7 . 1 1 90 90 GLY N N 90 107.861 107.861 113.471 -5.610 19904 4632 1 7 . 1 1 90 90 GLY C C 90 172.835 172.835 174.425 -1.590 19904 4633 1 7 . 1 1 90 90 GLY CA C 90 46.411 46.411 45.410 1.001 19904 4634 1 7 . 1 1 90 90 GLY H H 90 8.734 8.734 9.084 -0.350 19904 4635 1 7 . 1 1 91 91 PHE N N 91 120.792 120.792 122.429 -1.637 19904 4636 1 7 . 1 1 91 91 PHE HA H 91 3.691 3.691 4.465 -0.774 19904 4637 1 7 . 1 1 91 91 PHE C C 91 173.756 173.756 175.386 -1.630 19904 4638 1 7 . 1 1 91 91 PHE CA C 91 60.625 60.625 60.484 0.141 19904 4639 1 7 . 1 1 91 91 PHE CB C 91 39.869 39.869 40.242 -0.374 19904 4640 1 7 . 1 1 91 91 PHE H H 91 7.392 7.392 7.686 -0.294 19904 4641 1 7 . 1 1 92 92 ASP N N 92 119.990 119.990 118.085 1.905 19904 4642 1 7 . 1 1 92 92 ASP HA H 92 4.473 4.473 4.700 -0.227 19904 4643 1 7 . 1 1 92 92 ASP C C 92 176.108 176.108 178.418 -2.310 19904 4644 1 7 . 1 1 92 92 ASP CA C 92 57.792 57.792 57.394 0.398 19904 4645 1 7 . 1 1 92 92 ASP CB C 92 40.222 40.222 40.483 -0.261 19904 4646 1 7 . 1 1 92 92 ASP H H 92 8.339 8.339 8.242 0.097 19904 4647 1 7 . 1 1 93 93 THR N N 93 114.592 114.592 113.249 1.343 19904 4648 1 7 . 1 1 93 93 THR HA H 93 3.807 3.807 4.173 -0.366 19904 4649 1 7 . 1 1 93 93 THR C C 93 173.478 173.478 175.454 -1.976 19904 4650 1 7 . 1 1 93 93 THR CA C 93 66.000 66.000 64.786 1.214 19904 4651 1 7 . 1 1 93 93 THR CB C 93 68.763 68.763 68.454 0.309 19904 4652 1 7 . 1 1 93 93 THR H H 93 8.609 8.609 8.285 0.324 19904 4653 1 7 . 1 1 94 94 VAL N N 94 118.669 118.669 121.287 -2.618 19904 4654 1 7 . 1 1 94 94 VAL HA H 94 3.688 3.688 3.973 -0.285 19904 4655 1 7 . 1 1 94 94 VAL C C 94 176.137 176.137 177.078 -0.941 19904 4656 1 7 . 1 1 94 94 VAL CA C 94 64.692 64.692 65.240 -0.548 19904 4657 1 7 . 1 1 94 94 VAL CB C 94 32.207 32.207 31.684 0.523 19904 4658 1 7 . 1 1 94 94 VAL H H 94 6.772 6.772 7.316 -0.544 19904 4659 1 7 . 1 1 95 95 ALA N N 95 123.356 123.356 122.362 0.994 19904 4660 1 7 . 1 1 95 95 ALA HA H 95 3.128 3.128 3.764 -0.636 19904 4661 1 7 . 1 1 95 95 ALA C C 95 177.254 177.254 177.896 -0.642 19904 4662 1 7 . 1 1 95 95 ALA CA C 95 55.202 55.202 54.611 0.591 19904 4663 1 7 . 1 1 95 95 ALA CB C 95 17.905 17.905 18.204 -0.299 19904 4664 1 7 . 1 1 95 95 ALA H H 95 8.890 8.890 8.065 0.825 19904 4665 1 7 . 1 1 96 96 PHE N N 96 111.667 111.667 112.937 -1.270 19904 4666 1 7 . 1 1 96 96 PHE HA H 96 4.170 4.170 4.591 -0.421 19904 4667 1 7 . 1 1 96 96 PHE C C 96 171.898 171.898 176.478 -4.580 19904 4668 1 7 . 1 1 96 96 PHE CA C 96 61.633 61.633 58.841 2.792 19904 4669 1 7 . 1 1 96 96 PHE CB C 96 36.448 36.448 39.093 -2.645 19904 4670 1 7 . 1 1 96 96 PHE H H 96 8.431 8.431 7.799 0.632 19904 4671 1 7 . 1 1 97 97 SER N N 97 113.144 113.144 114.957 -1.813 19904 4672 1 7 . 1 1 97 97 SER HA H 97 4.635 4.635 4.525 0.110 19904 4673 1 7 . 1 1 97 97 SER C C 97 172.020 172.020 175.037 -3.017 19904 4674 1 7 . 1 1 97 97 SER CA C 97 58.521 58.521 59.523 -1.002 19904 4675 1 7 . 1 1 97 97 SER CB C 97 64.820 64.820 64.252 0.568 19904 4676 1 7 . 1 1 97 97 SER H H 97 7.348 7.348 7.718 -0.370 19904 4677 1 7 . 1 1 98 98 LEU N N 98 121.390 121.390 121.672 -0.282 19904 4678 1 7 . 1 1 98 98 LEU HA H 98 4.131 4.131 4.165 -0.034 19904 4679 1 7 . 1 1 98 98 LEU C C 98 175.754 175.754 176.666 -0.912 19904 4680 1 7 . 1 1 98 98 LEU CA C 98 55.059 55.059 55.348 -0.289 19904 4681 1 7 . 1 1 98 98 LEU CB C 98 42.757 42.757 41.773 0.984 19904 4682 1 7 . 1 1 98 98 LEU H H 98 6.790 6.790 7.876 -1.086 19904 4683 1 7 . 1 1 99 99 LYS N N 99 124.409 124.409 119.002 5.407 19904 4684 1 7 . 1 1 99 99 LYS HA H 99 4.245 4.245 4.306 -0.061 19904 4685 1 7 . 1 1 99 99 LYS C C 99 173.517 173.517 176.402 -2.885 19904 4686 1 7 . 1 1 99 99 LYS CA C 99 55.439 55.439 55.408 0.030 19904 4687 1 7 . 1 1 99 99 LYS CB C 99 32.792 32.792 33.491 -0.699 19904 4688 1 7 . 1 1 99 99 LYS H H 99 9.086 9.086 8.396 0.690 19904 4689 1 7 . 1 1 100 100 SER N N 100 115.642 115.642 115.573 0.069 19904 4690 1 7 . 1 1 100 100 SER HA H 100 3.294 3.294 4.115 -0.821 19904 4691 1 7 . 1 1 100 100 SER C C 100 172.722 172.722 175.777 -3.055 19904 4692 1 7 . 1 1 100 100 SER CA C 100 60.816 60.816 60.221 0.596 19904 4693 1 7 . 1 1 100 100 SER CB C 100 62.342 62.342 63.113 -0.771 19904 4694 1 7 . 1 1 100 100 SER H H 100 8.469 8.469 8.300 0.169 19904 4695 1 7 . 1 1 101 101 GLY N N 101 114.871 114.871 113.796 1.075 19904 4696 1 7 . 1 1 101 101 GLY C C 101 169.465 169.465 173.259 -3.794 19904 4697 1 7 . 1 1 101 101 GLY CA C 101 45.415 45.415 45.593 -0.178 19904 4698 1 7 . 1 1 101 101 GLY H H 101 8.486 8.486 8.737 -0.251 19904 4699 1 7 . 1 1 102 102 GLU N N 102 119.387 119.387 117.838 1.549 19904 4700 1 7 . 1 1 102 102 GLU HA H 102 4.742 4.742 4.911 -0.169 19904 4701 1 7 . 1 1 102 102 GLU C C 102 171.675 171.675 174.563 -2.888 19904 4702 1 7 . 1 1 102 102 GLU CA C 102 55.276 55.276 54.731 0.545 19904 4703 1 7 . 1 1 102 102 GLU CB C 102 32.307 32.307 33.700 -1.393 19904 4704 1 7 . 1 1 102 102 GLU H H 102 7.594 7.594 7.479 0.115 19904 4705 1 7 . 1 1 103 103 VAL N N 103 119.700 119.700 117.489 2.211 19904 4706 1 7 . 1 1 103 103 VAL HA H 103 4.836 4.836 4.783 0.053 19904 4707 1 7 . 1 1 103 103 VAL C C 103 173.611 173.611 175.771 -2.160 19904 4708 1 7 . 1 1 103 103 VAL CA C 103 58.953 58.953 59.537 -0.584 19904 4709 1 7 . 1 1 103 103 VAL CB C 103 33.653 33.653 32.787 0.866 19904 4710 1 7 . 1 1 103 103 VAL H H 103 7.884 7.884 8.428 -0.544 19904 4711 1 7 . 1 1 104 104 SER N N 104 123.705 123.705 120.206 3.499 19904 4712 1 7 . 1 1 104 104 SER HA H 104 4.045 4.045 4.496 -0.451 19904 4713 1 7 . 1 1 104 104 SER C C 104 170.420 170.420 174.738 -4.318 19904 4714 1 7 . 1 1 104 104 SER CA C 104 58.515 58.515 57.192 1.323 19904 4715 1 7 . 1 1 104 104 SER CB C 104 66.400 66.400 63.973 2.427 19904 4716 1 7 . 1 1 104 104 SER H H 104 9.056 9.056 8.584 0.472 19904 4717 1 7 . 1 1 105 105 ALA N N 105 117.355 117.355 122.653 -5.298 19904 4718 1 7 . 1 1 105 105 ALA HA H 105 4.395 4.395 4.347 0.048 19904 4719 1 7 . 1 1 105 105 ALA C C 105 172.593 172.593 176.331 -3.738 19904 4720 1 7 . 1 1 105 105 ALA CA C 105 51.112 51.112 51.239 -0.127 19904 4721 1 7 . 1 1 105 105 ALA CB C 105 16.566 16.566 17.918 -1.352 19904 4722 1 7 . 1 1 105 105 ALA H H 105 7.269 7.269 8.312 -1.043 19904 4723 1 7 . 1 1 106 106 PRO HA H 106 4.684 4.684 4.329 0.355 19904 4724 1 7 . 1 1 106 106 PRO C C 106 174.527 174.527 175.647 -1.120 19904 4725 1 7 . 1 1 106 106 PRO CA C 106 63.191 63.191 62.595 0.596 19904 4726 1 7 . 1 1 106 106 PRO CB C 106 30.197 30.197 30.698 -0.500 19904 4727 1 7 . 1 1 107 107 VAL N N 107 124.996 124.996 124.879 0.117 19904 4728 1 7 . 1 1 107 107 VAL HA H 107 4.410 4.410 4.039 0.371 19904 4729 1 7 . 1 1 107 107 VAL C C 107 171.642 171.642 175.635 -3.993 19904 4730 1 7 . 1 1 107 107 VAL CA C 107 60.030 60.030 63.088 -3.058 19904 4731 1 7 . 1 1 107 107 VAL CB C 107 34.707 34.707 32.517 2.190 19904 4732 1 7 . 1 1 107 107 VAL H H 107 8.969 8.969 7.974 0.995 19904 4733 1 7 . 1 1 108 108 GLU N N 108 128.257 128.257 126.407 1.850 19904 4734 1 7 . 1 1 108 108 GLU HA H 108 5.188 5.188 5.149 0.039 19904 4735 1 7 . 1 1 108 108 GLU C C 108 173.786 173.786 175.953 -2.167 19904 4736 1 7 . 1 1 108 108 GLU CA C 108 56.033 56.033 55.331 0.702 19904 4737 1 7 . 1 1 108 108 GLU CB C 108 31.648 31.648 33.255 -1.607 19904 4738 1 7 . 1 1 108 108 GLU H H 108 8.971 8.971 8.738 0.233 19904 4739 1 7 . 1 1 109 109 THR N N 109 115.774 115.774 119.076 -3.302 19904 4740 1 7 . 1 1 109 109 THR HA H 109 4.828 4.828 4.762 0.066 19904 4741 1 7 . 1 1 109 109 THR C C 109 173.458 173.458 174.181 -0.723 19904 4742 1 7 . 1 1 109 109 THR CA C 109 61.175 61.175 60.871 0.304 19904 4743 1 7 . 1 1 109 109 THR CB C 109 72.651 72.651 71.039 1.612 19904 4744 1 7 . 1 1 109 109 THR H H 109 9.378 9.378 8.811 0.567 19904 4745 1 7 . 1 1 110 110 GLU N N 110 118.681 118.681 120.723 -2.042 19904 4746 1 7 . 1 1 110 110 GLU HA H 110 4.354 4.354 4.102 0.252 19904 4747 1 7 . 1 1 110 110 GLU C C 110 174.619 174.619 176.687 -2.068 19904 4748 1 7 . 1 1 110 110 GLU CA C 110 58.130 58.130 58.960 -0.830 19904 4749 1 7 . 1 1 110 110 GLU CB C 110 28.500 28.500 29.681 -1.181 19904 4750 1 7 . 1 1 110 110 GLU H H 110 9.445 9.445 8.851 0.594 19904 4751 1 7 . 1 1 111 111 LEU N N 111 118.396 118.396 116.577 1.819 19904 4752 1 7 . 1 1 111 111 LEU HA H 111 4.235 4.235 4.412 -0.177 19904 4753 1 7 . 1 1 111 111 LEU C C 111 173.650 173.650 176.592 -2.942 19904 4754 1 7 . 1 1 111 111 LEU CA C 111 55.074 55.074 56.069 -0.995 19904 4755 1 7 . 1 1 111 111 LEU CB C 111 41.376 41.376 42.811 -1.435 19904 4756 1 7 . 1 1 111 111 LEU H H 111 8.849 8.849 7.984 0.865 19904 4757 1 7 . 1 1 112 112 GLY N N 112 103.523 103.523 101.122 2.401 19904 4758 1 7 . 1 1 112 112 GLY C C 112 166.641 166.641 172.282 -5.641 19904 4759 1 7 . 1 1 112 112 GLY CA C 112 43.820 43.820 44.963 -1.143 19904 4760 1 7 . 1 1 112 112 GLY H H 112 7.437 7.437 7.623 -0.186 19904 4761 1 7 . 1 1 113 113 VAL N N 113 121.766 121.766 121.922 -0.156 19904 4762 1 7 . 1 1 113 113 VAL HA H 113 4.636 4.636 4.934 -0.298 19904 4763 1 7 . 1 1 113 113 VAL C C 113 171.516 171.516 175.571 -4.055 19904 4764 1 7 . 1 1 113 113 VAL CA C 113 61.125 61.125 61.459 -0.334 19904 4765 1 7 . 1 1 113 113 VAL CB C 113 32.510 32.510 31.710 0.800 19904 4766 1 7 . 1 1 113 113 VAL H H 113 8.870 8.870 7.853 1.017 19904 4767 1 7 . 1 1 114 114 HIS N N 114 125.383 125.383 127.345 -1.962 19904 4768 1 7 . 1 1 114 114 HIS HA H 114 5.669 5.669 5.622 0.047 19904 4769 1 7 . 1 1 114 114 HIS C C 114 174.524 174.524 173.872 0.652 19904 4770 1 7 . 1 1 114 114 HIS CA C 114 53.960 53.960 54.301 -0.341 19904 4771 1 7 . 1 1 114 114 HIS CB C 114 30.978 30.978 33.426 -2.448 19904 4772 1 7 . 1 1 114 114 HIS H H 114 9.850 9.850 9.346 0.504 19904 4773 1 7 . 1 1 115 115 LEU N N 115 117.609 117.609 123.133 -5.524 19904 4774 1 7 . 1 1 115 115 LEU HA H 115 4.330 4.330 4.654 -0.324 19904 4775 1 7 . 1 1 115 115 LEU C C 115 172.779 172.779 175.075 -2.296 19904 4776 1 7 . 1 1 115 115 LEU CA C 115 54.545 54.545 54.554 -0.010 19904 4777 1 7 . 1 1 115 115 LEU CB C 115 43.651 43.651 44.358 -0.706 19904 4778 1 7 . 1 1 115 115 LEU H H 115 8.459 8.459 8.318 0.141 19904 4779 1 7 . 1 1 116 116 ILE N N 116 124.233 124.233 124.922 -0.689 19904 4780 1 7 . 1 1 116 116 ILE HA H 116 4.391 4.391 4.830 -0.440 19904 4781 1 7 . 1 1 116 116 ILE C C 116 169.528 169.528 174.152 -4.624 19904 4782 1 7 . 1 1 116 116 ILE CA C 116 60.408 60.408 59.239 1.169 19904 4783 1 7 . 1 1 116 116 ILE CB C 116 40.360 40.360 39.499 0.861 19904 4784 1 7 . 1 1 116 116 ILE H H 116 8.597 8.597 7.987 0.610 19904 4785 1 7 . 1 1 117 117 TYR N N 117 126.661 126.661 121.512 5.149 19904 4786 1 7 . 1 1 117 117 TYR HA H 117 5.020 5.020 4.942 0.078 19904 4787 1 7 . 1 1 117 117 TYR C C 117 171.915 171.915 172.621 -0.706 19904 4788 1 7 . 1 1 117 117 TYR CA C 117 54.073 54.073 55.475 -1.402 19904 4789 1 7 . 1 1 117 117 TYR CB C 117 40.842 40.842 41.146 -0.304 19904 4790 1 7 . 1 1 117 117 TYR H H 117 8.646 8.646 7.648 0.998 19904 4791 1 7 . 1 1 118 118 ARG N N 118 126.514 126.514 123.842 2.672 19904 4792 1 7 . 1 1 118 118 ARG HA H 118 4.686 4.686 4.365 0.321 19904 4793 1 7 . 1 1 118 118 ARG C C 118 171.048 171.048 174.085 -3.037 19904 4794 1 7 . 1 1 118 118 ARG CA C 118 54.269 54.269 55.077 -0.808 19904 4795 1 7 . 1 1 118 118 ARG CB C 118 30.628 30.628 31.096 -0.468 19904 4796 1 7 . 1 1 118 118 ARG H H 118 7.162 7.162 7.998 -0.836 19904 4797 1 7 . 1 1 119 119 VAL N N 119 124.856 124.856 124.313 0.543 19904 4798 1 7 . 1 1 119 119 VAL HA H 119 3.446 3.446 4.126 -0.680 19904 4799 1 7 . 1 1 119 119 VAL C C 119 171.576 171.576 175.007 -3.431 19904 4800 1 7 . 1 1 119 119 VAL CA C 119 62.315 62.315 59.261 3.054 19904 4801 1 7 . 1 1 119 119 VAL CB C 119 32.676 32.676 35.978 -3.302 19904 4802 1 7 . 1 1 119 119 VAL H H 119 7.418 7.418 8.013 -0.595 19904 4803 1 8 . 1 1 2 2 THR N N 2 114.985 114.985 113.529 1.456 19904 4804 1 8 . 1 1 2 2 THR HA H 2 4.233 4.233 4.609 -0.376 19904 4805 1 8 . 1 1 2 2 THR C C 2 170.697 170.697 172.957 -2.260 19904 4806 1 8 . 1 1 2 2 THR CA C 2 61.775 61.775 61.312 0.463 19904 4807 1 8 . 1 1 2 2 THR CB C 2 69.429 69.429 71.332 -1.903 19904 4808 1 8 . 1 1 2 2 THR H H 2 8.140 8.140 8.149 -0.009 19904 4809 1 8 . 1 1 3 3 GLU N N 3 121.736 121.736 121.262 0.474 19904 4810 1 8 . 1 1 3 3 GLU HA H 3 5.206 5.206 5.204 0.002 19904 4811 1 8 . 1 1 3 3 GLU C C 3 173.028 173.028 175.747 -2.719 19904 4812 1 8 . 1 1 3 3 GLU CA C 3 54.900 54.900 55.128 -0.228 19904 4813 1 8 . 1 1 3 3 GLU CB C 3 31.659 31.659 31.387 0.272 19904 4814 1 8 . 1 1 3 3 GLU H H 3 8.108 8.108 8.591 -0.483 19904 4815 1 8 . 1 1 4 4 ARG N N 4 120.713 120.713 123.081 -2.368 19904 4816 1 8 . 1 1 4 4 ARG HA H 4 4.360 4.360 4.548 -0.188 19904 4817 1 8 . 1 1 4 4 ARG C C 4 170.103 170.103 173.771 -3.668 19904 4818 1 8 . 1 1 4 4 ARG CA C 4 53.816 53.816 53.740 0.076 19904 4819 1 8 . 1 1 4 4 ARG CB C 4 35.162 35.162 33.384 1.778 19904 4820 1 8 . 1 1 4 4 ARG H H 4 8.309 8.309 8.809 -0.500 19904 4821 1 8 . 1 1 5 5 HIS N N 5 121.423 121.423 116.222 5.201 19904 4822 1 8 . 1 1 5 5 HIS HA H 5 5.197 5.197 4.578 0.619 19904 4823 1 8 . 1 1 5 5 HIS C C 5 170.917 170.917 173.134 -2.217 19904 4824 1 8 . 1 1 5 5 HIS CA C 5 52.151 52.151 54.225 -2.074 19904 4825 1 8 . 1 1 5 5 HIS CB C 5 29.920 29.920 30.459 -0.539 19904 4826 1 8 . 1 1 5 5 HIS H H 5 8.591 8.591 7.751 0.840 19904 4827 1 8 . 1 1 6 6 PHE N N 6 122.961 122.961 118.788 4.173 19904 4828 1 8 . 1 1 6 6 PHE HA H 6 6.042 6.042 4.437 1.605 19904 4829 1 8 . 1 1 6 6 PHE C C 6 171.599 171.599 172.986 -1.387 19904 4830 1 8 . 1 1 6 6 PHE CA C 6 55.284 55.284 54.698 0.586 19904 4831 1 8 . 1 1 6 6 PHE CB C 6 43.276 43.276 39.841 3.435 19904 4832 1 8 . 1 1 6 6 PHE H H 6 7.523 7.523 7.793 -0.270 19904 4833 1 8 . 1 1 7 7 TYR N N 7 119.822 119.822 116.989 2.833 19904 4834 1 8 . 1 1 7 7 TYR HA H 7 5.692 5.692 5.161 0.531 19904 4835 1 8 . 1 1 7 7 TYR C C 7 173.785 173.785 174.586 -0.801 19904 4836 1 8 . 1 1 7 7 TYR CA C 7 55.865 55.865 56.609 -0.744 19904 4837 1 8 . 1 1 7 7 TYR CB C 7 44.067 44.067 41.258 2.809 19904 4838 1 8 . 1 1 7 7 TYR H H 7 9.313 9.313 8.075 1.238 19904 4839 1 8 . 1 1 8 8 HIS N N 8 114.648 114.648 115.999 -1.351 19904 4840 1 8 . 1 1 8 8 HIS HA H 8 6.178 6.178 5.889 0.289 19904 4841 1 8 . 1 1 8 8 HIS C C 8 170.959 170.959 173.932 -2.973 19904 4842 1 8 . 1 1 8 8 HIS CA C 8 54.875 54.875 53.349 1.526 19904 4843 1 8 . 1 1 8 8 HIS CB C 8 36.453 36.453 34.175 2.278 19904 4844 1 8 . 1 1 8 8 HIS H H 8 9.369 9.369 8.614 0.755 19904 4845 1 8 . 1 1 9 9 VAL N N 9 120.650 120.650 119.013 1.637 19904 4846 1 8 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.980 -0.419 19904 4847 1 8 . 1 1 9 9 VAL C C 9 170.078 170.078 173.963 -3.885 19904 4848 1 8 . 1 1 9 9 VAL CA C 9 61.367 61.367 61.272 0.095 19904 4849 1 8 . 1 1 9 9 VAL CB C 9 34.926 34.926 33.365 1.561 19904 4850 1 8 . 1 1 9 9 VAL H H 9 8.936 8.936 8.222 0.714 19904 4851 1 8 . 1 1 10 10 LEU N N 10 125.870 125.870 129.840 -3.970 19904 4852 1 8 . 1 1 10 10 LEU HA H 10 4.614 4.614 4.740 -0.126 19904 4853 1 8 . 1 1 10 10 LEU C C 10 171.186 171.186 174.716 -3.530 19904 4854 1 8 . 1 1 10 10 LEU CA C 10 52.217 52.217 53.615 -1.398 19904 4855 1 8 . 1 1 10 10 LEU CB C 10 46.523 46.523 43.371 3.152 19904 4856 1 8 . 1 1 10 10 LEU H H 10 7.452 7.452 8.663 -1.211 19904 4857 1 8 . 1 1 11 11 VAL N N 11 128.355 128.355 125.766 2.589 19904 4858 1 8 . 1 1 11 11 VAL HA H 11 4.086 4.086 4.499 -0.413 19904 4859 1 8 . 1 1 11 11 VAL C C 11 173.155 173.155 173.815 -0.660 19904 4860 1 8 . 1 1 11 11 VAL CA C 11 61.124 61.124 60.848 0.276 19904 4861 1 8 . 1 1 11 11 VAL CB C 11 32.522 32.522 32.964 -0.442 19904 4862 1 8 . 1 1 11 11 VAL H H 11 9.422 9.422 8.403 1.019 19904 4863 1 8 . 1 1 12 12 LYS N N 12 123.610 123.610 129.678 -6.068 19904 4864 1 8 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.504 -0.289 19904 4865 1 8 . 1 1 12 12 LYS C C 12 170.645 170.645 175.118 -4.473 19904 4866 1 8 . 1 1 12 12 LYS CA C 12 56.259 56.259 56.079 0.180 19904 4867 1 8 . 1 1 12 12 LYS CB C 12 34.702 34.702 34.025 0.677 19904 4868 1 8 . 1 1 12 12 LYS H H 12 9.071 9.071 8.689 0.382 19904 4869 1 8 . 1 1 13 13 HIS N N 13 110.414 110.414 114.583 -4.169 19904 4870 1 8 . 1 1 13 13 HIS HA H 13 4.396 4.396 4.711 -0.315 19904 4871 1 8 . 1 1 13 13 HIS C C 13 172.651 172.651 174.548 -1.897 19904 4872 1 8 . 1 1 13 13 HIS CA C 13 54.368 54.368 55.357 -0.989 19904 4873 1 8 . 1 1 13 13 HIS CB C 13 33.731 33.731 32.082 1.649 19904 4874 1 8 . 1 1 13 13 HIS H H 13 6.186 6.186 7.985 -1.799 19904 4875 1 8 . 1 1 14 14 LYS N N 14 115.373 115.373 121.571 -6.198 19904 4876 1 8 . 1 1 14 14 LYS HA H 14 4.074 4.074 4.027 0.047 19904 4877 1 8 . 1 1 14 14 LYS C C 14 172.860 172.860 176.748 -3.888 19904 4878 1 8 . 1 1 14 14 LYS CA C 14 58.131 58.131 56.521 1.610 19904 4879 1 8 . 1 1 14 14 LYS CB C 14 32.074 32.074 31.855 0.219 19904 4880 1 8 . 1 1 14 14 LYS H H 14 9.074 9.074 8.197 0.877 19904 4881 1 8 . 1 1 15 15 ASP N N 15 119.786 119.786 118.150 1.636 19904 4882 1 8 . 1 1 15 15 ASP HA H 15 5.117 5.117 4.522 0.595 19904 4883 1 8 . 1 1 15 15 ASP C C 15 173.969 173.969 176.918 -2.949 19904 4884 1 8 . 1 1 15 15 ASP CA C 15 54.644 54.644 54.196 0.448 19904 4885 1 8 . 1 1 15 15 ASP CB C 15 41.772 41.772 41.438 0.334 19904 4886 1 8 . 1 1 15 15 ASP H H 15 8.951 8.951 7.163 1.788 19904 4887 1 8 . 1 1 16 16 VAL N N 16 113.297 113.297 116.927 -3.630 19904 4888 1 8 . 1 1 16 16 VAL HA H 16 4.353 4.353 4.104 0.249 19904 4889 1 8 . 1 1 16 16 VAL C C 16 172.635 172.635 175.943 -3.308 19904 4890 1 8 . 1 1 16 16 VAL CA C 16 60.510 60.510 61.255 -0.745 19904 4891 1 8 . 1 1 16 16 VAL CB C 16 31.450 31.450 32.403 -0.953 19904 4892 1 8 . 1 1 16 16 VAL H H 16 6.826 6.826 7.360 -0.534 19904 4893 1 8 . 1 1 17 17 ARG N N 17 119.898 119.898 120.442 -0.544 19904 4894 1 8 . 1 1 17 17 ARG HA H 17 3.990 3.990 4.137 -0.147 19904 4895 1 8 . 1 1 17 17 ARG C C 17 174.690 174.690 176.463 -1.773 19904 4896 1 8 . 1 1 17 17 ARG CA C 17 58.501 58.501 57.942 0.559 19904 4897 1 8 . 1 1 17 17 ARG CB C 17 29.664 29.664 30.618 -0.954 19904 4898 1 8 . 1 1 17 17 ARG H H 17 8.305 8.305 8.523 -0.218 19904 4899 1 8 . 1 1 18 18 ARG N N 18 116.580 116.580 115.973 0.607 19904 4900 1 8 . 1 1 18 18 ARG HA H 18 4.643 4.643 4.707 -0.064 19904 4901 1 8 . 1 1 18 18 ARG C C 18 171.330 171.330 174.318 -2.988 19904 4902 1 8 . 1 1 18 18 ARG CA C 18 53.059 53.059 53.661 -0.602 19904 4903 1 8 . 1 1 18 18 ARG CB C 18 29.538 29.538 29.226 0.312 19904 4904 1 8 . 1 1 18 18 ARG H H 18 8.304 8.304 8.348 -0.044 19904 4905 1 8 . 1 1 19 19 PRO HA H 19 4.177 4.177 4.402 -0.225 19904 4906 1 8 . 1 1 19 19 PRO C C 19 171.575 171.575 176.828 -5.253 19904 4907 1 8 . 1 1 19 19 PRO CA C 19 62.693 62.693 63.818 -1.125 19904 4908 1 8 . 1 1 19 19 PRO CB C 19 27.756 27.756 32.218 -4.462 19904 4909 1 8 . 1 1 20 20 SER N N 20 119.112 119.112 113.716 5.396 19904 4910 1 8 . 1 1 20 20 SER HA H 20 5.172 5.172 4.523 0.649 19904 4911 1 8 . 1 1 20 20 SER C C 20 171.036 171.036 174.575 -3.539 19904 4912 1 8 . 1 1 20 20 SER CA C 20 56.630 56.630 57.164 -0.534 19904 4913 1 8 . 1 1 20 20 SER CB C 20 65.310 65.310 64.350 0.960 19904 4914 1 8 . 1 1 20 20 SER H H 20 8.587 8.587 7.967 0.620 19904 4915 1 8 . 1 1 21 21 SER N N 21 116.758 116.758 118.663 -1.905 19904 4916 1 8 . 1 1 21 21 SER HA H 21 4.448 4.448 4.566 -0.118 19904 4917 1 8 . 1 1 21 21 SER C C 21 173.204 173.204 173.285 -0.081 19904 4918 1 8 . 1 1 21 21 SER CA C 21 57.984 57.984 57.856 0.128 19904 4919 1 8 . 1 1 21 21 SER CB C 21 63.579 63.579 63.258 0.320 19904 4920 1 8 . 1 1 21 21 SER H H 21 9.000 9.000 8.411 0.589 19904 4921 1 8 . 1 1 22 22 LEU N N 22 129.332 129.332 126.693 2.639 19904 4922 1 8 . 1 1 22 22 LEU HA H 22 4.560 4.560 4.450 0.110 19904 4923 1 8 . 1 1 22 22 LEU C C 22 172.591 172.591 175.871 -3.280 19904 4924 1 8 . 1 1 22 22 LEU CA C 22 53.332 53.332 52.428 0.904 19904 4925 1 8 . 1 1 22 22 LEU CB C 22 41.996 41.996 39.698 2.298 19904 4926 1 8 . 1 1 22 22 LEU H H 22 8.292 8.292 8.169 0.123 19904 4927 1 8 . 1 1 23 23 ALA N N 23 125.266 125.266 124.827 0.439 19904 4928 1 8 . 1 1 23 23 ALA HA H 23 4.174 4.174 4.866 -0.692 19904 4929 1 8 . 1 1 23 23 ALA C C 23 176.009 176.009 175.452 0.557 19904 4930 1 8 . 1 1 23 23 ALA CA C 23 50.357 50.357 49.475 0.882 19904 4931 1 8 . 1 1 23 23 ALA CB C 23 18.298 18.298 20.119 -1.821 19904 4932 1 8 . 1 1 23 23 ALA H H 23 7.521 7.521 7.336 0.185 19904 4933 1 8 . 1 1 24 24 PRO HA H 24 4.406 4.406 4.384 0.022 19904 4934 1 8 . 1 1 24 24 PRO C C 24 175.951 175.951 176.745 -0.794 19904 4935 1 8 . 1 1 24 24 PRO CA C 24 64.918 64.918 64.626 0.292 19904 4936 1 8 . 1 1 24 24 PRO CB C 24 31.480 31.480 32.066 -0.586 19904 4937 1 8 . 1 1 25 25 ARG N N 25 113.570 113.570 118.380 -4.810 19904 4938 1 8 . 1 1 25 25 ARG HA H 25 3.997 3.997 4.370 -0.373 19904 4939 1 8 . 1 1 25 25 ARG C C 25 173.076 173.076 176.647 -3.571 19904 4940 1 8 . 1 1 25 25 ARG CA C 25 57.993 57.993 56.905 1.088 19904 4941 1 8 . 1 1 25 25 ARG CB C 25 29.623 29.623 29.956 -0.333 19904 4942 1 8 . 1 1 25 25 ARG H H 25 7.997 7.997 8.392 -0.395 19904 4943 1 8 . 1 1 26 26 ASN N N 26 118.698 118.698 115.859 2.839 19904 4944 1 8 . 1 1 26 26 ASN HA H 26 4.684 4.684 4.743 -0.059 19904 4945 1 8 . 1 1 26 26 ASN C C 26 171.211 171.211 173.817 -2.606 19904 4946 1 8 . 1 1 26 26 ASN CA C 26 51.481 51.481 52.214 -0.733 19904 4947 1 8 . 1 1 26 26 ASN CB C 26 36.343 36.343 39.252 -2.909 19904 4948 1 8 . 1 1 26 26 ASN H H 26 7.314 7.314 8.037 -0.723 19904 4949 1 8 . 1 1 27 27 LYS N N 27 122.069 122.069 120.979 1.090 19904 4950 1 8 . 1 1 27 27 LYS HA H 27 3.545 3.545 4.106 -0.561 19904 4951 1 8 . 1 1 27 27 LYS C C 27 175.308 175.308 177.576 -2.268 19904 4952 1 8 . 1 1 27 27 LYS CA C 27 58.932 58.932 58.597 0.335 19904 4953 1 8 . 1 1 27 27 LYS CB C 27 32.223 32.223 31.903 0.320 19904 4954 1 8 . 1 1 27 27 LYS H H 27 6.739 6.739 8.103 -1.364 19904 4955 1 8 . 1 1 28 28 GLY N N 28 115.186 115.186 112.612 2.574 19904 4956 1 8 . 1 1 28 28 GLY C C 28 172.044 172.044 173.582 -1.538 19904 4957 1 8 . 1 1 28 28 GLY CA C 28 44.167 44.167 44.623 -0.456 19904 4958 1 8 . 1 1 28 28 GLY H H 28 9.170 9.170 8.565 0.605 19904 4959 1 8 . 1 1 29 29 GLU N N 29 123.612 123.612 121.485 2.127 19904 4960 1 8 . 1 1 29 29 GLU HA H 29 3.988 3.988 4.400 -0.412 19904 4961 1 8 . 1 1 29 29 GLU C C 29 173.511 173.511 175.114 -1.603 19904 4962 1 8 . 1 1 29 29 GLU CA C 29 57.456 57.456 56.043 1.413 19904 4963 1 8 . 1 1 29 29 GLU CB C 29 29.848 29.848 31.135 -1.287 19904 4964 1 8 . 1 1 29 29 GLU H H 29 8.247 8.247 7.908 0.339 19904 4965 1 8 . 1 1 30 30 LYS N N 30 127.143 127.143 123.924 3.219 19904 4966 1 8 . 1 1 30 30 LYS HA H 30 4.136 4.136 4.491 -0.355 19904 4967 1 8 . 1 1 30 30 LYS C C 30 173.356 173.356 175.227 -1.871 19904 4968 1 8 . 1 1 30 30 LYS CA C 30 57.006 57.006 55.371 1.635 19904 4969 1 8 . 1 1 30 30 LYS CB C 30 32.352 32.352 35.389 -3.037 19904 4970 1 8 . 1 1 30 30 LYS H H 30 8.580 8.580 8.274 0.306 19904 4971 1 8 . 1 1 31 31 ILE N N 31 125.431 125.431 121.625 3.806 19904 4972 1 8 . 1 1 31 31 ILE HA H 31 4.126 4.126 4.368 -0.242 19904 4973 1 8 . 1 1 31 31 ILE C C 31 172.968 172.968 175.593 -2.625 19904 4974 1 8 . 1 1 31 31 ILE CA C 31 58.365 58.365 61.039 -2.674 19904 4975 1 8 . 1 1 31 31 ILE CB C 31 35.846 35.846 40.107 -4.261 19904 4976 1 8 . 1 1 31 31 ILE H H 31 8.136 8.136 8.503 -0.367 19904 4977 1 8 . 1 1 32 32 THR N N 32 116.000 116.000 120.527 -4.527 19904 4978 1 8 . 1 1 32 32 THR HA H 32 4.391 4.391 4.496 -0.105 19904 4979 1 8 . 1 1 32 32 THR C C 32 172.242 172.242 174.097 -1.855 19904 4980 1 8 . 1 1 32 32 THR CA C 32 60.626 60.626 61.856 -1.230 19904 4981 1 8 . 1 1 32 32 THR CB C 32 69.692 69.692 69.303 0.389 19904 4982 1 8 . 1 1 32 32 THR H H 32 8.501 8.501 8.171 0.330 19904 4983 1 8 . 1 1 33 33 ARG N N 33 122.696 122.696 121.778 0.918 19904 4984 1 8 . 1 1 33 33 ARG HA H 33 4.516 4.516 4.463 0.053 19904 4985 1 8 . 1 1 33 33 ARG C C 33 171.016 171.016 175.621 -4.605 19904 4986 1 8 . 1 1 33 33 ARG CA C 33 55.200 55.200 55.435 -0.235 19904 4987 1 8 . 1 1 33 33 ARG CB C 33 29.990 29.990 31.488 -1.498 19904 4988 1 8 . 1 1 33 33 ARG H H 33 7.156 7.156 7.822 -0.666 19904 4989 1 8 . 1 1 34 34 SER N N 34 117.773 117.773 114.033 3.740 19904 4990 1 8 . 1 1 34 34 SER HA H 34 4.536 4.536 5.046 -0.510 19904 4991 1 8 . 1 1 34 34 SER C C 34 172.654 172.654 176.340 -3.686 19904 4992 1 8 . 1 1 34 34 SER CA C 34 57.072 57.072 57.272 -0.200 19904 4993 1 8 . 1 1 34 34 SER CB C 34 65.763 65.763 65.405 0.358 19904 4994 1 8 . 1 1 34 34 SER H H 34 9.144 9.144 8.508 0.636 19904 4995 1 8 . 1 1 35 35 ARG N N 35 122.568 122.568 120.243 2.325 19904 4996 1 8 . 1 1 35 35 ARG HA H 35 3.362 3.362 4.069 -0.707 19904 4997 1 8 . 1 1 35 35 ARG C C 35 174.904 174.904 177.807 -2.903 19904 4998 1 8 . 1 1 35 35 ARG CA C 35 60.234 60.234 59.175 1.059 19904 4999 1 8 . 