data_19955 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19955 _Entry.PDB_ID 2MOX 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 19955 _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 1 790 790 MET HA H 790 4.396 4.396 4.222 0.174 19955 2 1 1 . 1 1 790 790 MET CA C 790 55.378 55.378 55.219 0.159 19955 3 1 1 . 1 1 790 790 MET CB C 790 32.960 32.960 32.480 0.479 19955 4 1 1 . 1 1 791 791 SER N N 791 118.373 118.373 116.672 1.701 19955 5 1 1 . 1 1 791 791 SER HA H 791 4.362 4.362 4.788 -0.426 19955 6 1 1 . 1 1 791 791 SER C C 791 175.043 175.043 174.256 0.787 19955 7 1 1 . 1 1 791 791 SER CA C 791 58.532 58.532 58.137 0.395 19955 8 1 1 . 1 1 791 791 SER CB C 791 63.749 63.749 64.823 -1.074 19955 9 1 1 . 1 1 791 791 SER H H 791 8.657 8.657 8.222 0.435 19955 10 1 1 . 1 1 792 792 GLY N N 792 111.254 111.254 113.626 -2.372 19955 11 1 1 . 1 1 792 792 GLY C C 792 174.362 174.362 174.697 -0.335 19955 12 1 1 . 1 1 792 792 GLY CA C 792 45.539 45.539 44.760 0.779 19955 13 1 1 . 1 1 792 792 GLY H H 792 8.560 8.560 8.519 0.041 19955 14 1 1 . 1 1 793 793 SER N N 793 115.369 115.369 116.718 -1.349 19955 15 1 1 . 1 1 793 793 SER HA H 793 4.409 4.409 4.435 -0.026 19955 16 1 1 . 1 1 793 793 SER C C 793 174.396 174.396 174.606 -0.210 19955 17 1 1 . 1 1 793 793 SER CA C 793 58.485 58.485 58.444 0.042 19955 18 1 1 . 1 1 793 793 SER CB C 793 63.845 63.845 63.983 -0.138 19955 19 1 1 . 1 1 793 793 SER H H 793 8.102 8.102 8.238 -0.136 19955 20 1 1 . 1 1 794 794 GLU N N 794 122.660 122.660 122.841 -0.181 19955 21 1 1 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.346 -0.136 19955 22 1 1 . 1 1 794 794 GLU C C 794 175.970 175.970 177.120 -1.150 19955 23 1 1 . 1 1 794 794 GLU CA C 794 56.849 56.849 56.420 0.429 19955 24 1 1 . 1 1 794 794 GLU CB C 794 30.261 30.261 30.255 0.006 19955 25 1 1 . 1 1 794 794 GLU H H 794 8.565 8.565 8.438 0.127 19955 26 1 1 . 1 1 795 795 MET N N 795 119.544 119.544 119.996 -0.452 19955 27 1 1 . 1 1 795 795 MET HA H 795 4.653 4.653 4.729 -0.076 19955 28 1 1 . 1 1 795 795 MET C C 795 175.590 175.590 175.984 -0.394 19955 29 1 1 . 1 1 795 795 MET CA C 795 55.135 55.135 55.895 -0.760 19955 30 1 1 . 1 1 795 795 MET CB C 795 32.378 32.378 33.833 -1.455 19955 31 1 1 . 1 1 795 795 MET H H 795 8.156 8.156 8.440 -0.284 19955 32 1 1 . 1 1 796 796 ARG N N 796 122.177 122.177 119.434 2.743 19955 33 1 1 . 1 1 796 796 ARG HA H 796 4.911 4.911 5.073 -0.162 19955 34 1 1 . 1 1 796 796 ARG C C 796 173.378 173.378 174.311 -0.933 19955 35 1 1 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.077 -0.142 19955 36 1 1 . 1 1 796 796 ARG CB C 796 32.172 32.172 31.808 0.364 19955 37 1 1 . 1 1 796 796 ARG H H 796 8.358 8.358 8.426 -0.068 19955 38 1 1 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.169 0.527 19955 39 1 1 . 1 1 797 797 PRO C C 797 175.805 175.805 175.127 0.678 19955 40 1 1 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.551 -0.394 19955 41 1 1 . 1 1 797 797 PRO CB C 797 32.377 32.377 31.762 0.615 19955 42 1 1 . 1 1 798 798 ALA N N 798 123.383 123.383 126.219 -2.836 19955 43 1 1 . 1 1 798 798 ALA HA H 798 4.699 4.699 5.174 -0.475 19955 44 1 1 . 1 1 798 798 ALA C C 798 173.534 173.534 175.487 -1.953 19955 45 1 1 . 1 1 798 798 ALA CA C 798 50.823 50.823 49.591 1.232 19955 46 1 1 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.015 0.708 19955 47 1 1 . 1 1 798 798 ALA H H 798 8.820 8.820 9.116 -0.296 19955 48 1 1 . 1 1 799 799 ARG N N 799 118.968 118.968 122.391 -3.423 19955 49 1 1 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.645 0.696 19955 50 1 1 . 1 1 799 799 ARG C C 799 176.215 176.215 175.107 1.108 19955 51 1 1 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.092 -0.970 19955 52 1 1 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.465 0.974 19955 53 1 1 . 1 1 799 799 ARG H H 799 8.803 8.803 8.432 0.371 19955 54 1 1 . 1 1 800 800 ALA N N 800 128.073 128.073 130.146 -2.073 19955 55 1 1 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.502 0.035 19955 56 1 1 . 1 1 800 800 ALA C C 800 178.146 178.146 176.797 1.349 19955 57 1 1 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.982 0.226 19955 58 1 1 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.075 -0.421 19955 59 1 1 . 1 1 800 800 ALA H H 800 9.037 9.037 8.732 0.305 19955 60 1 1 . 1 1 801 801 LYS N N 801 127.334 127.334 127.260 0.074 19955 61 1 1 . 1 1 801 801 LYS HA H 801 3.758 3.758 3.872 -0.114 19955 62 1 1 . 1 1 801 801 LYS C C 801 174.213 174.213 175.950 -1.737 19955 63 1 1 . 1 1 801 801 LYS CA C 801 57.344 57.344 58.564 -1.220 19955 64 1 1 . 1 1 801 801 LYS CB C 801 33.647 33.647 32.981 0.666 19955 65 1 1 . 1 1 801 801 LYS H H 801 9.291 9.291 8.565 0.726 19955 66 1 1 . 1 1 802 802 PHE N N 802 111.696 111.696 115.132 -3.436 19955 67 1 1 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.667 0.074 19955 68 1 1 . 1 1 802 802 PHE C C 802 173.408 173.408 174.133 -0.725 19955 69 1 1 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.400 -3.031 19955 70 1 1 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.642 0.600 19955 71 1 1 . 1 1 802 802 PHE H H 802 7.069 7.069 7.622 -0.553 19955 72 1 1 . 1 1 803 803 ASP N N 803 117.498 117.498 119.746 -2.248 19955 73 1 1 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.962 -0.438 19955 74 1 1 . 1 1 803 803 ASP C C 803 175.782 175.782 174.956 0.826 19955 75 1 1 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.347 1.379 19955 76 1 1 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.538 -0.384 19955 77 1 1 . 1 1 803 803 ASP H H 803 8.339 8.339 8.708 -0.369 19955 78 1 1 . 1 1 804 804 PHE N N 804 123.264 123.264 121.867 1.397 19955 79 1 1 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.726 0.266 19955 80 1 1 . 1 1 804 804 PHE C C 804 173.750 173.750 173.746 0.004 19955 81 1 1 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.711 -0.490 19955 82 1 1 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.993 -0.861 19955 83 1 1 . 1 1 804 804 PHE H H 804 9.223 9.223 9.239 -0.016 19955 84 1 1 . 1 1 805 805 LYS N N 805 129.548 129.548 128.201 1.347 19955 85 1 1 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.217 -0.096 19955 86 1 1 . 1 1 805 805 LYS C C 805 174.042 174.042 174.402 -0.360 19955 87 1 1 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.667 -0.299 19955 88 1 1 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.415 -1.634 19955 89 1 1 . 1 1 805 805 LYS H H 805 8.125 8.125 8.109 0.016 19955 90 1 1 . 1 1 806 806 ALA N N 806 127.231 127.231 126.997 0.234 19955 91 1 1 . 1 1 806 806 ALA HA H 806 3.882 3.882 3.956 -0.074 19955 92 1 1 . 1 1 806 806 ALA C C 806 178.066 178.066 176.982 1.084 19955 93 1 1 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.476 -0.878 19955 94 1 1 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.141 1.364 19955 95 1 1 . 1 1 806 806 ALA H H 806 7.291 7.291 8.179 -0.888 19955 96 1 1 . 1 1 807 807 GLN N N 807 121.482 121.482 121.806 -0.324 19955 97 1 1 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.357 -0.031 19955 98 1 1 . 1 1 807 807 GLN C C 807 175.927 175.927 176.537 -0.610 19955 99 1 1 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.548 -0.342 19955 100 1 1 . 1 1 807 807 GLN CB C 807 30.942 30.942 30.080 0.862 19955 101 1 1 . 1 1 807 807 GLN H H 807 9.375 9.375 9.002 0.373 19955 102 1 1 . 1 1 808 808 THR N N 808 108.842 108.842 109.846 -1.004 19955 103 1 1 . 1 1 808 808 THR HA H 808 4.661 4.661 4.643 0.018 19955 104 1 1 . 1 1 808 808 THR C C 808 175.262 175.262 174.339 0.923 19955 105 1 1 . 1 1 808 808 THR CA C 808 59.313 59.313 59.830 -0.517 19955 106 1 1 . 1 1 808 808 THR CB C 808 71.810 71.810 71.287 0.523 19955 107 1 1 . 1 1 808 808 THR H H 808 7.472 7.472 7.637 -0.165 19955 108 1 1 . 1 1 809 809 LEU N N 809 119.518 119.518 120.750 -1.232 19955 109 1 1 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.135 0.065 19955 110 1 1 . 1 1 809 809 LEU C C 809 177.895 177.895 177.751 0.144 19955 111 1 1 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.159 -0.072 19955 112 1 1 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.855 0.047 19955 113 1 1 . 1 1 809 809 LEU H H 809 8.387 8.387 8.452 -0.065 19955 114 1 1 . 1 1 810 810 LYS N N 810 115.587 115.587 116.024 -0.437 19955 115 1 1 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.049 0.181 19955 116 1 1 . 1 1 810 810 LYS C C 810 177.172 177.172 176.890 0.282 19955 117 1 1 . 1 1 810 810 LYS CA C 810 56.807 56.807 58.056 -1.248 19955 118 1 1 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.513 0.546 19955 119 1 1 . 1 1 810 810 LYS H H 810 7.707 7.707 7.984 -0.277 19955 120 1 1 . 1 1 811 811 GLU N N 811 119.522 119.522 117.836 1.686 19955 121 1 1 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.317 0.382 19955 122 1 1 . 1 1 811 811 GLU C C 811 174.240 174.240 175.475 -1.235 19955 123 1 1 . 1 1 811 811 GLU CA C 811 55.419 55.419 56.648 -1.229 19955 124 1 1 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.496 1.858 19955 125 1 1 . 1 1 811 811 GLU H H 811 7.244 7.244 7.411 -0.167 19955 126 1 1 . 1 1 812 812 LEU N N 812 126.910 126.910 124.148 2.762 19955 127 1 1 . 1 1 812 812 LEU C C 812 172.269 172.269 175.073 -2.804 19955 128 1 1 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.225 -0.714 19955 129 1 1 . 1 1 812 812 LEU CB C 812 45.092 45.092 42.792 2.300 19955 130 1 1 . 1 1 812 812 LEU H H 812 9.168 9.168 8.536 0.632 19955 131 1 1 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.623 -0.186 19955 132 1 1 . 1 1 813 813 PRO C C 813 176.755 176.755 175.504 1.251 19955 133 1 1 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.224 0.322 19955 134 1 1 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.436 -0.461 19955 135 1 1 . 1 1 814 814 LEU N N 814 118.726 118.726 122.797 -4.071 19955 136 1 1 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.623 0.023 19955 137 1 1 . 1 1 814 814 LEU C C 814 176.452 176.452 175.335 1.117 19955 138 1 1 . 1 1 814 814 LEU CA C 814 53.391 53.391 54.219 -0.828 19955 139 1 1 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.860 0.036 19955 140 1 1 . 1 1 814 814 LEU H H 814 8.532 8.532 8.978 -0.446 19955 141 1 1 . 1 1 815 815 GLN N N 815 123.473 123.473 121.258 2.215 19955 142 1 1 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.599 0.152 19955 143 1 1 . 1 1 815 815 GLN C C 815 174.820 174.820 174.640 0.180 19955 144 1 1 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.780 -0.444 19955 145 1 1 . 1 1 815 815 GLN CB C 815 31.094 31.094 31.808 -0.714 19955 146 1 1 . 1 1 815 815 GLN H H 815 8.938 8.938 8.562 0.376 19955 147 1 1 . 1 1 816 816 LYS N N 816 122.982 122.982 125.210 -2.228 19955 148 1 1 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.795 -0.680 19955 149 1 1 . 1 1 816 816 LYS C C 816 177.030 177.030 177.585 -0.555 19955 150 1 1 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.279 0.397 19955 151 1 1 . 1 1 816 816 LYS CB C 816 32.242 32.242 32.014 0.228 19955 152 1 1 . 1 1 816 816 LYS H H 816 8.888 8.888 8.961 -0.073 19955 153 1 1 . 1 1 817 817 GLY N N 817 115.370 115.370 115.242 0.128 19955 154 1 1 . 1 1 817 817 GLY C C 817 174.271 174.271 174.180 0.091 19955 155 1 1 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.596 0.065 19955 156 1 1 . 1 1 817 817 GLY H H 817 8.870 8.870 8.776 0.094 19955 157 1 1 . 1 1 818 818 ASP N N 818 123.102 123.102 122.546 0.556 19955 158 1 1 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.604 -0.275 19955 159 1 1 . 1 1 818 818 ASP C C 818 175.076 175.076 175.918 -0.842 19955 160 1 1 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.653 0.943 19955 161 1 1 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.694 -0.156 19955 162 1 1 . 1 1 818 818 ASP H H 818 8.468 8.468 8.339 0.129 19955 163 1 1 . 1 1 819 819 ILE N N 819 121.053 121.053 124.945 -3.892 19955 164 1 1 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.578 0.242 19955 165 1 1 . 1 1 819 819 ILE C C 819 175.630 175.630 175.696 -0.066 19955 166 1 1 . 1 1 819 819 ILE CA C 819 58.602 58.602 59.373 -0.771 19955 167 1 1 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.494 -0.953 19955 168 1 1 . 1 1 819 819 ILE H H 819 8.286 8.286 8.280 0.006 19955 169 1 1 . 1 1 820 820 VAL N N 820 124.554 124.554 119.082 5.472 19955 170 1 1 . 1 1 820 820 VAL HA H 820 4.679 4.679 5.218 -0.539 19955 171 1 1 . 1 1 820 820 VAL C C 820 172.751 172.751 174.056 -1.305 19955 172 1 1 . 1 1 820 820 VAL CA C 820 57.861 57.861 59.128 -1.267 19955 173 1 1 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.766 -1.393 19955 174 1 1 . 1 1 820 820 VAL H H 820 8.717 8.717 8.943 -0.226 19955 175 1 1 . 1 1 821 821 TYR N N 821 120.296 120.296 121.760 -1.464 19955 176 1 1 . 1 1 821 821 TYR HA H 821 4.803 4.803 5.314 -0.511 19955 177 1 1 . 1 1 821 821 TYR C C 821 175.760 175.760 176.191 -0.431 19955 178 1 1 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.195 0.643 19955 179 1 1 . 1 1 821 821 TYR CB C 821 40.132 40.132 40.586 -0.453 19955 180 1 1 . 1 1 821 821 TYR H H 821 8.360 8.360 8.696 -0.336 19955 181 1 1 . 1 1 822 822 ILE N N 822 123.440 123.440 125.351 -1.911 19955 182 1 1 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.587 -0.722 19955 183 1 1 . 1 1 822 822 ILE C C 822 176.541 176.541 176.745 -0.204 19955 184 1 1 . 1 1 822 822 ILE CA C 822 62.327 62.327 59.629 2.698 19955 185 1 1 . 1 1 822 822 ILE CB C 822 39.429 39.429 36.193 3.236 19955 186 1 1 . 1 1 822 822 ILE H H 822 8.991 8.991 8.570 0.421 19955 187 1 1 . 1 1 823 823 TYR N N 823 127.197 127.197 125.453 1.744 19955 188 1 1 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.564 0.504 19955 189 1 1 . 1 1 823 823 TYR C C 823 176.327 176.327 174.586 1.741 19955 190 1 1 . 1 1 823 823 TYR CA C 823 56.331 56.331 57.194 -0.863 19955 191 1 1 . 1 1 823 823 TYR CB C 823 38.285 38.285 39.459 -1.174 19955 192 1 1 . 1 1 823 823 TYR H H 823 9.699 9.699 8.149 1.550 19955 193 1 1 . 1 1 824 824 LYS N N 824 113.691 113.691 118.979 -5.288 19955 194 1 1 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.257 0.407 19955 195 1 1 . 1 1 824 824 LYS C C 824 174.044 174.044 173.479 0.565 19955 196 1 1 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.472 -0.171 19955 197 1 1 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.983 0.121 19955 198 1 1 . 1 1 824 824 LYS H H 824 7.904 7.904 6.913 0.991 19955 199 1 1 . 1 1 825 825 GLN N N 825 122.998 122.998 125.213 -2.215 19955 200 1 1 . 1 1 825 825 GLN HA H 825 4.614 4.614 3.923 0.691 19955 201 1 1 . 1 1 825 825 GLN C C 825 175.372 175.372 175.017 0.355 19955 202 1 1 . 1 1 825 825 GLN CA C 825 55.970 55.970 54.779 1.192 19955 203 1 1 . 1 1 825 825 GLN CB C 825 29.014 29.014 28.995 0.019 19955 204 1 1 . 1 1 825 825 GLN H H 825 9.091 9.091 8.600 0.491 19955 205 1 1 . 1 1 826 826 ILE N N 826 126.911 126.911 126.587 0.324 19955 206 1 1 . 1 1 826 826 ILE HA H 826 3.950 3.950 3.823 0.127 19955 207 1 1 . 1 1 826 826 ILE C C 826 175.447 175.447 176.729 -1.282 19955 208 1 1 . 1 1 826 826 ILE CA C 826 62.062 62.062 63.246 -1.184 19955 209 1 1 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.215 -0.036 19955 210 1 1 . 1 1 826 826 ILE H H 826 8.356 8.356 8.490 -0.134 19955 211 1 1 . 1 1 827 827 ASP N N 827 118.575 118.575 115.584 2.991 19955 212 1 1 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.914 -0.495 19955 213 1 1 . 1 1 827 827 ASP C C 827 175.673 175.673 174.963 0.710 19955 214 1 1 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.554 0.701 19955 215 1 1 . 1 1 827 827 ASP CB C 827 40.120 40.120 42.792 -2.672 19955 216 1 1 . 1 1 827 827 ASP H H 827 7.952 7.952 8.096 -0.144 19955 217 1 1 . 1 1 828 828 GLN N N 828 113.633 113.633 117.556 -3.923 19955 218 1 1 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.032 -0.160 19955 219 1 1 . 1 1 828 828 GLN C C 828 175.745 175.745 176.469 -0.724 19955 220 1 1 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.866 -0.605 19955 221 1 1 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.903 -0.405 19955 222 1 1 . 1 1 828 828 GLN H H 828 8.468 8.468 8.355 0.113 19955 223 1 1 . 1 1 829 829 ASN N N 829 114.412 114.412 114.119 0.293 19955 224 1 1 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.561 0.181 19955 225 1 1 . 1 1 829 829 ASN C C 829 175.652 175.652 173.506 2.146 19955 226 1 1 . 1 1 829 829 ASN CA C 829 53.641 53.641 52.733 0.908 19955 227 1 1 . 1 1 829 829 ASN CB C 829 41.815 41.815 38.776 3.039 19955 228 1 1 . 1 1 829 829 ASN H H 829 8.799 8.799 7.910 0.889 19955 229 1 1 . 1 1 830 830 TRP N N 830 121.661 121.661 118.510 3.151 19955 230 1 1 . 1 1 830 830 TRP HA H 830 4.810 4.810 4.902 -0.092 19955 231 1 1 . 1 1 830 830 TRP C C 830 175.077 175.077 174.974 0.103 19955 232 1 1 . 1 1 830 830 TRP CA C 830 57.290 57.290 55.696 1.595 19955 233 1 1 . 1 1 830 830 TRP CB C 830 32.570 32.570 31.331 1.239 19955 234 1 1 . 1 1 830 830 TRP H H 830 8.033 8.033 7.482 0.551 19955 235 1 1 . 1 1 831 831 TYR N N 831 120.163 120.163 121.075 -0.912 19955 236 1 1 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.633 0.412 19955 237 1 1 . 1 1 831 831 TYR C C 831 173.672 173.672 173.182 0.490 19955 238 1 1 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.965 -0.593 19955 239 1 1 . 1 1 831 831 TYR CB C 831 42.726 42.726 42.935 -0.209 19955 240 1 1 . 1 1 831 831 TYR H H 831 8.721 8.721 8.991 -0.270 19955 241 1 1 . 1 1 832 832 GLU N N 832 117.935 117.935 120.915 -2.980 19955 242 1 1 . 1 1 832 832 GLU HA H 832 4.937 4.937 4.749 0.188 19955 243 1 1 . 1 1 832 832 GLU C C 832 176.121 176.121 174.575 1.546 19955 244 1 1 . 1 1 832 832 GLU CA C 832 54.404 54.404 53.918 0.486 19955 245 1 1 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.794 0.161 19955 246 1 1 . 1 1 832 832 GLU H H 832 8.696 8.696 8.093 0.603 19955 247 1 1 . 1 1 833 833 GLY N N 833 115.171 115.171 111.382 3.789 19955 248 1 1 . 1 1 833 833 GLY C C 833 168.962 168.962 171.975 -3.013 19955 249 1 1 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.334 1.289 19955 250 1 1 . 1 1 833 833 GLY H H 833 9.063 9.063 8.031 1.032 19955 251 1 1 . 1 1 834 834 GLU N N 834 117.849 117.849 121.034 -3.185 19955 252 1 1 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.647 0.042 19955 253 1 1 . 1 1 834 834 GLU C C 834 175.077 175.077 175.420 -0.343 19955 254 1 1 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.488 -0.522 19955 255 1 1 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.029 2.015 19955 256 1 1 . 1 1 834 834 GLU H H 834 8.708 8.708 8.991 -0.283 19955 257 1 1 . 1 1 835 835 HIS N N 835 120.973 120.973 125.488 -4.515 19955 258 1 1 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.221 -0.387 19955 259 1 1 . 1 1 835 835 HIS C C 835 174.509 174.509 175.021 -0.512 19955 260 1 1 . 1 1 835 835 HIS CA C 835 56.249 56.249 55.226 1.023 19955 261 1 1 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.999 0.212 19955 262 1 1 . 1 1 835 835 HIS H H 835 8.799 8.799 9.504 -0.705 19955 263 1 1 . 1 1 836 836 HIS N N 836 125.728 125.728 128.059 -2.331 19955 264 1 1 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.074 0.092 19955 265 1 1 . 1 1 836 836 HIS C C 836 175.012 175.012 174.194 0.818 19955 266 1 1 . 1 1 836 836 HIS CA C 836 55.689 55.689 57.375 -1.686 19955 267 1 1 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.943 -0.949 19955 268 1 1 . 1 1 836 836 HIS H H 836 9.163 9.163 9.213 -0.050 19955 269 1 1 . 1 1 837 837 GLY N N 837 104.909 104.909 103.139 1.770 19955 270 1 1 . 1 1 837 837 GLY C C 837 173.235 173.235 173.916 -0.681 19955 271 1 1 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.099 0.555 19955 272 1 1 . 1 1 837 837 GLY H H 837 9.070 9.070 8.459 0.611 19955 273 1 1 . 1 1 838 838 ARG N N 838 122.925 122.925 119.604 3.321 19955 274 1 1 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.823 -0.230 19955 275 1 1 . 1 1 838 838 ARG C C 838 173.682 173.682 174.465 -0.783 19955 276 1 1 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.943 -0.062 19955 277 1 1 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.463 -1.405 19955 278 1 1 . 1 1 838 838 ARG H H 838 7.814 7.814 8.197 -0.383 19955 279 1 1 . 1 1 839 839 VAL N N 839 123.572 123.572 121.480 2.092 19955 280 1 1 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.382 -0.248 19955 281 1 1 . 1 1 839 839 VAL C C 839 177.296 177.296 174.761 2.535 19955 282 1 1 . 1 1 839 839 VAL CA C 839 60.200 60.200 60.021 0.179 19955 283 1 1 . 1 1 839 839 VAL CB C 839 33.994 33.994 34.697 -0.703 19955 284 1 1 . 1 1 839 839 VAL H H 839 8.360 8.360 8.640 -0.280 19955 285 1 1 . 1 1 840 840 GLY N N 840 114.006 114.006 114.173 -0.167 19955 286 1 1 . 1 1 840 840 GLY C C 840 171.246 171.246 171.698 -0.452 19955 287 1 1 . 1 1 840 840 GLY CA C 840 45.896 45.896 45.233 0.664 19955 288 1 1 . 1 1 840 840 GLY H H 840 8.951 8.951 8.283 0.668 19955 289 1 1 . 1 1 841 841 ILE N N 841 112.496 112.496 115.863 -3.367 19955 290 1 1 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.723 1.158 19955 291 1 1 . 1 1 841 841 ILE C C 841 176.120 176.120 173.718 2.402 19955 292 1 1 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.366 1.001 19955 293 1 1 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.482 -0.565 19955 294 1 1 . 1 1 841 841 ILE H H 841 8.434 8.434 7.767 0.667 19955 295 1 1 . 1 1 842 842 PHE N N 842 116.289 116.289 116.699 -0.410 19955 296 1 1 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.706 0.265 19955 297 1 1 . 1 1 842 842 PHE C C 842 171.777 171.777 172.653 -0.876 19955 298 1 1 . 1 1 842 842 PHE CA C 842 54.265 54.265 55.316 -1.051 19955 299 1 1 . 1 1 842 842 PHE CB C 842 37.515 37.515 39.024 -1.509 19955 300 1 1 . 1 1 842 842 PHE H H 842 8.408 8.408 7.990 0.418 19955 301 1 1 . 1 1 843 843 PRO HA H 843 3.934 3.934 4.969 -1.035 19955 302 1 1 . 1 1 843 843 PRO C C 843 178.228 178.228 178.239 -0.011 19955 303 1 1 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.663 -1.050 19955 304 1 1 . 1 1 843 843 PRO CB C 843 31.395 31.395 32.058 -0.663 19955 305 1 1 . 1 1 844 844 ARG N N 844 122.291 122.291 126.335 -4.044 19955 306 1 1 . 1 1 844 844 ARG HA H 844 3.944 3.944 3.946 -0.002 19955 307 1 1 . 1 1 844 844 ARG C C 844 178.171 178.171 178.019 0.152 19955 308 1 1 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.109 -0.491 19955 309 1 1 . 1 1 844 844 ARG CB C 844 30.297 30.297 29.768 0.529 19955 310 1 1 . 1 1 844 844 ARG H H 844 7.906 7.906 8.287 -0.381 19955 311 1 1 . 1 1 845 845 THR N N 845 105.068 105.068 110.483 -5.415 19955 312 1 1 . 1 1 845 845 THR HA H 845 4.159 4.159 4.164 -0.005 19955 313 1 1 . 1 1 845 845 THR C C 845 175.363 175.363 175.208 0.155 19955 314 1 1 . 1 1 845 845 THR CA C 845 63.035 63.035 64.742 -1.706 19955 315 1 1 . 1 1 845 845 THR CB C 845 69.022 69.022 68.498 0.524 19955 316 1 1 . 1 1 845 845 THR H H 845 7.907 7.907 8.260 -0.353 19955 317 1 1 . 1 1 846 846 TYR N N 846 118.977 118.977 120.523 -1.546 19955 318 1 1 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.700 -0.165 19955 319 1 1 . 1 1 846 846 TYR C C 846 174.917 174.917 174.431 0.486 19955 320 1 1 . 1 1 846 846 TYR CA C 846 58.751 58.751 59.318 -0.567 19955 321 1 1 . 1 1 846 846 TYR CB C 846 38.055 38.055 40.214 -2.159 19955 322 1 1 . 1 1 846 846 TYR H H 846 7.611 7.611 8.573 -0.962 19955 323 1 1 . 1 1 847 847 ILE N N 847 113.230 113.230 112.889 0.341 19955 324 1 1 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.160 -0.061 19955 325 1 1 . 1 1 847 847 ILE C C 847 174.141 174.141 174.711 -0.570 19955 326 1 1 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.178 -0.724 19955 327 1 1 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.385 -0.194 19955 328 1 1 . 1 1 847 847 ILE H H 847 7.390 7.390 7.319 0.071 19955 329 1 1 . 1 1 848 848 GLU N N 848 121.909 121.909 120.871 1.038 19955 330 1 1 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.608 -0.060 19955 331 1 1 . 1 1 848 848 GLU C C 848 175.193 175.193 175.275 -0.082 19955 332 1 1 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.635 -0.971 19955 333 1 1 . 1 1 848 848 GLU CB C 848 32.624 32.624 32.073 0.551 19955 334 1 1 . 1 1 848 848 GLU H H 848 8.786 8.786 8.820 -0.034 19955 335 1 1 . 1 1 849 849 LEU N N 849 126.431 126.431 128.041 -1.610 19955 336 1 1 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.196 -0.105 19955 337 1 1 . 1 1 849 849 LEU C C 849 177.019 177.019 176.567 0.452 19955 338 1 1 . 1 1 849 849 LEU CA C 849 55.667 55.667 55.206 0.461 19955 339 1 1 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.179 -0.637 19955 340 1 1 . 1 1 849 849 LEU H H 849 8.730 8.730 8.724 0.006 19955 341 1 1 . 1 1 850 850 LEU N N 850 123.942 123.942 125.946 -2.004 19955 342 1 1 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.128 0.434 19955 343 1 1 . 1 1 850 850 LEU C C 850 174.453 174.453 174.506 -0.053 19955 344 1 1 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.270 -1.465 19955 345 1 1 . 1 1 850 850 LEU CB C 850 40.963 40.963 40.887 0.076 19955 346 1 1 . 1 1 850 850 LEU H H 850 7.846 7.846 8.073 -0.227 19955 347 1 1 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.403 -0.074 19955 348 1 1 . 1 1 852 852 PRO C C 852 176.580 176.580 175.703 0.877 19955 349 1 1 . 1 1 852 852 PRO CA C 852 62.903 62.903 62.768 0.135 19955 350 1 1 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.680 -0.915 19955 351 1 1 . 1 1 853 853 ALA N N 853 124.102 124.102 125.349 -1.247 19955 352 1 1 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.598 -0.358 19955 353 1 1 . 1 1 853 853 ALA C C 853 177.767 177.767 177.713 0.054 19955 354 1 1 . 1 1 853 853 ALA CA C 853 52.258 52.258 51.481 0.777 19955 355 1 1 . 1 1 853 853 ALA CB C 853 19.516 19.516 19.960 -0.444 19955 356 1 1 . 1 1 853 853 ALA H H 853 8.354 8.354 8.213 0.141 19955 357 1 1 . 1 1 854 854 GLU N N 854 120.540 120.540 121.776 -1.236 19955 358 1 1 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.309 -0.106 19955 359 1 1 . 1 1 854 854 GLU C C 854 176.402 176.402 176.462 -0.060 19955 360 1 1 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.708 -0.328 19955 361 1 1 . 1 1 854 854 GLU CB C 854 30.432 30.432 29.994 0.438 19955 362 1 1 . 1 1 854 854 GLU H H 854 8.348 8.348 8.809 -0.461 19955 363 1 1 . 1 1 855 855 LYS N N 855 122.717 122.717 119.426 3.291 19955 364 1 1 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.359 -0.144 19955 365 1 1 . 1 1 855 855 LYS C C 855 176.078 176.078 176.450 -0.372 19955 366 1 1 . 1 1 855 855 LYS CA C 855 56.018 56.018 56.170 -0.152 19955 367 1 1 . 1 1 855 855 LYS CB C 855 33.187 33.187 33.140 0.047 19955 368 1 1 . 1 1 855 855 LYS H H 855 8.305 8.305 7.752 0.553 19955 369 1 1 . 1 1 856 856 ALA N N 856 125.584 125.584 126.293 -0.709 19955 370 1 1 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.107 0.134 19955 371 1 1 . 1 1 856 856 ALA C C 856 177.276 177.276 177.339 -0.063 19955 372 1 1 . 1 1 856 856 ALA CA C 856 52.046 52.046 53.192 -1.146 19955 373 1 1 . 1 1 856 856 ALA CB C 856 19.294 19.294 18.825 0.469 19955 374 1 1 . 1 1 856 856 ALA H H 856 8.219 8.219 8.438 -0.219 19955 375 1 1 . 1 1 857 857 GLN N N 857 121.223 121.223 116.917 4.306 19955 376 1 1 . 1 1 857 857 GLN C C 857 173.964 173.964 174.086 -0.122 19955 377 1 1 . 1 1 857 857 GLN CA C 857 53.490 53.490 55.388 -1.898 19955 378 1 1 . 1 1 857 857 GLN CB C 857 29.040 29.040 27.090 1.950 19955 379 1 1 . 1 1 857 857 GLN H H 857 8.333 8.333 8.177 0.156 19955 380 1 1 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.248 0.090 19955 381 1 1 . 1 1 858 858 PRO C C 858 176.696 176.696 176.575 0.121 19955 382 1 1 . 1 1 858 858 PRO CA C 858 62.910 62.910 63.708 -0.798 19955 383 1 1 . 1 1 858 858 PRO CB C 858 32.075 32.075 31.801 0.274 19955 384 1 1 . 1 1 859 859 LYS N N 859 121.891 121.891 116.077 5.814 19955 385 1 1 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.014 0.176 19955 386 1 1 . 1 1 859 859 LYS C C 859 176.382 176.382 175.863 0.519 19955 387 1 1 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.495 -0.365 19955 388 1 1 . 1 1 859 859 LYS CB C 859 33.070 33.070 30.813 2.257 19955 389 1 1 . 1 1 859 859 LYS H H 859 8.355 8.355 8.244 0.111 19955 390 1 1 . 1 1 860 860 LYS N N 860 123.002 123.002 116.242 6.760 19955 391 1 1 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.045 0.200 19955 392 1 1 . 1 1 860 860 LYS C C 860 176.131 176.131 175.853 0.278 19955 393 1 1 . 1 1 860 860 LYS CA C 860 55.852 55.852 58.148 -2.296 19955 394 1 1 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.049 1.099 19955 395 1 1 . 1 1 860 860 LYS H H 860 8.267 8.267 7.957 0.310 19955 396 1 1 . 1 1 861 861 LEU N N 861 124.576 124.576 116.004 8.572 19955 397 1 1 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.609 -0.253 19955 398 1 1 . 1 1 861 861 LEU C C 861 177.069 177.069 175.722 1.347 19955 399 1 1 . 1 1 861 861 LEU CA C 861 54.795 54.795 54.935 -0.140 19955 400 1 1 . 1 1 861 861 LEU CB C 861 42.350 42.350 43.904 -1.554 19955 401 1 1 . 1 1 861 861 LEU H H 861 8.316 8.316 8.116 0.200 19955 402 1 1 . 1 1 862 862 THR N N 862 117.878 117.878 114.168 3.710 19955 403 1 1 . 1 1 862 862 THR HA H 862 4.729 4.729 4.721 0.008 19955 404 1 1 . 1 1 862 862 THR C C 862 172.639 172.639 172.952 -0.313 19955 405 1 1 . 1 1 862 862 THR CA C 862 59.644 59.644 59.816 -0.172 19955 406 1 1 . 1 1 862 862 THR CB C 862 69.476 69.476 70.174 -0.698 19955 407 1 1 . 1 1 862 862 THR H H 862 8.162 8.162 7.992 0.170 19955 408 1 1 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.502 -0.134 19955 409 1 1 . 1 1 863 863 PRO C C 863 176.753 176.753 176.769 -0.016 19955 410 1 1 . 1 1 863 863 PRO CA C 863 63.192 63.192 63.937 -0.745 19955 411 1 1 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.095 -0.037 19955 412 1 1 . 1 1 864 864 VAL N N 864 120.359 120.359 117.210 3.149 19955 413 1 1 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.210 -0.225 19955 414 1 1 . 1 1 864 864 VAL C C 864 175.964 175.964 175.403 0.561 19955 415 1 1 . 1 1 864 864 VAL CA C 864 62.342 62.342 60.017 2.325 19955 416 1 1 . 1 1 864 864 VAL CB C 864 32.521 32.521 32.342 0.179 19955 417 1 1 . 1 1 864 864 VAL H H 864 8.102 8.102 7.291 0.811 19955 418 1 1 . 1 1 865 865 GLN N N 865 124.642 124.642 117.850 6.792 19955 419 1 1 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.064 0.222 19955 420 1 1 . 1 1 865 865 GLN C C 865 175.443 175.443 174.494 0.949 19955 421 1 1 . 1 1 865 865 GLN CA C 865 55.595 55.595 56.769 -1.174 19955 422 1 1 . 1 1 865 865 GLN CB C 865 29.739 29.739 26.774 2.965 19955 423 1 1 . 1 1 865 865 GLN H H 865 8.333 8.333 8.472 -0.139 19955 424 1 1 . 1 1 866 866 VAL N N 866 123.436 123.436 112.959 10.477 19955 425 1 1 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.384 -0.415 19955 426 1 1 . 1 1 866 866 VAL C C 866 175.685 175.685 174.336 1.349 19955 427 1 1 . 1 1 866 866 VAL CA C 866 62.398 62.398 60.306 2.092 19955 428 1 1 . 1 1 866 866 VAL CB C 866 32.832 32.832 34.437 -1.605 19955 429 1 1 . 1 1 866 866 VAL H H 866 8.189 8.189 7.660 0.529 19955 430 1 1 . 1 1 867 867 LEU N N 867 127.515 127.515 120.023 7.492 19955 431 1 1 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.709 -0.447 19955 432 1 1 . 1 1 867 867 LEU C C 867 177.037 177.037 175.447 1.590 19955 433 1 1 . 1 1 867 867 LEU CA C 867 55.688 55.688 54.212 1.476 19955 434 1 1 . 1 1 867 867 LEU CB C 867 42.552 42.552 44.055 -1.503 19955 435 1 1 . 1 1 867 867 LEU H H 867 8.679 8.679 7.722 0.957 19955 436 1 1 . 1 1 868 868 GLU N N 868 120.794 120.794 120.546 0.248 19955 437 1 1 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.538 -0.319 19955 438 1 1 . 1 1 868 868 GLU C C 868 175.353 175.353 175.532 -0.179 19955 439 1 1 . 1 1 868 868 GLU CA C 868 55.753 55.753 55.891 -0.138 19955 440 1 1 . 1 1 868 868 GLU CB C 868 31.419 31.419 32.000 -0.581 19955 441 1 1 . 1 1 868 868 GLU H H 868 8.272 8.272 8.332 -0.060 19955 442 1 1 . 1 1 869 869 TYR N N 869 121.165 121.165 122.013 -0.848 19955 443 1 1 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.577 0.123 19955 444 1 1 . 1 1 869 869 TYR C C 869 176.824 176.824 176.930 -0.106 19955 445 1 1 . 1 1 869 869 TYR CA C 869 56.809 56.809 58.326 -1.517 19955 446 1 1 . 1 1 869 869 TYR CB C 869 38.650 38.650 39.170 -0.520 19955 447 1 1 . 1 1 869 869 TYR H H 869 8.003 8.003 8.614 -0.611 19955 448 1 1 . 1 1 870 870 GLY N N 870 104.958 104.958 110.502 -5.544 19955 449 1 1 . 1 1 870 870 GLY C C 870 173.846 173.846 173.096 0.750 19955 450 1 1 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.999 -0.780 19955 451 1 1 . 1 1 870 870 GLY H H 870 8.590 8.590 8.828 -0.238 19955 452 1 1 . 1 1 871 871 GLU N N 871 122.341 122.341 120.931 1.410 19955 453 1 1 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.398 -0.176 19955 454 1 1 . 1 1 871 871 GLU C C 871 173.827 173.827 174.888 -1.061 19955 455 1 1 . 1 1 871 871 GLU CA C 871 55.859 55.859 55.161 0.698 19955 456 1 1 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.190 0.744 19955 457 1 1 . 1 1 871 871 GLU H H 871 9.246 9.246 7.913 1.333 19955 458 1 1 . 1 1 872 872 ALA N N 872 126.709 126.709 124.030 2.679 19955 459 1 1 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.291 -0.187 19955 460 1 1 . 1 1 872 872 ALA C C 872 174.022 174.022 174.781 -0.759 19955 461 1 1 . 1 1 872 872 ALA CA C 872 50.135 50.135 51.164 -1.030 19955 462 1 1 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.855 1.643 19955 463 1 1 . 1 1 872 872 ALA H H 872 9.266 9.266 8.825 0.441 19955 464 1 1 . 1 1 873 873 ILE N N 873 118.554 118.554 119.885 -1.331 19955 465 1 1 . 1 1 873 873 ILE HA H 873 4.614 4.614 5.006 -0.392 19955 466 1 1 . 1 1 873 873 ILE C C 873 176.132 176.132 174.906 1.226 19955 467 1 1 . 1 1 873 873 ILE CA C 873 58.788 58.788 59.475 -0.687 19955 468 1 1 . 1 1 873 873 ILE CB C 873 40.630 40.630 43.029 -2.398 19955 469 1 1 . 1 1 873 873 ILE H H 873 8.522 8.522 8.857 -0.335 19955 470 1 1 . 1 1 874 874 ALA N N 874 129.739 129.739 130.547 -0.808 19955 471 1 1 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.212 -0.175 19955 472 1 1 . 1 1 874 874 ALA C C 874 178.259 178.259 176.410 1.849 19955 473 1 1 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.896 0.441 19955 474 1 1 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.312 1.966 19955 475 1 1 . 1 1 874 874 ALA H H 874 8.608 8.608 8.057 0.551 19955 476 1 1 . 1 1 875 875 LYS N N 875 127.308 127.308 122.327 4.981 19955 477 1 1 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.967 0.057 19955 478 1 1 . 1 1 875 875 LYS C C 875 174.098 174.098 175.808 -1.710 19955 479 1 1 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.155 -1.056 19955 480 1 1 . 1 1 875 875 LYS CB C 875 33.984 33.984 33.060 0.924 19955 481 1 1 . 1 1 875 875 LYS H H 875 9.298 9.298 8.376 0.922 19955 482 1 1 . 1 1 876 876 PHE N N 876 113.423 113.423 116.964 -3.541 19955 483 1 1 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.583 0.328 19955 484 1 1 . 1 1 876 876 PHE C C 876 174.050 174.050 174.651 -0.601 19955 485 1 1 . 1 1 876 876 PHE CA C 876 53.845 53.845 57.050 -3.205 19955 486 1 1 . 1 1 876 876 PHE CB C 876 43.742 43.742 42.555 1.187 19955 487 1 1 . 1 1 876 876 PHE H H 876 7.328 7.328 7.435 -0.107 19955 488 1 1 . 1 1 877 877 ASN N N 877 116.437 116.437 120.425 -3.988 19955 489 1 1 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.676 0.113 19955 490 1 1 . 1 1 877 877 ASN C C 877 174.454 174.454 174.421 0.033 19955 491 1 1 . 1 1 877 877 ASN CA C 877 53.535 53.535 54.758 -1.222 19955 492 1 1 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.987 -0.780 19955 493 1 1 . 1 1 877 877 ASN H H 877 8.666 8.666 8.636 0.030 19955 494 1 1 . 1 1 878 878 PHE N N 878 123.179 123.179 125.138 -1.959 19955 495 1 1 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.654 0.011 19955 496 1 1 . 1 1 878 878 PHE C C 878 173.027 173.027 173.164 -0.137 19955 497 1 1 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.847 -0.743 19955 498 1 1 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.081 0.005 19955 499 1 1 . 1 1 878 878 PHE H H 878 8.433 8.433 9.051 -0.618 19955 500 1 1 . 1 1 879 879 ASN N N 879 127.113 127.113 125.107 2.006 19955 501 1 1 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.861 -0.299 19955 502 1 1 . 1 1 879 879 ASN C C 879 173.174 173.174 174.650 -1.476 19955 503 1 1 . 1 1 879 879 ASN CA C 879 50.930 50.930 52.327 -1.397 19955 504 1 1 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.300 0.087 19955 505 1 1 . 1 1 879 879 ASN H H 879 8.000 8.000 8.001 -0.001 19955 506 1 1 . 1 1 880 880 GLY N N 880 110.949 110.949 109.162 1.787 19955 507 1 1 . 1 1 880 880 GLY C C 880 173.383 173.383 174.348 -0.965 19955 508 1 1 . 1 1 880 880 GLY CA C 880 45.658 45.658 45.545 0.113 19955 509 1 1 . 1 1 880 880 GLY H H 880 7.997 7.997 8.264 -0.267 19955 510 1 1 . 1 1 881 881 ASP N N 881 122.408 122.408 118.120 4.288 19955 511 1 1 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.774 -0.141 19955 512 1 1 . 1 1 881 881 ASP C C 881 176.286 176.286 175.308 0.978 19955 513 1 1 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.390 0.806 19955 514 1 1 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.310 1.830 19955 515 1 1 . 1 1 881 881 ASP H H 881 8.796 8.796 8.571 0.225 19955 516 1 1 . 1 1 882 882 THR N N 882 108.354 108.354 111.723 -3.369 19955 517 1 1 . 1 1 882 882 THR HA H 882 4.583 4.583 4.661 -0.078 19955 518 1 1 . 1 1 882 882 THR C C 882 175.948 175.948 174.262 1.686 19955 519 1 1 . 1 1 882 882 THR CA C 882 60.352 60.352 60.101 0.251 19955 520 1 1 . 1 1 882 882 THR CB C 882 71.649 71.649 71.406 0.242 19955 521 1 1 . 1 1 882 882 THR H H 882 7.541 7.541 7.396 0.145 19955 522 1 1 . 1 1 883 883 GLN N N 883 118.622 118.622 120.221 -1.599 19955 523 1 1 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.138 0.014 19955 524 1 1 . 1 1 883 883 GLN C C 883 176.478 176.478 177.044 -0.566 19955 525 1 1 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.438 -0.242 19955 526 1 1 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.660 0.009 19955 527 1 1 . 1 1 883 883 GLN H H 883 8.710 8.710 8.653 0.057 19955 528 1 1 . 1 1 884 884 VAL N N 884 111.473 111.473 109.571 1.902 19955 529 1 1 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.928 0.279 19955 530 1 1 . 1 1 884 884 VAL C C 884 176.430 176.430 175.968 0.462 19955 531 1 1 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.774 -1.481 19955 532 1 1 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.274 0.650 19955 533 1 1 . 1 1 884 884 VAL H H 884 7.260 7.260 7.806 -0.546 19955 534 1 1 . 1 1 885 885 GLU N N 885 121.794 121.794 119.462 2.332 19955 535 1 1 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.754 0.154 19955 536 1 1 . 1 1 885 885 GLU C C 885 175.369 175.369 175.758 -0.389 19955 537 1 1 . 1 1 885 885 GLU CA C 885 55.310 55.310 54.822 0.489 19955 538 1 1 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.561 1.228 19955 539 1 1 . 1 1 885 885 GLU H H 885 7.455 7.455 7.526 -0.071 19955 540 1 1 . 1 1 886 886 MET N N 886 125.473 125.473 122.005 3.468 19955 541 1 1 . 1 1 886 886 MET HA H 886 4.534 4.534 4.760 -0.226 19955 542 1 1 . 1 1 886 886 MET C C 886 172.841 172.841 176.129 -3.288 19955 543 1 1 . 1 1 886 886 MET CA C 886 54.129 54.129 53.952 0.177 19955 544 1 1 . 1 1 886 886 MET CB C 886 35.157 35.157 34.906 0.251 19955 545 1 1 . 1 1 886 886 MET H H 886 8.996 8.996 8.695 0.301 19955 546 1 1 . 1 1 887 887 SER N N 887 118.425 118.425 115.141 3.284 19955 547 1 1 . 1 1 887 887 SER HA H 887 4.402 4.402 4.727 -0.325 19955 548 1 1 . 1 1 887 887 SER C C 887 174.667 174.667 173.099 1.568 19955 549 1 1 . 1 1 887 887 SER CA C 887 58.612 58.612 57.392 1.220 19955 550 1 1 . 1 1 887 887 SER CB C 887 64.186 64.186 65.463 -1.278 19955 551 1 1 . 1 1 887 887 SER H H 887 7.888 7.888 8.428 -0.540 19955 552 1 1 . 1 1 888 888 PHE N N 888 116.363 116.363 116.431 -0.068 19955 553 1 1 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.982 -0.468 19955 554 1 1 . 1 1 888 888 PHE C C 888 174.756 174.756 173.413 1.343 19955 555 1 1 . 1 1 888 888 PHE CA C 888 56.536 56.536 57.152 -0.616 19955 556 1 1 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.709 -0.907 19955 557 1 1 . 1 1 888 888 PHE H H 888 8.780 8.780 8.220 0.560 19955 558 1 1 . 1 1 889 889 ARG N N 889 121.944 121.944 120.289 1.655 19955 559 1 1 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.521 0.451 19955 560 1 1 . 1 1 889 889 ARG C C 889 175.318 175.318 177.089 -1.771 19955 561 1 1 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.641 -1.343 19955 562 1 1 . 1 1 889 889 ARG CB C 889 32.886 32.886 32.309 0.577 19955 563 1 1 . 1 1 889 889 ARG H H 889 10.187 10.187 8.907 1.280 19955 564 1 1 . 1 1 890 890 LYS N N 890 119.991 119.991 122.321 -2.330 19955 565 1 1 . 1 1 890 890 LYS HA H 890 3.248 3.248 4.187 -0.939 19955 566 1 1 . 1 1 890 890 LYS C C 890 176.504 176.504 176.179 0.325 19955 567 1 1 . 1 1 890 890 LYS CA C 890 58.396 58.396 57.012 1.384 19955 568 1 1 . 1 1 890 890 LYS CB C 890 32.829 32.829 31.069 1.760 19955 569 1 1 . 1 1 890 890 LYS H H 890 8.360 8.360 8.765 -0.405 19955 570 1 1 . 1 1 891 891 GLY N N 891 113.950 113.950 108.744 5.206 19955 571 1 1 . 1 1 891 891 GLY C C 891 174.298 174.298 174.136 0.162 19955 572 1 1 . 1 1 891 891 GLY CA C 891 44.668 44.668 45.042 -0.374 19955 573 1 1 . 1 1 891 891 GLY H H 891 8.673 8.673 8.352 0.321 19955 574 1 1 . 1 1 892 892 GLU N N 892 119.511 119.511 121.093 -1.582 19955 575 1 1 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.611 -0.495 19955 576 1 1 . 1 1 892 892 GLU C C 892 174.618 174.618 175.913 -1.295 19955 577 1 1 . 