1 1 35 35 ARG CB C 35 29.363 29.363 29.262 0.102 19904 5000 1 8 . 1 1 35 35 ARG H H 35 8.904 8.904 8.898 0.006 19904 5001 1 8 . 1 1 36 36 ALA N N 36 120.049 120.049 120.397 -0.348 19904 5002 1 8 . 1 1 36 36 ALA HA H 36 3.861 3.861 4.090 -0.229 19904 5003 1 8 . 1 1 36 36 ALA C C 36 177.495 177.495 179.592 -2.097 19904 5004 1 8 . 1 1 36 36 ALA CA C 36 54.849 54.849 54.581 0.268 19904 5005 1 8 . 1 1 36 36 ALA CB C 36 17.598 17.598 17.715 -0.117 19904 5006 1 8 . 1 1 36 36 ALA H H 36 8.120 8.120 8.488 -0.368 19904 5007 1 8 . 1 1 37 37 ASP N N 37 118.222 118.222 118.701 -0.479 19904 5008 1 8 . 1 1 37 37 ASP HA H 37 4.313 4.313 4.478 -0.165 19904 5009 1 8 . 1 1 37 37 ASP C C 37 176.547 176.547 177.952 -1.405 19904 5010 1 8 . 1 1 37 37 ASP CA C 37 56.653 56.653 56.884 -0.231 19904 5011 1 8 . 1 1 37 37 ASP CB C 37 40.656 40.656 41.340 -0.684 19904 5012 1 8 . 1 1 37 37 ASP H H 37 7.877 7.877 7.826 0.051 19904 5013 1 8 . 1 1 38 38 ALA N N 38 124.726 124.726 123.322 1.404 19904 5014 1 8 . 1 1 38 38 ALA HA H 38 3.928 3.928 4.009 -0.081 19904 5015 1 8 . 1 1 38 38 ALA C C 38 175.791 175.791 179.577 -3.786 19904 5016 1 8 . 1 1 38 38 ALA CA C 38 55.163 55.163 55.196 -0.033 19904 5017 1 8 . 1 1 38 38 ALA CB C 38 18.040 18.040 18.409 -0.369 19904 5018 1 8 . 1 1 38 38 ALA H H 38 8.269 8.269 7.359 0.910 19904 5019 1 8 . 1 1 39 39 ILE N N 39 119.010 119.010 117.551 1.459 19904 5020 1 8 . 1 1 39 39 ILE HA H 39 3.476 3.476 3.536 -0.060 19904 5021 1 8 . 1 1 39 39 ILE C C 39 175.129 175.129 178.018 -2.889 19904 5022 1 8 . 1 1 39 39 ILE CA C 39 65.121 65.121 66.026 -0.905 19904 5023 1 8 . 1 1 39 39 ILE CB C 39 37.411 37.411 37.739 -0.328 19904 5024 1 8 . 1 1 39 39 ILE H H 39 7.974 7.974 8.009 -0.035 19904 5025 1 8 . 1 1 40 40 ASN N N 40 117.393 117.393 117.725 -0.332 19904 5026 1 8 . 1 1 40 40 ASN HA H 40 4.332 4.332 4.478 -0.146 19904 5027 1 8 . 1 1 40 40 ASN C C 40 175.608 175.608 177.655 -2.047 19904 5028 1 8 . 1 1 40 40 ASN CA C 40 55.865 55.865 55.825 0.040 19904 5029 1 8 . 1 1 40 40 ASN CB C 40 37.589 37.589 38.599 -1.010 19904 5030 1 8 . 1 1 40 40 ASN H H 40 8.122 8.122 7.528 0.594 19904 5031 1 8 . 1 1 41 41 LEU N N 41 123.846 123.846 122.353 1.493 19904 5032 1 8 . 1 1 41 41 LEU HA H 41 4.127 4.127 3.670 0.457 19904 5033 1 8 . 1 1 41 41 LEU C C 41 175.147 175.147 177.469 -2.322 19904 5034 1 8 . 1 1 41 41 LEU CA C 41 57.816 57.816 57.964 -0.148 19904 5035 1 8 . 1 1 41 41 LEU CB C 41 41.589 41.589 41.223 0.366 19904 5036 1 8 . 1 1 41 41 LEU H H 41 8.220 8.220 7.858 0.362 19904 5037 1 8 . 1 1 42 42 ALA N N 42 120.677 120.677 119.716 0.961 19904 5038 1 8 . 1 1 42 42 ALA HA H 42 3.763 3.763 3.693 0.070 19904 5039 1 8 . 1 1 42 42 ALA C C 42 176.512 176.512 179.712 -3.200 19904 5040 1 8 . 1 1 42 42 ALA CA C 42 55.411 55.411 55.317 0.094 19904 5041 1 8 . 1 1 42 42 ALA CB C 42 17.619 17.619 18.123 -0.504 19904 5042 1 8 . 1 1 42 42 ALA H H 42 7.959 7.959 7.527 0.432 19904 5043 1 8 . 1 1 43 43 GLN N N 43 114.196 114.196 117.026 -2.830 19904 5044 1 8 . 1 1 43 43 GLN HA H 43 3.963 3.963 4.012 -0.049 19904 5045 1 8 . 1 1 43 43 GLN C C 43 176.189 176.189 178.495 -2.306 19904 5046 1 8 . 1 1 43 43 GLN CA C 43 58.629 58.629 58.437 0.192 19904 5047 1 8 . 1 1 43 43 GLN CB C 43 27.777 27.777 28.630 -0.853 19904 5048 1 8 . 1 1 43 43 GLN H H 43 8.275 8.275 7.621 0.654 19904 5049 1 8 . 1 1 44 44 ALA N N 44 124.632 124.632 122.420 2.212 19904 5050 1 8 . 1 1 44 44 ALA HA H 44 4.092 4.092 4.025 0.067 19904 5051 1 8 . 1 1 44 44 ALA C C 44 178.108 178.108 179.229 -1.121 19904 5052 1 8 . 1 1 44 44 ALA CA C 44 54.752 54.752 54.642 0.110 19904 5053 1 8 . 1 1 44 44 ALA CB C 44 17.241 17.241 18.494 -1.253 19904 5054 1 8 . 1 1 44 44 ALA H H 44 8.134 8.134 7.803 0.331 19904 5055 1 8 . 1 1 45 45 ILE N N 45 120.659 120.659 118.596 2.063 19904 5056 1 8 . 1 1 45 45 ILE HA H 45 3.323 3.323 3.675 -0.352 19904 5057 1 8 . 1 1 45 45 ILE C C 45 176.240 176.240 178.435 -2.195 19904 5058 1 8 . 1 1 45 45 ILE CA C 45 65.254 65.254 65.441 -0.187 19904 5059 1 8 . 1 1 45 45 ILE CB C 45 37.531 37.531 37.996 -0.465 19904 5060 1 8 . 1 1 45 45 ILE H H 45 7.970 7.970 8.003 -0.033 19904 5061 1 8 . 1 1 46 46 LEU N N 46 117.950 117.950 118.219 -0.269 19904 5062 1 8 . 1 1 46 46 LEU HA H 46 4.223 4.223 4.342 -0.119 19904 5063 1 8 . 1 1 46 46 LEU C C 46 177.868 177.868 177.681 0.187 19904 5064 1 8 . 1 1 46 46 LEU CA C 46 57.585 57.585 57.885 -0.300 19904 5065 1 8 . 1 1 46 46 LEU CB C 46 41.627 41.627 41.074 0.553 19904 5066 1 8 . 1 1 46 46 LEU H H 46 7.360 7.360 7.544 -0.184 19904 5067 1 8 . 1 1 47 47 ALA N N 47 120.942 120.942 118.982 1.960 19904 5068 1 8 . 1 1 47 47 ALA HA H 47 4.072 4.072 4.337 -0.265 19904 5069 1 8 . 1 1 47 47 ALA C C 47 176.501 176.501 179.315 -2.814 19904 5070 1 8 . 1 1 47 47 ALA CA C 47 53.869 53.869 53.231 0.638 19904 5071 1 8 . 1 1 47 47 ALA CB C 47 17.600 17.600 17.994 -0.394 19904 5072 1 8 . 1 1 47 47 ALA H H 47 8.135 8.135 7.156 0.979 19904 5073 1 8 . 1 1 48 48 GLN N N 48 116.773 116.773 118.228 -1.455 19904 5074 1 8 . 1 1 48 48 GLN HA H 48 3.947 3.947 4.189 -0.242 19904 5075 1 8 . 1 1 48 48 GLN C C 48 173.703 173.703 176.869 -3.166 19904 5076 1 8 . 1 1 48 48 GLN CA C 48 57.455 57.455 57.635 -0.180 19904 5077 1 8 . 1 1 48 48 GLN CB C 48 27.999 27.999 28.715 -0.716 19904 5078 1 8 . 1 1 48 48 GLN H H 48 7.615 7.615 8.171 -0.556 19904 5079 1 8 . 1 1 49 49 HIS N N 49 116.736 116.736 115.704 1.032 19904 5080 1 8 . 1 1 49 49 HIS HA H 49 4.686 4.686 4.515 0.171 19904 5081 1 8 . 1 1 49 49 HIS C C 49 172.191 172.191 174.004 -1.813 19904 5082 1 8 . 1 1 49 49 HIS CA C 49 53.597 53.597 52.275 1.322 19904 5083 1 8 . 1 1 49 49 HIS CB C 49 28.298 28.298 27.123 1.175 19904 5084 1 8 . 1 1 49 49 HIS H H 49 7.373 7.373 7.670 -0.297 19904 5085 1 8 . 1 1 50 50 LYS N N 50 119.417 119.417 122.900 -3.483 19904 5086 1 8 . 1 1 50 50 LYS HA H 50 4.048 4.048 4.072 -0.024 19904 5087 1 8 . 1 1 50 50 LYS C C 50 174.041 174.041 176.734 -2.693 19904 5088 1 8 . 1 1 50 50 LYS CA C 50 58.207 58.207 56.887 1.320 19904 5089 1 8 . 1 1 50 50 LYS CB C 50 31.869 31.869 31.085 0.784 19904 5090 1 8 . 1 1 50 50 LYS H H 50 7.494 7.494 7.645 -0.151 19904 5091 1 8 . 1 1 51 51 GLU N N 51 117.754 117.754 118.543 -0.789 19904 5092 1 8 . 1 1 51 51 GLU HA H 51 4.097 4.097 3.915 0.182 19904 5093 1 8 . 1 1 51 51 GLU C C 51 173.337 173.337 175.419 -2.082 19904 5094 1 8 . 1 1 51 51 GLU CA C 51 57.273 57.273 57.292 -0.019 19904 5095 1 8 . 1 1 51 51 GLU CB C 51 28.391 28.391 27.794 0.597 19904 5096 1 8 . 1 1 51 51 GLU H H 51 8.916 8.916 8.446 0.470 19904 5097 1 8 . 1 1 52 52 ARG N N 52 118.808 118.808 116.609 2.199 19904 5098 1 8 . 1 1 52 52 ARG HA H 52 4.511 4.511 4.367 0.144 19904 5099 1 8 . 1 1 52 52 ARG C C 52 172.824 172.824 173.455 -0.631 19904 5100 1 8 . 1 1 52 52 ARG CA C 52 55.657 55.657 55.314 0.343 19904 5101 1 8 . 1 1 52 52 ARG CB C 52 31.484 31.484 32.034 -0.550 19904 5102 1 8 . 1 1 52 52 ARG H H 52 7.708 7.708 7.783 -0.075 19904 5103 1 8 . 1 1 53 53 LYS N N 53 121.953 121.953 118.820 3.133 19904 5104 1 8 . 1 1 53 53 LYS HA H 53 4.502 4.502 4.705 -0.203 19904 5105 1 8 . 1 1 53 53 LYS C C 53 173.892 173.892 174.555 -0.663 19904 5106 1 8 . 1 1 53 53 LYS CA C 53 56.580 56.580 56.192 0.388 19904 5107 1 8 . 1 1 53 53 LYS CB C 53 32.659 32.659 33.183 -0.524 19904 5108 1 8 . 1 1 53 53 LYS H H 53 8.698 8.698 8.312 0.386 19904 5109 1 8 . 1 1 54 54 THR N N 54 109.590 109.590 114.698 -5.108 19904 5110 1 8 . 1 1 54 54 THR HA H 54 4.925 4.925 5.184 -0.259 19904 5111 1 8 . 1 1 54 54 THR C C 54 171.619 171.619 173.710 -2.091 19904 5112 1 8 . 1 1 54 54 THR CA C 54 59.929 59.929 62.032 -2.103 19904 5113 1 8 . 1 1 54 54 THR CB C 54 70.010 70.010 70.731 -0.721 19904 5114 1 8 . 1 1 54 54 THR H H 54 7.485 7.485 7.672 -0.187 19904 5115 1 8 . 1 1 55 55 TRP N N 55 125.280 125.280 127.285 -2.005 19904 5116 1 8 . 1 1 55 55 TRP HA H 55 4.994 4.994 4.898 0.096 19904 5117 1 8 . 1 1 55 55 TRP C C 55 174.476 174.476 175.755 -1.279 19904 5118 1 8 . 1 1 55 55 TRP CA C 55 55.069 55.069 56.501 -1.431 19904 5119 1 8 . 1 1 55 55 TRP CB C 55 31.112 31.112 30.822 0.290 19904 5120 1 8 . 1 1 55 55 TRP H H 55 9.334 9.334 8.184 1.150 19904 5121 1 8 . 1 1 56 56 SER N N 56 122.007 122.007 117.170 4.837 19904 5122 1 8 . 1 1 56 56 SER HA H 56 4.681 4.681 4.838 -0.157 19904 5123 1 8 . 1 1 56 56 SER C C 56 172.033 172.033 174.895 -2.862 19904 5124 1 8 . 1 1 56 56 SER CA C 56 56.530 56.530 56.810 -0.280 19904 5125 1 8 . 1 1 56 56 SER CB C 56 65.129 65.129 65.406 -0.277 19904 5126 1 8 . 1 1 56 56 SER H H 56 9.350 9.350 8.552 0.798 19904 5127 1 8 . 1 1 57 57 LEU N N 57 123.899 123.899 123.460 0.439 19904 5128 1 8 . 1 1 57 57 LEU HA H 57 3.895 3.895 4.978 -1.083 19904 5129 1 8 . 1 1 57 57 LEU C C 57 175.734 175.734 178.707 -2.973 19904 5130 1 8 . 1 1 57 57 LEU CA C 57 58.307 58.307 57.363 0.944 19904 5131 1 8 . 1 1 57 57 LEU CB C 57 40.951 40.951 42.306 -1.355 19904 5132 1 8 . 1 1 57 57 LEU H H 57 8.828 8.828 8.874 -0.046 19904 5133 1 8 . 1 1 58 58 ASP N N 58 115.249 115.249 117.389 -2.140 19904 5134 1 8 . 1 1 58 58 ASP HA H 58 4.183 4.183 4.591 -0.408 19904 5135 1 8 . 1 1 58 58 ASP C C 58 176.605 176.605 177.565 -0.960 19904 5136 1 8 . 1 1 58 58 ASP CA C 58 57.043 57.043 56.683 0.360 19904 5137 1 8 . 1 1 58 58 ASP CB C 58 40.308 40.308 40.991 -0.683 19904 5138 1 8 . 1 1 58 58 ASP H H 58 8.229 8.229 8.519 -0.290 19904 5139 1 8 . 1 1 59 59 GLU N N 59 118.743 118.743 119.702 -0.959 19904 5140 1 8 . 1 1 59 59 GLU HA H 59 3.912 3.912 4.320 -0.408 19904 5141 1 8 . 1 1 59 59 GLU C C 59 176.819 176.819 178.093 -1.274 19904 5142 1 8 . 1 1 59 59 GLU CA C 59 58.459 58.459 58.761 -0.302 19904 5143 1 8 . 1 1 59 59 GLU CB C 59 30.086 30.086 30.023 0.063 19904 5144 1 8 . 1 1 59 59 GLU H H 59 7.589 7.589 7.954 -0.365 19904 5145 1 8 . 1 1 60 60 PHE N N 60 121.809 121.809 120.244 1.565 19904 5146 1 8 . 1 1 60 60 PHE HA H 60 4.147 4.147 4.025 0.122 19904 5147 1 8 . 1 1 60 60 PHE C C 60 174.448 174.448 177.716 -3.268 19904 5148 1 8 . 1 1 60 60 PHE CA C 60 62.439 62.439 61.818 0.621 19904 5149 1 8 . 1 1 60 60 PHE CB C 60 38.980 38.980 39.183 -0.203 19904 5150 1 8 . 1 1 60 60 PHE H H 60 8.055 8.055 7.727 0.328 19904 5151 1 8 . 1 1 61 61 VAL N N 61 118.759 118.759 115.379 3.380 19904 5152 1 8 . 1 1 61 61 VAL HA H 61 3.465 3.465 3.604 -0.139 19904 5153 1 8 . 1 1 61 61 VAL C C 61 175.119 175.119 177.893 -2.774 19904 5154 1 8 . 1 1 61 61 VAL CA C 61 66.454 66.454 65.912 0.542 19904 5155 1 8 . 1 1 61 61 VAL CB C 61 31.345 31.345 31.454 -0.109 19904 5156 1 8 . 1 1 61 61 VAL H H 61 9.098 9.098 7.725 1.373 19904 5157 1 8 . 1 1 62 62 GLN N N 62 117.732 117.732 118.499 -0.767 19904 5158 1 8 . 1 1 62 62 GLN HA H 62 3.762 3.762 4.136 -0.374 19904 5159 1 8 . 1 1 62 62 GLN C C 62 172.363 172.363 177.545 -5.182 19904 5160 1 8 . 1 1 62 62 GLN CA C 62 59.025 59.025 58.351 0.674 19904 5161 1 8 . 1 1 62 62 GLN CB C 62 27.967 27.967 28.692 -0.725 19904 5162 1 8 . 1 1 62 62 GLN H H 62 7.462 7.462 7.917 -0.455 19904 5163 1 8 . 1 1 63 63 VAL N N 63 113.433 113.433 117.890 -4.457 19904 5164 1 8 . 1 1 63 63 VAL HA H 63 4.147 4.147 3.713 0.434 19904 5165 1 8 . 1 1 63 63 VAL C C 63 176.157 176.157 177.553 -1.396 19904 5166 1 8 . 1 1 63 63 VAL CA C 63 64.982 64.982 64.109 0.873 19904 5167 1 8 . 1 1 63 63 VAL CB C 63 30.895 30.895 31.463 -0.568 19904 5168 1 8 . 1 1 63 63 VAL H H 63 6.895 6.895 7.562 -0.667 19904 5169 1 8 . 1 1 64 64 VAL N N 64 122.958 122.958 120.745 2.213 19904 5170 1 8 . 1 1 64 64 VAL HA H 64 3.307 3.307 3.636 -0.329 19904 5171 1 8 . 1 1 64 64 VAL C C 64 176.891 176.891 178.372 -1.481 19904 5172 1 8 . 1 1 64 64 VAL CA C 64 66.872 66.872 65.848 1.024 19904 5173 1 8 . 1 1 64 64 VAL CB C 64 31.240 31.240 30.982 0.258 19904 5174 1 8 . 1 1 64 64 VAL H H 64 7.908 7.908 8.138 -0.230 19904 5175 1 8 . 1 1 65 65 ARG N N 65 118.898 118.898 117.649 1.249 19904 5176 1 8 . 1 1 65 65 ARG HA H 65 3.754 3.754 4.091 -0.337 19904 5177 1 8 . 1 1 65 65 ARG C C 65 175.082 175.082 176.915 -1.833 19904 5178 1 8 . 1 1 65 65 ARG CA C 65 59.710 59.710 58.404 1.306 19904 5179 1 8 . 1 1 65 65 ARG CB C 65 29.819 29.819 29.877 -0.058 19904 5180 1 8 . 1 1 65 65 ARG H H 65 8.459 8.459 7.251 1.208 19904 5181 1 8 . 1 1 66 66 ASP N N 66 115.125 115.125 116.626 -1.501 19904 5182 1 8 . 1 1 66 66 ASP HA H 66 4.326 4.326 4.314 0.012 19904 5183 1 8 . 1 1 66 66 ASP C C 66 174.721 174.721 175.547 -0.826 19904 5184 1 8 . 1 1 66 66 ASP CA C 66 55.771 55.771 54.763 1.008 19904 5185 1 8 . 1 1 66 66 ASP CB C 66 41.983 41.983 40.730 1.253 19904 5186 1 8 . 1 1 66 66 ASP H H 66 7.446 7.446 8.087 -0.641 19904 5187 1 8 . 1 1 67 67 PHE N N 67 111.221 111.221 115.595 -4.374 19904 5188 1 8 . 1 1 67 67 PHE HA H 67 4.691 4.691 4.580 0.111 19904 5189 1 8 . 1 1 67 67 PHE C C 67 174.114 174.114 175.617 -1.503 19904 5190 1 8 . 1 1 67 67 PHE CA C 67 58.940 58.940 57.685 1.255 19904 5191 1 8 . 1 1 67 67 PHE CB C 67 42.781 42.781 40.633 2.148 19904 5192 1 8 . 1 1 67 67 PHE H H 67 8.044 8.044 7.065 0.979 19904 5193 1 8 . 1 1 68 68 SER N N 68 110.726 110.726 117.832 -7.106 19904 5194 1 8 . 1 1 68 68 SER HA H 68 4.313 4.313 4.327 -0.014 19904 5195 1 8 . 1 1 68 68 SER C C 68 174.559 174.559 174.652 -0.093 19904 5196 1 8 . 1 1 68 68 SER CA C 68 58.905 58.905 59.700 -0.795 19904 5197 1 8 . 1 1 68 68 SER CB C 68 65.317 65.317 63.447 1.869 19904 5198 1 8 . 1 1 68 68 SER H H 68 8.462 8.462 7.844 0.618 19904 5199 1 8 . 1 1 69 69 GLU N N 69 126.213 126.213 127.868 -1.655 19904 5200 1 8 . 1 1 69 69 GLU HA H 69 4.650 4.650 4.616 0.034 19904 5201 1 8 . 1 1 69 69 GLU C C 69 172.201 172.201 174.943 -2.742 19904 5202 1 8 . 1 1 69 69 GLU CA C 69 55.493 55.493 55.071 0.422 19904 5203 1 8 . 1 1 69 69 GLU CB C 69 29.575 29.575 30.010 -0.435 19904 5204 1 8 . 1 1 69 69 GLU H H 69 9.298 9.298 8.318 0.980 19904 5205 1 8 . 1 1 70 70 CYS N N 70 124.210 124.210 119.979 4.231 19904 5206 1 8 . 1 1 70 70 CYS HA H 70 4.310 4.310 4.797 -0.487 19904 5207 1 8 . 1 1 70 70 CYS C C 70 173.632 173.632 176.911 -3.279 19904 5208 1 8 . 1 1 70 70 CYS CA C 70 58.718 58.718 57.472 1.246 19904 5209 1 8 . 1 1 70 70 CYS CB C 70 30.055 30.055 31.514 -1.459 19904 5210 1 8 . 1 1 70 70 CYS H H 70 7.610 7.610 8.160 -0.550 19904 5211 1 8 . 1 1 71 71 GLY N N 71 118.767 118.767 109.682 9.085 19904 5212 1 8 . 1 1 71 71 GLY C C 71 174.447 174.447 175.933 -1.486 19904 5213 1 8 . 1 1 71 71 GLY CA C 71 47.313 47.313 46.942 0.371 19904 5214 1 8 . 1 1 71 71 GLY H H 71 8.712 8.712 8.814 -0.102 19904 5215 1 8 . 1 1 72 72 SER N N 72 123.624 123.624 116.108 7.516 19904 5216 1 8 . 1 1 72 72 SER HA H 72 4.146 4.146 4.280 -0.134 19904 5217 1 8 . 1 1 72 72 SER C C 72 175.737 175.737 175.305 0.432 19904 5218 1 8 . 1 1 72 72 SER CA C 72 61.353 61.353 59.130 2.223 19904 5219 1 8 . 1 1 72 72 SER CB C 72 62.668 62.668 62.669 -0.001 19904 5220 1 8 . 1 1 72 72 SER H H 72 10.436 10.436 8.057 2.379 19904 5221 1 8 . 1 1 73 73 ALA N N 73 128.994 128.994 125.843 3.151 19904 5222 1 8 . 1 1 73 73 ALA HA H 73 3.991 3.991 4.028 -0.037 19904 5223 1 8 . 1 1 73 73 ALA C C 73 176.885 176.885 179.080 -2.195 19904 5224 1 8 . 1 1 73 73 ALA CA C 73 55.115 55.115 55.094 0.021 19904 5225 1 8 . 1 1 73 73 ALA CB C 73 18.363 18.363 18.197 0.166 19904 5226 1 8 . 1 1 73 73 ALA H H 73 8.480 8.480 8.434 0.046 19904 5227 1 8 . 1 1 74 74 LYS N N 74 119.815 119.815 116.302 3.513 19904 5228 1 8 . 1 1 74 74 LYS HA H 74 4.146 4.146 3.992 0.154 19904 5229 1 8 . 1 1 74 74 LYS C C 74 173.942 173.942 177.542 -3.600 19904 5230 1 8 . 1 1 74 74 LYS CA C 74 58.981 58.981 58.704 0.277 19904 5231 1 8 . 1 1 74 74 LYS CB C 74 32.424 32.424 32.685 -0.261 19904 5232 1 8 . 1 1 74 74 LYS H H 74 8.043 8.043 7.681 0.362 19904 5233 1 8 . 1 1 75 75 ARG N N 75 118.332 118.332 115.567 2.765 19904 5234 1 8 . 1 1 75 75 ARG HA H 75 4.742 4.742 4.513 0.229 19904 5235 1 8 . 1 1 75 75 ARG C C 75 173.269 173.269 175.406 -2.137 19904 5236 1 8 . 1 1 75 75 ARG CA C 75 54.048 54.048 55.045 -0.997 19904 5237 1 8 . 1 1 75 75 ARG CB C 75 28.796 28.796 29.688 -0.892 19904 5238 1 8 . 1 1 75 75 ARG H H 75 7.536 7.536 7.880 -0.344 19904 5239 1 8 . 1 1 76 76 ASP N N 76 115.890 115.890 118.296 -2.406 19904 5240 1 8 . 1 1 76 76 ASP HA H 76 4.310 4.310 4.289 0.021 19904 5241 1 8 . 1 1 76 76 ASP C C 76 169.530 169.530 175.819 -6.289 19904 5242 1 8 . 1 1 76 76 ASP CA C 76 56.876 56.876 55.525 1.351 19904 5243 1 8 . 1 1 76 76 ASP CB C 76 39.268 39.268 38.174 1.094 19904 5244 1 8 . 1 1 76 76 ASP H H 76 7.601 7.601 8.560 -0.959 19904 5245 1 8 . 1 1 77 77 GLY N N 77 100.656 100.656 103.969 -3.313 19904 5246 1 8 . 1 1 77 77 GLY C C 77 170.735 170.735 173.576 -2.841 19904 5247 1 8 . 1 1 77 77 GLY CA C 77 56.712 56.712 45.970 10.742 19904 5248 1 8 . 1 1 77 77 GLY H H 77 8.218 8.218 7.985 0.233 19904 5249 1 8 . 1 1 78 78 ASP N N 78 118.744 118.744 119.814 -1.070 19904 5250 1 8 . 1 1 78 78 ASP HA H 78 3.085 3.085 5.103 -2.018 19904 5251 1 8 . 1 1 78 78 ASP C C 78 173.696 173.696 175.414 -1.718 19904 5252 1 8 . 1 1 78 78 ASP CA C 78 54.461 54.461 53.642 0.819 19904 5253 1 8 . 1 1 78 78 ASP CB C 78 41.330 41.330 41.763 -0.433 19904 5254 1 8 . 1 1 78 78 ASP H H 78 6.679 6.679 7.535 -0.856 19904 5255 1 8 . 1 1 79 79 LEU N N 79 127.557 127.557 124.493 3.064 19904 5256 1 8 . 1 1 79 79 LEU HA H 79 4.333 4.333 4.667 -0.334 19904 5257 1 8 . 1 1 79 79 LEU C C 79 175.311 175.311 177.387 -2.076 19904 5258 1 8 . 1 1 79 79 LEU CA C 79 54.093 54.093 54.580 -0.487 19904 5259 1 8 . 1 1 79 79 LEU CB C 79 41.896 41.896 42.068 -0.172 19904 5260 1 8 . 1 1 79 79 LEU H H 79 8.837 8.837 8.146 0.691 19904 5261 1 8 . 1 1 80 80 GLY N N 80 109.745 109.745 110.639 -0.894 19904 5262 1 8 . 1 1 80 80 GLY C C 80 169.506 169.506 173.961 -4.455 19904 5263 1 8 . 1 1 80 80 GLY CA C 80 44.467 44.467 43.927 0.540 19904 5264 1 8 . 1 1 80 80 GLY H H 80 8.744 8.744 8.360 0.384 19904 5265 1 8 . 1 1 81 81 MET N N 81 118.177 118.177 118.649 -0.472 19904 5266 1 8 . 1 1 81 81 MET HA H 81 4.560 4.560 4.381 0.179 19904 5267 1 8 . 1 1 81 81 MET C C 81 173.929 173.929 176.308 -2.379 19904 5268 1 8 . 1 1 81 81 MET CA C 81 53.095 53.095 56.366 -3.271 19904 5269 1 8 . 1 1 81 81 MET CB C 81 29.720 29.720 31.543 -1.823 19904 5270 1 8 . 1 1 81 81 MET H H 81 7.894 7.894 8.126 -0.232 19904 5271 1 8 . 1 1 82 82 VAL N N 82 129.209 129.209 119.141 10.068 19904 5272 1 8 . 1 1 82 82 VAL HA H 82 4.257 4.257 4.636 -0.379 19904 5273 1 8 . 1 1 82 82 VAL C C 82 172.520 172.520 175.049 -2.529 19904 5274 1 8 . 1 1 82 82 VAL CA C 82 61.786 61.786 60.800 0.986 19904 5275 1 8 . 1 1 82 82 VAL CB C 82 33.979 33.979 33.206 0.773 19904 5276 1 8 . 1 1 82 82 VAL H H 82 9.085 9.085 8.657 0.428 19904 5277 1 8 . 1 1 83 83 GLU N N 83 125.940 125.940 127.736 -1.796 19904 5278 1 8 . 1 1 83 83 GLU HA H 83 4.949 4.949 4.815 0.134 19904 5279 1 8 . 1 1 83 83 GLU C C 83 175.328 175.328 176.044 -0.716 19904 5280 1 8 . 1 1 83 83 GLU CA C 83 54.236 54.236 54.952 -0.716 19904 5281 1 8 . 1 1 83 83 GLU CB C 83 31.344 31.344 31.168 0.176 19904 5282 1 8 . 1 1 83 83 GLU H H 83 8.608 8.608 8.940 -0.332 19904 5283 1 8 . 1 1 84 84 SER N N 84 121.587 121.587 119.045 2.542 19904 5284 1 8 . 1 1 84 84 SER HA H 84 4.009 4.009 3.283 0.726 19904 5285 1 8 . 1 1 84 84 SER C C 84 172.341 172.341 175.076 -2.735 19904 5286 1 8 . 1 1 84 84 SER CA C 84 59.451 59.451 59.898 -0.447 19904 5287 1 8 . 1 1 84 84 SER CB C 84 62.340 62.340 62.967 -0.627 19904 5288 1 8 . 1 1 84 84 SER H H 84 8.737 8.737 8.216 0.521 19904 5289 1 8 . 1 1 85 85 GLY N N 85 114.678 114.678 114.062 0.616 19904 5290 1 8 . 1 1 85 85 GLY C C 85 172.501 172.501 174.328 -1.827 19904 5291 1 8 . 1 1 85 85 GLY CA C 85 45.190 45.190 44.861 0.329 19904 5292 1 8 . 1 1 85 85 GLY H H 85 10.247 10.247 8.286 1.961 19904 5293 1 8 . 1 1 86 86 THR N N 86 117.468 117.468 113.120 4.348 19904 5294 1 8 . 1 1 86 86 THR HA H 86 4.026 4.026 4.326 -0.300 19904 5295 1 8 . 1 1 86 86 THR C C 86 172.415 172.415 174.551 -2.136 19904 5296 1 8 . 1 1 86 86 THR CA C 86 64.666 64.666 63.236 1.430 19904 5297 1 8 . 1 1 86 86 THR CB C 86 69.421 69.421 70.066 -0.645 19904 5298 1 8 . 1 1 86 86 THR H H 86 8.398 8.398 7.947 0.451 19904 5299 1 8 . 1 1 87 87 TYR N N 87 123.120 123.120 119.332 3.788 19904 5300 1 8 . 1 1 87 87 TYR HA H 87 4.355 4.355 4.731 -0.376 19904 5301 1 8 . 1 1 87 87 TYR C C 87 172.035 172.035 174.886 -2.851 19904 5302 1 8 . 1 1 87 87 TYR CA C 87 57.361 57.361 55.366 1.995 19904 5303 1 8 . 1 1 87 87 TYR CB C 87 38.651 38.651 40.373 -1.722 19904 5304 1 8 . 1 1 87 87 TYR H H 87 8.869 8.869 7.772 1.097 19904 5305 1 8 . 1 1 88 88 THR N N 88 109.212 109.212 113.129 -3.917 19904 5306 1 8 . 1 1 88 88 THR HA H 88 4.304 4.304 4.415 -0.111 19904 5307 1 8 . 1 1 88 88 THR C C 88 172.134 172.134 174.818 -2.684 19904 5308 1 8 . 1 1 88 88 THR CA C 88 61.468 61.468 61.094 0.374 19904 5309 1 8 . 1 1 88 88 THR CB C 88 70.553 70.553 69.901 0.652 19904 5310 1 8 . 1 1 88 88 THR H H 88 7.339 7.339 8.167 -0.828 19904 5311 1 8 . 1 1 89 89 GLU N N 89 122.460 122.460 122.497 -0.037 19904 5312 1 8 . 1 1 89 89 GLU HA H 89 4.058 4.058 3.801 0.257 19904 5313 1 8 . 1 1 89 89 GLU C C 89 175.844 175.844 177.690 -1.846 19904 5314 1 8 . 1 1 89 89 GLU CA C 89 59.853 59.853 58.476 1.377 19904 5315 1 8 . 1 1 89 89 GLU CB C 89 29.322 29.322 29.920 -0.598 19904 5316 1 8 . 1 1 89 89 GLU H H 89 8.819 8.819 8.532 0.287 19904 5317 1 8 . 1 1 90 90 GLY N N 90 107.861 107.861 113.272 -5.411 19904 5318 1 8 . 1 1 90 90 GLY C C 90 172.835 172.835 174.222 -1.387 19904 5319 1 8 . 1 1 90 90 GLY CA C 90 46.411 46.411 45.490 0.921 19904 5320 1 8 . 1 1 90 90 GLY H H 90 8.734 8.734 9.261 -0.527 19904 5321 1 8 . 1 1 91 91 PHE N N 91 120.792 120.792 122.177 -1.385 19904 5322 1 8 . 1 1 91 91 PHE HA H 91 3.691 3.691 4.467 -0.776 19904 5323 1 8 . 1 1 91 91 PHE C C 91 173.756 173.756 175.792 -2.036 19904 5324 1 8 . 1 1 91 91 PHE CA C 91 60.625 60.625 60.444 0.181 19904 5325 1 8 . 1 1 91 91 PHE CB C 91 39.869 39.869 40.382 -0.513 19904 5326 1 8 . 1 1 91 91 PHE H H 91 7.392 7.392 7.641 -0.249 19904 5327 1 8 . 1 1 92 92 ASP N N 92 119.990 119.990 118.749 1.241 19904 5328 1 8 . 1 1 92 92 ASP HA H 92 4.473 4.473 4.555 -0.082 19904 5329 1 8 . 1 1 92 92 ASP C C 92 176.108 176.108 178.338 -2.230 19904 5330 1 8 . 1 1 92 92 ASP CA C 92 57.792 57.792 57.783 0.009 19904 5331 1 8 . 1 1 92 92 ASP CB C 92 40.222 40.222 40.147 0.075 19904 5332 1 8 . 1 1 92 92 ASP H H 92 8.339 8.339 8.201 0.138 19904 5333 1 8 . 1 1 93 93 THR N N 93 114.592 114.592 113.856 0.736 19904 5334 1 8 . 1 1 93 93 THR HA H 93 3.807 3.807 4.036 -0.229 19904 5335 1 8 . 1 1 93 93 THR C C 93 173.478 173.478 175.864 -2.386 19904 5336 1 8 . 1 1 93 93 THR CA C 93 66.000 66.000 65.316 0.684 19904 5337 1 8 . 1 1 93 93 THR CB C 93 68.763 68.763 68.315 0.448 19904 5338 1 8 . 1 1 93 93 THR H H 93 8.609 8.609 8.508 0.101 19904 5339 1 8 . 1 1 94 94 VAL N N 94 118.669 118.669 120.288 -1.619 19904 5340 1 8 . 1 1 94 94 VAL HA H 94 3.688 3.688 3.942 -0.254 19904 5341 1 8 . 1 1 94 94 VAL C C 94 176.137 176.137 177.076 -0.939 19904 5342 1 8 . 1 1 94 94 VAL CA C 94 64.692 64.692 65.159 -0.467 19904 5343 1 8 . 1 1 94 94 VAL CB C 94 32.207 32.207 31.631 0.576 19904 5344 1 8 . 1 1 94 94 VAL H H 94 6.772 6.772 7.286 -0.514 19904 5345 1 8 . 1 1 95 95 ALA N N 95 123.356 123.356 123.587 -0.231 19904 5346 1 8 . 1 1 95 95 ALA HA H 95 3.128 3.128 3.697 -0.569 19904 5347 1 8 . 1 1 95 95 ALA C C 95 177.254 177.254 178.763 -1.509 19904 5348 1 8 . 1 1 95 95 ALA CA C 95 55.202 55.202 54.780 0.422 19904 5349 1 8 . 1 1 95 95 ALA CB C 95 17.905 17.905 18.137 -0.233 19904 5350 1 8 . 1 1 95 95 ALA H H 95 8.890 8.890 8.135 0.755 19904 5351 1 8 . 1 1 96 96 PHE N N 96 111.667 111.667 113.213 -1.546 19904 5352 1 8 . 1 1 96 96 PHE HA H 96 4.170 4.170 4.598 -0.428 19904 5353 1 8 . 1 1 96 96 PHE C C 96 171.898 171.898 176.631 -4.733 19904 5354 1 8 . 1 1 96 96 PHE CA C 96 61.633 61.633 59.053 2.580 19904 5355 1 8 . 1 1 96 96 PHE CB C 96 36.448 36.448 39.088 -2.640 19904 5356 1 8 . 1 1 96 96 PHE H H 96 8.431 8.431 8.452 -0.021 19904 5357 1 8 . 1 1 97 97 SER N N 97 113.144 113.144 115.375 -2.231 19904 5358 1 8 . 1 1 97 97 SER HA H 97 4.635 4.635 4.502 0.133 19904 5359 1 8 . 1 1 97 97 SER C C 97 172.020 172.020 175.158 -3.138 19904 5360 1 8 . 1 1 97 97 SER CA C 97 58.521 58.521 59.642 -1.121 19904 5361 1 8 . 1 1 97 97 SER CB C 97 64.820 64.820 64.111 0.709 19904 5362 1 8 . 1 1 97 97 SER H H 97 7.348 7.348 7.745 -0.397 19904 5363 1 8 . 1 1 98 98 LEU N N 98 121.390 121.390 120.897 0.493 19904 5364 1 8 . 1 1 98 98 LEU HA H 98 4.131 4.131 4.143 -0.012 19904 5365 1 8 . 1 1 98 98 LEU C C 98 175.754 175.754 176.093 -0.339 19904 5366 1 8 . 1 1 98 98 LEU CA C 98 55.059 55.059 55.836 -0.777 19904 5367 1 8 . 1 1 98 98 LEU CB C 98 42.757 42.757 41.723 1.034 19904 5368 1 8 . 1 1 98 98 LEU H H 98 6.790 6.790 7.948 -1.158 19904 5369 1 8 . 1 1 99 99 LYS N N 99 124.409 124.409 118.887 5.522 19904 5370 1 8 . 1 1 99 99 LYS HA H 99 4.245 4.245 4.362 -0.117 19904 5371 1 8 . 1 1 99 99 LYS C C 99 173.517 173.517 176.410 -2.893 19904 5372 1 8 . 1 1 99 99 LYS CA C 99 55.439 55.439 55.319 0.120 19904 5373 1 8 . 1 1 99 99 LYS CB C 99 32.792 32.792 33.553 -0.762 19904 5374 1 8 . 1 1 99 99 LYS H H 99 9.086 9.086 8.184 0.902 19904 5375 1 8 . 1 1 100 100 SER N N 100 115.642 115.642 115.408 0.234 19904 5376 1 8 . 1 1 100 100 SER HA H 100 3.294 3.294 4.194 -0.900 19904 5377 1 8 . 1 1 100 100 SER C C 100 172.722 172.722 175.301 -2.579 19904 5378 1 8 . 1 1 100 100 SER CA C 100 60.816 60.816 59.740 1.076 19904 5379 1 8 . 1 1 100 100 SER CB C 100 62.342 62.342 63.371 -1.029 19904 5380 1 8 . 1 1 100 100 SER H H 100 8.469 8.469 8.299 0.170 19904 5381 1 8 . 1 1 101 101 GLY N N 101 114.871 114.871 112.859 2.012 19904 5382 1 8 . 1 1 101 101 GLY C C 101 169.465 169.465 173.682 -4.217 19904 5383 1 8 . 1 1 101 101 GLY CA C 101 45.415 45.415 45.847 -0.432 19904 5384 1 8 . 1 1 101 101 GLY H H 101 8.486 8.486 8.534 -0.048 19904 5385 1 8 . 1 1 102 102 GLU N N 102 119.387 119.387 117.978 1.409 19904 5386 1 8 . 1 1 102 102 GLU HA H 102 4.742 4.742 4.951 -0.209 19904 5387 1 8 . 1 1 102 102 GLU C C 102 171.675 171.675 174.638 -2.963 19904 5388 1 8 . 1 1 102 102 GLU CA C 102 55.276 55.276 54.800 0.476 19904 5389 1 8 . 1 1 102 102 GLU CB C 102 32.307 32.307 34.243 -1.936 19904 5390 1 8 . 1 1 102 102 GLU H H 102 7.594 7.594 7.576 0.018 19904 5391 1 8 . 1 1 103 103 VAL N N 103 119.700 119.700 122.974 -3.274 19904 5392 1 8 . 1 1 103 103 VAL HA H 103 4.836 4.836 4.315 0.521 19904 5393 1 8 . 1 1 103 103 VAL C C 103 173.611 173.611 176.162 -2.551 19904 5394 1 8 . 1 1 103 103 VAL CA C 103 58.953 58.953 61.440 -2.487 19904 5395 1 8 . 1 1 103 103 VAL CB C 103 33.653 33.653 33.205 0.448 19904 5396 1 8 . 1 1 103 103 VAL H H 103 7.884 7.884 8.650 -0.766 19904 5397 1 8 . 1 1 104 104 SER N N 104 123.705 123.705 123.857 -0.152 19904 5398 1 8 . 1 1 104 104 SER HA H 104 4.045 4.045 4.373 -0.328 19904 5399 1 8 . 1 1 104 104 SER C C 104 170.420 170.420 174.584 -4.164 19904 5400 1 8 . 1 1 104 104 SER CA C 104 58.515 58.515 58.287 0.228 19904 5401 1 8 . 1 1 104 104 SER CB C 104 66.400 66.400 63.809 2.591 19904 5402 1 8 . 1 1 104 104 SER H H 104 9.056 9.056 8.634 0.422 19904 5403 1 8 . 1 1 105 105 ALA N N 105 117.355 117.355 122.749 -5.394 19904 5404 1 8 . 1 1 105 105 ALA HA H 105 4.395 4.395 4.336 0.059 19904 5405 1 8 . 1 1 105 105 ALA C C 105 172.593 172.593 176.375 -3.782 19904 5406 1 8 . 1 1 105 105 ALA CA C 105 51.112 51.112 51.048 0.064 19904 5407 1 8 . 1 1 105 105 ALA CB C 105 16.566 16.566 18.091 -1.525 19904 5408 1 8 . 1 1 105 105 ALA H H 105 7.269 7.269 8.337 -1.068 19904 5409 1 8 . 1 1 106 106 PRO HA H 106 4.684 4.684 4.332 0.352 19904 5410 1 8 . 1 1 106 106 PRO C C 106 174.527 174.527 175.668 -1.141 19904 5411 1 8 . 1 1 106 106 PRO CA C 106 63.191 63.191 62.648 0.543 19904 5412 1 8 . 1 1 106 106 PRO CB C 106 30.197 30.197 30.712 -0.515 19904 5413 1 8 . 1 1 107 107 VAL N N 107 124.996 124.996 124.277 0.719 19904 5414 1 8 . 1 1 107 107 VAL HA H 107 4.410 4.410 4.076 0.334 19904 5415 1 8 . 1 1 107 107 VAL C C 107 171.642 171.642 175.691 -4.049 19904 5416 1 8 . 1 1 107 107 VAL CA C 107 60.030 60.030 62.980 -2.950 19904 5417 1 8 . 1 1 107 107 VAL CB C 107 34.707 34.707 32.763 1.944 19904 5418 1 8 . 1 1 107 107 VAL H H 107 8.969 8.969 7.968 1.001 19904 5419 1 8 . 1 1 108 108 GLU N N 108 128.257 128.257 126.043 2.214 19904 5420 1 8 . 1 1 108 108 GLU HA H 108 5.188 5.188 5.132 0.056 19904 5421 1 8 . 1 1 108 108 GLU C C 108 173.786 173.786 176.028 -2.242 19904 5422 1 8 . 1 1 108 108 GLU CA C 108 56.033 56.033 55.230 0.803 19904 5423 1 8 . 1 1 108 108 GLU CB C 108 31.648 31.648 33.071 -1.423 19904 5424 1 8 . 1 1 108 108 GLU H H 108 8.971 8.971 8.650 0.321 19904 5425 1 8 . 1 1 109 109 THR N N 109 115.774 115.774 118.870 -3.096 19904 5426 1 8 . 1 1 109 109 THR HA H 109 4.828 4.828 4.771 0.057 19904 5427 1 8 . 1 1 109 109 THR C C 109 173.458 173.458 173.783 -0.325 19904 5428 1 8 . 1 1 109 109 THR CA C 109 61.175 61.175 60.815 0.360 19904 5429 1 8 . 1 1 109 109 THR CB C 109 72.651 72.651 70.864 1.787 19904 5430 1 8 . 1 1 109 109 THR H H 109 9.378 9.378 8.953 0.425 19904 5431 1 8 . 1 1 110 110 GLU N N 110 118.681 118.681 120.441 -1.760 19904 5432 1 8 . 1 1 110 110 GLU HA H 110 4.354 4.354 4.107 0.247 19904 5433 1 8 . 1 1 110 110 GLU C C 110 174.619 174.619 177.827 -3.208 19904 5434 1 8 . 1 1 110 110 GLU CA C 110 58.130 58.130 59.076 -0.946 19904 5435 1 8 . 1 1 110 110 GLU CB C 110 28.500 28.500 29.441 -0.941 19904 5436 1 8 . 1 1 110 110 GLU H H 110 9.445 9.445 8.815 0.630 19904 5437 1 8 . 1 1 111 111 LEU N N 111 118.396 118.396 116.281 2.115 19904 5438 1 8 . 1 1 111 111 LEU HA H 111 4.235 4.235 4.331 -0.096 19904 5439 1 8 . 1 1 111 111 LEU C C 111 173.650 173.650 177.659 -4.009 19904 5440 1 8 . 1 1 111 111 LEU CA C 111 55.074 55.074 56.195 -1.121 19904 5441 1 8 . 1 1 111 111 LEU CB C 111 41.376 41.376 42.685 -1.309 19904 5442 1 8 . 1 1 111 111 LEU H H 111 8.849 8.849 8.091 0.758 19904 5443 1 8 . 1 1 112 112 GLY N N 112 103.523 103.523 102.596 0.927 19904 5444 1 8 . 1 1 112 112 GLY C C 112 166.641 166.641 172.067 -5.426 19904 5445 1 8 . 1 1 112 112 GLY CA C 112 43.820 43.820 45.189 -1.369 19904 5446 1 8 . 1 1 112 112 GLY H H 112 7.437 7.437 7.630 -0.193 19904 5447 1 8 . 1 1 113 113 VAL N N 113 121.766 121.766 121.724 0.042 19904 5448 1 8 . 1 1 113 113 VAL HA H 113 4.636 4.636 4.901 -0.265 19904 5449 1 8 . 1 1 113 113 VAL C C 113 171.516 171.516 175.632 -4.116 19904 5450 1 8 . 1 1 113 113 VAL CA C 113 61.125 61.125 62.068 -0.943 19904 5451 1 8 . 1 1 113 113 VAL CB C 113 32.510 32.510 32.201 0.309 19904 5452 1 8 . 1 1 113 113 VAL H H 113 8.870 8.870 7.870 1.000 19904 5453 1 8 . 1 1 114 114 HIS N N 114 125.383 125.383 127.069 -1.686 19904 5454 1 8 . 1 1 114 114 HIS HA H 114 5.669 5.669 5.699 -0.030 19904 5455 1 8 . 1 1 114 114 HIS C C 114 174.524 174.524 174.026 0.498 19904 5456 1 8 . 1 1 114 114 HIS CA C 114 53.960 53.960 54.226 -0.266 19904 5457 1 8 . 1 1 114 114 HIS CB C 114 30.978 30.978 33.287 -2.309 19904 5458 1 8 . 1 1 114 114 HIS H H 114 9.850 9.850 9.169 0.681 19904 5459 1 8 . 1 1 115 115 LEU N N 115 117.609 117.609 122.810 -5.201 19904 5460 1 8 . 1 1 115 115 LEU HA H 115 4.330 4.330 4.633 -0.303 19904 5461 1 8 . 1 1 115 115 LEU C C 115 172.779 172.779 175.134 -2.355 19904 5462 1 8 . 1 1 115 115 LEU CA C 115 54.545 54.545 54.764 -0.219 19904 5463 1 8 . 1 1 115 115 LEU CB C 115 43.651 43.651 44.533 -0.882 19904 5464 1 8 . 1 1 115 115 LEU H H 115 8.459 8.459 8.341 0.118 19904 5465 1 8 . 1 1 116 116 ILE N N 116 124.233 124.233 124.413 -0.180 19904 5466 1 8 . 1 1 116 116 ILE HA H 116 4.391 4.391 4.806 -0.415 19904 5467 1 8 . 1 1 116 116 ILE C C 116 169.528 169.528 174.181 -4.653 19904 5468 1 8 . 1 1 116 116 ILE CA C 116 60.408 60.408 59.155 1.253 19904 5469 1 8 . 1 1 116 116 ILE CB C 116 40.360 40.360 39.569 0.791 19904 5470 1 8 . 1 1 116 116 ILE H H 116 8.597 8.597 8.045 0.552 19904 5471 1 8 . 1 1 117 117 TYR N N 117 126.661 126.661 121.733 4.928 19904 5472 1 8 . 1 1 117 117 TYR HA H 117 5.020 5.020 4.940 0.080 19904 5473 1 8 . 1 1 117 117 TYR C C 117 171.915 171.915 172.555 -0.640 19904 5474 1 8 . 1 1 117 117 TYR CA C 117 54.073 54.073 55.615 -1.542 19904 5475 1 8 . 1 1 117 117 TYR CB C 117 40.842 40.842 41.326 -0.484 19904 5476 1 8 . 1 1 117 117 TYR H H 117 8.646 8.646 7.623 1.023 19904 5477 1 8 . 1 1 118 118 ARG N N 118 126.514 126.514 123.145 3.369 19904 5478 1 8 . 1 1 118 118 ARG HA H 118 4.686 4.686 4.309 0.378 19904 5479 1 8 . 1 1 118 118 ARG C C 118 171.048 171.048 174.362 -3.314 19904 5480 1 8 . 1 1 118 118 ARG CA C 118 54.269 54.269 54.272 -0.003 19904 5481 1 8 . 1 1 118 118 ARG CB C 118 30.628 30.628 31.627 -0.999 19904 5482 1 8 . 1 1 118 118 ARG H H 118 7.162 7.162 7.874 -0.712 19904 5483 1 8 . 1 1 119 119 VAL N N 119 124.856 124.856 124.568 0.288 19904 5484 1 8 . 1 1 119 119 VAL HA H 119 3.446 3.446 4.100 -0.654 19904 5485 1 8 . 1 1 119 119 VAL C C 119 171.576 171.576 175.090 -3.514 19904 5486 1 8 . 1 1 119 119 VAL CA C 119 62.315 62.315 60.074 2.241 19904 5487 1 8 . 1 1 119 119 VAL CB C 119 32.676 32.676 34.979 -2.303 19904 5488 1 8 . 1 1 119 119 VAL H H 119 7.418 7.418 7.952 -0.534 19904 5489 1 9 . 1 1 2 2 THR N N 2 114.985 114.985 114.853 0.132 19904 5490 1 9 . 1 1 2 2 THR HA H 2 4.233 4.233 4.691 -0.458 19904 5491 1 9 . 1 1 2 2 THR C C 2 170.697 170.697 174.005 -3.308 19904 5492 1 9 . 1 1 2 2 THR CA C 2 61.775 61.775 61.430 0.345 19904 5493 1 9 . 1 1 2 2 THR CB C 2 69.429 69.429 71.231 -1.802 19904 5494 1 9 . 1 1 2 2 THR H H 2 8.140 8.140 8.453 -0.313 19904 5495 1 9 . 1 1 3 3 GLU N N 3 121.736 121.736 122.194 -0.458 19904 5496 1 9 . 1 1 3 3 GLU HA H 3 5.206 5.206 5.182 0.024 19904 5497 1 9 . 1 1 3 3 GLU C C 3 173.028 173.028 175.370 -2.342 19904 5498 1 9 . 1 1 3 3 GLU CA C 3 54.900 54.900 54.869 0.031 19904 5499 1 9 . 1 1 3 3 GLU CB C 3 31.659 31.659 31.182 0.477 19904 5500 1 9 . 1 1 3 3 GLU H H 3 8.108 8.108 8.622 -0.514 19904 5501 1 9 . 1 1 4 4 ARG N N 4 120.713 120.713 122.999 -2.286 19904 5502 1 9 . 1 1 4 4 ARG HA H 4 4.360 4.360 4.413 -0.053 19904 5503 1 9 . 1 1 4 4 ARG C C 4 170.103 170.103 173.737 -3.634 19904 5504 1 9 . 1 1 4 4 ARG CA C 4 53.816 53.816 53.641 0.175 19904 5505 1 9 . 1 1 4 4 ARG CB C 4 35.162 35.162 32.795 2.367 19904 5506 1 9 . 1 1 4 4 ARG H H 4 8.309 8.309 8.789 -0.480 19904 5507 1 9 . 1 1 5 5 HIS N N 5 121.423 121.423 119.089 2.334 19904 5508 1 9 . 1 1 5 5 HIS HA H 5 5.197 5.197 4.467 0.730 19904 5509 1 9 . 1 1 5 5 HIS C C 5 170.917 170.917 172.905 -1.988 19904 5510 1 9 . 1 1 5 5 HIS CA C 5 52.151 52.151 54.549 -2.398 19904 5511 1 9 . 1 1 5 5 HIS CB C 5 29.920 29.920 31.158 -1.238 19904 5512 1 9 . 1 1 5 5 HIS H H 5 8.591 8.591 7.976 0.615 19904 5513 1 9 . 1 1 6 6 PHE N N 6 122.961 122.961 120.959 2.002 19904 5514 1 9 . 1 1 6 6 PHE HA H 6 6.042 6.042 4.442 1.600 19904 5515 1 9 . 1 1 6 6 PHE C C 6 171.599 171.599 172.893 -1.294 19904 5516 1 9 . 1 1 6 6 PHE CA C 6 55.284 55.284 54.206 1.077 19904 5517 1 9 . 1 1 6 6 PHE CB C 6 43.276 43.276 39.575 3.701 19904 5518 1 9 . 1 1 6 6 PHE H H 6 7.523 7.523 7.456 0.067 19904 5519 1 9 . 1 1 7 7 TYR N N 7 119.822 119.822 117.152 2.670 19904 5520 1 9 . 1 1 7 7 TYR HA H 7 5.692 5.692 5.201 0.491 19904 5521 1 9 . 1 1 7 7 TYR C C 7 173.785 173.785 174.607 -0.822 19904 5522 1 9 . 1 1 7 7 TYR CA C 7 55.865 55.865 56.586 -0.721 19904 5523 1 9 . 1 1 7 7 TYR CB C 7 44.067 44.067 41.256 2.811 19904 5524 1 9 . 1 1 7 7 TYR H H 7 9.313 9.313 8.081 1.232 19904 5525 1 9 . 1 1 8 8 HIS N N 8 114.648 114.648 116.386 -1.738 19904 5526 1 9 . 1 1 8 8 HIS HA H 8 6.178 6.178 5.799 0.379 19904 5527 1 9 . 1 1 8 8 HIS C C 8 170.959 170.959 173.671 -2.712 19904 5528 1 9 . 1 1 8 8 HIS CA C 8 54.875 54.875 53.752 1.123 19904 5529 1 9 . 1 1 8 8 HIS CB C 8 36.453 36.453 34.105 2.348 19904 5530 1 9 . 1 1 8 8 HIS H H 8 9.369 9.369 8.580 0.789 19904 5531 1 9 . 1 1 9 9 VAL N N 9 120.650 120.650 118.257 2.393 19904 5532 1 9 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.977 -0.416 19904 5533 1 9 . 1 1 9 9 VAL C C 9 170.078 170.078 174.194 -4.116 19904 5534 1 9 . 1 1 9 9 VAL CA C 9 61.367 61.367 60.729 0.638 19904 5535 1 9 . 1 1 9 9 VAL CB C 9 34.926 34.926 33.947 0.979 19904 5536 1 9 . 1 1 9 9 VAL H H 9 8.936 8.936 8.093 0.843 19904 5537 1 9 . 1 1 10 10 LEU N N 10 125.870 125.870 129.316 -3.446 19904 5538 1 9 . 1 1 10 10 LEU HA H 10 4.614 4.614 4.859 -0.245 19904 5539 1 9 . 1 1 10 10 LEU C C 10 171.186 171.186 175.320 -4.134 19904 5540 1 9 . 1 1 10 10 LEU CA C 10 52.217 52.217 53.761 -1.544 19904 5541 1 9 . 1 1 10 10 LEU CB C 10 46.523 46.523 43.612 2.911 19904 5542 1 9 . 1 1 10 10 LEU H H 10 7.452 7.452 8.500 -1.048 19904 5543 1 9 . 1 1 11 11 VAL N N 11 128.355 128.355 126.244 2.111 19904 5544 1 9 . 1 1 11 11 VAL HA H 11 4.086 4.086 4.435 -0.349 19904 5545 1 9 . 1 1 11 11 VAL C C 11 173.155 173.155 175.024 -1.869 19904 5546 1 9 . 1 1 11 11 VAL CA C 11 61.124 61.124 61.275 -0.151 19904 5547 1 9 . 1 1 11 11 VAL CB C 11 32.522 32.522 32.458 0.064 19904 5548 1 9 . 1 1 11 11 VAL H H 11 9.422 9.422 8.651 0.771 19904 5549 1 9 . 1 1 12 12 LYS N N 12 123.610 123.610 126.616 -3.006 19904 5550 1 9 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.548 -0.333 19904 5551 1 9 . 1 1 12 12 LYS C C 12 170.645 170.645 175.775 -5.130 19904 5552 1 9 . 1 1 12 12 LYS CA C 12 56.259 56.259 56.180 0.079 19904 5553 1 9 . 1 1 12 12 LYS CB C 12 34.702 34.702 33.942 0.760 19904 5554 1 9 . 1 1 12 12 LYS H H 12 9.071 9.071 8.601 0.470 19904 5555 1 9 . 1 1 13 13 HIS N N 13 110.414 110.414 116.944 -6.530 19904 5556 1 9 . 1 1 13 13 HIS HA H 13 4.396 4.396 4.728 -0.332 19904 5557 1 9 . 1 1 13 13 HIS C C 13 172.651 172.651 174.609 -1.958 19904 5558 1 9 . 1 1 13 13 HIS CA C 13 54.368 54.368 55.420 -1.052 19904 5559 1 9 . 1 1 13 13 HIS CB C 13 33.731 33.731 32.595 1.136 19904 5560 1 9 . 1 1 13 13 HIS H H 13 6.186 6.186 7.983 -1.797 19904 5561 1 9 . 1 1 14 14 LYS N N 14 115.373 115.373 121.514 -6.141 19904 5562 1 9 . 1 1 14 14 LYS HA H 14 4.074 4.074 4.139 -0.065 19904 5563 1 9 . 1 1 14 14 LYS C C 14 172.860 172.860 176.479 -3.619 19904 5564 1 9 . 1 1 14 14 LYS CA C 14 58.131 58.131 56.168 1.963 19904 5565 1 9 . 1 1 14 14 LYS CB C 14 32.074 32.074 31.735 0.339 19904 5566 1 9 . 1 1 14 14 LYS H H 14 9.074 9.074 8.269 0.805 19904 5567 1 9 . 1 1 15 15 ASP N N 15 119.786 119.786 118.536 1.250 19904 5568 1 9 . 1 1 15 15 ASP HA H 15 5.117 5.117 4.462 0.655 19904 5569 1 9 . 1 1 15 15 ASP C C 15 173.969 173.969 176.837 -2.868 19904 5570 1 9 . 1 1 15 15 ASP CA C 15 54.644 54.644 54.056 0.588 19904 5571 1 9 . 1 1 15 15 ASP CB C 15 41.772 41.772 41.240 0.532 19904 5572 1 9 . 1 1 15 15 ASP H H 15 8.951 8.951 7.065 1.886 19904 5573 1 9 . 1 1 16 16 VAL N N 16 113.297 113.297 116.369 -3.072 19904 5574 1 9 . 1 1 16 16 VAL HA H 16 4.353 4.353 4.047 0.306 19904 5575 1 9 . 1 1 16 16 VAL C C 16 172.635 172.635 176.086 -3.451 19904 5576 1 9 . 1 1 16 16 VAL CA C 16 60.510 60.510 61.985 -1.475 19904 5577 1 9 . 1 1 16 16 VAL CB C 16 31.450 31.450 32.530 -1.080 19904 5578 1 9 . 1 1 16 16 VAL H H 16 6.826 6.826 7.159 -0.333 19904 5579 1 9 . 1 1 17 17 ARG N N 17 119.898 119.898 120.283 -0.385 19904 5580 1 9 . 1 1 17 17 ARG HA H 17 3.990 3.990 4.184 -0.194 19904 5581 1 9 . 1 1 17 17 ARG C C 17 174.690 174.690 176.917 -2.227 19904 5582 1 9 . 1 1 17 17 ARG CA C 17 58.501 58.501 57.765 0.736 19904 5583 1 9 . 1 1 17 17 ARG CB C 17 29.664 29.664 30.520 -0.856 19904 5584 1 9 . 1 1 17 17 ARG H H 17 8.305 8.305 8.510 -0.205 19904 5585 1 9 . 1 1 18 18 ARG N N 18 116.580 116.580 116.943 -0.363 19904 5586 1 9 . 1 1 18 18 ARG HA H 18 4.643 4.643 4.716 -0.073 19904 5587 1 9 . 1 1 18 18 ARG C C 18 171.330 171.330 174.807 -3.477 19904 5588 1 9 . 1 1 18 18 ARG CA C 18 53.059 53.059 53.616 -0.557 19904 5589 1 9 . 1 1 18 18 ARG CB C 18 29.538 29.538 29.548 -0.010 19904 5590 1 9 . 1 1 18 18 ARG H H 18 8.304 8.304 8.423 -0.119 19904 5591 1 9 . 1 1 19 19 PRO HA H 19 4.177 4.177 4.491 -0.314 19904 5592 1 9 . 1 1 19 19 PRO C C 19 171.575 171.575 177.018 -5.443 19904 5593 1 9 . 1 1 19 19 PRO CA C 19 62.693 62.693 63.621 -0.928 19904 5594 1 9 . 1 1 19 19 PRO CB C 19 27.756 27.756 32.418 -4.662 19904 5595 1 9 . 1 1 20 20 SER N N 20 119.112 119.112 114.357 4.755 19904 5596 1 9 . 1 1 20 20 SER HA H 20 5.172 5.172 4.490 0.682 19904 5597 1 9 . 1 1 20 20 SER C C 20 171.036 171.036 174.332 -3.296 19904 5598 1 9 . 1 1 20 20 SER CA C 20 56.630 56.630 57.463 -0.833 19904 5599 1 9 . 1 1 20 20 SER CB C 20 65.310 65.310 64.172 1.138 19904 5600 1 9 . 1 1 20 20 SER H H 20 8.587 8.587 8.002 0.585 19904 5601 1 9 . 1 1 21 21 SER N N 21 116.758 116.758 118.310 -1.552 19904 5602 1 9 . 1 1 21 21 SER HA H 21 4.448 4.448 4.520 -0.072 19904 5603 1 9 . 1 1 21 21 SER C C 21 173.204 173.204 172.982 0.222 19904 5604 1 9 . 1 1 21 21 SER CA C 21 57.984 57.984 57.907 0.077 19904 5605 1 9 . 1 1 21 21 SER CB C 21 63.579 63.579 63.261 0.318 19904 5606 1 9 . 1 1 21 21 SER H H 21 9.000 9.000 8.330 0.670 19904 5607 1 9 . 1 1 22 22 LEU N N 22 129.332 129.332 127.233 2.099 19904 5608 1 9 . 1 1 22 22 LEU HA H 22 4.560 4.560 4.460 0.100 19904 5609 1 9 . 1 1 22 22 LEU C C 22 172.591 172.591 175.393 -2.802 19904 5610 1 9 . 1 1 22 22 LEU CA C 22 53.332 53.332 52.425 0.907 19904 5611 1 9 . 1 1 22 22 LEU CB C 22 41.996 41.996 39.961 2.035 19904 5612 1 9 . 1 1 22 22 LEU H H 22 8.292 8.292 8.097 0.195 19904 5613 1 9 . 1 1 23 23 ALA N N 23 125.266 125.266 125.145 0.121 19904 5614 1 9 . 1 1 23 23 ALA HA H 23 4.174 4.174 4.883 -0.709 19904 5615 1 9 . 1 1 23 23 ALA C C 23 176.009 176.009 175.392 0.617 19904 5616 1 9 . 1 1 23 23 ALA CA C 23 50.357 50.357 49.436 0.921 19904 5617 1 9 . 1 1 23 23 ALA CB C 23 18.298 18.298 20.298 -2.000 19904 5618 1 9 . 1 1 23 23 ALA H H 23 7.521 7.521 7.445 0.076 19904 5619 1 9 . 1 1 24 24 PRO HA H 24 4.406 4.406 4.392 0.014 19904 5620 1 9 . 1 1 24 24 PRO C C 24 175.951 175.951 176.675 -0.724 19904 5621 1 9 . 1 1 24 24 PRO CA C 24 64.918 64.918 64.552 0.366 19904 5622 1 9 . 1 1 24 24 PRO CB C 24 31.480 31.480 32.098 -0.618 19904 5623 1 9 . 1 1 25 25 ARG N N 25 113.570 113.570 118.695 -5.125 19904 5624 1 9 . 1 1 25 25 ARG HA H 25 3.997 3.997 4.363 -0.366 19904 5625 1 9 . 1 1 25 25 ARG C C 25 173.076 173.076 176.794 -3.718 19904 5626 1 9 . 1 1 25 25 ARG CA C 25 57.993 57.993 57.056 0.937 19904 5627 1 9 . 1 1 25 25 ARG CB C 25 29.623 29.623 29.681 -0.058 19904 5628 1 9 . 1 1 25 25 ARG H H 25 7.997 7.997 8.376 -0.379 19904 5629 1 9 . 1 1 26 26 ASN N N 26 118.698 118.698 116.965 1.733 19904 5630 1 9 . 1 1 26 26 ASN HA H 26 4.684 4.684 4.796 -0.112 19904 5631 1 9 . 1 1 26 26 ASN C C 26 171.211 171.211 173.972 -2.761 19904 5632 1 9 . 1 1 26 26 ASN CA C 26 51.481 51.481 52.228 -0.747 19904 5633 1 9 . 1 1 26 26 ASN CB C 26 36.343 36.343 39.157 -2.814 19904 5634 1 9 . 1 1 26 26 ASN H H 26 7.314 7.314 8.303 -0.989 19904 5635 1 9 . 1 1 27 27 LYS N N 27 122.069 122.069 119.977 2.092 19904 5636 1 9 . 1 1 27 27 LYS HA H 27 3.545 3.545 4.120 -0.575 19904 5637 1 9 . 1 1 27 27 LYS C C 27 175.308 175.308 177.602 -2.294 19904 5638 1 9 . 1 1 27 27 LYS CA C 27 58.932 58.932 58.206 0.726 19904 5639 1 9 . 1 1 27 27 LYS CB C 27 32.223 32.223 31.727 0.496 19904 5640 1 9 . 1 1 27 27 LYS H H 27 6.739 6.739 7.769 -1.030 19904 5641 1 9 . 1 1 28 28 GLY N N 28 115.186 115.186 111.366 3.820 19904 5642 1 9 . 1 1 28 28 GLY C C 28 172.044 172.044 173.954 -1.910 19904 5643 1 9 . 1 1 28 28 GLY CA C 28 44.167 44.167 44.708 -0.541 19904 5644 1 9 . 1 1 28 28 GLY H H 28 9.170 9.170 8.864 0.306 19904 5645 1 9 . 1 1 29 29 GLU N N 29 123.612 123.612 122.465 1.147 19904 5646 1 9 . 1 1 29 29 GLU HA H 29 3.988 3.988 4.412 -0.424 19904 5647 1 9 . 1 1 29 29 GLU C C 29 173.511 173.511 175.122 -1.611 19904 5648 1 9 . 1 1 29 29 GLU CA C 29 57.456 57.456 55.974 1.482 19904 5649 1 9 . 1 1 29 29 GLU CB C 29 29.848 29.848 30.782 -0.934 19904 5650 1 9 . 1 1 29 29 GLU H H 29 8.247 8.247 7.806 0.441 19904 5651 1 9 . 1 1 30 30 LYS N N 30 127.143 127.143 124.004 3.139 19904 5652 1 9 . 1 1 30 30 LYS HA H 30 4.136 4.136 4.517 -0.381 19904 5653 1 9 . 1 1 30 30 LYS C C 30 173.356 173.356 175.338 -1.982 19904 5654 1 9 . 1 1 30 30 LYS CA C 30 57.006 57.006 55.250 1.756 19904 5655 1 9 . 1 1 30 30 LYS CB C 30 32.352 32.352 35.529 -3.177 19904 5656 1 9 . 1 1 30 30 LYS H H 30 8.580 8.580 8.217 0.363 19904 5657 1 9 . 1 1 31 31 ILE N N 31 125.431 125.431 121.500 3.931 19904 5658 1 9 . 1 1 31 31 ILE HA H 31 4.126 4.126 4.365 -0.239 19904 5659 1 9 . 1 1 31 31 ILE C C 31 172.968 172.968 175.777 -2.809 19904 5660 1 9 . 1 1 31 31 ILE CA C 31 58.365 58.365 60.993 -2.628 19904 5661 1 9 . 1 1 31 31 ILE CB C 31 35.846 35.846 39.734 -3.888 19904 5662 1 9 . 1 1 31 31 ILE H H 31 8.136 8.136 8.516 -0.380 19904 5663 1 9 . 1 1 32 32 THR N N 32 116.000 116.000 121.406 -5.406 19904 5664 1 9 . 1 1 32 32 THR HA H 32 4.391 4.391 4.505 -0.114 19904 5665 1 9 . 1 1 32 32 THR C C 32 172.242 172.242 174.345 -2.103 19904 5666 1 9 . 1 1 32 32 THR CA C 32 60.626 60.626 60.925 -0.299 19904 5667 1 9 . 1 1 32 32 THR CB C 32 69.692 69.692 69.276 0.416 19904 5668 1 9 . 1 1 32 32 THR H H 32 8.501 8.501 8.407 0.094 19904 5669 1 9 . 1 1 33 33 ARG N N 33 122.696 122.696 121.103 1.593 19904 5670 1 9 . 1 1 33 33 ARG HA H 33 4.516 4.516 4.337 0.179 19904 5671 1 9 . 1 1 33 33 ARG C C 33 171.016 171.016 176.299 -5.283 19904 5672 1 9 . 1 1 33 33 ARG CA C 33 55.200 55.200 56.282 -1.083 19904 5673 1 9 . 1 1 33 33 ARG CB C 33 29.990 29.990 31.183 -1.193 19904 5674 1 9 . 1 1 33 33 ARG H H 33 7.156 7.156 7.882 -0.726 19904 5675 1 9 . 1 1 34 34 SER N N 34 117.773 117.773 113.409 4.364 19904 5676 1 9 . 1 1 34 34 SER HA H 34 4.536 4.536 5.089 -0.553 19904 5677 1 9 . 1 1 34 34 SER C C 34 172.654 172.654 175.511 -2.857 19904 5678 1 9 . 1 1 34 34 SER CA C 34 57.072 57.072 56.596 0.475 19904 5679 1 9 . 1 1 34 34 SER CB C 34 65.763 65.763 65.492 0.271 19904 5680 1 9 . 1 1 34 34 SER H H 34 9.144 9.144 8.401 0.743 19904 5681 1 9 . 1 1 35 35 ARG N N 35 122.568 122.568 120.727 1.841 19904 5682 1 9 . 1 1 35 35 ARG HA H 35 3.362 3.362 3.952 -0.590 19904 5683 1 9 . 1 1 35 35 ARG C C 35 174.904 174.904 177.963 -3.059 19904 5684 1 9 . 1 1 35 35 ARG CA C 35 60.234 60.234 59.470 0.764 19904 5685 1 9 . 1 1 35 35 ARG CB C 35 29.363 29.363 29.423 -0.060 19904 5686 1 9 . 1 1 35 35 ARG H H 35 8.904 8.904 8.790 0.114 19904 5687 1 9 . 1 1 36 36 ALA N N 36 120.049 120.049 120.166 -0.117 19904 5688 1 9 . 1 1 36 36 ALA HA H 36 3.861 3.861 4.105 -0.244 19904 5689 1 9 . 1 1 36 36 ALA C C 36 177.495 177.495 179.591 -2.096 19904 5690 1 9 . 1 1 36 36 ALA CA C 36 54.849 54.849 54.582 0.267 19904 5691 1 9 . 1 1 36 36 ALA CB C 36 17.598 17.598 17.768 -0.170 19904 5692 1 9 . 1 1 36 36 ALA H H 36 8.120 8.120 8.539 -0.419 19904 5693 1 9 . 1 1 37 37 ASP N N 37 118.222 118.222 118.952 -0.730 19904 5694 1 9 . 1 1 37 37 ASP HA H 37 4.313 4.313 4.460 -0.147 19904 5695 1 9 . 1 1 37 37 ASP C C 37 176.547 176.547 178.018 -1.471 19904 5696 1 9 . 1 1 37 37 ASP CA C 37 56.653 56.653 57.091 -0.438 19904 5697 1 9 . 1 1 37 37 ASP CB C 37 40.656 40.656 41.262 -0.606 19904 5698 1 9 . 1 1 37 37 ASP H H 37 7.877 7.877 7.651 0.226 19904 5699 1 9 . 1 1 38 38 ALA N N 38 124.726 124.726 123.596 1.130 19904 5700 1 9 . 1 1 38 38 ALA HA H 38 3.928 3.928 3.929 -0.001 19904 5701 1 9 . 1 1 38 38 ALA C C 38 175.791 175.791 179.284 -3.493 19904 5702 1 9 . 1 1 38 38 ALA CA C 38 55.163 55.163 55.348 -0.185 19904 5703 1 9 . 1 1 38 38 ALA CB C 38 18.040 18.040 18.496 -0.456 19904 5704 1 9 . 1 1 38 38 ALA H H 38 8.269 8.269 7.391 0.878 19904 5705 1 9 . 1 1 39 39 ILE N N 39 119.010 119.010 117.777 1.233 19904 5706 1 9 . 1 1 39 39 ILE HA H 39 3.476 3.476 3.500 -0.024 19904 5707 1 9 . 1 1 39 39 ILE C C 39 175.129 175.129 178.020 -2.891 19904 5708 1 9 . 1 1 39 39 ILE CA C 39 65.121 65.121 66.068 -0.947 19904 5709 1 9 . 1 1 39 39 ILE CB C 39 37.411 37.411 37.620 -0.209 19904 5710 1 9 . 1 1 39 39 ILE H H 39 7.974 7.974 7.841 0.133 19904 5711 1 9 . 1 1 40 40 ASN N N 40 117.393 117.393 117.106 0.287 19904 5712 1 9 . 1 1 40 40 ASN HA H 40 4.332 4.332 4.505 -0.173 19904 5713 1 9 . 1 1 40 40 ASN C C 40 175.608 175.608 177.422 -1.814 19904 5714 1 9 . 1 1 40 40 ASN CA C 40 55.865 55.865 55.806 0.059 19904 5715 1 9 . 1 1 40 40 ASN CB C 40 37.589 37.589 38.686 -1.097 19904 5716 1 9 . 1 1 40 40 ASN H H 40 8.122 8.122 7.627 0.495 19904 5717 1 9 . 1 1 41 41 LEU N N 41 123.846 123.846 122.302 1.544 19904 5718 1 9 . 1 1 41 41 LEU HA H 41 4.127 4.127 3.674 0.453 19904 5719 1 9 . 1 1 41 41 LEU C C 41 175.147 175.147 177.376 -2.229 19904 5720 1 9 . 1 1 41 41 LEU CA C 41 57.816 57.816 57.876 -0.060 19904 5721 1 9 . 1 1 41 41 LEU CB C 41 41.589 41.589 41.386 0.203 19904 5722 1 9 . 1 1 41 41 LEU H H 41 8.220 8.220 7.475 0.745 19904 5723 1 9 . 1 1 42 42 ALA N N 42 120.677 120.677 119.670 1.007 19904 5724 1 9 . 1 1 42 42 ALA HA H 42 3.763 3.763 3.702 0.061 19904 5725 1 9 . 1 1 42 42 ALA C C 42 176.512 176.512 179.696 -3.184 19904 5726 1 9 . 1 1 42 42 ALA CA C 42 55.411 55.411 55.330 0.081 19904 5727 1 9 . 1 1 42 42 ALA CB C 42 17.619 17.619 18.112 -0.493 19904 5728 1 9 . 1 1 42 42 ALA H H 42 7.959 7.959 7.669 0.290 19904 5729 1 9 . 1 1 43 43 GLN N N 43 114.196 114.196 116.974 -2.778 19904 5730 1 9 . 1 1 43 43 GLN HA H 43 3.963 3.963 4.025 -0.062 19904 5731 1 9 . 1 1 43 43 GLN C C 43 176.189 176.189 178.474 -2.285 19904 5732 1 9 . 1 1 43 43 GLN CA C 43 58.629 58.629 58.401 0.228 19904 5733 1 9 . 1 1 43 43 GLN CB C 43 27.777 27.777 28.643 -0.866 19904 5734 1 9 . 1 1 43 43 GLN H H 43 8.275 8.275 7.626 0.649 19904 5735 1 9 . 1 1 44 44 ALA N N 44 124.632 124.632 122.503 2.129 19904 5736 1 9 . 1 1 44 44 ALA HA H 44 4.092 4.092 4.023 0.069 19904 5737 1 9 . 