1 1 892 892 GLU CA C 892 59.515 59.515 54.809 4.706 19955 578 1 1 . 1 1 892 892 GLU CB C 892 30.581 30.581 31.155 -0.574 19955 579 1 1 . 1 1 892 892 GLU H H 892 7.856 7.856 7.739 0.117 19955 580 1 1 . 1 1 893 893 ARG N N 893 122.979 122.979 121.008 1.971 19955 581 1 1 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.963 -0.366 19955 582 1 1 . 1 1 893 893 ARG C C 893 174.836 174.836 176.297 -1.461 19955 583 1 1 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.145 -0.617 19955 584 1 1 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.640 -0.600 19955 585 1 1 . 1 1 893 893 ARG H H 893 8.120 8.120 8.586 -0.466 19955 586 1 1 . 1 1 894 894 ILE N N 894 122.659 122.659 121.872 0.787 19955 587 1 1 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.319 -0.256 19955 588 1 1 . 1 1 894 894 ILE C C 894 175.789 175.789 174.477 1.312 19955 589 1 1 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.244 0.022 19955 590 1 1 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.320 1.107 19955 591 1 1 . 1 1 894 894 ILE H H 894 8.586 8.586 9.078 -0.492 19955 592 1 1 . 1 1 895 895 THR N N 895 124.709 124.709 121.835 2.874 19955 593 1 1 . 1 1 895 895 THR HA H 895 4.441 4.441 5.044 -0.603 19955 594 1 1 . 1 1 895 895 THR C C 895 174.124 174.124 174.617 -0.493 19955 595 1 1 . 1 1 895 895 THR CA C 895 62.837 62.837 60.924 1.913 19955 596 1 1 . 1 1 895 895 THR CB C 895 69.246 69.246 69.353 -0.107 19955 597 1 1 . 1 1 895 895 THR H H 895 9.078 9.078 8.811 0.267 19955 598 1 1 . 1 1 896 896 LEU N N 896 122.648 122.648 128.062 -5.414 19955 599 1 1 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.406 -0.017 19955 600 1 1 . 1 1 896 896 LEU C C 896 174.836 174.836 176.578 -1.742 19955 601 1 1 . 1 1 896 896 LEU H H 896 8.583 8.583 8.132 0.451 19955 602 1 1 . 1 1 897 897 LEU N N 897 124.502 124.502 125.121 -0.619 19955 603 1 1 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.685 -0.353 19955 604 1 1 . 1 1 897 897 LEU C C 897 176.645 176.645 177.159 -0.514 19955 605 1 1 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.560 0.666 19955 606 1 1 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.487 -1.156 19955 607 1 1 . 1 1 897 897 LEU H H 897 8.984 8.984 8.651 0.333 19955 608 1 1 . 1 1 898 898 ARG N N 898 108.422 108.422 115.746 -7.324 19955 609 1 1 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.647 -0.205 19955 610 1 1 . 1 1 898 898 ARG C C 898 173.645 173.645 173.819 -0.174 19955 611 1 1 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.041 0.200 19955 612 1 1 . 1 1 898 898 ARG CB C 898 31.609 31.609 31.984 -0.375 19955 613 1 1 . 1 1 898 898 ARG H H 898 7.413 7.413 7.657 -0.244 19955 614 1 1 . 1 1 899 899 GLN N N 899 124.503 124.503 120.410 4.093 19955 615 1 1 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.654 -0.462 19955 616 1 1 . 1 1 899 899 GLN C C 899 175.142 175.142 175.723 -0.581 19955 617 1 1 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.127 1.169 19955 618 1 1 . 1 1 899 899 GLN CB C 899 28.489 28.489 30.077 -1.588 19955 619 1 1 . 1 1 899 899 GLN H H 899 9.301 9.301 8.665 0.636 19955 620 1 1 . 1 1 900 900 VAL N N 900 129.109 129.109 127.205 1.904 19955 621 1 1 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.788 -0.122 19955 622 1 1 . 1 1 900 900 VAL C C 900 175.298 175.298 176.360 -1.062 19955 623 1 1 . 1 1 900 900 VAL CA C 900 64.773 64.773 65.244 -0.471 19955 624 1 1 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.343 0.478 19955 625 1 1 . 1 1 900 900 VAL H H 900 8.475 8.475 8.614 -0.139 19955 626 1 1 . 1 1 901 901 ASP N N 901 118.573 118.573 117.316 1.257 19955 627 1 1 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.783 -0.387 19955 628 1 1 . 1 1 901 901 ASP C C 901 175.386 175.386 176.007 -0.621 19955 629 1 1 . 1 1 901 901 ASP CA C 901 53.300 53.300 54.727 -1.427 19955 630 1 1 . 1 1 901 901 ASP CB C 901 40.163 40.163 41.814 -1.651 19955 631 1 1 . 1 1 901 901 ASP H H 901 8.038 8.038 7.710 0.328 19955 632 1 1 . 1 1 902 902 GLU N N 902 114.492 114.492 118.081 -3.589 19955 633 1 1 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.469 -0.637 19955 634 1 1 . 1 1 902 902 GLU C C 902 175.973 175.973 176.474 -0.501 19955 635 1 1 . 1 1 902 902 GLU CA C 902 59.095 59.095 57.076 2.019 19955 636 1 1 . 1 1 902 902 GLU CB C 902 29.507 29.507 32.250 -2.743 19955 637 1 1 . 1 1 902 902 GLU H H 902 8.784 8.784 8.497 0.287 19955 638 1 1 . 1 1 903 903 ASN N N 903 113.835 113.835 116.782 -2.947 19955 639 1 1 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.872 -0.008 19955 640 1 1 . 1 1 903 903 ASN C C 903 175.238 175.238 173.269 1.969 19955 641 1 1 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.906 0.894 19955 642 1 1 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.482 2.728 19955 643 1 1 . 1 1 903 903 ASN H H 903 8.763 8.763 8.417 0.346 19955 644 1 1 . 1 1 904 904 TRP N N 904 121.517 121.517 118.261 3.256 19955 645 1 1 . 1 1 904 904 TRP HA H 904 4.950 4.950 4.903 0.047 19955 646 1 1 . 1 1 904 904 TRP C C 904 175.223 175.223 175.125 0.098 19955 647 1 1 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.483 0.696 19955 648 1 1 . 1 1 904 904 TRP CB C 904 31.286 31.286 32.764 -1.478 19955 649 1 1 . 1 1 904 904 TRP H H 904 8.141 8.141 7.674 0.467 19955 650 1 1 . 1 1 905 905 TYR N N 905 121.365 121.365 116.700 4.665 19955 651 1 1 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.132 -0.216 19955 652 1 1 . 1 1 905 905 TYR C C 905 173.702 173.702 172.582 1.120 19955 653 1 1 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.415 0.045 19955 654 1 1 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.284 2.117 19955 655 1 1 . 1 1 905 905 TYR H H 905 8.550 8.550 8.417 0.133 19955 656 1 1 . 1 1 906 906 GLU N N 906 117.356 117.356 120.934 -3.578 19955 657 1 1 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.527 0.358 19955 658 1 1 . 1 1 906 906 GLU C C 906 176.159 176.159 175.039 1.120 19955 659 1 1 . 1 1 906 906 GLU CA C 906 54.795 54.795 53.852 0.943 19955 660 1 1 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.528 -0.938 19955 661 1 1 . 1 1 906 906 GLU H H 906 8.707 8.707 8.673 0.034 19955 662 1 1 . 1 1 907 907 GLY N N 907 114.506 114.506 111.085 3.421 19955 663 1 1 . 1 1 907 907 GLY C C 907 169.408 169.408 171.738 -2.330 19955 664 1 1 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.052 0.682 19955 665 1 1 . 1 1 907 907 GLY H H 907 9.334 9.334 8.277 1.057 19955 666 1 1 . 1 1 908 908 ARG N N 908 114.660 114.660 117.253 -2.593 19955 667 1 1 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.190 0.187 19955 668 1 1 . 1 1 908 908 ARG C C 908 173.981 173.981 174.851 -0.870 19955 669 1 1 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.321 -0.044 19955 670 1 1 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.022 0.567 19955 671 1 1 . 1 1 908 908 ARG H H 908 8.694 8.694 8.668 0.026 19955 672 1 1 . 1 1 909 909 ILE N N 909 124.579 124.579 122.387 2.192 19955 673 1 1 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.510 0.409 19955 674 1 1 . 1 1 909 909 ILE C C 909 175.024 175.024 174.873 0.151 19955 675 1 1 . 1 1 909 909 ILE CA C 909 56.699 56.699 59.201 -2.502 19955 676 1 1 . 1 1 909 909 ILE CB C 909 35.387 35.387 38.217 -2.830 19955 677 1 1 . 1 1 909 909 ILE H H 909 7.757 7.757 8.286 -0.529 19955 678 1 1 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.121 0.508 19955 679 1 1 . 1 1 910 910 PRO C C 910 176.353 176.353 177.723 -1.370 19955 680 1 1 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.350 -11.552 19955 681 1 1 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.948 -1.540 19955 682 1 1 . 1 1 911 911 GLY N N 911 118.118 118.118 111.272 6.846 19955 683 1 1 . 1 1 911 911 GLY C C 911 173.987 173.987 174.411 -0.424 19955 684 1 1 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.325 0.007 19955 685 1 1 . 1 1 911 911 GLY H H 911 7.869 7.869 8.564 -0.695 19955 686 1 1 . 1 1 912 912 THR N N 912 109.041 109.041 112.541 -3.500 19955 687 1 1 . 1 1 912 912 THR HA H 912 4.469 4.469 3.892 0.577 19955 688 1 1 . 1 1 912 912 THR C C 912 174.144 174.144 174.680 -0.536 19955 689 1 1 . 1 1 912 912 THR CA C 912 60.194 60.194 63.396 -3.202 19955 690 1 1 . 1 1 912 912 THR CB C 912 72.812 72.812 67.338 5.474 19955 691 1 1 . 1 1 912 912 THR H H 912 7.743 7.743 8.128 -0.385 19955 692 1 1 . 1 1 913 913 SER N N 913 126.292 126.292 115.792 10.500 19955 693 1 1 . 1 1 913 913 SER HA H 913 4.671 4.671 4.163 0.508 19955 694 1 1 . 1 1 913 913 SER C C 913 174.781 174.781 174.568 0.213 19955 695 1 1 . 1 1 913 913 SER CA C 913 57.411 57.411 60.893 -3.482 19955 696 1 1 . 1 1 913 913 SER CB C 913 63.258 63.258 63.939 -0.681 19955 697 1 1 . 1 1 913 913 SER H H 913 7.896 7.896 8.197 -0.301 19955 698 1 1 . 1 1 914 914 ARG N N 914 124.284 124.284 120.265 4.019 19955 699 1 1 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.649 -0.396 19955 700 1 1 . 1 1 914 914 ARG C C 914 174.712 174.712 173.885 0.827 19955 701 1 1 . 1 1 914 914 ARG CA C 914 56.960 56.960 55.665 1.295 19955 702 1 1 . 1 1 914 914 ARG CB C 914 30.694 30.694 34.037 -3.343 19955 703 1 1 . 1 1 914 914 ARG H H 914 8.631 8.631 7.902 0.729 19955 704 1 1 . 1 1 915 915 GLN N N 915 124.297 124.297 121.643 2.654 19955 705 1 1 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.118 0.263 19955 706 1 1 . 1 1 915 915 GLN C C 915 174.377 174.377 174.004 0.373 19955 707 1 1 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.706 0.860 19955 708 1 1 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.513 -1.507 19955 709 1 1 . 1 1 915 915 GLN H H 915 8.054 8.054 8.580 -0.526 19955 710 1 1 . 1 1 916 916 GLY N N 916 112.028 112.028 110.422 1.606 19955 711 1 1 . 1 1 916 916 GLY C C 916 172.185 172.185 171.510 0.675 19955 712 1 1 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.506 -0.259 19955 713 1 1 . 1 1 916 916 GLY H H 916 8.818 8.818 8.650 0.168 19955 714 1 1 . 1 1 917 917 ILE N N 917 113.634 113.634 115.169 -1.535 19955 715 1 1 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.385 1.643 19955 716 1 1 . 1 1 917 917 ILE C C 917 176.584 176.584 173.322 3.262 19955 717 1 1 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.203 1.776 19955 718 1 1 . 1 1 917 917 ILE CB C 917 41.225 41.225 41.036 0.189 19955 719 1 1 . 1 1 917 917 ILE H H 917 8.714 8.714 7.571 1.143 19955 720 1 1 . 1 1 918 918 PHE N N 918 115.806 115.806 116.376 -0.570 19955 721 1 1 . 1 1 918 918 PHE C C 918 170.959 170.959 172.706 -1.747 19955 722 1 1 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.365 0.254 19955 723 1 1 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.430 -0.808 19955 724 1 1 . 1 1 918 918 PHE H H 918 8.573 8.573 7.304 1.269 19955 725 1 1 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.463 -0.363 19955 726 1 1 . 1 1 919 919 PRO C C 919 178.655 178.655 177.917 0.738 19955 727 1 1 . 1 1 919 919 PRO CA C 919 60.998 60.998 62.111 -1.113 19955 728 1 1 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.912 -0.702 19955 729 1 1 . 1 1 920 920 ILE N N 920 123.677 123.677 123.771 -0.094 19955 730 1 1 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.795 -0.104 19955 731 1 1 . 1 1 920 920 ILE C C 920 176.798 176.798 177.902 -1.104 19955 732 1 1 . 1 1 920 920 ILE CA C 920 63.373 63.373 65.143 -1.770 19955 733 1 1 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.547 1.304 19955 734 1 1 . 1 1 920 920 ILE H H 920 7.949 7.949 8.104 -0.155 19955 735 1 1 . 1 1 921 921 THR N N 921 106.993 106.993 112.054 -5.061 19955 736 1 1 . 1 1 921 921 THR HA H 921 4.294 4.294 4.083 0.211 19955 737 1 1 . 1 1 921 921 THR C C 921 175.639 175.639 175.359 0.280 19955 738 1 1 . 1 1 921 921 THR CA C 921 62.983 62.983 65.294 -2.311 19955 739 1 1 . 1 1 921 921 THR CB C 921 69.104 69.104 68.583 0.521 19955 740 1 1 . 1 1 921 921 THR H H 921 7.500 7.500 8.478 -0.978 19955 741 1 1 . 1 1 922 922 TYR N N 922 118.600 118.600 120.453 -1.853 19955 742 1 1 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.961 -0.321 19955 743 1 1 . 1 1 922 922 TYR C C 922 175.481 175.481 174.724 0.757 19955 744 1 1 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.979 1.469 19955 745 1 1 . 1 1 922 922 TYR CB C 922 38.600 38.600 39.030 -0.430 19955 746 1 1 . 1 1 922 922 TYR H H 922 7.836 7.836 7.860 -0.024 19955 747 1 1 . 1 1 923 923 VAL N N 923 109.058 109.058 115.321 -6.263 19955 748 1 1 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.788 0.171 19955 749 1 1 . 1 1 923 923 VAL C C 923 172.905 172.905 173.973 -1.068 19955 750 1 1 . 1 1 923 923 VAL CA C 923 58.490 58.490 58.722 -0.232 19955 751 1 1 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.312 -0.025 19955 752 1 1 . 1 1 923 923 VAL H H 923 7.701 7.701 8.034 -0.333 19955 753 1 1 . 1 1 924 924 ASP N N 924 120.115 120.115 120.727 -0.612 19955 754 1 1 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.916 0.018 19955 755 1 1 . 1 1 924 924 ASP C C 924 175.863 175.863 175.264 0.599 19955 756 1 1 . 1 1 924 924 ASP CA C 924 52.934 52.934 52.457 0.477 19955 757 1 1 . 1 1 924 924 ASP CB C 924 42.263 42.263 44.044 -1.781 19955 758 1 1 . 1 1 924 924 ASP H H 924 8.658 8.658 8.577 0.081 19955 759 1 1 . 1 1 925 925 VAL N N 925 125.090 125.090 120.655 4.435 19955 760 1 1 . 1 1 925 925 VAL HA H 925 3.679 3.679 4.506 -0.827 19955 761 1 1 . 1 1 925 925 VAL C C 925 175.620 175.620 174.804 0.816 19955 762 1 1 . 1 1 925 925 VAL CA C 925 64.215 64.215 61.985 2.230 19955 763 1 1 . 1 1 925 925 VAL CB C 925 31.721 31.721 33.057 -1.336 19955 764 1 1 . 1 1 925 925 VAL H H 925 8.911 8.911 8.385 0.526 19955 765 1 1 . 1 1 926 926 ILE N N 926 129.390 129.390 124.224 5.166 19955 766 1 1 . 1 1 926 926 ILE HA H 926 4.037 4.037 4.276 -0.239 19955 767 1 1 . 1 1 926 926 ILE C C 926 175.683 175.683 175.990 -0.307 19955 768 1 1 . 1 1 926 926 ILE CA C 926 61.578 61.578 61.488 0.090 19955 769 1 1 . 1 1 926 926 ILE CB C 926 38.547 38.547 39.918 -1.371 19955 770 1 1 . 1 1 926 926 ILE H H 926 8.519 8.519 8.620 -0.101 19955 771 1 1 . 1 1 927 927 LYS N N 927 122.060 122.060 119.707 2.353 19955 772 1 1 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.523 0.089 19955 773 1 1 . 1 1 927 927 LYS C C 927 175.204 175.204 174.982 0.222 19955 774 1 1 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.427 0.170 19955 775 1 1 . 1 1 927 927 LYS CB C 927 35.633 35.633 34.627 1.006 19955 776 1 1 . 1 1 927 927 LYS H H 927 8.017 8.017 7.510 0.507 19955 777 1 1 . 1 1 928 928 ARG N N 928 126.441 126.441 125.371 1.070 19955 778 1 1 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.439 -0.012 19955 779 1 1 . 1 1 928 928 ARG C C 928 173.959 173.959 175.241 -1.282 19955 780 1 1 . 1 1 928 928 ARG CA C 928 55.488 55.488 54.984 0.504 19955 781 1 1 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.607 0.106 19955 782 1 1 . 1 1 928 928 ARG H H 928 8.729 8.729 8.579 0.150 19955 783 1 1 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.420 0.093 19955 784 1 1 . 1 1 929 929 PRO CA C 929 62.718 62.718 62.629 0.089 19955 785 1 1 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.153 -0.537 19955 786 1 2 . 1 1 790 790 MET HA H 790 4.396 4.396 4.784 -0.388 19955 787 1 2 . 1 1 790 790 MET CA C 790 55.378 55.378 55.277 0.101 19955 788 1 2 . 1 1 790 790 MET CB C 790 32.960 32.960 34.593 -1.633 19955 789 1 2 . 1 1 791 791 SER N N 791 118.373 118.373 115.811 2.562 19955 790 1 2 . 1 1 791 791 SER HA H 791 4.362 4.362 4.334 0.028 19955 791 1 2 . 1 1 791 791 SER C C 791 175.043 175.043 173.518 1.525 19955 792 1 2 . 1 1 791 791 SER CA C 791 58.532 58.532 58.012 0.520 19955 793 1 2 . 1 1 791 791 SER CB C 791 63.749 63.749 62.623 1.127 19955 794 1 2 . 1 1 791 791 SER H H 791 8.657 8.657 8.627 0.030 19955 795 1 2 . 1 1 792 792 GLY N N 792 111.254 111.254 108.410 2.844 19955 796 1 2 . 1 1 792 792 GLY C C 792 174.362 174.362 173.002 1.360 19955 797 1 2 . 1 1 792 792 GLY CA C 792 45.539 45.539 44.923 0.616 19955 798 1 2 . 1 1 792 792 GLY H H 792 8.560 8.560 7.833 0.727 19955 799 1 2 . 1 1 793 793 SER N N 793 115.369 115.369 115.562 -0.193 19955 800 1 2 . 1 1 793 793 SER HA H 793 4.409 4.409 4.772 -0.363 19955 801 1 2 . 1 1 793 793 SER C C 793 174.396 174.396 174.181 0.215 19955 802 1 2 . 1 1 793 793 SER CA C 793 58.485 58.485 57.985 0.500 19955 803 1 2 . 1 1 793 793 SER CB C 793 63.845 63.845 65.448 -1.603 19955 804 1 2 . 1 1 793 793 SER H H 793 8.102 8.102 8.415 -0.313 19955 805 1 2 . 1 1 794 794 GLU N N 794 122.660 122.660 122.524 0.136 19955 806 1 2 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.466 -0.256 19955 807 1 2 . 1 1 794 794 GLU C C 794 175.970 175.970 175.474 0.496 19955 808 1 2 . 1 1 794 794 GLU CA C 794 56.849 56.849 56.852 -0.003 19955 809 1 2 . 1 1 794 794 GLU CB C 794 30.261 30.261 30.108 0.153 19955 810 1 2 . 1 1 794 794 GLU H H 794 8.565 8.565 8.792 -0.227 19955 811 1 2 . 1 1 795 795 MET N N 795 119.544 119.544 114.232 5.312 19955 812 1 2 . 1 1 795 795 MET HA H 795 4.653 4.653 5.045 -0.392 19955 813 1 2 . 1 1 795 795 MET C C 795 175.590 175.590 174.790 0.800 19955 814 1 2 . 1 1 795 795 MET CA C 795 55.135 55.135 53.241 1.894 19955 815 1 2 . 1 1 795 795 MET CB C 795 32.378 32.378 35.305 -2.927 19955 816 1 2 . 1 1 795 795 MET H H 795 8.156 8.156 7.458 0.698 19955 817 1 2 . 1 1 796 796 ARG N N 796 122.177 122.177 121.112 1.065 19955 818 1 2 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.904 0.007 19955 819 1 2 . 1 1 796 796 ARG C C 796 173.378 173.378 173.881 -0.503 19955 820 1 2 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.294 -0.359 19955 821 1 2 . 1 1 796 796 ARG CB C 796 32.172 32.172 31.628 0.544 19955 822 1 2 . 1 1 796 796 ARG H H 796 8.358 8.358 8.535 -0.177 19955 823 1 2 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.298 0.398 19955 824 1 2 . 1 1 797 797 PRO C C 797 175.805 175.805 175.268 0.537 19955 825 1 2 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.927 -0.770 19955 826 1 2 . 1 1 797 797 PRO CB C 797 32.377 32.377 32.117 0.260 19955 827 1 2 . 1 1 798 798 ALA N N 798 123.383 123.383 124.498 -1.115 19955 828 1 2 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.885 -0.186 19955 829 1 2 . 1 1 798 798 ALA C C 798 173.534 173.534 175.046 -1.512 19955 830 1 2 . 1 1 798 798 ALA CA C 798 50.823 50.823 50.162 0.661 19955 831 1 2 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.459 0.264 19955 832 1 2 . 1 1 798 798 ALA H H 798 8.820 8.820 8.861 -0.041 19955 833 1 2 . 1 1 799 799 ARG N N 799 118.968 118.968 121.154 -2.186 19955 834 1 2 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.673 0.668 19955 835 1 2 . 1 1 799 799 ARG C C 799 176.215 176.215 174.826 1.389 19955 836 1 2 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.188 -1.065 19955 837 1 2 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.834 0.605 19955 838 1 2 . 1 1 799 799 ARG H H 799 8.803 8.803 8.068 0.735 19955 839 1 2 . 1 1 800 800 ALA N N 800 128.073 128.073 129.502 -1.429 19955 840 1 2 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.618 -0.081 19955 841 1 2 . 1 1 800 800 ALA C C 800 178.146 178.146 177.144 1.002 19955 842 1 2 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.564 0.644 19955 843 1 2 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.666 -1.012 19955 844 1 2 . 1 1 800 800 ALA H H 800 9.037 9.037 8.896 0.141 19955 845 1 2 . 1 1 801 801 LYS N N 801 127.334 127.334 124.159 3.175 19955 846 1 2 . 1 1 801 801 LYS HA H 801 3.758 3.758 4.270 -0.512 19955 847 1 2 . 1 1 801 801 LYS C C 801 174.213 174.213 175.820 -1.607 19955 848 1 2 . 1 1 801 801 LYS CA C 801 57.344 57.344 57.158 0.186 19955 849 1 2 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.716 -0.069 19955 850 1 2 . 1 1 801 801 LYS H H 801 9.291 9.291 8.751 0.540 19955 851 1 2 . 1 1 802 802 PHE N N 802 111.696 111.696 116.751 -5.055 19955 852 1 2 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.606 0.135 19955 853 1 2 . 1 1 802 802 PHE C C 802 173.408 173.408 173.899 -0.491 19955 854 1 2 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.774 -3.405 19955 855 1 2 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.969 0.273 19955 856 1 2 . 1 1 802 802 PHE H H 802 7.069 7.069 7.594 -0.525 19955 857 1 2 . 1 1 803 803 ASP N N 803 117.498 117.498 120.310 -2.812 19955 858 1 2 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.869 -0.345 19955 859 1 2 . 1 1 803 803 ASP C C 803 175.782 175.782 174.981 0.801 19955 860 1 2 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.352 1.374 19955 861 1 2 . 1 1 803 803 ASP CB C 803 41.154 41.154 40.944 0.210 19955 862 1 2 . 1 1 803 803 ASP H H 803 8.339 8.339 8.712 -0.373 19955 863 1 2 . 1 1 804 804 PHE N N 804 123.264 123.264 122.956 0.308 19955 864 1 2 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.712 0.280 19955 865 1 2 . 1 1 804 804 PHE C C 804 173.750 173.750 173.712 0.038 19955 866 1 2 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.374 -0.153 19955 867 1 2 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.801 -0.669 19955 868 1 2 . 1 1 804 804 PHE H H 804 9.223 9.223 8.772 0.451 19955 869 1 2 . 1 1 805 805 LYS N N 805 129.548 129.548 127.970 1.578 19955 870 1 2 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.178 -0.057 19955 871 1 2 . 1 1 805 805 LYS C C 805 174.042 174.042 174.295 -0.253 19955 872 1 2 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.561 -0.193 19955 873 1 2 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.575 -1.794 19955 874 1 2 . 1 1 805 805 LYS H H 805 8.125 8.125 8.225 -0.100 19955 875 1 2 . 1 1 806 806 ALA N N 806 127.231 127.231 126.690 0.541 19955 876 1 2 . 1 1 806 806 ALA HA H 806 3.882 3.882 3.806 0.076 19955 877 1 2 . 1 1 806 806 ALA C C 806 178.066 178.066 177.428 0.638 19955 878 1 2 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.296 -0.698 19955 879 1 2 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.122 1.383 19955 880 1 2 . 1 1 806 806 ALA H H 806 7.291 7.291 8.088 -0.797 19955 881 1 2 . 1 1 807 807 GLN N N 807 121.482 121.482 121.707 -0.225 19955 882 1 2 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.393 -0.067 19955 883 1 2 . 1 1 807 807 GLN C C 807 175.927 175.927 176.191 -0.264 19955 884 1 2 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.483 -0.277 19955 885 1 2 . 1 1 807 807 GLN CB C 807 30.942 30.942 30.182 0.760 19955 886 1 2 . 1 1 807 807 GLN H H 807 9.375 9.375 9.538 -0.163 19955 887 1 2 . 1 1 808 808 THR N N 808 108.842 108.842 114.828 -5.986 19955 888 1 2 . 1 1 808 808 THR HA H 808 4.661 4.661 4.582 0.079 19955 889 1 2 . 1 1 808 808 THR C C 808 175.262 175.262 173.681 1.581 19955 890 1 2 . 1 1 808 808 THR CA C 808 59.313 59.313 60.658 -1.345 19955 891 1 2 . 1 1 808 808 THR CB C 808 71.810 71.810 70.916 0.894 19955 892 1 2 . 1 1 808 808 THR H H 808 7.472 7.472 7.632 -0.160 19955 893 1 2 . 1 1 809 809 LEU N N 809 119.518 119.518 123.054 -3.536 19955 894 1 2 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.096 0.104 19955 895 1 2 . 1 1 809 809 LEU C C 809 177.895 177.895 177.828 0.067 19955 896 1 2 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.759 -0.672 19955 897 1 2 . 1 1 809 809 LEU CB C 809 41.901 41.901 42.123 -0.222 19955 898 1 2 . 1 1 809 809 LEU H H 809 8.387 8.387 8.464 -0.077 19955 899 1 2 . 1 1 810 810 LYS N N 810 115.587 115.587 116.862 -1.275 19955 900 1 2 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.021 0.209 19955 901 1 2 . 1 1 810 810 LYS C C 810 177.172 177.172 176.920 0.252 19955 902 1 2 . 1 1 810 810 LYS CA C 810 56.807 56.807 58.417 -1.610 19955 903 1 2 . 1 1 810 810 LYS CB C 810 33.059 33.059 31.961 1.098 19955 904 1 2 . 1 1 810 810 LYS H H 810 7.707 7.707 8.219 -0.512 19955 905 1 2 . 1 1 811 811 GLU N N 811 119.522 119.522 116.676 2.846 19955 906 1 2 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.194 0.505 19955 907 1 2 . 1 1 811 811 GLU C C 811 174.240 174.240 176.037 -1.797 19955 908 1 2 . 1 1 811 811 GLU CA C 811 55.419 55.419 56.928 -1.509 19955 909 1 2 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.283 2.071 19955 910 1 2 . 1 1 811 811 GLU H H 811 7.244 7.244 7.643 -0.399 19955 911 1 2 . 1 1 812 812 LEU N N 812 126.910 126.910 119.316 7.594 19955 912 1 2 . 1 1 812 812 LEU C C 812 172.269 172.269 174.353 -2.084 19955 913 1 2 . 1 1 812 812 LEU CA C 812 50.511 50.511 50.974 -0.463 19955 914 1 2 . 1 1 812 812 LEU CB C 812 45.092 45.092 42.679 2.413 19955 915 1 2 . 1 1 812 812 LEU H H 812 9.168 9.168 7.878 1.290 19955 916 1 2 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.608 -0.171 19955 917 1 2 . 1 1 813 813 PRO C C 813 176.755 176.755 175.374 1.381 19955 918 1 2 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.267 0.279 19955 919 1 2 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.828 -0.853 19955 920 1 2 . 1 1 814 814 LEU N N 814 118.726 118.726 122.865 -4.139 19955 921 1 2 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.527 0.119 19955 922 1 2 . 1 1 814 814 LEU C C 814 176.452 176.452 175.749 0.703 19955 923 1 2 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.814 -0.423 19955 924 1 2 . 1 1 814 814 LEU CB C 814 46.896 46.896 45.986 0.910 19955 925 1 2 . 1 1 814 814 LEU H H 814 8.532 8.532 8.919 -0.387 19955 926 1 2 . 1 1 815 815 GLN N N 815 123.473 123.473 120.427 3.046 19955 927 1 2 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.599 0.152 19955 928 1 2 . 1 1 815 815 GLN C C 815 174.820 174.820 174.532 0.288 19955 929 1 2 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.545 -0.209 19955 930 1 2 . 1 1 815 815 GLN CB C 815 31.094 31.094 31.284 -0.190 19955 931 1 2 . 1 1 815 815 GLN H H 815 8.938 8.938 8.545 0.393 19955 932 1 2 . 1 1 816 816 LYS N N 816 122.982 122.982 125.039 -2.057 19955 933 1 2 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.763 -0.648 19955 934 1 2 . 1 1 816 816 LYS C C 816 177.030 177.030 176.712 0.318 19955 935 1 2 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.206 0.470 19955 936 1 2 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.226 1.016 19955 937 1 2 . 1 1 816 816 LYS H H 816 8.888 8.888 9.064 -0.176 19955 938 1 2 . 1 1 817 817 GLY N N 817 115.370 115.370 114.526 0.844 19955 939 1 2 . 1 1 817 817 GLY C C 817 174.271 174.271 174.879 -0.608 19955 940 1 2 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.600 0.061 19955 941 1 2 . 1 1 817 817 GLY H H 817 8.870 8.870 8.875 -0.005 19955 942 1 2 . 1 1 818 818 ASP N N 818 123.102 123.102 122.484 0.618 19955 943 1 2 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.597 -0.268 19955 944 1 2 . 1 1 818 818 ASP C C 818 175.076 175.076 176.012 -0.936 19955 945 1 2 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.523 1.072 19955 946 1 2 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.870 -0.332 19955 947 1 2 . 1 1 818 818 ASP H H 818 8.468 8.468 8.303 0.165 19955 948 1 2 . 1 1 819 819 ILE N N 819 121.053 121.053 124.855 -3.802 19955 949 1 2 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.483 0.337 19955 950 1 2 . 1 1 819 819 ILE C C 819 175.630 175.630 175.845 -0.215 19955 951 1 2 . 1 1 819 819 ILE CA C 819 58.602 58.602 59.569 -0.967 19955 952 1 2 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.289 -0.748 19955 953 1 2 . 1 1 819 819 ILE H H 819 8.286 8.286 8.179 0.107 19955 954 1 2 . 1 1 820 820 VAL N N 820 124.554 124.554 119.864 4.690 19955 955 1 2 . 1 1 820 820 VAL HA H 820 4.679 4.679 5.079 -0.400 19955 956 1 2 . 1 1 820 820 VAL C C 820 172.751 172.751 173.990 -1.239 19955 957 1 2 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.964 -1.103 19955 958 1 2 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.367 -0.995 19955 959 1 2 . 1 1 820 820 VAL H H 820 8.717 8.717 8.669 0.048 19955 960 1 2 . 1 1 821 821 TYR N N 821 120.296 120.296 121.314 -1.018 19955 961 1 2 . 1 1 821 821 TYR HA H 821 4.803 4.803 4.674 0.129 19955 962 1 2 . 1 1 821 821 TYR C C 821 175.760 175.760 175.100 0.660 19955 963 1 2 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.644 0.195 19955 964 1 2 . 1 1 821 821 TYR CB C 821 40.132 40.132 40.081 0.051 19955 965 1 2 . 1 1 821 821 TYR H H 821 8.360 8.360 8.242 0.118 19955 966 1 2 . 1 1 822 822 ILE N N 822 123.440 123.440 123.203 0.237 19955 967 1 2 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.380 -0.515 19955 968 1 2 . 1 1 822 822 ILE C C 822 176.541 176.541 175.691 0.850 19955 969 1 2 . 1 1 822 822 ILE CA C 822 62.327 62.327 61.242 1.085 19955 970 1 2 . 1 1 822 822 ILE CB C 822 39.429 39.429 38.656 0.773 19955 971 1 2 . 1 1 822 822 ILE H H 822 8.991 8.991 8.021 0.970 19955 972 1 2 . 1 1 823 823 TYR N N 823 127.197 127.197 126.541 0.656 19955 973 1 2 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.772 0.296 19955 974 1 2 . 1 1 823 823 TYR C C 823 176.327 176.327 176.051 0.276 19955 975 1 2 . 1 1 823 823 TYR CA C 823 56.331 56.331 57.872 -1.541 19955 976 1 2 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.100 -1.815 19955 977 1 2 . 1 1 823 823 TYR H H 823 9.699 9.699 8.332 1.367 19955 978 1 2 . 1 1 824 824 LYS N N 824 113.691 113.691 119.456 -5.765 19955 979 1 2 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.510 0.154 19955 980 1 2 . 1 1 824 824 LYS C C 824 174.044 174.044 173.740 0.304 19955 981 1 2 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.923 -0.623 19955 982 1 2 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.950 0.154 19955 983 1 2 . 1 1 824 824 LYS H H 824 7.904 7.904 7.562 0.342 19955 984 1 2 . 1 1 825 825 GLN N N 825 122.998 122.998 124.075 -1.077 19955 985 1 2 . 1 1 825 825 GLN HA H 825 4.614 4.614 3.979 0.635 19955 986 1 2 . 1 1 825 825 GLN C C 825 175.372 175.372 175.076 0.296 19955 987 1 2 . 1 1 825 825 GLN CA C 825 55.970 55.970 55.664 0.306 19955 988 1 2 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.260 -0.246 19955 989 1 2 . 1 1 825 825 GLN H H 825 9.091 9.091 8.607 0.484 19955 990 1 2 . 1 1 826 826 ILE N N 826 126.911 126.911 126.867 0.044 19955 991 1 2 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.216 -0.266 19955 992 1 2 . 1 1 826 826 ILE C C 826 175.447 175.447 176.343 -0.896 19955 993 1 2 . 1 1 826 826 ILE CA C 826 62.062 62.062 62.299 -0.237 19955 994 1 2 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.787 -0.608 19955 995 1 2 . 1 1 826 826 ILE H H 826 8.356 8.356 8.212 0.144 19955 996 1 2 . 1 1 827 827 ASP N N 827 118.575 118.575 116.966 1.609 19955 997 1 2 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.758 -0.339 19955 998 1 2 . 1 1 827 827 ASP C C 827 175.673 175.673 175.389 0.284 19955 999 1 2 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.666 0.589 19955 1000 1 2 . 1 1 827 827 ASP CB C 827 40.120 40.120 42.829 -2.709 19955 1001 1 2 . 1 1 827 827 ASP H H 827 7.952 7.952 7.801 0.151 19955 1002 1 2 . 1 1 828 828 GLN N N 828 113.633 113.633 117.335 -3.702 19955 1003 1 2 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.055 -0.183 19955 1004 1 2 . 1 1 828 828 GLN C C 828 175.745 175.745 176.695 -0.950 19955 1005 1 2 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.977 -0.716 19955 1006 1 2 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.772 -0.274 19955 1007 1 2 . 1 1 828 828 GLN H H 828 8.468 8.468 8.343 0.125 19955 1008 1 2 . 1 1 829 829 ASN N N 829 114.412 114.412 115.279 -0.867 19955 1009 1 2 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.788 -0.046 19955 1010 1 2 . 1 1 829 829 ASN C C 829 175.652 175.652 173.986 1.666 19955 1011 1 2 . 1 1 829 829 ASN CA C 829 53.641 53.641 53.046 0.595 19955 1012 1 2 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.515 2.300 19955 1013 1 2 . 1 1 829 829 ASN H H 829 8.799 8.799 8.007 0.792 19955 1014 1 2 . 1 1 830 830 TRP N N 830 121.661 121.661 119.070 2.591 19955 1015 1 2 . 1 1 830 830 TRP HA H 830 4.810 4.810 5.012 -0.202 19955 1016 1 2 . 1 1 830 830 TRP C C 830 175.077 175.077 175.339 -0.262 19955 1017 1 2 . 1 1 830 830 TRP CA C 830 57.290 57.290 54.898 2.393 19955 1018 1 2 . 1 1 830 830 TRP CB C 830 32.570 32.570 31.220 1.350 19955 1019 1 2 . 1 1 830 830 TRP H H 830 8.033 8.033 7.432 0.601 19955 1020 1 2 . 1 1 831 831 TYR N N 831 120.163 120.163 120.055 0.108 19955 1021 1 2 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.593 0.452 19955 1022 1 2 . 1 1 831 831 TYR C C 831 173.672 173.672 173.282 0.390 19955 1023 1 2 . 1 1 831 831 TYR CA C 831 56.372 56.372 57.165 -0.793 19955 1024 1 2 . 1 1 831 831 TYR CB C 831 42.726 42.726 42.844 -0.118 19955 1025 1 2 . 1 1 831 831 TYR H H 831 8.721 8.721 9.021 -0.300 19955 1026 1 2 . 1 1 832 832 GLU N N 832 117.935 117.935 120.528 -2.593 19955 1027 1 2 . 1 1 832 832 GLU HA H 832 4.937 4.937 4.822 0.115 19955 1028 1 2 . 1 1 832 832 GLU C C 832 176.121 176.121 175.282 0.839 19955 1029 1 2 . 1 1 832 832 GLU CA C 832 54.404 54.404 53.661 0.743 19955 1030 1 2 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.580 0.375 19955 1031 1 2 . 1 1 832 832 GLU H H 832 8.696 8.696 8.091 0.605 19955 1032 1 2 . 1 1 833 833 GLY N N 833 115.171 115.171 111.349 3.822 19955 1033 1 2 . 1 1 833 833 GLY C C 833 168.962 168.962 172.272 -3.310 19955 1034 1 2 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.852 0.771 19955 1035 1 2 . 1 1 833 833 GLY H H 833 9.063 9.063 8.107 0.957 19955 1036 1 2 . 1 1 834 834 GLU N N 834 117.849 117.849 121.281 -3.432 19955 1037 1 2 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.714 -0.025 19955 1038 1 2 . 1 1 834 834 GLU C C 834 175.077 175.077 175.102 -0.025 19955 1039 1 2 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.093 -0.127 19955 1040 1 2 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.739 1.305 19955 1041 1 2 . 1 1 834 834 GLU H H 834 8.708 8.708 8.760 -0.052 19955 1042 1 2 . 1 1 835 835 HIS N N 835 120.973 120.973 124.159 -3.186 19955 1043 1 2 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.114 -0.280 19955 1044 1 2 . 1 1 835 835 HIS C C 835 174.509 174.509 174.712 -0.203 19955 1045 1 2 . 1 1 835 835 HIS CA C 835 56.249 56.249 55.813 0.436 19955 1046 1 2 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.413 0.798 19955 1047 1 2 . 1 1 835 835 HIS H H 835 8.799 8.799 9.243 -0.444 19955 1048 1 2 . 1 1 836 836 HIS N N 836 125.728 125.728 125.372 0.356 19955 1049 1 2 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.119 0.047 19955 1050 1 2 . 1 1 836 836 HIS C C 836 175.012 175.012 174.933 0.079 19955 1051 1 2 . 1 1 836 836 HIS CA C 836 55.689 55.689 57.320 -1.631 19955 1052 1 2 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.388 -0.394 19955 1053 1 2 . 1 1 836 836 HIS H H 836 9.163 9.163 9.308 -0.145 19955 1054 1 2 . 1 1 837 837 GLY N N 837 104.909 104.909 106.187 -1.278 19955 1055 1 2 . 1 1 837 837 GLY C C 837 173.235 173.235 173.235 0.000 19955 1056 1 2 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.293 0.361 19955 1057 1 2 . 1 1 837 837 GLY H H 837 9.070 9.070 9.256 -0.186 19955 1058 1 2 . 1 1 838 838 ARG N N 838 122.925 122.925 120.351 2.574 19955 1059 1 2 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.805 -0.212 19955 1060 1 2 . 1 1 838 838 ARG C C 838 173.682 173.682 174.484 -0.802 19955 1061 1 2 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.354 0.527 19955 1062 1 2 . 1 1 838 838 ARG CB C 838 32.058 32.058 32.929 -0.871 19955 1063 1 2 . 1 1 838 838 ARG H H 838 7.814 7.814 8.041 -0.227 19955 1064 1 2 . 1 1 839 839 VAL N N 839 123.572 123.572 126.040 -2.468 19955 1065 1 2 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.260 -0.126 19955 1066 1 2 . 1 1 839 839 VAL C C 839 177.296 177.296 175.512 1.784 19955 1067 1 2 . 1 1 839 839 VAL CA C 839 60.200 60.200 60.580 -0.380 19955 1068 1 2 . 1 1 839 839 VAL CB C 839 33.994 33.994 34.076 -0.082 19955 1069 1 2 . 1 1 839 839 VAL H H 839 8.360 8.360 8.707 -0.347 19955 1070 1 2 . 1 1 840 840 GLY N N 840 114.006 114.006 114.257 -0.251 19955 1071 1 2 . 1 1 840 840 GLY C C 840 171.246 171.246 171.849 -0.603 19955 1072 1 2 . 1 1 840 840 GLY CA C 840 45.896 45.896 45.245 0.651 19955 1073 1 2 . 1 1 840 840 GLY H H 840 8.951 8.951 8.308 0.643 19955 1074 1 2 . 1 1 841 841 ILE N N 841 112.496 112.496 116.032 -3.536 19955 1075 1 2 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.929 0.952 19955 1076 1 2 . 1 1 841 841 ILE C C 841 176.120 176.120 173.646 2.474 19955 1077 1 2 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.354 1.013 19955 1078 1 2 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.824 -0.907 19955 1079 1 2 . 1 1 841 841 ILE H H 841 8.434 8.434 7.679 0.755 19955 1080 1 2 . 1 1 842 842 PHE N N 842 116.289 116.289 115.545 0.744 19955 1081 1 2 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.906 0.065 19955 1082 1 2 . 1 1 842 842 PHE C C 842 171.777 171.777 172.548 -0.771 19955 1083 1 2 . 1 1 842 842 PHE CA C 842 54.265 54.265 55.200 -0.935 19955 1084 1 2 . 1 1 842 842 PHE CB C 842 37.515 37.515 39.496 -1.981 19955 1085 1 2 . 1 1 842 842 PHE H H 842 8.408 8.408 8.060 0.348 19955 1086 1 2 . 1 1 843 843 PRO HA H 843 3.934 3.934 5.137 -1.203 19955 1087 1 2 . 1 1 843 843 PRO C C 843 178.228 178.228 178.191 0.037 19955 1088 1 2 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.523 -0.910 19955 1089 1 2 . 1 1 843 843 PRO CB C 843 31.395 31.395 32.307 -0.912 19955 1090 1 2 . 1 1 844 844 ARG N N 844 122.291 122.291 126.002 -3.711 19955 1091 1 2 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.057 -0.113 19955 1092 1 2 . 1 1 844 844 ARG C C 844 178.171 178.171 177.801 0.370 19955 1093 1 2 . 1 1 844 844 ARG CA C 844 58.618 58.618 58.951 -0.333 19955 1094 1 2 . 1 1 844 844 ARG CB C 844 30.297 30.297 29.971 0.326 19955 1095 1 2 . 1 1 844 844 ARG H H 844 7.906 7.906 8.523 -0.617 19955 1096 1 2 . 1 1 845 845 THR N N 845 105.068 105.068 110.151 -5.083 19955 1097 1 2 . 1 1 845 845 THR HA H 845 4.159 4.159 4.221 -0.062 19955 1098 1 2 . 1 1 845 845 THR C C 845 175.363 175.363 175.224 0.139 19955 1099 1 2 . 1 1 845 845 THR CA C 845 63.035 63.035 64.333 -1.298 19955 1100 1 2 . 1 1 845 845 THR CB C 845 69.022 69.022 68.852 0.170 19955 1101 1 2 . 1 1 845 845 THR H H 845 7.907 7.907 8.251 -0.344 19955 1102 1 2 . 1 1 846 846 TYR N N 846 118.977 118.977 119.672 -0.695 19955 1103 1 2 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.707 -0.172 19955 1104 1 2 . 1 1 846 846 TYR C C 846 174.917 174.917 174.433 0.484 19955 1105 1 2 . 1 1 846 846 TYR CA C 846 58.751 58.751 59.447 -0.696 19955 1106 1 2 . 1 1 846 846 TYR CB C 846 38.055 38.055 40.413 -2.358 19955 1107 1 2 . 1 1 846 846 TYR H H 846 7.611 7.611 8.425 -0.814 19955 1108 1 2 . 1 1 847 847 ILE N N 847 113.230 113.230 112.055 1.175 19955 1109 1 2 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.142 -0.043 19955 1110 1 2 . 1 1 847 847 ILE C C 847 174.141 174.141 173.981 0.160 19955 1111 1 2 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.327 -0.873 19955 1112 1 2 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.256 -0.065 19955 1113 1 2 . 1 1 847 847 ILE H H 847 7.390 7.390 7.114 0.276 19955 1114 1 2 . 1 1 848 848 GLU N N 848 121.909 121.909 118.976 2.933 19955 1115 1 2 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.502 0.046 19955 1116 1 2 . 1 1 848 848 GLU C C 848 175.193 175.193 175.072 0.121 19955 1117 1 2 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.285 -0.620 19955 1118 1 2 . 1 1 848 848 GLU CB C 848 32.624 32.624 33.742 -1.118 19955 1119 1 2 . 1 1 848 848 GLU H H 848 8.786 8.786 8.581 0.205 19955 1120 1 2 . 1 1 849 849 LEU N N 849 126.431 126.431 124.693 1.738 19955 1121 1 2 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.374 -0.283 19955 1122 1 2 . 1 1 849 849 LEU C C 849 177.019 177.019 175.767 1.252 19955 1123 1 2 . 1 1 849 849 LEU CA C 849 55.667 55.667 53.937 1.730 19955 1124 1 2 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.728 -1.186 19955 1125 1 2 . 1 1 849 849 LEU H H 849 8.730 8.730 8.455 0.275 19955 1126 1 2 . 1 1 850 850 LEU N N 850 123.942 123.942 125.535 -1.593 19955 1127 1 2 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.103 0.459 19955 1128 1 2 . 1 1 850 850 LEU C C 850 174.453 174.453 174.125 0.328 19955 1129 1 2 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.690 -1.885 19955 1130 1 2 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.144 -0.181 19955 1131 1 2 . 1 1 850 850 LEU H H 850 7.846 7.846 8.561 -0.715 19955 1132 1 2 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.342 -0.013 19955 1133 1 2 . 1 1 852 852 PRO C C 852 176.580 176.580 175.978 0.602 19955 1134 1 2 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.585 -0.682 19955 1135 1 2 . 1 1 852 852 PRO CB C 852 31.765 31.765 31.964 -0.199 19955 1136 1 2 . 1 1 853 853 ALA N N 853 124.102 124.102 125.998 -1.896 19955 1137 1 2 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.568 -0.328 19955 1138 1 2 . 1 1 853 853 ALA C C 853 177.767 177.767 177.262 0.505 19955 1139 1 2 . 1 1 853 853 ALA CA C 853 52.258 52.258 51.512 0.746 19955 1140 1 2 . 1 1 853 853 ALA CB C 853 19.516 19.516 20.203 -0.686 19955 1141 1 2 . 1 1 853 853 ALA H H 853 8.354 8.354 8.178 0.176 19955 1142 1 2 . 1 1 854 854 GLU N N 854 120.540 120.540 122.364 -1.824 19955 1143 1 2 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.091 0.112 19955 1144 1 2 . 1 1 854 854 GLU C C 854 176.402 176.402 176.308 0.094 19955 1145 1 2 . 1 1 854 854 GLU CA C 854 56.380 56.380 57.408 -1.028 19955 1146 1 2 . 1 1 854 854 GLU CB C 854 30.432 30.432 29.975 0.457 19955 1147 1 2 . 1 1 854 854 GLU H H 854 8.348 8.348 8.815 -0.467 19955 1148 1 2 . 1 1 855 855 LYS N N 855 122.717 122.717 119.867 2.850 19955 1149 1 2 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.308 -0.093 19955 1150 1 2 . 1 1 855 855 LYS C C 855 176.078 176.078 175.341 0.737 19955 1151 1 2 . 1 1 855 855 LYS CA C 855 56.018 56.018 56.852 -0.834 19955 1152 1 2 . 1 1 855 855 LYS CB C 855 33.187 33.187 32.959 0.229 19955 1153 1 2 . 1 1 855 855 LYS H H 855 8.305 8.305 7.768 0.537 19955 1154 1 2 . 1 1 856 856 ALA N N 856 125.584 125.584 124.000 1.584 19955 1155 1 2 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.269 -0.028 19955 1156 1 2 . 1 1 856 856 ALA C C 856 177.276 177.276 176.506 0.770 19955 1157 1 2 . 1 1 856 856 ALA CA C 856 52.046 52.046 51.745 0.301 19955 1158 1 2 . 1 1 856 856 ALA CB C 856 19.294 19.294 19.152 0.142 19955 1159 1 2 . 1 1 856 856 ALA H H 856 8.219 8.219 8.208 0.011 19955 1160 1 2 . 1 1 857 857 GLN N N 857 121.223 121.223 120.615 0.608 19955 1161 1 2 . 1 1 857 857 GLN C C 857 173.964 173.964 175.423 -1.459 19955 1162 1 2 . 1 1 857 857 GLN CA C 857 53.490 53.490 54.191 -0.701 19955 1163 1 2 . 1 1 857 857 GLN CB C 857 29.040 29.040 28.798 0.242 19955 1164 1 2 . 1 1 857 857 GLN H H 857 8.333 8.333 7.947 0.386 19955 1165 1 2 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.369 -0.031 19955 1166 1 2 . 1 1 858 858 PRO C C 858 176.696 176.696 176.703 -0.007 19955 1167 1 2 . 1 1 858 858 PRO CA C 858 62.910 62.910 63.672 -0.762 19955 1168 1 2 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.101 -0.026 19955 1169 1 2 . 1 1 859 859 LYS N N 859 121.891 121.891 120.603 1.288 19955 1170 1 2 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.323 -0.133 19955 1171 1 2 . 1 1 859 859 LYS C C 859 176.382 176.382 175.798 0.584 19955 1172 1 2 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.697 -0.567 19955 1173 1 2 . 1 1 859 859 LYS CB C 859 33.070 33.070 33.343 -0.273 19955 1174 1 2 . 1 1 859 859 LYS H H 859 8.355 8.355 7.898 0.457 19955 1175 1 2 . 1 1 860 860 LYS N N 860 123.002 123.002 121.307 1.695 19955 1176 1 2 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.554 -0.309 19955 1177 1 2 . 1 1 860 860 LYS C C 860 176.131 176.131 176.692 -0.561 19955 1178 1 2 . 1 1 860 860 LYS CA C 860 55.852 55.852 55.263 0.589 19955 1179 1 2 . 1 1 860 860 LYS CB C 860 33.148 33.148 34.657 -1.509 19955 1180 1 2 . 1 1 860 860 LYS H H 860 8.267 8.267 8.332 -0.065 19955 1181 1 2 . 1 1 861 861 LEU N N 861 124.576 124.576 121.414 3.162 19955 1182 1 2 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.615 -0.259 19955 1183 1 2 . 1 1 861 861 LEU C C 861 177.069 177.069 177.183 -0.114 19955 1184 1 2 . 1 1 861 861 LEU CA C 861 54.795 54.795 55.312 -0.517 19955 1185 1 2 . 1 1 861 861 LEU CB C 861 42.350 42.350 40.673 1.677 19955 1186 1 2 . 1 1 861 861 LEU H H 861 8.316 8.316 8.563 -0.247 19955 1187 1 2 . 1 1 862 862 THR N N 862 117.878 117.878 118.796 -0.918 19955 1188 1 2 . 1 1 862 862 THR HA H 862 4.729 4.729 4.679 0.050 19955 1189 1 2 . 1 1 862 862 THR C C 862 172.639 172.639 172.354 0.285 19955 1190 1 2 . 1 1 862 862 THR CA C 862 59.644 59.644 59.636 0.008 19955 1191 1 2 . 1 1 862 862 THR CB C 862 69.476 69.476 70.363 -0.887 19955 1192 1 2 . 1 1 862 862 THR H H 862 8.162 8.162 7.963 0.199 19955 1193 1 2 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.652 -0.284 19955 1194 1 2 . 1 1 863 863 PRO C C 863 176.753 176.753 176.219 0.534 19955 1195 1 2 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.839 0.353 19955 1196 1 2 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.191 -0.134 19955 1197 1 2 . 1 1 864 864 VAL N N 864 120.359 120.359 117.243 3.116 19955 1198 1 2 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.514 -0.529 19955 1199 1 2 . 1 1 864 864 VAL C C 864 175.964 175.964 175.585 0.379 19955 1200 1 2 . 1 1 864 864 VAL CA C 864 62.342 62.342 61.291 1.052 19955 1201 1 2 . 1 1 864 864 VAL CB C 864 32.521 32.521 33.249 -0.728 19955 1202 1 2 . 1 1 864 864 VAL H H 864 8.102 8.102 8.143 -0.041 19955 1203 1 2 . 1 1 865 865 GLN N N 865 124.642 124.642 122.884 1.758 19955 1204 1 2 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.323 -0.037 19955 1205 1 2 . 1 1 865 865 GLN C C 865 175.443 175.443 175.468 -0.025 19955 1206 1 2 . 1 1 865 865 GLN CA C 865 55.595 55.595 55.997 -0.402 19955 1207 1 2 . 1 1 865 865 GLN CB C 865 29.739 29.739 28.840 0.898 19955 1208 1 2 . 1 1 865 865 GLN H H 865 8.333 8.333 8.667 -0.334 19955 1209 1 2 . 1 1 866 866 VAL N N 866 123.436 123.436 118.563 4.873 19955 1210 1 2 . 1 1 866 866 VAL HA H 866 3.969 3.969 3.757 0.212 19955 1211 1 2 . 1 1 866 866 VAL C C 866 175.685 175.685 175.974 -0.289 19955 1212 1 2 . 1 1 866 866 VAL CA C 866 62.398 62.398 62.983 -0.585 19955 1213 1 2 . 1 1 866 866 VAL CB C 866 32.832 32.832 31.022 1.810 19955 1214 1 2 . 1 1 866 866 VAL H H 866 8.189 8.189 7.985 0.204 19955 1215 1 2 . 1 1 867 867 LEU N N 867 127.515 127.515 120.081 7.434 19955 1216 1 2 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.177 0.085 19955 1217 1 2 . 1 1 867 867 LEU C C 867 177.037 177.037 176.995 0.042 19955 1218 1 2 . 1 1 867 867 LEU CA C 867 55.688 55.688 56.587 -0.899 19955 1219 1 2 . 1 1 867 867 LEU CB C 867 42.552 42.552 42.266 0.286 19955 1220 1 2 . 1 1 867 867 LEU H H 867 8.679 8.679 7.784 0.895 19955 1221 1 2 . 1 1 868 868 GLU N N 868 120.794 120.794 113.861 6.933 19955 1222 1 2 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.049 0.170 19955 1223 1 2 . 1 1 868 868 GLU C C 868 175.353 175.353 175.415 -0.062 19955 1224 1 2 . 1 1 868 868 GLU CA C 868 55.753 55.753 56.913 -1.160 19955 1225 1 2 . 1 1 868 868 GLU CB C 868 31.419 31.419 27.475 3.944 19955 1226 1 2 . 1 1 868 868 GLU H H 868 8.272 8.272 8.243 0.029 19955 1227 1 2 . 1 1 869 869 TYR N N 869 121.165 121.165 114.393 6.772 19955 1228 1 2 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.092 0.608 19955 1229 1 2 . 1 1 869 869 TYR C C 869 176.824 176.824 175.808 1.016 19955 1230 1 2 . 1 1 869 869 TYR CA C 869 56.809 56.809 59.324 -2.515 19955 1231 1 2 . 1 1 869 869 TYR CB C 869 38.650 38.650 38.101 0.549 19955 1232 1 2 . 1 1 869 869 TYR H H 869 8.003 8.003 7.753 0.250 19955 1233 1 2 . 1 1 870 870 GLY N N 870 104.958 104.958 106.422 -1.464 19955 1234 1 2 . 1 1 870 870 GLY C C 870 173.846 173.846 173.162 0.684 19955 1235 1 2 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.896 -0.677 19955 1236 1 2 . 1 1 870 870 GLY H H 870 8.590 8.590 8.527 0.063 19955 1237 1 2 . 1 1 871 871 GLU N N 871 122.341 122.341 119.106 3.235 19955 1238 1 2 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.521 -0.299 19955 1239 1 2 . 1 1 871 871 GLU C C 871 173.827 173.827 174.866 -1.039 19955 1240 1 2 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.851 1.008 19955 1241 1 2 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.745 0.189 19955 1242 1 2 . 1 1 871 871 GLU H H 871 9.246 9.246 7.897 1.349 19955 1243 1 2 . 1 1 872 872 ALA N N 872 126.709 126.709 122.436 4.273 19955 1244 1 2 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.150 -0.046 19955 1245 1 2 . 1 1 872 872 ALA C C 872 174.022 174.022 174.932 -0.910 19955 1246 1 2 . 1 1 872 872 ALA CA C 872 50.135 50.135 51.051 -0.916 19955 1247 1 2 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.862 1.636 19955 1248 1 2 . 1 1 872 872 ALA H H 872 9.266 9.266 8.725 0.541 19955 1249 1 2 . 1 1 873 873 ILE N N 873 118.554 118.554 120.598 -2.044 19955 1250 1 2 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.813 -0.199 19955 1251 1 2 . 1 1 873 873 ILE C C 873 176.132 176.132 175.441 0.691 19955 1252 1 2 . 1 1 873 873 ILE CA C 873 58.788 58.788 57.690 1.098 19955 1253 1 2 . 1 1 873 873 ILE CB C 873 40.630 40.630 40.327 0.303 19955 1254 1 2 . 1 1 873 873 ILE H H 873 8.522 8.522 8.811 -0.289 19955 1255 1 2 . 1 1 874 874 ALA N N 874 129.739 129.739 131.922 -2.183 19955 1256 1 2 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.328 -0.291 19955 1257 1 2 . 1 1 874 874 ALA C C 874 178.259 178.259 177.752 0.507 19955 1258 1 2 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.313 1.024 19955 1259 1 2 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.028 2.250 19955 1260 1 2 . 1 1 874 874 ALA H H 874 8.608 8.608 8.441 0.167 19955 1261 1 2 . 1 1 875 875 LYS N N 875 127.308 127.308 125.683 1.625 19955 1262 1 2 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.876 0.148 19955 1263 1 2 . 1 1 875 875 LYS C C 875 174.098 174.098 176.210 -2.112 19955 1264 1 2 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.763 -1.664 19955 1265 1 2 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.765 1.219 19955 1266 1 2 . 1 1 875 875 LYS H H 875 9.298 9.298 8.624 0.674 19955 1267 1 2 . 1 1 876 876 PHE N N 876 113.423 113.423 116.073 -2.650 19955 1268 1 2 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.663 0.248 19955 1269 1 2 . 1 1 876 876 PHE C C 876 174.050 174.050 175.288 -1.238 19955 1270 1 2 . 1 1 876 876 PHE CA C 876 53.845 53.845 55.507 -1.661 19955 1271 1 2 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.596 2.146 19955 1272 1 2 . 1 1 876 876 PHE H H 876 7.328 7.328 7.508 -0.180 19955 1273 1 2 . 1 1 877 877 ASN N N 877 116.437 116.437 121.910 -5.473 19955 1274 1 2 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.594 0.195 19955 1275 1 2 . 1 1 877 877 ASN C C 877 174.454 174.454 173.907 0.547 19955 1276 1 2 . 1 1 877 877 ASN CA C 877 53.535 53.535 54.326 -0.791 19955 1277 1 2 . 1 1 877 877 ASN CB C 877 38.207 38.207 39.099 -0.892 19955 1278 1 2 . 1 1 877 877 ASN H H 877 8.666 8.666 8.737 -0.071 19955 1279 1 2 . 1 1 878 878 PHE N N 878 123.179 123.179 127.121 -3.942 19955 1280 1 2 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.637 0.028 19955 1281 1 2 . 1 1 878 878 PHE C C 878 173.027 173.027 173.049 -0.022 19955 1282 1 2 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.902 -0.798 19955 1283 1 2 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.018 0.068 19955 1284 1 2 . 1 1 878 878 PHE H H 878 8.433 8.433 8.724 -0.291 19955 1285 1 2 . 1 1 879 879 ASN N N 879 127.113 127.113 124.419 2.694 19955 1286 1 2 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.661 -0.099 19955 1287 1 2 . 1 1 879 879 ASN C C 879 173.174 173.174 174.204 -1.030 19955 1288 1 2 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.525 -0.595 19955 1289 1 2 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.423 -0.036 19955 1290 1 2 . 1 1 879 879 ASN H H 879 8.000 8.000 7.781 0.219 19955 1291 1 2 . 1 1 880 880 GLY N N 880 110.949 110.949 110.369 0.580 19955 1292 1 2 . 1 1 880 880 GLY C C 880 173.383 173.383 174.446 -1.063 19955 1293 1 2 . 1 1 880 880 GLY CA C 880 45.658 45.658 45.002 0.656 19955 1294 1 2 . 1 1 880 880 GLY H H 880 7.997 7.997 8.341 -0.344 19955 1295 1 2 . 1 1 881 881 ASP N N 881 122.408 122.408 118.164 4.244 19955 1296 1 2 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.767 -0.134 19955 1297 1 2 . 1 1 881 881 ASP C C 881 176.286 176.286 176.046 0.240 19955 1298 1 2 . 1 1 881 881 ASP CA C 881 55.196 55.196 53.887 1.309 19955 1299 1 2 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.530 1.610 19955 1300 1 2 . 1 1 881 881 ASP H H 881 8.796 8.796 8.615 0.181 19955 1301 1 2 . 1 1 882 882 THR N N 882 108.354 108.354 111.239 -2.885 19955 1302 1 2 . 1 1 882 882 THR HA H 882 4.583 4.583 4.690 -0.107 19955 1303 1 2 . 1 1 882 882 THR C C 882 175.948 175.948 175.225 0.723 19955 1304 1 2 . 1 1 882 882 THR CA C 882 60.352 60.352 59.817 0.535 19955 1305 1 2 . 1 1 882 882 THR CB C 882 71.649 71.649 71.886 -0.237 19955 1306 1 2 . 1 1 882 882 THR H H 882 7.541 7.541 7.399 0.142 19955 1307 1 2 . 1 1 883 883 GLN N N 883 118.622 118.622 120.742 -2.120 19955 1308 1 2 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.102 0.050 19955 1309 1 2 . 1 1 883 883 GLN C C 883 176.478 176.478 176.233 0.245 19955 1310 1 2 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.179 0.016 19955 1311 1 2 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.080 0.589 19955 1312 1 2 . 1 1 883 883 GLN H H 883 8.710 8.710 8.685 0.025 19955 1313 1 2 . 1 1 884 884 VAL N N 884 111.473 111.473 111.036 0.437 19955 1314 1 2 . 1 1 884 884 VAL HA H 884 4.207 4.207 4.018 0.189 19955 1315 1 2 . 1 1 884 884 VAL C C 884 176.430 176.430 175.478 0.952 19955 1316 1 2 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.630 -1.337 19955 1317 1 2 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.637 0.287 19955 1318 1 2 . 1 1 884 884 VAL H H 884 7.260 7.260 7.793 -0.533 19955 1319 1 2 . 1 1 885 885 GLU N N 885 121.794 121.794 119.903 1.891 19955 1320 1 2 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.702 0.206 19955 1321 1 2 . 1 1 885 885 GLU C C 885 175.369 175.369 175.800 -0.431 19955 1322 1 2 . 1 1 885 885 GLU CA C 885 55.310 55.310 54.998 0.312 19955 1323 1 2 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.200 1.589 19955 1324 1 2 . 1 1 885 885 GLU H H 885 7.455 7.455 7.526 -0.071 19955 1325 1 2 . 1 1 886 886 MET N N 886 125.473 125.473 125.647 -0.174 19955 1326 1 2 . 1 1 886 886 MET HA H 886 4.534 4.534 4.689 -0.155 19955 1327 1 2 . 1 1 886 886 MET C C 886 172.841 172.841 175.274 -2.433 19955 1328 1 2 . 1 1 886 886 MET CA C 886 54.129 54.129 55.552 -1.423 19955 1329 1 2 . 1 1 886 886 MET CB C 886 35.157 35.157 33.942 1.215 19955 1330 1 2 . 1 1 886 886 MET H H 886 8.996 8.996 8.736 0.260 19955 1331 1 2 . 1 1 887 887 SER N N 887 118.425 118.425 120.101 -1.676 19955 1332 1 2 . 1 1 887 887 SER HA H 887 4.402 4.402 4.828 -0.426 19955 1333 1 2 . 1 1 887 887 SER C C 887 174.667 174.667 173.908 0.759 19955 1334 1 2 . 1 1 887 887 SER CA C 887 58.612 58.612 57.895 0.717 19955 1335 1 2 . 1 1 887 887 SER CB C 887 64.186 64.186 64.713 -0.527 19955 1336 1 2 . 1 1 887 887 SER H H 887 7.888 7.888 8.495 -0.607 19955 1337 1 2 . 1 1 888 888 PHE N N 888 116.363 116.363 116.314 0.049 19955 1338 1 2 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.876 -0.362 19955 1339 1 2 . 1 1 888 888 PHE C C 888 174.756 174.756 173.419 1.337 19955 1340 1 2 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.517 0.018 19955 1341 1 2 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.317 -0.515 19955 1342 1 2 . 1 1 888 888 PHE H H 888 8.780 8.780 8.373 0.407 19955 1343 1 2 . 1 1 889 889 ARG N N 889 121.944 121.944 120.072 1.872 19955 1344 1 2 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.607 0.365 19955 1345 1 2 . 1 1 889 889 ARG C C 889 175.318 175.318 176.152 -0.834 19955 1346 1 2 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.127 -0.829 19955 1347 1 2 . 1 1 889 889 ARG CB C 889 32.886 32.886 32.926 -0.040 19955 1348 1 2 . 1 1 889 889 ARG H H 889 10.187 10.187 8.656 1.531 19955 1349 1 2 . 1 1 890 890 LYS N N 890 119.991 119.991 122.447 -2.456 19955 1350 1 2 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.937 -0.689 19955 1351 1 2 . 1 1 890 890 LYS C C 890 176.504 176.504 177.824 -1.320 19955 1352 1 2 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.128 0.268 19955 1353 1 2 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.224 0.605 19955 1354 1 2 . 1 1 890 890 LYS H H 890 8.360 8.360 8.605 -0.245 19955 1355 1 2 . 1 1 891 891 GLY N N 891 113.950 113.950 114.725 -0.775 19955 1356 1 2 . 1 1 891 891 GLY C C 891 174.298 174.298 173.708 0.590 19955 1357 1 2 . 1 1 891 891 GLY CA C 891 44.668 44.668 45.122 -0.454 19955 1358 1 2 . 1 1 891 891 GLY H H 891 8.673 8.673 9.146 -0.473 19955 1359 1 2 . 1 1 892 892 GLU N N 892 119.511 119.511 121.265 -1.754 19955 1360 1 2 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.302 -0.186 19955 1361 1 2 . 1 1 892 892 GLU C C 892 174.618 174.618 176.075 -1.457 19955 1362 1 2 . 1 1 892 892 GLU CA C 892 59.515 59.515 55.421 4.094 19955 1363 1 2 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.969 -0.388 19955 1364 1 2 . 1 1 892 892 GLU H H 892 7.856 7.856 7.961 -0.105 19955 1365 1 2 . 1 1 893 893 ARG N N 893 122.979 122.979 123.176 -0.197 19955 1366 1 2 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.855 -0.258 19955 1367 1 2 . 1 1 893 893 ARG C C 893 174.836 174.836 176.198 -1.362 19955 1368 1 2 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.112 -0.584 19955 1369 1 2 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.402 -0.362 19955 1370 1 2 . 1 1 893 893 ARG H H 893 8.120 8.120 8.459 -0.339 19955 1371 1 2 . 1 1 894 894 ILE N N 894 122.659 122.659 122.773 -0.114 19955 1372 1 2 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.333 -0.270 19955 1373 1 2 . 1 1 894 894 ILE C C 894 175.789 175.789 174.517 1.272 19955 1374 1 2 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.165 0.101 19955 1375 1 2 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.320 1.107 19955 1376 1 2 . 1 1 894 894 ILE H H 894 8.586 8.586 8.745 -0.159 19955 1377 1 2 . 1 1 895 895 THR N N 895 124.709 124.709 121.227 3.482 19955 1378 1 2 . 1 1 895 895 THR HA H 895 4.441 4.441 4.890 -0.449 19955 1379 1 2 . 1 1 895 895 THR C C 895 174.124 174.124 174.392 -0.268 19955 1380 1 2 . 1 1 895 895 THR CA C 895 62.837 62.837 61.567 1.270 19955 1381 1 2 . 1 1 895 895 THR CB C 895 69.246 69.246 69.625 -0.379 19955 1382 1 2 . 1 1 895 895 THR H H 895 9.078 9.078 8.811 0.267 19955 1383 1 2 . 1 1 896 896 LEU N N 896 122.648 122.648 127.917 -5.269 19955 1384 1 2 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.401 -0.012 19955 1385 1 2 . 1 1 896 896 LEU C C 896 174.836 174.836 176.215 -1.379 19955 1386 1 2 . 1 1 896 896 LEU H H 896 8.583 8.583 8.804 -0.221 19955 1387 1 2 . 1 1 897 897 LEU N N 897 124.502 124.502 126.293 -1.791 19955 1388 1 2 . 1 1 897 897 LEU HA H 897 4.332 4.332 3.987 0.345 19955 1389 1 2 . 1 1 897 897 LEU C C 897 176.645 176.645 176.980 -0.335 19955 1390 1 2 . 1 1 897 897 LEU CA C 897 56.226 56.226 56.023 0.203 19955 1391 1 2 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.037 -0.706 19955 1392 1 2 . 1 1 897 897 LEU H H 897 8.984 8.984 8.607 0.377 19955 1393 1 2 . 1 1 898 898 ARG N N 898 108.422 108.422 114.834 -6.412 19955 1394 1 2 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.596 -0.154 19955 1395 1 2 . 1 1 898 898 ARG C C 898 173.645 173.645 174.030 -0.385 19955 1396 1 2 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.084 0.157 19955 1397 1 2 . 1 1 898 898 ARG CB C 898 31.609 31.609 31.820 -0.211 19955 1398 1 2 . 1 1 898 898 ARG H H 898 7.413 7.413 7.713 -0.300 19955 1399 1 2 . 1 1 899 899 GLN N N 899 124.503 124.503 121.026 3.477 19955 1400 1 2 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.626 -0.434 19955 1401 1 2 . 1 1 899 899 GLN C C 899 175.142 175.142 175.516 -0.374 19955 1402 1 2 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.373 0.923 19955 1403 1 2 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.014 -0.525 19955 1404 1 2 . 1 1 899 899 GLN H H 899 9.301 9.301 8.686 0.615 19955 1405 1 2 . 1 1 900 900 VAL N N 900 129.109 129.109 124.877 4.232 19955 1406 1 2 . 1 1 900 900 VAL HA H 900 3.666 3.666 4.113 -0.447 19955 1407 1 2 . 1 1 900 900 VAL C C 900 175.298 175.298 175.745 -0.447 19955 1408 1 2 . 1 1 900 900 VAL CA C 900 64.773 64.773 63.004 1.769 19955 1409 1 2 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.549 0.272 19955 1410 1 2 . 1 1 900 900 VAL H H 900 8.475 8.475 8.834 -0.359 19955 1411 1 2 . 1 1 901 901 ASP N N 901 118.573 118.573 118.247 0.326 19955 1412 1 2 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.831 -0.435 19955 1413 1 2 . 1 1 901 901 ASP C C 901 175.386 175.386 175.264 0.122 19955 1414 1 2 . 1 1 901 901 ASP CA C 901 53.300 53.300 53.441 -0.141 19955 1415 1 2 . 1 1 901 901 ASP CB C 901 40.163 40.163 43.520 -3.357 19955 1416 1 2 . 1 1 901 901 ASP H H 901 8.038 8.038 7.932 0.106 19955 1417 1 2 . 1 1 902 902 GLU N N 902 114.492 114.492 118.985 -4.493 19955 1418 1 2 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.211 -0.379 19955 1419 1 2 . 1 1 902 902 GLU C C 902 175.973 175.973 176.707 -0.734 19955 1420 1 2 . 1 1 902 902 GLU CA C 902 59.095 59.095 58.528 0.567 19955 1421 1 2 . 1 1 902 902 GLU CB C 902 29.507 29.507 29.770 -0.263 19955 1422 1 2 . 1 1 902 902 GLU H H 902 8.784 8.784 8.643 0.141 19955 1423 1 2 . 1 1 903 903 ASN N N 903 113.835 113.835 114.907 -1.072 19955 1424 1 2 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.858 0.006 19955 1425 1 2 . 1 1 903 903 ASN C C 903 175.238 175.238 173.507 1.731 19955 1426 1 2 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.774 1.026 19955 1427 1 2 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.873 2.337 19955 1428 1 2 . 1 1 903 903 ASN H H 903 8.763 8.763 8.439 0.324 19955 1429 1 2 . 1 1 904 904 TRP N N 904 121.517 121.517 118.803 2.714 19955 1430 1 2 . 1 1 904 904 TRP HA H 904 4.950 4.950 5.050 -0.100 19955 1431 1 2 . 1 1 904 904 TRP C C 904 175.223 175.223 174.899 0.324 19955 1432 1 2 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.425 0.754 19955 1433 1 2 . 1 1 904 904 TRP CB C 904 31.286 31.286 32.596 -1.310 19955 1434 1 2 . 1 1 904 904 TRP H H 904 8.141 8.141 7.671 0.470 19955 1435 1 2 . 1 1 905 905 TYR N N 905 121.365 121.365 115.697 5.668 19955 1436 1 2 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.031 -0.115 19955 1437 1 2 . 1 1 905 905 TYR C C 905 173.702 173.702 172.616 1.086 19955 1438 1 2 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.322 0.138 19955 1439 1 2 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.319 2.082 19955 1440 1 2 . 1 1 905 905 TYR H H 905 8.550 8.550 8.287 0.263 19955 1441 1 2 . 1 1 906 906 GLU N N 906 117.356 117.356 121.260 -3.904 19955 1442 1 2 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.428 0.457 19955 1443 1 2 . 1 1 906 906 GLU C C 906 176.159 176.159 175.275 0.884 19955 1444 1 2 . 1 1 906 906 GLU CA C 906 54.795 54.795 54.215 0.580 19955 1445 1 2 . 1 1 906 906 GLU CB C 906 32.590 32.590 32.935 -0.345 19955 1446 1 2 . 1 1 906 906 GLU H H 906 8.707 8.707 8.482 0.225 19955 1447 1 2 . 1 1 907 907 GLY N N 907 114.506 114.506 111.527 2.979 19955 1448 1 2 . 1 1 907 907 GLY C C 907 169.408 169.408 171.815 -2.407 19955 1449 1 2 . 1 1 907 907 GLY CA C 907 45.734 45.734 44.974 0.760 19955 1450 1 2 . 1 1 907 907 GLY H H 907 9.334 9.334 8.466 0.868 19955 1451 1 2 . 1 1 908 908 ARG N N 908 114.660 114.660 116.402 -1.742 19955 1452 1 2 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.306 0.071 19955 1453 1 2 . 1 1 908 908 ARG C C 908 173.981 173.981 174.555 -0.574 19955 1454 1 2 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.448 -0.171 19955 1455 1 2 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.180 0.409 19955 1456 1 2 . 1 1 908 908 ARG H H 908 8.694 8.694 8.531 0.163 19955 1457 1 2 . 1 1 909 909 ILE N N 909 124.579 124.579 122.666 1.913 19955 1458 1 2 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.498 0.421 19955 1459 1 2 . 1 1 909 909 ILE C C 909 175.024 175.024 174.647 0.377 19955 1460 1 2 . 1 1 909 909 ILE CA C 909 56.699 56.699 58.452 -1.753 19955 1461 1 2 . 1 1 909 909 ILE CB C 909 35.387 35.387 38.235 -2.848 19955 1462 1 2 . 1 1 909 909 ILE H H 909 7.757 7.757 8.114 -0.357 19955 1463 1 2 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.274 0.355 19955 1464 1 2 . 1 1 910 910 PRO C C 910 176.353 176.353 177.769 -1.416 19955 1465 1 2 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.276 -11.478 19955 1466 1 2 . 1 1 910 910 PRO CB C 910 30.408 30.408 32.137 -1.729 19955 1467 1 2 . 1 1 911 911 GLY N N 911 118.118 118.118 111.478 6.640 19955 1468 1 2 . 1 1 911 911 GLY C C 911 173.987 173.987 174.364 -0.377 19955 1469 1 2 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.088 0.244 19955 1470 1 2 . 1 1 911 911 GLY H H 911 7.869 7.869 8.632 -0.763 19955 1471 1 2 . 1 1 912 912 THR N N 912 109.041 109.041 112.325 -3.284 19955 1472 1 2 . 1 1 912 912 THR HA H 912 4.469 4.469 3.889 0.580 19955 1473 1 2 . 1 1 912 912 THR C C 912 174.144 174.144 174.372 -0.228 19955 1474 1 2 . 1 1 912 912 THR CA C 912 60.194 60.194 63.076 -2.882 19955 1475 1 2 . 1 1 912 912 THR CB C 912 72.812 72.812 67.340 5.473 19955 1476 1 2 . 1 1 912 912 THR H H 912 7.743 7.743 8.038 -0.295 19955 1477 1 2 . 1 1 913 913 SER N N 913 126.292 126.292 116.704 9.588 19955 1478 1 2 . 1 1 913 913 SER HA H 913 4.671 4.671 4.198 0.473 19955 1479 1 2 . 1 1 913 913 SER C C 913 174.781 174.781 174.615 0.166 19955 1480 1 2 . 1 1 913 913 SER CA C 913 57.411 57.411 60.954 -3.543 19955 1481 1 2 . 1 1 913 913 SER CB C 913 63.258 63.258 63.747 -0.489 19955 1482 1 2 . 1 1 913 913 SER H H 913 7.896 7.896 8.126 -0.230 19955 1483 1 2 . 1 1 914 914 ARG N N 914 124.284 124.284 118.214 6.070 19955 1484 1 2 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.489 -0.236 19955 1485 1 2 . 1 1 914 914 ARG C C 914 174.712 174.712 173.673 1.039 19955 1486 1 2 . 1 1 914 914 ARG CA C 914 56.960 56.960 56.081 0.879 19955 1487 1 2 . 1 1 914 914 ARG CB C 914 30.694 30.694 31.860 -1.166 19955 1488 1 2 . 1 1 914 914 ARG H H 914 8.631 8.631 7.859 0.772 19955 1489 1 2 . 1 1 915 915 GLN N N 915 124.297 124.297 123.972 0.325 19955 1490 1 2 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.239 0.142 19955 1491 1 2 . 1 1 915 915 GLN C C 915 174.377 174.377 174.165 0.212 19955 1492 1 2 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.652 0.914 19955 1493 1 2 . 1 1 915 915 GLN CB C 915 31.006 31.006 31.587 -0.581 19955 1494 1 2 . 1 1 915 915 GLN H H 915 8.054 8.054 8.453 -0.399 19955 1495 1 2 . 1 1 916 916 GLY N N 916 112.028 112.028 110.160 1.868 19955 1496 1 2 . 1 1 916 916 GLY C C 916 172.185 172.185 171.569 0.616 19955 1497 1 2 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.364 -0.117 19955 1498 1 2 . 1 1 916 916 GLY H H 916 8.818 8.818 8.791 0.027 19955 1499 1 2 . 1 1 917 917 ILE N N 917 113.634 113.634 115.721 -2.087 19955 1500 1 2 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.398 1.630 19955 1501 1 2 . 1 1 917 917 ILE C C 917 176.584 176.584 173.655 2.929 19955 1502 1 2 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.286 1.693 19955 1503 1 2 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.694 0.531 19955 1504 1 2 . 1 1 917 917 ILE H H 917 8.714 8.714 7.611 1.103 19955 1505 1 2 . 1 1 918 918 PHE N N 918 115.806 115.806 117.570 -1.764 19955 1506 1 2 . 1 1 918 918 PHE C C 918 170.959 170.959 172.509 -1.550 19955 1507 1 2 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.034 0.585 19955 1508 1 2 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.193 -0.571 19955 1509 1 2 . 1 1 918 918 PHE H H 918 8.573 8.573 7.189 1.384 19955 1510 1 2 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.334 -0.234 19955 1511 1 2 . 1 1 919 919 PRO C C 919 178.655 178.655 177.476 1.179 19955 1512 1 2 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.800 -0.802 19955 1513 1 2 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.811 -0.602 19955 1514 1 2 . 1 1 920 920 ILE N N 920 123.677 123.677 123.803 -0.126 19955 1515 1 2 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.879 -0.188 19955 1516 1 2 . 1 1 920 920 ILE C C 920 176.798 176.798 178.059 -1.261 19955 1517 1 2 . 1 1 920 920 ILE CA C 920 63.373 63.373 64.901 -1.528 19955 1518 1 2 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.643 1.208 19955 1519 1 2 . 1 1 920 920 ILE H H 920 7.949 7.949 8.291 -0.342 19955 1520 1 2 . 1 1 921 921 THR N N 921 106.993 106.993 116.020 -9.027 19955 1521 1 2 . 1 1 921 921 THR HA H 921 4.294 4.294 4.022 0.272 19955 1522 1 2 . 1 1 921 921 THR C C 921 175.639 175.639 175.797 -0.158 19955 1523 1 2 . 1 1 921 921 THR CA C 921 62.983 62.983 66.850 -3.867 19955 1524 1 2 . 1 1 921 921 THR CB C 921 69.104 69.104 68.847 0.257 19955 1525 1 2 . 1 1 921 921 THR H H 921 7.500 7.500 8.266 -0.766 19955 1526 1 2 . 1 1 922 922 TYR N N 922 118.600 118.600 118.169 0.431 19955 1527 1 2 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.716 -0.076 19955 1528 1 2 . 1 1 922 922 TYR C C 922 175.481 175.481 175.140 0.341 19955 1529 1 2 . 1 1 922 922 TYR CA C 922 59.448 59.448 58.231 1.217 19955 1530 1 2 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.266 0.334 19955 1531 1 2 . 1 1 922 922 TYR H H 922 7.836 7.836 7.819 0.017 19955 1532 1 2 . 1 1 923 923 VAL N N 923 109.058 109.058 118.232 -9.174 19955 1533 1 2 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.611 0.348 19955 1534 1 2 . 1 1 923 923 VAL C C 923 172.905 172.905 174.746 -1.841 19955 1535 1 2 . 1 1 923 923 VAL CA C 923 58.490 58.490 60.777 -2.287 19955 1536 1 2 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.388 -0.101 19955 1537 1 2 . 1 1 923 923 VAL H H 923 7.701 7.701 7.717 -0.016 19955 1538 1 2 . 1 1 924 924 ASP N N 924 120.115 120.115 124.885 -4.770 19955 1539 1 2 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.806 0.128 19955 1540 1 2 . 1 1 924 924 ASP C C 924 175.863 175.863 175.443 0.420 19955 1541 1 2 . 1 1 924 924 ASP CA C 924 52.934 52.934 51.952 0.982 19955 1542 1 2 . 1 1 924 924 ASP CB C 924 42.263 42.263 42.802 -0.539 19955 1543 1 2 . 1 1 924 924 ASP H H 924 8.658 8.658 9.130 -0.472 19955 1544 1 2 . 1 1 925 925 VAL N N 925 125.090 125.090 127.028 -1.938 19955 1545 1 2 . 1 1 925 925 VAL HA H 925 3.679 3.679 3.873 -0.194 19955 1546 1 2 . 1 1 925 925 VAL C C 925 175.620 175.620 175.873 -0.253 19955 1547 1 2 . 1 1 925 925 VAL CA C 925 64.215 64.215 63.162 1.053 19955 1548 1 2 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.895 -0.174 19955 1549 1 2 . 1 1 925 925 VAL H H 925 8.911 8.911 8.700 0.211 19955 1550 1 2 . 1 1 926 926 ILE N N 926 129.390 129.390 128.149 1.241 19955 1551 1 2 . 1 1 926 926 ILE HA H 926 4.037 4.037 4.072 -0.035 19955 1552 1 2 . 1 1 926 926 ILE C C 926 175.683 175.683 176.192 -0.509 19955 1553 1 2 . 1 1 926 926 ILE CA C 926 61.578 61.578 62.123 -0.545 19955 1554 1 2 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.098 0.449 19955 1555 1 2 . 1 1 926 926 ILE H H 926 8.519 8.519 8.269 0.250 19955 1556 1 2 . 1 1 927 927 LYS N N 927 122.060 122.060 120.087 1.973 19955 1557 1 2 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.488 0.124 19955 1558 1 2 . 1 1 927 927 LYS C C 927 175.204 175.204 174.835 0.369 19955 1559 1 2 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.284 0.313 19955 1560 1 2 . 1 1 927 927 LYS CB C 927 35.633 35.633 34.943 0.690 19955 1561 1 2 . 1 1 927 927 LYS H H 927 8.017 8.017 7.489 0.528 19955 1562 1 2 . 1 1 928 928 ARG N N 928 126.441 126.441 125.615 0.826 19955 1563 1 2 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.464 -0.037 19955 1564 1 2 . 1 1 928 928 ARG C C 928 173.959 173.959 174.832 -0.873 19955 1565 1 2 . 1 1 928 928 ARG CA C 928 55.488 55.488 54.827 0.661 19955 1566 1 2 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.106 0.607 19955 1567 1 2 . 1 1 928 928 ARG H H 928 8.729 8.729 8.527 0.202 19955 1568 1 2 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.515 -0.002 19955 1569 1 2 . 1 1 929 929 PRO CA C 929 62.718 62.718 63.137 -0.419 19955 1570 1 2 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.383 -0.767 19955 1571 1 3 . 1 1 790 790 MET HA H 790 4.396 4.396 4.537 -0.141 19955 1572 1 3 . 1 1 790 790 MET CA C 790 55.378 55.378 56.034 -0.656 19955 1573 1 3 . 1 1 790 790 MET CB C 790 32.960 32.960 32.897 0.063 19955 1574 1 3 . 1 1 791 791 SER N N 791 118.373 118.373 117.889 0.484 19955 1575 1 3 . 1 1 791 791 SER HA H 791 4.362 4.362 4.580 -0.218 19955 1576 1 3 . 1 1 791 791 SER C C 791 175.043 175.043 174.999 0.044 19955 1577 1 3 . 1 1 791 791 SER CA C 791 58.532 58.532 58.018 0.514 19955 1578 1 3 . 1 1 791 791 SER CB C 791 63.749 63.749 64.607 -0.858 19955 1579 1 3 . 1 1 791 791 SER H H 791 8.657 8.657 8.150 0.507 19955 1580 1 3 . 1 1 792 792 GLY N N 792 111.254 111.254 111.962 -0.708 19955 1581 1 3 . 1 1 792 792 GLY C C 792 174.362 174.362 174.184 0.178 19955 1582 1 3 . 1 1 792 792 GLY CA C 792 45.539 45.539 45.238 0.301 19955 1583 1 3 . 1 1 792 792 GLY H H 792 8.560 8.560 8.442 0.118 19955 1584 1 3 . 1 1 793 793 SER N N 793 115.369 115.369 116.322 -0.953 19955 1585 1 3 . 1 1 793 793 SER HA H 793 4.409 4.409 4.672 -0.263 19955 1586 1 3 . 1 1 793 793 SER C C 793 174.396 174.396 173.136 1.260 19955 1587 1 3 . 1 1 793 793 SER CA C 793 58.485 58.485 57.900 0.585 19955 1588 1 3 . 1 1 793 793 SER CB C 793 63.845 63.845 65.007 -1.162 19955 1589 1 3 . 1 1 793 793 SER H H 793 8.102 8.102 7.926 0.176 19955 1590 1 3 . 1 1 794 794 GLU N N 794 122.660 122.660 123.870 -1.210 19955 1591 1 3 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.684 -0.474 19955 1592 1 3 . 1 1 794 794 GLU C C 794 175.970 175.970 175.489 0.481 19955 1593 1 3 . 1 1 794 794 GLU CA C 794 56.849 56.849 55.822 1.027 19955 1594 1 3 . 1 1 794 794 GLU CB C 794 30.261 30.261 31.605 -1.344 19955 1595 1 3 . 1 1 794 794 GLU H H 794 8.565 8.565 8.584 -0.019 19955 1596 1 3 . 1 1 795 795 MET N N 795 119.544 119.544 118.718 0.826 19955 1597 1 3 . 1 1 795 795 MET HA H 795 4.653 4.653 4.962 -0.309 19955 1598 1 3 . 1 1 795 795 MET C C 795 175.590 175.590 175.840 -0.250 19955 1599 1 3 . 1 1 795 795 MET CA C 795 55.135 55.135 53.591 1.544 19955 1600 1 3 . 1 1 795 795 MET CB C 795 32.378 32.378 35.218 -2.840 19955 1601 1 3 . 1 1 795 795 MET H H 795 8.156 8.156 8.473 -0.317 19955 1602 1 3 . 1 1 796 796 ARG N N 796 122.177 122.177 121.212 0.965 19955 1603 1 3 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.895 0.016 19955 1604 1 3 . 1 1 796 796 ARG C C 796 173.378 173.378 174.302 -0.924 19955 1605 1 3 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.887 -0.952 19955 1606 1 3 . 1 1 796 796 ARG CB C 796 32.172 32.172 31.170 1.002 19955 1607 1 3 . 1 1 796 796 ARG H H 796 8.358 8.358 8.682 -0.324 19955 1608 1 3 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.769 -0.073 19955 1609 1 3 . 1 1 797 797 PRO C C 797 175.805 175.805 175.554 0.251 19955 1610 1 3 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.043 0.114 19955 1611 1 3 . 1 1 797 797 PRO CB C 797 32.377 32.377 32.207 0.170 19955 1612 1 3 . 1 1 798 798 ALA N N 798 123.383 123.383 124.136 -0.753 19955 1613 1 3 . 1 1 798 798 ALA HA H 798 4.699 4.699 5.139 -0.440 19955 1614 1 3 . 1 1 798 798 ALA C C 798 173.534 173.534 174.926 -1.392 19955 1615 1 3 . 1 1 798 798 ALA CA C 798 50.823 50.823 50.285 0.538 19955 1616 1 3 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.471 0.252 19955 1617 1 3 . 1 1 798 798 ALA H H 798 8.820 8.820 8.797 0.023 19955 1618 1 3 . 1 1 799 799 ARG N N 799 118.968 118.968 121.399 -2.431 19955 1619 1 3 . 1 1 799 799 ARG HA H 799 5.341 5.341 5.221 0.120 19955 1620 1 3 . 1 1 799 799 ARG C C 799 176.215 176.215 175.211 1.004 19955 1621 1 3 . 1 1 799 799 ARG CA C 799 53.122 53.122 53.726 -0.604 19955 1622 1 3 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.488 0.951 19955 1623 1 3 . 1 1 799 799 ARG H H 799 8.803 8.803 8.188 0.615 19955 1624 1 3 . 1 1 800 800 ALA N N 800 128.073 128.073 129.443 -1.370 19955 1625 1 3 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.662 -0.125 19955 1626 1 3 . 1 1 800 800 ALA C C 800 178.146 178.146 176.005 2.141 19955 1627 1 3 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.439 0.769 19955 1628 1 3 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.671 -1.017 19955 1629 1 3 . 1 1 800 800 ALA H H 800 9.037 9.037 9.020 0.017 19955 1630 1 3 . 1 1 801 801 LYS N N 801 127.334 127.334 123.762 3.572 19955 1631 1 3 . 1 1 801 801 LYS HA H 801 3.758 3.758 4.042 -0.284 19955 1632 1 3 . 1 1 801 801 LYS C C 801 174.213 174.213 175.385 -1.172 19955 1633 1 3 . 1 1 801 801 LYS CA C 801 57.344 57.344 56.831 0.513 19955 1634 1 3 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.225 0.422 19955 1635 1 3 . 1 1 801 801 LYS H H 801 9.291 9.291 8.308 0.983 19955 1636 1 3 . 1 1 802 802 PHE N N 802 111.696 111.696 117.591 -5.895 19955 1637 1 3 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.383 0.358 19955 1638 1 3 . 1 1 802 802 PHE C C 802 173.408 173.408 174.534 -1.126 19955 1639 1 3 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.657 -3.288 19955 1640 1 3 . 1 1 802 802 PHE CB C 802 43.242 43.242 41.713 1.529 19955 1641 1 3 . 1 1 802 802 PHE H H 802 7.069 7.069 7.361 -0.292 19955 1642 1 3 . 1 1 803 803 ASP N N 803 117.498 117.498 121.550 -4.052 19955 1643 1 3 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.803 -0.279 19955 1644 1 3 . 1 1 803 803 ASP C C 803 175.782 175.782 175.087 0.695 19955 1645 1 3 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.791 0.935 19955 1646 1 3 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.519 -0.365 19955 1647 1 3 . 1 1 803 803 ASP H H 803 8.339 8.339 8.460 -0.121 19955 1648 1 3 . 1 1 804 804 PHE N N 804 123.264 123.264 121.748 1.516 19955 1649 1 3 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.893 0.099 19955 1650 1 3 . 1 1 804 804 PHE C C 804 173.750 173.750 173.749 0.001 19955 1651 1 3 . 1 1 804 804 PHE CA C 804 56.221 56.221 57.671 -1.450 19955 1652 1 3 . 1 1 804 804 PHE CB C 804 42.132 42.132 43.346 -1.214 19955 1653 1 3 . 1 1 804 804 PHE H H 804 9.223 9.223 9.402 -0.179 19955 1654 1 3 . 1 1 805 805 LYS N N 805 129.548 129.548 128.083 1.465 19955 1655 1 3 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.442 -0.321 19955 1656 1 3 . 1 1 805 805 LYS C C 805 174.042 174.042 174.769 -0.727 19955 1657 1 3 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.342 0.026 19955 1658 1 3 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.319 -1.538 19955 1659 1 3 . 1 1 805 805 LYS H H 805 8.125 8.125 7.992 0.133 19955 1660 1 3 . 1 1 806 806 ALA N N 806 127.231 127.231 127.974 -0.743 19955 1661 1 3 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.173 -0.291 19955 1662 1 3 . 1 1 806 806 ALA C C 806 178.066 178.066 177.662 0.404 19955 1663 1 3 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.842 -1.244 19955 1664 1 3 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.084 1.421 19955 1665 1 3 . 1 1 806 806 ALA H H 806 7.291 7.291 8.376 -1.085 19955 1666 1 3 . 1 1 807 807 GLN N N 807 121.482 121.482 122.328 -0.846 19955 1667 1 3 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.253 0.073 19955 1668 1 3 . 1 1 807 807 GLN C C 807 175.927 175.927 175.692 0.235 19955 1669 1 3 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.636 -0.430 19955 1670 1 3 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.864 1.078 19955 1671 1 3 . 1 1 807 807 GLN H H 807 9.375 9.375 8.970 0.405 19955 1672 1 3 . 1 1 808 808 THR N N 808 108.842 108.842 115.021 -6.179 19955 1673 1 3 . 1 1 808 808 THR HA H 808 4.661 4.661 4.470 0.191 19955 1674 1 3 . 1 1 808 808 THR C C 808 175.262 175.262 174.475 0.787 19955 1675 1 3 . 1 1 808 808 THR CA C 808 59.313 59.313 60.300 -0.987 19955 1676 1 3 . 1 1 808 808 THR CB C 808 71.810 71.810 70.987 0.823 19955 1677 1 3 . 1 1 808 808 THR H H 808 7.472 7.472 7.603 -0.131 19955 1678 1 3 . 1 1 809 809 LEU N N 809 119.518 119.518 126.742 -7.224 19955 1679 1 3 . 1 1 809 809 LEU HA H 809 4.200 4.200 3.916 0.284 19955 1680 1 3 . 1 1 809 809 LEU C C 809 177.895 177.895 178.702 -0.807 19955 1681 1 3 . 1 1 809 809 LEU CA C 809 57.087 57.087 58.197 -1.110 19955 1682 1 3 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.777 0.124 19955 1683 1 3 . 1 1 809 809 LEU H H 809 8.387 8.387 8.872 -0.485 19955 1684 1 3 . 1 1 810 810 LYS N N 810 115.587 115.587 118.062 -2.475 19955 1685 1 3 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.075 0.155 19955 1686 1 3 . 1 1 810 810 LYS C C 810 177.172 177.172 177.158 0.014 19955 1687 1 3 . 1 1 810 810 LYS CA C 810 56.807 56.807 58.183 -1.376 19955 1688 1 3 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.698 0.361 19955 1689 1 3 . 1 1 810 810 LYS H H 810 7.707 7.707 8.236 -0.529 19955 1690 1 3 . 1 1 811 811 GLU N N 811 119.522 119.522 116.844 2.678 19955 1691 1 3 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.440 0.259 19955 1692 1 3 . 1 1 811 811 GLU C C 811 174.240 174.240 175.596 -1.356 19955 1693 1 3 . 1 1 811 811 GLU CA C 811 55.419 55.419 56.734 -1.315 19955 1694 1 3 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.757 1.597 19955 1695 1 3 . 1 1 811 811 GLU H H 811 7.244 7.244 8.089 -0.845 19955 1696 1 3 . 1 1 812 812 LEU N N 812 126.910 126.910 117.215 9.695 19955 1697 1 3 . 1 1 812 812 LEU C C 812 172.269 172.269 174.542 -2.273 19955 1698 1 3 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.406 -0.895 19955 1699 1 3 . 1 1 812 812 LEU CB C 812 45.092 45.092 43.911 1.181 19955 1700 1 3 . 1 1 812 812 LEU H H 812 9.168 9.168 8.360 0.808 19955 1701 1 3 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.931 -0.494 19955 1702 1 3 . 1 1 813 813 PRO C C 813 176.755 176.755 175.901 0.854 19955 1703 1 3 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.657 -0.111 19955 1704 1 3 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.501 -0.526 19955 1705 1 3 . 1 1 814 814 LEU N N 814 118.726 118.726 122.300 -3.574 19955 1706 1 3 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.750 -0.104 19955 1707 1 3 . 1 1 814 814 LEU C C 814 176.452 176.452 174.845 1.607 19955 1708 1 3 . 1 1 814 814 LEU CA C 814 53.391 53.391 54.541 -1.150 19955 1709 1 3 . 1 1 814 814 LEU CB C 814 46.896 46.896 47.119 -0.223 19955 1710 1 3 . 1 1 814 814 LEU H H 814 8.532 8.532 9.198 -0.666 19955 1711 1 3 . 1 1 815 815 GLN N N 815 123.473 123.473 123.442 0.031 19955 1712 1 3 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.572 0.179 19955 1713 1 3 . 1 1 815 815 GLN C C 815 174.820 174.820 175.889 -1.069 19955 1714 1 3 . 1 1 815 815 GLN CA C 815 53.336 53.336 54.036 -0.700 19955 1715 1 3 . 1 1 815 815 GLN CB C 815 31.094 31.094 30.666 0.428 19955 1716 1 3 . 1 1 815 815 GLN H H 815 8.938 8.938 8.950 -0.012 19955 1717 1 3 . 1 1 816 816 LYS N N 816 122.982 122.982 124.864 -1.882 19955 1718 1 3 . 1 1 816 816 LYS HA H 816 3.115 3.115 4.087 -0.972 19955 1719 1 3 . 1 1 816 816 LYS C C 816 177.030 177.030 175.920 1.110 19955 1720 1 3 . 