1 1 44 44 ALA C C 44 178.108 178.108 179.291 -1.183 19904 5738 1 9 . 1 1 44 44 ALA CA C 44 54.752 54.752 54.676 0.076 19904 5739 1 9 . 1 1 44 44 ALA CB C 44 17.241 17.241 18.479 -1.238 19904 5740 1 9 . 1 1 44 44 ALA H H 44 8.134 8.134 7.798 0.336 19904 5741 1 9 . 1 1 45 45 ILE N N 45 120.659 120.659 118.691 1.968 19904 5742 1 9 . 1 1 45 45 ILE HA H 45 3.323 3.323 3.683 -0.360 19904 5743 1 9 . 1 1 45 45 ILE C C 45 176.240 176.240 178.475 -2.235 19904 5744 1 9 . 1 1 45 45 ILE CA C 45 65.254 65.254 65.460 -0.206 19904 5745 1 9 . 1 1 45 45 ILE CB C 45 37.531 37.531 37.997 -0.466 19904 5746 1 9 . 1 1 45 45 ILE H H 45 7.970 7.970 8.053 -0.083 19904 5747 1 9 . 1 1 46 46 LEU N N 46 117.950 117.950 117.792 0.158 19904 5748 1 9 . 1 1 46 46 LEU HA H 46 4.223 4.223 4.340 -0.117 19904 5749 1 9 . 1 1 46 46 LEU C C 46 177.868 177.868 177.712 0.156 19904 5750 1 9 . 1 1 46 46 LEU CA C 46 57.585 57.585 57.901 -0.316 19904 5751 1 9 . 1 1 46 46 LEU CB C 46 41.627 41.627 41.088 0.539 19904 5752 1 9 . 1 1 46 46 LEU H H 46 7.360 7.360 7.544 -0.184 19904 5753 1 9 . 1 1 47 47 ALA N N 47 120.942 120.942 118.988 1.954 19904 5754 1 9 . 1 1 47 47 ALA HA H 47 4.072 4.072 4.381 -0.309 19904 5755 1 9 . 1 1 47 47 ALA C C 47 176.501 176.501 179.310 -2.809 19904 5756 1 9 . 1 1 47 47 ALA CA C 47 53.869 53.869 53.144 0.725 19904 5757 1 9 . 1 1 47 47 ALA CB C 47 17.600 17.600 18.029 -0.429 19904 5758 1 9 . 1 1 47 47 ALA H H 47 8.135 8.135 7.167 0.968 19904 5759 1 9 . 1 1 48 48 GLN N N 48 116.773 116.773 118.317 -1.544 19904 5760 1 9 . 1 1 48 48 GLN HA H 48 3.947 3.947 4.180 -0.233 19904 5761 1 9 . 1 1 48 48 GLN C C 48 173.703 173.703 176.840 -3.137 19904 5762 1 9 . 1 1 48 48 GLN CA C 48 57.455 57.455 57.709 -0.254 19904 5763 1 9 . 1 1 48 48 GLN CB C 48 27.999 27.999 28.705 -0.706 19904 5764 1 9 . 1 1 48 48 GLN H H 48 7.615 7.615 8.160 -0.545 19904 5765 1 9 . 1 1 49 49 HIS N N 49 116.736 116.736 116.186 0.550 19904 5766 1 9 . 1 1 49 49 HIS HA H 49 4.686 4.686 4.503 0.183 19904 5767 1 9 . 1 1 49 49 HIS C C 49 172.191 172.191 173.845 -1.654 19904 5768 1 9 . 1 1 49 49 HIS CA C 49 53.597 53.597 52.435 1.162 19904 5769 1 9 . 1 1 49 49 HIS CB C 49 28.298 28.298 26.798 1.500 19904 5770 1 9 . 1 1 49 49 HIS H H 49 7.373 7.373 7.764 -0.391 19904 5771 1 9 . 1 1 50 50 LYS N N 50 119.417 119.417 122.698 -3.281 19904 5772 1 9 . 1 1 50 50 LYS HA H 50 4.048 4.048 4.091 -0.043 19904 5773 1 9 . 1 1 50 50 LYS C C 50 174.041 174.041 176.717 -2.676 19904 5774 1 9 . 1 1 50 50 LYS CA C 50 58.207 58.207 57.500 0.707 19904 5775 1 9 . 1 1 50 50 LYS CB C 50 31.869 31.869 31.637 0.232 19904 5776 1 9 . 1 1 50 50 LYS H H 50 7.494 7.494 7.609 -0.115 19904 5777 1 9 . 1 1 51 51 GLU N N 51 117.754 117.754 120.206 -2.452 19904 5778 1 9 . 1 1 51 51 GLU HA H 51 4.097 4.097 3.839 0.258 19904 5779 1 9 . 1 1 51 51 GLU C C 51 173.337 173.337 175.449 -2.112 19904 5780 1 9 . 1 1 51 51 GLU CA C 51 57.273 57.273 57.421 -0.148 19904 5781 1 9 . 1 1 51 51 GLU CB C 51 28.391 28.391 27.182 1.209 19904 5782 1 9 . 1 1 51 51 GLU H H 51 8.916 8.916 8.683 0.233 19904 5783 1 9 . 1 1 52 52 ARG N N 52 118.808 118.808 116.123 2.685 19904 5784 1 9 . 1 1 52 52 ARG HA H 52 4.511 4.511 4.404 0.106 19904 5785 1 9 . 1 1 52 52 ARG C C 52 172.824 172.824 173.653 -0.829 19904 5786 1 9 . 1 1 52 52 ARG CA C 52 55.657 55.657 54.852 0.805 19904 5787 1 9 . 1 1 52 52 ARG CB C 52 31.484 31.484 31.619 -0.135 19904 5788 1 9 . 1 1 52 52 ARG H H 52 7.708 7.708 7.650 0.058 19904 5789 1 9 . 1 1 53 53 LYS N N 53 121.953 121.953 120.657 1.296 19904 5790 1 9 . 1 1 53 53 LYS HA H 53 4.502 4.502 4.753 -0.251 19904 5791 1 9 . 1 1 53 53 LYS C C 53 173.892 173.892 174.816 -0.924 19904 5792 1 9 . 1 1 53 53 LYS CA C 53 56.580 56.580 56.736 -0.156 19904 5793 1 9 . 1 1 53 53 LYS CB C 53 32.659 32.659 33.004 -0.345 19904 5794 1 9 . 1 1 53 53 LYS H H 53 8.698 8.698 8.517 0.181 19904 5795 1 9 . 1 1 54 54 THR N N 54 109.590 109.590 112.854 -3.264 19904 5796 1 9 . 1 1 54 54 THR HA H 54 4.925 4.925 5.037 -0.112 19904 5797 1 9 . 1 1 54 54 THR C C 54 171.619 171.619 173.817 -2.198 19904 5798 1 9 . 1 1 54 54 THR CA C 54 59.929 59.929 60.941 -1.012 19904 5799 1 9 . 1 1 54 54 THR CB C 54 70.010 70.010 70.870 -0.860 19904 5800 1 9 . 1 1 54 54 THR H H 54 7.485 7.485 7.798 -0.313 19904 5801 1 9 . 1 1 55 55 TRP N N 55 125.280 125.280 126.137 -0.857 19904 5802 1 9 . 1 1 55 55 TRP HA H 55 4.994 4.994 4.965 0.029 19904 5803 1 9 . 1 1 55 55 TRP C C 55 174.476 174.476 176.303 -1.827 19904 5804 1 9 . 1 1 55 55 TRP CA C 55 55.069 55.069 56.747 -1.678 19904 5805 1 9 . 1 1 55 55 TRP CB C 55 31.112 31.112 31.037 0.075 19904 5806 1 9 . 1 1 55 55 TRP H H 55 9.334 9.334 8.427 0.907 19904 5807 1 9 . 1 1 56 56 SER N N 56 122.007 122.007 116.414 5.593 19904 5808 1 9 . 1 1 56 56 SER HA H 56 4.681 4.681 4.693 -0.012 19904 5809 1 9 . 1 1 56 56 SER C C 56 172.033 172.033 175.806 -3.773 19904 5810 1 9 . 1 1 56 56 SER CA C 56 56.530 56.530 57.053 -0.524 19904 5811 1 9 . 1 1 56 56 SER CB C 56 65.129 65.129 65.342 -0.213 19904 5812 1 9 . 1 1 56 56 SER H H 56 9.350 9.350 8.564 0.786 19904 5813 1 9 . 1 1 57 57 LEU N N 57 123.899 123.899 122.174 1.725 19904 5814 1 9 . 1 1 57 57 LEU HA H 57 3.895 3.895 4.951 -1.056 19904 5815 1 9 . 1 1 57 57 LEU C C 57 175.734 175.734 178.686 -2.952 19904 5816 1 9 . 1 1 57 57 LEU CA C 57 58.307 58.307 57.508 0.799 19904 5817 1 9 . 1 1 57 57 LEU CB C 57 40.951 40.951 41.860 -0.909 19904 5818 1 9 . 1 1 57 57 LEU H H 57 8.828 8.828 8.713 0.115 19904 5819 1 9 . 1 1 58 58 ASP N N 58 115.249 115.249 117.247 -1.998 19904 5820 1 9 . 1 1 58 58 ASP HA H 58 4.183 4.183 4.538 -0.355 19904 5821 1 9 . 1 1 58 58 ASP C C 58 176.605 176.605 177.773 -1.168 19904 5822 1 9 . 1 1 58 58 ASP CA C 58 57.043 57.043 56.469 0.574 19904 5823 1 9 . 1 1 58 58 ASP CB C 58 40.308 40.308 41.295 -0.987 19904 5824 1 9 . 1 1 58 58 ASP H H 58 8.229 8.229 8.288 -0.059 19904 5825 1 9 . 1 1 59 59 GLU N N 59 118.743 118.743 119.656 -0.913 19904 5826 1 9 . 1 1 59 59 GLU HA H 59 3.912 3.912 4.301 -0.389 19904 5827 1 9 . 1 1 59 59 GLU C C 59 176.819 176.819 178.114 -1.295 19904 5828 1 9 . 1 1 59 59 GLU CA C 59 58.459 58.459 58.639 -0.180 19904 5829 1 9 . 1 1 59 59 GLU CB C 59 30.086 30.086 29.964 0.122 19904 5830 1 9 . 1 1 59 59 GLU H H 59 7.589 7.589 7.678 -0.089 19904 5831 1 9 . 1 1 60 60 PHE N N 60 121.809 121.809 120.157 1.652 19904 5832 1 9 . 1 1 60 60 PHE HA H 60 4.147 4.147 4.046 0.101 19904 5833 1 9 . 1 1 60 60 PHE C C 60 174.448 174.448 177.732 -3.284 19904 5834 1 9 . 1 1 60 60 PHE CA C 60 62.439 62.439 61.843 0.596 19904 5835 1 9 . 1 1 60 60 PHE CB C 60 38.980 38.980 39.148 -0.168 19904 5836 1 9 . 1 1 60 60 PHE H H 60 8.055 8.055 7.747 0.308 19904 5837 1 9 . 1 1 61 61 VAL N N 61 118.759 118.759 115.300 3.459 19904 5838 1 9 . 1 1 61 61 VAL HA H 61 3.465 3.465 3.610 -0.145 19904 5839 1 9 . 1 1 61 61 VAL C C 61 175.119 175.119 177.894 -2.775 19904 5840 1 9 . 1 1 61 61 VAL CA C 61 66.454 66.454 65.924 0.530 19904 5841 1 9 . 1 1 61 61 VAL CB C 61 31.345 31.345 31.469 -0.124 19904 5842 1 9 . 1 1 61 61 VAL H H 61 9.098 9.098 7.691 1.407 19904 5843 1 9 . 1 1 62 62 GLN N N 62 117.732 117.732 118.180 -0.448 19904 5844 1 9 . 1 1 62 62 GLN HA H 62 3.762 3.762 4.133 -0.371 19904 5845 1 9 . 1 1 62 62 GLN C C 62 172.363 172.363 177.577 -5.214 19904 5846 1 9 . 1 1 62 62 GLN CA C 62 59.025 59.025 58.297 0.728 19904 5847 1 9 . 1 1 62 62 GLN CB C 62 27.967 27.967 28.632 -0.665 19904 5848 1 9 . 1 1 62 62 GLN H H 62 7.462 7.462 7.864 -0.402 19904 5849 1 9 . 1 1 63 63 VAL N N 63 113.433 113.433 117.619 -4.186 19904 5850 1 9 . 1 1 63 63 VAL HA H 63 4.147 4.147 3.741 0.406 19904 5851 1 9 . 1 1 63 63 VAL C C 63 176.157 176.157 177.785 -1.628 19904 5852 1 9 . 1 1 63 63 VAL CA C 63 64.982 64.982 64.330 0.652 19904 5853 1 9 . 1 1 63 63 VAL CB C 63 30.895 30.895 31.872 -0.977 19904 5854 1 9 . 1 1 63 63 VAL H H 63 6.895 6.895 7.611 -0.716 19904 5855 1 9 . 1 1 64 64 VAL N N 64 122.958 122.958 121.075 1.883 19904 5856 1 9 . 1 1 64 64 VAL HA H 64 3.307 3.307 3.646 -0.339 19904 5857 1 9 . 1 1 64 64 VAL C C 64 176.891 176.891 178.185 -1.294 19904 5858 1 9 . 1 1 64 64 VAL CA C 64 66.872 66.872 66.693 0.179 19904 5859 1 9 . 1 1 64 64 VAL CB C 64 31.240 31.240 31.517 -0.277 19904 5860 1 9 . 1 1 64 64 VAL H H 64 7.908 7.908 8.106 -0.198 19904 5861 1 9 . 1 1 65 65 ARG N N 65 118.898 118.898 118.958 -0.060 19904 5862 1 9 . 1 1 65 65 ARG HA H 65 3.754 3.754 4.059 -0.305 19904 5863 1 9 . 1 1 65 65 ARG C C 65 175.082 175.082 176.610 -1.528 19904 5864 1 9 . 1 1 65 65 ARG CA C 65 59.710 59.710 57.728 1.982 19904 5865 1 9 . 1 1 65 65 ARG CB C 65 29.819 29.819 29.784 0.035 19904 5866 1 9 . 1 1 65 65 ARG H H 65 8.459 8.459 7.297 1.162 19904 5867 1 9 . 1 1 66 66 ASP N N 66 115.125 115.125 116.138 -1.013 19904 5868 1 9 . 1 1 66 66 ASP HA H 66 4.326 4.326 4.283 0.043 19904 5869 1 9 . 1 1 66 66 ASP C C 66 174.721 174.721 175.730 -1.009 19904 5870 1 9 . 1 1 66 66 ASP CA C 66 55.771 55.771 55.339 0.432 19904 5871 1 9 . 1 1 66 66 ASP CB C 66 41.983 41.983 40.720 1.263 19904 5872 1 9 . 1 1 66 66 ASP H H 66 7.446 7.446 8.102 -0.656 19904 5873 1 9 . 1 1 67 67 PHE N N 67 111.221 111.221 116.319 -5.098 19904 5874 1 9 . 1 1 67 67 PHE HA H 67 4.691 4.691 4.654 0.037 19904 5875 1 9 . 1 1 67 67 PHE C C 67 174.114 174.114 176.057 -1.943 19904 5876 1 9 . 1 1 67 67 PHE CA C 67 58.940 58.940 57.044 1.896 19904 5877 1 9 . 1 1 67 67 PHE CB C 67 42.781 42.781 40.432 2.349 19904 5878 1 9 . 1 1 67 67 PHE H H 67 8.044 8.044 7.084 0.960 19904 5879 1 9 . 1 1 68 68 SER N N 68 110.726 110.726 117.818 -7.092 19904 5880 1 9 . 1 1 68 68 SER HA H 68 4.313 4.313 4.472 -0.159 19904 5881 1 9 . 1 1 68 68 SER C C 68 174.559 174.559 174.597 -0.038 19904 5882 1 9 . 1 1 68 68 SER CA C 68 58.905 58.905 59.559 -0.654 19904 5883 1 9 . 1 1 68 68 SER CB C 68 65.317 65.317 63.423 1.894 19904 5884 1 9 . 1 1 68 68 SER H H 68 8.462 8.462 7.900 0.562 19904 5885 1 9 . 1 1 69 69 GLU N N 69 126.213 126.213 128.999 -2.786 19904 5886 1 9 . 1 1 69 69 GLU HA H 69 4.650 4.650 4.619 0.031 19904 5887 1 9 . 1 1 69 69 GLU C C 69 172.201 172.201 175.322 -3.121 19904 5888 1 9 . 1 1 69 69 GLU CA C 69 55.493 55.493 55.692 -0.199 19904 5889 1 9 . 1 1 69 69 GLU CB C 69 29.575 29.575 30.629 -1.054 19904 5890 1 9 . 1 1 69 69 GLU H H 69 9.298 9.298 8.040 1.258 19904 5891 1 9 . 1 1 70 70 CYS N N 70 124.210 124.210 118.712 5.498 19904 5892 1 9 . 1 1 70 70 CYS HA H 70 4.310 4.310 4.953 -0.643 19904 5893 1 9 . 1 1 70 70 CYS C C 70 173.632 173.632 176.762 -3.130 19904 5894 1 9 . 1 1 70 70 CYS CA C 70 58.718 58.718 56.702 2.016 19904 5895 1 9 . 1 1 70 70 CYS CB C 70 30.055 30.055 31.524 -1.469 19904 5896 1 9 . 1 1 70 70 CYS H H 70 7.610 7.610 8.277 -0.667 19904 5897 1 9 . 1 1 71 71 GLY N N 71 118.767 118.767 109.093 9.674 19904 5898 1 9 . 1 1 71 71 GLY C C 71 174.447 174.447 175.969 -1.522 19904 5899 1 9 . 1 1 71 71 GLY CA C 71 47.313 47.313 46.849 0.464 19904 5900 1 9 . 1 1 71 71 GLY H H 71 8.712 8.712 8.859 -0.147 19904 5901 1 9 . 1 1 72 72 SER N N 72 123.624 123.624 117.191 6.433 19904 5902 1 9 . 1 1 72 72 SER HA H 72 4.146 4.146 4.343 -0.197 19904 5903 1 9 . 1 1 72 72 SER C C 72 175.737 175.737 175.558 0.179 19904 5904 1 9 . 1 1 72 72 SER CA C 72 61.353 61.353 58.572 2.781 19904 5905 1 9 . 1 1 72 72 SER CB C 72 62.668 62.668 62.892 -0.224 19904 5906 1 9 . 1 1 72 72 SER H H 72 10.436 10.436 7.732 2.704 19904 5907 1 9 . 1 1 73 73 ALA N N 73 128.994 128.994 125.623 3.371 19904 5908 1 9 . 1 1 73 73 ALA HA H 73 3.991 3.991 4.107 -0.116 19904 5909 1 9 . 1 1 73 73 ALA C C 73 176.885 176.885 178.915 -2.030 19904 5910 1 9 . 1 1 73 73 ALA CA C 73 55.115 55.115 54.819 0.296 19904 5911 1 9 . 1 1 73 73 ALA CB C 73 18.363 18.363 18.307 0.056 19904 5912 1 9 . 1 1 73 73 ALA H H 73 8.480 8.480 8.538 -0.058 19904 5913 1 9 . 1 1 74 74 LYS N N 74 119.815 119.815 118.109 1.706 19904 5914 1 9 . 1 1 74 74 LYS HA H 74 4.146 4.146 4.083 0.063 19904 5915 1 9 . 1 1 74 74 LYS C C 74 173.942 173.942 177.735 -3.793 19904 5916 1 9 . 1 1 74 74 LYS CA C 74 58.981 58.981 58.289 0.692 19904 5917 1 9 . 1 1 74 74 LYS CB C 74 32.424 32.424 32.630 -0.207 19904 5918 1 9 . 1 1 74 74 LYS H H 74 8.043 8.043 7.803 0.240 19904 5919 1 9 . 1 1 75 75 ARG N N 75 118.332 118.332 116.743 1.589 19904 5920 1 9 . 1 1 75 75 ARG HA H 75 4.742 4.742 4.562 0.180 19904 5921 1 9 . 1 1 75 75 ARG C C 75 173.269 173.269 175.479 -2.210 19904 5922 1 9 . 1 1 75 75 ARG CA C 75 54.048 54.048 54.912 -0.864 19904 5923 1 9 . 1 1 75 75 ARG CB C 75 28.796 28.796 29.759 -0.963 19904 5924 1 9 . 1 1 75 75 ARG H H 75 7.536 7.536 7.998 -0.462 19904 5925 1 9 . 1 1 76 76 ASP N N 76 115.890 115.890 117.655 -1.765 19904 5926 1 9 . 1 1 76 76 ASP HA H 76 4.310 4.310 4.273 0.037 19904 5927 1 9 . 1 1 76 76 ASP C C 76 169.530 169.530 175.877 -6.347 19904 5928 1 9 . 1 1 76 76 ASP CA C 76 56.876 56.876 55.474 1.402 19904 5929 1 9 . 1 1 76 76 ASP CB C 76 39.268 39.268 38.574 0.694 19904 5930 1 9 . 1 1 76 76 ASP H H 76 7.601 7.601 8.272 -0.671 19904 5931 1 9 . 1 1 77 77 GLY N N 77 100.656 100.656 106.462 -5.806 19904 5932 1 9 . 1 1 77 77 GLY C C 77 170.735 170.735 173.385 -2.650 19904 5933 1 9 . 1 1 77 77 GLY CA C 77 56.712 56.712 46.020 10.692 19904 5934 1 9 . 1 1 77 77 GLY H H 77 8.218 8.218 8.211 0.007 19904 5935 1 9 . 1 1 78 78 ASP N N 78 118.744 118.744 118.585 0.159 19904 5936 1 9 . 1 1 78 78 ASP HA H 78 3.085 3.085 4.885 -1.800 19904 5937 1 9 . 1 1 78 78 ASP C C 78 173.696 173.696 175.518 -1.822 19904 5938 1 9 . 1 1 78 78 ASP CA C 78 54.461 54.461 52.495 1.966 19904 5939 1 9 . 1 1 78 78 ASP CB C 78 41.330 41.330 42.161 -0.831 19904 5940 1 9 . 1 1 78 78 ASP H H 78 6.679 6.679 7.665 -0.986 19904 5941 1 9 . 1 1 79 79 LEU N N 79 127.557 127.557 124.289 3.268 19904 5942 1 9 . 1 1 79 79 LEU HA H 79 4.333 4.333 4.804 -0.471 19904 5943 1 9 . 1 1 79 79 LEU C C 79 175.311 175.311 177.131 -1.820 19904 5944 1 9 . 1 1 79 79 LEU CA C 79 54.093 54.093 54.158 -0.065 19904 5945 1 9 . 1 1 79 79 LEU CB C 79 41.896 41.896 42.188 -0.292 19904 5946 1 9 . 1 1 79 79 LEU H H 79 8.837 8.837 8.201 0.636 19904 5947 1 9 . 1 1 80 80 GLY N N 80 109.745 109.745 110.517 -0.772 19904 5948 1 9 . 1 1 80 80 GLY C C 80 169.506 169.506 173.900 -4.394 19904 5949 1 9 . 1 1 80 80 GLY CA C 80 44.467 44.467 43.858 0.610 19904 5950 1 9 . 1 1 80 80 GLY H H 80 8.744 8.744 8.334 0.410 19904 5951 1 9 . 1 1 81 81 MET N N 81 118.177 118.177 117.969 0.208 19904 5952 1 9 . 1 1 81 81 MET HA H 81 4.560 4.560 4.189 0.371 19904 5953 1 9 . 1 1 81 81 MET C C 81 173.929 173.929 175.529 -1.600 19904 5954 1 9 . 1 1 81 81 MET CA C 81 53.095 53.095 56.334 -3.239 19904 5955 1 9 . 1 1 81 81 MET CB C 81 29.720 29.720 31.692 -1.972 19904 5956 1 9 . 1 1 81 81 MET H H 81 7.894 7.894 8.007 -0.113 19904 5957 1 9 . 1 1 82 82 VAL N N 82 129.209 129.209 125.169 4.040 19904 5958 1 9 . 1 1 82 82 VAL HA H 82 4.257 4.257 4.609 -0.352 19904 5959 1 9 . 1 1 82 82 VAL C C 82 172.520 172.520 174.347 -1.827 19904 5960 1 9 . 1 1 82 82 VAL CA C 82 61.786 61.786 60.268 1.518 19904 5961 1 9 . 1 1 82 82 VAL CB C 82 33.979 33.979 34.876 -0.897 19904 5962 1 9 . 1 1 82 82 VAL H H 82 9.085 9.085 8.787 0.298 19904 5963 1 9 . 1 1 83 83 GLU N N 83 125.940 125.940 125.576 0.364 19904 5964 1 9 . 1 1 83 83 GLU HA H 83 4.949 4.949 5.093 -0.144 19904 5965 1 9 . 1 1 83 83 GLU C C 83 175.328 175.328 175.513 -0.185 19904 5966 1 9 . 1 1 83 83 GLU CA C 83 54.236 54.236 54.117 0.119 19904 5967 1 9 . 1 1 83 83 GLU CB C 83 31.344 31.344 33.219 -1.875 19904 5968 1 9 . 1 1 83 83 GLU H H 83 8.608 8.608 8.670 -0.062 19904 5969 1 9 . 1 1 84 84 SER N N 84 121.587 121.587 117.546 4.041 19904 5970 1 9 . 1 1 84 84 SER HA H 84 4.009 4.009 3.744 0.265 19904 5971 1 9 . 1 1 84 84 SER C C 84 172.341 172.341 174.954 -2.613 19904 5972 1 9 . 1 1 84 84 SER CA C 84 59.451 59.451 58.489 0.962 19904 5973 1 9 . 1 1 84 84 SER CB C 84 62.340 62.340 62.777 -0.437 19904 5974 1 9 . 1 1 84 84 SER H H 84 8.737 8.737 8.191 0.546 19904 5975 1 9 . 1 1 85 85 GLY N N 85 114.678 114.678 115.801 -1.123 19904 5976 1 9 . 1 1 85 85 GLY C C 85 172.501 172.501 174.879 -2.378 19904 5977 1 9 . 1 1 85 85 GLY CA C 85 45.190 45.190 45.360 -0.170 19904 5978 1 9 . 1 1 85 85 GLY H H 85 10.247 10.247 8.696 1.551 19904 5979 1 9 . 1 1 86 86 THR N N 86 117.468 117.468 116.583 0.885 19904 5980 1 9 . 1 1 86 86 THR HA H 86 4.026 4.026 4.352 -0.326 19904 5981 1 9 . 1 1 86 86 THR C C 86 172.415 172.415 175.659 -3.244 19904 5982 1 9 . 1 1 86 86 THR CA C 86 64.666 64.666 63.190 1.476 19904 5983 1 9 . 1 1 86 86 THR CB C 86 69.421 69.421 69.804 -0.383 19904 5984 1 9 . 1 1 86 86 THR H H 86 8.398 8.398 7.757 0.641 19904 5985 1 9 . 1 1 87 87 TYR N N 87 123.120 123.120 122.098 1.022 19904 5986 1 9 . 1 1 87 87 TYR HA H 87 4.355 4.355 4.307 0.048 19904 5987 1 9 . 1 1 87 87 TYR C C 87 172.035 172.035 175.839 -3.804 19904 5988 1 9 . 1 1 87 87 TYR CA C 87 57.361 57.361 58.658 -1.298 19904 5989 1 9 . 1 1 87 87 TYR CB C 87 38.651 38.651 38.687 -0.036 19904 5990 1 9 . 1 1 87 87 TYR H H 87 8.869 8.869 8.410 0.459 19904 5991 1 9 . 1 1 88 88 THR N N 88 109.212 109.212 111.899 -2.687 19904 5992 1 9 . 1 1 88 88 THR HA H 88 4.304 4.304 4.391 -0.087 19904 5993 1 9 . 1 1 88 88 THR C C 88 172.134 172.134 174.775 -2.641 19904 5994 1 9 . 1 1 88 88 THR CA C 88 61.468 61.468 61.131 0.337 19904 5995 1 9 . 1 1 88 88 THR CB C 88 70.553 70.553 70.097 0.456 19904 5996 1 9 . 1 1 88 88 THR H H 88 7.339 7.339 7.990 -0.651 19904 5997 1 9 . 1 1 89 89 GLU N N 89 122.460 122.460 123.287 -0.827 19904 5998 1 9 . 1 1 89 89 GLU HA H 89 4.058 4.058 3.811 0.247 19904 5999 1 9 . 1 1 89 89 GLU C C 89 175.844 175.844 177.702 -1.858 19904 6000 1 9 . 1 1 89 89 GLU CA C 89 59.853 59.853 58.876 0.977 19904 6001 1 9 . 1 1 89 89 GLU CB C 89 29.322 29.322 29.633 -0.311 19904 6002 1 9 . 1 1 89 89 GLU H H 89 8.819 8.819 8.556 0.263 19904 6003 1 9 . 1 1 90 90 GLY N N 90 107.861 107.861 112.979 -5.118 19904 6004 1 9 . 1 1 90 90 GLY C C 90 172.835 172.835 174.431 -1.596 19904 6005 1 9 . 1 1 90 90 GLY CA C 90 46.411 46.411 45.454 0.957 19904 6006 1 9 . 1 1 90 90 GLY H H 90 8.734 8.734 9.140 -0.406 19904 6007 1 9 . 1 1 91 91 PHE N N 91 120.792 120.792 122.861 -2.069 19904 6008 1 9 . 1 1 91 91 PHE HA H 91 3.691 3.691 4.450 -0.759 19904 6009 1 9 . 1 1 91 91 PHE C C 91 173.756 173.756 175.329 -1.573 19904 6010 1 9 . 1 1 91 91 PHE CA C 91 60.625 60.625 60.622 0.003 19904 6011 1 9 . 1 1 91 91 PHE CB C 91 39.869 39.869 40.318 -0.449 19904 6012 1 9 . 1 1 91 91 PHE H H 91 7.392 7.392 7.700 -0.308 19904 6013 1 9 . 1 1 92 92 ASP N N 92 119.990 119.990 117.995 1.995 19904 6014 1 9 . 1 1 92 92 ASP HA H 92 4.473 4.473 4.683 -0.210 19904 6015 1 9 . 1 1 92 92 ASP C C 92 176.108 176.108 178.753 -2.645 19904 6016 1 9 . 1 1 92 92 ASP CA C 92 57.792 57.792 57.278 0.514 19904 6017 1 9 . 1 1 92 92 ASP CB C 92 40.222 40.222 40.300 -0.078 19904 6018 1 9 . 1 1 92 92 ASP H H 92 8.339 8.339 8.223 0.116 19904 6019 1 9 . 1 1 93 93 THR N N 93 114.592 114.592 114.175 0.417 19904 6020 1 9 . 1 1 93 93 THR HA H 93 3.807 3.807 4.186 -0.379 19904 6021 1 9 . 1 1 93 93 THR C C 93 173.478 173.478 175.650 -2.172 19904 6022 1 9 . 1 1 93 93 THR CA C 93 66.000 66.000 64.856 1.144 19904 6023 1 9 . 1 1 93 93 THR CB C 93 68.763 68.763 69.016 -0.253 19904 6024 1 9 . 1 1 93 93 THR H H 93 8.609 8.609 8.245 0.364 19904 6025 1 9 . 1 1 94 94 VAL N N 94 118.669 118.669 119.979 -1.310 19904 6026 1 9 . 1 1 94 94 VAL HA H 94 3.688 3.688 4.079 -0.391 19904 6027 1 9 . 1 1 94 94 VAL C C 94 176.137 176.137 177.423 -1.286 19904 6028 1 9 . 1 1 94 94 VAL CA C 94 64.692 64.692 63.585 1.107 19904 6029 1 9 . 1 1 94 94 VAL CB C 94 32.207 32.207 31.737 0.470 19904 6030 1 9 . 1 1 94 94 VAL H H 94 6.772 6.772 7.334 -0.562 19904 6031 1 9 . 1 1 95 95 ALA N N 95 123.356 123.356 123.013 0.343 19904 6032 1 9 . 1 1 95 95 ALA HA H 95 3.128 3.128 3.729 -0.601 19904 6033 1 9 . 1 1 95 95 ALA C C 95 177.254 177.254 178.171 -0.917 19904 6034 1 9 . 1 1 95 95 ALA CA C 95 55.202 55.202 54.842 0.360 19904 6035 1 9 . 1 1 95 95 ALA CB C 95 17.905 17.905 17.983 -0.078 19904 6036 1 9 . 1 1 95 95 ALA H H 95 8.890 8.890 8.145 0.745 19904 6037 1 9 . 1 1 96 96 PHE N N 96 111.667 111.667 113.586 -1.919 19904 6038 1 9 . 1 1 96 96 PHE HA H 96 4.170 4.170 4.622 -0.452 19904 6039 1 9 . 1 1 96 96 PHE C C 96 171.898 171.898 177.443 -5.545 19904 6040 1 9 . 1 1 96 96 PHE CA C 96 61.633 61.633 58.653 2.980 19904 6041 1 9 . 1 1 96 96 PHE CB C 96 36.448 36.448 39.181 -2.733 19904 6042 1 9 . 1 1 96 96 PHE H H 96 8.431 8.431 7.832 0.599 19904 6043 1 9 . 1 1 97 97 SER N N 97 113.144 113.144 116.379 -3.235 19904 6044 1 9 . 1 1 97 97 SER HA H 97 4.635 4.635 4.518 0.117 19904 6045 1 9 . 1 1 97 97 SER C C 97 172.020 172.020 175.011 -2.991 19904 6046 1 9 . 1 1 97 97 SER CA C 97 58.521 58.521 59.906 -1.385 19904 6047 1 9 . 1 1 97 97 SER CB C 97 64.820 64.820 63.913 0.907 19904 6048 1 9 . 1 1 97 97 SER H H 97 7.348 7.348 7.735 -0.387 19904 6049 1 9 . 1 1 98 98 LEU N N 98 121.390 121.390 120.911 0.479 19904 6050 1 9 . 1 1 98 98 LEU HA H 98 4.131 4.131 4.152 -0.021 19904 6051 1 9 . 1 1 98 98 LEU C C 98 175.754 175.754 176.655 -0.901 19904 6052 1 9 . 1 1 98 98 LEU CA C 98 55.059 55.059 55.435 -0.376 19904 6053 1 9 . 1 1 98 98 LEU CB C 98 42.757 42.757 41.742 1.015 19904 6054 1 9 . 1 1 98 98 LEU H H 98 6.790 6.790 7.940 -1.150 19904 6055 1 9 . 1 1 99 99 LYS N N 99 124.409 124.409 119.494 4.915 19904 6056 1 9 . 1 1 99 99 LYS HA H 99 4.245 4.245 4.332 -0.087 19904 6057 1 9 . 1 1 99 99 LYS C C 99 173.517 173.517 176.258 -2.741 19904 6058 1 9 . 1 1 99 99 LYS CA C 99 55.439 55.439 55.501 -0.062 19904 6059 1 9 . 1 1 99 99 LYS CB C 99 32.792 32.792 33.792 -1.000 19904 6060 1 9 . 1 1 99 99 LYS H H 99 9.086 9.086 8.412 0.674 19904 6061 1 9 . 1 1 100 100 SER N N 100 115.642 115.642 115.176 0.466 19904 6062 1 9 . 1 1 100 100 SER HA H 100 3.294 3.294 4.135 -0.841 19904 6063 1 9 . 1 1 100 100 SER C C 100 172.722 172.722 175.575 -2.853 19904 6064 1 9 . 1 1 100 100 SER CA C 100 60.816 60.816 60.764 0.052 19904 6065 1 9 . 1 1 100 100 SER CB C 100 62.342 62.342 63.066 -0.724 19904 6066 1 9 . 1 1 100 100 SER H H 100 8.469 8.469 8.432 0.037 19904 6067 1 9 . 1 1 101 101 GLY N N 101 114.871 114.871 113.579 1.292 19904 6068 1 9 . 1 1 101 101 GLY C C 101 169.465 169.465 173.251 -3.786 19904 6069 1 9 . 1 1 101 101 GLY CA C 101 45.415 45.415 45.484 -0.069 19904 6070 1 9 . 1 1 101 101 GLY H H 101 8.486 8.486 8.559 -0.073 19904 6071 1 9 . 1 1 102 102 GLU N N 102 119.387 119.387 117.287 2.100 19904 6072 1 9 . 1 1 102 102 GLU HA H 102 4.742 4.742 4.863 -0.121 19904 6073 1 9 . 1 1 102 102 GLU C C 102 171.675 171.675 174.697 -3.022 19904 6074 1 9 . 1 1 102 102 GLU CA C 102 55.276 55.276 54.578 0.698 19904 6075 1 9 . 1 1 102 102 GLU CB C 102 32.307 32.307 34.428 -2.121 19904 6076 1 9 . 1 1 102 102 GLU H H 102 7.594 7.594 7.599 -0.005 19904 6077 1 9 . 1 1 103 103 VAL N N 103 119.700 119.700 121.728 -2.028 19904 6078 1 9 . 1 1 103 103 VAL HA H 103 4.836 4.836 4.298 0.538 19904 6079 1 9 . 1 1 103 103 VAL C C 103 173.611 173.611 176.019 -2.408 19904 6080 1 9 . 1 1 103 103 VAL CA C 103 58.953 58.953 61.421 -2.468 19904 6081 1 9 . 1 1 103 103 VAL CB C 103 33.653 33.653 33.796 -0.143 19904 6082 1 9 . 1 1 103 103 VAL H H 103 7.884 7.884 8.578 -0.694 19904 6083 1 9 . 1 1 104 104 SER N N 104 123.705 123.705 123.950 -0.245 19904 6084 1 9 . 1 1 104 104 SER HA H 104 4.045 4.045 4.460 -0.415 19904 6085 1 9 . 1 1 104 104 SER C C 104 170.420 170.420 174.473 -4.053 19904 6086 1 9 . 1 1 104 104 SER CA C 104 58.515 58.515 57.711 0.804 19904 6087 1 9 . 1 1 104 104 SER CB C 104 66.400 66.400 63.891 2.509 19904 6088 1 9 . 1 1 104 104 SER H H 104 9.056 9.056 8.688 0.368 19904 6089 1 9 . 1 1 105 105 ALA N N 105 117.355 117.355 122.818 -5.463 19904 6090 1 9 . 1 1 105 105 ALA HA H 105 4.395 4.395 4.325 0.070 19904 6091 1 9 . 1 1 105 105 ALA C C 105 172.593 172.593 176.411 -3.818 19904 6092 1 9 . 1 1 105 105 ALA CA C 105 51.112 51.112 51.251 -0.139 19904 6093 1 9 . 1 1 105 105 ALA CB C 105 16.566 16.566 18.011 -1.445 19904 6094 1 9 . 1 1 105 105 ALA H H 105 7.269 7.269 8.335 -1.066 19904 6095 1 9 . 1 1 106 106 PRO HA H 106 4.684 4.684 4.325 0.359 19904 6096 1 9 . 1 1 106 106 PRO C C 106 174.527 174.527 175.663 -1.136 19904 6097 1 9 . 1 1 106 106 PRO CA C 106 63.191 63.191 62.633 0.558 19904 6098 1 9 . 1 1 106 106 PRO CB C 106 30.197 30.197 30.712 -0.514 19904 6099 1 9 . 1 1 107 107 VAL N N 107 124.996 124.996 125.048 -0.052 19904 6100 1 9 . 1 1 107 107 VAL HA H 107 4.410 4.410 4.070 0.340 19904 6101 1 9 . 1 1 107 107 VAL C C 107 171.642 171.642 175.630 -3.988 19904 6102 1 9 . 1 1 107 107 VAL CA C 107 60.030 60.030 62.975 -2.945 19904 6103 1 9 . 1 1 107 107 VAL CB C 107 34.707 34.707 32.895 1.812 19904 6104 1 9 . 1 1 107 107 VAL H H 107 8.969 8.969 7.950 1.019 19904 6105 1 9 . 1 1 108 108 GLU N N 108 128.257 128.257 127.351 0.906 19904 6106 1 9 . 