1 1 816 816 LYS CA C 816 58.676 58.676 56.892 1.784 19955 1721 1 3 . 1 1 816 816 LYS CB C 816 32.242 32.242 30.490 1.752 19955 1722 1 3 . 1 1 816 816 LYS H H 816 8.888 8.888 8.888 0.000 19955 1723 1 3 . 1 1 817 817 GLY N N 817 115.370 115.370 107.499 7.871 19955 1724 1 3 . 1 1 817 817 GLY C C 817 174.271 174.271 173.565 0.706 19955 1725 1 3 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.997 -0.336 19955 1726 1 3 . 1 1 817 817 GLY H H 817 8.870 8.870 8.252 0.618 19955 1727 1 3 . 1 1 818 818 ASP N N 818 123.102 123.102 121.398 1.704 19955 1728 1 3 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.912 -0.583 19955 1729 1 3 . 1 1 818 818 ASP C C 818 175.076 175.076 174.899 0.177 19955 1730 1 3 . 1 1 818 818 ASP CA C 818 55.595 55.595 52.389 3.205 19955 1731 1 3 . 1 1 818 818 ASP CB C 818 41.538 41.538 42.521 -0.983 19955 1732 1 3 . 1 1 818 818 ASP H H 818 8.468 8.468 7.970 0.498 19955 1733 1 3 . 1 1 819 819 ILE N N 819 121.053 121.053 119.665 1.388 19955 1734 1 3 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.624 0.196 19955 1735 1 3 . 1 1 819 819 ILE C C 819 175.630 175.630 175.248 0.382 19955 1736 1 3 . 1 1 819 819 ILE CA C 819 58.602 58.602 58.832 -0.230 19955 1737 1 3 . 1 1 819 819 ILE CB C 819 36.541 36.541 38.572 -2.031 19955 1738 1 3 . 1 1 819 819 ILE H H 819 8.286 8.286 8.195 0.091 19955 1739 1 3 . 1 1 820 820 VAL N N 820 124.554 124.554 119.055 5.499 19955 1740 1 3 . 1 1 820 820 VAL HA H 820 4.679 4.679 4.870 -0.191 19955 1741 1 3 . 1 1 820 820 VAL C C 820 172.751 172.751 174.043 -1.292 19955 1742 1 3 . 1 1 820 820 VAL CA C 820 57.861 57.861 59.503 -1.642 19955 1743 1 3 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.224 -0.852 19955 1744 1 3 . 1 1 820 820 VAL H H 820 8.717 8.717 8.745 -0.028 19955 1745 1 3 . 1 1 821 821 TYR N N 821 120.296 120.296 121.949 -1.653 19955 1746 1 3 . 1 1 821 821 TYR HA H 821 4.803 4.803 4.825 -0.022 19955 1747 1 3 . 1 1 821 821 TYR C C 821 175.760 175.760 175.818 -0.058 19955 1748 1 3 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.694 0.144 19955 1749 1 3 . 1 1 821 821 TYR CB C 821 40.132 40.132 40.113 0.019 19955 1750 1 3 . 1 1 821 821 TYR H H 821 8.360 8.360 8.385 -0.025 19955 1751 1 3 . 1 1 822 822 ILE N N 822 123.440 123.440 124.660 -1.220 19955 1752 1 3 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.465 -0.600 19955 1753 1 3 . 1 1 822 822 ILE C C 822 176.541 176.541 176.376 0.165 19955 1754 1 3 . 1 1 822 822 ILE CA C 822 62.327 62.327 62.473 -0.146 19955 1755 1 3 . 1 1 822 822 ILE CB C 822 39.429 39.429 38.475 0.954 19955 1756 1 3 . 1 1 822 822 ILE H H 822 8.991 8.991 8.342 0.649 19955 1757 1 3 . 1 1 823 823 TYR N N 823 127.197 127.197 125.989 1.208 19955 1758 1 3 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.989 0.079 19955 1759 1 3 . 1 1 823 823 TYR C C 823 176.327 176.327 174.743 1.584 19955 1760 1 3 . 1 1 823 823 TYR CA C 823 56.331 56.331 56.167 0.164 19955 1761 1 3 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.743 -2.458 19955 1762 1 3 . 1 1 823 823 TYR H H 823 9.699 9.699 8.845 0.854 19955 1763 1 3 . 1 1 824 824 LYS N N 824 113.691 113.691 120.374 -6.683 19955 1764 1 3 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.254 0.410 19955 1765 1 3 . 1 1 824 824 LYS C C 824 174.044 174.044 173.755 0.289 19955 1766 1 3 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.579 -0.278 19955 1767 1 3 . 1 1 824 824 LYS CB C 824 35.104 35.104 33.778 1.326 19955 1768 1 3 . 1 1 824 824 LYS H H 824 7.904 7.904 7.311 0.593 19955 1769 1 3 . 1 1 825 825 GLN N N 825 122.998 122.998 126.161 -3.163 19955 1770 1 3 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.430 0.184 19955 1771 1 3 . 1 1 825 825 GLN C C 825 175.372 175.372 175.227 0.145 19955 1772 1 3 . 1 1 825 825 GLN CA C 825 55.970 55.970 55.910 0.060 19955 1773 1 3 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.470 -0.456 19955 1774 1 3 . 1 1 825 825 GLN H H 825 9.091 9.091 8.763 0.328 19955 1775 1 3 . 1 1 826 826 ILE N N 826 126.911 126.911 126.636 0.275 19955 1776 1 3 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.020 -0.070 19955 1777 1 3 . 1 1 826 826 ILE C C 826 175.447 175.447 176.417 -0.970 19955 1778 1 3 . 1 1 826 826 ILE CA C 826 62.062 62.062 62.482 -0.420 19955 1779 1 3 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.241 -0.062 19955 1780 1 3 . 1 1 826 826 ILE H H 826 8.356 8.356 8.713 -0.357 19955 1781 1 3 . 1 1 827 827 ASP N N 827 118.575 118.575 116.906 1.669 19955 1782 1 3 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.908 -0.489 19955 1783 1 3 . 1 1 827 827 ASP C C 827 175.673 175.673 174.946 0.727 19955 1784 1 3 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.553 0.702 19955 1785 1 3 . 1 1 827 827 ASP CB C 827 40.120 40.120 44.010 -3.890 19955 1786 1 3 . 1 1 827 827 ASP H H 827 7.952 7.952 7.566 0.386 19955 1787 1 3 . 1 1 828 828 GLN N N 828 113.633 113.633 117.476 -3.843 19955 1788 1 3 . 1 1 828 828 GLN HA H 828 3.872 3.872 3.993 -0.121 19955 1789 1 3 . 1 1 828 828 GLN C C 828 175.745 175.745 176.138 -0.393 19955 1790 1 3 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.199 0.062 19955 1791 1 3 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.923 -0.425 19955 1792 1 3 . 1 1 828 828 GLN H H 828 8.468 8.468 8.635 -0.167 19955 1793 1 3 . 1 1 829 829 ASN N N 829 114.412 114.412 115.440 -1.028 19955 1794 1 3 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.490 0.252 19955 1795 1 3 . 1 1 829 829 ASN C C 829 175.652 175.652 174.865 0.787 19955 1796 1 3 . 1 1 829 829 ASN CA C 829 53.641 53.641 53.347 0.293 19955 1797 1 3 . 1 1 829 829 ASN CB C 829 41.815 41.815 38.851 2.964 19955 1798 1 3 . 1 1 829 829 ASN H H 829 8.799 8.799 8.232 0.567 19955 1799 1 3 . 1 1 830 830 TRP N N 830 121.661 121.661 120.159 1.502 19955 1800 1 3 . 1 1 830 830 TRP HA H 830 4.810 4.810 4.211 0.599 19955 1801 1 3 . 1 1 830 830 TRP C C 830 175.077 175.077 175.529 -0.452 19955 1802 1 3 . 1 1 830 830 TRP CA C 830 57.290 57.290 58.452 -1.162 19955 1803 1 3 . 1 1 830 830 TRP CB C 830 32.570 32.570 29.735 2.835 19955 1804 1 3 . 1 1 830 830 TRP H H 830 8.033 8.033 7.940 0.093 19955 1805 1 3 . 1 1 831 831 TYR N N 831 120.163 120.163 119.206 0.957 19955 1806 1 3 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.536 0.509 19955 1807 1 3 . 1 1 831 831 TYR C C 831 173.672 173.672 173.158 0.514 19955 1808 1 3 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.997 -0.625 19955 1809 1 3 . 1 1 831 831 TYR CB C 831 42.726 42.726 42.184 0.542 19955 1810 1 3 . 1 1 831 831 TYR H H 831 8.721 8.721 7.846 0.875 19955 1811 1 3 . 1 1 832 832 GLU N N 832 117.935 117.935 121.172 -3.237 19955 1812 1 3 . 1 1 832 832 GLU HA H 832 4.937 4.937 4.761 0.176 19955 1813 1 3 . 1 1 832 832 GLU C C 832 176.121 176.121 175.082 1.039 19955 1814 1 3 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.026 0.378 19955 1815 1 3 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.404 0.551 19955 1816 1 3 . 1 1 832 832 GLU H H 832 8.696 8.696 8.195 0.501 19955 1817 1 3 . 1 1 833 833 GLY N N 833 115.171 115.171 111.478 3.693 19955 1818 1 3 . 1 1 833 833 GLY C C 833 168.962 168.962 172.326 -3.364 19955 1819 1 3 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.233 1.390 19955 1820 1 3 . 1 1 833 833 GLY H H 833 9.063 9.063 8.378 0.685 19955 1821 1 3 . 1 1 834 834 GLU N N 834 117.849 117.849 120.336 -2.487 19955 1822 1 3 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.476 0.213 19955 1823 1 3 . 1 1 834 834 GLU C C 834 175.077 175.077 175.018 0.059 19955 1824 1 3 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.505 -0.539 19955 1825 1 3 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.403 1.641 19955 1826 1 3 . 1 1 834 834 GLU H H 834 8.708 8.708 8.758 -0.050 19955 1827 1 3 . 1 1 835 835 HIS N N 835 120.973 120.973 126.545 -5.572 19955 1828 1 3 . 1 1 835 835 HIS HA H 835 4.834 4.834 4.928 -0.094 19955 1829 1 3 . 1 1 835 835 HIS C C 835 174.509 174.509 174.530 -0.021 19955 1830 1 3 . 1 1 835 835 HIS CA C 835 56.249 56.249 56.563 -0.314 19955 1831 1 3 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.773 0.438 19955 1832 1 3 . 1 1 835 835 HIS H H 835 8.799 8.799 9.418 -0.619 19955 1833 1 3 . 1 1 836 836 HIS N N 836 125.728 125.728 125.214 0.514 19955 1834 1 3 . 1 1 836 836 HIS HA H 836 4.166 4.166 3.941 0.225 19955 1835 1 3 . 1 1 836 836 HIS C C 836 175.012 175.012 175.281 -0.269 19955 1836 1 3 . 1 1 836 836 HIS CA C 836 55.689 55.689 56.362 -0.673 19955 1837 1 3 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.275 -0.281 19955 1838 1 3 . 1 1 836 836 HIS H H 836 9.163 9.163 8.881 0.282 19955 1839 1 3 . 1 1 837 837 GLY N N 837 104.909 104.909 104.778 0.131 19955 1840 1 3 . 1 1 837 837 GLY C C 837 173.235 173.235 173.602 -0.367 19955 1841 1 3 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.322 0.332 19955 1842 1 3 . 1 1 837 837 GLY H H 837 9.070 9.070 8.620 0.450 19955 1843 1 3 . 1 1 838 838 ARG N N 838 122.925 122.925 119.046 3.879 19955 1844 1 3 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.808 -0.215 19955 1845 1 3 . 1 1 838 838 ARG C C 838 173.682 173.682 173.920 -0.238 19955 1846 1 3 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.715 0.166 19955 1847 1 3 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.707 -1.649 19955 1848 1 3 . 1 1 838 838 ARG H H 838 7.814 7.814 7.743 0.071 19955 1849 1 3 . 1 1 839 839 VAL N N 839 123.572 123.572 122.967 0.605 19955 1850 1 3 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.534 -0.400 19955 1851 1 3 . 1 1 839 839 VAL C C 839 177.296 177.296 174.483 2.813 19955 1852 1 3 . 1 1 839 839 VAL CA C 839 60.200 60.200 59.799 0.401 19955 1853 1 3 . 1 1 839 839 VAL CB C 839 33.994 33.994 35.286 -1.292 19955 1854 1 3 . 1 1 839 839 VAL H H 839 8.360 8.360 8.449 -0.089 19955 1855 1 3 . 1 1 840 840 GLY N N 840 114.006 114.006 114.071 -0.065 19955 1856 1 3 . 1 1 840 840 GLY C C 840 171.246 171.246 172.184 -0.938 19955 1857 1 3 . 1 1 840 840 GLY CA C 840 45.896 45.896 44.949 0.947 19955 1858 1 3 . 1 1 840 840 GLY H H 840 8.951 8.951 8.317 0.634 19955 1859 1 3 . 1 1 841 841 ILE N N 841 112.496 112.496 116.760 -4.264 19955 1860 1 3 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.871 1.010 19955 1861 1 3 . 1 1 841 841 ILE C C 841 176.120 176.120 173.750 2.370 19955 1862 1 3 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.782 0.585 19955 1863 1 3 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.925 -1.008 19955 1864 1 3 . 1 1 841 841 ILE H H 841 8.434 8.434 8.213 0.221 19955 1865 1 3 . 1 1 842 842 PHE N N 842 116.289 116.289 116.946 -0.657 19955 1866 1 3 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.909 0.062 19955 1867 1 3 . 1 1 842 842 PHE C C 842 171.777 171.777 172.710 -0.933 19955 1868 1 3 . 1 1 842 842 PHE CA C 842 54.265 54.265 55.332 -1.067 19955 1869 1 3 . 1 1 842 842 PHE CB C 842 37.515 37.515 40.092 -2.577 19955 1870 1 3 . 1 1 842 842 PHE H H 842 8.408 8.408 7.829 0.579 19955 1871 1 3 . 1 1 843 843 PRO HA H 843 3.934 3.934 3.936 -0.002 19955 1872 1 3 . 1 1 843 843 PRO C C 843 178.228 178.228 177.668 0.560 19955 1873 1 3 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.574 -0.961 19955 1874 1 3 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.627 -0.231 19955 1875 1 3 . 1 1 844 844 ARG N N 844 122.291 122.291 125.004 -2.713 19955 1876 1 3 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.153 -0.209 19955 1877 1 3 . 1 1 844 844 ARG C C 844 178.171 178.171 177.642 0.529 19955 1878 1 3 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.851 -1.233 19955 1879 1 3 . 1 1 844 844 ARG CB C 844 30.297 30.297 29.260 1.037 19955 1880 1 3 . 1 1 844 844 ARG H H 844 7.906 7.906 8.412 -0.506 19955 1881 1 3 . 1 1 845 845 THR N N 845 105.068 105.068 110.559 -5.491 19955 1882 1 3 . 1 1 845 845 THR HA H 845 4.159 4.159 4.171 -0.012 19955 1883 1 3 . 1 1 845 845 THR C C 845 175.363 175.363 174.559 0.804 19955 1884 1 3 . 1 1 845 845 THR CA C 845 63.035 63.035 64.611 -1.576 19955 1885 1 3 . 1 1 845 845 THR CB C 845 69.022 69.022 68.135 0.887 19955 1886 1 3 . 1 1 845 845 THR H H 845 7.907 7.907 8.132 -0.225 19955 1887 1 3 . 1 1 846 846 TYR N N 846 118.977 118.977 119.746 -0.769 19955 1888 1 3 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.739 -0.204 19955 1889 1 3 . 1 1 846 846 TYR C C 846 174.917 174.917 174.696 0.221 19955 1890 1 3 . 1 1 846 846 TYR CA C 846 58.751 58.751 58.447 0.304 19955 1891 1 3 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.635 -1.579 19955 1892 1 3 . 1 1 846 846 TYR H H 846 7.611 7.611 7.768 -0.157 19955 1893 1 3 . 1 1 847 847 ILE N N 847 113.230 113.230 111.883 1.347 19955 1894 1 3 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.118 -0.019 19955 1895 1 3 . 1 1 847 847 ILE C C 847 174.141 174.141 174.505 -0.364 19955 1896 1 3 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.287 -0.833 19955 1897 1 3 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.267 -0.076 19955 1898 1 3 . 1 1 847 847 ILE H H 847 7.390 7.390 7.560 -0.170 19955 1899 1 3 . 1 1 848 848 GLU N N 848 121.909 121.909 121.442 0.467 19955 1900 1 3 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.654 -0.106 19955 1901 1 3 . 1 1 848 848 GLU C C 848 175.193 175.193 175.096 0.097 19955 1902 1 3 . 1 1 848 848 GLU CA C 848 53.664 53.664 53.948 -0.284 19955 1903 1 3 . 1 1 848 848 GLU CB C 848 32.624 32.624 31.685 0.939 19955 1904 1 3 . 1 1 848 848 GLU H H 848 8.786 8.786 8.662 0.124 19955 1905 1 3 . 1 1 849 849 LEU N N 849 126.431 126.431 127.527 -1.096 19955 1906 1 3 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.024 0.067 19955 1907 1 3 . 1 1 849 849 LEU C C 849 177.019 177.019 176.867 0.152 19955 1908 1 3 . 1 1 849 849 LEU CA C 849 55.667 55.667 55.286 0.381 19955 1909 1 3 . 1 1 849 849 LEU CB C 849 41.542 41.542 41.934 -0.392 19955 1910 1 3 . 1 1 849 849 LEU H H 849 8.730 8.730 8.872 -0.142 19955 1911 1 3 . 1 1 850 850 LEU N N 850 123.942 123.942 122.347 1.595 19955 1912 1 3 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.035 0.527 19955 1913 1 3 . 1 1 850 850 LEU C C 850 174.453 174.453 174.414 0.039 19955 1914 1 3 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.326 -1.521 19955 1915 1 3 . 1 1 850 850 LEU CB C 850 40.963 40.963 40.978 -0.015 19955 1916 1 3 . 1 1 850 850 LEU H H 850 7.846 7.846 8.467 -0.621 19955 1917 1 3 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.480 -0.151 19955 1918 1 3 . 1 1 852 852 PRO C C 852 176.580 176.580 176.334 0.246 19955 1919 1 3 . 1 1 852 852 PRO CA C 852 62.903 62.903 62.741 0.162 19955 1920 1 3 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.777 -1.012 19955 1921 1 3 . 1 1 853 853 ALA N N 853 124.102 124.102 124.806 -0.704 19955 1922 1 3 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.471 -0.231 19955 1923 1 3 . 1 1 853 853 ALA C C 853 177.767 177.767 177.883 -0.116 19955 1924 1 3 . 1 1 853 853 ALA CA C 853 52.258 52.258 52.043 0.215 19955 1925 1 3 . 1 1 853 853 ALA CB C 853 19.516 19.516 19.625 -0.109 19955 1926 1 3 . 1 1 853 853 ALA H H 853 8.354 8.354 8.215 0.139 19955 1927 1 3 . 1 1 854 854 GLU N N 854 120.540 120.540 120.054 0.486 19955 1928 1 3 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.346 -0.143 19955 1929 1 3 . 1 1 854 854 GLU C C 854 176.402 176.402 175.648 0.754 19955 1930 1 3 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.314 0.066 19955 1931 1 3 . 1 1 854 854 GLU CB C 854 30.432 30.432 30.331 0.101 19955 1932 1 3 . 1 1 854 854 GLU H H 854 8.348 8.348 8.150 0.198 19955 1933 1 3 . 1 1 855 855 LYS N N 855 122.717 122.717 122.607 0.110 19955 1934 1 3 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.515 -0.300 19955 1935 1 3 . 1 1 855 855 LYS C C 855 176.078 176.078 175.386 0.692 19955 1936 1 3 . 1 1 855 855 LYS CA C 855 56.018 56.018 56.159 -0.141 19955 1937 1 3 . 1 1 855 855 LYS CB C 855 33.187 33.187 33.078 0.109 19955 1938 1 3 . 1 1 855 855 LYS H H 855 8.305 8.305 8.549 -0.244 19955 1939 1 3 . 1 1 856 856 ALA N N 856 125.584 125.584 128.847 -3.263 19955 1940 1 3 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.552 -0.311 19955 1941 1 3 . 1 1 856 856 ALA C C 856 177.276 177.276 176.483 0.793 19955 1942 1 3 . 1 1 856 856 ALA CA C 856 52.046 52.046 52.227 -0.181 19955 1943 1 3 . 1 1 856 856 ALA CB C 856 19.294 19.294 19.384 -0.090 19955 1944 1 3 . 1 1 856 856 ALA H H 856 8.219 8.219 8.611 -0.392 19955 1945 1 3 . 1 1 857 857 GLN N N 857 121.223 121.223 120.341 0.882 19955 1946 1 3 . 1 1 857 857 GLN C C 857 173.964 173.964 173.527 0.437 19955 1947 1 3 . 1 1 857 857 GLN CA C 857 53.490 53.490 53.783 -0.293 19955 1948 1 3 . 1 1 857 857 GLN CB C 857 29.040 29.040 28.907 0.134 19955 1949 1 3 . 1 1 857 857 GLN H H 857 8.333 8.333 8.249 0.084 19955 1950 1 3 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.474 -0.136 19955 1951 1 3 . 1 1 858 858 PRO C C 858 176.696 176.696 176.144 0.552 19955 1952 1 3 . 1 1 858 858 PRO CA C 858 62.910 62.910 62.975 -0.065 19955 1953 1 3 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.212 -0.137 19955 1954 1 3 . 1 1 859 859 LYS N N 859 121.891 121.891 121.325 0.566 19955 1955 1 3 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.562 -0.372 19955 1956 1 3 . 1 1 859 859 LYS C C 859 176.382 176.382 175.630 0.752 19955 1957 1 3 . 1 1 859 859 LYS CA C 859 56.130 56.130 55.621 0.509 19955 1958 1 3 . 1 1 859 859 LYS CB C 859 33.070 33.070 34.256 -1.186 19955 1959 1 3 . 1 1 859 859 LYS H H 859 8.355 8.355 8.281 0.074 19955 1960 1 3 . 1 1 860 860 LYS N N 860 123.002 123.002 123.108 -0.106 19955 1961 1 3 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.463 -0.218 19955 1962 1 3 . 1 1 860 860 LYS C C 860 176.131 176.131 175.241 0.890 19955 1963 1 3 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.197 -0.345 19955 1964 1 3 . 1 1 860 860 LYS CB C 860 33.148 33.148 33.703 -0.555 19955 1965 1 3 . 1 1 860 860 LYS H H 860 8.267 8.267 8.395 -0.128 19955 1966 1 3 . 1 1 861 861 LEU N N 861 124.576 124.576 123.912 0.664 19955 1967 1 3 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.728 -0.372 19955 1968 1 3 . 1 1 861 861 LEU C C 861 177.069 177.069 176.813 0.256 19955 1969 1 3 . 1 1 861 861 LEU CA C 861 54.795 54.795 55.208 -0.413 19955 1970 1 3 . 1 1 861 861 LEU CB C 861 42.350 42.350 43.083 -0.733 19955 1971 1 3 . 1 1 861 861 LEU H H 861 8.316 8.316 8.534 -0.218 19955 1972 1 3 . 1 1 862 862 THR N N 862 117.878 117.878 117.697 0.181 19955 1973 1 3 . 1 1 862 862 THR HA H 862 4.729 4.729 4.643 0.086 19955 1974 1 3 . 1 1 862 862 THR C C 862 172.639 172.639 172.420 0.219 19955 1975 1 3 . 1 1 862 862 THR CA C 862 59.644 59.644 59.576 0.068 19955 1976 1 3 . 1 1 862 862 THR CB C 862 69.476 69.476 69.734 -0.258 19955 1977 1 3 . 1 1 862 862 THR H H 862 8.162 8.162 8.260 -0.098 19955 1978 1 3 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.608 -0.240 19955 1979 1 3 . 1 1 863 863 PRO C C 863 176.753 176.753 176.848 -0.095 19955 1980 1 3 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.566 0.626 19955 1981 1 3 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.439 -0.381 19955 1982 1 3 . 1 1 864 864 VAL N N 864 120.359 120.359 120.272 0.087 19955 1983 1 3 . 1 1 864 864 VAL HA H 864 3.985 3.985 3.866 0.119 19955 1984 1 3 . 1 1 864 864 VAL C C 864 175.964 175.964 176.577 -0.613 19955 1985 1 3 . 1 1 864 864 VAL CA C 864 62.342 62.342 63.748 -1.407 19955 1986 1 3 . 1 1 864 864 VAL CB C 864 32.521 32.521 31.844 0.677 19955 1987 1 3 . 1 1 864 864 VAL H H 864 8.102 8.102 8.321 -0.219 19955 1988 1 3 . 1 1 865 865 GLN N N 865 124.642 124.642 118.671 5.971 19955 1989 1 3 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.398 -0.112 19955 1990 1 3 . 1 1 865 865 GLN C C 865 175.443 175.443 175.263 0.180 19955 1991 1 3 . 1 1 865 865 GLN CA C 865 55.595 55.595 55.157 0.438 19955 1992 1 3 . 1 1 865 865 GLN CB C 865 29.739 29.739 29.189 0.550 19955 1993 1 3 . 1 1 865 865 GLN H H 865 8.333 8.333 8.053 0.280 19955 1994 1 3 . 1 1 866 866 VAL N N 866 123.436 123.436 120.966 2.470 19955 1995 1 3 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.263 -0.294 19955 1996 1 3 . 1 1 866 866 VAL C C 866 175.685 175.685 175.850 -0.165 19955 1997 1 3 . 1 1 866 866 VAL CA C 866 62.398 62.398 61.605 0.792 19955 1998 1 3 . 1 1 866 866 VAL CB C 866 32.832 32.832 32.322 0.510 19955 1999 1 3 . 1 1 866 866 VAL H H 866 8.189 8.189 8.292 -0.103 19955 2000 1 3 . 1 1 867 867 LEU N N 867 127.515 127.515 127.333 0.182 19955 2001 1 3 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.694 -0.432 19955 2002 1 3 . 1 1 867 867 LEU C C 867 177.037 177.037 175.878 1.159 19955 2003 1 3 . 1 1 867 867 LEU CA C 867 55.688 55.688 53.997 1.691 19955 2004 1 3 . 1 1 867 867 LEU CB C 867 42.552 42.552 41.747 0.805 19955 2005 1 3 . 1 1 867 867 LEU H H 867 8.679 8.679 8.396 0.283 19955 2006 1 3 . 1 1 868 868 GLU N N 868 120.794 120.794 123.894 -3.100 19955 2007 1 3 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.501 -0.282 19955 2008 1 3 . 1 1 868 868 GLU C C 868 175.353 175.353 174.796 0.557 19955 2009 1 3 . 1 1 868 868 GLU CA C 868 55.753 55.753 55.989 -0.236 19955 2010 1 3 . 1 1 868 868 GLU CB C 868 31.419 31.419 32.744 -1.325 19955 2011 1 3 . 1 1 868 868 GLU H H 868 8.272 8.272 8.236 0.036 19955 2012 1 3 . 1 1 869 869 TYR N N 869 121.165 121.165 121.518 -0.353 19955 2013 1 3 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.747 -0.047 19955 2014 1 3 . 1 1 869 869 TYR C C 869 176.824 176.824 176.712 0.112 19955 2015 1 3 . 1 1 869 869 TYR CA C 869 56.809 56.809 57.375 -0.566 19955 2016 1 3 . 1 1 869 869 TYR CB C 869 38.650 38.650 40.164 -1.514 19955 2017 1 3 . 1 1 869 869 TYR H H 869 8.003 8.003 8.488 -0.485 19955 2018 1 3 . 1 1 870 870 GLY N N 870 104.958 104.958 110.622 -5.664 19955 2019 1 3 . 1 1 870 870 GLY C C 870 173.846 173.846 172.934 0.912 19955 2020 1 3 . 1 1 870 870 GLY CA C 870 44.219 44.219 45.090 -0.871 19955 2021 1 3 . 1 1 870 870 GLY H H 870 8.590 8.590 8.932 -0.342 19955 2022 1 3 . 1 1 871 871 GLU N N 871 122.341 122.341 120.415 1.926 19955 2023 1 3 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.405 -0.183 19955 2024 1 3 . 1 1 871 871 GLU C C 871 173.827 173.827 174.788 -0.961 19955 2025 1 3 . 1 1 871 871 GLU CA C 871 55.859 55.859 55.068 0.791 19955 2026 1 3 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.331 0.603 19955 2027 1 3 . 1 1 871 871 GLU H H 871 9.246 9.246 8.300 0.946 19955 2028 1 3 . 1 1 872 872 ALA N N 872 126.709 126.709 123.179 3.530 19955 2029 1 3 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.196 -0.092 19955 2030 1 3 . 1 1 872 872 ALA C C 872 174.022 174.022 174.813 -0.791 19955 2031 1 3 . 1 1 872 872 ALA CA C 872 50.135 50.135 51.125 -0.990 19955 2032 1 3 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.856 1.642 19955 2033 1 3 . 1 1 872 872 ALA H H 872 9.266 9.266 8.533 0.733 19955 2034 1 3 . 1 1 873 873 ILE N N 873 118.554 118.554 121.162 -2.608 19955 2035 1 3 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.909 -0.295 19955 2036 1 3 . 1 1 873 873 ILE C C 873 176.132 176.132 175.713 0.419 19955 2037 1 3 . 1 1 873 873 ILE CA C 873 58.788 58.788 57.603 1.185 19955 2038 1 3 . 1 1 873 873 ILE CB C 873 40.630 40.630 39.896 0.734 19955 2039 1 3 . 1 1 873 873 ILE H H 873 8.522 8.522 8.202 0.320 19955 2040 1 3 . 1 1 874 874 ALA N N 874 129.739 129.739 131.556 -1.817 19955 2041 1 3 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.066 -0.029 19955 2042 1 3 . 1 1 874 874 ALA C C 874 178.259 178.259 177.418 0.841 19955 2043 1 3 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.387 0.950 19955 2044 1 3 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.047 2.231 19955 2045 1 3 . 1 1 874 874 ALA H H 874 8.608 8.608 8.094 0.514 19955 2046 1 3 . 1 1 875 875 LYS N N 875 127.308 127.308 125.016 2.292 19955 2047 1 3 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.829 0.195 19955 2048 1 3 . 1 1 875 875 LYS C C 875 174.098 174.098 176.301 -2.203 19955 2049 1 3 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.384 -1.285 19955 2050 1 3 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.579 1.405 19955 2051 1 3 . 1 1 875 875 LYS H H 875 9.298 9.298 8.137 1.161 19955 2052 1 3 . 1 1 876 876 PHE N N 876 113.423 113.423 116.668 -3.245 19955 2053 1 3 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.592 0.319 19955 2054 1 3 . 1 1 876 876 PHE C C 876 174.050 174.050 175.007 -0.957 19955 2055 1 3 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.435 -2.590 19955 2056 1 3 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.745 1.997 19955 2057 1 3 . 1 1 876 876 PHE H H 876 7.328 7.328 7.360 -0.032 19955 2058 1 3 . 1 1 877 877 ASN N N 877 116.437 116.437 119.928 -3.491 19955 2059 1 3 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.647 0.142 19955 2060 1 3 . 1 1 877 877 ASN C C 877 174.454 174.454 174.206 0.248 19955 2061 1 3 . 1 1 877 877 ASN CA C 877 53.535 53.535 53.765 -0.230 19955 2062 1 3 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.860 -0.653 19955 2063 1 3 . 1 1 877 877 ASN H H 877 8.666 8.666 8.640 0.026 19955 2064 1 3 . 1 1 878 878 PHE N N 878 123.179 123.179 123.597 -0.418 19955 2065 1 3 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.688 -0.023 19955 2066 1 3 . 1 1 878 878 PHE C C 878 173.027 173.027 172.690 0.337 19955 2067 1 3 . 1 1 878 878 PHE CA C 878 56.104 56.104 57.168 -1.064 19955 2068 1 3 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.907 -0.821 19955 2069 1 3 . 1 1 878 878 PHE H H 878 8.433 8.433 9.200 -0.767 19955 2070 1 3 . 1 1 879 879 ASN N N 879 127.113 127.113 123.402 3.711 19955 2071 1 3 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.479 0.083 19955 2072 1 3 . 1 1 879 879 ASN C C 879 173.174 173.174 173.344 -0.170 19955 2073 1 3 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.129 -0.199 19955 2074 1 3 . 1 1 879 879 ASN CB C 879 39.387 39.387 40.573 -1.186 19955 2075 1 3 . 1 1 879 879 ASN H H 879 8.000 8.000 7.701 0.299 19955 2076 1 3 . 1 1 880 880 GLY N N 880 110.949 110.949 108.930 2.019 19955 2077 1 3 . 1 1 880 880 GLY C C 880 173.383 173.383 175.169 -1.786 19955 2078 1 3 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.278 1.380 19955 2079 1 3 . 1 1 880 880 GLY H H 880 7.997 7.997 8.094 -0.097 19955 2080 1 3 . 1 1 881 881 ASP N N 881 122.408 122.408 121.033 1.375 19955 2081 1 3 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.658 -0.025 19955 2082 1 3 . 1 1 881 881 ASP C C 881 176.286 176.286 176.626 -0.340 19955 2083 1 3 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.907 0.289 19955 2084 1 3 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.126 2.014 19955 2085 1 3 . 1 1 881 881 ASP H H 881 8.796 8.796 8.570 0.226 19955 2086 1 3 . 1 1 882 882 THR N N 882 108.354 108.354 109.804 -1.450 19955 2087 1 3 . 1 1 882 882 THR HA H 882 4.583 4.583 4.572 0.011 19955 2088 1 3 . 1 1 882 882 THR C C 882 175.948 175.948 174.629 1.319 19955 2089 1 3 . 1 1 882 882 THR CA C 882 60.352 60.352 59.492 0.860 19955 2090 1 3 . 1 1 882 882 THR CB C 882 71.649 71.649 72.428 -0.779 19955 2091 1 3 . 1 1 882 882 THR H H 882 7.541 7.541 7.456 0.085 19955 2092 1 3 . 1 1 883 883 GLN N N 883 118.622 118.622 120.791 -2.169 19955 2093 1 3 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.072 0.080 19955 2094 1 3 . 1 1 883 883 GLN C C 883 176.478 176.478 178.213 -1.735 19955 2095 1 3 . 1 1 883 883 GLN CA C 883 58.196 58.196 59.220 -1.024 19955 2096 1 3 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.157 0.512 19955 2097 1 3 . 1 1 883 883 GLN H H 883 8.710 8.710 8.844 -0.134 19955 2098 1 3 . 1 1 884 884 VAL N N 884 111.473 111.473 117.660 -6.187 19955 2099 1 3 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.830 0.377 19955 2100 1 3 . 1 1 884 884 VAL C C 884 176.430 176.430 176.857 -0.427 19955 2101 1 3 . 1 1 884 884 VAL CA C 884 62.293 62.293 64.675 -2.382 19955 2102 1 3 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.702 0.222 19955 2103 1 3 . 1 1 884 884 VAL H H 884 7.260 7.260 8.062 -0.802 19955 2104 1 3 . 1 1 885 885 GLU N N 885 121.794 121.794 117.243 4.551 19955 2105 1 3 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.541 0.367 19955 2106 1 3 . 1 1 885 885 GLU C C 885 175.369 175.369 175.364 0.005 19955 2107 1 3 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.904 -0.594 19955 2108 1 3 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.123 1.666 19955 2109 1 3 . 1 1 885 885 GLU H H 885 7.455 7.455 7.687 -0.232 19955 2110 1 3 . 1 1 886 886 MET N N 886 125.473 125.473 122.469 3.004 19955 2111 1 3 . 1 1 886 886 MET HA H 886 4.534 4.534 4.816 -0.281 19955 2112 1 3 . 1 1 886 886 MET C C 886 172.841 172.841 174.804 -1.963 19955 2113 1 3 . 1 1 886 886 MET CA C 886 54.129 54.129 55.310 -1.181 19955 2114 1 3 . 1 1 886 886 MET CB C 886 35.157 35.157 34.853 0.304 19955 2115 1 3 . 1 1 886 886 MET H H 886 8.996 8.996 8.191 0.805 19955 2116 1 3 . 1 1 887 887 SER N N 887 118.425 118.425 117.561 0.864 19955 2117 1 3 . 1 1 887 887 SER HA H 887 4.402 4.402 4.398 0.004 19955 2118 1 3 . 1 1 887 887 SER C C 887 174.667 174.667 173.706 0.961 19955 2119 1 3 . 1 1 887 887 SER CA C 887 58.612 58.612 56.984 1.628 19955 2120 1 3 . 1 1 887 887 SER CB C 887 64.186 64.186 64.349 -0.163 19955 2121 1 3 . 1 1 887 887 SER H H 887 7.888 7.888 8.350 -0.462 19955 2122 1 3 . 1 1 888 888 PHE N N 888 116.363 116.363 123.473 -7.110 19955 2123 1 3 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.955 -0.441 19955 2124 1 3 . 1 1 888 888 PHE C C 888 174.756 174.756 173.091 1.665 19955 2125 1 3 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.495 0.041 19955 2126 1 3 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.672 -0.870 19955 2127 1 3 . 1 1 888 888 PHE H H 888 8.780 8.780 8.485 0.295 19955 2128 1 3 . 1 1 889 889 ARG N N 889 121.944 121.944 119.521 2.423 19955 2129 1 3 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.698 0.274 19955 2130 1 3 . 1 1 889 889 ARG C C 889 175.318 175.318 175.633 -0.315 19955 2131 1 3 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.265 -0.967 19955 2132 1 3 . 1 1 889 889 ARG CB C 889 32.886 32.886 32.803 0.083 19955 2133 1 3 . 1 1 889 889 ARG H H 889 10.187 10.187 8.768 1.419 19955 2134 1 3 . 1 1 890 890 LYS N N 890 119.991 119.991 121.075 -1.084 19955 2135 1 3 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.906 -0.658 19955 2136 1 3 . 1 1 890 890 LYS C C 890 176.504 176.504 177.959 -1.455 19955 2137 1 3 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.246 0.150 19955 2138 1 3 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.303 0.526 19955 2139 1 3 . 1 1 890 890 LYS H H 890 8.360 8.360 8.394 -0.034 19955 2140 1 3 . 1 1 891 891 GLY N N 891 113.950 113.950 114.915 -0.965 19955 2141 1 3 . 1 1 891 891 GLY C C 891 174.298 174.298 174.311 -0.013 19955 2142 1 3 . 1 1 891 891 GLY CA C 891 44.668 44.668 45.011 -0.343 19955 2143 1 3 . 1 1 891 891 GLY H H 891 8.673 8.673 8.683 -0.010 19955 2144 1 3 . 1 1 892 892 GLU N N 892 119.511 119.511 121.149 -1.638 19955 2145 1 3 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.378 -0.262 19955 2146 1 3 . 1 1 892 892 GLU C C 892 174.618 174.618 175.422 -0.804 19955 2147 1 3 . 1 1 892 892 GLU CA C 892 59.515 59.515 55.687 3.828 19955 2148 1 3 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.871 -0.290 19955 2149 1 3 . 1 1 892 892 GLU H H 892 7.856 7.856 7.799 0.057 19955 2150 1 3 . 1 1 893 893 ARG N N 893 122.979 122.979 122.713 0.266 19955 2151 1 3 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.825 -0.228 19955 2152 1 3 . 1 1 893 893 ARG C C 893 174.836 174.836 175.697 -0.861 19955 2153 1 3 . 1 1 893 893 ARG CA C 893 55.528 55.528 55.843 -0.315 19955 2154 1 3 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.384 -0.344 19955 2155 1 3 . 1 1 893 893 ARG H H 893 8.120 8.120 8.508 -0.388 19955 2156 1 3 . 1 1 894 894 ILE N N 894 122.659 122.659 126.823 -4.164 19955 2157 1 3 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.379 -0.316 19955 2158 1 3 . 1 1 894 894 ILE C C 894 175.789 175.789 174.814 0.975 19955 2159 1 3 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.203 0.063 19955 2160 1 3 . 1 1 894 894 ILE CB C 894 43.427 43.427 41.264 2.163 19955 2161 1 3 . 1 1 894 894 ILE H H 894 8.586 8.586 9.032 -0.446 19955 2162 1 3 . 1 1 895 895 THR N N 895 124.709 124.709 121.740 2.969 19955 2163 1 3 . 1 1 895 895 THR HA H 895 4.441 4.441 4.837 -0.396 19955 2164 1 3 . 1 1 895 895 THR C C 895 174.124 174.124 174.294 -0.170 19955 2165 1 3 . 1 1 895 895 THR CA C 895 62.837 62.837 61.810 1.027 19955 2166 1 3 . 1 1 895 895 THR CB C 895 69.246 69.246 69.480 -0.234 19955 2167 1 3 . 1 1 895 895 THR H H 895 9.078 9.078 8.803 0.275 19955 2168 1 3 . 1 1 896 896 LEU N N 896 122.648 122.648 128.054 -5.406 19955 2169 1 3 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.787 -0.398 19955 2170 1 3 . 1 1 896 896 LEU C C 896 174.836 174.836 176.446 -1.610 19955 2171 1 3 . 1 1 896 896 LEU H H 896 8.583 8.583 8.748 -0.165 19955 2172 1 3 . 1 1 897 897 LEU N N 897 124.502 124.502 124.701 -0.199 19955 2173 1 3 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.631 -0.299 19955 2174 1 3 . 1 1 897 897 LEU C C 897 176.645 176.645 177.288 -0.643 19955 2175 1 3 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.900 0.326 19955 2176 1 3 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.536 -1.205 19955 2177 1 3 . 1 1 897 897 LEU H H 897 8.984 8.984 8.868 0.116 19955 2178 1 3 . 1 1 898 898 ARG N N 898 108.422 108.422 116.608 -8.186 19955 2179 1 3 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.500 -0.058 19955 2180 1 3 . 1 1 898 898 ARG C C 898 173.645 173.645 173.716 -0.071 19955 2181 1 3 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.067 0.174 19955 2182 1 3 . 1 1 898 898 ARG CB C 898 31.609 31.609 33.116 -1.507 19955 2183 1 3 . 1 1 898 898 ARG H H 898 7.413 7.413 7.562 -0.149 19955 2184 1 3 . 1 1 899 899 GLN N N 899 124.503 124.503 122.103 2.400 19955 2185 1 3 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.072 0.120 19955 2186 1 3 . 1 1 899 899 GLN C C 899 175.142 175.142 175.942 -0.800 19955 2187 1 3 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.183 1.113 19955 2188 1 3 . 1 1 899 899 GLN CB C 899 28.489 28.489 28.497 -0.008 19955 2189 1 3 . 1 1 899 899 GLN H H 899 9.301 9.301 8.588 0.713 19955 2190 1 3 . 1 1 900 900 VAL N N 900 129.109 129.109 124.967 4.142 19955 2191 1 3 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.800 -0.134 19955 2192 1 3 . 1 1 900 900 VAL C C 900 175.298 175.298 176.364 -1.066 19955 2193 1 3 . 1 1 900 900 VAL CA C 900 64.773 64.773 64.341 0.432 19955 2194 1 3 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.226 0.595 19955 2195 1 3 . 1 1 900 900 VAL H H 900 8.475 8.475 8.571 -0.096 19955 2196 1 3 . 1 1 901 901 ASP N N 901 118.573 118.573 116.020 2.553 19955 2197 1 3 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.835 -0.439 19955 2198 1 3 . 1 1 901 901 ASP C C 901 175.386 175.386 175.262 0.124 19955 2199 1 3 . 1 1 901 901 ASP CA C 901 53.300 53.300 52.568 0.732 19955 2200 1 3 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.718 -2.555 19955 2201 1 3 . 1 1 901 901 ASP H H 901 8.038 8.038 7.604 0.434 19955 2202 1 3 . 1 1 902 902 GLU N N 902 114.492 114.492 118.659 -4.167 19955 2203 1 3 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.189 -0.357 19955 2204 1 3 . 1 1 902 902 GLU C C 902 175.973 175.973 176.915 -0.942 19955 2205 1 3 . 1 1 902 902 GLU CA C 902 59.095 59.095 58.889 0.206 19955 2206 1 3 . 1 1 902 902 GLU CB C 902 29.507 29.507 30.132 -0.625 19955 2207 1 3 . 1 1 902 902 GLU H H 902 8.784 8.784 8.545 0.239 19955 2208 1 3 . 1 1 903 903 ASN N N 903 113.835 113.835 115.281 -1.446 19955 2209 1 3 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.879 -0.015 19955 2210 1 3 . 1 1 903 903 ASN C C 903 175.238 175.238 173.909 1.329 19955 2211 1 3 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.781 1.019 19955 2212 1 3 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.346 2.864 19955 2213 1 3 . 1 1 903 903 ASN H H 903 8.763 8.763 8.408 0.355 19955 2214 1 3 . 1 1 904 904 TRP N N 904 121.517 121.517 118.558 2.959 19955 2215 1 3 . 1 1 904 904 TRP HA H 904 4.950 4.950 4.817 0.133 19955 2216 1 3 . 1 1 904 904 TRP C C 904 175.223 175.223 175.952 -0.729 19955 2217 1 3 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.614 0.565 19955 2218 1 3 . 1 1 904 904 TRP CB C 904 31.286 31.286 31.727 -0.441 19955 2219 1 3 . 1 1 904 904 TRP H H 904 8.141 8.141 7.739 0.402 19955 2220 1 3 . 1 1 905 905 TYR N N 905 121.365 121.365 119.957 1.408 19955 2221 1 3 . 1 1 905 905 TYR HA H 905 4.916 4.916 4.653 0.263 19955 2222 1 3 . 1 1 905 905 TYR C C 905 173.702 173.702 173.338 0.364 19955 2223 1 3 . 1 1 905 905 TYR CA C 905 56.460 56.460 57.217 -0.757 19955 2224 1 3 . 1 1 905 905 TYR CB C 905 43.401 43.401 43.170 0.231 19955 2225 1 3 . 1 1 905 905 TYR H H 905 8.550 8.550 8.531 0.019 19955 2226 1 3 . 1 1 906 906 GLU N N 906 117.356 117.356 123.547 -6.191 19955 2227 1 3 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.961 -0.076 19955 2228 1 3 . 1 1 906 906 GLU C C 906 176.159 176.159 175.146 1.013 19955 2229 1 3 . 1 1 906 906 GLU CA C 906 54.795 54.795 54.231 0.564 19955 2230 1 3 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.360 -0.770 19955 2231 1 3 . 1 1 906 906 GLU H H 906 8.707 8.707 8.851 -0.144 19955 2232 1 3 . 1 1 907 907 GLY N N 907 114.506 114.506 112.172 2.334 19955 2233 1 3 . 1 1 907 907 GLY C C 907 169.408 169.408 171.856 -2.448 19955 2234 1 3 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.447 0.287 19955 2235 1 3 . 1 1 907 907 GLY H H 907 9.334 9.334 8.814 0.520 19955 2236 1 3 . 1 1 908 908 ARG N N 908 114.660 114.660 116.875 -2.215 19955 2237 1 3 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.374 0.003 19955 2238 1 3 . 1 1 908 908 ARG C C 908 173.981 173.981 174.640 -0.659 19955 2239 1 3 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.408 -0.131 19955 2240 1 3 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.149 0.440 19955 2241 1 3 . 1 1 908 908 ARG H H 908 8.694 8.694 8.772 -0.078 19955 2242 1 3 . 1 1 909 909 ILE N N 909 124.579 124.579 121.807 2.772 19955 2243 1 3 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.709 0.210 19955 2244 1 3 . 1 1 909 909 ILE C C 909 175.024 175.024 174.555 0.469 19955 2245 1 3 . 1 1 909 909 ILE CA C 909 56.699 56.699 58.466 -1.767 19955 2246 1 3 . 1 1 909 909 ILE CB C 909 35.387 35.387 38.978 -3.591 19955 2247 1 3 . 1 1 909 909 ILE H H 909 7.757 7.757 8.099 -0.342 19955 2248 1 3 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.214 0.415 19955 2249 1 3 . 1 1 910 910 PRO C C 910 176.353 176.353 177.441 -1.088 19955 2250 1 3 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.346 -11.548 19955 2251 1 3 . 1 1 910 910 PRO CB C 910 30.408 30.408 32.064 -1.656 19955 2252 1 3 . 1 1 911 911 GLY N N 911 118.118 118.118 109.498 8.620 19955 2253 1 3 . 1 1 911 911 GLY C C 911 173.987 173.987 174.365 -0.378 19955 2254 1 3 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.209 0.123 19955 2255 1 3 . 1 1 911 911 GLY H H 911 7.869 7.869 8.571 -0.702 19955 2256 1 3 . 1 1 912 912 THR N N 912 109.041 109.041 112.788 -3.747 19955 2257 1 3 . 1 1 912 912 THR HA H 912 4.469 4.469 3.797 0.672 19955 2258 1 3 . 1 1 912 912 THR C C 912 174.144 174.144 174.495 -0.351 19955 2259 1 3 . 1 1 912 912 THR CA C 912 60.194 60.194 62.914 -2.720 19955 2260 1 3 . 1 1 912 912 THR CB C 912 72.812 72.812 67.417 5.395 19955 2261 1 3 . 1 1 912 912 THR H H 912 7.743 7.743 8.036 -0.293 19955 2262 1 3 . 1 1 913 913 SER N N 913 126.292 126.292 115.753 10.539 19955 2263 1 3 . 1 1 913 913 SER HA H 913 4.671 4.671 4.205 0.466 19955 2264 1 3 . 1 1 913 913 SER C C 913 174.781 174.781 174.568 0.213 19955 2265 1 3 . 1 1 913 913 SER CA C 913 57.411 57.411 61.017 -3.606 19955 2266 1 3 . 1 1 913 913 SER CB C 913 63.258 63.258 63.821 -0.563 19955 2267 1 3 . 1 1 913 913 SER H H 913 7.896 7.896 8.088 -0.192 19955 2268 1 3 . 1 1 914 914 ARG N N 914 124.284 124.284 118.311 5.973 19955 2269 1 3 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.494 -0.241 19955 2270 1 3 . 1 1 914 914 ARG C C 914 174.712 174.712 173.314 1.398 19955 2271 1 3 . 1 1 914 914 ARG CA C 914 56.960 56.960 56.181 0.779 19955 2272 1 3 . 1 1 914 914 ARG CB C 914 30.694 30.694 32.578 -1.885 19955 2273 1 3 . 1 1 914 914 ARG H H 914 8.631 8.631 7.723 0.908 19955 2274 1 3 . 1 1 915 915 GLN N N 915 124.297 124.297 124.961 -0.664 19955 2275 1 3 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.269 0.112 19955 2276 1 3 . 1 1 915 915 GLN C C 915 174.377 174.377 174.260 0.117 19955 2277 1 3 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.602 0.964 19955 2278 1 3 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.678 -1.672 19955 2279 1 3 . 1 1 915 915 GLN H H 915 8.054 8.054 8.739 -0.685 19955 2280 1 3 . 1 1 916 916 GLY N N 916 112.028 112.028 111.491 0.537 19955 2281 1 3 . 1 1 916 916 GLY C C 916 172.185 172.185 172.115 0.070 19955 2282 1 3 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.901 -0.654 19955 2283 1 3 . 1 1 916 916 GLY H H 916 8.818 8.818 8.656 0.162 19955 2284 1 3 . 1 1 917 917 ILE N N 917 113.634 113.634 116.144 -2.510 19955 2285 1 3 . 1 1 917 917 ILE HA H 917 6.028 6.028 5.448 0.580 19955 2286 1 3 . 1 1 917 917 ILE C C 917 176.584 176.584 174.478 2.106 19955 2287 1 3 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.717 1.262 19955 2288 1 3 . 1 1 917 917 ILE CB C 917 41.225 41.225 41.454 -0.229 19955 2289 1 3 . 1 1 917 917 ILE H H 917 8.714 8.714 7.951 0.763 19955 2290 1 3 . 1 1 918 918 PHE N N 918 115.806 115.806 116.797 -0.991 19955 2291 1 3 . 1 1 918 918 PHE C C 918 170.959 170.959 172.742 -1.783 19955 2292 1 3 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.039 0.580 19955 2293 1 3 . 1 1 918 918 PHE CB C 918 38.622 38.622 40.422 -1.800 19955 2294 1 3 . 1 1 918 918 PHE H H 918 8.573 8.573 8.125 0.448 19955 2295 1 3 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.339 -0.239 19955 2296 1 3 . 1 1 919 919 PRO C C 919 178.655 178.655 177.451 1.204 19955 2297 1 3 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.913 -0.915 19955 2298 1 3 . 1 1 919 919 PRO CB C 919 31.210 31.210 32.276 -1.065 19955 2299 1 3 . 1 1 920 920 ILE N N 920 123.677 123.677 122.998 0.679 19955 2300 1 3 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.624 0.067 19955 2301 1 3 . 1 1 920 920 ILE C C 920 176.798 176.798 178.084 -1.286 19955 2302 1 3 . 1 1 920 920 ILE CA C 920 63.373 63.373 64.913 -1.540 19955 2303 1 3 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.673 1.178 19955 2304 1 3 . 1 1 920 920 ILE H H 920 7.949 7.949 8.743 -0.794 19955 2305 1 3 . 1 1 921 921 THR N N 921 106.993 106.993 116.349 -9.356 19955 2306 1 3 . 1 1 921 921 THR HA H 921 4.294 4.294 4.032 0.263 19955 2307 1 3 . 1 1 921 921 THR C C 921 175.639 175.639 176.042 -0.403 19955 2308 1 3 . 1 1 921 921 THR CA C 921 62.983 62.983 66.872 -3.889 19955 2309 1 3 . 1 1 921 921 THR CB C 921 69.104 69.104 68.806 0.298 19955 2310 1 3 . 1 1 921 921 THR H H 921 7.500 7.500 8.106 -0.606 19955 2311 1 3 . 1 1 922 922 TYR N N 922 118.600 118.600 118.446 0.154 19955 2312 1 3 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.702 -0.062 19955 2313 1 3 . 1 1 922 922 TYR C C 922 175.481 175.481 175.182 0.299 19955 2314 1 3 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.563 1.885 19955 2315 1 3 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.182 0.418 19955 2316 1 3 . 1 1 922 922 TYR H H 922 7.836 7.836 7.856 -0.020 19955 2317 1 3 . 1 1 923 923 VAL N N 923 109.058 109.058 113.125 -4.067 19955 2318 1 3 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.625 0.334 19955 2319 1 3 . 1 1 923 923 VAL C C 923 172.905 172.905 174.217 -1.312 19955 2320 1 3 . 1 1 923 923 VAL CA C 923 58.490 58.490 58.773 -0.283 19955 2321 1 3 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.198 0.089 19955 2322 1 3 . 1 1 923 923 VAL H H 923 7.701 7.701 7.537 0.164 19955 2323 1 3 . 1 1 924 924 ASP N N 924 120.115 120.115 121.585 -1.470 19955 2324 1 3 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.789 0.145 19955 2325 1 3 . 1 1 924 924 ASP C C 924 175.863 175.863 174.826 1.037 19955 2326 1 3 . 1 1 924 924 ASP CA C 924 52.934 52.934 52.123 0.811 19955 2327 1 3 . 1 1 924 924 ASP CB C 924 42.263 42.263 43.264 -1.001 19955 2328 1 3 . 1 1 924 924 ASP H H 924 8.658 8.658 8.318 0.340 19955 2329 1 3 . 1 1 925 925 VAL N N 925 125.090 125.090 126.643 -1.553 19955 2330 1 3 . 1 1 925 925 VAL HA H 925 3.679 3.679 4.101 -0.422 19955 2331 1 3 . 1 1 925 925 VAL C C 925 175.620 175.620 175.921 -0.301 19955 2332 1 3 . 1 1 925 925 VAL CA C 925 64.215 64.215 61.419 2.796 19955 2333 1 3 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.581 0.140 19955 2334 1 3 . 1 1 925 925 VAL H H 925 8.911 8.911 8.444 0.467 19955 2335 1 3 . 1 1 926 926 ILE N N 926 129.390 129.390 128.422 0.968 19955 2336 1 3 . 1 1 926 926 ILE HA H 926 4.037 4.037 3.843 0.194 19955 2337 1 3 . 1 1 926 926 ILE C C 926 175.683 175.683 176.578 -0.895 19955 2338 1 3 . 1 1 926 926 ILE CA C 926 61.578 61.578 62.785 -1.207 19955 2339 1 3 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.383 0.164 19955 2340 1 3 . 1 1 926 926 ILE H H 926 8.519 8.519 8.552 -0.033 19955 2341 1 3 . 1 1 927 927 LYS N N 927 122.060 122.060 118.827 3.233 19955 2342 1 3 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.562 0.050 19955 2343 1 3 . 1 1 927 927 LYS C C 927 175.204 175.204 175.075 0.129 19955 2344 1 3 . 1 1 927 927 LYS CA C 927 55.597 55.597 54.831 0.766 19955 2345 1 3 . 1 1 927 927 LYS CB C 927 35.633 35.633 35.199 0.434 19955 2346 1 3 . 1 1 927 927 LYS H H 927 8.017 8.017 7.537 0.480 19955 2347 1 3 . 1 1 928 928 ARG N N 928 126.441 126.441 122.087 4.354 19955 2348 1 3 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.777 -0.350 19955 2349 1 3 . 1 1 928 928 ARG C C 928 173.959 173.959 174.501 -0.542 19955 2350 1 3 . 1 1 928 928 ARG CA C 928 55.488 55.488 53.950 1.538 19955 2351 1 3 . 1 1 928 928 ARG CB C 928 29.713 29.713 30.411 -0.698 19955 2352 1 3 . 1 1 928 928 ARG H H 928 8.729 8.729 8.455 0.274 19955 2353 1 3 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.503 0.010 19955 2354 1 3 . 1 1 929 929 PRO CA C 929 62.718 62.718 62.627 0.091 19955 2355 1 3 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.093 -0.477 19955 2356 1 4 . 1 1 790 790 MET HA H 790 4.396 4.396 4.357 0.039 19955 2357 1 4 . 1 1 790 790 MET CA C 790 55.378 55.378 55.557 -0.179 19955 2358 1 4 . 1 1 790 790 MET CB C 790 32.960 32.960 33.257 -0.297 19955 2359 1 4 . 1 1 791 791 SER N N 791 118.373 118.373 117.154 1.219 19955 2360 1 4 . 1 1 791 791 SER HA H 791 4.362 4.362 4.521 -0.159 19955 2361 1 4 . 1 1 791 791 SER C C 791 175.043 175.043 175.421 -0.378 19955 2362 1 4 . 1 1 791 791 SER CA C 791 58.532 58.532 58.197 0.335 19955 2363 1 4 . 1 1 791 791 SER CB C 791 63.749 63.749 63.478 0.271 19955 2364 1 4 . 1 1 791 791 SER H H 791 8.657 8.657 8.510 0.147 19955 2365 1 4 . 1 1 792 792 GLY N N 792 111.254 111.254 110.662 0.592 19955 2366 1 4 . 1 1 792 792 GLY C C 792 174.362 174.362 173.940 0.422 19955 2367 1 4 . 1 1 792 792 GLY CA C 792 45.539 45.539 45.201 0.338 19955 2368 1 4 . 1 1 792 792 GLY H H 792 8.560 8.560 7.892 0.668 19955 2369 1 4 . 1 1 793 793 SER N N 793 115.369 115.369 118.133 -2.764 19955 2370 1 4 . 1 1 793 793 SER HA H 793 4.409 4.409 4.280 0.129 19955 2371 1 4 . 1 1 793 793 SER C C 793 174.396 174.396 174.285 0.111 19955 2372 1 4 . 1 1 793 793 SER CA C 793 58.485 58.485 58.791 -0.306 19955 2373 1 4 . 1 1 793 793 SER CB C 793 63.845 63.845 63.653 0.192 19955 2374 1 4 . 1 1 793 793 SER H H 793 8.102 8.102 8.042 0.060 19955 2375 1 4 . 1 1 794 794 GLU N N 794 122.660 122.660 122.516 0.144 19955 2376 1 4 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.423 -0.213 19955 2377 1 4 . 1 1 794 794 GLU C C 794 175.970 175.970 176.312 -0.342 19955 2378 1 4 . 1 1 794 794 GLU CA C 794 56.849 56.849 57.037 -0.188 19955 2379 1 4 . 1 1 794 794 GLU CB C 794 30.261 30.261 30.298 -0.037 19955 2380 1 4 . 1 1 794 794 GLU H H 794 8.565 8.565 8.672 -0.107 19955 2381 1 4 . 1 1 795 795 MET N N 795 119.544 119.544 113.545 5.999 19955 2382 1 4 . 1 1 795 795 MET HA H 795 4.653 4.653 4.919 -0.266 19955 2383 1 4 . 1 1 795 795 MET C C 795 175.590 175.590 174.360 1.230 19955 2384 1 4 . 1 1 795 795 MET CA C 795 55.135 55.135 54.797 0.338 19955 2385 1 4 . 1 1 795 795 MET CB C 795 32.378 32.378 36.149 -3.771 19955 2386 1 4 . 1 1 795 795 MET H H 795 8.156 8.156 7.514 0.642 19955 2387 1 4 . 1 1 796 796 ARG N N 796 122.177 122.177 119.880 2.297 19955 2388 1 4 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.881 0.030 19955 2389 1 4 . 1 1 796 796 ARG C C 796 173.378 173.378 173.671 -0.293 19955 2390 1 4 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.885 -0.949 19955 2391 1 4 . 1 1 796 796 ARG CB C 796 32.172 32.172 31.052 1.120 19955 2392 1 4 . 1 1 796 796 ARG H H 796 8.358 8.358 8.393 -0.035 19955 2393 1 4 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.170 0.526 19955 2394 1 4 . 1 1 797 797 PRO C C 797 175.805 175.805 175.427 0.378 19955 2395 1 4 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.931 -0.774 19955 2396 1 4 . 1 1 797 797 PRO CB C 797 32.377 32.377 31.889 0.488 19955 2397 1 4 . 1 1 798 798 ALA N N 798 123.383 123.383 125.072 -1.689 19955 2398 1 4 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.891 -0.192 19955 2399 1 4 . 1 1 798 798 ALA C C 798 173.534 173.534 174.994 -1.460 19955 2400 1 4 . 1 1 798 798 ALA CA C 798 50.823 50.823 49.996 0.827 19955 2401 1 4 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.460 0.263 19955 2402 1 4 . 1 1 798 798 ALA H H 798 8.820 8.820 8.917 -0.097 19955 2403 1 4 . 1 1 799 799 ARG N N 799 118.968 118.968 121.586 -2.618 19955 2404 1 4 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.932 0.409 19955 2405 1 4 . 1 1 799 799 ARG C C 799 176.215 176.215 174.972 1.243 19955 2406 1 4 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.078 -0.956 19955 2407 1 4 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.968 0.471 19955 2408 1 4 . 1 1 799 799 ARG H H 799 8.803 8.803 7.969 0.834 19955 2409 1 4 . 1 1 800 800 ALA N N 800 128.073 128.073 130.249 -2.176 19955 2410 1 4 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.563 -0.026 19955 2411 1 4 . 1 1 800 800 ALA C C 800 178.146 178.146 177.136 1.010 19955 2412 1 4 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.644 0.564 19955 2413 1 4 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.232 -0.578 19955 2414 1 4 . 1 1 800 800 ALA H H 800 9.037 9.037 8.677 0.360 19955 2415 1 4 . 1 1 801 801 LYS N N 801 127.334 127.334 125.584 1.750 19955 2416 1 4 . 1 1 801 801 LYS HA H 801 3.758 3.758 3.884 -0.126 19955 2417 1 4 . 1 1 801 801 LYS C C 801 174.213 174.213 176.218 -2.005 19955 2418 1 4 . 1 1 801 801 LYS CA C 801 57.344 57.344 58.844 -1.500 19955 2419 1 4 . 1 1 801 801 LYS CB C 801 33.647 33.647 32.948 0.699 19955 2420 1 4 . 1 1 801 801 LYS H H 801 9.291 9.291 8.169 1.122 19955 2421 1 4 . 1 1 802 802 PHE N N 802 111.696 111.696 115.633 -3.937 19955 2422 1 4 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.696 0.045 19955 2423 1 4 . 1 1 802 802 PHE C C 802 173.408 173.408 173.897 -0.489 19955 2424 1 4 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.718 -3.349 19955 2425 1 4 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.443 0.799 19955 2426 1 4 . 1 1 802 802 PHE H H 802 7.069 7.069 7.683 -0.614 19955 2427 1 4 . 1 1 803 803 ASP N N 803 117.498 117.498 121.425 -3.927 19955 2428 1 4 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.829 -0.305 19955 2429 1 4 . 1 1 803 803 ASP C C 803 175.782 175.782 175.425 0.357 19955 2430 1 4 . 1 1 803 803 ASP CA C 803 54.726 54.726 54.001 0.725 19955 2431 1 4 . 1 1 803 803 ASP CB C 803 41.154 41.154 40.978 0.176 19955 2432 1 4 . 1 1 803 803 ASP H H 803 8.339 8.339 8.616 -0.277 19955 2433 1 4 . 1 1 804 804 PHE N N 804 123.264 123.264 127.357 -4.093 19955 2434 1 4 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.471 0.521 19955 2435 1 4 . 1 1 804 804 PHE C C 804 173.750 173.750 173.701 0.049 19955 2436 1 4 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.087 0.134 19955 2437 1 4 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.059 0.073 19955 2438 1 4 . 1 1 804 804 PHE H H 804 9.223 9.223 8.389 0.834 19955 2439 1 4 . 1 1 805 805 LYS N N 805 129.548 129.548 128.265 1.283 19955 2440 1 4 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.210 -0.089 19955 2441 1 4 . 1 1 805 805 LYS C C 805 174.042 174.042 174.725 -0.683 19955 2442 1 4 . 1 1 805 805 LYS CA C 805 54.368 54.368 55.217 -0.849 19955 2443 1 4 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.420 -1.639 19955 2444 1 4 . 1 1 805 805 LYS H H 805 8.125 8.125 8.041 0.084 19955 2445 1 4 . 1 1 806 806 ALA N N 806 127.231 127.231 125.863 1.368 19955 2446 1 4 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.153 -0.271 19955 2447 1 4 . 1 1 806 806 ALA C C 806 178.066 178.066 176.856 1.210 19955 2448 1 4 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.188 -0.590 19955 2449 1 4 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.365 1.140 19955 2450 1 4 . 1 1 806 806 ALA H H 806 7.291 7.291 8.032 -0.741 19955 2451 1 4 . 1 1 807 807 GLN N N 807 121.482 121.482 121.211 0.271 19955 2452 1 4 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.229 0.097 19955 2453 1 4 . 1 1 807 807 GLN C C 807 175.927 175.927 174.903 1.024 19955 2454 1 4 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.598 -0.392 19955 2455 1 4 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.880 1.062 19955 2456 1 4 . 1 1 807 807 GLN H H 807 9.375 9.375 8.797 0.578 19955 2457 1 4 . 1 1 808 808 THR N N 808 108.842 108.842 109.034 -0.192 19955 2458 1 4 . 1 1 808 808 THR HA H 808 4.661 4.661 4.602 0.059 19955 2459 1 4 . 1 1 808 808 THR C C 808 175.262 175.262 174.229 1.033 19955 2460 1 4 . 1 1 808 808 THR CA C 808 59.313 59.313 59.739 -0.425 19955 2461 1 4 . 1 1 808 808 THR CB C 808 71.810 71.810 71.626 0.184 19955 2462 1 4 . 1 1 808 808 THR H H 808 7.472 7.472 7.438 0.034 19955 2463 1 4 . 1 1 809 809 LEU N N 809 119.518 119.518 120.624 -1.106 19955 2464 1 4 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.083 0.117 19955 2465 1 4 . 1 1 809 809 LEU C C 809 177.895 177.895 177.731 0.164 19955 2466 1 4 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.399 -0.312 19955 2467 1 4 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.867 0.034 19955 2468 1 4 . 1 1 809 809 LEU H H 809 8.387 8.387 8.401 -0.014 19955 2469 1 4 . 1 1 810 810 LYS N N 810 115.587 115.587 116.252 -0.665 19955 2470 1 4 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.024 0.206 19955 2471 1 4 . 1 1 810 810 LYS C C 810 177.172 177.172 176.519 0.653 19955 2472 1 4 . 1 1 810 810 LYS CA C 810 56.807 56.807 57.541 -0.734 19955 2473 1 4 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.547 0.512 19955 2474 1 4 . 1 1 810 810 LYS H H 810 7.707 7.707 7.841 -0.134 19955 2475 1 4 . 1 1 811 811 GLU N N 811 119.522 119.522 118.986 0.536 19955 2476 1 4 . 1 1 811 811 GLU HA H 811 4.699 4.699 3.978 0.721 19955 2477 1 4 . 1 1 811 811 GLU C C 811 174.240 174.240 175.310 -1.070 19955 2478 1 4 . 1 1 811 811 GLU CA C 811 55.419 55.419 56.007 -0.588 19955 2479 1 4 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.150 2.204 19955 2480 1 4 . 1 1 811 811 GLU H H 811 7.244 7.244 7.286 -0.042 19955 2481 1 4 . 1 1 812 812 LEU N N 812 126.910 126.910 126.537 0.373 19955 2482 1 4 . 1 1 812 812 LEU C C 812 172.269 172.269 175.426 -3.157 19955 2483 1 4 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.443 -0.932 19955 2484 1 4 . 1 1 812 812 LEU CB C 812 45.092 45.092 43.102 1.990 19955 2485 1 4 . 1 1 812 812 LEU H H 812 9.168 9.168 8.161 1.007 19955 2486 1 4 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.694 -0.257 19955 2487 1 4 . 1 1 813 813 PRO C C 813 176.755 176.755 175.456 1.299 19955 2488 1 4 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.565 -0.019 19955 2489 1 4 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.513 -0.538 19955 2490 1 4 . 1 1 814 814 LEU N N 814 118.726 118.726 122.382 -3.656 19955 2491 1 4 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.761 -0.115 19955 2492 1 4 . 1 1 814 814 LEU C C 814 176.452 176.452 175.323 1.129 19955 2493 1 4 . 1 1 814 814 LEU CA C 814 53.391 53.391 52.899 0.492 19955 2494 1 4 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.422 0.474 19955 2495 1 4 . 1 1 814 814 LEU H H 814 8.532 8.532 8.920 -0.388 19955 2496 1 4 . 1 1 815 815 GLN N N 815 123.473 123.473 120.906 2.567 19955 2497 1 4 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.606 0.145 19955 2498 1 4 . 1 1 815 815 GLN C C 815 174.820 174.820 174.433 0.387 19955 2499 1 4 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.760 -0.424 19955 2500 1 4 . 1 1 815 815 GLN CB C 815 31.094 31.094 32.009 -0.915 19955 2501 1 4 . 1 1 815 815 GLN H H 815 8.938 8.938 8.582 0.356 19955 2502 1 4 . 1 1 816 816 LYS N N 816 122.982 122.982 127.540 -4.558 19955 2503 1 4 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.861 -0.746 19955 2504 1 4 . 1 1 816 816 LYS C C 816 177.030 177.030 177.374 -0.344 19955 2505 1 4 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.075 0.601 19955 2506 1 4 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.973 0.269 19955 2507 1 4 . 1 1 816 816 LYS H H 816 8.888 8.888 8.984 -0.096 19955 2508 1 4 . 1 1 817 817 GLY N N 817 115.370 115.370 116.011 -0.641 19955 2509 1 4 . 1 1 817 817 GLY C C 817 174.271 174.271 174.581 -0.310 19955 2510 1 4 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.566 0.095 19955 2511 1 4 . 1 1 817 817 GLY H H 817 8.870 8.870 8.853 0.017 19955 2512 1 4 . 1 1 818 818 ASP N N 818 123.102 123.102 122.940 0.162 19955 2513 1 4 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.625 -0.296 19955 2514 1 4 . 1 1 818 818 ASP C C 818 175.076 175.076 175.816 -0.740 19955 2515 1 4 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.551 1.044 19955 2516 1 4 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.832 -0.294 19955 2517 1 4 . 1 1 818 818 ASP H H 818 8.468 8.468 8.018 0.450 19955 2518 1 4 . 1 1 819 819 ILE N N 819 121.053 121.053 123.740 -2.687 19955 2519 1 4 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.570 0.250 19955 2520 1 4 . 1 1 819 819 ILE C C 819 175.630 175.630 175.944 -0.314 19955 2521 1 4 . 1 1 819 819 ILE CA C 819 58.602 58.602 58.873 -0.271 19955 2522 1 4 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.765 -1.224 19955 2523 1 4 . 1 1 819 819 ILE H H 819 8.286 8.286 8.080 0.206 19955 2524 1 4 . 1 1 820 820 VAL N N 820 124.554 124.554 121.223 3.331 19955 2525 1 4 . 1 1 820 820 VAL HA H 820 4.679 4.679 5.038 -0.359 19955 2526 1 4 . 1 1 820 820 VAL C C 820 172.751 172.751 173.890 -1.139 19955 2527 1 4 . 1 1 820 820 VAL CA C 820 57.861 57.861 59.276 -1.415 19955 2528 1 4 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.402 -1.030 19955 2529 1 4 . 1 1 820 820 VAL H H 820 8.717 8.717 8.862 -0.145 19955 2530 1 4 . 1 1 821 821 TYR N N 821 120.296 120.296 122.365 -2.069 19955 2531 1 4 . 1 1 821 821 TYR HA H 821 4.803 4.803 4.575 0.228 19955 2532 1 4 . 1 1 821 821 TYR C C 821 175.760 175.760 175.158 0.602 19955 2533 1 4 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.819 0.019 19955 2534 1 4 . 1 1 821 821 TYR CB C 821 40.132 40.132 39.330 0.802 19955 2535 1 4 . 1 1 821 821 TYR H H 821 8.360 8.360 8.230 0.130 19955 2536 1 4 . 1 1 822 822 ILE N N 822 123.440 123.440 123.878 -0.438 19955 2537 1 4 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.153 -0.288 19955 2538 1 4 . 1 1 822 822 ILE C C 822 176.541 176.541 175.776 0.765 19955 2539 1 4 . 1 1 822 822 ILE CA C 822 62.327 62.327 61.782 0.545 19955 2540 1 4 . 1 1 822 822 ILE CB C 822 39.429 39.429 38.109 1.320 19955 2541 1 4 . 1 1 822 822 ILE H H 822 8.991 8.991 8.049 0.942 19955 2542 1 4 . 1 1 823 823 TYR N N 823 127.197 127.197 126.228 0.969 19955 2543 1 4 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.696 0.372 19955 2544 1 4 . 1 1 823 823 TYR C C 823 176.327 176.327 176.105 0.222 19955 2545 1 4 . 1 1 823 823 TYR CA C 823 56.331 56.331 58.667 -2.336 19955 2546 1 4 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.256 -1.971 19955 2547 1 4 . 1 1 823 823 TYR H H 823 9.699 9.699 8.281 1.418 19955 2548 1 4 . 1 1 824 824 LYS N N 824 113.691 113.691 117.462 -3.771 19955 2549 1 4 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.719 -0.055 19955 2550 1 4 . 1 1 824 824 LYS C C 824 174.044 174.044 174.323 -0.279 19955 2551 1 4 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.266 0.035 19955 2552 1 4 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.702 0.402 19955 2553 1 4 . 1 1 824 824 LYS H H 824 7.904 7.904 7.582 0.322 19955 2554 1 4 . 1 1 825 825 GLN N N 825 122.998 122.998 121.984 1.014 19955 2555 1 4 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.490 0.124 19955 2556 1 4 . 1 1 825 825 GLN C C 825 175.372 175.372 175.462 -0.090 19955 2557 1 4 . 1 1 825 825 GLN CA C 825 55.970 55.970 56.085 -0.115 19955 2558 1 4 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.491 -0.478 19955 2559 1 4 . 1 1 825 825 GLN H H 825 9.091 9.091 8.759 0.332 19955 2560 1 4 . 1 1 826 826 ILE N N 826 126.911 126.911 127.080 -0.169 19955 2561 1 4 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.187 -0.237 19955 2562 1 4 . 1 1 826 826 ILE C C 826 175.447 175.447 176.568 -1.121 19955 2563 1 4 . 1 1 826 826 ILE CA C 826 62.062 62.062 62.346 -0.284 19955 2564 1 4 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.419 -0.240 19955 2565 1 4 . 1 1 826 826 ILE H H 826 8.356 8.356 8.490 -0.134 19955 2566 1 4 . 1 1 827 827 ASP N N 827 118.575 118.575 116.485 2.090 19955 2567 1 4 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.867 -0.448 19955 2568 1 4 . 1 1 827 827 ASP C C 827 175.673 175.673 176.682 -1.009 19955 2569 1 4 . 1 1 827 827 ASP CA C 827 53.255 53.255 53.260 -0.005 19955 2570 1 4 . 1 1 827 827 ASP CB C 827 40.120 40.120 43.291 -3.171 19955 2571 1 4 . 1 1 827 827 ASP H H 827 7.952 7.952 7.737 0.215 19955 2572 1 4 . 1 1 828 828 GLN N N 828 113.633 113.633 118.607 -4.974 19955 2573 1 4 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.066 -0.194 19955 2574 1 4 . 1 1 828 828 GLN C C 828 175.745 175.745 176.055 -0.310 19955 2575 1 4 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.582 -0.321 19955 2576 1 4 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.866 -0.368 19955 2577 1 4 . 1 1 828 828 GLN H H 828 8.468 8.468 8.730 -0.262 19955 2578 1 4 . 1 1 829 829 ASN N N 829 114.412 114.412 113.576 0.836 19955 2579 1 4 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.662 0.080 19955 2580 1 4 . 1 1 829 829 ASN C C 829 175.652 175.652 173.634 2.018 19955 2581 1 4 . 1 1 829 829 ASN CA C 829 53.641 53.641 52.867 0.774 19955 2582 1 4 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.221 2.594 19955 2583 1 4 . 1 1 829 829 ASN H H 829 8.799 8.799 8.079 0.720 19955 2584 1 4 . 1 1 830 830 TRP N N 830 121.661 121.661 119.301 2.360 19955 2585 1 4 . 1 1 830 830 TRP HA H 830 4.810 4.810 4.824 -0.014 19955 2586 1 4 . 1 1 830 830 TRP C C 830 175.077 175.077 174.411 0.666 19955 2587 1 4 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.763 0.527 19955 2588 1 4 . 1 1 830 830 TRP CB C 830 32.570 32.570 33.056 -0.486 19955 2589 1 4 . 1 1 830 830 TRP H H 830 8.033 8.033 7.286 0.747 19955 2590 1 4 . 1 1 831 831 TYR N N 831 120.163 120.163 120.817 -0.654 19955 2591 1 4 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.799 0.246 19955 2592 1 4 . 1 1 831 831 TYR C C 831 173.672 173.672 173.680 -0.008 19955 2593 1 4 . 1 1 831 831 TYR CA C 831 56.372 56.372 57.157 -0.785 19955 2594 1 4 . 1 1 831 831 TYR CB C 831 42.726 42.726 42.839 -0.113 19955 2595 1 4 . 1 1 831 831 TYR H H 831 8.721 8.721 8.499 0.222 19955 2596 1 4 . 1 1 832 832 GLU N N 832 117.935 117.935 121.497 -3.562 19955 2597 1 4 . 1 1 832 832 GLU HA H 832 4.937 4.937 5.412 -0.475 19955 2598 1 4 . 1 1 832 832 GLU C C 832 176.121 176.121 175.189 0.932 19955 2599 1 4 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.176 0.228 19955 2600 1 4 . 1 1 832 832 GLU CB C 832 33.955 33.955 34.021 -0.066 19955 2601 1 4 . 1 1 832 832 GLU H H 832 8.696 8.696 8.408 0.288 19955 2602 1 4 . 1 1 833 833 GLY N N 833 115.171 115.171 111.453 3.718 19955 2603 1 4 . 1 1 833 833 GLY C C 833 168.962 168.962 171.909 -2.947 19955 2604 1 4 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.508 1.115 19955 2605 1 4 . 1 1 833 833 GLY H H 833 9.063 9.063 8.304 0.759 19955 2606 1 4 . 1 1 834 834 GLU N N 834 117.849 117.849 120.615 -2.766 19955 2607 1 4 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.610 0.079 19955 2608 1 4 . 1 1 834 834 GLU C C 834 175.077 175.077 175.531 -0.454 19955 2609 1 4 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.852 -0.886 19955 2610 1 4 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.002 2.042 19955 2611 1 4 . 1 1 834 834 GLU H H 834 8.708 8.708 8.420 0.288 19955 2612 1 4 . 1 1 835 835 HIS N N 835 120.973 120.973 123.948 -2.975 19955 2613 1 4 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.143 -0.309 19955 2614 1 4 . 1 1 835 835 HIS C C 835 174.509 174.509 174.931 -0.422 19955 2615 1 4 . 1 1 835 835 HIS CA C 835 56.249 56.249 55.129 1.120 19955 2616 1 4 . 1 1 835 835 HIS CB C 835 33.211 33.211 33.097 0.114 19955 2617 1 4 . 1 1 835 835 HIS H H 835 8.799 8.799 9.509 -0.710 19955 2618 1 4 . 1 1 836 836 HIS N N 836 125.728 125.728 125.360 0.368 19955 2619 1 4 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.071 0.095 19955 2620 1 4 . 1 1 836 836 HIS C C 836 175.012 175.012 174.753 0.259 19955 2621 1 4 . 1 1 836 836 HIS CA C 836 55.689 55.689 57.088 -1.399 19955 2622 1 4 . 1 1 836 836 HIS CB C 836 27.994 27.994 29.034 -1.040 19955 2623 1 4 . 1 1 836 836 HIS H H 836 9.163 9.163 9.327 -0.164 19955 2624 1 4 . 1 1 837 837 GLY N N 837 104.909 104.909 102.719 2.190 19955 2625 1 4 . 1 1 837 837 GLY C C 837 173.235 173.235 174.053 -0.818 19955 2626 1 4 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.145 0.509 19955 2627 1 4 . 1 1 837 837 GLY H H 837 9.070 9.070 8.573 0.497 19955 2628 1 4 . 1 1 838 838 ARG N N 838 122.925 122.925 118.692 4.233 19955 2629 1 4 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.740 -0.147 19955 2630 1 4 . 1 1 838 838 ARG C C 838 173.682 173.682 174.469 -0.787 19955 2631 1 4 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.214 0.667 19955 2632 1 4 . 1 1 838 838 ARG CB C 838 32.058 32.058 34.653 -2.595 19955 2633 1 4 . 1 1 838 838 ARG H H 838 7.814 7.814 8.297 -0.483 19955 2634 1 4 . 1 1 839 839 VAL N N 839 123.572 123.572 120.457 3.115 19955 2635 1 4 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.398 -0.264 19955 2636 1 4 . 1 1 839 839 VAL C C 839 177.296 177.296 175.480 1.816 19955 2637 1 4 . 1 1 839 839 VAL CA C 839 60.200 60.200 61.370 -1.170 19955 2638 1 4 . 1 1 839 839 VAL CB C 839 33.994 33.994 34.039 -0.045 19955 2639 1 4 . 1 1 839 839 VAL H H 839 8.360 8.360 8.512 -0.152 19955 2640 1 4 . 1 1 840 840 GLY N N 840 114.006 114.006 114.381 -0.375 19955 2641 1 4 . 1 1 840 840 GLY C C 840 171.246 171.246 171.348 -0.102 19955 2642 1 4 . 1 1 840 840 GLY CA C 840 45.896 45.896 44.359 1.536 19955 2643 1 4 . 1 1 840 840 GLY H H 840 8.951 8.951 8.241 0.710 19955 2644 1 4 . 1 1 841 841 ILE N N 841 112.496 112.496 115.886 -3.390 19955 2645 1 4 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.897 0.984 19955 2646 1 4 . 1 1 841 841 ILE C C 841 176.120 176.120 173.286 2.834 19955 2647 1 4 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.382 0.985 19955 2648 1 4 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.568 -0.651 19955 2649 1 4 . 1 1 841 841 ILE H H 841 8.434 8.434 7.209 1.225 19955 2650 1 4 . 1 1 842 842 PHE N N 842 116.289 116.289 119.284 -2.995 19955 2651 1 4 . 1 1 842 842 PHE HA H 842 4.971 4.971 5.075 -0.104 19955 2652 1 4 . 1 1 842 842 PHE C C 842 171.777 171.777 173.369 -1.592 19955 2653 1 4 . 1 1 842 842 PHE CA C 842 54.265 54.265 55.617 -1.352 19955 2654 1 4 . 1 1 842 842 PHE CB C 842 37.515 37.515 41.741 -4.226 19955 2655 1 4 . 1 1 842 842 PHE H H 842 8.408 8.408 8.877 -0.469 19955 2656 1 4 . 1 1 843 843 PRO HA H 843 3.934 3.934 4.613 -0.679 19955 2657 1 4 . 1 1 843 843 PRO C C 843 178.228 178.228 178.375 -0.147 19955 2658 1 4 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.998 -1.385 19955 2659 1 4 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.671 -0.276 19955 2660 1 4 . 1 1 844 844 ARG N N 844 122.291 122.291 125.560 -3.269 19955 2661 1 4 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.183 -0.239 19955 2662 1 4 . 1 1 844 844 ARG C C 844 178.171 178.171 177.896 0.275 19955 2663 1 4 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.475 -0.857 19955 2664 1 4 . 1 1 844 844 ARG CB C 844 30.297 30.297 29.663 0.634 19955 2665 1 4 . 1 1 844 844 ARG H H 844 7.906 7.906 8.077 -0.171 19955 2666 1 4 . 1 1 845 845 THR N N 845 105.068 105.068 111.233 -6.165 19955 2667 1 4 . 1 1 845 845 THR HA H 845 4.159 4.159 4.165 -0.006 19955 2668 1 4 . 1 1 845 845 THR C C 845 175.363 175.363 175.064 0.299 19955 2669 1 4 . 1 1 845 845 THR CA C 845 63.035 63.035 64.707 -1.672 19955 2670 1 4 . 1 1 845 845 THR CB C 845 69.022 69.022 68.590 0.432 19955 2671 1 4 . 1 1 845 845 THR H H 845 7.907 7.907 8.177 -0.270 19955 2672 1 4 . 1 1 846 846 TYR N N 846 118.977 118.977 120.883 -1.906 19955 2673 1 4 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.705 -0.170 19955 2674 1 4 . 1 1 846 846 TYR C C 846 174.917 174.917 174.048 0.869 19955 2675 1 4 . 1 1 846 846 TYR CA C 846 58.751 58.751 59.321 -0.570 19955 2676 1 4 . 1 1 846 846 TYR CB C 846 38.055 38.055 40.319 -2.264 19955 2677 1 4 . 1 1 846 846 TYR H H 846 7.611 7.611 8.299 -0.688 19955 2678 1 4 . 1 1 847 847 ILE N N 847 113.230 113.230 111.634 1.596 19955 2679 1 4 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.167 -0.068 19955 2680 1 4 . 1 1 847 847 ILE C C 847 174.141 174.141 173.844 0.297 19955 2681 1 4 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.283 -0.829 19955 2682 1 4 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.249 -0.058 19955 2683 1 4 . 1 1 847 847 ILE H H 847 7.390 7.390 7.198 0.192 19955 2684 1 4 . 1 1 848 848 GLU N N 848 121.909 121.909 119.206 2.703 19955 2685 1 4 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.572 -0.024 19955 2686 1 4 . 1 1 848 848 GLU C C 848 175.193 175.193 175.241 -0.048 19955 2687 1 4 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.104 -0.440 19955 2688 1 4 . 1 1 848 848 GLU CB C 848 32.624 32.624 33.781 -1.157 19955 2689 1 4 . 1 1 848 848 GLU H H 848 8.786 8.786 8.730 0.056 19955 2690 1 4 . 1 1 849 849 LEU N N 849 126.431 126.431 123.859 2.572 19955 2691 1 4 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.255 -0.164 19955 2692 1 4 . 1 1 849 849 LEU C C 849 177.019 177.019 175.996 1.023 19955 2693 1 4 . 1 1 849 849 LEU CA C 849 55.667 55.667 53.850 1.817 19955 2694 1 4 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.452 -0.909 19955 2695 1 4 . 1 1 849 849 LEU H H 849 8.730 8.730 8.528 0.202 19955 2696 1 4 . 1 1 850 850 LEU N N 850 123.942 123.942 124.467 -0.525 19955 2697 1 4 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.007 0.555 19955 2698 1 4 . 1 1 850 850 LEU C C 850 174.453 174.453 174.011 0.442 19955 2699 1 4 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.585 -1.780 19955 2700 1 4 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.309 -0.346 19955 2701 1 4 . 1 1 850 850 LEU H H 850 7.846 7.846 8.654 -0.808 19955 2702 1 4 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.299 0.030 19955 2703 1 4 . 1 1 852 852 PRO C C 852 176.580 176.580 175.514 1.066 19955 2704 1 4 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.360 -0.457 19955 2705 1 4 . 1 1 852 852 PRO CB C 852 31.765 31.765 29.692 2.073 19955 2706 1 4 . 1 1 853 853 ALA N N 853 124.102 124.102 124.872 -0.770 19955 2707 1 4 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.407 -0.167 19955 2708 1 4 . 1 1 853 853 ALA C C 853 177.767 177.767 176.415 1.352 19955 2709 1 4 . 1 1 853 853 ALA CA C 853 52.258 52.258 51.717 0.541 19955 2710 1 4 . 1 1 853 853 ALA CB C 853 19.516 19.516 20.922 -1.406 19955 2711 1 4 . 1 1 853 853 ALA H H 853 8.354 8.354 7.809 0.545 19955 2712 1 4 . 1 1 854 854 GLU N N 854 120.540 120.540 121.626 -1.086 19955 2713 1 4 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.343 -0.140 19955 2714 1 4 . 1 1 854 854 GLU C C 854 176.402 176.402 177.811 -1.409 19955 2715 1 4 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.501 -0.121 19955 2716 1 4 . 1 1 854 854 GLU CB C 854 30.432 30.432 30.233 0.199 19955 2717 1 4 . 1 1 854 854 GLU H H 854 8.348 8.348 8.650 -0.302 19955 2718 1 4 . 1 1 855 855 LYS N N 855 122.717 122.717 119.364 3.353 19955 2719 1 4 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.013 0.202 19955 2720 1 4 . 1 1 855 855 LYS C C 855 176.078 176.078 176.028 0.050 19955 2721 1 4 . 1 1 855 855 LYS CA C 855 56.018 56.018 57.347 -1.329 19955 2722 1 4 . 1 1 855 855 LYS CB C 855 33.187 33.187 32.258 0.929 19955 2723 1 4 . 1 1 855 855 LYS H H 855 8.305 8.305 8.019 0.286 19955 2724 1 4 . 1 1 856 856 ALA N N 856 125.584 125.584 120.115 5.469 19955 2725 1 4 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.255 -0.014 19955 2726 1 4 . 1 1 856 856 ALA C C 856 177.276 177.276 175.983 1.293 19955 2727 1 4 . 1 1 856 856 ALA CA C 856 52.046 52.046 52.045 0.001 19955 2728 1 4 . 1 1 856 856 ALA CB C 856 19.294 19.294 19.499 -0.205 19955 2729 1 4 . 1 1 856 856 ALA H H 856 8.219 8.219 8.078 0.141 19955 2730 1 4 . 1 1 857 857 GLN N N 857 121.223 121.223 120.837 0.386 19955 2731 1 4 . 1 1 857 857 GLN C C 857 173.964 173.964 173.262 0.702 19955 2732 1 4 . 1 1 857 857 GLN CA C 857 53.490 53.490 54.039 -0.549 19955 2733 1 4 . 1 1 857 857 GLN CB C 857 29.040 29.040 29.054 -0.014 19955 2734 1 4 . 1 1 857 857 GLN H H 857 8.333 8.333 8.430 -0.097 19955 2735 1 4 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.555 -0.217 19955 2736 1 4 . 1 1 858 858 PRO C C 858 176.696 176.696 175.797 0.899 19955 2737 1 4 . 1 1 858 858 PRO CA C 858 62.910 62.910 62.980 -0.070 19955 2738 1 4 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.519 -0.444 19955 2739 1 4 . 1 1 859 859 LYS N N 859 121.891 121.891 122.166 -0.275 19955 2740 1 4 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.517 -0.327 19955 2741 1 4 . 1 1 859 859 LYS C C 859 176.382 176.382 176.137 0.245 19955 2742 1 4 . 1 1 859 859 LYS CA C 859 56.130 56.130 55.156 0.974 19955 2743 1 4 . 1 1 859 859 LYS CB C 859 33.070 33.070 34.514 -1.444 19955 2744 1 4 . 1 1 859 859 LYS H H 859 8.355 8.355 8.347 0.008 19955 2745 1 4 . 1 1 860 860 LYS N N 860 123.002 123.002 122.280 0.722 19955 2746 1 4 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.656 -0.411 19955 2747 1 4 . 1 1 860 860 LYS C C 860 176.131 176.131 175.555 0.576 19955 2748 1 4 . 1 1 860 860 LYS CA C 860 55.852 55.852 55.992 -0.140 19955 2749 1 4 . 1 1 860 860 LYS CB C 860 33.148 33.148 33.492 -0.344 19955 2750 1 4 . 1 1 860 860 LYS H H 860 8.267 8.267 8.521 -0.254 19955 2751 1 4 . 1 1 861 861 LEU N N 861 124.576 124.576 119.918 4.658 19955 2752 1 4 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.794 -0.438 19955 2753 1 4 . 1 1 861 861 LEU C C 861 177.069 177.069 175.633 1.436 19955 2754 1 4 . 1 1 861 861 LEU CA C 861 54.795 54.795 54.216 0.579 19955 2755 1 4 . 1 1 861 861 LEU CB C 861 42.350 42.350 43.008 -0.659 19955 2756 1 4 . 1 1 861 861 LEU H H 861 8.316 8.316 8.191 0.125 19955 2757 1 4 . 1 1 862 862 THR N N 862 117.878 117.878 117.787 0.091 19955 2758 1 4 . 1 1 862 862 THR HA H 862 4.729 4.729 4.746 -0.017 19955 2759 1 4 . 1 1 862 862 THR C C 862 172.639 172.639 172.516 0.123 19955 2760 1 4 . 1 1 862 862 THR CA C 862 59.644 59.644 61.544 -1.900 19955 2761 1 4 . 1 1 862 862 THR CB C 862 69.476 69.476 69.079 0.397 19955 2762 1 4 . 1 1 862 862 THR H H 862 8.162 8.162 8.577 -0.415 19955 2763 1 4 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.644 -0.276 19955 2764 1 4 . 1 1 863 863 PRO C C 863 176.753 176.753 175.455 1.298 19955 2765 1 4 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.348 0.844 19955 2766 1 4 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.936 -0.878 19955 2767 1 4 . 1 1 864 864 VAL N N 864 120.359 120.359 117.262 3.097 19955 2768 1 4 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.711 -0.726 19955 2769 1 4 . 1 1 864 864 VAL C C 864 175.964 175.964 174.780 1.184 19955 2770 1 4 . 1 1 864 864 VAL CA C 864 62.342 62.342 61.042 1.300 19955 2771 1 4 . 1 1 864 864 VAL CB C 864 32.521 32.521 34.832 -2.311 19955 2772 1 4 . 1 1 864 864 VAL H H 864 8.102 8.102 8.604 -0.502 19955 2773 1 4 . 1 1 865 865 GLN N N 865 124.642 124.642 121.786 2.856 19955 2774 1 4 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.423 -0.137 19955 2775 1 4 . 1 1 865 865 GLN C C 865 175.443 175.443 174.313 1.130 19955 2776 1 4 . 1 1 865 865 GLN CA C 865 55.595 55.595 54.931 0.664 19955 2777 1 4 . 1 1 865 865 GLN CB C 865 29.739 29.739 30.615 -0.876 19955 2778 1 4 . 1 1 865 865 GLN H H 865 8.333 8.333 8.187 0.146 19955 2779 1 4 . 1 1 866 866 VAL N N 866 123.436 123.436 120.123 3.313 19955 2780 1 4 . 1 1 866 866 VAL HA H 866 3.969 3.969 3.728 0.241 19955 2781 1 4 . 1 1 866 866 VAL C C 866 175.685 175.685 176.122 -0.437 19955 2782 1 4 . 1 1 866 866 VAL CA C 866 62.398 62.398 63.790 -1.392 19955 2783 1 4 . 1 1 866 866 VAL CB C 866 32.832 32.832 31.671 1.161 19955 2784 1 4 . 1 1 866 866 VAL H H 866 8.189 8.189 8.551 -0.362 19955 2785 1 4 . 1 1 867 867 LEU N N 867 127.515 127.515 115.314 12.201 19955 2786 1 4 . 1 1 867 867 LEU HA H 867 4.262 4.262 3.821 0.441 19955 2787 1 4 . 1 1 867 867 LEU C C 867 177.037 177.037 176.313 0.724 19955 2788 1 4 . 1 1 867 867 LEU CA C 867 55.688 55.688 56.360 -0.672 19955 2789 1 4 . 1 1 867 867 LEU CB C 867 42.552 42.552 40.762 1.790 19955 2790 1 4 . 1 1 867 867 LEU H H 867 8.679 8.679 7.629 1.050 19955 2791 1 4 . 1 1 868 868 GLU N N 868 120.794 120.794 120.975 -0.181 19955 2792 1 4 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.177 0.042 19955 2793 1 4 . 1 1 868 868 GLU C C 868 175.353 175.353 175.352 0.001 19955 2794 1 4 . 1 1 868 868 GLU CA C 868 55.753 55.753 56.349 -0.596 19955 2795 1 4 . 1 1 868 868 GLU CB C 868 31.419 31.419 30.374 1.045 19955 2796 1 4 . 1 1 868 868 GLU H H 868 8.272 8.272 8.119 0.153 19955 2797 1 4 . 1 1 869 869 TYR N N 869 121.165 121.165 123.682 -2.517 19955 2798 1 4 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.499 0.201 19955 2799 1 4 . 1 1 869 869 TYR C C 869 176.824 176.824 176.456 0.368 19955 2800 1 4 . 1 1 869 869 TYR CA C 869 56.809 56.809 58.297 -1.488 19955 2801 1 4 . 1 1 869 869 TYR CB C 869 38.650 38.650 40.097 -1.447 19955 2802 1 4 . 1 1 869 869 TYR H H 869 8.003 8.003 8.257 -0.254 19955 2803 1 4 . 1 1 870 870 GLY N N 870 104.958 104.958 108.776 -3.818 19955 2804 1 4 . 1 1 870 870 GLY C C 870 173.846 173.846 173.524 0.322 19955 2805 1 4 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.680 -0.461 19955 2806 1 4 . 1 1 870 870 GLY H H 870 8.590 8.590 8.541 0.049 19955 2807 1 4 . 1 1 871 871 GLU N N 871 122.341 122.341 118.998 3.343 19955 2808 1 4 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.456 -0.234 19955 2809 1 4 . 1 1 871 871 GLU C C 871 173.827 173.827 174.784 -0.957 19955 2810 1 4 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.554 1.305 19955 2811 1 4 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.281 0.653 19955 2812 1 4 . 1 1 871 871 GLU H H 871 9.246 9.246 7.837 1.409 19955 2813 1 4 . 1 1 872 872 ALA N N 872 126.709 126.709 122.804 3.905 19955 2814 1 4 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.036 0.068 19955 2815 1 4 . 1 1 872 872 ALA C C 872 174.022 174.022 174.733 -0.711 19955 2816 1 4 . 1 1 872 872 ALA CA C 872 50.135 50.135 51.338 -1.203 19955 2817 1 4 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.624 1.874 19955 2818 1 4 . 1 1 872 872 ALA H H 872 9.266 9.266 9.002 0.264 19955 2819 1 4 . 1 1 873 873 ILE N N 873 118.554 118.554 120.899 -2.345 19955 2820 1 4 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.915 -0.301 19955 2821 1 4 . 1 1 873 873 ILE C C 873 176.132 176.132 175.151 0.981 19955 2822 1 4 . 1 1 873 873 ILE CA C 873 58.788 58.788 59.180 -0.392 19955 2823 1 4 . 1 1 873 873 ILE CB C 873 40.630 40.630 42.119 -1.489 19955 2824 1 4 . 1 1 873 873 ILE H H 873 8.522 8.522 8.225 0.297 19955 2825 1 4 . 1 1 874 874 ALA N N 874 129.739 129.739 130.652 -0.913 19955 2826 1 4 . 1 1 874 874 ALA HA H 874 4.037 4.037 3.609 0.428 19955 2827 1 4 . 1 1 874 874 ALA C C 874 178.259 178.259 176.849 1.410 19955 2828 1 4 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.656 0.681 19955 2829 1 4 . 1 1 874 874 ALA CB C 874 21.278 21.278 18.823 2.455 19955 2830 1 4 . 1 1 874 874 ALA H H 874 8.608 8.608 8.176 0.432 19955 2831 1 4 . 1 1 875 875 LYS N N 875 127.308 127.308 125.593 1.715 19955 2832 1 4 . 1 1 875 875 LYS HA H 875 4.024 4.024 4.117 -0.093 19955 2833 1 4 . 1 1 875 875 LYS C C 875 174.098 174.098 175.749 -1.651 19955 2834 1 4 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.843 -1.744 19955 2835 1 4 . 1 1 875 875 LYS CB C 875 33.984 33.984 33.628 0.356 19955 2836 1 4 . 1 1 875 875 LYS H H 875 9.298 9.298 8.359 0.939 19955 2837 1 4 . 1 1 876 876 PHE N N 876 113.423 113.423 114.325 -0.902 19955 2838 1 4 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.790 0.121 19955 2839 1 4 . 1 1 876 876 PHE C C 876 174.050 174.050 172.997 1.053 19955 2840 1 4 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.191 -2.346 19955 2841 1 4 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.254 2.488 19955 2842 1 4 . 1 1 876 876 PHE H H 876 7.328 7.328 7.712 -0.384 19955 2843 1 4 . 1 1 877 877 ASN N N 877 116.437 116.437 120.087 -3.650 19955 2844 1 4 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.410 0.379 19955 2845 1 4 . 1 1 877 877 ASN C C 877 174.454 174.454 173.649 0.805 19955 2846 1 4 . 1 1 877 877 ASN CA C 877 53.535 53.535 54.146 -0.611 19955 2847 1 4 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.183 0.024 19955 2848 1 4 . 1 1 877 877 ASN H H 877 8.666 8.666 8.421 0.245 19955 2849 1 4 . 1 1 878 878 PHE N N 878 123.179 123.179 125.811 -2.632 19955 2850 1 4 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.295 0.370 19955 2851 1 4 . 1 1 878 878 PHE C C 878 173.027 173.027 172.741 0.286 19955 2852 1 4 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.688 -0.584 19955 2853 1 4 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.535 -0.449 19955 2854 1 4 . 1 1 878 878 PHE H H 878 8.433 8.433 8.520 -0.087 19955 2855 1 4 . 1 1 879 879 ASN N N 879 127.113 127.113 124.509 2.604 19955 2856 1 4 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.744 -0.182 19955 2857 1 4 . 1 1 879 879 ASN C C 879 173.174 173.174 174.559 -1.385 19955 2858 1 4 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.422 -0.492 19955 2859 1 4 . 