1 1 108 108 GLU HA H 108 5.188 5.188 5.051 0.137 19904 6107 1 9 . 1 1 108 108 GLU C C 108 173.786 173.786 175.402 -1.616 19904 6108 1 9 . 1 1 108 108 GLU CA C 108 56.033 56.033 55.367 0.666 19904 6109 1 9 . 1 1 108 108 GLU CB C 108 31.648 31.648 32.965 -1.317 19904 6110 1 9 . 1 1 108 108 GLU H H 108 8.971 8.971 8.642 0.329 19904 6111 1 9 . 1 1 109 109 THR N N 109 115.774 115.774 120.052 -4.278 19904 6112 1 9 . 1 1 109 109 THR HA H 109 4.828 4.828 4.810 0.018 19904 6113 1 9 . 1 1 109 109 THR C C 109 173.458 173.458 174.494 -1.036 19904 6114 1 9 . 1 1 109 109 THR CA C 109 61.175 61.175 60.246 0.929 19904 6115 1 9 . 1 1 109 109 THR CB C 109 72.651 72.651 71.009 1.642 19904 6116 1 9 . 1 1 109 109 THR H H 109 9.378 9.378 8.733 0.645 19904 6117 1 9 . 1 1 110 110 GLU N N 110 118.681 118.681 120.255 -1.574 19904 6118 1 9 . 1 1 110 110 GLU HA H 110 4.354 4.354 4.108 0.246 19904 6119 1 9 . 1 1 110 110 GLU C C 110 174.619 174.619 177.604 -2.985 19904 6120 1 9 . 1 1 110 110 GLU CA C 110 58.130 58.130 58.538 -0.408 19904 6121 1 9 . 1 1 110 110 GLU CB C 110 28.500 28.500 29.145 -0.645 19904 6122 1 9 . 1 1 110 110 GLU H H 110 9.445 9.445 8.852 0.593 19904 6123 1 9 . 1 1 111 111 LEU N N 111 118.396 118.396 118.471 -0.075 19904 6124 1 9 . 1 1 111 111 LEU HA H 111 4.235 4.235 4.406 -0.171 19904 6125 1 9 . 1 1 111 111 LEU C C 111 173.650 173.650 177.500 -3.850 19904 6126 1 9 . 1 1 111 111 LEU CA C 111 55.074 55.074 55.830 -0.756 19904 6127 1 9 . 1 1 111 111 LEU CB C 111 41.376 41.376 42.611 -1.235 19904 6128 1 9 . 1 1 111 111 LEU H H 111 8.849 8.849 7.803 1.046 19904 6129 1 9 . 1 1 112 112 GLY N N 112 103.523 103.523 102.929 0.594 19904 6130 1 9 . 1 1 112 112 GLY C C 112 166.641 166.641 172.070 -5.429 19904 6131 1 9 . 1 1 112 112 GLY CA C 112 43.820 43.820 45.204 -1.384 19904 6132 1 9 . 1 1 112 112 GLY H H 112 7.437 7.437 7.668 -0.231 19904 6133 1 9 . 1 1 113 113 VAL N N 113 121.766 121.766 121.647 0.119 19904 6134 1 9 . 1 1 113 113 VAL HA H 113 4.636 4.636 4.911 -0.275 19904 6135 1 9 . 1 1 113 113 VAL C C 113 171.516 171.516 175.670 -4.154 19904 6136 1 9 . 1 1 113 113 VAL CA C 113 61.125 61.125 61.886 -0.761 19904 6137 1 9 . 1 1 113 113 VAL CB C 113 32.510 32.510 32.119 0.391 19904 6138 1 9 . 1 1 113 113 VAL H H 113 8.870 8.870 8.296 0.574 19904 6139 1 9 . 1 1 114 114 HIS N N 114 125.383 125.383 127.304 -1.921 19904 6140 1 9 . 1 1 114 114 HIS HA H 114 5.669 5.669 5.658 0.011 19904 6141 1 9 . 1 1 114 114 HIS C C 114 174.524 174.524 173.953 0.571 19904 6142 1 9 . 1 1 114 114 HIS CA C 114 53.960 53.960 54.324 -0.364 19904 6143 1 9 . 1 1 114 114 HIS CB C 114 30.978 30.978 33.158 -2.180 19904 6144 1 9 . 1 1 114 114 HIS H H 114 9.850 9.850 9.248 0.602 19904 6145 1 9 . 1 1 115 115 LEU N N 115 117.609 117.609 123.293 -5.684 19904 6146 1 9 . 1 1 115 115 LEU HA H 115 4.330 4.330 4.640 -0.310 19904 6147 1 9 . 1 1 115 115 LEU C C 115 172.779 172.779 175.150 -2.371 19904 6148 1 9 . 1 1 115 115 LEU CA C 115 54.545 54.545 54.727 -0.182 19904 6149 1 9 . 1 1 115 115 LEU CB C 115 43.651 43.651 44.490 -0.839 19904 6150 1 9 . 1 1 115 115 LEU H H 115 8.459 8.459 8.334 0.125 19904 6151 1 9 . 1 1 116 116 ILE N N 116 124.233 124.233 124.567 -0.334 19904 6152 1 9 . 1 1 116 116 ILE HA H 116 4.391 4.391 4.901 -0.510 19904 6153 1 9 . 1 1 116 116 ILE C C 116 169.528 169.528 174.173 -4.645 19904 6154 1 9 . 1 1 116 116 ILE CA C 116 60.408 60.408 59.075 1.333 19904 6155 1 9 . 1 1 116 116 ILE CB C 116 40.360 40.360 39.705 0.655 19904 6156 1 9 . 1 1 116 116 ILE H H 116 8.597 8.597 8.067 0.530 19904 6157 1 9 . 1 1 117 117 TYR N N 117 126.661 126.661 121.626 5.035 19904 6158 1 9 . 1 1 117 117 TYR HA H 117 5.020 5.020 4.921 0.099 19904 6159 1 9 . 1 1 117 117 TYR C C 117 171.915 171.915 172.554 -0.639 19904 6160 1 9 . 1 1 117 117 TYR CA C 117 54.073 54.073 55.616 -1.543 19904 6161 1 9 . 1 1 117 117 TYR CB C 117 40.842 40.842 41.208 -0.366 19904 6162 1 9 . 1 1 117 117 TYR H H 117 8.646 8.646 7.670 0.976 19904 6163 1 9 . 1 1 118 118 ARG N N 118 126.514 126.514 122.775 3.739 19904 6164 1 9 . 1 1 118 118 ARG HA H 118 4.686 4.686 4.312 0.374 19904 6165 1 9 . 1 1 118 118 ARG C C 118 171.048 171.048 173.713 -2.665 19904 6166 1 9 . 1 1 118 118 ARG CA C 118 54.269 54.269 54.439 -0.170 19904 6167 1 9 . 1 1 118 118 ARG CB C 118 30.628 30.628 31.794 -1.166 19904 6168 1 9 . 1 1 118 118 ARG H H 118 7.162 7.162 7.960 -0.798 19904 6169 1 9 . 1 1 119 119 VAL N N 119 124.856 124.856 123.572 1.284 19904 6170 1 9 . 1 1 119 119 VAL HA H 119 3.446 3.446 4.175 -0.729 19904 6171 1 9 . 1 1 119 119 VAL C C 119 171.576 171.576 175.065 -3.489 19904 6172 1 9 . 1 1 119 119 VAL CA C 119 62.315 62.315 58.592 3.723 19904 6173 1 9 . 1 1 119 119 VAL CB C 119 32.676 32.676 34.009 -1.333 19904 6174 1 9 . 1 1 119 119 VAL H H 119 7.418 7.418 7.944 -0.526 19904 6175 1 10 . 1 1 2 2 THR N N 2 114.985 114.985 113.141 1.844 19904 6176 1 10 . 1 1 2 2 THR HA H 2 4.233 4.233 4.550 -0.317 19904 6177 1 10 . 1 1 2 2 THR C C 2 170.697 170.697 172.473 -1.776 19904 6178 1 10 . 1 1 2 2 THR CA C 2 61.775 61.775 61.706 0.069 19904 6179 1 10 . 1 1 2 2 THR CB C 2 69.429 69.429 71.930 -2.501 19904 6180 1 10 . 1 1 2 2 THR H H 2 8.140 8.140 8.281 -0.141 19904 6181 1 10 . 1 1 3 3 GLU N N 3 121.736 121.736 120.853 0.883 19904 6182 1 10 . 1 1 3 3 GLU HA H 3 5.206 5.206 5.306 -0.100 19904 6183 1 10 . 1 1 3 3 GLU C C 3 173.028 173.028 175.888 -2.860 19904 6184 1 10 . 1 1 3 3 GLU CA C 3 54.900 54.900 55.111 -0.211 19904 6185 1 10 . 1 1 3 3 GLU CB C 3 31.659 31.659 31.632 0.027 19904 6186 1 10 . 1 1 3 3 GLU H H 3 8.108 8.108 8.515 -0.407 19904 6187 1 10 . 1 1 4 4 ARG N N 4 120.713 120.713 123.555 -2.842 19904 6188 1 10 . 1 1 4 4 ARG HA H 4 4.360 4.360 4.557 -0.197 19904 6189 1 10 . 1 1 4 4 ARG C C 4 170.103 170.103 173.710 -3.607 19904 6190 1 10 . 1 1 4 4 ARG CA C 4 53.816 53.816 53.943 -0.126 19904 6191 1 10 . 1 1 4 4 ARG CB C 4 35.162 35.162 33.452 1.710 19904 6192 1 10 . 1 1 4 4 ARG H H 4 8.309 8.309 8.560 -0.251 19904 6193 1 10 . 1 1 5 5 HIS N N 5 121.423 121.423 117.193 4.230 19904 6194 1 10 . 1 1 5 5 HIS HA H 5 5.197 5.197 4.784 0.413 19904 6195 1 10 . 1 1 5 5 HIS C C 5 170.917 170.917 173.214 -2.297 19904 6196 1 10 . 1 1 5 5 HIS CA C 5 52.151 52.151 54.003 -1.852 19904 6197 1 10 . 1 1 5 5 HIS CB C 5 29.920 29.920 30.396 -0.476 19904 6198 1 10 . 1 1 5 5 HIS H H 5 8.591 8.591 7.869 0.722 19904 6199 1 10 . 1 1 6 6 PHE N N 6 122.961 122.961 119.007 3.954 19904 6200 1 10 . 1 1 6 6 PHE HA H 6 6.042 6.042 4.434 1.608 19904 6201 1 10 . 1 1 6 6 PHE C C 6 171.599 171.599 173.049 -1.450 19904 6202 1 10 . 1 1 6 6 PHE CA C 6 55.284 55.284 54.694 0.590 19904 6203 1 10 . 1 1 6 6 PHE CB C 6 43.276 43.276 39.855 3.421 19904 6204 1 10 . 1 1 6 6 PHE H H 6 7.523 7.523 7.812 -0.289 19904 6205 1 10 . 1 1 7 7 TYR N N 7 119.822 119.822 117.083 2.739 19904 6206 1 10 . 1 1 7 7 TYR HA H 7 5.692 5.692 5.171 0.521 19904 6207 1 10 . 1 1 7 7 TYR C C 7 173.785 173.785 175.016 -1.231 19904 6208 1 10 . 1 1 7 7 TYR CA C 7 55.865 55.865 56.570 -0.705 19904 6209 1 10 . 1 1 7 7 TYR CB C 7 44.067 44.067 41.183 2.884 19904 6210 1 10 . 1 1 7 7 TYR H H 7 9.313 9.313 8.180 1.133 19904 6211 1 10 . 1 1 8 8 HIS N N 8 114.648 114.648 116.647 -1.999 19904 6212 1 10 . 1 1 8 8 HIS HA H 8 6.178 6.178 5.741 0.437 19904 6213 1 10 . 1 1 8 8 HIS C C 8 170.959 170.959 174.016 -3.057 19904 6214 1 10 . 1 1 8 8 HIS CA C 8 54.875 54.875 53.439 1.436 19904 6215 1 10 . 1 1 8 8 HIS CB C 8 36.453 36.453 34.251 2.203 19904 6216 1 10 . 1 1 8 8 HIS H H 8 9.369 9.369 8.570 0.799 19904 6217 1 10 . 1 1 9 9 VAL N N 9 120.650 120.650 119.195 1.455 19904 6218 1 10 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.946 -0.385 19904 6219 1 10 . 1 1 9 9 VAL C C 9 170.078 170.078 173.999 -3.921 19904 6220 1 10 . 1 1 9 9 VAL CA C 9 61.367 61.367 61.361 0.006 19904 6221 1 10 . 1 1 9 9 VAL CB C 9 34.926 34.926 34.429 0.497 19904 6222 1 10 . 1 1 9 9 VAL H H 9 8.936 8.936 8.079 0.857 19904 6223 1 10 . 1 1 10 10 LEU N N 10 125.870 125.870 129.598 -3.728 19904 6224 1 10 . 1 1 10 10 LEU HA H 10 4.614 4.614 5.082 -0.468 19904 6225 1 10 . 1 1 10 10 LEU C C 10 171.186 171.186 175.113 -3.927 19904 6226 1 10 . 1 1 10 10 LEU CA C 10 52.217 52.217 53.511 -1.294 19904 6227 1 10 . 1 1 10 10 LEU CB C 10 46.523 46.523 43.671 2.852 19904 6228 1 10 . 1 1 10 10 LEU H H 10 7.452 7.452 8.785 -1.333 19904 6229 1 10 . 1 1 11 11 VAL N N 11 128.355 128.355 125.816 2.539 19904 6230 1 10 . 1 1 11 11 VAL HA H 11 4.086 4.086 4.427 -0.341 19904 6231 1 10 . 1 1 11 11 VAL C C 11 173.155 173.155 174.499 -1.344 19904 6232 1 10 . 1 1 11 11 VAL CA C 11 61.124 61.124 61.943 -0.819 19904 6233 1 10 . 1 1 11 11 VAL CB C 11 32.522 32.522 33.816 -1.294 19904 6234 1 10 . 1 1 11 11 VAL H H 11 9.422 9.422 8.817 0.605 19904 6235 1 10 . 1 1 12 12 LYS N N 12 123.610 123.610 128.059 -4.449 19904 6236 1 10 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.506 -0.291 19904 6237 1 10 . 1 1 12 12 LYS C C 12 170.645 170.645 174.645 -4.000 19904 6238 1 10 . 1 1 12 12 LYS CA C 12 56.259 56.259 55.971 0.288 19904 6239 1 10 . 1 1 12 12 LYS CB C 12 34.702 34.702 34.382 0.320 19904 6240 1 10 . 1 1 12 12 LYS H H 12 9.071 9.071 8.731 0.340 19904 6241 1 10 . 1 1 13 13 HIS N N 13 110.414 110.414 116.212 -5.798 19904 6242 1 10 . 1 1 13 13 HIS HA H 13 4.396 4.396 4.739 -0.343 19904 6243 1 10 . 1 1 13 13 HIS C C 13 172.651 172.651 174.730 -2.079 19904 6244 1 10 . 1 1 13 13 HIS CA C 13 54.368 54.368 55.725 -1.357 19904 6245 1 10 . 1 1 13 13 HIS CB C 13 33.731 33.731 32.716 1.015 19904 6246 1 10 . 1 1 13 13 HIS H H 13 6.186 6.186 8.012 -1.826 19904 6247 1 10 . 1 1 14 14 LYS N N 14 115.373 115.373 120.754 -5.381 19904 6248 1 10 . 1 1 14 14 LYS HA H 14 4.074 4.074 4.005 0.069 19904 6249 1 10 . 1 1 14 14 LYS C C 14 172.860 172.860 176.533 -3.673 19904 6250 1 10 . 1 1 14 14 LYS CA C 14 58.131 58.131 57.252 0.879 19904 6251 1 10 . 1 1 14 14 LYS CB C 14 32.074 32.074 31.767 0.307 19904 6252 1 10 . 1 1 14 14 LYS H H 14 9.074 9.074 8.197 0.877 19904 6253 1 10 . 1 1 15 15 ASP N N 15 119.786 119.786 118.262 1.524 19904 6254 1 10 . 1 1 15 15 ASP HA H 15 5.117 5.117 4.564 0.553 19904 6255 1 10 . 1 1 15 15 ASP C C 15 173.969 173.969 176.854 -2.885 19904 6256 1 10 . 1 1 15 15 ASP CA C 15 54.644 54.644 54.105 0.539 19904 6257 1 10 . 1 1 15 15 ASP CB C 15 41.772 41.772 41.428 0.344 19904 6258 1 10 . 1 1 15 15 ASP H H 15 8.951 8.951 7.244 1.707 19904 6259 1 10 . 1 1 16 16 VAL N N 16 113.297 113.297 117.875 -4.578 19904 6260 1 10 . 1 1 16 16 VAL HA H 16 4.353 4.353 4.008 0.345 19904 6261 1 10 . 1 1 16 16 VAL C C 16 172.635 172.635 176.339 -3.704 19904 6262 1 10 . 1 1 16 16 VAL CA C 16 60.510 60.510 61.770 -1.260 19904 6263 1 10 . 1 1 16 16 VAL CB C 16 31.450 31.450 32.253 -0.803 19904 6264 1 10 . 1 1 16 16 VAL H H 16 6.826 6.826 7.365 -0.539 19904 6265 1 10 . 1 1 17 17 ARG N N 17 119.898 119.898 120.129 -0.231 19904 6266 1 10 . 1 1 17 17 ARG HA H 17 3.990 3.990 4.173 -0.183 19904 6267 1 10 . 1 1 17 17 ARG C C 17 174.690 174.690 177.140 -2.450 19904 6268 1 10 . 1 1 17 17 ARG CA C 17 58.501 58.501 58.285 0.216 19904 6269 1 10 . 1 1 17 17 ARG CB C 17 29.664 29.664 30.517 -0.853 19904 6270 1 10 . 1 1 17 17 ARG H H 17 8.305 8.305 8.405 -0.100 19904 6271 1 10 . 1 1 18 18 ARG N N 18 116.580 116.580 117.403 -0.823 19904 6272 1 10 . 1 1 18 18 ARG HA H 18 4.643 4.643 4.763 -0.120 19904 6273 1 10 . 1 1 18 18 ARG C C 18 171.330 171.330 174.295 -2.965 19904 6274 1 10 . 1 1 18 18 ARG CA C 18 53.059 53.059 54.147 -1.088 19904 6275 1 10 . 1 1 18 18 ARG CB C 18 29.538 29.538 30.056 -0.518 19904 6276 1 10 . 1 1 18 18 ARG H H 18 8.304 8.304 8.274 0.030 19904 6277 1 10 . 1 1 19 19 PRO HA H 19 4.177 4.177 4.442 -0.265 19904 6278 1 10 . 1 1 19 19 PRO C C 19 171.575 171.575 176.958 -5.383 19904 6279 1 10 . 1 1 19 19 PRO CA C 19 62.693 62.693 63.482 -0.789 19904 6280 1 10 . 1 1 19 19 PRO CB C 19 27.756 27.756 32.097 -4.341 19904 6281 1 10 . 1 1 20 20 SER N N 20 119.112 119.112 115.108 4.004 19904 6282 1 10 . 1 1 20 20 SER HA H 20 5.172 5.172 4.503 0.669 19904 6283 1 10 . 1 1 20 20 SER C C 20 171.036 171.036 173.672 -2.636 19904 6284 1 10 . 1 1 20 20 SER CA C 20 56.630 56.630 58.196 -1.566 19904 6285 1 10 . 1 1 20 20 SER CB C 20 65.310 65.310 63.870 1.440 19904 6286 1 10 . 1 1 20 20 SER H H 20 8.587 8.587 8.013 0.574 19904 6287 1 10 . 1 1 21 21 SER N N 21 116.758 116.758 118.961 -2.203 19904 6288 1 10 . 1 1 21 21 SER HA H 21 4.448 4.448 4.578 -0.130 19904 6289 1 10 . 1 1 21 21 SER C C 21 173.204 173.204 172.745 0.459 19904 6290 1 10 . 1 1 21 21 SER CA C 21 57.984 57.984 57.806 0.178 19904 6291 1 10 . 1 1 21 21 SER CB C 21 63.579 63.579 63.420 0.158 19904 6292 1 10 . 1 1 21 21 SER H H 21 9.000 9.000 8.409 0.591 19904 6293 1 10 . 1 1 22 22 LEU N N 22 129.332 129.332 125.712 3.620 19904 6294 1 10 . 1 1 22 22 LEU HA H 22 4.560 4.560 4.566 -0.006 19904 6295 1 10 . 1 1 22 22 LEU C C 22 172.591 172.591 176.203 -3.612 19904 6296 1 10 . 1 1 22 22 LEU CA C 22 53.332 53.332 52.441 0.891 19904 6297 1 10 . 1 1 22 22 LEU CB C 22 41.996 41.996 39.589 2.408 19904 6298 1 10 . 1 1 22 22 LEU H H 22 8.292 8.292 8.621 -0.329 19904 6299 1 10 . 1 1 23 23 ALA N N 23 125.266 125.266 126.282 -1.016 19904 6300 1 10 . 1 1 23 23 ALA HA H 23 4.174 4.174 4.807 -0.633 19904 6301 1 10 . 1 1 23 23 ALA C C 23 176.009 176.009 176.069 -0.060 19904 6302 1 10 . 1 1 23 23 ALA CA C 23 50.357 50.357 49.735 0.622 19904 6303 1 10 . 1 1 23 23 ALA CB C 23 18.298 18.298 19.361 -1.063 19904 6304 1 10 . 1 1 23 23 ALA H H 23 7.521 7.521 7.595 -0.074 19904 6305 1 10 . 1 1 24 24 PRO HA H 24 4.406 4.406 4.392 0.014 19904 6306 1 10 . 1 1 24 24 PRO C C 24 175.951 175.951 177.086 -1.135 19904 6307 1 10 . 1 1 24 24 PRO CA C 24 64.918 64.918 64.493 0.425 19904 6308 1 10 . 1 1 24 24 PRO CB C 24 31.480 31.480 31.924 -0.444 19904 6309 1 10 . 1 1 25 25 ARG N N 25 113.570 113.570 118.329 -4.759 19904 6310 1 10 . 1 1 25 25 ARG HA H 25 3.997 3.997 4.377 -0.380 19904 6311 1 10 . 1 1 25 25 ARG C C 25 173.076 173.076 176.203 -3.127 19904 6312 1 10 . 1 1 25 25 ARG CA C 25 57.993 57.993 56.941 1.052 19904 6313 1 10 . 1 1 25 25 ARG CB C 25 29.623 29.623 29.858 -0.235 19904 6314 1 10 . 1 1 25 25 ARG H H 25 7.997 7.997 8.334 -0.337 19904 6315 1 10 . 1 1 26 26 ASN N N 26 118.698 118.698 118.255 0.443 19904 6316 1 10 . 1 1 26 26 ASN HA H 26 4.684 4.684 4.877 -0.193 19904 6317 1 10 . 1 1 26 26 ASN C C 26 171.211 171.211 173.664 -2.453 19904 6318 1 10 . 1 1 26 26 ASN CA C 26 51.481 51.481 51.801 -0.320 19904 6319 1 10 . 1 1 26 26 ASN CB C 26 36.343 36.343 38.327 -1.984 19904 6320 1 10 . 1 1 26 26 ASN H H 26 7.314 7.314 8.168 -0.854 19904 6321 1 10 . 1 1 27 27 LYS N N 27 122.069 122.069 119.911 2.158 19904 6322 1 10 . 1 1 27 27 LYS HA H 27 3.545 3.545 4.211 -0.666 19904 6323 1 10 . 1 1 27 27 LYS C C 27 175.308 175.308 177.649 -2.341 19904 6324 1 10 . 1 1 27 27 LYS CA C 27 58.932 58.932 57.788 1.144 19904 6325 1 10 . 1 1 27 27 LYS CB C 27 32.223 32.223 32.152 0.071 19904 6326 1 10 . 1 1 27 27 LYS H H 27 6.739 6.739 7.730 -0.991 19904 6327 1 10 . 1 1 28 28 GLY N N 28 115.186 115.186 109.680 5.506 19904 6328 1 10 . 1 1 28 28 GLY C C 28 172.044 172.044 173.880 -1.836 19904 6329 1 10 . 1 1 28 28 GLY CA C 28 44.167 44.167 44.671 -0.504 19904 6330 1 10 . 1 1 28 28 GLY H H 28 9.170 9.170 8.586 0.584 19904 6331 1 10 . 1 1 29 29 GLU N N 29 123.612 123.612 122.441 1.171 19904 6332 1 10 . 1 1 29 29 GLU HA H 29 3.988 3.988 4.383 -0.395 19904 6333 1 10 . 1 1 29 29 GLU C C 29 173.511 173.511 175.155 -1.644 19904 6334 1 10 . 1 1 29 29 GLU CA C 29 57.456 57.456 56.073 1.383 19904 6335 1 10 . 1 1 29 29 GLU CB C 29 29.848 29.848 30.875 -1.028 19904 6336 1 10 . 1 1 29 29 GLU H H 29 8.247 8.247 7.811 0.436 19904 6337 1 10 . 1 1 30 30 LYS N N 30 127.143 127.143 124.446 2.697 19904 6338 1 10 . 1 1 30 30 LYS HA H 30 4.136 4.136 4.583 -0.447 19904 6339 1 10 . 1 1 30 30 LYS C C 30 173.356 173.356 175.510 -2.154 19904 6340 1 10 . 1 1 30 30 LYS CA C 30 57.006 57.006 55.191 1.815 19904 6341 1 10 . 1 1 30 30 LYS CB C 30 32.352 32.352 35.505 -3.153 19904 6342 1 10 . 1 1 30 30 LYS H H 30 8.580 8.580 8.362 0.218 19904 6343 1 10 . 1 1 31 31 ILE N N 31 125.431 125.431 123.840 1.591 19904 6344 1 10 . 1 1 31 31 ILE HA H 31 4.126 4.126 4.274 -0.148 19904 6345 1 10 . 1 1 31 31 ILE C C 31 172.968 172.968 176.169 -3.201 19904 6346 1 10 . 1 1 31 31 ILE CA C 31 58.365 58.365 61.019 -2.654 19904 6347 1 10 . 1 1 31 31 ILE CB C 31 35.846 35.846 38.379 -2.533 19904 6348 1 10 . 1 1 31 31 ILE H H 31 8.136 8.136 8.503 -0.367 19904 6349 1 10 . 1 1 32 32 THR N N 32 116.000 116.000 120.461 -4.461 19904 6350 1 10 . 1 1 32 32 THR HA H 32 4.391 4.391 4.429 -0.038 19904 6351 1 10 . 1 1 32 32 THR C C 32 172.242 172.242 175.142 -2.900 19904 6352 1 10 . 1 1 32 32 THR CA C 32 60.626 60.626 60.621 0.005 19904 6353 1 10 . 1 1 32 32 THR CB C 32 69.692 69.692 69.196 0.496 19904 6354 1 10 . 1 1 32 32 THR H H 32 8.501 8.501 8.549 -0.048 19904 6355 1 10 . 1 1 33 33 ARG N N 33 122.696 122.696 121.548 1.148 19904 6356 1 10 . 1 1 33 33 ARG HA H 33 4.516 4.516 4.395 0.121 19904 6357 1 10 . 1 1 33 33 ARG C C 33 171.016 171.016 175.940 -4.924 19904 6358 1 10 . 1 1 33 33 ARG CA C 33 55.200 55.200 56.470 -1.270 19904 6359 1 10 . 1 1 33 33 ARG CB C 33 29.990 29.990 30.908 -0.918 19904 6360 1 10 . 1 1 33 33 ARG H H 33 7.156 7.156 7.876 -0.720 19904 6361 1 10 . 1 1 34 34 SER N N 34 117.773 117.773 112.599 5.174 19904 6362 1 10 . 1 1 34 34 SER HA H 34 4.536 4.536 4.942 -0.406 19904 6363 1 10 . 1 1 34 34 SER C C 34 172.654 172.654 176.190 -3.536 19904 6364 1 10 . 1 1 34 34 SER CA C 34 57.072 57.072 56.609 0.463 19904 6365 1 10 . 1 1 34 34 SER CB C 34 65.763 65.763 64.506 1.257 19904 6366 1 10 . 1 1 34 34 SER H H 34 9.144 9.144 8.222 0.922 19904 6367 1 10 . 1 1 35 35 ARG N N 35 122.568 122.568 122.645 -0.077 19904 6368 1 10 . 1 1 35 35 ARG HA H 35 3.362 3.362 4.001 -0.639 19904 6369 1 10 . 1 1 35 35 ARG C C 35 174.904 174.904 177.521 -2.617 19904 6370 1 10 . 1 1 35 35 ARG CA C 35 60.234 60.234 59.126 1.109 19904 6371 1 10 . 1 1 35 35 ARG CB C 35 29.363 29.363 29.359 0.004 19904 6372 1 10 . 1 1 35 35 ARG H H 35 8.904 8.904 8.897 0.007 19904 6373 1 10 . 1 1 36 36 ALA N N 36 120.049 120.049 120.680 -0.631 19904 6374 1 10 . 1 1 36 36 ALA HA H 36 3.861 3.861 4.053 -0.192 19904 6375 1 10 . 1 1 36 36 ALA C C 36 177.495 177.495 179.479 -1.984 19904 6376 1 10 . 1 1 36 36 ALA CA C 36 54.849 54.849 54.386 0.463 19904 6377 1 10 . 1 1 36 36 ALA CB C 36 17.598 17.598 18.291 -0.693 19904 6378 1 10 . 1 1 36 36 ALA H H 36 8.120 8.120 8.338 -0.218 19904 6379 1 10 . 1 1 37 37 ASP N N 37 118.222 118.222 119.285 -1.063 19904 6380 1 10 . 1 1 37 37 ASP HA H 37 4.313 4.313 4.416 -0.103 19904 6381 1 10 . 1 1 37 37 ASP C C 37 176.547 176.547 178.039 -1.492 19904 6382 1 10 . 1 1 37 37 ASP CA C 37 56.653 56.653 57.370 -0.717 19904 6383 1 10 . 1 1 37 37 ASP CB C 37 40.656 40.656 40.781 -0.125 19904 6384 1 10 . 1 1 37 37 ASP H H 37 7.877 7.877 8.177 -0.300 19904 6385 1 10 . 1 1 38 38 ALA N N 38 124.726 124.726 122.619 2.107 19904 6386 1 10 . 1 1 38 38 ALA HA H 38 3.928 3.928 4.064 -0.136 19904 6387 1 10 . 1 1 38 38 ALA C C 38 175.791 175.791 179.634 -3.843 19904 6388 1 10 . 1 1 38 38 ALA CA C 38 55.163 55.163 54.896 0.267 19904 6389 1 10 . 1 1 38 38 ALA CB C 38 18.040 18.040 18.476 -0.436 19904 6390 1 10 . 1 1 38 38 ALA H H 38 8.269 8.269 7.407 0.862 19904 6391 1 10 . 1 1 39 39 ILE N N 39 119.010 119.010 117.678 1.332 19904 6392 1 10 . 1 1 39 39 ILE HA H 39 3.476 3.476 3.488 -0.012 19904 6393 1 10 . 1 1 39 39 ILE C C 39 175.129 175.129 178.075 -2.946 19904 6394 1 10 . 1 1 39 39 ILE CA C 39 65.121 65.121 66.050 -0.929 19904 6395 1 10 . 1 1 39 39 ILE CB C 39 37.411 37.411 37.698 -0.287 19904 6396 1 10 . 1 1 39 39 ILE H H 39 7.974 7.974 7.952 0.022 19904 6397 1 10 . 1 1 40 40 ASN N N 40 117.393 117.393 117.041 0.352 19904 6398 1 10 . 1 1 40 40 ASN HA H 40 4.332 4.332 4.513 -0.181 19904 6399 1 10 . 1 1 40 40 ASN C C 40 175.608 175.608 177.370 -1.762 19904 6400 1 10 . 1 1 40 40 ASN CA C 40 55.865 55.865 55.627 0.238 19904 6401 1 10 . 1 1 40 40 ASN CB C 40 37.589 37.589 38.735 -1.146 19904 6402 1 10 . 1 1 40 40 ASN H H 40 8.122 8.122 7.638 0.484 19904 6403 1 10 . 1 1 41 41 LEU N N 41 123.846 123.846 122.063 1.783 19904 6404 1 10 . 1 1 41 41 LEU HA H 41 4.127 4.127 3.655 0.472 19904 6405 1 10 . 1 1 41 41 LEU C C 41 175.147 175.147 177.601 -2.454 19904 6406 1 10 . 1 1 41 41 LEU CA C 41 57.816 57.816 57.818 -0.002 19904 6407 1 10 . 1 1 41 41 LEU CB C 41 41.589 41.589 41.377 0.212 19904 6408 1 10 . 1 1 41 41 LEU H H 41 8.220 8.220 7.364 0.856 19904 6409 1 10 . 1 1 42 42 ALA N N 42 120.677 120.677 119.262 1.415 19904 6410 1 10 . 1 1 42 42 ALA HA H 42 3.763 3.763 3.757 0.006 19904 6411 1 10 . 1 1 42 42 ALA C C 42 176.512 176.512 179.629 -3.117 19904 6412 1 10 . 1 1 42 42 ALA CA C 42 55.411 55.411 55.238 0.173 19904 6413 1 10 . 1 1 42 42 ALA CB C 42 17.619 17.619 18.190 -0.571 19904 6414 1 10 . 1 1 42 42 ALA H H 42 7.959 7.959 7.594 0.365 19904 6415 1 10 . 1 1 43 43 GLN N N 43 114.196 114.196 117.120 -2.924 19904 6416 1 10 . 1 1 43 43 GLN HA H 43 3.963 3.963 4.048 -0.085 19904 6417 1 10 . 1 1 43 43 GLN C C 43 176.189 176.189 178.458 -2.269 19904 6418 1 10 . 1 1 43 43 GLN CA C 43 58.629 58.629 58.371 0.258 19904 6419 1 10 . 1 1 43 43 GLN CB C 43 27.777 27.777 28.582 -0.805 19904 6420 1 10 . 1 1 43 43 GLN H H 43 8.275 8.275 7.657 0.618 19904 6421 1 10 . 1 1 44 44 ALA N N 44 124.632 124.632 122.248 2.384 19904 6422 1 10 . 1 1 44 44 ALA HA H 44 4.092 4.092 4.047 0.045 19904 6423 1 10 . 1 1 44 44 ALA C C 44 178.108 178.108 178.888 -0.780 19904 6424 1 10 . 1 1 44 44 ALA CA C 44 54.752 54.752 54.499 0.253 19904 6425 1 10 . 1 1 44 44 ALA CB C 44 17.241 17.241 18.511 -1.270 19904 6426 1 10 . 1 1 44 44 ALA H H 44 8.134 8.134 7.746 0.388 19904 6427 1 10 . 1 1 45 45 ILE N N 45 120.659 120.659 117.969 2.690 19904 6428 1 10 . 1 1 45 45 ILE HA H 45 3.323 3.323 3.748 -0.425 19904 6429 1 10 . 1 1 45 45 ILE C C 45 176.240 176.240 178.482 -2.242 19904 6430 1 10 . 1 1 45 45 ILE CA C 45 65.254 65.254 64.943 0.311 19904 6431 1 10 . 1 1 45 45 ILE CB C 45 37.531 37.531 38.109 -0.578 19904 6432 1 10 . 1 1 45 45 ILE H H 45 7.970 7.970 7.731 0.239 19904 6433 1 10 . 1 1 46 46 LEU N N 46 117.950 117.950 119.010 -1.060 19904 6434 1 10 . 1 1 46 46 LEU HA H 46 4.223 4.223 4.320 -0.097 19904 6435 1 10 . 1 1 46 46 LEU C C 46 177.868 177.868 177.579 0.289 19904 6436 1 10 . 1 1 46 46 LEU CA C 46 57.585 57.585 58.019 -0.434 19904 6437 1 10 . 1 1 46 46 LEU CB C 46 41.627 41.627 41.393 0.234 19904 6438 1 10 . 1 1 46 46 LEU H H 46 7.360 7.360 7.594 -0.234 19904 6439 1 10 . 1 1 47 47 ALA N N 47 120.942 120.942 116.844 4.098 19904 6440 1 10 . 1 1 47 47 ALA HA H 47 4.072 4.072 4.246 -0.174 19904 6441 1 10 . 1 1 47 47 ALA C C 47 176.501 176.501 178.254 -1.753 19904 6442 1 10 . 1 1 47 47 ALA CA C 47 53.869 53.869 52.728 1.141 19904 6443 1 10 . 1 1 47 47 ALA CB C 47 17.600 17.600 18.323 -0.723 19904 6444 1 10 . 1 1 47 47 ALA H H 47 8.135 8.135 7.161 0.974 19904 6445 1 10 . 1 1 48 48 GLN N N 48 116.773 116.773 115.621 1.152 19904 6446 1 10 . 1 1 48 48 GLN HA H 48 3.947 3.947 4.067 -0.120 19904 6447 1 10 . 1 1 48 48 GLN C C 48 173.703 173.703 177.181 -3.478 19904 6448 1 10 . 1 1 48 48 GLN CA C 48 57.455 57.455 56.338 1.117 19904 6449 1 10 . 1 1 48 48 GLN CB C 48 27.999 27.999 28.492 -0.493 19904 6450 1 10 . 1 1 48 48 GLN H H 48 7.615 7.615 7.790 -0.175 19904 6451 1 10 . 1 1 49 49 HIS N N 49 116.736 116.736 120.682 -3.946 19904 6452 1 10 . 1 1 49 49 HIS HA H 49 4.686 4.686 4.418 0.268 19904 6453 1 10 . 1 1 49 49 HIS C C 49 172.191 172.191 174.328 -2.137 19904 6454 1 10 . 1 1 49 49 HIS CA C 49 53.597 53.597 55.234 -1.637 19904 6455 1 10 . 1 1 49 49 HIS CB C 49 28.298 28.298 27.871 0.427 19904 6456 1 10 . 1 1 49 49 HIS H H 49 7.373 7.373 7.506 -0.133 19904 6457 1 10 . 1 1 50 50 LYS N N 50 119.417 119.417 122.879 -3.462 19904 6458 1 10 . 1 1 50 50 LYS HA H 50 4.048 4.048 4.214 -0.166 19904 6459 1 10 . 1 1 50 50 LYS C C 50 174.041 174.041 176.564 -2.523 19904 6460 1 10 . 1 1 50 50 LYS CA C 50 58.207 58.207 56.707 1.500 19904 6461 1 10 . 1 1 50 50 LYS CB C 50 31.869 31.869 31.333 0.536 19904 6462 1 10 . 1 1 50 50 LYS H H 50 7.494 7.494 7.891 -0.397 19904 6463 1 10 . 1 1 51 51 GLU N N 51 117.754 117.754 119.922 -2.168 19904 6464 1 10 . 1 1 51 51 GLU HA H 51 4.097 4.097 3.991 0.106 19904 6465 1 10 . 1 1 51 51 GLU C C 51 173.337 173.337 175.557 -2.220 19904 6466 1 10 . 1 1 51 51 GLU CA C 51 57.273 57.273 57.540 -0.267 19904 6467 1 10 . 1 1 51 51 GLU CB C 51 28.391 28.391 27.584 0.807 19904 6468 1 10 . 1 1 51 51 GLU H H 51 8.916 8.916 8.445 0.471 19904 6469 1 10 . 1 1 52 52 ARG N N 52 118.808 118.808 116.547 2.261 19904 6470 1 10 . 1 1 52 52 ARG HA H 52 4.511 4.511 4.485 0.026 19904 6471 1 10 . 