1 1 879 879 ASN CB C 879 39.387 39.387 40.322 -0.935 19955 2860 1 4 . 1 1 879 879 ASN H H 879 8.000 8.000 7.687 0.313 19955 2861 1 4 . 1 1 880 880 GLY N N 880 110.949 110.949 109.937 1.012 19955 2862 1 4 . 1 1 880 880 GLY C C 880 173.383 173.383 174.011 -0.628 19955 2863 1 4 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.648 1.010 19955 2864 1 4 . 1 1 880 880 GLY H H 880 7.997 7.997 8.205 -0.208 19955 2865 1 4 . 1 1 881 881 ASP N N 881 122.408 122.408 116.361 6.047 19955 2866 1 4 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.615 0.018 19955 2867 1 4 . 1 1 881 881 ASP C C 881 176.286 176.286 176.697 -0.411 19955 2868 1 4 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.259 0.937 19955 2869 1 4 . 1 1 881 881 ASP CB C 881 43.140 43.140 40.840 2.300 19955 2870 1 4 . 1 1 881 881 ASP H H 881 8.796 8.796 8.414 0.382 19955 2871 1 4 . 1 1 882 882 THR N N 882 108.354 108.354 112.787 -4.433 19955 2872 1 4 . 1 1 882 882 THR HA H 882 4.583 4.583 4.405 0.178 19955 2873 1 4 . 1 1 882 882 THR C C 882 175.948 175.948 175.549 0.399 19955 2874 1 4 . 1 1 882 882 THR CA C 882 60.352 60.352 60.701 -0.349 19955 2875 1 4 . 1 1 882 882 THR CB C 882 71.649 71.649 70.339 1.310 19955 2876 1 4 . 1 1 882 882 THR H H 882 7.541 7.541 7.641 -0.100 19955 2877 1 4 . 1 1 883 883 GLN N N 883 118.622 118.622 119.114 -0.492 19955 2878 1 4 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.030 0.122 19955 2879 1 4 . 1 1 883 883 GLN C C 883 176.478 176.478 176.628 -0.150 19955 2880 1 4 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.198 -0.002 19955 2881 1 4 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.404 0.265 19955 2882 1 4 . 1 1 883 883 GLN H H 883 8.710 8.710 8.573 0.137 19955 2883 1 4 . 1 1 884 884 VAL N N 884 111.473 111.473 117.335 -5.862 19955 2884 1 4 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.901 0.306 19955 2885 1 4 . 1 1 884 884 VAL C C 884 176.430 176.430 176.738 -0.308 19955 2886 1 4 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.524 -1.231 19955 2887 1 4 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.581 0.343 19955 2888 1 4 . 1 1 884 884 VAL H H 884 7.260 7.260 7.871 -0.611 19955 2889 1 4 . 1 1 885 885 GLU N N 885 121.794 121.794 118.470 3.324 19955 2890 1 4 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.515 0.393 19955 2891 1 4 . 1 1 885 885 GLU C C 885 175.369 175.369 175.617 -0.248 19955 2892 1 4 . 1 1 885 885 GLU CA C 885 55.310 55.310 56.124 -0.814 19955 2893 1 4 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.469 1.320 19955 2894 1 4 . 1 1 885 885 GLU H H 885 7.455 7.455 7.537 -0.082 19955 2895 1 4 . 1 1 886 886 MET N N 886 125.473 125.473 124.473 1.000 19955 2896 1 4 . 1 1 886 886 MET HA H 886 4.534 4.534 4.621 -0.087 19955 2897 1 4 . 1 1 886 886 MET C C 886 172.841 172.841 174.771 -1.930 19955 2898 1 4 . 1 1 886 886 MET CA C 886 54.129 54.129 53.845 0.284 19955 2899 1 4 . 1 1 886 886 MET CB C 886 35.157 35.157 34.246 0.911 19955 2900 1 4 . 1 1 886 886 MET H H 886 8.996 8.996 8.644 0.352 19955 2901 1 4 . 1 1 887 887 SER N N 887 118.425 118.425 115.409 3.016 19955 2902 1 4 . 1 1 887 887 SER HA H 887 4.402 4.402 4.186 0.216 19955 2903 1 4 . 1 1 887 887 SER C C 887 174.667 174.667 172.039 2.628 19955 2904 1 4 . 1 1 887 887 SER CA C 887 58.612 58.612 56.245 2.367 19955 2905 1 4 . 1 1 887 887 SER CB C 887 64.186 64.186 64.862 -0.676 19955 2906 1 4 . 1 1 887 887 SER H H 887 7.888 7.888 7.858 0.030 19955 2907 1 4 . 1 1 888 888 PHE N N 888 116.363 116.363 120.279 -3.916 19955 2908 1 4 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.954 -0.440 19955 2909 1 4 . 1 1 888 888 PHE C C 888 174.756 174.756 173.500 1.256 19955 2910 1 4 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.809 -0.273 19955 2911 1 4 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.069 -0.267 19955 2912 1 4 . 1 1 888 888 PHE H H 888 8.780 8.780 8.543 0.237 19955 2913 1 4 . 1 1 889 889 ARG N N 889 121.944 121.944 118.614 3.330 19955 2914 1 4 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.747 0.225 19955 2915 1 4 . 1 1 889 889 ARG C C 889 175.318 175.318 175.824 -0.506 19955 2916 1 4 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.565 -1.266 19955 2917 1 4 . 1 1 889 889 ARG CB C 889 32.886 32.886 33.170 -0.284 19955 2918 1 4 . 1 1 889 889 ARG H H 889 10.187 10.187 8.592 1.595 19955 2919 1 4 . 1 1 890 890 LYS N N 890 119.991 119.991 121.563 -1.572 19955 2920 1 4 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.901 -0.653 19955 2921 1 4 . 1 1 890 890 LYS C C 890 176.504 176.504 177.639 -1.135 19955 2922 1 4 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.266 0.130 19955 2923 1 4 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.603 0.225 19955 2924 1 4 . 1 1 890 890 LYS H H 890 8.360 8.360 9.302 -0.942 19955 2925 1 4 . 1 1 891 891 GLY N N 891 113.950 113.950 114.639 -0.689 19955 2926 1 4 . 1 1 891 891 GLY C C 891 174.298 174.298 174.354 -0.056 19955 2927 1 4 . 1 1 891 891 GLY CA C 891 44.668 44.668 44.883 -0.214 19955 2928 1 4 . 1 1 891 891 GLY H H 891 8.673 8.673 8.606 0.067 19955 2929 1 4 . 1 1 892 892 GLU N N 892 119.511 119.511 121.784 -2.273 19955 2930 1 4 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.336 -0.220 19955 2931 1 4 . 1 1 892 892 GLU C C 892 174.618 174.618 176.161 -1.543 19955 2932 1 4 . 1 1 892 892 GLU CA C 892 59.515 59.515 56.101 3.414 19955 2933 1 4 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.406 0.175 19955 2934 1 4 . 1 1 892 892 GLU H H 892 7.856 7.856 7.808 0.048 19955 2935 1 4 . 1 1 893 893 ARG N N 893 122.979 122.979 121.886 1.093 19955 2936 1 4 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.603 -0.006 19955 2937 1 4 . 1 1 893 893 ARG C C 893 174.836 174.836 176.052 -1.216 19955 2938 1 4 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.467 -0.939 19955 2939 1 4 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.401 -0.361 19955 2940 1 4 . 1 1 893 893 ARG H H 893 8.120 8.120 8.593 -0.473 19955 2941 1 4 . 1 1 894 894 ILE N N 894 122.659 122.659 123.167 -0.508 19955 2942 1 4 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.387 -0.324 19955 2943 1 4 . 1 1 894 894 ILE C C 894 175.789 175.789 174.714 1.075 19955 2944 1 4 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.241 0.025 19955 2945 1 4 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.105 1.321 19955 2946 1 4 . 1 1 894 894 ILE H H 894 8.586 8.586 9.037 -0.451 19955 2947 1 4 . 1 1 895 895 THR N N 895 124.709 124.709 122.659 2.050 19955 2948 1 4 . 1 1 895 895 THR HA H 895 4.441 4.441 4.854 -0.413 19955 2949 1 4 . 1 1 895 895 THR C C 895 174.124 174.124 174.271 -0.147 19955 2950 1 4 . 1 1 895 895 THR CA C 895 62.837 62.837 62.110 0.727 19955 2951 1 4 . 1 1 895 895 THR CB C 895 69.246 69.246 69.892 -0.646 19955 2952 1 4 . 1 1 895 895 THR H H 895 9.078 9.078 9.027 0.051 19955 2953 1 4 . 1 1 896 896 LEU N N 896 122.648 122.648 128.161 -5.513 19955 2954 1 4 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.447 -0.058 19955 2955 1 4 . 1 1 896 896 LEU C C 896 174.836 174.836 176.341 -1.505 19955 2956 1 4 . 1 1 896 896 LEU H H 896 8.583 8.583 8.753 -0.170 19955 2957 1 4 . 1 1 897 897 LEU N N 897 124.502 124.502 124.777 -0.275 19955 2958 1 4 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.644 -0.312 19955 2959 1 4 . 1 1 897 897 LEU C C 897 176.645 176.645 177.217 -0.572 19955 2960 1 4 . 1 1 897 897 LEU CA C 897 56.226 56.226 56.236 -0.010 19955 2961 1 4 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.188 -0.857 19955 2962 1 4 . 1 1 897 897 LEU H H 897 8.984 8.984 8.746 0.238 19955 2963 1 4 . 1 1 898 898 ARG N N 898 108.422 108.422 114.819 -6.397 19955 2964 1 4 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.576 -0.134 19955 2965 1 4 . 1 1 898 898 ARG C C 898 173.645 173.645 173.720 -0.075 19955 2966 1 4 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.302 -0.061 19955 2967 1 4 . 1 1 898 898 ARG CB C 898 31.609 31.609 32.013 -0.404 19955 2968 1 4 . 1 1 898 898 ARG H H 898 7.413 7.413 7.626 -0.213 19955 2969 1 4 . 1 1 899 899 GLN N N 899 124.503 124.503 121.293 3.210 19955 2970 1 4 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.665 -0.473 19955 2971 1 4 . 1 1 899 899 GLN C C 899 175.142 175.142 176.123 -0.981 19955 2972 1 4 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.653 0.643 19955 2973 1 4 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.318 -0.829 19955 2974 1 4 . 1 1 899 899 GLN H H 899 9.301 9.301 8.684 0.617 19955 2975 1 4 . 1 1 900 900 VAL N N 900 129.109 129.109 121.530 7.579 19955 2976 1 4 . 1 1 900 900 VAL HA H 900 3.666 3.666 4.171 -0.505 19955 2977 1 4 . 1 1 900 900 VAL C C 900 175.298 175.298 176.224 -0.926 19955 2978 1 4 . 1 1 900 900 VAL CA C 900 64.773 64.773 62.850 1.923 19955 2979 1 4 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.493 0.328 19955 2980 1 4 . 1 1 900 900 VAL H H 900 8.475 8.475 8.422 0.053 19955 2981 1 4 . 1 1 901 901 ASP N N 901 118.573 118.573 118.484 0.089 19955 2982 1 4 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.780 -0.384 19955 2983 1 4 . 1 1 901 901 ASP C C 901 175.386 175.386 175.583 -0.197 19955 2984 1 4 . 1 1 901 901 ASP CA C 901 53.300 53.300 53.217 0.083 19955 2985 1 4 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.574 -2.410 19955 2986 1 4 . 1 1 901 901 ASP H H 901 8.038 8.038 7.896 0.142 19955 2987 1 4 . 1 1 902 902 GLU N N 902 114.492 114.492 119.787 -5.295 19955 2988 1 4 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.172 -0.340 19955 2989 1 4 . 1 1 902 902 GLU C C 902 175.973 175.973 176.521 -0.548 19955 2990 1 4 . 1 1 902 902 GLU CA C 902 59.095 59.095 58.798 0.297 19955 2991 1 4 . 1 1 902 902 GLU CB C 902 29.507 29.507 29.893 -0.386 19955 2992 1 4 . 1 1 902 902 GLU H H 902 8.784 8.784 8.464 0.320 19955 2993 1 4 . 1 1 903 903 ASN N N 903 113.835 113.835 114.263 -0.428 19955 2994 1 4 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.827 0.037 19955 2995 1 4 . 1 1 903 903 ASN C C 903 175.238 175.238 173.399 1.839 19955 2996 1 4 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.948 0.852 19955 2997 1 4 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.127 3.083 19955 2998 1 4 . 1 1 903 903 ASN H H 903 8.763 8.763 8.547 0.216 19955 2999 1 4 . 1 1 904 904 TRP N N 904 121.517 121.517 117.859 3.658 19955 3000 1 4 . 1 1 904 904 TRP HA H 904 4.950 4.950 5.128 -0.178 19955 3001 1 4 . 1 1 904 904 TRP C C 904 175.223 175.223 175.030 0.193 19955 3002 1 4 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.558 0.621 19955 3003 1 4 . 1 1 904 904 TRP CB C 904 31.286 31.286 33.253 -1.967 19955 3004 1 4 . 1 1 904 904 TRP H H 904 8.141 8.141 7.251 0.890 19955 3005 1 4 . 1 1 905 905 TYR N N 905 121.365 121.365 115.911 5.454 19955 3006 1 4 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.039 -0.123 19955 3007 1 4 . 1 1 905 905 TYR C C 905 173.702 173.702 172.646 1.056 19955 3008 1 4 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.282 0.178 19955 3009 1 4 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.260 2.141 19955 3010 1 4 . 1 1 905 905 TYR H H 905 8.550 8.550 8.377 0.173 19955 3011 1 4 . 1 1 906 906 GLU N N 906 117.356 117.356 121.410 -4.054 19955 3012 1 4 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.481 0.404 19955 3013 1 4 . 1 1 906 906 GLU C C 906 176.159 176.159 175.332 0.827 19955 3014 1 4 . 1 1 906 906 GLU CA C 906 54.795 54.795 54.311 0.484 19955 3015 1 4 . 1 1 906 906 GLU CB C 906 32.590 32.590 32.845 -0.255 19955 3016 1 4 . 1 1 906 906 GLU H H 906 8.707 8.707 8.914 -0.207 19955 3017 1 4 . 1 1 907 907 GLY N N 907 114.506 114.506 111.860 2.646 19955 3018 1 4 . 1 1 907 907 GLY C C 907 169.408 169.408 171.907 -2.499 19955 3019 1 4 . 1 1 907 907 GLY CA C 907 45.734 45.734 44.981 0.753 19955 3020 1 4 . 1 1 907 907 GLY H H 907 9.334 9.334 8.467 0.867 19955 3021 1 4 . 1 1 908 908 ARG N N 908 114.660 114.660 116.817 -2.157 19955 3022 1 4 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.238 0.139 19955 3023 1 4 . 1 1 908 908 ARG C C 908 173.981 173.981 174.802 -0.821 19955 3024 1 4 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.541 -0.265 19955 3025 1 4 . 1 1 908 908 ARG CB C 908 34.589 34.589 33.907 0.682 19955 3026 1 4 . 1 1 908 908 ARG H H 908 8.694 8.694 8.725 -0.031 19955 3027 1 4 . 1 1 909 909 ILE N N 909 124.579 124.579 121.610 2.969 19955 3028 1 4 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.520 0.399 19955 3029 1 4 . 1 1 909 909 ILE C C 909 175.024 175.024 175.910 -0.886 19955 3030 1 4 . 1 1 909 909 ILE CA C 909 56.699 56.699 59.511 -2.812 19955 3031 1 4 . 1 1 909 909 ILE CB C 909 35.387 35.387 37.938 -2.551 19955 3032 1 4 . 1 1 909 909 ILE H H 909 7.757 7.757 8.186 -0.429 19955 3033 1 4 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.269 0.360 19955 3034 1 4 . 1 1 910 910 PRO C C 910 176.353 176.353 177.396 -1.043 19955 3035 1 4 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.904 -12.106 19955 3036 1 4 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.742 -1.334 19955 3037 1 4 . 1 1 911 911 GLY N N 911 118.118 118.118 101.915 16.203 19955 3038 1 4 . 1 1 911 911 GLY C C 911 173.987 173.987 174.724 -0.737 19955 3039 1 4 . 1 1 911 911 GLY CA C 911 45.332 45.332 44.758 0.574 19955 3040 1 4 . 1 1 911 911 GLY H H 911 7.869 7.869 8.090 -0.221 19955 3041 1 4 . 1 1 912 912 THR N N 912 109.041 109.041 111.799 -2.758 19955 3042 1 4 . 1 1 912 912 THR HA H 912 4.469 4.469 3.916 0.553 19955 3043 1 4 . 1 1 912 912 THR C C 912 174.144 174.144 175.224 -1.080 19955 3044 1 4 . 1 1 912 912 THR CA C 912 60.194 60.194 63.991 -3.797 19955 3045 1 4 . 1 1 912 912 THR CB C 912 72.812 72.812 66.963 5.849 19955 3046 1 4 . 1 1 912 912 THR H H 912 7.743 7.743 8.234 -0.491 19955 3047 1 4 . 1 1 913 913 SER N N 913 126.292 126.292 115.217 11.075 19955 3048 1 4 . 1 1 913 913 SER HA H 913 4.671 4.671 4.199 0.472 19955 3049 1 4 . 1 1 913 913 SER C C 913 174.781 174.781 174.355 0.426 19955 3050 1 4 . 1 1 913 913 SER CA C 913 57.411 57.411 59.990 -2.579 19955 3051 1 4 . 1 1 913 913 SER CB C 913 63.258 63.258 63.772 -0.514 19955 3052 1 4 . 1 1 913 913 SER H H 913 7.896 7.896 8.386 -0.490 19955 3053 1 4 . 1 1 914 914 ARG N N 914 124.284 124.284 119.539 4.745 19955 3054 1 4 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.622 -0.369 19955 3055 1 4 . 1 1 914 914 ARG C C 914 174.712 174.712 173.864 0.848 19955 3056 1 4 . 1 1 914 914 ARG CA C 914 56.960 56.960 55.502 1.458 19955 3057 1 4 . 1 1 914 914 ARG CB C 914 30.694 30.694 33.706 -3.011 19955 3058 1 4 . 1 1 914 914 ARG H H 914 8.631 8.631 8.018 0.613 19955 3059 1 4 . 1 1 915 915 GLN N N 915 124.297 124.297 121.594 2.703 19955 3060 1 4 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.216 0.165 19955 3061 1 4 . 1 1 915 915 GLN C C 915 174.377 174.377 174.176 0.201 19955 3062 1 4 . 1 1 915 915 GLN CA C 915 55.566 55.566 55.014 0.552 19955 3063 1 4 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.610 -1.604 19955 3064 1 4 . 1 1 915 915 GLN H H 915 8.054 8.054 8.718 -0.664 19955 3065 1 4 . 1 1 916 916 GLY N N 916 112.028 112.028 110.659 1.369 19955 3066 1 4 . 1 1 916 916 GLY C C 916 172.185 172.185 171.538 0.647 19955 3067 1 4 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.718 -0.471 19955 3068 1 4 . 1 1 916 916 GLY H H 916 8.818 8.818 8.820 -0.002 19955 3069 1 4 . 1 1 917 917 ILE N N 917 113.634 113.634 116.032 -2.398 19955 3070 1 4 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.546 1.482 19955 3071 1 4 . 1 1 917 917 ILE C C 917 176.584 176.584 173.812 2.772 19955 3072 1 4 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.399 1.580 19955 3073 1 4 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.722 0.502 19955 3074 1 4 . 1 1 917 917 ILE H H 917 8.714 8.714 7.633 1.081 19955 3075 1 4 . 1 1 918 918 PHE N N 918 115.806 115.806 117.711 -1.905 19955 3076 1 4 . 1 1 918 918 PHE C C 918 170.959 170.959 172.866 -1.907 19955 3077 1 4 . 1 1 918 918 PHE CA C 918 55.619 55.619 54.767 0.851 19955 3078 1 4 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.967 -1.345 19955 3079 1 4 . 1 1 918 918 PHE H H 918 8.573 8.573 7.277 1.296 19955 3080 1 4 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.438 -0.338 19955 3081 1 4 . 1 1 919 919 PRO C C 919 178.655 178.655 177.564 1.091 19955 3082 1 4 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.959 -0.961 19955 3083 1 4 . 1 1 919 919 PRO CB C 919 31.210 31.210 32.008 -0.798 19955 3084 1 4 . 1 1 920 920 ILE N N 920 123.677 123.677 123.524 0.153 19955 3085 1 4 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.796 -0.105 19955 3086 1 4 . 1 1 920 920 ILE C C 920 176.798 176.798 178.034 -1.236 19955 3087 1 4 . 1 1 920 920 ILE CA C 920 63.373 63.373 64.903 -1.530 19955 3088 1 4 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.663 1.188 19955 3089 1 4 . 1 1 920 920 ILE H H 920 7.949 7.949 8.178 -0.229 19955 3090 1 4 . 1 1 921 921 THR N N 921 106.993 106.993 114.608 -7.615 19955 3091 1 4 . 1 1 921 921 THR HA H 921 4.294 4.294 3.919 0.375 19955 3092 1 4 . 1 1 921 921 THR C C 921 175.639 175.639 175.321 0.318 19955 3093 1 4 . 1 1 921 921 THR CA C 921 62.983 62.983 66.774 -3.791 19955 3094 1 4 . 1 1 921 921 THR CB C 921 69.104 69.104 68.923 0.181 19955 3095 1 4 . 1 1 921 921 THR H H 921 7.500 7.500 8.248 -0.748 19955 3096 1 4 . 1 1 922 922 TYR N N 922 118.600 118.600 119.522 -0.922 19955 3097 1 4 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.540 0.100 19955 3098 1 4 . 1 1 922 922 TYR C C 922 175.481 175.481 174.289 1.192 19955 3099 1 4 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.849 1.599 19955 3100 1 4 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.355 0.245 19955 3101 1 4 . 1 1 922 922 TYR H H 922 7.836 7.836 7.814 0.022 19955 3102 1 4 . 1 1 923 923 VAL N N 923 109.058 109.058 111.578 -2.520 19955 3103 1 4 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.417 0.542 19955 3104 1 4 . 1 1 923 923 VAL C C 923 172.905 172.905 174.316 -1.411 19955 3105 1 4 . 1 1 923 923 VAL CA C 923 58.490 58.490 58.948 -0.458 19955 3106 1 4 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.279 0.008 19955 3107 1 4 . 1 1 923 923 VAL H H 923 7.701 7.701 7.169 0.532 19955 3108 1 4 . 1 1 924 924 ASP N N 924 120.115 120.115 122.127 -2.012 19955 3109 1 4 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.814 0.120 19955 3110 1 4 . 1 1 924 924 ASP C C 924 175.863 175.863 175.289 0.574 19955 3111 1 4 . 1 1 924 924 ASP CA C 924 52.934 52.934 52.053 0.881 19955 3112 1 4 . 1 1 924 924 ASP CB C 924 42.263 42.263 43.271 -1.008 19955 3113 1 4 . 1 1 924 924 ASP H H 924 8.658 8.658 8.449 0.209 19955 3114 1 4 . 1 1 925 925 VAL N N 925 125.090 125.090 126.173 -1.083 19955 3115 1 4 . 1 1 925 925 VAL HA H 925 3.679 3.679 3.874 -0.195 19955 3116 1 4 . 1 1 925 925 VAL C C 925 175.620 175.620 175.677 -0.057 19955 3117 1 4 . 1 1 925 925 VAL CA C 925 64.215 64.215 62.976 1.239 19955 3118 1 4 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.999 -0.278 19955 3119 1 4 . 1 1 925 925 VAL H H 925 8.911 8.911 8.623 0.288 19955 3120 1 4 . 1 1 926 926 ILE N N 926 129.390 129.390 127.316 2.074 19955 3121 1 4 . 1 1 926 926 ILE HA H 926 4.037 4.037 4.160 -0.123 19955 3122 1 4 . 1 1 926 926 ILE C C 926 175.683 175.683 176.505 -0.822 19955 3123 1 4 . 1 1 926 926 ILE CA C 926 61.578 61.578 61.627 -0.049 19955 3124 1 4 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.198 0.349 19955 3125 1 4 . 1 1 926 926 ILE H H 926 8.519 8.519 8.178 0.341 19955 3126 1 4 . 1 1 927 927 LYS N N 927 122.060 122.060 119.309 2.751 19955 3127 1 4 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.535 0.077 19955 3128 1 4 . 1 1 927 927 LYS C C 927 175.204 175.204 175.472 -0.268 19955 3129 1 4 . 1 1 927 927 LYS CA C 927 55.597 55.597 54.805 0.792 19955 3130 1 4 . 1 1 927 927 LYS CB C 927 35.633 35.633 34.862 0.770 19955 3131 1 4 . 1 1 927 927 LYS H H 927 8.017 8.017 7.479 0.538 19955 3132 1 4 . 1 1 928 928 ARG N N 928 126.441 126.441 123.424 3.017 19955 3133 1 4 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.337 0.090 19955 3134 1 4 . 1 1 928 928 ARG C C 928 173.959 173.959 175.954 -1.995 19955 3135 1 4 . 1 1 928 928 ARG CA C 928 55.488 55.488 55.263 0.225 19955 3136 1 4 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.491 0.222 19955 3137 1 4 . 1 1 928 928 ARG H H 928 8.729 8.729 8.687 0.042 19955 3138 1 4 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.317 0.196 19955 3139 1 4 . 1 1 929 929 PRO CA C 929 62.718 62.718 64.159 -1.441 19955 3140 1 4 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.064 -0.448 19955 3141 1 5 . 1 1 790 790 MET HA H 790 4.396 4.396 4.224 0.172 19955 3142 1 5 . 1 1 790 790 MET CA C 790 55.378 55.378 56.001 -0.623 19955 3143 1 5 . 1 1 790 790 MET CB C 790 32.960 32.960 32.638 0.322 19955 3144 1 5 . 1 1 791 791 SER N N 791 118.373 118.373 115.207 3.166 19955 3145 1 5 . 1 1 791 791 SER HA H 791 4.362 4.362 4.280 0.082 19955 3146 1 5 . 1 1 791 791 SER C C 791 175.043 175.043 174.753 0.290 19955 3147 1 5 . 1 1 791 791 SER CA C 791 58.532 58.532 58.651 -0.119 19955 3148 1 5 . 1 1 791 791 SER CB C 791 63.749 63.749 63.962 -0.213 19955 3149 1 5 . 1 1 791 791 SER H H 791 8.657 8.657 7.386 1.271 19955 3150 1 5 . 1 1 792 792 GLY N N 792 111.254 111.254 110.333 0.921 19955 3151 1 5 . 1 1 792 792 GLY C C 792 174.362 174.362 174.250 0.112 19955 3152 1 5 . 1 1 792 792 GLY CA C 792 45.539 45.539 45.097 0.442 19955 3153 1 5 . 1 1 792 792 GLY H H 792 8.560 8.560 8.346 0.214 19955 3154 1 5 . 1 1 793 793 SER N N 793 115.369 115.369 117.299 -1.930 19955 3155 1 5 . 1 1 793 793 SER HA H 793 4.409 4.409 4.550 -0.141 19955 3156 1 5 . 1 1 793 793 SER C C 793 174.396 174.396 174.401 -0.005 19955 3157 1 5 . 1 1 793 793 SER CA C 793 58.485 58.485 59.067 -0.582 19955 3158 1 5 . 1 1 793 793 SER CB C 793 63.845 63.845 64.038 -0.193 19955 3159 1 5 . 1 1 793 793 SER H H 793 8.102 8.102 7.904 0.198 19955 3160 1 5 . 1 1 794 794 GLU N N 794 122.660 122.660 126.497 -3.837 19955 3161 1 5 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.779 -0.569 19955 3162 1 5 . 1 1 794 794 GLU C C 794 175.970 175.970 175.190 0.780 19955 3163 1 5 . 1 1 794 794 GLU CA C 794 56.849 56.849 55.633 1.216 19955 3164 1 5 . 1 1 794 794 GLU CB C 794 30.261 30.261 30.701 -0.440 19955 3165 1 5 . 1 1 794 794 GLU H H 794 8.565 8.565 8.687 -0.122 19955 3166 1 5 . 1 1 795 795 MET N N 795 119.544 119.544 118.871 0.673 19955 3167 1 5 . 1 1 795 795 MET HA H 795 4.653 4.653 5.354 -0.701 19955 3168 1 5 . 1 1 795 795 MET C C 795 175.590 175.590 174.893 0.697 19955 3169 1 5 . 1 1 795 795 MET CA C 795 55.135 55.135 55.031 0.104 19955 3170 1 5 . 1 1 795 795 MET CB C 795 32.378 32.378 36.493 -4.115 19955 3171 1 5 . 1 1 795 795 MET H H 795 8.156 8.156 8.660 -0.504 19955 3172 1 5 . 1 1 796 796 ARG N N 796 122.177 122.177 119.746 2.431 19955 3173 1 5 . 1 1 796 796 ARG HA H 796 4.911 4.911 5.030 -0.119 19955 3174 1 5 . 1 1 796 796 ARG C C 796 173.378 173.378 173.878 -0.500 19955 3175 1 5 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.192 -0.257 19955 3176 1 5 . 1 1 796 796 ARG CB C 796 32.172 32.172 32.986 -0.814 19955 3177 1 5 . 1 1 796 796 ARG H H 796 8.358 8.358 8.623 -0.265 19955 3178 1 5 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.237 0.459 19955 3179 1 5 . 1 1 797 797 PRO C C 797 175.805 175.805 175.366 0.439 19955 3180 1 5 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.396 -0.239 19955 3181 1 5 . 1 1 797 797 PRO CB C 797 32.377 32.377 32.387 -0.010 19955 3182 1 5 . 1 1 798 798 ALA N N 798 123.383 123.383 122.401 0.982 19955 3183 1 5 . 1 1 798 798 ALA HA H 798 4.699 4.699 5.052 -0.353 19955 3184 1 5 . 1 1 798 798 ALA C C 798 173.534 173.534 174.960 -1.426 19955 3185 1 5 . 1 1 798 798 ALA CA C 798 50.823 50.823 50.681 0.143 19955 3186 1 5 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.270 0.453 19955 3187 1 5 . 1 1 798 798 ALA H H 798 8.820 8.820 8.035 0.785 19955 3188 1 5 . 1 1 799 799 ARG N N 799 118.968 118.968 120.927 -1.959 19955 3189 1 5 . 1 1 799 799 ARG HA H 799 5.341 5.341 5.276 0.065 19955 3190 1 5 . 1 1 799 799 ARG C C 799 176.215 176.215 174.892 1.323 19955 3191 1 5 . 1 1 799 799 ARG CA C 799 53.122 53.122 53.923 -0.801 19955 3192 1 5 . 1 1 799 799 ARG CB C 799 34.439 34.439 34.106 0.333 19955 3193 1 5 . 1 1 799 799 ARG H H 799 8.803 8.803 8.098 0.705 19955 3194 1 5 . 1 1 800 800 ALA N N 800 128.073 128.073 129.380 -1.307 19955 3195 1 5 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.687 -0.150 19955 3196 1 5 . 1 1 800 800 ALA C C 800 178.146 178.146 175.759 2.387 19955 3197 1 5 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.661 0.547 19955 3198 1 5 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.577 -0.923 19955 3199 1 5 . 1 1 800 800 ALA H H 800 9.037 9.037 8.901 0.136 19955 3200 1 5 . 1 1 801 801 LYS N N 801 127.334 127.334 124.814 2.520 19955 3201 1 5 . 1 1 801 801 LYS HA H 801 3.758 3.758 3.940 -0.182 19955 3202 1 5 . 1 1 801 801 LYS C C 801 174.213 174.213 175.110 -0.897 19955 3203 1 5 . 1 1 801 801 LYS CA C 801 57.344 57.344 56.218 1.126 19955 3204 1 5 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.009 0.638 19955 3205 1 5 . 1 1 801 801 LYS H H 801 9.291 9.291 8.289 1.002 19955 3206 1 5 . 1 1 802 802 PHE N N 802 111.696 111.696 117.623 -5.927 19955 3207 1 5 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.504 0.237 19955 3208 1 5 . 1 1 802 802 PHE C C 802 173.408 173.408 174.145 -0.737 19955 3209 1 5 . 1 1 802 802 PHE CA C 802 53.369 53.369 55.732 -2.363 19955 3210 1 5 . 1 1 802 802 PHE CB C 802 43.242 43.242 41.822 1.420 19955 3211 1 5 . 1 1 802 802 PHE H H 802 7.069 7.069 7.347 -0.278 19955 3212 1 5 . 1 1 803 803 ASP N N 803 117.498 117.498 121.102 -3.604 19955 3213 1 5 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.569 -0.045 19955 3214 1 5 . 1 1 803 803 ASP C C 803 175.782 175.782 175.039 0.743 19955 3215 1 5 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.525 1.201 19955 3216 1 5 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.501 -0.347 19955 3217 1 5 . 1 1 803 803 ASP H H 803 8.339 8.339 8.581 -0.242 19955 3218 1 5 . 1 1 804 804 PHE N N 804 123.264 123.264 121.371 1.893 19955 3219 1 5 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.854 0.138 19955 3220 1 5 . 1 1 804 804 PHE C C 804 173.750 173.750 174.106 -0.356 19955 3221 1 5 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.278 -0.057 19955 3222 1 5 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.563 -0.431 19955 3223 1 5 . 1 1 804 804 PHE H H 804 9.223 9.223 9.101 0.122 19955 3224 1 5 . 1 1 805 805 LYS N N 805 129.548 129.548 129.208 0.340 19955 3225 1 5 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.402 -0.281 19955 3226 1 5 . 1 1 805 805 LYS C C 805 174.042 174.042 175.171 -1.129 19955 3227 1 5 . 1 1 805 805 LYS CA C 805 54.368 54.368 55.865 -1.497 19955 3228 1 5 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.206 -1.425 19955 3229 1 5 . 1 1 805 805 LYS H H 805 8.125 8.125 8.806 -0.681 19955 3230 1 5 . 1 1 806 806 ALA N N 806 127.231 127.231 127.280 -0.049 19955 3231 1 5 . 1 1 806 806 ALA HA H 806 3.882 3.882 3.923 -0.041 19955 3232 1 5 . 1 1 806 806 ALA C C 806 178.066 178.066 177.367 0.699 19955 3233 1 5 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.219 -0.621 19955 3234 1 5 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.320 1.185 19955 3235 1 5 . 1 1 806 806 ALA H H 806 7.291 7.291 8.323 -1.032 19955 3236 1 5 . 1 1 807 807 GLN N N 807 121.482 121.482 121.462 0.020 19955 3237 1 5 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.509 -0.183 19955 3238 1 5 . 1 1 807 807 GLN C C 807 175.927 175.927 176.249 -0.322 19955 3239 1 5 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.315 -0.108 19955 3240 1 5 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.999 0.943 19955 3241 1 5 . 1 1 807 807 GLN H H 807 9.375 9.375 9.040 0.335 19955 3242 1 5 . 1 1 808 808 THR N N 808 108.842 108.842 110.186 -1.344 19955 3243 1 5 . 1 1 808 808 THR HA H 808 4.661 4.661 4.593 0.068 19955 3244 1 5 . 1 1 808 808 THR C C 808 175.262 175.262 174.278 0.984 19955 3245 1 5 . 1 1 808 808 THR CA C 808 59.313 59.313 60.532 -1.219 19955 3246 1 5 . 1 1 808 808 THR CB C 808 71.810 71.810 71.031 0.779 19955 3247 1 5 . 1 1 808 808 THR H H 808 7.472 7.472 7.404 0.068 19955 3248 1 5 . 1 1 809 809 LEU N N 809 119.518 119.518 120.405 -0.887 19955 3249 1 5 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.119 0.081 19955 3250 1 5 . 1 1 809 809 LEU C C 809 177.895 177.895 177.913 -0.018 19955 3251 1 5 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.192 -0.105 19955 3252 1 5 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.954 -0.053 19955 3253 1 5 . 1 1 809 809 LEU H H 809 8.387 8.387 8.342 0.045 19955 3254 1 5 . 1 1 810 810 LYS N N 810 115.587 115.587 116.017 -0.430 19955 3255 1 5 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.029 0.201 19955 3256 1 5 . 1 1 810 810 LYS C C 810 177.172 177.172 177.181 -0.009 19955 3257 1 5 . 1 1 810 810 LYS CA C 810 56.807 56.807 58.142 -1.335 19955 3258 1 5 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.467 0.592 19955 3259 1 5 . 1 1 810 810 LYS H H 810 7.707 7.707 8.053 -0.346 19955 3260 1 5 . 1 1 811 811 GLU N N 811 119.522 119.522 116.828 2.694 19955 3261 1 5 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.407 0.292 19955 3262 1 5 . 1 1 811 811 GLU C C 811 174.240 174.240 175.316 -1.076 19955 3263 1 5 . 1 1 811 811 GLU CA C 811 55.419 55.419 55.899 -0.480 19955 3264 1 5 . 1 1 811 811 GLU CB C 811 32.354 32.354 31.168 1.186 19955 3265 1 5 . 1 1 811 811 GLU H H 811 7.244 7.244 7.326 -0.082 19955 3266 1 5 . 1 1 812 812 LEU N N 812 126.910 126.910 118.840 8.070 19955 3267 1 5 . 1 1 812 812 LEU C C 812 172.269 172.269 174.217 -1.948 19955 3268 1 5 . 1 1 812 812 LEU CA C 812 50.511 50.511 50.902 -0.391 19955 3269 1 5 . 1 1 812 812 LEU CB C 812 45.092 45.092 43.063 2.029 19955 3270 1 5 . 1 1 812 812 LEU H H 812 9.168 9.168 8.050 1.118 19955 3271 1 5 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.839 -0.402 19955 3272 1 5 . 1 1 813 813 PRO C C 813 176.755 176.755 175.562 1.193 19955 3273 1 5 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.383 0.163 19955 3274 1 5 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.571 -0.595 19955 3275 1 5 . 1 1 814 814 LEU N N 814 118.726 118.726 121.713 -2.987 19955 3276 1 5 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.705 -0.059 19955 3277 1 5 . 1 1 814 814 LEU C C 814 176.452 176.452 175.202 1.250 19955 3278 1 5 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.626 -0.235 19955 3279 1 5 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.609 0.287 19955 3280 1 5 . 1 1 814 814 LEU H H 814 8.532 8.532 8.699 -0.167 19955 3281 1 5 . 1 1 815 815 GLN N N 815 123.473 123.473 121.977 1.496 19955 3282 1 5 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.591 0.160 19955 3283 1 5 . 1 1 815 815 GLN C C 815 174.820 174.820 175.785 -0.965 19955 3284 1 5 . 1 1 815 815 GLN CA C 815 53.336 53.336 54.072 -0.736 19955 3285 1 5 . 1 1 815 815 GLN CB C 815 31.094 31.094 30.924 0.170 19955 3286 1 5 . 1 1 815 815 GLN H H 815 8.938 8.938 8.764 0.174 19955 3287 1 5 . 1 1 816 816 LYS N N 816 122.982 122.982 125.866 -2.884 19955 3288 1 5 . 1 1 816 816 LYS HA H 816 3.115 3.115 4.104 -0.989 19955 3289 1 5 . 1 1 816 816 LYS C C 816 177.030 177.030 175.831 1.199 19955 3290 1 5 . 1 1 816 816 LYS CA C 816 58.676 58.676 56.894 1.782 19955 3291 1 5 . 1 1 816 816 LYS CB C 816 32.242 32.242 30.532 1.710 19955 3292 1 5 . 1 1 816 816 LYS H H 816 8.888 8.888 8.995 -0.107 19955 3293 1 5 . 1 1 817 817 GLY N N 817 115.370 115.370 107.448 7.922 19955 3294 1 5 . 1 1 817 817 GLY C C 817 174.271 174.271 173.456 0.815 19955 3295 1 5 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.969 -0.308 19955 3296 1 5 . 1 1 817 817 GLY H H 817 8.870 8.870 8.300 0.570 19955 3297 1 5 . 1 1 818 818 ASP N N 818 123.102 123.102 120.790 2.312 19955 3298 1 5 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.919 -0.590 19955 3299 1 5 . 1 1 818 818 ASP C C 818 175.076 175.076 174.607 0.469 19955 3300 1 5 . 1 1 818 818 ASP CA C 818 55.595 55.595 52.189 3.406 19955 3301 1 5 . 1 1 818 818 ASP CB C 818 41.538 41.538 43.099 -1.561 19955 3302 1 5 . 1 1 818 818 ASP H H 818 8.468 8.468 8.019 0.449 19955 3303 1 5 . 1 1 819 819 ILE N N 819 121.053 121.053 120.415 0.638 19955 3304 1 5 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.713 0.107 19955 3305 1 5 . 1 1 819 819 ILE C C 819 175.630 175.630 174.829 0.801 19955 3306 1 5 . 1 1 819 819 ILE CA C 819 58.602 58.602 58.785 -0.183 19955 3307 1 5 . 1 1 819 819 ILE CB C 819 36.541 36.541 38.159 -1.618 19955 3308 1 5 . 1 1 819 819 ILE H H 819 8.286 8.286 8.256 0.030 19955 3309 1 5 . 1 1 820 820 VAL N N 820 124.554 124.554 126.971 -2.417 19955 3310 1 5 . 1 1 820 820 VAL HA H 820 4.679 4.679 4.788 -0.109 19955 3311 1 5 . 1 1 820 820 VAL C C 820 172.751 172.751 173.528 -0.777 19955 3312 1 5 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.972 -1.111 19955 3313 1 5 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.713 -1.341 19955 3314 1 5 . 1 1 820 820 VAL H H 820 8.717 8.717 8.562 0.155 19955 3315 1 5 . 1 1 821 821 TYR N N 821 120.296 120.296 127.603 -7.307 19955 3316 1 5 . 1 1 821 821 TYR HA H 821 4.803 4.803 4.741 0.062 19955 3317 1 5 . 1 1 821 821 TYR C C 821 175.760 175.760 175.702 0.058 19955 3318 1 5 . 1 1 821 821 TYR CA C 821 56.838 56.838 57.353 -0.515 19955 3319 1 5 . 1 1 821 821 TYR CB C 821 40.132 40.132 39.289 0.843 19955 3320 1 5 . 1 1 821 821 TYR H H 821 8.360 8.360 8.541 -0.181 19955 3321 1 5 . 1 1 822 822 ILE N N 822 123.440 123.440 123.008 0.432 19955 3322 1 5 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.377 -0.512 19955 3323 1 5 . 1 1 822 822 ILE C C 822 176.541 176.541 176.108 0.433 19955 3324 1 5 . 1 1 822 822 ILE CA C 822 62.327 62.327 61.633 0.694 19955 3325 1 5 . 1 1 822 822 ILE CB C 822 39.429 39.429 38.627 0.803 19955 3326 1 5 . 1 1 822 822 ILE H H 822 8.991 8.991 8.578 0.413 19955 3327 1 5 . 1 1 823 823 TYR N N 823 127.197 127.197 127.056 0.141 19955 3328 1 5 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.739 0.329 19955 3329 1 5 . 1 1 823 823 TYR C C 823 176.327 176.327 176.336 -0.009 19955 3330 1 5 . 1 1 823 823 TYR CA C 823 56.331 56.331 58.862 -2.531 19955 3331 1 5 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.227 -1.942 19955 3332 1 5 . 1 1 823 823 TYR H H 823 9.699 9.699 8.708 0.991 19955 3333 1 5 . 1 1 824 824 LYS N N 824 113.691 113.691 116.742 -3.051 19955 3334 1 5 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.627 0.037 19955 3335 1 5 . 1 1 824 824 LYS C C 824 174.044 174.044 174.170 -0.126 19955 3336 1 5 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.074 0.227 19955 3337 1 5 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.728 0.376 19955 3338 1 5 . 1 1 824 824 LYS H H 824 7.904 7.904 7.703 0.201 19955 3339 1 5 . 1 1 825 825 GLN N N 825 122.998 122.998 121.622 1.376 19955 3340 1 5 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.023 0.591 19955 3341 1 5 . 1 1 825 825 GLN C C 825 175.372 175.372 175.021 0.351 19955 3342 1 5 . 1 1 825 825 GLN CA C 825 55.970 55.970 55.951 0.019 19955 3343 1 5 . 1 1 825 825 GLN CB C 825 29.014 29.014 28.942 0.072 19955 3344 1 5 . 1 1 825 825 GLN H H 825 9.091 9.091 8.623 0.468 19955 3345 1 5 . 1 1 826 826 ILE N N 826 126.911 126.911 127.327 -0.416 19955 3346 1 5 . 1 1 826 826 ILE HA H 826 3.950 3.950 3.955 -0.005 19955 3347 1 5 . 1 1 826 826 ILE C C 826 175.447 175.447 176.532 -1.085 19955 3348 1 5 . 1 1 826 826 ILE CA C 826 62.062 62.062 62.568 -0.506 19955 3349 1 5 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.059 0.120 19955 3350 1 5 . 1 1 826 826 ILE H H 826 8.356 8.356 8.230 0.126 19955 3351 1 5 . 1 1 827 827 ASP N N 827 118.575 118.575 115.918 2.657 19955 3352 1 5 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.889 -0.470 19955 3353 1 5 . 1 1 827 827 ASP C C 827 175.673 175.673 176.832 -1.159 19955 3354 1 5 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.667 0.588 19955 3355 1 5 . 1 1 827 827 ASP CB C 827 40.120 40.120 42.998 -2.878 19955 3356 1 5 . 1 1 827 827 ASP H H 827 7.952 7.952 7.743 0.209 19955 3357 1 5 . 1 1 828 828 GLN N N 828 113.633 113.633 118.565 -4.932 19955 3358 1 5 . 1 1 828 828 GLN HA H 828 3.872 3.872 3.978 -0.106 19955 3359 1 5 . 1 1 828 828 GLN C C 828 175.745 175.745 176.057 -0.312 19955 3360 1 5 . 1 1 828 828 GLN CA C 828 58.261 58.261 59.547 -1.286 19955 3361 1 5 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.912 -0.414 19955 3362 1 5 . 1 1 828 828 GLN H H 828 8.468 8.468 8.686 -0.218 19955 3363 1 5 . 1 1 829 829 ASN N N 829 114.412 114.412 114.776 -0.364 19955 3364 1 5 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.970 -0.228 19955 3365 1 5 . 1 1 829 829 ASN C C 829 175.652 175.652 173.928 1.724 19955 3366 1 5 . 1 1 829 829 ASN CA C 829 53.641 53.641 52.634 1.007 19955 3367 1 5 . 1 1 829 829 ASN CB C 829 41.815 41.815 38.752 3.063 19955 3368 1 5 . 1 1 829 829 ASN H H 829 8.799 8.799 8.721 0.078 19955 3369 1 5 . 1 1 830 830 TRP N N 830 121.661 121.661 120.273 1.388 19955 3370 1 5 . 1 1 830 830 TRP HA H 830 4.810 4.810 5.122 -0.312 19955 3371 1 5 . 1 1 830 830 TRP C C 830 175.077 175.077 175.014 0.063 19955 3372 1 5 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.784 0.506 19955 3373 1 5 . 1 1 830 830 TRP CB C 830 32.570 32.570 33.056 -0.486 19955 3374 1 5 . 1 1 830 830 TRP H H 830 8.033 8.033 7.588 0.445 19955 3375 1 5 . 1 1 831 831 TYR N N 831 120.163 120.163 119.885 0.278 19955 3376 1 5 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.699 0.346 19955 3377 1 5 . 1 1 831 831 TYR C C 831 173.672 173.672 173.068 0.604 19955 3378 1 5 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.958 -0.586 19955 3379 1 5 . 1 1 831 831 TYR CB C 831 42.726 42.726 43.390 -0.664 19955 3380 1 5 . 1 1 831 831 TYR H H 831 8.721 8.721 9.145 -0.424 19955 3381 1 5 . 1 1 832 832 GLU N N 832 117.935 117.935 121.033 -3.098 19955 3382 1 5 . 1 1 832 832 GLU HA H 832 4.937 4.937 5.032 -0.095 19955 3383 1 5 . 1 1 832 832 GLU C C 832 176.121 176.121 175.024 1.097 19955 3384 1 5 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.183 0.221 19955 3385 1 5 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.809 0.146 19955 3386 1 5 . 1 1 832 832 GLU H H 832 8.696 8.696 8.172 0.524 19955 3387 1 5 . 1 1 833 833 GLY N N 833 115.171 115.171 112.047 3.124 19955 3388 1 5 . 1 1 833 833 GLY C C 833 168.962 168.962 172.007 -3.045 19955 3389 1 5 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.381 1.242 19955 3390 1 5 . 1 1 833 833 GLY H H 833 9.063 9.063 8.275 0.788 19955 3391 1 5 . 1 1 834 834 GLU N N 834 117.849 117.849 119.903 -2.054 19955 3392 1 5 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.565 0.124 19955 3393 1 5 . 1 1 834 834 GLU C C 834 175.077 175.077 174.865 0.212 19955 3394 1 5 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.610 -0.644 19955 3395 1 5 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.698 1.346 19955 3396 1 5 . 1 1 834 834 GLU H H 834 8.708 8.708 8.747 -0.039 19955 3397 1 5 . 1 1 835 835 HIS N N 835 120.973 120.973 125.364 -4.391 19955 3398 1 5 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.040 -0.206 19955 3399 1 5 . 1 1 835 835 HIS C C 835 174.509 174.509 174.638 -0.129 19955 3400 1 5 . 1 1 835 835 HIS CA C 835 56.249 56.249 57.173 -0.924 19955 3401 1 5 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.513 0.698 19955 3402 1 5 . 1 1 835 835 HIS H H 835 8.799 8.799 9.307 -0.508 19955 3403 1 5 . 1 1 836 836 HIS N N 836 125.728 125.728 126.636 -0.908 19955 3404 1 5 . 1 1 836 836 HIS HA H 836 4.166 4.166 3.971 0.195 19955 3405 1 5 . 1 1 836 836 HIS C C 836 175.012 175.012 174.931 0.081 19955 3406 1 5 . 1 1 836 836 HIS CA C 836 55.689 55.689 56.217 -0.528 19955 3407 1 5 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.733 -0.739 19955 3408 1 5 . 1 1 836 836 HIS H H 836 9.163 9.163 8.807 0.356 19955 3409 1 5 . 1 1 837 837 GLY N N 837 104.909 104.909 103.579 1.330 19955 3410 1 5 . 1 1 837 837 GLY C C 837 173.235 173.235 173.957 -0.722 19955 3411 1 5 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.225 0.429 19955 3412 1 5 . 1 1 837 837 GLY H H 837 9.070 9.070 8.589 0.481 19955 3413 1 5 . 1 1 838 838 ARG N N 838 122.925 122.925 118.861 4.064 19955 3414 1 5 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.794 -0.201 19955 3415 1 5 . 1 1 838 838 ARG C C 838 173.682 173.682 173.852 -0.170 19955 3416 1 5 . 1 1 838 838 ARG CA C 838 54.881 54.881 55.041 -0.160 19955 3417 1 5 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.818 -1.760 19955 3418 1 5 . 1 1 838 838 ARG H H 838 7.814 7.814 7.959 -0.145 19955 3419 1 5 . 1 1 839 839 VAL N N 839 123.572 123.572 121.679 1.893 19955 3420 1 5 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.341 -0.207 19955 3421 1 5 . 1 1 839 839 VAL C C 839 177.296 177.296 174.438 2.858 19955 3422 1 5 . 1 1 839 839 VAL CA C 839 60.200 60.200 59.970 0.230 19955 3423 1 5 . 1 1 839 839 VAL CB C 839 33.994 33.994 34.824 -0.830 19955 3424 1 5 . 1 1 839 839 VAL H H 839 8.360 8.360 8.517 -0.157 19955 3425 1 5 . 1 1 840 840 GLY N N 840 114.006 114.006 115.143 -1.137 19955 3426 1 5 . 1 1 840 840 GLY C C 840 171.246 171.246 172.142 -0.896 19955 3427 1 5 . 1 1 840 840 GLY CA C 840 45.896 45.896 45.203 0.693 19955 3428 1 5 . 1 1 840 840 GLY H H 840 8.951 8.951 8.214 0.737 19955 3429 1 5 . 1 1 841 841 ILE N N 841 112.496 112.496 116.664 -4.168 19955 3430 1 5 . 1 1 841 841 ILE HA H 841 5.881 5.881 5.223 0.658 19955 3431 1 5 . 1 1 841 841 ILE C C 841 176.120 176.120 174.200 1.920 19955 3432 1 5 . 1 1 841 841 ILE CA C 841 59.367 59.367 59.117 0.250 19955 3433 1 5 . 1 1 841 841 ILE CB C 841 40.917 40.917 42.024 -1.107 19955 3434 1 5 . 1 1 841 841 ILE H H 841 8.434 8.434 7.989 0.445 19955 3435 1 5 . 1 1 842 842 PHE N N 842 116.289 116.289 116.886 -0.597 19955 3436 1 5 . 1 1 842 842 PHE HA H 842 4.971 4.971 5.504 -0.533 19955 3437 1 5 . 1 1 842 842 PHE C C 842 171.777 171.777 172.536 -0.759 19955 3438 1 5 . 1 1 842 842 PHE CA C 842 54.265 54.265 55.540 -1.275 19955 3439 1 5 . 1 1 842 842 PHE CB C 842 37.515 37.515 39.992 -2.477 19955 3440 1 5 . 1 1 842 842 PHE H H 842 8.408 8.408 8.517 -0.109 19955 3441 1 5 . 1 1 843 843 PRO HA H 843 3.934 3.934 4.087 -0.153 19955 3442 1 5 . 1 1 843 843 PRO C C 843 178.228 178.228 177.898 0.330 19955 3443 1 5 . 1 1 843 843 PRO CA C 843 61.613 61.613 61.824 -0.211 19955 3444 1 5 . 1 1 843 843 PRO CB C 843 31.395 31.395 32.150 -0.755 19955 3445 1 5 . 1 1 844 844 ARG N N 844 122.291 122.291 123.922 -1.631 19955 3446 1 5 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.001 -0.057 19955 3447 1 5 . 1 1 844 844 ARG C C 844 178.171 178.171 178.137 0.034 19955 3448 1 5 . 1 1 844 844 ARG CA C 844 58.618 58.618 60.061 -1.443 19955 3449 1 5 . 1 1 844 844 ARG CB C 844 30.297 30.297 30.297 0.000 19955 3450 1 5 . 1 1 844 844 ARG H H 844 7.906 7.906 8.618 -0.712 19955 3451 1 5 . 1 1 845 845 THR N N 845 105.068 105.068 111.785 -6.717 19955 3452 1 5 . 1 1 845 845 THR HA H 845 4.159 4.159 4.122 0.037 19955 3453 1 5 . 1 1 845 845 THR C C 845 175.363 175.363 175.139 0.224 19955 3454 1 5 . 1 1 845 845 THR CA C 845 63.035 63.035 64.684 -1.649 19955 3455 1 5 . 1 1 845 845 THR CB C 845 69.022 69.022 67.968 1.054 19955 3456 1 5 . 1 1 845 845 THR H H 845 7.907 7.907 8.400 -0.493 19955 3457 1 5 . 1 1 846 846 TYR N N 846 118.977 118.977 118.794 0.183 19955 3458 1 5 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.729 -0.194 19955 3459 1 5 . 1 1 846 846 TYR C C 846 174.917 174.917 174.657 0.260 19955 3460 1 5 . 1 1 846 846 TYR CA C 846 58.751 58.751 58.754 -0.003 19955 3461 1 5 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.476 -1.421 19955 3462 1 5 . 1 1 846 846 TYR H H 846 7.611 7.611 7.776 -0.165 19955 3463 1 5 . 1 1 847 847 ILE N N 847 113.230 113.230 113.214 0.016 19955 3464 1 5 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.071 0.028 19955 3465 1 5 . 1 1 847 847 ILE C C 847 174.141 174.141 174.507 -0.366 19955 3466 1 5 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.352 -0.898 19955 3467 1 5 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.636 -0.445 19955 3468 1 5 . 1 1 847 847 ILE H H 847 7.390 7.390 7.643 -0.253 19955 3469 1 5 . 1 1 848 848 GLU N N 848 121.909 121.909 120.930 0.979 19955 3470 1 5 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.599 -0.051 19955 3471 1 5 . 1 1 848 848 GLU C C 848 175.193 175.193 175.031 0.162 19955 3472 1 5 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.657 -0.993 19955 3473 1 5 . 1 1 848 848 GLU CB C 848 32.624 32.624 32.737 -0.113 19955 3474 1 5 . 1 1 848 848 GLU H H 848 8.786 8.786 8.236 0.550 19955 3475 1 5 . 1 1 849 849 LEU N N 849 126.431 126.431 128.017 -1.586 19955 3476 1 5 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.124 -0.033 19955 3477 1 5 . 1 1 849 849 LEU C C 849 177.019 177.019 176.836 0.183 19955 3478 1 5 . 1 1 849 849 LEU CA C 849 55.667 55.667 55.128 0.539 19955 3479 1 5 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.067 -0.525 19955 3480 1 5 . 1 1 849 849 LEU H H 849 8.730 8.730 8.618 0.112 19955 3481 1 5 . 1 1 850 850 LEU N N 850 123.942 123.942 126.356 -2.414 19955 3482 1 5 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.058 0.504 19955 3483 1 5 . 1 1 850 850 LEU C C 850 174.453 174.453 174.273 0.180 19955 3484 1 5 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.708 -1.903 19955 3485 1 5 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.140 -0.177 19955 3486 1 5 . 1 1 850 850 LEU H H 850 7.846 7.846 8.455 -0.609 19955 3487 1 5 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.278 0.051 19955 3488 1 5 . 1 1 852 852 PRO C C 852 176.580 176.580 176.152 0.428 19955 3489 1 5 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.733 -0.830 19955 3490 1 5 . 1 1 852 852 PRO CB C 852 31.765 31.765 31.975 -0.210 19955 3491 1 5 . 1 1 853 853 ALA N N 853 124.102 124.102 126.476 -2.374 19955 3492 1 5 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.368 -0.128 19955 3493 1 5 . 1 1 853 853 ALA C C 853 177.767 177.767 178.557 -0.790 19955 3494 1 5 . 1 1 853 853 ALA CA C 853 52.258 52.258 52.642 -0.384 19955 3495 1 5 . 1 1 853 853 ALA CB C 853 19.516 19.516 19.175 0.341 19955 3496 1 5 . 1 1 853 853 ALA H H 853 8.354 8.354 8.054 0.300 19955 3497 1 5 . 1 1 854 854 GLU N N 854 120.540 120.540 120.813 -0.273 19955 3498 1 5 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.154 0.049 19955 3499 1 5 . 1 1 854 854 GLU C C 854 176.402 176.402 176.453 -0.051 19955 3500 1 5 . 1 1 854 854 GLU CA C 854 56.380 56.380 58.217 -1.837 19955 3501 1 5 . 1 1 854 854 GLU CB C 854 30.432 30.432 29.375 1.057 19955 3502 1 5 . 1 1 854 854 GLU H H 854 8.348 8.348 8.547 -0.199 19955 3503 1 5 . 1 1 855 855 LYS N N 855 122.717 122.717 117.120 5.597 19955 3504 1 5 . 1 1 855 855 LYS HA H 855 4.215 4.215 3.991 0.224 19955 3505 1 5 . 1 1 855 855 LYS C C 855 176.078 176.078 176.289 -0.211 19955 3506 1 5 . 1 1 855 855 LYS CA C 855 56.018 56.018 56.178 -0.160 19955 3507 1 5 . 1 1 855 855 LYS CB C 855 33.187 33.187 29.456 3.731 19955 3508 1 5 . 1 1 855 855 LYS H H 855 8.305 8.305 8.472 -0.167 19955 3509 1 5 . 1 1 856 856 ALA N N 856 125.584 125.584 119.979 5.605 19955 3510 1 5 . 1 1 856 856 ALA HA H 856 4.241 4.241 3.754 0.487 19955 3511 1 5 . 1 1 856 856 ALA C C 856 177.276 177.276 177.337 -0.061 19955 3512 1 5 . 1 1 856 856 ALA CA C 856 52.046 52.046 53.576 -1.530 19955 3513 1 5 . 1 1 856 856 ALA CB C 856 19.294 19.294 17.713 1.581 19955 3514 1 5 . 1 1 856 856 ALA H H 856 8.219 8.219 8.430 -0.211 19955 3515 1 5 . 1 1 857 857 GLN N N 857 121.223 121.223 117.953 3.270 19955 3516 1 5 . 1 1 857 857 GLN C C 857 173.964 173.964 173.360 0.604 19955 3517 1 5 . 1 1 857 857 GLN CA C 857 53.490 53.490 55.610 -2.120 19955 3518 1 5 . 1 1 857 857 GLN CB C 857 29.040 29.040 26.419 2.620 19955 3519 1 5 . 1 1 857 857 GLN H H 857 8.333 8.333 8.037 0.296 19955 3520 1 5 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.307 0.031 19955 3521 1 5 . 1 1 858 858 PRO C C 858 176.696 176.696 176.499 0.197 19955 3522 1 5 . 1 1 858 858 PRO CA C 858 62.910 62.910 63.647 -0.737 19955 3523 1 5 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.059 0.016 19955 3524 1 5 . 1 1 859 859 LYS N N 859 121.891 121.891 120.170 1.721 19955 3525 1 5 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.513 -0.323 19955 3526 1 5 . 1 1 859 859 LYS C C 859 176.382 176.382 176.717 -0.335 19955 3527 1 5 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.272 -0.142 19955 3528 1 5 . 1 1 859 859 LYS CB C 859 33.070 33.070 32.497 0.573 19955 3529 1 5 . 1 1 859 859 LYS H H 859 8.355 8.355 8.377 -0.022 19955 3530 1 5 . 1 1 860 860 LYS N N 860 123.002 123.002 120.219 2.783 19955 3531 1 5 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.293 -0.048 19955 3532 1 5 . 1 1 860 860 LYS C C 860 176.131 176.131 175.364 0.767 19955 3533 1 5 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.102 -0.250 19955 3534 1 5 . 1 1 860 860 LYS CB C 860 33.148 33.148 31.416 1.732 19955 3535 1 5 . 1 1 860 860 LYS H H 860 8.267 8.267 7.779 0.488 19955 3536 1 5 . 1 1 861 861 LEU N N 861 124.576 124.576 120.397 4.179 19955 3537 1 5 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.055 0.301 19955 3538 1 5 . 1 1 861 861 LEU C C 861 177.069 177.069 175.582 1.487 19955 3539 1 5 . 1 1 861 861 LEU CA C 861 54.795 54.795 55.435 -0.640 19955 3540 1 5 . 1 1 861 861 LEU CB C 861 42.350 42.350 41.261 1.089 19955 3541 1 5 . 1 1 861 861 LEU H H 861 8.316 8.316 7.804 0.512 19955 3542 1 5 . 1 1 862 862 THR N N 862 117.878 117.878 120.523 -2.645 19955 3543 1 5 . 1 1 862 862 THR HA H 862 4.729 4.729 4.623 0.106 19955 3544 1 5 . 1 1 862 862 THR C C 862 172.639 172.639 172.499 0.140 19955 3545 1 5 . 1 1 862 862 THR CA C 862 59.644 59.644 59.092 0.552 19955 3546 1 5 . 1 1 862 862 THR CB C 862 69.476 69.476 70.249 -0.773 19955 3547 1 5 . 1 1 862 862 THR H H 862 8.162 8.162 7.911 0.251 19955 3548 1 5 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.527 -0.159 19955 3549 1 5 . 1 1 863 863 PRO C C 863 176.753 176.753 177.128 -0.375 19955 3550 1 5 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.825 0.367 19955 3551 1 5 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.202 -0.144 19955 3552 1 5 . 1 1 864 864 VAL N N 864 120.359 120.359 121.078 -0.719 19955 3553 1 5 . 1 1 864 864 VAL HA H 864 3.985 3.985 3.890 0.094 19955 3554 1 5 . 1 1 864 864 VAL C C 864 175.964 175.964 176.339 -0.375 19955 3555 1 5 . 1 1 864 864 VAL CA C 864 62.342 62.342 64.128 -1.786 19955 3556 1 5 . 1 1 864 864 VAL CB C 864 32.521 32.521 31.447 1.074 19955 3557 1 5 . 1 1 864 864 VAL H H 864 8.102 8.102 8.118 -0.016 19955 3558 1 5 . 1 1 865 865 GLN N N 865 124.642 124.642 120.039 4.603 19955 3559 1 5 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.393 -0.107 19955 3560 1 5 . 1 1 865 865 GLN C C 865 175.443 175.443 175.094 0.349 19955 3561 1 5 . 1 1 865 865 GLN CA C 865 55.595 55.595 55.331 0.265 19955 3562 1 5 . 1 1 865 865 GLN CB C 865 29.739 29.739 29.322 0.417 19955 3563 1 5 . 1 1 865 865 GLN H H 865 8.333 8.333 8.162 0.171 19955 3564 1 5 . 1 1 866 866 VAL N N 866 123.436 123.436 121.619 1.817 19955 3565 1 5 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.283 -0.314 19955 3566 1 5 . 1 1 866 866 VAL C C 866 175.685 175.685 175.497 0.188 19955 3567 1 5 . 1 1 866 866 VAL CA C 866 62.398 62.398 61.849 0.549 19955 3568 1 5 . 1 1 866 866 VAL CB C 866 32.832 32.832 32.632 0.200 19955 3569 1 5 . 1 1 866 866 VAL H H 866 8.189 8.189 8.290 -0.101 19955 3570 1 5 . 1 1 867 867 LEU N N 867 127.515 127.515 128.402 -0.887 19955 3571 1 5 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.595 -0.333 19955 3572 1 5 . 1 1 867 867 LEU C C 867 177.037 177.037 176.107 0.930 19955 3573 1 5 . 1 1 867 867 LEU CA C 867 55.688 55.688 53.945 1.743 19955 3574 1 5 . 1 1 867 867 LEU CB C 867 42.552 42.552 43.162 -0.610 19955 3575 1 5 . 1 1 867 867 LEU H H 867 8.679 8.679 8.466 0.213 19955 3576 1 5 . 1 1 868 868 GLU N N 868 120.794 120.794 120.873 -0.079 19955 3577 1 5 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.509 -0.290 19955 3578 1 5 . 1 1 868 868 GLU C C 868 175.353 175.353 174.709 0.644 19955 3579 1 5 . 1 1 868 868 GLU CA C 868 55.753 55.753 55.455 0.298 19955 3580 1 5 . 1 1 868 868 GLU CB C 868 31.419 31.419 32.043 -0.624 19955 3581 1 5 . 1 1 868 868 GLU H H 868 8.272 8.272 8.254 0.018 19955 3582 1 5 . 1 1 869 869 TYR N N 869 121.165 121.165 119.476 1.689 19955 3583 1 5 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.688 0.012 19955 3584 1 5 . 1 1 869 869 TYR C C 869 176.824 176.824 176.278 0.546 19955 3585 1 5 . 1 1 869 869 TYR CA C 869 56.809 56.809 57.231 -0.422 19955 3586 1 5 . 1 1 869 869 TYR CB C 869 38.650 38.650 41.694 -3.044 19955 3587 1 5 . 1 1 869 869 TYR H H 869 8.003 8.003 8.454 -0.451 19955 3588 1 5 . 1 1 870 870 GLY N N 870 104.958 104.958 108.384 -3.426 19955 3589 1 5 . 1 1 870 870 GLY C C 870 173.846 173.846 173.458 0.388 19955 3590 1 5 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.921 -0.702 19955 3591 1 5 . 1 1 870 870 GLY H H 870 8.590 8.590 8.693 -0.103 19955 3592 1 5 . 1 1 871 871 GLU N N 871 122.341 122.341 118.697 3.644 19955 3593 1 5 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.399 -0.177 19955 3594 1 5 . 1 1 871 871 GLU C C 871 173.827 173.827 174.612 -0.785 19955 3595 1 5 . 1 1 871 871 GLU CA C 871 55.859 55.859 55.457 0.402 19955 3596 1 5 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.327 0.607 19955 3597 1 5 . 1 1 871 871 GLU H H 871 9.246 9.246 7.850 1.396 19955 3598 1 5 . 1 1 872 872 ALA N N 872 126.709 126.709 123.747 2.962 19955 3599 1 5 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.239 -0.135 19955 3600 1 5 . 1 1 872 872 ALA C C 872 174.022 174.022 174.840 -0.818 19955 3601 1 5 . 1 1 872 872 ALA CA C 872 50.135 50.135 50.384 -0.249 19955 3602 1 5 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.968 1.530 19955 3603 1 5 . 1 1 872 872 ALA H H 872 9.266 9.266 9.114 0.152 19955 3604 1 5 . 1 1 873 873 ILE N N 873 118.554 118.554 120.704 -2.150 19955 3605 1 5 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.829 -0.215 19955 3606 1 5 . 1 1 873 873 ILE C C 873 176.132 176.132 175.154 0.978 19955 3607 1 5 . 1 1 873 873 ILE CA C 873 58.788 58.788 59.266 -0.478 19955 3608 1 5 . 1 1 873 873 ILE CB C 873 40.630 40.630 41.953 -1.323 19955 3609 1 5 . 1 1 873 873 ILE H H 873 8.522 8.522 8.456 0.066 19955 3610 1 5 . 1 1 874 874 ALA N N 874 129.739 129.739 131.455 -1.716 19955 3611 1 5 . 1 1 874 874 ALA HA H 874 4.037 4.037 3.987 0.050 19955 3612 1 5 . 1 1 874 874 ALA C C 874 178.259 178.259 177.521 0.738 19955 3613 1 5 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.480 0.857 19955 3614 1 5 . 1 1 874 874 ALA CB C 874 21.278 21.278 18.576 2.703 19955 3615 1 5 . 1 1 874 874 ALA H H 874 8.608 8.608 8.244 0.364 19955 3616 1 5 . 1 1 875 875 LYS N N 875 127.308 127.308 125.302 2.006 19955 3617 1 5 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.769 0.255 19955 3618 1 5 . 1 1 875 875 LYS C C 875 174.098 174.098 176.124 -2.026 19955 3619 1 5 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.870 -1.772 19955 3620 1 5 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.651 1.333 19955 3621 1 5 . 1 1 875 875 LYS H H 875 9.298 9.298 8.499 0.799 19955 3622 1 5 . 1 1 876 876 PHE N N 876 113.423 113.423 115.578 -2.155 19955 3623 1 5 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.725 0.186 19955 3624 1 5 . 1 1 876 876 PHE C C 876 174.050 174.050 175.532 -1.482 19955 3625 1 5 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.310 -2.465 19955 3626 1 5 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.371 2.370 19955 3627 1 5 . 1 1 876 876 PHE H H 876 7.328 7.328 7.598 -0.270 19955 3628 1 5 . 1 1 877 877 ASN N N 877 116.437 116.437 121.670 -5.233 19955 3629 1 5 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.784 0.005 19955 3630 1 5 . 1 1 877 877 ASN C C 877 174.454 174.454 174.455 -0.001 19955 3631 1 5 . 1 1 877 877 ASN CA C 877 53.535 53.535 54.051 -0.516 19955 3632 1 5 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.822 -0.615 19955 3633 1 5 . 1 1 877 877 ASN H H 877 8.666 8.666 8.738 -0.072 19955 3634 1 5 . 1 1 878 878 PHE N N 878 123.179 123.179 128.284 -5.105 19955 3635 1 5 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.725 -0.060 19955 3636 1 5 . 1 1 878 878 PHE C C 878 173.027 173.027 173.239 -0.212 19955 3637 1 5 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.768 -0.664 19955 3638 1 5 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.220 -0.134 19955 3639 1 5 . 1 1 878 878 PHE H H 878 8.433 8.433 8.317 0.116 19955 3640 1 5 . 1 1 879 879 ASN N N 879 127.113 127.113 125.440 1.673 19955 3641 1 5 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.611 -0.049 19955 3642 1 5 . 1 1 879 879 ASN C C 879 173.174 173.174 173.825 -0.651 19955 3643 1 5 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.385 -0.455 19955 3644 1 5 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.671 -0.284 19955 3645 1 5 . 1 1 879 879 ASN H H 879 8.000 8.000 7.956 0.044 19955 3646 1 5 . 1 1 880 880 GLY N N 880 110.949 110.949 107.991 2.958 19955 3647 1 5 . 1 1 880 880 GLY C C 880 173.383 173.383 174.253 -0.870 19955 3648 1 5 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.691 0.966 19955 3649 1 5 . 1 1 880 880 GLY H H 880 7.997 7.997 8.045 -0.048 19955 3650 1 5 . 1 1 881 881 ASP N N 881 122.408 122.408 121.374 1.034 19955 3651 1 5 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.815 -0.182 19955 3652 1 5 . 1 1 881 881 ASP C C 881 176.286 176.286 176.722 -0.436 19955 3653 1 5 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.908 0.287 19955 3654 1 5 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.827 1.313 19955 3655 1 5 . 1 1 881 881 ASP H H 881 8.796 8.796 8.557 0.239 19955 3656 1 5 . 1 1 882 882 THR N N 882 108.354 108.354 112.466 -4.112 19955 3657 1 5 . 1 1 882 882 THR HA H 882 4.583 4.583 4.792 -0.209 19955 3658 1 5 . 1 1 882 882 THR C C 882 175.948 175.948 175.648 0.300 19955 3659 1 5 . 1 1 882 882 THR CA C 882 60.352 60.352 60.310 0.042 19955 3660 1 5 . 1 1 882 882 THR CB C 882 71.649 71.649 71.930 -0.281 19955 3661 1 5 . 1 1 882 882 THR H H 882 7.541 7.541 7.503 0.038 19955 3662 1 5 . 1 1 883 883 GLN N N 883 118.622 118.622 119.918 -1.296 19955 3663 1 5 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.040 0.112 19955 3664 1 5 . 1 1 883 883 GLN C C 883 176.478 176.478 176.456 0.022 19955 3665 1 5 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.362 -0.166 19955 3666 1 5 . 1 1 883 883 GLN CB C 883 28.669 28.669 27.865 0.804 19955 3667 1 5 . 1 1 883 883 GLN H H 883 8.710 8.710 8.810 -0.100 19955 3668 1 5 . 1 1 884 884 VAL N N 884 111.473 111.473 111.848 -0.375 19955 3669 1 5 . 1 1 884 884 VAL HA H 884 4.207 4.207 4.018 0.189 19955 3670 1 5 . 1 1 884 884 VAL C C 884 176.430 176.430 175.602 0.828 19955 3671 1 5 . 1 1 884 884 VAL CA C 884 62.293 62.293 62.615 -0.322 19955 3672 1 5 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.274 0.649 19955 3673 1 5 . 1 1 884 884 VAL H H 884 7.260 7.260 7.796 -0.536 19955 3674 1 5 . 1 1 885 885 GLU N N 885 121.794 121.794 120.630 1.164 19955 3675 1 5 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.748 0.160 19955 3676 1 5 . 1 1 885 885 GLU C C 885 175.369 175.369 175.978 -0.609 19955 3677 1 5 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.193 0.117 19955 3678 1 5 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.363 1.426 19955 3679 1 5 . 1 1 885 885 GLU H H 885 7.455 7.455 7.501 -0.046 19955 3680 1 5 . 1 1 886 886 MET N N 886 125.473 125.473 125.619 -0.146 19955 3681 1 5 . 1 1 886 886 MET HA H 886 4.534 4.534 4.378 0.156 19955 3682 1 5 . 1 1 886 886 MET C C 886 172.841 172.841 174.751 -1.910 19955 3683 1 5 . 1 1 886 886 MET CA C 886 54.129 54.129 54.905 -0.776 19955 3684 1 5 . 1 1 886 886 MET CB C 886 35.157 35.157 34.172 0.985 19955 3685 1 5 . 1 1 886 886 MET H H 886 8.996 8.996 8.839 0.157 19955 3686 1 5 . 1 1 887 887 SER N N 887 118.425 118.425 115.927 2.498 19955 3687 1 5 . 1 1 887 887 SER HA H 887 4.402 4.402 4.388 0.014 19955 3688 1 5 . 1 1 887 887 SER C C 887 174.667 174.667 172.338 2.329 19955 3689 1 5 . 1 1 887 887 SER CA C 887 58.612 58.612 56.461 2.151 19955 3690 1 5 . 1 1 887 887 SER CB C 887 64.186 64.186 65.488 -1.302 19955 3691 1 5 . 1 1 887 887 SER H H 887 7.888 7.888 7.925 -0.037 19955 3692 1 5 . 1 1 888 888 PHE N N 888 116.363 116.363 117.200 -0.837 19955 3693 1 5 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.898 -0.384 19955 3694 1 5 . 1 1 888 888 PHE C C 888 174.756 174.756 173.045 1.711 19955 3695 1 5 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.594 -0.058 19955 3696 1 5 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.390 -0.588 19955 3697 1 5 . 1 1 888 888 PHE H H 888 8.780 8.780 8.521 0.259 19955 3698 1 5 . 1 1 889 889 ARG N N 889 121.944 121.944 121.036 0.908 19955 3699 1 5 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.872 0.100 19955 3700 1 5 . 1 1 889 889 ARG C C 889 175.318 175.318 175.905 -0.587 19955 3701 1 5 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.130 -0.832 19955 3702 1 5 . 1 1 889 889 ARG CB C 889 32.886 32.886 33.669 -0.783 19955 3703 1 5 . 1 1 889 889 ARG H H 889 10.187 10.187 8.673 1.514 19955 3704 1 5 . 1 1 890 890 LYS N N 890 119.991 119.991 124.455 -4.464 19955 3705 1 5 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.908 -0.660 19955 3706 1 5 . 1 1 890 890 LYS C C 890 176.504 176.504 177.458 -0.954 19955 3707 1 5 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.342 0.054 19955 3708 1 5 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.135 0.694 19955 3709 1 5 . 1 1 890 890 LYS H H 890 8.360 8.360 8.783 -0.423 19955 3710 1 5 . 1 1 891 891 GLY N N 891 113.950 113.950 115.052 -1.102 19955 3711 1 5 . 1 1 891 891 GLY C C 891 174.298 174.298 174.078 0.220 19955 3712 1 5 . 1 1 891 891 GLY CA C 891 44.668 44.668 44.793 -0.125 19955 3713 1 5 . 1 1 891 891 GLY H H 891 8.673 8.673 8.969 -0.296 19955 3714 1 5 . 1 1 892 892 GLU N N 892 119.511 119.511 121.702 -2.191 19955 3715 1 5 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.235 -0.119 19955 3716 1 5 . 1 1 892 892 GLU C C 892 174.618 174.618 176.505 -1.887 19955 3717 1 5 . 1 1 892 892 GLU CA C 892 59.515 59.515 56.515 3.000 19955 3718 1 5 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.340 0.241 19955 3719 1 5 . 1 1 892 892 GLU H H 892 7.856 7.856 7.904 -0.048 19955 3720 1 5 . 1 1 893 893 ARG N N 893 122.979 122.979 122.934 0.045 19955 3721 1 5 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.468 0.129 19955 3722 1 5 . 1 1 893 893 ARG C C 893 174.836 174.836 176.011 -1.175 19955 3723 1 5 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.733 -1.205 19955 3724 1 5 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.069 -0.029 19955 3725 1 5 . 1 1 893 893 ARG H H 893 8.120 8.120 8.552 -0.432 19955 3726 1 5 . 1 1 894 894 ILE N N 894 122.659 122.659 123.581 -0.922 19955 3727 1 5 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.582 -0.519 19955 3728 1 5 . 1 1 894 894 ILE C C 894 175.789 175.789 175.023 0.766 19955 3729 1 5 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.106 0.160 19955 3730 1 5 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.539 0.888 19955 3731 1 5 . 1 1 894 894 ILE H H 894 8.586 8.586 8.979 -0.393 19955 3732 1 5 . 1 1 895 895 THR N N 895 124.709 124.709 122.311 2.398 19955 3733 1 5 . 1 1 895 895 THR HA H 895 4.441 4.441 4.915 -0.474 19955 3734 1 5 . 1 1 895 895 THR C C 895 174.124 174.124 174.378 -0.254 19955 3735 1 5 . 1 1 895 895 THR CA C 895 62.837 62.837 61.521 1.316 19955 3736 1 5 . 1 1 895 895 THR CB C 895 69.246 69.246 69.909 -0.663 19955 3737 1 5 . 1 1 895 895 THR H H 895 9.078 9.078 8.877 0.201 19955 3738 1 5 . 1 1 896 896 LEU N N 896 122.648 122.648 129.468 -6.820 19955 3739 1 5 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.446 -0.057 19955 3740 1 5 . 1 1 896 896 LEU C C 896 174.836 174.836 177.012 -2.176 19955 3741 1 5 . 1 1 896 896 LEU H H 896 8.583 8.583 8.734 -0.151 19955 3742 1 5 . 1 1 897 897 LEU N N 897 124.502 124.502 123.980 0.522 19955 3743 1 5 . 1 1 897 897 LEU HA H 897 4.332 4.332 3.803 0.529 19955 3744 1 5 . 1 1 897 897 LEU C C 897 176.645 176.645 177.348 -0.703 19955 3745 1 5 . 1 1 897 897 LEU CA C 897 56.226 56.226 57.231 -1.005 19955 3746 1 5 . 1 1 897 897 LEU CB C 897 42.331 42.331 42.308 0.023 19955 3747 1 5 . 1 1 897 897 LEU H H 897 8.984 8.984 8.058 0.926 19955 3748 1 5 . 1 1 898 898 ARG N N 898 108.422 108.422 114.369 -5.947 19955 3749 1 5 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.524 -0.082 19955 3750 1 5 . 1 1 898 898 ARG C C 898 173.645 173.645 173.566 0.079 19955 3751 1 5 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.553 -0.312 19955 3752 1 5 . 1 1 898 898 ARG CB C 898 31.609 31.609 33.240 -1.631 19955 3753 1 5 . 1 1 898 898 ARG H H 898 7.413 7.413 7.686 -0.273 19955 3754 1 5 . 1 1 899 899 GLN N N 899 124.503 124.503 122.896 1.607 19955 3755 1 5 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.742 -0.550 19955 3756 1 5 . 1 1 899 899 GLN C C 899 175.142 175.142 175.805 -0.663 19955 3757 1 5 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.911 0.385 19955 3758 1 5 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.049 -0.560 19955 3759 1 5 . 1 1 899 899 GLN H H 899 9.301 9.301 8.739 0.562 19955 3760 1 5 . 1 1 900 900 VAL N N 900 129.109 129.109 124.968 4.141 19955 3761 1 5 . 1 1 900 900 VAL HA H 900 3.666 3.666 4.082 -0.416 19955 3762 1 5 . 1 1 900 900 VAL C C 900 175.298 175.298 175.565 -0.267 19955 3763 1 5 . 1 1 900 900 VAL CA C 900 64.773 64.773 63.620 1.153 19955 3764 1 5 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.721 0.100 19955 3765 1 5 . 1 1 900 900 VAL H H 900 8.475 8.475 8.412 0.063 19955 3766 1 5 . 1 1 901 901 ASP N N 901 118.573 118.573 117.371 1.202 19955 3767 1 5 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.799 -0.403 19955 3768 1 5 . 1 1 901 901 ASP C C 901 175.386 175.386 175.042 0.344 19955 3769 1 5 . 1 1 901 901 ASP CA C 901 53.300 53.300 53.060 0.240 19955 3770 1 5 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.612 -2.449 19955 3771 1 5 . 1 1 901 901 ASP H H 901 8.038 8.038 7.980 0.058 19955 3772 1 5 . 1 1 902 902 GLU N N 902 114.492 114.492 118.932 -4.440 19955 3773 1 5 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.231 -0.399 19955 3774 1 5 . 1 1 902 902 GLU C C 902 175.973 175.973 176.802 -0.829 19955 3775 1 5 . 1 1 902 902 GLU CA C 902 59.095 59.095 58.412 0.683 19955 3776 1 5 . 1 1 902 902 GLU CB C 902 29.507 29.507 29.879 -0.372 19955 3777 1 5 . 1 1 902 902 GLU H H 902 8.784 8.784 8.505 0.279 19955 3778 1 5 . 1 1 903 903 ASN N N 903 113.835 113.835 114.934 -1.099 19955 3779 1 5 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.804 0.060 19955 3780 1 5 . 1 1 903 903 ASN C C 903 175.238 175.238 173.776 1.462 19955 3781 1 5 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.997 0.803 19955 3782 1 5 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.226 2.984 19955 3783 1 5 . 1 1 903 903 ASN H H 903 8.763 8.763 8.446 0.317 19955 3784 1 5 . 1 1 904 904 TRP N N 904 121.517 121.517 119.033 2.484 19955 3785 1 5 . 1 1 904 904 TRP HA H 904 4.950 4.950 4.875 0.075 19955 3786 1 5 . 1 1 904 904 TRP C C 904 175.223 175.223 174.846 0.377 19955 3787 1 5 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.616 0.563 19955 3788 1 5 . 1 1 904 904 TRP CB C 904 31.286 31.286 32.376 -1.090 19955 3789 1 5 . 1 1 904 904 TRP H H 904 8.141 8.141 7.633 0.508 19955 3790 1 5 . 1 1 905 905 TYR N N 905 121.365 121.365 116.206 5.159 19955 3791 1 5 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.071 -0.155 19955 3792 1 5 . 1 1 905 905 TYR C C 905 173.702 173.702 172.699 1.003 19955 3793 1 5 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.388 0.072 19955 3794 1 5 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.337 2.064 19955 3795 1 5 . 1 1 905 905 TYR H H 905 8.550 8.550 8.395 0.155 19955 3796 1 5 . 1 1 906 906 GLU N N 906 117.356 117.356 121.760 -4.404 19955 3797 1 5 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.650 0.235 19955 3798 1 5 . 1 1 906 906 GLU C C 906 176.159 176.159 175.316 0.843 19955 3799 1 5 . 1 1 906 906 GLU CA C 906 54.795 54.795 54.171 0.624 19955 3800 1 5 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.042 -0.452 19955 3801 1 5 . 1 1 906 906 GLU H H 906 8.707 8.707 8.766 -0.059 19955 3802 1 5 . 1 1 907 907 GLY N N 907 114.506 114.506 112.355 2.151 19955 3803 1 5 . 1 1 907 907 GLY C C 907 169.408 169.408 171.924 -2.516 19955 3804 1 5 . 1 1 907 907 GLY CA C 907 45.734 45.734 44.844 0.890 19955 3805 1 5 . 1 1 907 907 GLY H H 907 9.334 9.334 8.596 0.738 19955 3806 1 5 . 1 1 908 908 ARG N N 908 114.660 114.660 116.651 -1.991 19955 3807 1 5 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.168 0.209 19955 3808 1 5 . 1 1 908 908 ARG C C 908 173.981 173.981 175.175 -1.194 19955 3809 1 5 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.232 0.045 19955 3810 1 5 . 1 1 908 908 ARG CB C 908 34.589 34.589 33.392 1.197 19955 3811 1 5 . 1 1 908 908 ARG H H 908 8.694 8.694 8.244 0.450 19955 3812 1 5 . 1 1 909 909 ILE N N 909 124.579 124.579 121.416 3.163 19955 3813 1 5 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.594 0.325 19955 3814 1 5 . 1 1 909 909 ILE C C 909 175.024 175.024 175.994 -0.970 19955 3815 1 5 . 1 1 909 909 ILE CA C 909 56.699 56.699 59.389 -2.690 19955 3816 1 5 . 1 1 909 909 ILE CB C 909 35.387 35.387 37.968 -2.581 19955 3817 1 5 . 1 1 909 909 ILE H H 909 7.757 7.757 8.068 -0.311 19955 3818 1 5 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.253 0.376 19955 3819 1 5 . 1 1 910 910 PRO C C 910 176.353 176.353 177.449 -1.096 19955 3820 1 5 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.826 -12.028 19955 3821 1 5 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.523 -1.115 19955 3822 1 5 . 1 1 911 911 GLY N N 911 118.118 118.118 103.808 14.310 19955 3823 1 5 . 1 1 911 911 GLY C C 911 173.987 173.987 174.665 -0.678 19955 3824 1 5 . 1 1 911 911 GLY CA C 911 45.332 45.332 44.892 0.440 19955 3825 1 5 . 1 1 911 911 GLY H H 911 7.869 7.869 7.955 -0.086 19955 3826 1 5 . 1 1 912 912 THR N N 912 109.041 109.041 111.076 -2.035 19955 3827 1 5 . 1 1 912 912 THR HA H 912 4.469 4.469 3.942 0.527 19955 3828 1 5 . 1 1 912 912 THR C C 912 174.144 174.144 174.605 -0.461 19955 3829 1 5 . 1 1 912 912 THR CA C 912 60.194 60.194 63.850 -3.656 19955 3830 1 5 . 1 1 912 912 THR CB C 912 72.812 72.812 66.974 5.838 19955 3831 1 5 . 1 1 912 912 THR H H 912 7.743 7.743 8.241 -0.498 19955 3832 1 5 . 1 1 913 913 SER N N 913 126.292 126.292 114.565 11.727 19955 3833 1 5 . 1 1 913 913 SER HA H 913 4.671 4.671 4.495 0.176 19955 3834 1 5 . 1 1 913 913 SER C C 913 174.781 174.781 173.882 0.899 19955 3835 1 5 . 1 1 913 913 SER CA C 913 57.411 57.411 59.667 -2.256 19955 3836 1 5 . 1 1 913 913 SER CB C 913 63.258 63.258 64.898 -1.641 19955 3837 1 5 . 1 1 913 913 SER H H 913 7.896 7.896 8.469 -0.573 19955 3838 1 5 . 1 1 914 914 ARG N N 914 124.284 124.284 119.697 4.587 19955 3839 1 5 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.698 -0.445 19955 3840 1 5 . 1 1 914 914 ARG C C 914 174.712 174.712 174.150 0.562 19955 3841 1 5 . 1 1 914 914 ARG CA C 914 56.960 56.960 54.885 2.075 19955 3842 1 5 . 1 1 914 914 ARG CB C 914 30.694 30.694 33.056 -2.362 19955 3843 1 5 . 1 1 914 914 ARG H H 914 8.631 8.631 8.015 0.616 19955 3844 1 5 . 1 1 915 915 GLN N N 915 124.297 124.297 120.649 3.648 19955 3845 1 5 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.205 0.176 19955 3846 1 5 . 1 1 915 915 GLN C C 915 174.377 174.377 174.247 0.130 19955 3847 1 5 . 1 1 915 915 GLN CA C 915 55.566 55.566 55.176 0.390 19955 3848 1 5 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.414 -1.408 19955 3849 1 5 . 1 1 915 915 GLN H H 915 8.054 8.054 8.800 -0.746 19955 3850 1 5 . 1 1 916 916 GLY N N 916 112.028 112.028 109.822 2.206 19955 3851 1 5 . 1 1 916 916 GLY C C 916 172.185 172.185 171.142 1.043 19955 3852 1 5 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.613 -0.366 19955 3853 1 5 . 1 1 916 916 GLY H H 916 8.818 8.818 8.743 0.075 19955 3854 1 5 . 1 1 917 917 ILE N N 917 113.634 113.634 115.580 -1.946 19955 3855 1 5 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.449 1.579 19955 3856 1 5 . 1 1 917 917 ILE C C 917 176.584 176.584 173.322 3.262 19955 3857 1 5 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.374 1.605 19955 3858 1 5 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.080 1.145 19955 3859 1 5 . 1 1 917 917 ILE H H 917 8.714 8.714 7.397 1.317 19955 3860 1 5 . 1 1 918 918 PHE N N 918 115.806 115.806 119.662 -3.856 19955 3861 1 5 . 1 1 918 918 PHE C C 918 170.959 170.959 172.872 -1.913 19955 3862 1 5 . 1 1 918 918 PHE CA C 918 55.619 55.619 54.987 0.632 19955 3863 1 5 . 1 1 918 918 PHE CB C 918 38.622 38.622 40.611 -1.989 19955 3864 1 5 . 1 1 918 918 PHE H H 918 8.573 8.573 7.595 0.978 19955 3865 1 5 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.488 -0.388 19955 3866 1 5 . 1 1 919 919 PRO C C 919 178.655 178.655 177.495 1.160 19955 3867 1 5 . 1 1 919 919 PRO CA C 919 60.998 60.998 62.002 -1.004 19955 3868 1 5 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.952 -0.742 19955 3869 1 5 . 1 1 920 920 ILE N N 920 123.677 123.677 121.598 2.079 19955 3870 1 5 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.818 -0.127 19955 3871 1 5 . 1 1 920 920 ILE C C 920 176.798 176.798 177.779 -0.981 19955 3872 1 5 . 1 1 920 920 ILE CA C 920 63.373 63.373 63.434 -0.061 19955 3873 1 5 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.114 1.736 19955 3874 1 5 . 1 1 920 920 ILE H H 920 7.949 7.949 8.109 -0.160 19955 3875 1 5 . 1 1 921 921 THR N N 921 106.993 106.993 117.182 -10.189 19955 3876 1 5 . 1 1 921 921 THR HA H 921 4.294 4.294 4.029 0.265 19955 3877 1 5 . 1 1 921 921 THR C C 921 175.639 175.639 175.712 -0.073 19955 3878 1 5 . 1 1 921 921 THR CA C 921 62.983 62.983 66.902 -3.919 19955 3879 1 5 . 1 1 921 921 THR CB C 921 69.104 69.104 68.790 0.314 19955 3880 1 5 . 1 1 921 921 THR H H 921 7.500 7.500 8.398 -0.898 19955 3881 1 5 . 1 1 922 922 TYR N N 922 118.600 118.600 117.790 0.810 19955 3882 1 5 . 1 1 922 922 TYR HA H 922 4.640 4.640 5.068 -0.428 19955 3883 1 5 . 1 1 922 922 TYR C C 922 175.481 175.481 173.910 1.571 19955 3884 1 5 . 1 1 922 922 TYR CA C 922 59.448 59.448 55.582 3.866 19955 3885 1 5 . 1 1 922 922 TYR CB C 922 38.600 38.600 37.990 0.610 19955 3886 1 5 . 1 1 922 922 TYR H H 922 7.836 7.836 7.855 -0.019 19955 3887 1 5 . 1 1 923 923 VAL N N 923 109.058 109.058 120.051 -10.993 19955 3888 1 5 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.193 0.766 19955 3889 1 5 . 1 1 923 923 VAL C C 923 172.905 172.905 174.473 -1.568 19955 3890 1 5 . 1 1 923 923 VAL CA C 923 58.490 58.490 60.627 -2.137 19955 3891 1 5 . 1 1 923 923 VAL CB C 923 35.287 35.287 34.814 0.473 19955 3892 1 5 . 1 1 923 923 VAL H H 923 7.701 7.701 6.902 0.799 19955 3893 1 5 . 1 1 924 924 ASP N N 924 120.115 120.115 124.992 -4.877 19955 3894 1 5 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.731 0.203 19955 3895 1 5 . 1 1 924 924 ASP C C 924 175.863 175.863 175.578 0.285 19955 3896 1 5 . 1 1 924 924 ASP CA C 924 52.934 52.934 52.551 0.383 19955 3897 1 5 . 1 1 924 924 ASP CB C 924 42.263 42.263 42.719 -0.456 19955 3898 1 5 . 1 1 924 924 ASP H H 924 8.658 8.658 8.750 -0.092 19955 3899 1 5 . 1 1 925 925 VAL N N 925 125.090 125.090 127.083 -1.993 19955 3900 1 5 . 1 1 925 925 VAL HA H 925 3.679 3.679 3.964 -0.285 19955 3901 1 5 . 1 1 925 925 VAL C C 925 175.620 175.620 175.716 -0.096 19955 3902 1 5 . 1 1 925 925 VAL CA C 925 64.215 64.215 62.737 1.478 19955 3903 1 5 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.667 0.054 19955 3904 1 5 . 1 1 925 925 VAL H H 925 8.911 8.911 8.439 0.472 19955 3905 1 5 . 1 1 926 926 ILE N N 926 129.390 129.390 128.833 0.557 19955 3906 1 5 . 1 1 926 926 ILE HA H 926 4.037 4.037 3.809 0.228 19955 3907 1 5 . 1 1 926 926 ILE C C 926 175.683 175.683 176.408 -0.725 19955 3908 1 5 . 1 1 926 926 ILE CA C 926 61.578 61.578 63.204 -1.626 19955 3909 1 5 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.389 0.158 19955 3910 1 5 . 1 1 926 926 ILE H H 926 8.519 8.519 8.077 0.442 19955 3911 1 5 . 1 1 927 927 LYS N N 927 122.060 122.060 117.964 4.096 19955 3912 1 5 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.458 0.154 19955 3913 1 5 . 1 1 927 927 LYS C C 927 175.204 175.204 175.212 -0.008 19955 3914 1 5 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.069 0.528 19955 3915 1 5 . 1 1 927 927 LYS CB C 927 35.633 35.633 35.250 0.383 19955 3916 1 5 . 1 1 927 927 LYS H H 927 8.017 8.017 7.441 0.576 19955 3917 1 5 . 1 1 928 928 ARG N N 928 126.441 126.441 122.493 3.948 19955 3918 1 5 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.437 -0.010 19955 3919 1 5 . 1 1 928 928 ARG C C 928 173.959 173.959 174.839 -0.880 19955 3920 1 5 . 1 1 928 928 ARG CA C 928 55.488 55.488 54.305 1.183 19955 3921 1 5 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.329 0.384 19955 3922 1 5 . 1 1 928 928 ARG H H 928 8.729 8.729 8.523 0.206 19955 3923 1 5 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.555 -0.042 19955 3924 1 5 . 1 1 929 929 PRO CA C 929 62.718 62.718 62.942 -0.224 19955 3925 1 5 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.259 -0.643 19955 3926 1 6 . 1 1 790 790 MET HA H 790 4.396 4.396 4.284 0.112 19955 3927 1 6 . 1 1 790 790 MET CA C 790 55.378 55.378 56.997 -1.619 19955 3928 1 6 . 1 1 790 790 MET CB C 790 32.960 32.960 32.408 0.551 19955 3929 1 6 . 1 1 791 791 SER N N 791 118.373 118.373 111.199 7.174 19955 3930 1 6 . 1 1 791 791 SER HA H 791 4.362 4.362 4.461 -0.099 19955 3931 1 6 . 1 1 791 791 SER C C 791 175.043 175.043 173.293 1.750 19955 3932 1 6 . 1 1 791 791 SER CA C 791 58.532 58.532 57.515 1.017 19955 3933 1 6 . 1 1 791 791 SER CB C 791 63.749 63.749 65.041 -1.292 19955 3934 1 6 . 1 1 791 791 SER H H 791 8.657 8.657 7.862 0.795 19955 3935 1 6 . 1 1 792 792 GLY N N 792 111.254 111.254 108.004 3.250 19955 3936 1 6 . 1 1 792 792 GLY C C 792 174.362 174.362 173.153 1.209 19955 3937 1 6 . 1 1 792 792 GLY CA C 792 45.539 45.539 45.148 0.391 19955 3938 1 6 . 1 1 792 792 GLY H H 792 8.560 8.560 8.078 0.482 19955 3939 1 6 . 1 1 793 793 SER N N 793 115.369 115.369 115.745 -0.376 19955 3940 1 6 . 1 1 793 793 SER HA H 793 4.409 4.409 4.455 -0.046 19955 3941 1 6 . 1 1 793 793 SER C C 793 174.396 174.396 174.245 0.151 19955 3942 1 6 . 1 1 793 793 SER CA C 793 58.485 58.485 58.478 0.007 19955 3943 1 6 . 1 1 793 793 SER CB C 793 63.845 63.845 63.969 -0.124 19955 3944 1 6 . 1 1 793 793 SER H H 793 8.102 8.102 8.038 0.064 19955 3945 1 6 . 1 1 794 794 GLU N N 794 122.660 122.660 126.342 -3.682 19955 3946 1 6 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.562 -0.352 19955 3947 1 6 . 1 1 794 794 GLU C C 794 175.970 175.970 175.357 0.613 19955 3948 1 6 . 1 1 794 794 GLU CA C 794 56.849 56.849 55.991 0.858 19955 3949 1 6 . 1 1 794 794 GLU CB C 794 30.261 30.261 31.823 -1.562 19955 3950 1 6 . 1 1 794 794 GLU H H 794 8.565 8.565 8.598 -0.033 19955 3951 1 6 . 1 1 795 795 MET N N 795 119.544 119.544 122.032 -2.488 19955 3952 1 6 . 1 1 795 795 MET HA H 795 4.653 4.653 4.820 -0.167 19955 3953 1 6 . 1 1 795 795 MET C C 795 175.590 175.590 177.011 -1.421 19955 3954 1 6 . 1 1 795 795 MET CA C 795 55.135 55.135 56.414 -1.280 19955 3955 1 6 . 1 1 795 795 MET CB C 795 32.378 32.378 33.588 -1.210 19955 3956 1 6 . 1 1 795 795 MET H H 795 8.156 8.156 8.554 -0.398 19955 3957 1 6 . 1 1 796 796 ARG N N 796 122.177 122.177 121.122 1.055 19955 3958 1 6 . 1 1 796 796 ARG HA H 796 4.911 4.911 5.069 -0.158 19955 3959 1 6 . 1 1 796 796 ARG C C 796 173.378 173.378 174.126 -0.748 19955 3960 1 6 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.059 -0.124 19955 3961 1 6 . 1 1 796 796 ARG CB C 796 32.172 32.172 32.280 -0.108 19955 3962 1 6 . 1 1 796 796 ARG H H 796 8.358 8.358 8.505 -0.147 19955 3963 1 6 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.363 0.333 19955 3964 1 6 . 1 1 797 797 PRO C C 797 175.805 175.805 175.304 0.501 19955 3965 1 6 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.400 -0.243 19955 3966 1 6 . 1 1 797 797 PRO CB C 797 32.377 32.377 32.465 -0.088 19955 3967 1 6 . 1 1 798 798 ALA N N 798 123.383 123.383 122.689 0.694 19955 3968 1 6 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.755 -0.056 19955 3969 1 6 . 1 1 798 798 ALA C C 798 173.534 173.534 175.157 -1.623 19955 3970 1 6 . 1 1 798 798 ALA CA C 798 50.823 50.823 50.263 0.560 19955 3971 1 6 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.146 0.577 19955 3972 1 6 . 1 1 798 798 ALA H H 798 8.820 8.820 8.734 0.086 19955 3973 1 6 . 1 1 799 799 ARG N N 799 118.968 118.968 121.213 -2.245 19955 3974 1 6 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.681 0.660 19955 3975 1 6 . 1 1 799 799 ARG C C 799 176.215 176.215 174.602 1.613 19955 3976 1 6 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.390 -1.268 19955 3977 1 6 . 1 1 799 799 ARG CB C 799 34.439 34.439 34.011 0.428 19955 3978 1 6 . 1 1 799 799 ARG H H 799 8.803 8.803 8.013 0.790 19955 3979 1 6 . 1 1 800 800 ALA N N 800 128.073 128.073 129.818 -1.745 19955 3980 1 6 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.720 -0.183 19955 3981 1 6 . 1 1 800 800 ALA C C 800 178.146 178.146 176.968 1.178 19955 3982 1 6 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.117 1.091 19955 3983 1 6 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.768 -1.114 19955 3984 1 6 . 1 1 800 800 ALA H H 800 9.037 9.037 8.533 0.504 19955 3985 1 6 . 1 1 801 801 LYS N N 801 127.334 127.334 125.158 2.176 19955 3986 1 6 . 1 1 801 801 LYS HA H 801 3.758 3.758 3.891 -0.133 19955 3987 1 6 . 1 1 801 801 LYS C C 801 174.213 174.213 175.993 -1.780 19955 3988 1 6 . 1 1 801 801 LYS CA C 801 57.344 57.344 58.540 -1.196 19955 3989 1 6 . 1 1 801 801 LYS CB C 801 33.647 33.647 32.958 0.689 19955 3990 1 6 . 1 1 801 801 LYS H H 801 9.291 9.291 8.323 0.968 19955 3991 1 6 . 1 1 802 802 PHE N N 802 111.696 111.696 116.084 -4.388 19955 3992 1 6 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.685 0.056 19955 3993 1 6 . 1 1 802 802 PHE C C 802 173.408 173.408 174.398 -0.990 19955 3994 1 6 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.061 -2.692 19955 3995 1 6 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.594 0.648 19955 3996 1 6 . 1 1 802 802 PHE H H 802 7.069 7.069 7.618 -0.549 19955 3997 1 6 . 1 1 803 803 ASP N N 803 117.498 117.498 120.276 -2.778 19955 3998 1 6 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.858 -0.334 19955 3999 1 6 . 