1 1 52 52 ARG C C 52 172.824 172.824 174.133 -1.309 19904 6472 1 10 . 1 1 52 52 ARG CA C 52 55.657 55.657 55.150 0.507 19904 6473 1 10 . 1 1 52 52 ARG CB C 52 31.484 31.484 32.353 -0.869 19904 6474 1 10 . 1 1 52 52 ARG H H 52 7.708 7.708 7.628 0.080 19904 6475 1 10 . 1 1 53 53 LYS N N 53 121.953 121.953 121.046 0.907 19904 6476 1 10 . 1 1 53 53 LYS HA H 53 4.502 4.502 4.618 -0.116 19904 6477 1 10 . 1 1 53 53 LYS C C 53 173.892 173.892 175.063 -1.171 19904 6478 1 10 . 1 1 53 53 LYS CA C 53 56.580 56.580 55.542 1.038 19904 6479 1 10 . 1 1 53 53 LYS CB C 53 32.659 32.659 32.908 -0.249 19904 6480 1 10 . 1 1 53 53 LYS H H 53 8.698 8.698 8.510 0.188 19904 6481 1 10 . 1 1 54 54 THR N N 54 109.590 109.590 112.393 -2.803 19904 6482 1 10 . 1 1 54 54 THR HA H 54 4.925 4.925 4.930 -0.005 19904 6483 1 10 . 1 1 54 54 THR C C 54 171.619 171.619 173.413 -1.794 19904 6484 1 10 . 1 1 54 54 THR CA C 54 59.929 59.929 61.602 -1.673 19904 6485 1 10 . 1 1 54 54 THR CB C 54 70.010 70.010 69.933 0.077 19904 6486 1 10 . 1 1 54 54 THR H H 54 7.485 7.485 7.968 -0.483 19904 6487 1 10 . 1 1 55 55 TRP N N 55 125.280 125.280 127.372 -2.092 19904 6488 1 10 . 1 1 55 55 TRP HA H 55 4.994 4.994 4.698 0.296 19904 6489 1 10 . 1 1 55 55 TRP C C 55 174.476 174.476 176.572 -2.096 19904 6490 1 10 . 1 1 55 55 TRP CA C 55 55.069 55.069 57.378 -2.309 19904 6491 1 10 . 1 1 55 55 TRP CB C 55 31.112 31.112 30.831 0.281 19904 6492 1 10 . 1 1 55 55 TRP H H 55 9.334 9.334 8.511 0.823 19904 6493 1 10 . 1 1 56 56 SER N N 56 122.007 122.007 116.938 5.069 19904 6494 1 10 . 1 1 56 56 SER HA H 56 4.681 4.681 4.768 -0.087 19904 6495 1 10 . 1 1 56 56 SER C C 56 172.033 172.033 175.525 -3.492 19904 6496 1 10 . 1 1 56 56 SER CA C 56 56.530 56.530 57.319 -0.789 19904 6497 1 10 . 1 1 56 56 SER CB C 56 65.129 65.129 64.740 0.389 19904 6498 1 10 . 1 1 56 56 SER H H 56 9.350 9.350 8.594 0.756 19904 6499 1 10 . 1 1 57 57 LEU N N 57 123.899 123.899 123.524 0.375 19904 6500 1 10 . 1 1 57 57 LEU HA H 57 3.895 3.895 4.969 -1.074 19904 6501 1 10 . 1 1 57 57 LEU C C 57 175.734 175.734 178.649 -2.915 19904 6502 1 10 . 1 1 57 57 LEU CA C 57 58.307 58.307 57.649 0.658 19904 6503 1 10 . 1 1 57 57 LEU CB C 57 40.951 40.951 41.989 -1.038 19904 6504 1 10 . 1 1 57 57 LEU H H 57 8.828 8.828 8.703 0.125 19904 6505 1 10 . 1 1 58 58 ASP N N 58 115.249 115.249 117.668 -2.419 19904 6506 1 10 . 1 1 58 58 ASP HA H 58 4.183 4.183 4.617 -0.434 19904 6507 1 10 . 1 1 58 58 ASP C C 58 176.605 176.605 177.474 -0.869 19904 6508 1 10 . 1 1 58 58 ASP CA C 58 57.043 57.043 56.361 0.682 19904 6509 1 10 . 1 1 58 58 ASP CB C 58 40.308 40.308 40.841 -0.533 19904 6510 1 10 . 1 1 58 58 ASP H H 58 8.229 8.229 8.531 -0.302 19904 6511 1 10 . 1 1 59 59 GLU N N 59 118.743 118.743 120.143 -1.400 19904 6512 1 10 . 1 1 59 59 GLU HA H 59 3.912 3.912 4.276 -0.364 19904 6513 1 10 . 1 1 59 59 GLU C C 59 176.819 176.819 178.154 -1.335 19904 6514 1 10 . 1 1 59 59 GLU CA C 59 58.459 58.459 58.866 -0.407 19904 6515 1 10 . 1 1 59 59 GLU CB C 59 30.086 30.086 30.221 -0.135 19904 6516 1 10 . 1 1 59 59 GLU H H 59 7.589 7.589 7.858 -0.269 19904 6517 1 10 . 1 1 60 60 PHE N N 60 121.809 121.809 119.779 2.030 19904 6518 1 10 . 1 1 60 60 PHE HA H 60 4.147 4.147 3.954 0.193 19904 6519 1 10 . 1 1 60 60 PHE C C 60 174.448 174.448 177.758 -3.310 19904 6520 1 10 . 1 1 60 60 PHE CA C 60 62.439 62.439 61.771 0.668 19904 6521 1 10 . 1 1 60 60 PHE CB C 60 38.980 38.980 38.915 0.065 19904 6522 1 10 . 1 1 60 60 PHE H H 60 8.055 8.055 7.798 0.257 19904 6523 1 10 . 1 1 61 61 VAL N N 61 118.759 118.759 115.629 3.130 19904 6524 1 10 . 1 1 61 61 VAL HA H 61 3.465 3.465 3.646 -0.181 19904 6525 1 10 . 1 1 61 61 VAL C C 61 175.119 175.119 177.860 -2.741 19904 6526 1 10 . 1 1 61 61 VAL CA C 61 66.454 66.454 65.755 0.699 19904 6527 1 10 . 1 1 61 61 VAL CB C 61 31.345 31.345 31.020 0.324 19904 6528 1 10 . 1 1 61 61 VAL H H 61 9.098 9.098 7.739 1.359 19904 6529 1 10 . 1 1 62 62 GLN N N 62 117.732 117.732 115.990 1.742 19904 6530 1 10 . 1 1 62 62 GLN HA H 62 3.762 3.762 4.092 -0.330 19904 6531 1 10 . 1 1 62 62 GLN C C 62 172.363 172.363 176.802 -4.439 19904 6532 1 10 . 1 1 62 62 GLN CA C 62 59.025 59.025 57.698 1.327 19904 6533 1 10 . 1 1 62 62 GLN CB C 62 27.967 27.967 28.785 -0.818 19904 6534 1 10 . 1 1 62 62 GLN H H 62 7.462 7.462 7.652 -0.190 19904 6535 1 10 . 1 1 63 63 VAL N N 63 113.433 113.433 116.862 -3.429 19904 6536 1 10 . 1 1 63 63 VAL HA H 63 4.147 4.147 3.688 0.459 19904 6537 1 10 . 1 1 63 63 VAL C C 63 176.157 176.157 177.132 -0.975 19904 6538 1 10 . 1 1 63 63 VAL CA C 63 64.982 64.982 63.943 1.040 19904 6539 1 10 . 1 1 63 63 VAL CB C 63 30.895 30.895 31.495 -0.600 19904 6540 1 10 . 1 1 63 63 VAL H H 63 6.895 6.895 7.262 -0.367 19904 6541 1 10 . 1 1 64 64 VAL N N 64 122.958 122.958 120.416 2.542 19904 6542 1 10 . 1 1 64 64 VAL HA H 64 3.307 3.307 3.676 -0.369 19904 6543 1 10 . 1 1 64 64 VAL C C 64 176.891 176.891 178.241 -1.350 19904 6544 1 10 . 1 1 64 64 VAL CA C 64 66.872 66.872 65.693 1.179 19904 6545 1 10 . 1 1 64 64 VAL CB C 64 31.240 31.240 30.965 0.275 19904 6546 1 10 . 1 1 64 64 VAL H H 64 7.908 7.908 8.095 -0.187 19904 6547 1 10 . 1 1 65 65 ARG N N 65 118.898 118.898 117.891 1.007 19904 6548 1 10 . 1 1 65 65 ARG HA H 65 3.754 3.754 4.097 -0.343 19904 6549 1 10 . 1 1 65 65 ARG C C 65 175.082 175.082 176.202 -1.120 19904 6550 1 10 . 1 1 65 65 ARG CA C 65 59.710 59.710 58.091 1.619 19904 6551 1 10 . 1 1 65 65 ARG CB C 65 29.819 29.819 29.697 0.122 19904 6552 1 10 . 1 1 65 65 ARG H H 65 8.459 8.459 7.353 1.106 19904 6553 1 10 . 1 1 66 66 ASP N N 66 115.125 115.125 116.731 -1.606 19904 6554 1 10 . 1 1 66 66 ASP HA H 66 4.326 4.326 4.433 -0.107 19904 6555 1 10 . 1 1 66 66 ASP C C 66 174.721 174.721 174.880 -0.159 19904 6556 1 10 . 1 1 66 66 ASP CA C 66 55.771 55.771 55.694 0.077 19904 6557 1 10 . 1 1 66 66 ASP CB C 66 41.983 41.983 41.218 0.765 19904 6558 1 10 . 1 1 66 66 ASP H H 66 7.446 7.446 8.071 -0.625 19904 6559 1 10 . 1 1 67 67 PHE N N 67 111.221 111.221 115.035 -3.814 19904 6560 1 10 . 1 1 67 67 PHE HA H 67 4.691 4.691 4.655 0.036 19904 6561 1 10 . 1 1 67 67 PHE C C 67 174.114 174.114 175.693 -1.579 19904 6562 1 10 . 1 1 67 67 PHE CA C 67 58.940 58.940 56.893 2.047 19904 6563 1 10 . 1 1 67 67 PHE CB C 67 42.781 42.781 40.804 1.977 19904 6564 1 10 . 1 1 67 67 PHE H H 67 8.044 8.044 7.053 0.991 19904 6565 1 10 . 1 1 68 68 SER N N 68 110.726 110.726 117.381 -6.655 19904 6566 1 10 . 1 1 68 68 SER HA H 68 4.313 4.313 4.316 -0.003 19904 6567 1 10 . 1 1 68 68 SER C C 68 174.559 174.559 174.506 0.053 19904 6568 1 10 . 1 1 68 68 SER CA C 68 58.905 58.905 59.302 -0.397 19904 6569 1 10 . 1 1 68 68 SER CB C 68 65.317 65.317 63.467 1.850 19904 6570 1 10 . 1 1 68 68 SER H H 68 8.462 8.462 7.857 0.605 19904 6571 1 10 . 1 1 69 69 GLU N N 69 126.213 126.213 128.854 -2.641 19904 6572 1 10 . 1 1 69 69 GLU HA H 69 4.650 4.650 4.600 0.050 19904 6573 1 10 . 1 1 69 69 GLU C C 69 172.201 172.201 175.025 -2.824 19904 6574 1 10 . 1 1 69 69 GLU CA C 69 55.493 55.493 56.055 -0.562 19904 6575 1 10 . 1 1 69 69 GLU CB C 69 29.575 29.575 31.412 -1.837 19904 6576 1 10 . 1 1 69 69 GLU H H 69 9.298 9.298 8.437 0.861 19904 6577 1 10 . 1 1 70 70 CYS N N 70 124.210 124.210 121.031 3.179 19904 6578 1 10 . 1 1 70 70 CYS HA H 70 4.310 4.310 4.712 -0.402 19904 6579 1 10 . 1 1 70 70 CYS C C 70 173.632 173.632 176.360 -2.728 19904 6580 1 10 . 1 1 70 70 CYS CA C 70 58.718 58.718 57.453 1.265 19904 6581 1 10 . 1 1 70 70 CYS CB C 70 30.055 30.055 31.643 -1.588 19904 6582 1 10 . 1 1 70 70 CYS H H 70 7.610 7.610 8.322 -0.712 19904 6583 1 10 . 1 1 71 71 GLY N N 71 118.767 118.767 110.387 8.380 19904 6584 1 10 . 1 1 71 71 GLY C C 71 174.447 174.447 175.572 -1.125 19904 6585 1 10 . 1 1 71 71 GLY CA C 71 47.313 47.313 47.569 -0.257 19904 6586 1 10 . 1 1 71 71 GLY H H 71 8.712 8.712 8.777 -0.065 19904 6587 1 10 . 1 1 72 72 SER N N 72 123.624 123.624 118.097 5.527 19904 6588 1 10 . 1 1 72 72 SER HA H 72 4.146 4.146 4.411 -0.265 19904 6589 1 10 . 1 1 72 72 SER C C 72 175.737 175.737 175.664 0.073 19904 6590 1 10 . 1 1 72 72 SER CA C 72 61.353 61.353 59.477 1.876 19904 6591 1 10 . 1 1 72 72 SER CB C 72 62.668 62.668 62.444 0.224 19904 6592 1 10 . 1 1 72 72 SER H H 72 10.436 10.436 8.190 2.246 19904 6593 1 10 . 1 1 73 73 ALA N N 73 128.994 128.994 125.780 3.214 19904 6594 1 10 . 1 1 73 73 ALA HA H 73 3.991 3.991 3.932 0.059 19904 6595 1 10 . 1 1 73 73 ALA C C 73 176.885 176.885 178.929 -2.044 19904 6596 1 10 . 1 1 73 73 ALA CA C 73 55.115 55.115 55.098 0.017 19904 6597 1 10 . 1 1 73 73 ALA CB C 73 18.363 18.363 18.174 0.189 19904 6598 1 10 . 1 1 73 73 ALA H H 73 8.480 8.480 8.567 -0.087 19904 6599 1 10 . 1 1 74 74 LYS N N 74 119.815 119.815 116.710 3.105 19904 6600 1 10 . 1 1 74 74 LYS HA H 74 4.146 4.146 4.039 0.107 19904 6601 1 10 . 1 1 74 74 LYS C C 74 173.942 173.942 177.874 -3.932 19904 6602 1 10 . 1 1 74 74 LYS CA C 74 58.981 58.981 58.782 0.199 19904 6603 1 10 . 1 1 74 74 LYS CB C 74 32.424 32.424 32.661 -0.237 19904 6604 1 10 . 1 1 74 74 LYS H H 74 8.043 8.043 7.634 0.409 19904 6605 1 10 . 1 1 75 75 ARG N N 75 118.332 118.332 116.294 2.038 19904 6606 1 10 . 1 1 75 75 ARG HA H 75 4.742 4.742 4.532 0.210 19904 6607 1 10 . 1 1 75 75 ARG C C 75 173.269 173.269 175.419 -2.150 19904 6608 1 10 . 1 1 75 75 ARG CA C 75 54.048 54.048 54.700 -0.652 19904 6609 1 10 . 1 1 75 75 ARG CB C 75 28.796 28.796 29.477 -0.681 19904 6610 1 10 . 1 1 75 75 ARG H H 75 7.536 7.536 7.912 -0.376 19904 6611 1 10 . 1 1 76 76 ASP N N 76 115.890 115.890 117.558 -1.668 19904 6612 1 10 . 1 1 76 76 ASP HA H 76 4.310 4.310 4.278 0.032 19904 6613 1 10 . 1 1 76 76 ASP C C 76 169.530 169.530 175.888 -6.358 19904 6614 1 10 . 1 1 76 76 ASP CA C 76 56.876 56.876 55.621 1.255 19904 6615 1 10 . 1 1 76 76 ASP CB C 76 39.268 39.268 38.441 0.827 19904 6616 1 10 . 1 1 76 76 ASP H H 76 7.601 7.601 8.545 -0.944 19904 6617 1 10 . 1 1 77 77 GLY N N 77 100.656 100.656 106.220 -5.564 19904 6618 1 10 . 1 1 77 77 GLY C C 77 170.735 170.735 173.428 -2.693 19904 6619 1 10 . 1 1 77 77 GLY CA C 77 56.712 56.712 46.029 10.684 19904 6620 1 10 . 1 1 77 77 GLY H H 77 8.218 8.218 8.170 0.048 19904 6621 1 10 . 1 1 78 78 ASP N N 78 118.744 118.744 118.711 0.033 19904 6622 1 10 . 1 1 78 78 ASP HA H 78 3.085 3.085 4.872 -1.787 19904 6623 1 10 . 1 1 78 78 ASP C C 78 173.696 173.696 175.525 -1.829 19904 6624 1 10 . 1 1 78 78 ASP CA C 78 54.461 54.461 52.614 1.847 19904 6625 1 10 . 1 1 78 78 ASP CB C 78 41.330 41.330 42.071 -0.741 19904 6626 1 10 . 1 1 78 78 ASP H H 78 6.679 6.679 7.667 -0.988 19904 6627 1 10 . 1 1 79 79 LEU N N 79 127.557 127.557 123.454 4.103 19904 6628 1 10 . 1 1 79 79 LEU HA H 79 4.333 4.333 4.746 -0.413 19904 6629 1 10 . 1 1 79 79 LEU C C 79 175.311 175.311 177.204 -1.893 19904 6630 1 10 . 1 1 79 79 LEU CA C 79 54.093 54.093 54.420 -0.327 19904 6631 1 10 . 1 1 79 79 LEU CB C 79 41.896 41.896 42.649 -0.753 19904 6632 1 10 . 1 1 79 79 LEU H H 79 8.837 8.837 8.149 0.688 19904 6633 1 10 . 1 1 80 80 GLY N N 80 109.745 109.745 110.318 -0.573 19904 6634 1 10 . 1 1 80 80 GLY C C 80 169.506 169.506 173.909 -4.403 19904 6635 1 10 . 1 1 80 80 GLY CA C 80 44.467 44.467 43.774 0.693 19904 6636 1 10 . 1 1 80 80 GLY H H 80 8.744 8.744 8.387 0.357 19904 6637 1 10 . 1 1 81 81 MET N N 81 118.177 118.177 118.734 -0.557 19904 6638 1 10 . 1 1 81 81 MET HA H 81 4.560 4.560 4.356 0.204 19904 6639 1 10 . 1 1 81 81 MET C C 81 173.929 173.929 176.145 -2.216 19904 6640 1 10 . 1 1 81 81 MET CA C 81 53.095 53.095 56.279 -3.184 19904 6641 1 10 . 1 1 81 81 MET CB C 81 29.720 29.720 31.703 -1.983 19904 6642 1 10 . 1 1 81 81 MET H H 81 7.894 7.894 8.125 -0.231 19904 6643 1 10 . 1 1 82 82 VAL N N 82 129.209 129.209 119.201 10.008 19904 6644 1 10 . 1 1 82 82 VAL HA H 82 4.257 4.257 4.568 -0.311 19904 6645 1 10 . 1 1 82 82 VAL C C 82 172.520 172.520 174.854 -2.334 19904 6646 1 10 . 1 1 82 82 VAL CA C 82 61.786 61.786 60.561 1.225 19904 6647 1 10 . 1 1 82 82 VAL CB C 82 33.979 33.979 33.893 0.086 19904 6648 1 10 . 1 1 82 82 VAL H H 82 9.085 9.085 8.700 0.385 19904 6649 1 10 . 1 1 83 83 GLU N N 83 125.940 125.940 125.241 0.699 19904 6650 1 10 . 1 1 83 83 GLU HA H 83 4.949 4.949 4.655 0.294 19904 6651 1 10 . 1 1 83 83 GLU C C 83 175.328 175.328 176.010 -0.682 19904 6652 1 10 . 1 1 83 83 GLU CA C 83 54.236 54.236 54.268 -0.032 19904 6653 1 10 . 1 1 83 83 GLU CB C 83 31.344 31.344 32.143 -0.799 19904 6654 1 10 . 1 1 83 83 GLU H H 83 8.608 8.608 8.721 -0.113 19904 6655 1 10 . 1 1 84 84 SER N N 84 121.587 121.587 119.921 1.666 19904 6656 1 10 . 1 1 84 84 SER HA H 84 4.009 4.009 3.620 0.389 19904 6657 1 10 . 1 1 84 84 SER C C 84 172.341 172.341 175.295 -2.954 19904 6658 1 10 . 1 1 84 84 SER CA C 84 59.451 59.451 59.548 -0.097 19904 6659 1 10 . 1 1 84 84 SER CB C 84 62.340 62.340 62.672 -0.332 19904 6660 1 10 . 1 1 84 84 SER H H 84 8.737 8.737 8.244 0.493 19904 6661 1 10 . 1 1 85 85 GLY N N 85 114.678 114.678 116.341 -1.663 19904 6662 1 10 . 1 1 85 85 GLY C C 85 172.501 172.501 174.971 -2.470 19904 6663 1 10 . 1 1 85 85 GLY CA C 85 45.190 45.190 45.077 0.113 19904 6664 1 10 . 1 1 85 85 GLY H H 85 10.247 10.247 8.359 1.888 19904 6665 1 10 . 1 1 86 86 THR N N 86 117.468 117.468 113.345 4.123 19904 6666 1 10 . 1 1 86 86 THR HA H 86 4.026 4.026 4.211 -0.185 19904 6667 1 10 . 1 1 86 86 THR C C 86 172.415 172.415 175.081 -2.666 19904 6668 1 10 . 1 1 86 86 THR CA C 86 64.666 64.666 63.898 0.768 19904 6669 1 10 . 1 1 86 86 THR CB C 86 69.421 69.421 69.948 -0.527 19904 6670 1 10 . 1 1 86 86 THR H H 86 8.398 8.398 7.983 0.415 19904 6671 1 10 . 1 1 87 87 TYR N N 87 123.120 123.120 122.728 0.392 19904 6672 1 10 . 1 1 87 87 TYR HA H 87 4.355 4.355 4.603 -0.248 19904 6673 1 10 . 1 1 87 87 TYR C C 87 172.035 172.035 175.568 -3.533 19904 6674 1 10 . 1 1 87 87 TYR CA C 87 57.361 57.361 57.485 -0.124 19904 6675 1 10 . 1 1 87 87 TYR CB C 87 38.651 38.651 39.192 -0.541 19904 6676 1 10 . 1 1 87 87 TYR H H 87 8.869 8.869 8.130 0.739 19904 6677 1 10 . 1 1 88 88 THR N N 88 109.212 109.212 111.359 -2.147 19904 6678 1 10 . 1 1 88 88 THR HA H 88 4.304 4.304 4.453 -0.149 19904 6679 1 10 . 1 1 88 88 THR C C 88 172.134 172.134 174.716 -2.582 19904 6680 1 10 . 1 1 88 88 THR CA C 88 61.468 61.468 61.100 0.368 19904 6681 1 10 . 1 1 88 88 THR CB C 88 70.553 70.553 69.869 0.684 19904 6682 1 10 . 1 1 88 88 THR H H 88 7.339 7.339 8.117 -0.778 19904 6683 1 10 . 1 1 89 89 GLU N N 89 122.460 122.460 123.553 -1.093 19904 6684 1 10 . 1 1 89 89 GLU HA H 89 4.058 4.058 3.769 0.289 19904 6685 1 10 . 1 1 89 89 GLU C C 89 175.844 175.844 177.594 -1.750 19904 6686 1 10 . 1 1 89 89 GLU CA C 89 59.853 59.853 58.312 1.542 19904 6687 1 10 . 1 1 89 89 GLU CB C 89 29.322 29.322 29.834 -0.512 19904 6688 1 10 . 1 1 89 89 GLU H H 89 8.819 8.819 8.558 0.261 19904 6689 1 10 . 1 1 90 90 GLY N N 90 107.861 107.861 113.307 -5.446 19904 6690 1 10 . 1 1 90 90 GLY C C 90 172.835 172.835 174.004 -1.169 19904 6691 1 10 . 1 1 90 90 GLY CA C 90 46.411 46.411 45.533 0.878 19904 6692 1 10 . 1 1 90 90 GLY H H 90 8.734 8.734 9.260 -0.526 19904 6693 1 10 . 1 1 91 91 PHE N N 91 120.792 120.792 120.710 0.082 19904 6694 1 10 . 1 1 91 91 PHE HA H 91 3.691 3.691 4.433 -0.742 19904 6695 1 10 . 1 1 91 91 PHE C C 91 173.756 173.756 175.720 -1.964 19904 6696 1 10 . 1 1 91 91 PHE CA C 91 60.625 60.625 60.169 0.456 19904 6697 1 10 . 1 1 91 91 PHE CB C 91 39.869 39.869 40.402 -0.533 19904 6698 1 10 . 1 1 91 91 PHE H H 91 7.392 7.392 7.587 -0.195 19904 6699 1 10 . 1 1 92 92 ASP N N 92 119.990 119.990 119.273 0.717 19904 6700 1 10 . 1 1 92 92 ASP HA H 92 4.473 4.473 4.542 -0.069 19904 6701 1 10 . 1 1 92 92 ASP C C 92 176.108 176.108 178.230 -2.122 19904 6702 1 10 . 1 1 92 92 ASP CA C 92 57.792 57.792 58.170 -0.378 19904 6703 1 10 . 1 1 92 92 ASP CB C 92 40.222 40.222 40.884 -0.662 19904 6704 1 10 . 1 1 92 92 ASP H H 92 8.339 8.339 8.057 0.282 19904 6705 1 10 . 1 1 93 93 THR N N 93 114.592 114.592 113.262 1.330 19904 6706 1 10 . 1 1 93 93 THR HA H 93 3.807 3.807 4.002 -0.195 19904 6707 1 10 . 1 1 93 93 THR C C 93 173.478 173.478 175.825 -2.347 19904 6708 1 10 . 1 1 93 93 THR CA C 93 66.000 66.000 65.791 0.209 19904 6709 1 10 . 1 1 93 93 THR CB C 93 68.763 68.763 67.921 0.842 19904 6710 1 10 . 1 1 93 93 THR H H 93 8.609 8.609 8.699 -0.090 19904 6711 1 10 . 1 1 94 94 VAL N N 94 118.669 118.669 121.321 -2.652 19904 6712 1 10 . 1 1 94 94 VAL HA H 94 3.688 3.688 4.000 -0.312 19904 6713 1 10 . 1 1 94 94 VAL C C 94 176.137 176.137 177.052 -0.915 19904 6714 1 10 . 1 1 94 94 VAL CA C 94 64.692 64.692 64.884 -0.192 19904 6715 1 10 . 1 1 94 94 VAL CB C 94 32.207 32.207 31.524 0.683 19904 6716 1 10 . 1 1 94 94 VAL H H 94 6.772 6.772 7.290 -0.518 19904 6717 1 10 . 1 1 95 95 ALA N N 95 123.356 123.356 123.540 -0.184 19904 6718 1 10 . 1 1 95 95 ALA HA H 95 3.128 3.128 3.692 -0.564 19904 6719 1 10 . 1 1 95 95 ALA C C 95 177.254 177.254 178.780 -1.526 19904 6720 1 10 . 1 1 95 95 ALA CA C 95 55.202 55.202 54.777 0.425 19904 6721 1 10 . 1 1 95 95 ALA CB C 95 17.905 17.905 18.107 -0.202 19904 6722 1 10 . 1 1 95 95 ALA H H 95 8.890 8.890 8.162 0.728 19904 6723 1 10 . 1 1 96 96 PHE N N 96 111.667 111.667 113.333 -1.666 19904 6724 1 10 . 1 1 96 96 PHE HA H 96 4.170 4.170 4.643 -0.473 19904 6725 1 10 . 1 1 96 96 PHE C C 96 171.898 171.898 176.703 -4.805 19904 6726 1 10 . 1 1 96 96 PHE CA C 96 61.633 61.633 59.037 2.596 19904 6727 1 10 . 1 1 96 96 PHE CB C 96 36.448 36.448 39.268 -2.820 19904 6728 1 10 . 1 1 96 96 PHE H H 96 8.431 8.431 8.435 -0.004 19904 6729 1 10 . 1 1 97 97 SER N N 97 113.144 113.144 116.237 -3.093 19904 6730 1 10 . 1 1 97 97 SER HA H 97 4.635 4.635 4.500 0.135 19904 6731 1 10 . 1 1 97 97 SER C C 97 172.020 172.020 175.429 -3.409 19904 6732 1 10 . 1 1 97 97 SER CA C 97 58.521 58.521 59.691 -1.170 19904 6733 1 10 . 1 1 97 97 SER CB C 97 64.820 64.820 64.118 0.702 19904 6734 1 10 . 1 1 97 97 SER H H 97 7.348 7.348 7.807 -0.459 19904 6735 1 10 . 1 1 98 98 LEU N N 98 121.390 121.390 121.323 0.067 19904 6736 1 10 . 1 1 98 98 LEU HA H 98 4.131 4.131 4.102 0.029 19904 6737 1 10 . 1 1 98 98 LEU C C 98 175.754 175.754 176.318 -0.564 19904 6738 1 10 . 1 1 98 98 LEU CA C 98 55.059 55.059 55.675 -0.616 19904 6739 1 10 . 1 1 98 98 LEU CB C 98 42.757 42.757 41.666 1.091 19904 6740 1 10 . 1 1 98 98 LEU H H 98 6.790 6.790 7.982 -1.192 19904 6741 1 10 . 1 1 99 99 LYS N N 99 124.409 124.409 119.808 4.601 19904 6742 1 10 . 1 1 99 99 LYS HA H 99 4.245 4.245 4.442 -0.197 19904 6743 1 10 . 1 1 99 99 LYS C C 99 173.517 173.517 175.933 -2.416 19904 6744 1 10 . 1 1 99 99 LYS CA C 99 55.439 55.439 55.145 0.294 19904 6745 1 10 . 1 1 99 99 LYS CB C 99 32.792 32.792 34.448 -1.656 19904 6746 1 10 . 1 1 99 99 LYS H H 99 9.086 9.086 8.281 0.805 19904 6747 1 10 . 1 1 100 100 SER N N 100 115.642 115.642 115.256 0.386 19904 6748 1 10 . 1 1 100 100 SER HA H 100 3.294 3.294 4.176 -0.882 19904 6749 1 10 . 1 1 100 100 SER C C 100 172.722 172.722 175.608 -2.886 19904 6750 1 10 . 1 1 100 100 SER CA C 100 60.816 60.816 59.757 1.059 19904 6751 1 10 . 1 1 100 100 SER CB C 100 62.342 62.342 62.741 -0.399 19904 6752 1 10 . 1 1 100 100 SER H H 100 8.469 8.469 8.342 0.127 19904 6753 1 10 . 1 1 101 101 GLY N N 101 114.871 114.871 112.335 2.536 19904 6754 1 10 . 1 1 101 101 GLY C C 101 169.465 169.465 173.452 -3.987 19904 6755 1 10 . 1 1 101 101 GLY CA C 101 45.415 45.415 45.499 -0.084 19904 6756 1 10 . 1 1 101 101 GLY H H 101 8.486 8.486 8.741 -0.255 19904 6757 1 10 . 1 1 102 102 GLU N N 102 119.387 119.387 117.526 1.861 19904 6758 1 10 . 1 1 102 102 GLU HA H 102 4.742 4.742 4.962 -0.220 19904 6759 1 10 . 1 1 102 102 GLU C C 102 171.675 171.675 174.553 -2.878 19904 6760 1 10 . 1 1 102 102 GLU CA C 102 55.276 55.276 54.700 0.576 19904 6761 1 10 . 1 1 102 102 GLU CB C 102 32.307 32.307 34.606 -2.299 19904 6762 1 10 . 1 1 102 102 GLU H H 102 7.594 7.594 7.600 -0.006 19904 6763 1 10 . 1 1 103 103 VAL N N 103 119.700 119.700 122.419 -2.719 19904 6764 1 10 . 1 1 103 103 VAL HA H 103 4.836 4.836 4.363 0.473 19904 6765 1 10 . 1 1 103 103 VAL C C 103 173.611 173.611 175.902 -2.291 19904 6766 1 10 . 1 1 103 103 VAL CA C 103 58.953 58.953 61.639 -2.686 19904 6767 1 10 . 1 1 103 103 VAL CB C 103 33.653 33.653 33.910 -0.257 19904 6768 1 10 . 1 1 103 103 VAL H H 103 7.884 7.884 8.759 -0.875 19904 6769 1 10 . 1 1 104 104 SER N N 104 123.705 123.705 123.343 0.362 19904 6770 1 10 . 1 1 104 104 SER HA H 104 4.045 4.045 4.470 -0.425 19904 6771 1 10 . 1 1 104 104 SER C C 104 170.420 170.420 174.765 -4.345 19904 6772 1 10 . 1 1 104 104 SER CA C 104 58.515 58.515 57.900 0.615 19904 6773 1 10 . 1 1 104 104 SER CB C 104 66.400 66.400 64.413 1.987 19904 6774 1 10 . 1 1 104 104 SER H H 104 9.056 9.056 8.773 0.283 19904 6775 1 10 . 1 1 105 105 ALA N N 105 117.355 117.355 124.448 -7.093 19904 6776 1 10 . 1 1 105 105 ALA HA H 105 4.395 4.395 4.371 0.024 19904 6777 1 10 . 1 1 105 105 ALA C C 105 172.593 172.593 176.244 -3.651 19904 6778 1 10 . 1 1 105 105 ALA CA C 105 51.112 51.112 51.342 -0.230 19904 6779 1 10 . 1 1 105 105 ALA CB C 105 16.566 16.566 18.022 -1.456 19904 6780 1 10 . 1 1 105 105 ALA H H 105 7.269 7.269 8.434 -1.165 19904 6781 1 10 . 1 1 106 106 PRO HA H 106 4.684 4.684 4.355 0.329 19904 6782 1 10 . 1 1 106 106 PRO C C 106 174.527 174.527 175.705 -1.178 19904 6783 1 10 . 1 1 106 106 PRO CA C 106 63.191 63.191 62.806 0.386 19904 6784 1 10 . 1 1 106 106 PRO CB C 106 30.197 30.197 30.671 -0.474 19904 6785 1 10 . 1 1 107 107 VAL N N 107 124.996 124.996 125.150 -0.154 19904 6786 1 10 . 1 1 107 107 VAL HA H 107 4.410 4.410 4.042 0.368 19904 6787 1 10 . 1 1 107 107 VAL C C 107 171.642 171.642 175.530 -3.888 19904 6788 1 10 . 1 1 107 107 VAL CA C 107 60.030 60.030 63.318 -3.288 19904 6789 1 10 . 1 1 107 107 VAL CB C 107 34.707 34.707 32.837 1.869 19904 6790 1 10 . 1 1 107 107 VAL H H 107 8.969 8.969 7.945 1.024 19904 6791 1 10 . 1 1 108 108 GLU N N 108 128.257 128.257 126.848 1.409 19904 6792 1 10 . 1 1 108 108 GLU HA H 108 5.188 5.188 5.134 0.054 19904 6793 1 10 . 1 1 108 108 GLU C C 108 173.786 173.786 176.019 -2.233 19904 6794 1 10 . 1 1 108 108 GLU CA C 108 56.033 56.033 55.334 0.700 19904 6795 1 10 . 1 1 108 108 GLU CB C 108 31.648 31.648 33.700 -2.052 19904 6796 1 10 . 1 1 108 108 GLU H H 108 8.971 8.971 8.693 0.278 19904 6797 1 10 . 1 1 109 109 THR N N 109 115.774 115.774 118.622 -2.848 19904 6798 1 10 . 1 1 109 109 THR HA H 109 4.828 4.828 4.800 0.028 19904 6799 1 10 . 1 1 109 109 THR C C 109 173.458 173.458 173.806 -0.348 19904 6800 1 10 . 1 1 109 109 THR CA C 109 61.175 61.175 60.228 0.947 19904 6801 1 10 . 1 1 109 109 THR CB C 109 72.651 72.651 71.050 1.601 19904 6802 1 10 . 1 1 109 109 THR H H 109 9.378 9.378 8.679 0.699 19904 6803 1 10 . 1 1 110 110 GLU N N 110 118.681 118.681 120.511 -1.830 19904 6804 1 10 . 1 1 110 110 GLU HA H 110 4.354 4.354 4.084 0.270 19904 6805 1 10 . 1 1 110 110 GLU C C 110 174.619 174.619 177.166 -2.547 19904 6806 1 10 . 1 1 110 110 GLU CA C 110 58.130 58.130 58.644 -0.514 19904 6807 1 10 . 1 1 110 110 GLU CB C 110 28.500 28.500 29.098 -0.598 19904 6808 1 10 . 1 1 110 110 GLU H H 110 9.445 9.445 8.811 0.634 19904 6809 1 10 . 1 1 111 111 LEU N N 111 118.396 118.396 118.759 -0.363 19904 6810 1 10 . 1 1 111 111 LEU HA H 111 4.235 4.235 4.345 -0.110 19904 6811 1 10 . 1 1 111 111 LEU C C 111 173.650 173.650 177.039 -3.389 19904 6812 1 10 . 1 1 111 111 LEU CA C 111 55.074 55.074 55.819 -0.745 19904 6813 1 10 . 1 1 111 111 LEU CB C 111 41.376 41.376 42.919 -1.543 19904 6814 1 10 . 1 1 111 111 LEU H H 111 8.849 8.849 7.799 1.050 19904 6815 1 10 . 1 1 112 112 GLY N N 112 103.523 103.523 101.103 2.420 19904 6816 1 10 . 1 1 112 112 GLY C C 112 166.641 166.641 172.283 -5.642 19904 6817 1 10 . 1 1 112 112 GLY CA C 112 43.820 43.820 44.628 -0.808 19904 6818 1 10 . 1 1 112 112 GLY H H 112 7.437 7.437 7.650 -0.213 19904 6819 1 10 . 1 1 113 113 VAL N N 113 121.766 121.766 121.729 0.037 19904 6820 1 10 . 1 1 113 113 VAL HA H 113 4.636 4.636 4.851 -0.215 19904 6821 1 10 . 1 1 113 113 VAL C C 113 171.516 171.516 175.672 -4.156 19904 6822 1 10 . 1 1 113 113 VAL CA C 113 61.125 61.125 61.661 -0.536 19904 6823 1 10 . 1 1 113 113 VAL CB C 113 32.510 32.510 31.897 0.613 19904 6824 1 10 . 1 1 113 113 VAL H H 113 8.870 8.870 8.208 0.662 19904 6825 1 10 . 1 1 114 114 HIS N N 114 125.383 125.383 127.576 -2.193 19904 6826 1 10 . 1 1 114 114 HIS HA H 114 5.669 5.669 5.614 0.056 19904 6827 1 10 . 1 1 114 114 HIS C C 114 174.524 174.524 173.784 0.740 19904 6828 1 10 . 1 1 114 114 HIS CA C 114 53.960 53.960 54.529 -0.569 19904 6829 1 10 . 1 1 114 114 HIS CB C 114 30.978 30.978 32.911 -1.933 19904 6830 1 10 . 1 1 114 114 HIS H H 114 9.850 9.850 9.321 0.529 19904 6831 1 10 . 1 1 115 115 LEU N N 115 117.609 117.609 125.058 -7.449 19904 6832 1 10 . 1 1 115 115 LEU HA H 115 4.330 4.330 4.701 -0.371 19904 6833 1 10 . 1 1 115 115 LEU C C 115 172.779 172.779 175.245 -2.466 19904 6834 1 10 . 1 1 115 115 LEU CA C 115 54.545 54.545 54.269 0.276 19904 6835 1 10 . 1 1 115 115 LEU CB C 115 43.651 43.651 44.445 -0.794 19904 6836 1 10 . 1 1 115 115 LEU H H 115 8.459 8.459 8.394 0.065 19904 6837 1 10 . 1 1 116 116 ILE N N 116 124.233 124.233 125.313 -1.080 19904 6838 1 10 . 1 1 116 116 ILE HA H 116 4.391 4.391 4.856 -0.465 19904 6839 1 10 . 1 1 116 116 ILE C C 116 169.528 169.528 174.357 -4.829 19904 6840 1 10 . 1 1 116 116 ILE CA C 116 60.408 60.408 59.504 0.904 19904 6841 1 10 . 1 1 116 116 ILE CB C 116 40.360 40.360 39.765 0.595 19904 6842 1 10 . 1 1 116 116 ILE H H 116 8.597 8.597 8.218 0.379 19904 6843 1 10 . 1 1 117 117 TYR N N 117 126.661 126.661 121.901 4.760 19904 6844 1 10 . 1 1 117 117 TYR HA H 117 5.020 5.020 4.958 0.062 19904 6845 1 10 . 1 1 117 117 TYR C C 117 171.915 171.915 172.600 -0.685 19904 6846 1 10 . 1 1 117 117 TYR CA C 117 54.073 54.073 55.558 -1.485 19904 6847 1 10 . 1 1 117 117 TYR CB C 117 40.842 40.842 41.307 -0.465 19904 6848 1 10 . 1 1 117 117 TYR H H 117 8.646 8.646 7.644 1.002 19904 6849 1 10 . 1 1 118 118 ARG N N 118 126.514 126.514 122.920 3.594 19904 6850 1 10 . 1 1 118 118 ARG HA H 118 4.686 4.686 4.307 0.379 19904 6851 1 10 . 1 1 118 118 ARG C C 118 171.048 171.048 174.202 -3.154 19904 6852 1 10 . 1 1 118 118 ARG CA C 118 54.269 54.269 54.258 0.011 19904 6853 1 10 . 1 1 118 118 ARG CB C 118 30.628 30.628 31.364 -0.736 19904 6854 1 10 . 1 1 118 118 ARG H H 118 7.162 7.162 7.898 -0.736 19904 6855 1 10 . 1 1 119 119 VAL N N 119 124.856 124.856 125.227 -0.371 19904 6856 1 10 . 1 1 119 119 VAL HA H 119 3.446 3.446 4.126 -0.680 19904 6857 1 10 . 1 1 119 119 VAL C C 119 171.576 171.576 175.272 -3.696 19904 6858 1 10 . 1 1 119 119 VAL CA C 119 62.315 62.315 59.916 2.400 19904 6859 1 10 . 1 1 119 119 VAL CB C 119 32.676 32.676 35.010 -2.333 19904 6860 1 10 . 1 1 119 119 VAL H H 119 7.418 7.418 7.980 -0.562 19904 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 115 3.072 -0.222 3.077 19904 2 1 1 "Average Difference" HA 118 0.402 0.093 0.393 19904 3 1 1 "Average Difference" C 118 2.766 2.437 1.315 19904 4 1 1 "Average Difference" CA 118 1.484 -0.197 1.477 19904 5 1 1 "Average Difference" CB 110 1.359 0.212 1.348 19904 6 1 1 "Average Difference" HN 115 0.690 -0.172 0.671 19904 7 1 2 "Average Difference" N 115 3.110 -0.271 3.112 19904 8 1 2 "Average Difference" HA 118 0.402 0.099 0.391 19904 9 1 2 "Average Difference" C 118 2.741 2.404 1.323 19904 10 1 2 "Average Difference" CA 118 1.509 -0.213 1.500 19904 11 1 2 "Average Difference" CB 110 1.289 0.235 1.273 19904 12 1 2 "Average Difference" HN 115 0.699 -0.163 0.683 19904 13 1 3 "Average Difference" N 115 3.104 -0.120 3.116 19904 14 1 3 "Average Difference" HA 118 0.402 0.086 0.394 19904 15 1 3 "Average Difference" C 118 2.773 2.442 1.318 19904 16 1 3 "Average Difference" CA 118 1.435 -0.168 1.431 19904 17 1 3 "Average Difference" CB 110 1.359 0.136 1.359 19904 18 1 3 "Average Difference" HN 115 0.704 -0.147 0.692 19904 19 1 4 "Average Difference" N 115 3.185 -0.282 3.186 19904 20 1 4 "Average Difference" HA 118 0.397 0.094 0.387 19904 21 1 4 "Average Difference" C 118 2.771 2.437 1.325 19904 22 1 4 "Average Difference" CA 118 1.464 -0.211 1.454 19904 23 1 4 "Average Difference" CB 110 1.287 0.211 1.275 19904 24 1 4 "Average Difference" HN 115 0.695 -0.154 0.681 19904 25 1 5 "Average Difference" N 115 3.050 -0.213 3.055 19904 26 1 5 "Average Difference" HA 118 0.402 0.090 0.394 19904 27 1 5 "Average Difference" C 118 2.752 2.410 1.335 19904 28 1 5 "Average Difference" CA 118 1.468 -0.213 1.459 19904 29 1 5 "Average Difference" CB 110 1.358 0.197 1.350 19904 30 1 5 "Average Difference" HN 115 0.702 -0.167 0.685 19904 31 1 6 "Average Difference" N 115 3.089 -0.236 3.093 19904 32 1 6 "Average Difference" HA 118 0.400 0.105 0.387 19904 33 1 6 "Average Difference" C 118 2.797 2.462 1.334 19904 34 1 6 "Average Difference" CA 118 1.439 -0.210 1.430 19904 35 1 6 "Average Difference" CB 110 1.329 0.211 1.319 19904 36 1 6 "Average Difference" HN 115 0.683 -0.163 0.666 19904 37 1 7 "Average Difference" N 115 3.042 -0.278 3.042 19904 38 1 7 "Average Difference" HA 118 0.403 0.095 0.394 19904 39 1 7 "Average Difference" C 118 2.755 2.415 1.331 19904 40 1 7 "Average Difference" CA 118 1.464 -0.206 1.456 19904 41 1 7 "Average Difference" CB 110 1.351 0.175 1.346 19904 42 1 7 "Average Difference" HN 115 0.685 -0.146 0.672 19904 43 1 8 "Average Difference" N 115 3.181 -0.327 3.178 19904 44 1 8 "Average Difference" HA 118 0.407 0.096 0.397 19904 45 1 8 "Average Difference" C 118 2.758 2.425 1.319 19904 46 1 8 "Average Difference" CA 118 1.439 -0.186 1.433 19904 47 1 8 "Average Difference" CB 110 1.364 0.183 1.357 19904 48 1 8 "Average Difference" HN 115 0.714 -0.159 0.699 19904 49 1 9 "Average Difference" N 115 2.980 -0.116 2.991 19904 50 1 9 "Average Difference" HA 118 0.403 0.099 0.392 19904 51 1 9 "Average Difference" C 118 2.813 2.475 1.342 19904 52 1 9 "Average Difference" CA 118 1.500 -0.248 1.486 19904 53 1 9 "Average Difference" CB 110 1.352 0.211 1.342 19904 54 1 9 "Average Difference" HN 115 0.699 -0.159 0.683 19904 55 1 10 "Average Difference" N 115 3.166 -0.146 3.177 19904 56 1 10 "Average Difference" HA 118 0.395 0.096 0.385 19904 57 1 10 "Average Difference" C 118 2.764 2.436 1.311 19904 58 1 10 "Average Difference" CA 118 1.464 -0.178 1.459 19904 59 1 10 "Average Difference" CB 110 1.289 0.214 1.277 19904 60 1 10 "Average Difference" HN 115 0.690 -0.137 0.679 19904 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 19904 _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 THR N N 2 114.985 114.985 113.593 1.392 19904 2 1 . 1 1 2 2 THR HA H 2 4.233 4.233 4.667 -0.434 19904 3 1 . 1 1 2 2 THR C C 2 170.697 170.697 173.113 -2.416 19904 4 1 . 1 1 2 2 THR CA C 2 61.775 61.775 61.468 0.307 19904 5 1 . 1 1 2 2 THR CB C 2 69.429 69.429 71.446 -2.017 19904 6 1 . 1 1 2 2 THR H H 2 8.140 8.140 8.270 -0.130 19904 7 1 . 1 1 3 3 GLU N N 3 121.736 121.736 121.035 0.701 19904 8 1 . 1 1 3 3 GLU HA H 3 5.206 5.206 5.288 -0.082 19904 9 1 . 1 1 3 3 GLU C C 3 173.028 173.028 175.473 -2.445 19904 10 1 . 1 1 3 3 GLU CA C 3 54.900 54.900 55.186 -0.286 19904 11 1 . 1 1 3 3 GLU CB C 3 31.659 31.659 31.775 -0.116 19904 12 1 . 1 1 3 3 GLU H H 3 8.108 8.108 8.579 -0.471 19904 13 1 . 1 1 4 4 ARG N N 4 120.713 120.713 123.272 -2.559 19904 14 1 . 1 1 4 4 ARG HA H 4 4.360 4.360 4.512 -0.152 19904 15 1 . 1 1 4 4 ARG C C 4 170.103 170.103 173.572 -3.469 19904 16 1 . 1 1 4 4 ARG CA C 4 53.816 53.816 53.589 0.227 19904 17 1 . 1 1 4 4 ARG CB C 4 35.162 35.162 33.543 1.619 19904 18 1 . 1 1 4 4 ARG H H 4 8.309 8.309 8.597 -0.288 19904 19 1 . 1 1 5 5 HIS N N 5 121.423 121.423 118.098 3.325 19904 20 1 . 1 1 5 5 HIS HA H 5 5.197 5.197 4.581 0.616 19904 21 1 . 1 1 5 5 HIS C C 5 170.917 170.917 173.051 -2.134 19904 22 1 . 1 1 5 5 HIS CA C 5 52.151 52.151 54.205 -2.053 19904 23 1 . 1 1 5 5 HIS CB C 5 29.920 29.920 30.629 -0.709 19904 24 1 . 1 1 5 5 HIS H H 5 8.591 8.591 7.936 0.655 19904 25 1 . 1 1 6 6 PHE N N 6 122.961 122.961 119.684 3.277 19904 26 1 . 1 1 6 6 PHE HA H 6 6.042 6.042 4.424 1.618 19904 27 1 . 1 1 6 6 PHE C C 6 171.599 171.599 172.916 -1.317 19904 28 1 . 1 1 6 6 PHE CA C 6 55.284 55.284 54.565 0.719 19904 29 1 . 1 1 6 6 PHE CB C 6 43.276 43.276 39.660 3.616 19904 30 1 . 1 1 6 6 PHE H H 6 7.523 7.523 7.792 -0.269 19904 31 1 . 1 1 7 7 TYR N N 7 119.822 119.822 117.080 2.743 19904 32 1 . 1 1 7 7 TYR HA H 7 5.692 5.692 5.186 0.506 19904 33 1 . 1 1 7 7 TYR C C 7 173.785 173.785 174.670 -0.885 19904 34 1 . 1 1 7 7 TYR CA C 7 55.865 55.865 56.590 -0.725 19904 35 1 . 1 1 7 7 TYR CB C 7 44.067 44.067 41.247 2.820 19904 36 1 . 1 1 7 7 TYR H H 7 9.313 9.313 8.141 1.172 19904 37 1 . 1 1 8 8 HIS N N 8 114.648 114.648 116.148 -1.500 19904 38 1 . 1 1 8 8 HIS HA H 8 6.178 6.178 5.834 0.344 19904 39 1 . 1 1 8 8 HIS C C 8 170.959 170.959 173.941 -2.981 19904 40 1 . 1 1 8 8 HIS CA C 8 54.875 54.875 53.508 1.367 19904 41 1 . 1 1 8 8 HIS CB C 8 36.453 36.453 34.187 2.266 19904 42 1 . 1 1 8 8 HIS H H 8 9.369 9.369 8.603 0.766 19904 43 1 . 1 1 9 9 VAL N N 9 120.650 120.650 118.956 1.695 19904 44 1 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.965 -0.404 19904 45 1 . 1 1 9 9 VAL C C 9 170.078 170.078 174.018 -3.940 19904 46 1 . 1 1 9 9 VAL CA C 9 61.367 61.367 61.113 0.254 19904 47 1 . 1 1 9 9 VAL CB C 9 34.926 34.926 33.801 1.124 19904 48 1 . 1 1 9 9 VAL H H 9 8.936 8.936 8.127 0.809 19904 49 1 . 1 1 10 10 LEU N N 10 125.870 125.870 129.602 -3.732 19904 50 1 . 1 1 10 10 LEU HA H 10 4.614 4.614 4.876 -0.262 19904 51 1 . 1 1 10 10 LEU C C 10 171.186 171.186 175.068 -3.882 19904 52 1 . 1 1 10 10 LEU CA C 10 52.217 52.217 53.618 -1.401 19904 53 1 . 1 1 10 10 LEU CB C 10 46.523 46.523 43.635 2.888 19904 54 1 . 1 1 10 10 LEU H H 10 7.452 7.452 8.603 -1.151 19904 55 1 . 1 1 11 11 VAL N N 11 128.355 128.355 125.864 2.491 19904 56 1 . 1 1 11 11 VAL HA H 11 4.086 4.086 4.435 -0.349 19904 57 1 . 1 1 11 11 VAL C C 11 173.155 173.155 174.402 -1.247 19904 58 1 . 1 1 11 11 VAL CA C 11 61.124 61.124 61.286 -0.162 19904 59 1 . 1 1 11 11 VAL CB C 11 32.522 32.522 33.054 -0.532 19904 60 1 . 1 1 11 11 VAL H H 11 9.422 9.422 8.609 0.813 19904 61 1 . 1 1 12 12 LYS N N 12 123.610 123.610 128.413 -4.803 19904 62 1 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.482 -0.267 19904 63 1 . 1 1 12 12 LYS C C 12 170.645 170.645 175.275 -4.630 19904 64 1 . 1 1 12 12 LYS CA C 12 56.259 56.259 56.183 0.076 19904 65 1 . 1 1 12 12 LYS CB C 12 34.702 34.702 34.224 0.478 19904 66 1 . 1 1 12 12 LYS H H 12 9.071 9.071 8.672 0.399 19904 67 1 . 1 1 13 13 HIS N N 13 110.414 110.414 115.388 -4.974 19904 68 1 . 1 1 13 13 HIS HA H 13 4.396 4.396 4.721 -0.325 19904 69 1 . 1 1 13 13 HIS C C 13 172.651 172.651 174.636 -1.985 19904 70 1 . 1 1 13 13 HIS CA C 13 54.368 54.368 55.519 -1.151 19904 71 1 . 1 1 13 13 HIS CB C 13 33.731 33.731 32.355 1.376 19904 72 1 . 1 1 13 13 HIS H H 13 6.186 6.186 8.003 -1.817 19904 73 1 . 1 1 14 14 LYS N N 14 115.373 115.373 121.264 -5.891 19904 74 1 . 1 1 14 14 LYS HA H 14 4.074 4.074 4.022 0.052 19904 75 1 . 1 1 14 14 LYS C C 14 172.860 172.860 176.712 -3.852 19904 76 1 . 1 1 14 14 LYS CA C 14 58.131 58.131 57.006 1.125 19904 77 1 . 1 1 14 14 LYS CB C 14 32.074 32.074 31.799 0.275 19904 78 1 . 1 1 14 14 LYS H H 14 9.074 9.074 8.216 0.858 19904 79 1 . 1 1 15 15 ASP N N 15 119.786 119.786 118.317 1.468 19904 80 1 . 1 1 15 15 ASP HA H 15 5.117 5.117 4.550 0.568 19904 81 1 . 1 1 15 15 ASP C C 15 173.969 173.969 176.805 -2.836 19904 82 1 . 1 1 15 15 ASP CA C 15 54.644 54.644 54.120 0.524 19904 83 1 . 1 1 15 15 ASP CB C 15 41.772 41.772 41.419 0.353 19904 84 1 . 1 1 15 15 ASP H H 15 8.951 8.951 7.164 1.786 19904 85 1 . 1 1 16 16 VAL N N 16 113.297 113.297 116.846 -3.549 19904 86 1 . 1 1 16 16 VAL HA H 16 4.353 4.353 4.069 0.284 19904 87 1 . 1 1 16 16 VAL C C 16 172.635 172.635 176.164 -3.529 19904 88 1 . 1 1 16 16 VAL CA C 16 60.510 60.510 61.523 -1.013 19904 89 1 . 1 1 16 16 VAL CB C 16 31.450 31.450 32.351 -0.901 19904 90 1 . 1 1 16 16 VAL H H 16 6.826 6.826 7.332 -0.506 19904 91 1 . 1 1 17 17 ARG N N 17 119.898 119.898 120.304 -0.406 19904 92 1 . 1 1 17 17 ARG HA H 17 3.990 3.990 4.169 -0.179 19904 93 1 . 1 1 17 17 ARG C C 17 174.690 174.690 176.880 -2.190 19904 94 1 . 1 1 17 17 ARG CA C 17 58.501 58.501 58.202 0.299 19904 95 1 . 1 1 17 17 ARG CB C 17 29.664 29.664 30.541 -0.877 19904 96 1 . 1 1 17 17 ARG H H 17 8.305 8.305 8.516 -0.211 19904 97 1 . 1 1 18 18 ARG N N 18 116.580 116.580 116.883 -0.302 19904 98 1 . 1 1 18 18 ARG HA H 18 4.643 4.643 4.734 -0.091 19904 99 1 . 1 1 18 18 ARG C C 18 171.330 171.330 174.411 -3.081 19904 100 1 . 1 1 18 18 ARG CA C 18 53.059 53.059 53.723 -0.664 19904 101 1 . 1 1 18 18 ARG CB C 18 29.538 29.538 29.689 -0.151 19904 102 1 . 1 1 18 18 ARG H H 18 8.304 8.304 8.333 -0.029 19904 103 1 . 1 1 19 19 PRO HA H 19 4.177 4.177 4.452 -0.275 19904 104 1 . 1 1 19 19 PRO C C 19 171.575 171.575 176.951 -5.376 19904 105 1 . 1 1 19 19 PRO CA C 19 62.693 62.693 63.689 -0.996 19904 106 1 . 1 1 19 19 PRO CB C 19 27.756 27.756 32.187 -4.431 19904 107 1 . 1 1 20 20 SER N N 20 119.112 119.112 114.549 4.563 19904 108 1 . 1 1 20 20 SER HA H 20 5.172 5.172 4.431 0.741 19904 109 1 . 1 1 20 20 SER C C 20 171.036 171.036 174.069 -3.033 19904 110 1 . 1 1 20 20 SER CA C 20 56.630 56.630 58.093 -1.463 19904 111 1 . 1 1 20 20 SER CB C 20 65.310 65.310 64.130 1.180 19904 112 1 . 1 1 20 20 SER H H 20 8.587 8.587 8.008 0.579 19904 113 1 . 1 1 21 21 SER N N 21 116.758 116.758 118.659 -1.901 19904 114 1 . 1 1 21 21 SER HA H 21 4.448 4.448 4.603 -0.155 19904 115 1 . 1 1 21 21 SER C C 21 173.204 173.204 173.022 0.183 19904 116 1 . 1 1 21 21 SER CA C 21 57.984 57.984 57.767 0.217 19904 117 1 . 1 1 21 21 SER CB C 21 63.579 63.579 63.296 0.282 19904 118 1 . 1 1 21 21 SER H H 21 9.000 9.000 8.347 0.653 19904 119 1 . 1 1 22 22 LEU N N 22 129.332 129.332 127.192 2.140 19904 120 1 . 1 1 22 22 LEU HA H 22 4.560 4.560 4.511 0.049 19904 121 1 . 1 1 22 22 LEU C C 22 172.591 172.591 175.682 -3.091 19904 122 1 . 1 1 22 22 LEU CA C 22 53.332 53.332 52.539 0.793 19904 123 1 . 1 1 22 22 LEU CB C 22 41.996 41.996 39.839 2.157 19904 124 1 . 1 1 22 22 LEU H H 22 8.292 8.292 8.325 -0.033 19904 125 1 . 1 1 23 23 ALA N N 23 125.266 125.266 124.994 0.272 19904 126 1 . 1 1 23 23 ALA HA H 23 4.174 4.174 4.780 -0.607 19904 127 1 . 1 1 23 23 ALA C C 23 176.009 176.009 175.673 0.336 19904 128 1 . 1 1 23 23 ALA CA C 23 50.357 50.357 49.619 0.738 19904 129 1 . 1 1 23 23 ALA CB C 23 18.298 18.298 19.545 -1.247 19904 130 1 . 1 1 23 23 ALA H H 23 7.521 7.521 7.429 0.092 19904 131 1 . 1 1 24 24 PRO HA H 24 4.406 4.406 4.388 0.018 19904 132 1 . 1 1 24 24 PRO C C 24 175.951 175.951 177.049 -1.098 19904 133 1 . 1 1 24 24 PRO CA C 24 64.918 64.918 64.489 0.429 19904 134 1 . 1 1 24 24 PRO CB C 24 31.480 31.480 32.031 -0.551 19904 135 1 . 1 1 25 25 ARG N N 25 113.570 113.570 117.941 -4.371 19904 136 1 . 1 1 25 25 ARG HA H 25 3.997 3.997 4.374 -0.377 19904 137 1 . 1 1 25 25 ARG C C 25 173.076 173.076 176.437 -3.361 19904 138 1 . 1 1 25 25 ARG CA C 25 57.993 57.993 56.842 1.151 19904 139 1 . 1 1 25 25 ARG CB C 25 29.623 29.623 30.010 -0.387 19904 140 1 . 1 1 25 25 ARG H H 25 7.997 7.997 8.346 -0.349 19904 141 1 . 1 1 26 26 ASN N N 26 118.698 118.698 116.713 1.985 19904 142 1 . 1 1 26 26 ASN HA H 26 4.684 4.684 4.774 -0.090 19904 143 1 . 1 1 26 26 ASN C C 26 171.211 171.211 173.850 -2.639 19904 144 1 . 1 1 26 26 ASN CA C 26 51.481 51.481 51.947 -0.466 19904 145 1 . 1 1 26 26 ASN CB C 26 36.343 36.343 38.757 -2.414 19904 146 1 . 1 1 26 26 ASN H H 26 7.314 7.314 8.117 -0.803 19904 147 1 . 1 1 27 27 LYS N N 27 122.069 122.069 120.389 1.680 19904 148 1 . 1 1 27 27 LYS HA H 27 3.545 3.545 4.151 -0.606 19904 149 1 . 1 1 27 27 LYS C C 27 175.308 175.308 177.690 -2.382 19904 150 1 . 1 1 27 27 LYS CA C 27 58.932 58.932 58.128 0.804 19904 151 1 . 1 1 27 27 LYS CB C 27 32.223 32.223 32.221 0.002 19904 152 1 . 1 1 27 27 LYS H H 27 6.739 6.739 7.839 -1.100 19904 153 1 . 1 1 28 28 GLY N N 28 115.186 115.186 111.366 3.820 19904 154 1 . 1 1 28 28 GLY C C 28 172.044 172.044 173.868 -1.824 19904 155 1 . 1 1 28 28 GLY CA C 28 44.167 44.167 44.767 -0.600 19904 156 1 . 1 1 28 28 GLY H H 28 9.170 9.170 8.671 0.499 19904 157 1 . 1 1 29 29 GLU N N 29 123.612 123.612 121.959 1.653 19904 158 1 . 1 1 29 29 GLU HA H 29 3.988 3.988 4.390 -0.402 19904 159 1 . 1 1 29 29 GLU C C 29 173.511 173.511 175.167 -1.656 19904 160 1 . 1 1 29 29 GLU CA C 29 57.456 57.456 55.986 1.470 19904 161 1 . 1 1 29 29 GLU CB C 29 29.848 29.848 30.844 -0.996 19904 162 1 . 1 1 29 29 GLU H H 29 8.247 8.247 7.783 0.464 19904 163 1 . 1 1 30 30 LYS N N 30 127.143 127.143 123.700 3.443 19904 164 1 . 1 1 30 30 LYS HA H 30 4.136 4.136 4.556 -0.420 19904 165 1 . 1 1 30 30 LYS C C 30 173.356 173.356 175.399 -2.043 19904 166 1 . 1 1 30 30 LYS CA C 30 57.006 57.006 55.164 1.842 19904 167 1 . 1 1 30 30 LYS CB C 30 32.352 32.352 35.538 -3.186 19904 168 1 . 1 1 30 30 LYS H H 30 8.580 8.580 8.346 0.234 19904 169 1 . 1 1 31 31 ILE N N 31 125.431 125.431 122.422 3.009 19904 170 1 . 1 1 31 31 ILE HA H 31 4.126 4.126 4.319 -0.193 19904 171 1 . 1 1 31 31 ILE C C 31 172.968 172.968 175.842 -2.874 19904 172 1 . 1 1 31 31 ILE CA C 31 58.365 58.365 61.047 -2.682 19904 173 1 . 1 1 31 31 ILE CB C 31 35.846 35.846 39.596 -3.750 19904 174 1 . 1 1 31 31 ILE H H 31 8.136 8.136 8.420 -0.284 19904 175 1 . 1 1 32 32 THR N N 32 116.000 116.000 119.368 -3.368 19904 176 1 . 1 1 32 32 THR HA H 32 4.391 4.391 4.456 -0.065 19904 177 1 . 1 1 32 32 THR C C 32 172.242 172.242 174.608 -2.366 19904 178 1 . 1 1 32 32 THR CA C 32 60.626 60.626 61.163 -0.537 19904 179 1 . 1 1 32 32 THR CB C 32 69.692 69.692 69.301 0.391 19904 180 1 . 1 1 32 32 THR H H 32 8.501 8.501 8.374 0.127 19904 181 1 . 1 1 33 33 ARG N N 33 122.696 122.696 121.614 1.082 19904 182 1 . 1 1 33 33 ARG HA H 33 4.516 4.516 4.411 0.105 19904 183 1 . 1 1 33 33 ARG C C 33 171.016 171.016 175.870 -4.854 19904 184 1 . 1 1 33 33 ARG CA C 33 55.200 55.200 56.042 -0.843 19904 185 1 . 1 1 33 33 ARG CB C 33 29.990 29.990 31.145 -1.154 19904 186 1 . 1 1 33 33 ARG H H 33 7.156 7.156 7.905 -0.749 19904 187 1 . 1 1 34 34 SER N N 34 117.773 117.773 113.564 4.208 19904 188 1 . 1 1 34 34 SER HA H 34 4.536 4.536 5.007 -0.471 19904 189 1 . 1 1 34 34 SER C C 34 172.654 172.654 176.003 -3.349 19904 190 1 . 1 1 34 34 SER CA C 34 57.072 57.072 56.921 0.150 19904 191 1 . 1 1 34 34 SER CB C 34 65.763 65.763 65.091 0.672 19904 192 1 . 1 1 34 34 SER H H 34 9.144 9.144 8.373 0.771 19904 193 1 . 1 1 35 35 ARG N N 35 122.568 122.568 121.072 1.496 19904 194 1 . 1 1 35 35 ARG HA H 35 3.362 3.362 4.009 -0.647 19904 195 1 . 1 1 35 35 ARG C C 35 174.904 174.904 177.890 -2.986 19904 196 1 . 1 1 35 35 ARG CA C 35 60.234 60.234 59.287 0.947 19904 197 1 . 1 1 35 35 ARG CB C 35 29.363 29.363 29.206 0.157 19904 198 1 . 1 1 35 35 ARG H H 35 8.904 8.904 8.830 0.074 19904 199 1 . 1 1 36 36 ALA N N 36 120.049 120.049 120.081 -0.032 19904 200 1 . 1 1 36 36 ALA HA H 36 3.861 3.861 4.087 -0.226 19904 201 1 . 1 1 36 36 ALA C C 36 177.495 177.495 179.642 -2.147 19904 202 1 . 1 1 36 36 ALA CA C 36 54.849 54.849 54.540 0.309 19904 203 1 . 1 1 36 36 ALA CB C 36 17.598 17.598 17.860 -0.262 19904 204 1 . 1 1 36 36 ALA H H 36 8.120 8.120 8.450 -0.330 19904 205 1 . 1 1 37 37 ASP N N 37 118.222 118.222 118.957 -0.735 19904 206 1 . 1 1 37 37 ASP HA H 37 4.313 4.313 4.455 -0.142 19904 207 1 . 1 1 37 37 ASP C C 37 176.547 176.547 178.000 -1.453 19904 208 1 . 1 1 37 37 ASP CA C 37 56.653 56.653 57.075 -0.422 19904 209 1 . 1 1 37 37 ASP CB C 37 40.656 40.656 41.102 -0.446 19904 210 1 . 1 1 37 37 ASP H H 37 7.877 7.877 7.956 -0.079 19904 211 1 . 1 1 38 38 ALA N N 38 124.726 124.726 123.141 1.585 19904 212 1 . 1 1 38 38 ALA HA H 38 3.928 3.928 4.009 -0.081 19904 213 1 . 1 1 38 38 ALA C C 38 175.791 175.791 179.550 -3.759 19904 214 1 . 1 1 38 38 ALA CA C 38 55.163 55.163 55.137 0.026 19904 215 1 . 1 1 38 38 ALA CB C 38 18.040 18.040 18.459 -0.419 19904 216 1 . 1 1 38 38 ALA H H 38 8.269 8.269 7.384 0.885 19904 217 1 . 1 1 39 39 ILE N N 39 119.010 119.010 117.703 1.307 19904 218 1 . 1 1 39 39 ILE HA H 39 3.476 3.476 3.513 -0.037 19904 219 1 . 1 1 39 39 ILE C C 39 175.129 175.129 178.064 -2.935 19904 220 1 . 1 1 39 39 ILE CA C 39 65.121 65.121 66.036 -0.916 19904 221 1 . 1 1 39 39 ILE CB C 39 37.411 37.411 37.680 -0.269 19904 222 1 . 1 1 39 39 ILE H H 39 7.974 7.974 7.924 0.050 19904 223 1 . 1 1 40 40 ASN N N 40 117.393 117.393 117.441 -0.048 19904 224 1 . 1 1 40 40 ASN HA H 40 4.332 4.332 4.484 -0.152 19904 225 1 . 1 1 40 40 ASN C C 40 175.608 175.608 177.561 -1.953 19904 226 1 . 1 1 40 40 ASN CA C 40 55.865 55.865 55.820 0.045 19904 227 1 . 1 1 40 40 ASN CB C 40 37.589 37.589 38.642 -1.053 19904 228 1 . 1 1 40 40 ASN H H 40 8.122 8.122 7.571 0.551 19904 229 1 . 1 1 41 41 LEU N N 41 123.846 123.846 122.221 1.625 19904 230 1 . 1 1 41 41 LEU HA H 41 4.127 4.127 3.672 0.455 19904 231 1 . 1 1 41 41 LEU C C 41 175.147 175.147 177.542 -2.395 19904 232 1 . 1 1 41 41 LEU CA C 41 57.816 57.816 57.933 -0.117 19904 233 1 . 1 1 41 41 LEU CB C 41 41.589 41.589 41.280 0.309 19904 234 1 . 1 1 41 41 LEU H H 41 8.220 8.220 7.719 0.501 19904 235 1 . 1 1 42 42 ALA N N 42 120.677 120.677 119.626 1.051 19904 236 1 . 1 1 42 42 ALA HA H 42 3.763 3.763 3.700 0.063 19904 237 1 . 1 1 42 42 ALA C C 42 176.512 176.512 179.690 -3.178 19904 238 1 . 1 1 42 42 ALA CA C 42 55.411 55.411 55.302 0.109 19904 239 1 . 1 1 42 42 ALA CB C 42 17.619 17.619 18.119 -0.500 19904 240 1 . 1 1 42 42 ALA H H 42 7.959 7.959 7.599 0.360 19904 241 1 . 1 1 43 43 GLN N N 43 114.196 114.196 117.068 -2.872 19904 242 1 . 1 1 43 43 GLN HA H 43 3.963 3.963 4.013 -0.050 19904 243 1 . 1 1 43 43 GLN C C 43 176.189 176.189 178.476 -2.287 19904 244 1 . 1 1 43 43 GLN CA C 43 58.629 58.629 58.425 0.203 19904 245 1 . 1 1 43 43 GLN CB C 43 27.777 27.777 28.644 -0.867 19904 246 1 . 1 1 43 43 GLN H H 43 8.275 8.275 7.611 0.664 19904 247 1 . 1 1 44 44 ALA N N 44 124.632 124.632 122.417 2.215 19904 248 1 . 1 1 44 44 ALA HA H 44 4.092 4.092 4.023 0.069 19904 249 1 . 1 1 44 44 ALA C C 44 178.108 178.108 179.214 -1.107 19904 250 1 . 1 1 44 44 ALA CA C 44 54.752 54.752 54.634 0.117 19904 251 1 . 1 1 44 44 ALA CB C 44 17.241 17.241 18.491 -1.250 19904 252 1 . 1 1 44 44 ALA H H 44 8.134 8.134 7.819 0.315 19904 253 1 . 1 1 45 45 ILE N N 45 120.659 120.659 118.461 2.198 19904 254 1 . 1 1 45 45 ILE HA H 45 3.323 3.323 3.701 -0.378 19904 255 1 . 1 1 45 45 ILE C C 45 176.240 176.240 178.448 -2.208 19904 256 1 . 1 1 45 45 ILE CA C 45 65.254 65.254 65.260 -0.006 19904 257 1 . 1 1 45 45 ILE CB C 45 37.531 37.531 38.019 -0.488 19904 258 1 . 1 1 45 45 ILE H H 45 7.970 7.970 8.017 -0.047 19904 259 1 . 1 1 46 46 LEU N N 46 117.950 117.950 118.021 -0.071 19904 260 1 . 1 1 46 46 LEU HA H 46 4.223 4.223 4.335 -0.112 19904 261 1 . 1 1 46 46 LEU C C 46 177.868 177.868 177.680 0.188 19904 262 1 . 1 1 46 46 LEU CA C 46 57.585 57.585 57.908 -0.323 19904 263 1 . 1 1 46 46 LEU CB C 46 41.627 41.627 41.131 0.496 19904 264 1 . 1 1 46 46 LEU H H 46 7.360 7.360 7.545 -0.185 19904 265 1 . 1 1 47 47 ALA N N 47 120.942 120.942 118.888 2.054 19904 266 1 . 1 1 47 47 ALA HA H 47 4.072 4.072 4.332 -0.260 19904 267 1 . 1 1 47 47 ALA C C 47 176.501 176.501 179.140 -2.639 19904 268 1 . 1 1 47 47 ALA CA C 47 53.869 53.869 53.139 0.730 19904 269 1 . 1 1 47 47 ALA CB C 47 17.600 17.600 18.053 -0.453 19904 270 1 . 1 1 47 47 ALA H H 47 8.135 8.135 7.178 0.957 19904 271 1 . 1 1 48 48 GLN N N 48 116.773 116.773 117.872 -1.099 19904 272 1 . 1 1 48 48 GLN HA H 48 3.947 3.947 4.165 -0.218 19904 273 1 . 1 1 48 48 GLN C C 48 173.703 173.703 176.881 -3.178 19904 274 1 . 1 1 48 48 GLN CA C 48 57.455 57.455 57.526 -0.071 19904 275 1 . 1 1 48 48 GLN CB C 48 27.999 27.999 28.691 -0.692 19904 276 1 . 1 1 48 48 GLN H H 48 7.615 7.615 8.121 -0.506 19904 277 1 . 1 1 49 49 HIS N N 49 116.736 116.736 116.362 0.374 19904 278 1 . 1 1 49 49 HIS HA H 49 4.686 4.686 4.502 0.184 19904 279 1 . 1 1 49 49 HIS C C 49 172.191 172.191 173.988 -1.797 19904 280 1 . 1 1 49 49 HIS CA C 49 53.597 53.597 52.595 1.002 19904 281 1 . 1 1 49 49 HIS CB C 49 28.298 28.298 27.119 1.179 19904 282 1 . 1 1 49 49 HIS H H 49 7.373 7.373 7.657 -0.284 19904 283 1 . 1 1 50 50 LYS N N 50 119.417 119.417 122.881 -3.464 19904 284 1 . 1 1 50 50 LYS HA H 50 4.048 4.048 4.093 -0.045 19904 285 1 . 1 1 50 50 LYS C C 50 174.041 174.041 176.638 -2.597 19904 286 1 . 1 1 50 50 LYS CA C 50 58.207 58.207 57.154 1.053 19904 287 1 . 1 1 50 50 LYS CB C 50 31.869 31.869 31.340 0.529 19904 288 1 . 1 1 50 50 LYS H H 50 7.494 7.494 7.652 -0.159 19904 289 1 . 1 1 51 51 GLU N N 51 117.754 117.754 119.321 -1.568 19904 290 1 . 1 1 51 51 GLU HA H 51 4.097 4.097 3.888 0.209 19904 291 1 . 1 1 51 51 GLU C C 51 173.337 173.337 175.412 -2.075 19904 292 1 . 1 1 51 51 GLU CA C 51 57.273 57.273 57.275 -0.002 19904 293 1 . 1 1 51 51 GLU CB C 51 28.391 28.391 27.667 0.724 19904 294 1 . 1 1 51 51 GLU H H 51 8.916 8.916 8.549 0.367 19904 295 1 . 1 1 52 52 ARG N N 52 118.808 118.808 116.535 2.273 19904 296 1 . 1 1 52 52 ARG HA H 52 4.511 4.511 4.427 0.084 19904 297 1 . 1 1 52 52 ARG C C 52 172.824 172.824 173.567 -0.743 19904 298 1 . 1 1 52 52 ARG CA C 52 55.657 55.657 55.057 0.600 19904 299 1 . 1 1 52 52 ARG CB C 52 31.484 31.484 31.896 -0.412 19904 300 1 . 1 1 52 52 ARG H H 52 7.708 7.708 7.662 0.046 19904 301 1 . 1 1 53 53 LYS N N 53 121.953 121.953 120.614 1.339 19904 302 1 . 1 1 53 53 LYS HA H 53 4.502 4.502 4.745 -0.243 19904 303 1 . 1 1 53 53 LYS C C 53 173.892 173.892 174.699 -0.807 19904 304 1 . 1 1 53 53 LYS CA C 53 56.580 56.580 56.416 0.164 19904 305 1 . 1 1 53 53 LYS CB C 53 32.659 32.659 33.014 -0.355 19904 306 1 . 1 1 53 53 LYS H H 53 8.698 8.698 8.366 0.332 19904 307 1 . 1 1 54 54 THR N N 54 109.590 109.590 113.931 -4.341 19904 308 1 . 1 1 54 54 THR HA H 54 4.925 4.925 5.103 -0.178 19904 309 1 . 1 1 54 54 THR C C 54 171.619 171.619 173.423 -1.804 19904 310 1 . 1 1 54 54 THR CA C 54 59.929 59.929 61.681 -1.752 19904 311 1 . 1 1 54 54 THR CB C 54 70.010 70.010 70.928 -0.918 19904 312 1 . 1 1 54 54 THR H H 54 7.485 7.485 7.759 -0.274 19904 313 1 . 1 1 55 55 TRP N N 55 125.280 125.280 126.918 -1.638 19904 314 1 . 1 1 55 55 TRP HA H 55 4.994 4.994 4.933 0.061 19904 315 1 . 1 1 55 55 TRP C C 55 174.476 174.476 176.002 -1.526 19904 316 1 . 1 1 55 55 TRP CA C 55 55.069 55.069 56.669 -1.600 19904 317 1 . 1 1 55 55 TRP CB C 55 31.112 31.112 31.036 0.076 19904 318 1 . 1 1 55 55 TRP H H 55 9.334 9.334 8.318 1.016 19904 319 1 . 1 1 56 56 SER N N 56 122.007 122.007 116.859 5.148 19904 320 1 . 1 1 56 56 SER HA H 56 4.681 4.681 4.786 -0.105 19904 321 1 . 1 1 56 56 SER C C 56 172.033 172.033 175.589 -3.556 19904 322 1 . 1 1 56 56 SER CA C 56 56.530 56.530 57.121 -0.591 19904 323 1 . 1 1 56 56 SER CB C 56 65.129 65.129 65.042 0.087 19904 324 1 . 1 1 56 56 SER H H 56 9.350 9.350 8.619 0.731 19904 325 1 . 1 1 57 57 LEU N N 57 123.899 123.899 123.272 0.627 19904 326 1 . 1 1 57 57 LEU HA H 57 3.895 3.895 4.987 -1.092 19904 327 1 . 1 1 57 57 LEU C C 57 175.734 175.734 178.702 -2.968 19904 328 1 . 1 1 57 57 LEU CA C 57 58.307 58.307 57.672 0.635 19904 329 1 . 1 1 57 57 LEU CB C 57 40.951 40.951 41.947 -0.996 19904 330 1 . 1 1 57 57 LEU H H 57 8.828 8.828 8.725 0.103 19904 331 1 . 1 1 58 58 ASP N N 58 115.249 115.249 117.625 -2.376 19904 332 1 . 1 1 58 58 ASP HA H 58 4.183 4.183 4.593 -0.410 19904 333 1 . 1 1 58 58 ASP C C 58 176.605 176.605 177.514 -0.909 19904 334 1 . 1 1 58 58 ASP CA C 58 57.043 57.043 56.497 0.546 19904 335 1 . 1 1 58 58 ASP CB C 58 40.308 40.308 40.940 -0.632 19904 336 1 . 1 1 58 58 ASP H H 58 8.229 8.229 8.481 -0.252 19904 337 1 . 1 1 59 59 GLU N N 59 118.743 118.743 119.834 -1.091 19904 338 1 . 1 1 59 59 GLU HA H 59 3.912 3.912 4.306 -0.394 19904 339 1 . 1 1 59 59 GLU C C 59 176.819 176.819 178.153 -1.334 19904 340 1 . 1 1 59 59 GLU CA C 59 58.459 58.459 58.673 -0.214 19904 341 1 . 1 1 59 59 GLU CB C 59 30.086 30.086 30.075 0.011 19904 342 1 . 1 1 59 59 GLU H H 59 7.589 7.589 7.904 -0.315 19904 343 1 . 1 1 60 60 PHE N N 60 121.809 121.809 120.157 1.652 19904 344 1 . 1 1 60 60 PHE HA H 60 4.147 4.147 4.045 0.101 19904 345 1 . 1 1 60 60 PHE C C 60 174.448 174.448 177.770 -3.322 19904 346 1 . 1 1 60 60 PHE CA C 60 62.439 62.439 61.780 0.659 19904 347 1 . 1 1 60 60 PHE CB C 60 38.980 38.980 39.098 -0.118 19904 348 1 . 1 1 60 60 PHE H H 60 8.055 8.055 7.770 0.285 19904 349 1 . 1 1 61 61 VAL N N 61 118.759 118.759 115.440 3.319 19904 350 1 . 1 1 61 61 VAL HA H 61 3.465 3.465 3.625 -0.160 19904 351 1 . 1 1 61 61 VAL C C 61 175.119 175.119 177.880 -2.761 19904 352 1 . 1 1 61 61 VAL CA C 61 66.454 66.454 65.918 0.536 19904 353 1 . 1 1 61 61 VAL CB C 61 31.345 31.345 31.316 0.028 19904 354 1 . 1 1 61 61 VAL H H 61 9.098 9.098 7.747 1.351 19904 355 1 . 1 1 62 62 GLN N N 62 117.732 117.732 117.735 -0.003 19904 356 1 . 1 1 62 62 GLN HA H 62 3.762 3.762 4.151 -0.389 19904 357 1 . 1 1 62 62 GLN C C 62 172.363 172.363 177.446 -5.083 19904 358 1 . 1 1 62 62 GLN CA C 62 59.025 59.025 58.012 1.013 19904 359 1 . 1 1 62 62 GLN CB C 62 27.967 27.967 28.675 -0.708 19904 360 1 . 1 1 62 62 GLN H H 62 7.462 7.462 7.834 -0.372 19904 361 1 . 1 1 63 63 VAL N N 63 113.433 113.433 117.664 -4.231 19904 362 1 . 1 1 63 63 VAL HA H 63 4.147 4.147 3.726 0.421 19904 363 1 . 1 1 63 63 VAL C C 63 176.157 176.157 177.494 -1.337 19904 364 1 . 1 1 63 63 VAL CA C 63 64.982 64.982 64.019 0.963 19904 365 1 . 1 1 63 63 VAL CB C 63 30.895 30.895 31.619 -0.724 19904 366 1 . 1 1 63 63 VAL H H 63 6.895 6.895 7.510 -0.615 19904 367 1 . 1 1 64 64 VAL N N 64 122.958 122.958 120.736 2.223 19904 368 1 . 1 1 64 64 VAL HA H 64 3.307 3.307 3.621 -0.314 19904 369 1 . 1 1 64 64 VAL C C 64 176.891 176.891 178.194 -1.303 19904 370 1 . 1 1 64 64 VAL CA C 64 66.872 66.872 66.069 0.803 19904 371 1 . 1 1 64 64 VAL CB C 64 31.240 31.240 31.177 0.063 19904 372 1 . 1 1 64 64 VAL H H 64 7.908 7.908 8.123 -0.215 19904 373 1 . 1 1 65 65 ARG N N 65 118.898 118.898 118.568 0.330 19904 374 1 . 1 1 65 65 ARG HA H 65 3.754 3.754 4.076 -0.322 19904 375 1 . 1 1 65 65 ARG C C 65 175.082 175.082 176.440 -1.358 19904 376 1 . 1 1 65 65 ARG CA C 65 59.710 59.710 57.968 1.742 19904 377 1 . 1 1 65 65 ARG CB C 65 29.819 29.819 29.804 0.015 19904 378 1 . 1 1 65 65 ARG H H 65 8.459 8.459 7.294 1.165 19904 379 1 . 1 1 66 66 ASP N N 66 115.125 115.125 116.422 -1.297 19904 380 1 . 1 1 66 66 ASP HA H 66 4.326 4.326 4.342 -0.016 19904 381 1 . 1 1 66 66 ASP C C 66 174.721 174.721 175.417 -0.696 19904 382 1 . 1 1 66 66 ASP CA C 66 55.771 55.771 55.136 0.635 19904 383 1 . 1 1 66 66 ASP CB C 66 41.983 41.983 40.803 1.180 19904 384 1 . 1 1 66 66 ASP H H 66 7.446 7.446 8.017 -0.571 19904 385 1 . 1 1 67 67 PHE N N 67 111.221 111.221 116.236 -5.015 19904 386 1 . 1 1 67 67 PHE HA H 67 4.691 4.691 4.588 0.103 19904 387 1 . 1 1 67 67 PHE C C 67 174.114 174.114 175.817 -1.703 19904 388 1 . 1 1 67 67 PHE CA C 67 58.940 58.940 57.447 1.493 19904 389 1 . 1 1 67 67 PHE CB C 67 42.781 42.781 40.514 2.267 19904 390 1 . 1 1 67 67 PHE H H 67 8.044 8.044 7.089 0.955 19904 391 1 . 1 1 68 68 SER N N 68 110.726 110.726 117.643 -6.917 19904 392 1 . 1 1 68 68 SER HA H 68 4.313 4.313 4.384 -0.071 19904 393 1 . 1 1 68 68 SER C C 68 174.559 174.559 174.590 -0.031 19904 394 1 . 1 1 68 68 SER CA C 68 58.905 58.905 59.503 -0.599 19904 395 1 . 1 1 68 68 SER CB C 68 65.317 65.317 63.466 1.851 19904 396 1 . 1 1 68 68 SER H H 68 8.462 8.462 7.840 0.622 19904 397 1 . 1 1 69 69 GLU N N 69 126.213 126.213 128.492 -2.279 19904 398 1 . 1 1 69 69 GLU HA H 69 4.650 4.650 4.628 0.022 19904 399 1 . 1 1 69 69 GLU C C 69 172.201 172.201 175.021 -2.820 19904 400 1 . 1 1 69 69 GLU CA C 69 55.493 55.493 55.290 0.203 19904 401 1 . 1 1 69 69 GLU CB C 69 29.575 29.575 30.461 -0.886 19904 402 1 . 1 1 69 69 GLU H H 69 9.298 9.298 8.236 1.062 19904 403 1 . 1 1 70 70 CYS N N 70 124.210 124.210 119.620 4.590 19904 404 1 . 1 1 70 70 CYS HA H 70 4.310 4.310 4.854 -0.544 19904 405 1 . 1 1 70 70 CYS C C 70 173.632 173.632 176.740 -3.108 19904 406 1 . 1 1 70 70 CYS CA C 70 58.718 58.718 56.911 1.807 19904 407 1 . 1 1 70 70 CYS CB C 70 30.055 30.055 31.299 -1.244 19904 408 1 . 1 1 70 70 CYS H H 70 7.610 7.610 8.257 -0.647 19904 409 1 . 1 1 71 71 GLY N N 71 118.767 118.767 109.324 9.443 19904 410 1 . 1 1 71 71 GLY C C 71 174.447 174.447 175.875 -1.428 19904 411 1 . 1 1 71 71 GLY CA C 71 47.313 47.313 46.979 0.334 19904 412 1 . 1 1 71 71 GLY H H 71 8.712 8.712 8.788 -0.076 19904 413 1 . 1 1 72 72 SER N N 72 123.624 123.624 116.266 7.358 19904 414 1 . 1 1 72 72 SER HA H 72 4.146 4.146 4.321 -0.175 19904 415 1 . 1 1 72 72 SER C C 72 175.737 175.737 175.412 0.325 19904 416 1 . 1 1 72 72 SER CA C 72 61.353 61.353 58.964 2.389 19904 417 1 . 1 1 72 72 SER CB C 72 62.668 62.668 62.578 0.090 19904 418 1 . 1 1 72 72 SER H H 72 10.436 10.436 8.053 2.383 19904 419 1 . 1 1 73 73 ALA N N 73 128.994 128.994 125.700 3.294 19904 420 1 . 1 1 73 73 ALA HA H 73 3.991 3.991 4.027 -0.036 19904 421 1 . 1 1 73 73 ALA C C 73 176.885 176.885 178.973 -2.088 19904 422 1 . 1 1 73 73 ALA CA C 73 55.115 55.115 55.091 0.024 19904 423 1 . 1 1 73 73 ALA CB C 73 18.363 18.363 18.229 0.135 19904 424 1 . 1 1 73 73 ALA H H 73 8.480 8.480 8.441 0.039 19904 425 1 . 1 1 74 74 LYS N N 74 119.815 119.815 117.577 2.238 19904 426 1 . 1 1 74 74 LYS HA H 74 4.146 4.146 4.052 0.094 19904 427 1 . 1 1 74 74 LYS C C 74 173.942 173.942 177.745 -3.803 19904 428 1 . 1 1 74 74 LYS CA C 74 58.981 58.981 58.569 0.412 19904 429 1 . 1 1 74 74 LYS CB C 74 32.424 32.424 32.556 -0.132 19904 430 1 . 1 1 74 74 LYS H H 74 8.043 8.043 7.685 0.358 19904 431 1 . 1 1 75 75 ARG N N 75 118.332 118.332 116.161 2.171 19904 432 1 . 1 1 75 75 ARG HA H 75 4.742 4.742 4.560 0.182 19904 433 1 . 1 1 75 75 ARG C C 75 173.269 173.269 175.421 -2.152 19904 434 1 . 1 1 75 75 ARG CA C 75 54.048 54.048 54.955 -0.907 19904 435 1 . 1 1 75 75 ARG CB C 75 28.796 28.796 29.848 -1.052 19904 436 1 . 1 1 75 75 ARG H H 75 7.536 7.536 7.906 -0.370 19904 437 1 . 1 1 76 76 ASP N N 76 115.890 115.890 117.900 -2.010 19904 438 1 . 1 1 76 76 ASP HA H 76 4.310 4.310 4.280 0.030 19904 439 1 . 1 1 76 76 ASP C C 76 169.530 169.530 175.852 -6.322 19904 440 1 . 1 1 76 76 ASP CA C 76 56.876 56.876 55.517 1.359 19904 441 1 . 1 1 76 76 ASP CB C 76 39.268 39.268 38.349 0.919 19904 442 1 . 1 1 76 76 ASP H H 76 7.601 7.601 8.514 -0.913 19904 443 1 . 1 1 77 77 GLY N N 77 100.656 100.656 105.071 -4.415 19904 444 1 . 1 1 77 77 GLY C C 77 170.735 170.735 173.392 -2.657 19904 445 1 . 1 1 77 77 GLY CA C 77 56.712 56.712 45.991 10.722 19904 446 1 . 1 1 77 77 GLY H H 77 8.218 8.218 8.091 0.127 19904 447 1 . 1 1 78 78 ASP N N 78 118.744 118.744 119.115 -0.371 19904 448 1 . 1 1 78 78 ASP HA H 78 3.085 3.085 4.968 -1.883 19904 449 1 . 1 1 78 78 ASP C C 78 173.696 173.696 175.592 -1.896 19904 450 1 . 1 1 78 78 ASP CA C 78 54.461 54.461 53.270 1.191 19904 451 1 . 1 1 78 78 ASP CB C 78 41.330 41.330 42.026 -0.696 19904 452 1 . 1 1 78 78 ASP H H 78 6.679 6.679 7.596 -0.917 19904 453 1 . 1 1 79 79 LEU N N 79 127.557 127.557 124.466 3.091 19904 454 1 . 1 1 79 79 LEU HA H 79 4.333 4.333 4.745 -0.412 19904 455 1 . 1 1 79 79 LEU C C 79 175.311 175.311 177.310 -2.000 19904 456 1 . 1 1 79 79 LEU CA C 79 54.093 54.093 54.371 -0.277 19904 457 1 . 1 1 79 79 LEU CB C 79 41.896 41.896 42.300 -0.405 19904 458 1 . 1 1 79 79 LEU H H 79 8.837 8.837 8.183 0.654 19904 459 1 . 1 1 80 80 GLY N N 80 109.745 109.745 110.544 -0.799 19904 460 1 . 1 1 80 80 GLY C C 80 169.506 169.506 173.928 -4.422 19904 461 1 . 1 1 80 80 GLY CA C 80 44.467 44.467 43.878 0.589 19904 462 1 . 1 1 80 80 GLY H H 80 8.744 8.744 8.363 0.381 19904 463 1 . 1 1 81 81 MET N N 81 118.177 118.177 118.432 -0.255 19904 464 1 . 1 1 81 81 MET HA H 81 4.560 4.560 4.291 0.269 19904 465 1 . 1 1 81 81 MET C C 81 173.929 173.929 175.983 -2.054 19904 466 1 . 1 1 81 81 MET CA C 81 53.095 53.095 56.282 -3.187 19904 467 1 . 1 1 81 81 MET CB C 81 29.720 29.720 31.681 -1.961 19904 468 1 . 1 1 81 81 MET H H 81 7.894 7.894 8.083 -0.189 19904 469 1 . 1 1 82 82 VAL N N 82 129.209 129.209 121.398 7.811 19904 470 1 . 1 1 82 82 VAL HA H 82 4.257 4.257 4.560 -0.303 19904 471 1 . 1 1 82 82 VAL C C 82 172.520 172.520 174.739 -2.219 19904 472 1 . 1 1 82 82 VAL CA C 82 61.786 61.786 60.373 1.413 19904 473 1 . 1 1 82 82 VAL CB C 82 33.979 33.979 34.225 -0.246 19904 474 1 . 1 1 82 82 VAL H H 82 9.085 9.085 8.711 0.374 19904 475 1 . 1 1 83 83 GLU N N 83 125.940 125.940 125.680 0.260 19904 476 1 . 1 1 83 83 GLU HA H 83 4.949 4.949 4.843 0.106 19904 477 1 . 1 1 83 83 GLU C C 83 175.328 175.328 175.833 -0.505 19904 478 1 . 1 1 83 83 GLU CA C 83 54.236 54.236 54.408 -0.172 19904 479 1 . 1 1 83 83 GLU CB C 83 31.344 31.344 32.562 -1.218 19904 480 1 . 1 1 83 83 GLU H H 83 8.608 8.608 8.656 -0.048 19904 481 1 . 1 1 84 84 SER N N 84 121.587 121.587 119.969 1.618 19904 482 1 . 1 1 84 84 SER HA H 84 4.009 4.009 3.581 0.428 19904 483 1 . 1 1 84 84 SER C C 84 172.341 172.341 175.088 -2.747 19904 484 1 . 1 1 84 84 SER CA C 84 59.451 59.451 59.703 -0.252 19904 485 1 . 1 1 84 84 SER CB C 84 62.340 62.340 62.786 -0.446 19904 486 1 . 1 1 84 84 SER H H 84 8.737 8.737 8.311 0.426 19904 487 1 . 1 1 85 85 GLY N N 85 114.678 114.678 115.411 -0.733 19904 488 1 . 1 1 85 85 GLY C C 85 172.501 172.501 174.971 -2.470 19904 489 1 . 1 1 85 85 GLY CA C 85 45.190 45.190 45.233 -0.043 19904 490 1 . 1 1 85 85 GLY H H 85 10.247 10.247 8.510 1.737 19904 491 1 . 1 1 86 86 THR N N 86 117.468 117.468 114.701 2.767 19904 492 1 . 1 1 86 86 THR HA H 86 4.026 4.026 4.180 -0.154 19904 493 1 . 1 1 86 86 THR C C 86 172.415 172.415 175.433 -3.018 19904 494 1 . 1 1 86 86 THR CA C 86 64.666 64.666 63.631 1.035 19904 495 1 . 1 1 86 86 THR CB C 86 69.421 69.421 69.661 -0.240 19904 496 1 . 1 1 86 86 THR H H 86 8.398 8.398 7.908 0.490 19904 497 1 . 1 1 87 87 TYR N N 87 123.120 123.120 121.744 1.376 19904 498 1 . 1 1 87 87 TYR HA H 87 4.355 4.355 4.397 -0.042 19904 499 1 . 1 1 87 87 TYR C C 87 172.035 172.035 175.628 -3.593 19904 500 1 . 1 1 87 87 TYR CA C 87 57.361 57.361 57.998 -0.637 19904 501 1 . 1 1 87 87 TYR CB C 87 38.651 38.651 39.139 -0.488 19904 502 1 . 1 1 87 87 TYR H H 87 8.869 8.869 8.186 0.683 19904 503 1 . 1 1 88 88 THR N N 88 109.212 109.212 112.122 -2.910 19904 504 1 . 1 1 88 88 THR HA H 88 4.304 4.304 4.385 -0.082 19904 505 1 . 1 1 88 88 THR C C 88 172.134 172.134 174.598 -2.464 19904 506 1 . 1 1 88 88 THR CA C 88 61.468 61.468 61.145 0.323 19904 507 1 . 1 1 88 88 THR CB C 88 70.553 70.553 70.019 0.534 19904 508 1 . 1 1 88 88 THR H H 88 7.339 7.339 8.077 -0.738 19904 509 1 . 1 1 89 89 GLU N N 89 122.460 122.460 122.333 0.127 19904 510 1 . 1 1 89 89 GLU HA H 89 4.058 4.058 3.843 0.215 19904 511 1 . 1 1 89 89 GLU C C 89 175.844 175.844 177.666 -1.822 19904 512 1 . 1 1 89 89 GLU CA C 89 59.853 59.853 58.549 1.305 19904 513 1 . 1 1 89 89 GLU CB C 89 29.322 29.322 29.788 -0.466 19904 514 1 . 1 1 89 89 GLU H H 89 8.819 8.819 8.528 0.291 19904 515 1 . 1 1 90 90 GLY N N 90 107.861 107.861 113.365 -5.504 19904 516 1 . 1 1 90 90 GLY C C 90 172.835 172.835 174.304 -1.469 19904 517 1 . 1 1 90 90 GLY CA C 90 46.411 46.411 45.477 0.934 19904 518 1 . 1 1 90 90 GLY H H 90 8.734 8.734 9.161 -0.427 19904 519 1 . 1 1 91 91 PHE N N 91 120.792 120.792 122.085 -1.293 19904 520 1 . 1 1 91 91 PHE HA H 91 3.691 3.691 4.433 -0.742 19904 521 1 . 1 1 91 91 PHE C C 91 173.756 173.756 175.564 -1.808 19904 522 1 . 1 1 91 91 PHE CA C 91 60.625 60.625 60.492 0.133 19904 523 1 . 1 1 91 91 PHE CB C 91 39.869 39.869 40.310 -0.441 19904 524 1 . 1 1 91 91 PHE H H 91 7.392 7.392 7.596 -0.204 19904 525 1 . 1 1 92 92 ASP N N 92 119.990 119.990 118.508 1.482 19904 526 1 . 1 1 92 92 ASP HA H 92 4.473 4.473 4.635 -0.162 19904 527 1 . 1 1 92 92 ASP C C 92 176.108 176.108 178.453 -2.345 19904 528 1 . 1 1 92 92 ASP CA C 92 57.792 57.792 57.541 0.251 19904 529 1 . 1 1 92 92 ASP CB C 92 40.222 40.222 40.488 -0.266 19904 530 1 . 1 1 92 92 ASP H H 92 8.339 8.339 8.150 0.189 19904 531 1 . 1 1 93 93 THR N N 93 114.592 114.592 113.249 1.343 19904 532 1 . 1 1 93 93 THR HA H 93 3.807 3.807 4.112 -0.305 19904 533 1 . 1 1 93 93 THR C C 93 173.478 173.478 175.541 -2.063 19904 534 1 . 1 1 93 93 THR CA C 93 66.000 66.000 65.199 0.801 19904 535 1 . 1 1 93 93 THR CB C 93 68.763 68.763 68.547 0.216 19904 536 1 . 1 1 93 93 THR H H 93 8.609 8.609 8.420 0.189 19904 537 1 . 1 1 94 94 VAL N N 94 118.669 118.669 120.907 -2.238 19904 538 1 . 1 1 94 94 VAL HA H 94 3.688 3.688 4.005 -0.317 19904 539 1 . 1 1 94 94 VAL C C 94 176.137 176.137 177.136 -0.999 19904 540 1 . 1 1 94 94 VAL CA C 94 64.692 64.692 64.471 0.221 19904 541 1 . 1 1 94 94 VAL CB C 94 32.207 32.207 31.617 0.590 19904 542 1 . 1 1 94 94 VAL H H 94 6.772 6.772 7.305 -0.533 19904 543 1 . 1 1 95 95 ALA N N 95 123.356 123.356 123.096 0.259 19904 544 1 . 1 1 95 95 ALA HA H 95 3.128 3.128 3.720 -0.592 19904 545 1 . 1 1 95 95 ALA C C 95 177.254 177.254 178.301 -1.047 19904 546 1 . 1 1 95 95 ALA CA C 95 55.202 55.202 54.750 0.452 19904 547 1 . 1 1 95 95 ALA CB C 95 17.905 17.905 18.100 -0.195 19904 548 1 . 1 1 95 95 ALA H H 95 8.890 8.890 8.103 0.787 19904 549 1 . 1 1 96 96 PHE N N 96 111.667 111.667 113.286 -1.619 19904 550 1 . 1 1 96 96 PHE HA H 96 4.170 4.170 4.599 -0.429 19904 551 1 . 1 1 96 96 PHE C C 96 171.898 171.898 176.716 -4.818 19904 552 1 . 1 1 96 96 PHE CA C 96 61.633 61.633 58.842 2.791 19904 553 1 . 1 1 96 96 PHE CB C 96 36.448 36.448 39.179 -2.731 19904 554 1 . 1 1 96 96 PHE H H 96 8.431 8.431 8.046 0.385 19904 555 1 . 1 1 97 97 SER N N 97 113.144 113.144 115.740 -2.596 19904 556 1 . 1 1 97 97 SER HA H 97 4.635 4.635 4.515 0.120 19904 557 1 . 1 1 97 97 SER C C 97 172.020 172.020 175.079 -3.059 19904 558 1 . 1 1 97 97 SER CA C 97 58.521 58.521 59.621 -1.100 19904 559 1 . 1 1 97 97 SER CB C 97 64.820 64.820 64.080 0.740 19904 560 1 . 1 1 97 97 SER H H 97 7.348 7.348 7.767 -0.419 19904 561 1 . 1 1 98 98 LEU N N 98 121.390 121.390 120.871 0.519 19904 562 1 . 1 1 98 98 LEU HA H 98 4.131 4.131 4.149 -0.018 19904 563 1 . 1 1 98 98 LEU C C 98 175.754 175.754 176.373 -0.619 19904 564 1 . 1 1 98 98 LEU CA C 98 55.059 55.059 55.498 -0.439 19904 565 1 . 1 1 98 98 LEU CB C 98 42.757 42.757 41.849 0.908 19904 566 1 . 1 1 98 98 LEU H H 98 6.790 6.790 7.885 -1.095 19904 567 1 . 1 1 99 99 LYS N N 99 124.409 124.409 119.058 5.351 19904 568 1 . 1 1 99 99 LYS HA H 99 4.245 4.245 4.349 -0.104 19904 569 1 . 1 1 99 99 LYS C C 99 173.517 173.517 176.271 -2.754 19904 570 1 . 1 1 99 99 LYS CA C 99 55.439 55.439 55.418 0.021 19904 571 1 . 1 1 99 99 LYS CB C 99 32.792 32.792 33.729 -0.937 19904 572 1 . 1 1 99 99 LYS H H 99 9.086 9.086 8.292 0.794 19904 573 1 . 1 1 100 100 SER N N 100 115.642 115.642 115.615 0.027 19904 574 1 . 1 1 100 100 SER HA H 100 3.294 3.294 4.169 -0.875 19904 575 1 . 1 1 100 100 SER C C 100 172.722 172.722 175.499 -2.777 19904 576 1 . 1 1 100 100 SER CA C 100 60.816 60.816 59.994 0.822 19904 577 1 . 1 1 100 100 SER CB C 100 62.342 62.342 62.990 -0.648 19904 578 1 . 1 1 100 100 SER H H 100 8.469 8.469 8.349 0.120 19904 579 1 . 1 1 101 101 GLY N N 101 114.871 114.871 113.062 1.809 19904 580 1 . 1 1 101 101 GLY C C 101 169.465 169.465 173.370 -3.905 19904 581 1 . 1 1 101 101 GLY CA C 101 45.415 45.415 45.618 -0.203 19904 582 1 . 1 1 101 101 GLY H H 101 8.486 8.486 8.610 -0.123 19904 583 1 . 1 1 102 102 GLU N N 102 119.387 119.387 117.826 1.560 19904 584 1 . 1 1 102 102 GLU HA H 102 4.742 4.742 4.966 -0.224 19904 585 1 . 1 1 102 102 GLU C C 102 171.675 171.675 174.626 -2.951 19904 586 1 . 1 1 102 102 GLU CA C 102 55.276 55.276 54.555 0.721 19904 587 1 . 1 1 102 102 GLU CB C 102 32.307 32.307 34.018 -1.711 19904 588 1 . 1 1 102 102 GLU H H 102 7.594 7.594 7.551 0.043 19904 589 1 . 1 1 103 103 VAL N N 103 119.700 119.700 121.812 -2.112 19904 590 1 . 1 1 103 103 VAL HA H 103 4.836 4.836 4.346 0.490 19904 591 1 . 1 1 103 103 VAL C C 103 173.611 173.611 175.991 -2.380 19904 592 1 . 1 1 103 103 VAL CA C 103 58.953 58.953 61.172 -2.219 19904 593 1 . 1 1 103 103 VAL CB C 103 33.653 33.653 33.257 0.396 19904 594 1 . 1 1 103 103 VAL H H 103 7.884 7.884 8.634 -0.750 19904 595 1 . 1 1 104 104 SER N N 104 123.705 123.705 122.988 0.717 19904 596 1 . 1 1 104 104 SER HA H 104 4.045 4.045 4.416 -0.371 19904 597 1 . 1 1 104 104 SER C C 104 170.420 170.420 174.427 -4.007 19904 598 1 . 1 1 104 104 SER CA C 104 58.515 58.515 58.035 0.480 19904 599 1 . 1 1 104 104 SER CB C 104 66.400 66.400 64.116 2.284 19904 600 1 . 1 1 104 104 SER H H 104 9.056 9.056 8.673 0.383 19904 601 1 . 1 1 105 105 ALA N N 105 117.355 117.355 123.543 -6.188 19904 602 1 . 1 1 105 105 ALA HA H 105 4.395 4.395 4.350 0.045 19904 603 1 . 1 1 105 105 ALA C C 105 172.593 172.593 176.198 -3.605 19904 604 1 . 1 1 105 105 ALA CA C 105 51.112 51.112 51.188 -0.076 19904 605 1 . 1 1 105 105 ALA CB C 105 16.566 16.566 18.086 -1.520 19904 606 1 . 1 1 105 105 ALA H H 105 7.269 7.269 8.345 -1.076 19904 607 1 . 1 1 106 106 PRO HA H 106 4.684 4.684 4.330 0.354 19904 608 1 . 1 1 106 106 PRO C C 106 174.527 174.527 175.670 -1.143 19904 609 1 . 1 1 106 106 PRO CA C 106 63.191 63.191 62.682 0.509 19904 610 1 . 1 1 106 106 PRO CB C 106 30.197 30.197 30.682 -0.485 19904 611 1 . 1 1 107 107 VAL N N 107 124.996 124.996 124.786 0.210 19904 612 1 . 1 1 107 107 VAL HA H 107 4.410 4.410 4.058 0.352 19904 613 1 . 1 1 107 107 VAL C C 107 171.642 171.642 175.635 -3.993 19904 614 1 . 1 1 107 107 VAL CA C 107 60.030 60.030 62.933 -2.903 19904 615 1 . 1 1 107 107 VAL CB C 107 34.707 34.707 32.791 1.916 19904 616 1 . 1 1 107 107 VAL H H 107 8.969 8.969 7.942 1.027 19904 617 1 . 1 1 108 108 GLU N N 108 128.257 128.257 126.602 1.655 19904 618 1 . 1 1 108 108 GLU HA H 108 5.188 5.188 5.106 0.082 19904 619 1 . 1 1 108 108 GLU C C 108 173.786 173.786 175.782 -1.996 19904 620 1 . 1 1 108 108 GLU CA C 108 56.033 56.033 55.294 0.739 19904 621 1 . 1 1 108 108 GLU CB C 108 31.648 31.648 33.146 -1.498 19904 622 1 . 1 1 108 108 GLU H H 108 8.971 8.971 8.665 0.306 19904 623 1 . 1 1 109 109 THR N N 109 115.774 115.774 119.038 -3.264 19904 624 1 . 1 1 109 109 THR HA H 109 4.828 4.828 4.768 0.060 19904 625 1 . 1 1 109 109 THR C C 109 173.458 173.458 174.014 -0.556 19904 626 1 . 1 1 109 109 THR CA C 109 61.175 61.175 60.301 0.873 19904 627 1 . 1 1 109 109 THR CB C 109 72.651 72.651 70.719 1.932 19904 628 1 . 1 1 109 109 THR H H 109 9.378 9.378 8.777 0.601 19904 629 1 . 1 1 110 110 GLU N N 110 118.681 118.681 120.652 -1.971 19904 630 1 . 1 1 110 110 GLU HA H 110 4.354 4.354 4.108 0.245 19904 631 1 . 1 1 110 110 GLU C C 110 174.619 174.619 177.511 -2.892 19904 632 1 . 1 1 110 110 GLU CA C 110 58.130 58.130 58.857 -0.727 19904 633 1 . 1 1 110 110 GLU CB C 110 28.500 28.500 29.412 -0.912 19904 634 1 . 1 1 110 110 GLU H H 110 9.445 9.445 8.798 0.647 19904 635 1 . 1 1 111 111 LEU N N 111 118.396 118.396 117.417 0.979 19904 636 1 . 1 1 111 111 LEU HA H 111 4.235 4.235 4.345 -0.110 19904 637 1 . 1 1 111 111 LEU C C 111 173.650 173.650 177.276 -3.627 19904 638 1 . 1 1 111 111 LEU CA C 111 55.074 55.074 55.912 -0.838 19904 639 1 . 1 1 111 111 LEU CB C 111 41.376 41.376 42.753 -1.377 19904 640 1 . 1 1 111 111 LEU H H 111 8.849 8.849 7.940 0.910 19904 641 1 . 1 1 112 112 GLY N N 112 103.523 103.523 101.863 1.660 19904 642 1 . 1 1 112 112 GLY C C 112 166.641 166.641 172.091 -5.450 19904 643 1 . 1 1 112 112 GLY CA C 112 43.820 43.820 45.061 -1.241 19904 644 1 . 1 1 112 112 GLY H H 112 7.437 7.437 7.687 -0.250 19904 645 1 . 1 1 113 113 VAL N N 113 121.766 121.766 121.726 0.040 19904 646 1 . 1 1 113 113 VAL HA H 113 4.636 4.636 4.875 -0.239 19904 647 1 . 1 1 113 113 VAL C C 113 171.516 171.516 175.634 -4.118 19904 648 1 . 1 1 113 113 VAL CA C 113 61.125 61.125 61.751 -0.626 19904 649 1 . 1 1 113 113 VAL CB C 113 32.510 32.510 32.119 0.391 19904 650 1 . 1 1 113 113 VAL H H 113 8.870 8.870 7.983 0.887 19904 651 1 . 1 1 114 114 HIS N N 114 125.383 125.383 127.228 -1.845 19904 652 1 . 1 1 114 114 HIS HA H 114 5.669 5.669 5.641 0.028 19904 653 1 . 1 1 114 114 HIS C C 114 174.524 174.524 173.906 0.618 19904 654 1 . 1 1 114 114 HIS CA C 114 53.960 53.960 54.321 -0.361 19904 655 1 . 1 1 114 114 HIS CB C 114 30.978 30.978 33.205 -2.227 19904 656 1 . 1 1 114 114 HIS H H 114 9.850 9.850 9.229 0.621 19904 657 1 . 1 1 115 115 LEU N N 115 117.609 117.609 123.641 -6.033 19904 658 1 . 1 1 115 115 LEU HA H 115 4.330 4.330 4.671 -0.342 19904 659 1 . 1 1 115 115 LEU C C 115 172.779 172.779 175.193 -2.414 19904 660 1 . 1 1 115 115 LEU CA C 115 54.545 54.545 54.514 0.031 19904 661 1 . 1 1 115 115 LEU CB C 115 43.651 43.651 44.481 -0.830 19904 662 1 . 1 1 115 115 LEU H H 115 8.459 8.459 8.319 0.140 19904 663 1 . 1 1 116 116 ILE N N 116 124.233 124.233 124.636 -0.403 19904 664 1 . 1 1 116 116 ILE HA H 116 4.391 4.391 4.820 -0.429 19904 665 1 . 1 1 116 116 ILE C C 116 169.528 169.528 174.237 -4.709 19904 666 1 . 1 1 116 116 ILE CA C 116 60.408 60.408 59.360 1.048 19904 667 1 . 1 1 116 116 ILE CB C 116 40.360 40.360 39.760 0.600 19904 668 1 . 1 1 116 116 ILE H H 116 8.597 8.597 8.132 0.465 19904 669 1 . 1 1 117 117 TYR N N 117 126.661 126.661 121.825 4.836 19904 670 1 . 1 1 117 117 TYR HA H 117 5.020 5.020 4.937 0.083 19904 671 1 . 1 1 117 117 TYR C C 117 171.915 171.915 172.570 -0.655 19904 672 1 . 1 1 117 117 TYR CA C 117 54.073 54.073 55.573 -1.500 19904 673 1 . 1 1 117 117 TYR CB C 117 40.842 40.842 41.279 -0.437 19904 674 1 . 1 1 117 117 TYR H H 117 8.646 8.646 7.648 0.998 19904 675 1 . 1 1 118 118 ARG N N 118 126.514 126.514 122.913 3.601 19904 676 1 . 1 1 118 118 ARG HA H 118 4.686 4.686 4.305 0.381 19904 677 1 . 1 1 118 118 ARG C C 118 171.048 171.048 173.907 -2.859 19904 678 1 . 1 1 118 118 ARG CA C 118 54.269 54.269 54.497 -0.228 19904 679 1 . 1 1 118 118 ARG CB C 118 30.628 30.628 31.622 -0.994 19904 680 1 . 1 1 118 118 ARG H H 118 7.162 7.162 7.931 -0.769 19904 681 1 . 1 1 119 119 VAL N N 119 124.856 124.856 124.395 0.461 19904 682 1 . 1 1 119 119 VAL HA H 119 3.446 3.446 4.113 -0.667 19904 683 1 . 1 1 119 119 VAL C C 119 171.576 171.576 175.174 -3.598 19904 684 1 . 1 1 119 119 VAL CA C 119 62.315 62.315 59.544 2.771 19904 685 1 . 1 1 119 119 VAL CB C 119 32.676 32.676 34.954 -2.278 19904 686 1 . 1 1 119 119 VAL H H 119 7.418 7.418 7.956 -0.538 19904 stop_ save_