1 1 803 803 ASP C C 803 175.782 175.782 174.946 0.836 19955 4000 1 6 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.468 1.258 19955 4001 1 6 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.001 0.153 19955 4002 1 6 . 1 1 803 803 ASP H H 803 8.339 8.339 8.683 -0.344 19955 4003 1 6 . 1 1 804 804 PHE N N 804 123.264 123.264 122.999 0.265 19955 4004 1 6 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.875 0.117 19955 4005 1 6 . 1 1 804 804 PHE C C 804 173.750 173.750 173.672 0.078 19955 4006 1 6 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.577 -0.356 19955 4007 1 6 . 1 1 804 804 PHE CB C 804 42.132 42.132 43.402 -1.270 19955 4008 1 6 . 1 1 804 804 PHE H H 804 9.223 9.223 9.172 0.051 19955 4009 1 6 . 1 1 805 805 LYS N N 805 129.548 129.548 126.089 3.459 19955 4010 1 6 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.310 -0.189 19955 4011 1 6 . 1 1 805 805 LYS C C 805 174.042 174.042 174.055 -0.013 19955 4012 1 6 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.228 0.140 19955 4013 1 6 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.569 -1.788 19955 4014 1 6 . 1 1 805 805 LYS H H 805 8.125 8.125 7.944 0.181 19955 4015 1 6 . 1 1 806 806 ALA N N 806 127.231 127.231 124.865 2.366 19955 4016 1 6 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.085 -0.203 19955 4017 1 6 . 1 1 806 806 ALA C C 806 178.066 178.066 177.013 1.053 19955 4018 1 6 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.118 -0.520 19955 4019 1 6 . 1 1 806 806 ALA CB C 806 20.505 20.505 18.864 1.641 19955 4020 1 6 . 1 1 806 806 ALA H H 806 7.291 7.291 8.245 -0.954 19955 4021 1 6 . 1 1 807 807 GLN N N 807 121.482 121.482 123.160 -1.678 19955 4022 1 6 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.041 0.285 19955 4023 1 6 . 1 1 807 807 GLN C C 807 175.927 175.927 175.257 0.670 19955 4024 1 6 . 1 1 807 807 GLN CA C 807 56.206 56.206 57.958 -1.752 19955 4025 1 6 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.178 1.764 19955 4026 1 6 . 1 1 807 807 GLN H H 807 9.375 9.375 8.880 0.495 19955 4027 1 6 . 1 1 808 808 THR N N 808 108.842 108.842 106.959 1.883 19955 4028 1 6 . 1 1 808 808 THR HA H 808 4.661 4.661 4.429 0.232 19955 4029 1 6 . 1 1 808 808 THR C C 808 175.262 175.262 174.922 0.340 19955 4030 1 6 . 1 1 808 808 THR CA C 808 59.313 59.313 59.799 -0.486 19955 4031 1 6 . 1 1 808 808 THR CB C 808 71.810 71.810 71.632 0.178 19955 4032 1 6 . 1 1 808 808 THR H H 808 7.472 7.472 7.425 0.047 19955 4033 1 6 . 1 1 809 809 LEU N N 809 119.518 119.518 116.772 2.746 19955 4034 1 6 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.086 0.114 19955 4035 1 6 . 1 1 809 809 LEU C C 809 177.895 177.895 177.123 0.772 19955 4036 1 6 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.325 -0.238 19955 4037 1 6 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.468 0.433 19955 4038 1 6 . 1 1 809 809 LEU H H 809 8.387 8.387 8.451 -0.064 19955 4039 1 6 . 1 1 810 810 LYS N N 810 115.587 115.587 115.789 -0.202 19955 4040 1 6 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.037 0.193 19955 4041 1 6 . 1 1 810 810 LYS C C 810 177.172 177.172 177.015 0.157 19955 4042 1 6 . 1 1 810 810 LYS CA C 810 56.807 56.807 57.759 -0.952 19955 4043 1 6 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.345 0.714 19955 4044 1 6 . 1 1 810 810 LYS H H 810 7.707 7.707 7.994 -0.287 19955 4045 1 6 . 1 1 811 811 GLU N N 811 119.522 119.522 117.189 2.333 19955 4046 1 6 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.133 0.566 19955 4047 1 6 . 1 1 811 811 GLU C C 811 174.240 174.240 175.111 -0.871 19955 4048 1 6 . 1 1 811 811 GLU CA C 811 55.419 55.419 55.515 -0.096 19955 4049 1 6 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.336 2.018 19955 4050 1 6 . 1 1 811 811 GLU H H 811 7.244 7.244 7.647 -0.403 19955 4051 1 6 . 1 1 812 812 LEU N N 812 126.910 126.910 120.390 6.520 19955 4052 1 6 . 1 1 812 812 LEU C C 812 172.269 172.269 174.605 -2.336 19955 4053 1 6 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.362 -0.851 19955 4054 1 6 . 1 1 812 812 LEU CB C 812 45.092 45.092 45.595 -0.503 19955 4055 1 6 . 1 1 812 812 LEU H H 812 9.168 9.168 7.782 1.386 19955 4056 1 6 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.813 -0.376 19955 4057 1 6 . 1 1 813 813 PRO C C 813 176.755 176.755 175.405 1.350 19955 4058 1 6 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.642 -0.097 19955 4059 1 6 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.803 -0.828 19955 4060 1 6 . 1 1 814 814 LEU N N 814 118.726 118.726 121.610 -2.884 19955 4061 1 6 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.862 -0.216 19955 4062 1 6 . 1 1 814 814 LEU C C 814 176.452 176.452 175.727 0.725 19955 4063 1 6 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.214 0.177 19955 4064 1 6 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.208 0.688 19955 4065 1 6 . 1 1 814 814 LEU H H 814 8.532 8.532 9.128 -0.596 19955 4066 1 6 . 1 1 815 815 GLN N N 815 123.473 123.473 121.521 1.952 19955 4067 1 6 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.605 0.146 19955 4068 1 6 . 1 1 815 815 GLN C C 815 174.820 174.820 174.664 0.156 19955 4069 1 6 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.881 -0.545 19955 4070 1 6 . 1 1 815 815 GLN CB C 815 31.094 31.094 31.850 -0.756 19955 4071 1 6 . 1 1 815 815 GLN H H 815 8.938 8.938 8.534 0.404 19955 4072 1 6 . 1 1 816 816 LYS N N 816 122.982 122.982 125.553 -2.571 19955 4073 1 6 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.764 -0.649 19955 4074 1 6 . 1 1 816 816 LYS C C 816 177.030 177.030 177.498 -0.468 19955 4075 1 6 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.213 0.463 19955 4076 1 6 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.966 0.276 19955 4077 1 6 . 1 1 816 816 LYS H H 816 8.888 8.888 8.975 -0.087 19955 4078 1 6 . 1 1 817 817 GLY N N 817 115.370 115.370 115.576 -0.206 19955 4079 1 6 . 1 1 817 817 GLY C C 817 174.271 174.271 174.503 -0.232 19955 4080 1 6 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.506 0.155 19955 4081 1 6 . 1 1 817 817 GLY H H 817 8.870 8.870 8.804 0.066 19955 4082 1 6 . 1 1 818 818 ASP N N 818 123.102 123.102 122.158 0.944 19955 4083 1 6 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.598 -0.269 19955 4084 1 6 . 1 1 818 818 ASP C C 818 175.076 175.076 175.741 -0.665 19955 4085 1 6 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.270 1.325 19955 4086 1 6 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.870 -0.332 19955 4087 1 6 . 1 1 818 818 ASP H H 818 8.468 8.468 8.105 0.363 19955 4088 1 6 . 1 1 819 819 ILE N N 819 121.053 121.053 123.189 -2.136 19955 4089 1 6 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.596 0.224 19955 4090 1 6 . 1 1 819 819 ILE C C 819 175.630 175.630 175.719 -0.089 19955 4091 1 6 . 1 1 819 819 ILE CA C 819 58.602 58.602 58.952 -0.350 19955 4092 1 6 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.656 -1.115 19955 4093 1 6 . 1 1 819 819 ILE H H 819 8.286 8.286 8.091 0.195 19955 4094 1 6 . 1 1 820 820 VAL N N 820 124.554 124.554 120.128 4.426 19955 4095 1 6 . 1 1 820 820 VAL HA H 820 4.679 4.679 4.984 -0.305 19955 4096 1 6 . 1 1 820 820 VAL C C 820 172.751 172.751 174.014 -1.263 19955 4097 1 6 . 1 1 820 820 VAL CA C 820 57.861 57.861 59.346 -1.485 19955 4098 1 6 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.400 -1.028 19955 4099 1 6 . 1 1 820 820 VAL H H 820 8.717 8.717 8.403 0.314 19955 4100 1 6 . 1 1 821 821 TYR N N 821 120.296 120.296 121.352 -1.056 19955 4101 1 6 . 1 1 821 821 TYR HA H 821 4.803 4.803 5.222 -0.419 19955 4102 1 6 . 1 1 821 821 TYR C C 821 175.760 175.760 176.191 -0.431 19955 4103 1 6 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.200 0.638 19955 4104 1 6 . 1 1 821 821 TYR CB C 821 40.132 40.132 40.617 -0.485 19955 4105 1 6 . 1 1 821 821 TYR H H 821 8.360 8.360 8.899 -0.539 19955 4106 1 6 . 1 1 822 822 ILE N N 822 123.440 123.440 124.301 -0.861 19955 4107 1 6 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.663 -0.798 19955 4108 1 6 . 1 1 822 822 ILE C C 822 176.541 176.541 176.279 0.262 19955 4109 1 6 . 1 1 822 822 ILE CA C 822 62.327 62.327 59.542 2.785 19955 4110 1 6 . 1 1 822 822 ILE CB C 822 39.429 39.429 36.691 2.738 19955 4111 1 6 . 1 1 822 822 ILE H H 822 8.991 8.991 8.653 0.338 19955 4112 1 6 . 1 1 823 823 TYR N N 823 127.197 127.197 126.545 0.652 19955 4113 1 6 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.884 0.184 19955 4114 1 6 . 1 1 823 823 TYR C C 823 176.327 176.327 174.726 1.601 19955 4115 1 6 . 1 1 823 823 TYR CA C 823 56.331 56.331 56.659 -0.328 19955 4116 1 6 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.984 -2.699 19955 4117 1 6 . 1 1 823 823 TYR H H 823 9.699 9.699 8.424 1.275 19955 4118 1 6 . 1 1 824 824 LYS N N 824 113.691 113.691 120.028 -6.337 19955 4119 1 6 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.259 0.405 19955 4120 1 6 . 1 1 824 824 LYS C C 824 174.044 174.044 173.611 0.433 19955 4121 1 6 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.959 -0.658 19955 4122 1 6 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.194 0.910 19955 4123 1 6 . 1 1 824 824 LYS H H 824 7.904 7.904 7.308 0.596 19955 4124 1 6 . 1 1 825 825 GLN N N 825 122.998 122.998 124.965 -1.967 19955 4125 1 6 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.411 0.203 19955 4126 1 6 . 1 1 825 825 GLN C C 825 175.372 175.372 174.892 0.480 19955 4127 1 6 . 1 1 825 825 GLN CA C 825 55.970 55.970 56.138 -0.168 19955 4128 1 6 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.506 -0.492 19955 4129 1 6 . 1 1 825 825 GLN H H 825 9.091 9.091 8.734 0.357 19955 4130 1 6 . 1 1 826 826 ILE N N 826 126.911 126.911 126.466 0.445 19955 4131 1 6 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.201 -0.251 19955 4132 1 6 . 1 1 826 826 ILE C C 826 175.447 175.447 176.487 -1.040 19955 4133 1 6 . 1 1 826 826 ILE CA C 826 62.062 62.062 62.237 -0.175 19955 4134 1 6 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.590 -0.411 19955 4135 1 6 . 1 1 826 826 ILE H H 826 8.356 8.356 8.527 -0.171 19955 4136 1 6 . 1 1 827 827 ASP N N 827 118.575 118.575 117.574 1.001 19955 4137 1 6 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.938 -0.519 19955 4138 1 6 . 1 1 827 827 ASP C C 827 175.673 175.673 176.084 -0.411 19955 4139 1 6 . 1 1 827 827 ASP CA C 827 53.255 53.255 53.019 0.236 19955 4140 1 6 . 1 1 827 827 ASP CB C 827 40.120 40.120 42.995 -2.875 19955 4141 1 6 . 1 1 827 827 ASP H H 827 7.952 7.952 8.069 -0.117 19955 4142 1 6 . 1 1 828 828 GLN N N 828 113.633 113.633 118.821 -5.188 19955 4143 1 6 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.156 -0.284 19955 4144 1 6 . 1 1 828 828 GLN C C 828 175.745 175.745 176.624 -0.879 19955 4145 1 6 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.736 -0.475 19955 4146 1 6 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.988 -0.490 19955 4147 1 6 . 1 1 828 828 GLN H H 828 8.468 8.468 8.575 -0.107 19955 4148 1 6 . 1 1 829 829 ASN N N 829 114.412 114.412 115.045 -0.633 19955 4149 1 6 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.666 0.076 19955 4150 1 6 . 1 1 829 829 ASN C C 829 175.652 175.652 173.431 2.221 19955 4151 1 6 . 1 1 829 829 ASN CA C 829 53.641 53.641 52.791 0.850 19955 4152 1 6 . 1 1 829 829 ASN CB C 829 41.815 41.815 38.489 3.326 19955 4153 1 6 . 1 1 829 829 ASN H H 829 8.799 8.799 8.335 0.464 19955 4154 1 6 . 1 1 830 830 TRP N N 830 121.661 121.661 118.842 2.819 19955 4155 1 6 . 1 1 830 830 TRP HA H 830 4.810 4.810 5.204 -0.394 19955 4156 1 6 . 1 1 830 830 TRP C C 830 175.077 175.077 175.417 -0.340 19955 4157 1 6 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.374 0.916 19955 4158 1 6 . 1 1 830 830 TRP CB C 830 32.570 32.570 32.900 -0.330 19955 4159 1 6 . 1 1 830 830 TRP H H 830 8.033 8.033 7.124 0.909 19955 4160 1 6 . 1 1 831 831 TYR N N 831 120.163 120.163 117.563 2.600 19955 4161 1 6 . 1 1 831 831 TYR HA H 831 5.045 5.045 5.061 -0.016 19955 4162 1 6 . 1 1 831 831 TYR C C 831 173.672 173.672 172.704 0.968 19955 4163 1 6 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.078 0.294 19955 4164 1 6 . 1 1 831 831 TYR CB C 831 42.726 42.726 41.470 1.256 19955 4165 1 6 . 1 1 831 831 TYR H H 831 8.721 8.721 9.129 -0.408 19955 4166 1 6 . 1 1 832 832 GLU N N 832 117.935 117.935 120.436 -2.501 19955 4167 1 6 . 1 1 832 832 GLU HA H 832 4.937 4.937 5.085 -0.148 19955 4168 1 6 . 1 1 832 832 GLU C C 832 176.121 176.121 175.035 1.086 19955 4169 1 6 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.414 -0.010 19955 4170 1 6 . 1 1 832 832 GLU CB C 832 33.955 33.955 34.010 -0.055 19955 4171 1 6 . 1 1 832 832 GLU H H 832 8.696 8.696 8.298 0.398 19955 4172 1 6 . 1 1 833 833 GLY N N 833 115.171 115.171 111.112 4.059 19955 4173 1 6 . 1 1 833 833 GLY C C 833 168.962 168.962 172.225 -3.263 19955 4174 1 6 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.441 1.182 19955 4175 1 6 . 1 1 833 833 GLY H H 833 9.063 9.063 8.230 0.833 19955 4176 1 6 . 1 1 834 834 GLU N N 834 117.849 117.849 120.287 -2.438 19955 4177 1 6 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.461 0.228 19955 4178 1 6 . 1 1 834 834 GLU C C 834 175.077 175.077 175.150 -0.073 19955 4179 1 6 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.794 -0.828 19955 4180 1 6 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.373 1.671 19955 4181 1 6 . 1 1 834 834 GLU H H 834 8.708 8.708 9.280 -0.572 19955 4182 1 6 . 1 1 835 835 HIS N N 835 120.973 120.973 126.200 -5.227 19955 4183 1 6 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.105 -0.271 19955 4184 1 6 . 1 1 835 835 HIS C C 835 174.509 174.509 174.563 -0.054 19955 4185 1 6 . 1 1 835 835 HIS CA C 835 56.249 56.249 56.766 -0.517 19955 4186 1 6 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.613 0.598 19955 4187 1 6 . 1 1 835 835 HIS H H 835 8.799 8.799 9.405 -0.606 19955 4188 1 6 . 1 1 836 836 HIS N N 836 125.728 125.728 126.361 -0.633 19955 4189 1 6 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.014 0.152 19955 4190 1 6 . 1 1 836 836 HIS C C 836 175.012 175.012 174.671 0.341 19955 4191 1 6 . 1 1 836 836 HIS CA C 836 55.689 55.689 57.076 -1.387 19955 4192 1 6 . 1 1 836 836 HIS CB C 836 27.994 27.994 29.291 -1.298 19955 4193 1 6 . 1 1 836 836 HIS H H 836 9.163 9.163 9.183 -0.020 19955 4194 1 6 . 1 1 837 837 GLY N N 837 104.909 104.909 103.800 1.109 19955 4195 1 6 . 1 1 837 837 GLY C C 837 173.235 173.235 174.267 -1.032 19955 4196 1 6 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.380 0.274 19955 4197 1 6 . 1 1 837 837 GLY H H 837 9.070 9.070 8.762 0.308 19955 4198 1 6 . 1 1 838 838 ARG N N 838 122.925 122.925 119.723 3.202 19955 4199 1 6 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.819 -0.226 19955 4200 1 6 . 1 1 838 838 ARG C C 838 173.682 173.682 174.639 -0.957 19955 4201 1 6 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.368 0.513 19955 4202 1 6 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.779 -1.721 19955 4203 1 6 . 1 1 838 838 ARG H H 838 7.814 7.814 7.902 -0.088 19955 4204 1 6 . 1 1 839 839 VAL N N 839 123.572 123.572 120.462 3.110 19955 4205 1 6 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.305 -0.171 19955 4206 1 6 . 1 1 839 839 VAL C C 839 177.296 177.296 175.138 2.158 19955 4207 1 6 . 1 1 839 839 VAL CA C 839 60.200 60.200 60.910 -0.710 19955 4208 1 6 . 1 1 839 839 VAL CB C 839 33.994 33.994 34.705 -0.711 19955 4209 1 6 . 1 1 839 839 VAL H H 839 8.360 8.360 8.317 0.043 19955 4210 1 6 . 1 1 840 840 GLY N N 840 114.006 114.006 112.515 1.491 19955 4211 1 6 . 1 1 840 840 GLY C C 840 171.246 171.246 171.538 -0.292 19955 4212 1 6 . 1 1 840 840 GLY CA C 840 45.896 45.896 43.371 2.525 19955 4213 1 6 . 1 1 840 840 GLY H H 840 8.951 8.951 7.994 0.957 19955 4214 1 6 . 1 1 841 841 ILE N N 841 112.496 112.496 115.587 -3.091 19955 4215 1 6 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.647 1.234 19955 4216 1 6 . 1 1 841 841 ILE C C 841 176.120 176.120 172.970 3.150 19955 4217 1 6 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.563 0.804 19955 4218 1 6 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.858 -0.941 19955 4219 1 6 . 1 1 841 841 ILE H H 841 8.434 8.434 7.639 0.795 19955 4220 1 6 . 1 1 842 842 PHE N N 842 116.289 116.289 115.958 0.331 19955 4221 1 6 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.703 0.268 19955 4222 1 6 . 1 1 842 842 PHE C C 842 171.777 171.777 172.503 -0.726 19955 4223 1 6 . 1 1 842 842 PHE CA C 842 54.265 54.265 54.380 -0.115 19955 4224 1 6 . 1 1 842 842 PHE CB C 842 37.515 37.515 39.170 -1.655 19955 4225 1 6 . 1 1 842 842 PHE H H 842 8.408 8.408 8.262 0.146 19955 4226 1 6 . 1 1 843 843 PRO HA H 843 3.934 3.934 5.182 -1.248 19955 4227 1 6 . 1 1 843 843 PRO C C 843 178.228 178.228 178.608 -0.380 19955 4228 1 6 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.491 -0.878 19955 4229 1 6 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.970 -0.575 19955 4230 1 6 . 1 1 844 844 ARG N N 844 122.291 122.291 124.952 -2.661 19955 4231 1 6 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.005 -0.061 19955 4232 1 6 . 1 1 844 844 ARG C C 844 178.171 178.171 177.866 0.305 19955 4233 1 6 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.583 -0.965 19955 4234 1 6 . 1 1 844 844 ARG CB C 844 30.297 30.297 29.423 0.874 19955 4235 1 6 . 1 1 844 844 ARG H H 844 7.906 7.906 8.422 -0.516 19955 4236 1 6 . 1 1 845 845 THR N N 845 105.068 105.068 110.598 -5.530 19955 4237 1 6 . 1 1 845 845 THR HA H 845 4.159 4.159 4.112 0.047 19955 4238 1 6 . 1 1 845 845 THR C C 845 175.363 175.363 174.998 0.365 19955 4239 1 6 . 1 1 845 845 THR CA C 845 63.035 63.035 64.730 -1.695 19955 4240 1 6 . 1 1 845 845 THR CB C 845 69.022 69.022 68.547 0.475 19955 4241 1 6 . 1 1 845 845 THR H H 845 7.907 7.907 8.260 -0.353 19955 4242 1 6 . 1 1 846 846 TYR N N 846 118.977 118.977 119.352 -0.375 19955 4243 1 6 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.709 -0.174 19955 4244 1 6 . 1 1 846 846 TYR C C 846 174.917 174.917 174.369 0.548 19955 4245 1 6 . 1 1 846 846 TYR CA C 846 58.751 58.751 59.233 -0.482 19955 4246 1 6 . 1 1 846 846 TYR CB C 846 38.055 38.055 40.092 -2.037 19955 4247 1 6 . 1 1 846 846 TYR H H 846 7.611 7.611 8.025 -0.414 19955 4248 1 6 . 1 1 847 847 ILE N N 847 113.230 113.230 112.684 0.546 19955 4249 1 6 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.003 0.096 19955 4250 1 6 . 1 1 847 847 ILE C C 847 174.141 174.141 174.080 0.061 19955 4251 1 6 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.429 -0.975 19955 4252 1 6 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.019 0.172 19955 4253 1 6 . 1 1 847 847 ILE H H 847 7.390 7.390 7.400 -0.010 19955 4254 1 6 . 1 1 848 848 GLU N N 848 121.909 121.909 117.974 3.935 19955 4255 1 6 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.534 0.014 19955 4256 1 6 . 1 1 848 848 GLU C C 848 175.193 175.193 175.219 -0.026 19955 4257 1 6 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.468 -0.804 19955 4258 1 6 . 1 1 848 848 GLU CB C 848 32.624 32.624 32.888 -0.264 19955 4259 1 6 . 1 1 848 848 GLU H H 848 8.786 8.786 8.469 0.317 19955 4260 1 6 . 1 1 849 849 LEU N N 849 126.431 126.431 124.190 2.241 19955 4261 1 6 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.411 -0.320 19955 4262 1 6 . 1 1 849 849 LEU C C 849 177.019 177.019 175.911 1.108 19955 4263 1 6 . 1 1 849 849 LEU CA C 849 55.667 55.667 53.726 1.941 19955 4264 1 6 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.348 -0.806 19955 4265 1 6 . 1 1 849 849 LEU H H 849 8.730 8.730 8.435 0.295 19955 4266 1 6 . 1 1 850 850 LEU N N 850 123.942 123.942 124.414 -0.472 19955 4267 1 6 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.067 0.495 19955 4268 1 6 . 1 1 850 850 LEU C C 850 174.453 174.453 174.173 0.280 19955 4269 1 6 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.535 -1.730 19955 4270 1 6 . 1 1 850 850 LEU CB C 850 40.963 40.963 40.878 0.085 19955 4271 1 6 . 1 1 850 850 LEU H H 850 7.846 7.846 8.421 -0.575 19955 4272 1 6 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.350 -0.021 19955 4273 1 6 . 1 1 852 852 PRO C C 852 176.580 176.580 176.667 -0.087 19955 4274 1 6 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.692 -0.789 19955 4275 1 6 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.068 -0.303 19955 4276 1 6 . 1 1 853 853 ALA N N 853 124.102 124.102 126.753 -2.651 19955 4277 1 6 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.379 -0.139 19955 4278 1 6 . 1 1 853 853 ALA C C 853 177.767 177.767 177.281 0.486 19955 4279 1 6 . 1 1 853 853 ALA CA C 853 52.258 52.258 51.934 0.323 19955 4280 1 6 . 1 1 853 853 ALA CB C 853 19.516 19.516 18.837 0.679 19955 4281 1 6 . 1 1 853 853 ALA H H 853 8.354 8.354 8.079 0.275 19955 4282 1 6 . 1 1 854 854 GLU N N 854 120.540 120.540 120.955 -0.415 19955 4283 1 6 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.235 -0.032 19955 4284 1 6 . 1 1 854 854 GLU C C 854 176.402 176.402 175.650 0.752 19955 4285 1 6 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.785 -0.405 19955 4286 1 6 . 1 1 854 854 GLU CB C 854 30.432 30.432 30.064 0.368 19955 4287 1 6 . 1 1 854 854 GLU H H 854 8.348 8.348 7.940 0.408 19955 4288 1 6 . 1 1 855 855 LYS N N 855 122.717 122.717 123.683 -0.966 19955 4289 1 6 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.530 -0.315 19955 4290 1 6 . 1 1 855 855 LYS C C 855 176.078 176.078 176.257 -0.179 19955 4291 1 6 . 1 1 855 855 LYS CA C 855 56.018 56.018 55.234 0.784 19955 4292 1 6 . 1 1 855 855 LYS CB C 855 33.187 33.187 34.112 -0.925 19955 4293 1 6 . 1 1 855 855 LYS H H 855 8.305 8.305 8.284 0.021 19955 4294 1 6 . 1 1 856 856 ALA N N 856 125.584 125.584 124.800 0.784 19955 4295 1 6 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.137 0.104 19955 4296 1 6 . 1 1 856 856 ALA C C 856 177.276 177.276 177.848 -0.572 19955 4297 1 6 . 1 1 856 856 ALA CA C 856 52.046 52.046 53.731 -1.685 19955 4298 1 6 . 1 1 856 856 ALA CB C 856 19.294 19.294 18.919 0.375 19955 4299 1 6 . 1 1 856 856 ALA H H 856 8.219 8.219 8.338 -0.119 19955 4300 1 6 . 1 1 857 857 GLN N N 857 121.223 121.223 118.509 2.714 19955 4301 1 6 . 1 1 857 857 GLN C C 857 173.964 173.964 173.452 0.512 19955 4302 1 6 . 1 1 857 857 GLN CA C 857 53.490 53.490 53.063 0.427 19955 4303 1 6 . 1 1 857 857 GLN CB C 857 29.040 29.040 29.087 -0.047 19955 4304 1 6 . 1 1 857 857 GLN H H 857 8.333 8.333 8.026 0.307 19955 4305 1 6 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.503 -0.165 19955 4306 1 6 . 1 1 858 858 PRO C C 858 176.696 176.696 176.307 0.389 19955 4307 1 6 . 1 1 858 858 PRO CA C 858 62.910 62.910 62.592 0.318 19955 4308 1 6 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.592 -0.517 19955 4309 1 6 . 1 1 859 859 LYS N N 859 121.891 121.891 122.233 -0.342 19955 4310 1 6 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.124 0.066 19955 4311 1 6 . 1 1 859 859 LYS C C 859 176.382 176.382 176.258 0.124 19955 4312 1 6 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.434 -0.304 19955 4313 1 6 . 1 1 859 859 LYS CB C 859 33.070 33.070 32.826 0.244 19955 4314 1 6 . 1 1 859 859 LYS H H 859 8.355 8.355 8.361 -0.006 19955 4315 1 6 . 1 1 860 860 LYS N N 860 123.002 123.002 125.244 -2.242 19955 4316 1 6 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.163 0.082 19955 4317 1 6 . 1 1 860 860 LYS C C 860 176.131 176.131 176.544 -0.413 19955 4318 1 6 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.891 -1.039 19955 4319 1 6 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.489 0.659 19955 4320 1 6 . 1 1 860 860 LYS H H 860 8.267 8.267 8.358 -0.091 19955 4321 1 6 . 1 1 861 861 LEU N N 861 124.576 124.576 123.230 1.346 19955 4322 1 6 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.081 0.275 19955 4323 1 6 . 1 1 861 861 LEU C C 861 177.069 177.069 175.219 1.850 19955 4324 1 6 . 1 1 861 861 LEU CA C 861 54.795 54.795 55.489 -0.694 19955 4325 1 6 . 1 1 861 861 LEU CB C 861 42.350 42.350 42.247 0.103 19955 4326 1 6 . 1 1 861 861 LEU H H 861 8.316 8.316 8.384 -0.068 19955 4327 1 6 . 1 1 862 862 THR N N 862 117.878 117.878 116.124 1.754 19955 4328 1 6 . 1 1 862 862 THR HA H 862 4.729 4.729 4.766 -0.037 19955 4329 1 6 . 1 1 862 862 THR C C 862 172.639 172.639 172.582 0.057 19955 4330 1 6 . 1 1 862 862 THR CA C 862 59.644 59.644 59.014 0.630 19955 4331 1 6 . 1 1 862 862 THR CB C 862 69.476 69.476 70.021 -0.545 19955 4332 1 6 . 1 1 862 862 THR H H 862 8.162 8.162 7.789 0.373 19955 4333 1 6 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.451 -0.083 19955 4334 1 6 . 1 1 863 863 PRO C C 863 176.753 176.753 176.993 -0.240 19955 4335 1 6 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.889 0.303 19955 4336 1 6 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.250 -0.192 19955 4337 1 6 . 1 1 864 864 VAL N N 864 120.359 120.359 122.128 -1.769 19955 4338 1 6 . 1 1 864 864 VAL HA H 864 3.985 3.985 3.834 0.151 19955 4339 1 6 . 1 1 864 864 VAL C C 864 175.964 175.964 176.614 -0.650 19955 4340 1 6 . 1 1 864 864 VAL CA C 864 62.342 62.342 63.793 -1.451 19955 4341 1 6 . 1 1 864 864 VAL CB C 864 32.521 32.521 31.954 0.567 19955 4342 1 6 . 1 1 864 864 VAL H H 864 8.102 8.102 8.115 -0.013 19955 4343 1 6 . 1 1 865 865 GLN N N 865 124.642 124.642 119.302 5.340 19955 4344 1 6 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.109 0.177 19955 4345 1 6 . 1 1 865 865 GLN C C 865 175.443 175.443 175.870 -0.427 19955 4346 1 6 . 1 1 865 865 GLN CA C 865 55.595 55.595 56.216 -0.621 19955 4347 1 6 . 1 1 865 865 GLN CB C 865 29.739 29.739 29.009 0.730 19955 4348 1 6 . 1 1 865 865 GLN H H 865 8.333 8.333 8.021 0.312 19955 4349 1 6 . 1 1 866 866 VAL N N 866 123.436 123.436 123.019 0.417 19955 4350 1 6 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.112 -0.143 19955 4351 1 6 . 1 1 866 866 VAL C C 866 175.685 175.685 176.121 -0.436 19955 4352 1 6 . 1 1 866 866 VAL CA C 866 62.398 62.398 63.102 -0.704 19955 4353 1 6 . 1 1 866 866 VAL CB C 866 32.832 32.832 32.401 0.431 19955 4354 1 6 . 1 1 866 866 VAL H H 866 8.189 8.189 8.558 -0.369 19955 4355 1 6 . 1 1 867 867 LEU N N 867 127.515 127.515 119.675 7.840 19955 4356 1 6 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.585 -0.323 19955 4357 1 6 . 1 1 867 867 LEU C C 867 177.037 177.037 176.739 0.298 19955 4358 1 6 . 1 1 867 867 LEU CA C 867 55.688 55.688 54.642 1.046 19955 4359 1 6 . 1 1 867 867 LEU CB C 867 42.552 42.552 44.467 -1.915 19955 4360 1 6 . 1 1 867 867 LEU H H 867 8.679 8.679 7.653 1.026 19955 4361 1 6 . 1 1 868 868 GLU N N 868 120.794 120.794 124.110 -3.316 19955 4362 1 6 . 1 1 868 868 GLU HA H 868 4.219 4.219 3.978 0.241 19955 4363 1 6 . 1 1 868 868 GLU C C 868 175.353 175.353 175.789 -0.436 19955 4364 1 6 . 1 1 868 868 GLU CA C 868 55.753 55.753 58.204 -2.451 19955 4365 1 6 . 1 1 868 868 GLU CB C 868 31.419 31.419 29.812 1.607 19955 4366 1 6 . 1 1 868 868 GLU H H 868 8.272 8.272 8.753 -0.481 19955 4367 1 6 . 1 1 869 869 TYR N N 869 121.165 121.165 116.751 4.414 19955 4368 1 6 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.629 0.071 19955 4369 1 6 . 1 1 869 869 TYR C C 869 176.824 176.824 176.015 0.809 19955 4370 1 6 . 1 1 869 869 TYR CA C 869 56.809 56.809 57.130 -0.321 19955 4371 1 6 . 1 1 869 869 TYR CB C 869 38.650 38.650 41.151 -2.501 19955 4372 1 6 . 1 1 869 869 TYR H H 869 8.003 8.003 7.661 0.342 19955 4373 1 6 . 1 1 870 870 GLY N N 870 104.958 104.958 109.541 -4.583 19955 4374 1 6 . 1 1 870 870 GLY C C 870 173.846 173.846 173.487 0.359 19955 4375 1 6 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.267 -0.048 19955 4376 1 6 . 1 1 870 870 GLY H H 870 8.590 8.590 8.514 0.076 19955 4377 1 6 . 1 1 871 871 GLU N N 871 122.341 122.341 119.948 2.393 19955 4378 1 6 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.367 -0.145 19955 4379 1 6 . 1 1 871 871 GLU C C 871 173.827 173.827 174.787 -0.960 19955 4380 1 6 . 1 1 871 871 GLU CA C 871 55.859 55.859 55.118 0.741 19955 4381 1 6 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.005 0.929 19955 4382 1 6 . 1 1 871 871 GLU H H 871 9.246 9.246 7.926 1.320 19955 4383 1 6 . 1 1 872 872 ALA N N 872 126.709 126.709 124.254 2.455 19955 4384 1 6 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.321 -0.217 19955 4385 1 6 . 1 1 872 872 ALA C C 872 174.022 174.022 174.829 -0.807 19955 4386 1 6 . 1 1 872 872 ALA CA C 872 50.135 50.135 50.919 -0.784 19955 4387 1 6 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.880 1.618 19955 4388 1 6 . 1 1 872 872 ALA H H 872 9.266 9.266 8.973 0.293 19955 4389 1 6 . 1 1 873 873 ILE N N 873 118.554 118.554 120.749 -2.195 19955 4390 1 6 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.971 -0.357 19955 4391 1 6 . 1 1 873 873 ILE C C 873 176.132 176.132 175.226 0.906 19955 4392 1 6 . 1 1 873 873 ILE CA C 873 58.788 58.788 59.330 -0.542 19955 4393 1 6 . 1 1 873 873 ILE CB C 873 40.630 40.630 42.496 -1.866 19955 4394 1 6 . 1 1 873 873 ILE H H 873 8.522 8.522 8.400 0.122 19955 4395 1 6 . 1 1 874 874 ALA N N 874 129.739 129.739 130.434 -0.695 19955 4396 1 6 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.173 -0.136 19955 4397 1 6 . 1 1 874 874 ALA C C 874 178.259 178.259 177.212 1.047 19955 4398 1 6 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.784 0.553 19955 4399 1 6 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.285 1.993 19955 4400 1 6 . 1 1 874 874 ALA H H 874 8.608 8.608 8.158 0.450 19955 4401 1 6 . 1 1 875 875 LYS N N 875 127.308 127.308 122.427 4.881 19955 4402 1 6 . 1 1 875 875 LYS HA H 875 4.024 4.024 4.038 -0.014 19955 4403 1 6 . 1 1 875 875 LYS C C 875 174.098 174.098 175.831 -1.733 19955 4404 1 6 . 1 1 875 875 LYS CA C 875 57.099 57.099 57.674 -0.575 19955 4405 1 6 . 1 1 875 875 LYS CB C 875 33.984 33.984 33.091 0.893 19955 4406 1 6 . 1 1 875 875 LYS H H 875 9.298 9.298 8.353 0.945 19955 4407 1 6 . 1 1 876 876 PHE N N 876 113.423 113.423 116.734 -3.311 19955 4408 1 6 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.542 0.369 19955 4409 1 6 . 1 1 876 876 PHE C C 876 174.050 174.050 174.642 -0.592 19955 4410 1 6 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.909 -3.064 19955 4411 1 6 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.971 1.771 19955 4412 1 6 . 1 1 876 876 PHE H H 876 7.328 7.328 7.429 -0.101 19955 4413 1 6 . 1 1 877 877 ASN N N 877 116.437 116.437 120.517 -4.080 19955 4414 1 6 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.631 0.158 19955 4415 1 6 . 1 1 877 877 ASN C C 877 174.454 174.454 174.103 0.351 19955 4416 1 6 . 1 1 877 877 ASN CA C 877 53.535 53.535 53.923 -0.388 19955 4417 1 6 . 1 1 877 877 ASN CB C 877 38.207 38.207 39.157 -0.950 19955 4418 1 6 . 1 1 877 877 ASN H H 877 8.666 8.666 8.552 0.114 19955 4419 1 6 . 1 1 878 878 PHE N N 878 123.179 123.179 122.608 0.571 19955 4420 1 6 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.647 0.018 19955 4421 1 6 . 1 1 878 878 PHE C C 878 173.027 173.027 173.161 -0.134 19955 4422 1 6 . 1 1 878 878 PHE CA C 878 56.104 56.104 57.289 -1.185 19955 4423 1 6 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.391 -0.305 19955 4424 1 6 . 1 1 878 878 PHE H H 878 8.433 8.433 8.752 -0.319 19955 4425 1 6 . 1 1 879 879 ASN N N 879 127.113 127.113 125.077 2.036 19955 4426 1 6 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.889 -0.327 19955 4427 1 6 . 1 1 879 879 ASN C C 879 173.174 173.174 174.580 -1.406 19955 4428 1 6 . 1 1 879 879 ASN CA C 879 50.930 50.930 52.332 -1.402 19955 4429 1 6 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.555 -0.168 19955 4430 1 6 . 1 1 879 879 ASN H H 879 8.000 8.000 7.980 0.020 19955 4431 1 6 . 1 1 880 880 GLY N N 880 110.949 110.949 108.861 2.088 19955 4432 1 6 . 1 1 880 880 GLY C C 880 173.383 173.383 173.931 -0.548 19955 4433 1 6 . 1 1 880 880 GLY CA C 880 45.658 45.658 45.083 0.575 19955 4434 1 6 . 1 1 880 880 GLY H H 880 7.997 7.997 8.395 -0.398 19955 4435 1 6 . 1 1 881 881 ASP N N 881 122.408 122.408 117.570 4.838 19955 4436 1 6 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.823 -0.190 19955 4437 1 6 . 1 1 881 881 ASP C C 881 176.286 176.286 175.678 0.608 19955 4438 1 6 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.364 0.832 19955 4439 1 6 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.980 1.160 19955 4440 1 6 . 1 1 881 881 ASP H H 881 8.796 8.796 8.729 0.067 19955 4441 1 6 . 1 1 882 882 THR N N 882 108.354 108.354 112.102 -3.748 19955 4442 1 6 . 1 1 882 882 THR HA H 882 4.583 4.583 4.713 -0.130 19955 4443 1 6 . 1 1 882 882 THR C C 882 175.948 175.948 175.833 0.115 19955 4444 1 6 . 1 1 882 882 THR CA C 882 60.352 60.352 59.724 0.628 19955 4445 1 6 . 1 1 882 882 THR CB C 882 71.649 71.649 71.273 0.376 19955 4446 1 6 . 1 1 882 882 THR H H 882 7.541 7.541 7.553 -0.012 19955 4447 1 6 . 1 1 883 883 GLN N N 883 118.622 118.622 121.953 -3.331 19955 4448 1 6 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.064 0.088 19955 4449 1 6 . 1 1 883 883 GLN C C 883 176.478 176.478 176.758 -0.280 19955 4450 1 6 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.712 -0.516 19955 4451 1 6 . 1 1 883 883 GLN CB C 883 28.669 28.669 27.914 0.755 19955 4452 1 6 . 1 1 883 883 GLN H H 883 8.710 8.710 8.887 -0.177 19955 4453 1 6 . 1 1 884 884 VAL N N 884 111.473 111.473 111.249 0.224 19955 4454 1 6 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.948 0.259 19955 4455 1 6 . 1 1 884 884 VAL C C 884 176.430 176.430 175.371 1.059 19955 4456 1 6 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.928 -1.635 19955 4457 1 6 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.238 0.686 19955 4458 1 6 . 1 1 884 884 VAL H H 884 7.260 7.260 7.956 -0.696 19955 4459 1 6 . 1 1 885 885 GLU N N 885 121.794 121.794 119.230 2.564 19955 4460 1 6 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.702 0.206 19955 4461 1 6 . 1 1 885 885 GLU C C 885 175.369 175.369 175.226 0.143 19955 4462 1 6 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.273 0.037 19955 4463 1 6 . 1 1 885 885 GLU CB C 885 31.789 31.789 31.648 0.141 19955 4464 1 6 . 1 1 885 885 GLU H H 885 7.455 7.455 7.687 -0.232 19955 4465 1 6 . 1 1 886 886 MET N N 886 125.473 125.473 122.996 2.477 19955 4466 1 6 . 1 1 886 886 MET HA H 886 4.534 4.534 4.875 -0.341 19955 4467 1 6 . 1 1 886 886 MET C C 886 172.841 172.841 175.598 -2.757 19955 4468 1 6 . 1 1 886 886 MET CA C 886 54.129 54.129 53.558 0.571 19955 4469 1 6 . 1 1 886 886 MET CB C 886 35.157 35.157 34.644 0.513 19955 4470 1 6 . 1 1 886 886 MET H H 886 8.996 8.996 8.808 0.188 19955 4471 1 6 . 1 1 887 887 SER N N 887 118.425 118.425 121.525 -3.100 19955 4472 1 6 . 1 1 887 887 SER HA H 887 4.402 4.402 4.608 -0.206 19955 4473 1 6 . 1 1 887 887 SER C C 887 174.667 174.667 173.607 1.060 19955 4474 1 6 . 1 1 887 887 SER CA C 887 58.612 58.612 58.080 0.532 19955 4475 1 6 . 1 1 887 887 SER CB C 887 64.186 64.186 64.334 -0.148 19955 4476 1 6 . 1 1 887 887 SER H H 887 7.888 7.888 8.579 -0.691 19955 4477 1 6 . 1 1 888 888 PHE N N 888 116.363 116.363 115.089 1.274 19955 4478 1 6 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.954 -0.440 19955 4479 1 6 . 1 1 888 888 PHE C C 888 174.756 174.756 173.299 1.457 19955 4480 1 6 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.748 -0.212 19955 4481 1 6 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.553 -0.751 19955 4482 1 6 . 1 1 888 888 PHE H H 888 8.780 8.780 8.255 0.525 19955 4483 1 6 . 1 1 889 889 ARG N N 889 121.944 121.944 119.633 2.311 19955 4484 1 6 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.639 0.333 19955 4485 1 6 . 1 1 889 889 ARG C C 889 175.318 175.318 176.721 -1.403 19955 4486 1 6 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.324 -1.026 19955 4487 1 6 . 1 1 889 889 ARG CB C 889 32.886 32.886 32.423 0.463 19955 4488 1 6 . 1 1 889 889 ARG H H 889 10.187 10.187 9.189 0.998 19955 4489 1 6 . 1 1 890 890 LYS N N 890 119.991 119.991 122.730 -2.739 19955 4490 1 6 . 1 1 890 890 LYS HA H 890 3.248 3.248 4.161 -0.913 19955 4491 1 6 . 1 1 890 890 LYS C C 890 176.504 176.504 176.283 0.221 19955 4492 1 6 . 1 1 890 890 LYS CA C 890 58.396 58.396 57.399 0.997 19955 4493 1 6 . 1 1 890 890 LYS CB C 890 32.829 32.829 30.738 2.091 19955 4494 1 6 . 1 1 890 890 LYS H H 890 8.360 8.360 8.736 -0.376 19955 4495 1 6 . 1 1 891 891 GLY N N 891 113.950 113.950 109.385 4.565 19955 4496 1 6 . 1 1 891 891 GLY C C 891 174.298 174.298 173.859 0.439 19955 4497 1 6 . 1 1 891 891 GLY CA C 891 44.668 44.668 45.182 -0.514 19955 4498 1 6 . 1 1 891 891 GLY H H 891 8.673 8.673 8.621 0.052 19955 4499 1 6 . 1 1 892 892 GLU N N 892 119.511 119.511 121.026 -1.515 19955 4500 1 6 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.517 -0.401 19955 4501 1 6 . 1 1 892 892 GLU C C 892 174.618 174.618 175.831 -1.213 19955 4502 1 6 . 1 1 892 892 GLU CA C 892 59.515 59.515 55.347 4.168 19955 4503 1 6 . 1 1 892 892 GLU CB C 892 30.581 30.581 31.434 -0.853 19955 4504 1 6 . 1 1 892 892 GLU H H 892 7.856 7.856 7.875 -0.019 19955 4505 1 6 . 1 1 893 893 ARG N N 893 122.979 122.979 120.546 2.433 19955 4506 1 6 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.789 -0.192 19955 4507 1 6 . 1 1 893 893 ARG C C 893 174.836 174.836 175.930 -1.094 19955 4508 1 6 . 1 1 893 893 ARG CA C 893 55.528 55.528 55.996 -0.468 19955 4509 1 6 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.680 -0.640 19955 4510 1 6 . 1 1 893 893 ARG H H 893 8.120 8.120 8.581 -0.461 19955 4511 1 6 . 1 1 894 894 ILE N N 894 122.659 122.659 121.983 0.676 19955 4512 1 6 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.343 -0.280 19955 4513 1 6 . 1 1 894 894 ILE C C 894 175.789 175.789 174.505 1.284 19955 4514 1 6 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.213 0.053 19955 4515 1 6 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.480 0.947 19955 4516 1 6 . 1 1 894 894 ILE H H 894 8.586 8.586 9.062 -0.476 19955 4517 1 6 . 1 1 895 895 THR N N 895 124.709 124.709 121.818 2.891 19955 4518 1 6 . 1 1 895 895 THR HA H 895 4.441 4.441 5.029 -0.588 19955 4519 1 6 . 1 1 895 895 THR C C 895 174.124 174.124 174.531 -0.407 19955 4520 1 6 . 1 1 895 895 THR CA C 895 62.837 62.837 61.001 1.836 19955 4521 1 6 . 1 1 895 895 THR CB C 895 69.246 69.246 69.379 -0.133 19955 4522 1 6 . 1 1 895 895 THR H H 895 9.078 9.078 8.926 0.152 19955 4523 1 6 . 1 1 896 896 LEU N N 896 122.648 122.648 127.867 -5.219 19955 4524 1 6 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.429 -0.040 19955 4525 1 6 . 1 1 896 896 LEU C C 896 174.836 174.836 176.529 -1.693 19955 4526 1 6 . 1 1 896 896 LEU H H 896 8.583 8.583 8.181 0.402 19955 4527 1 6 . 1 1 897 897 LEU N N 897 124.502 124.502 124.529 -0.027 19955 4528 1 6 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.622 -0.290 19955 4529 1 6 . 1 1 897 897 LEU C C 897 176.645 176.645 177.390 -0.745 19955 4530 1 6 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.830 0.396 19955 4531 1 6 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.289 -0.958 19955 4532 1 6 . 1 1 897 897 LEU H H 897 8.984 8.984 8.523 0.461 19955 4533 1 6 . 1 1 898 898 ARG N N 898 108.422 108.422 115.798 -7.376 19955 4534 1 6 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.652 -0.210 19955 4535 1 6 . 1 1 898 898 ARG C C 898 173.645 173.645 173.848 -0.203 19955 4536 1 6 . 1 1 898 898 ARG CA C 898 55.241 55.241 54.986 0.255 19955 4537 1 6 . 1 1 898 898 ARG CB C 898 31.609 31.609 32.156 -0.547 19955 4538 1 6 . 1 1 898 898 ARG H H 898 7.413 7.413 7.717 -0.304 19955 4539 1 6 . 1 1 899 899 GLN N N 899 124.503 124.503 121.837 2.666 19955 4540 1 6 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.606 -0.414 19955 4541 1 6 . 1 1 899 899 GLN C C 899 175.142 175.142 175.160 -0.018 19955 4542 1 6 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.371 0.925 19955 4543 1 6 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.809 -1.320 19955 4544 1 6 . 1 1 899 899 GLN H H 899 9.301 9.301 8.685 0.616 19955 4545 1 6 . 1 1 900 900 VAL N N 900 129.109 129.109 126.505 2.604 19955 4546 1 6 . 1 1 900 900 VAL HA H 900 3.666 3.666 4.195 -0.529 19955 4547 1 6 . 1 1 900 900 VAL C C 900 175.298 175.298 175.358 -0.060 19955 4548 1 6 . 1 1 900 900 VAL CA C 900 64.773 64.773 63.363 1.410 19955 4549 1 6 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.779 0.042 19955 4550 1 6 . 1 1 900 900 VAL H H 900 8.475 8.475 8.641 -0.166 19955 4551 1 6 . 1 1 901 901 ASP N N 901 118.573 118.573 118.300 0.273 19955 4552 1 6 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.795 -0.399 19955 4553 1 6 . 1 1 901 901 ASP C C 901 175.386 175.386 174.896 0.490 19955 4554 1 6 . 1 1 901 901 ASP CA C 901 53.300 53.300 53.357 -0.057 19955 4555 1 6 . 1 1 901 901 ASP CB C 901 40.163 40.163 43.339 -3.176 19955 4556 1 6 . 1 1 901 901 ASP H H 901 8.038 8.038 7.971 0.067 19955 4557 1 6 . 1 1 902 902 GLU N N 902 114.492 114.492 118.778 -4.286 19955 4558 1 6 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.191 -0.359 19955 4559 1 6 . 1 1 902 902 GLU C C 902 175.973 175.973 176.815 -0.842 19955 4560 1 6 . 1 1 902 902 GLU CA C 902 59.095 59.095 58.570 0.525 19955 4561 1 6 . 1 1 902 902 GLU CB C 902 29.507 29.507 29.767 -0.260 19955 4562 1 6 . 1 1 902 902 GLU H H 902 8.784 8.784 8.698 0.086 19955 4563 1 6 . 1 1 903 903 ASN N N 903 113.835 113.835 113.791 0.044 19955 4564 1 6 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.733 0.131 19955 4565 1 6 . 1 1 903 903 ASN C C 903 175.238 175.238 173.784 1.454 19955 4566 1 6 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.257 1.543 19955 4567 1 6 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.738 2.472 19955 4568 1 6 . 1 1 903 903 ASN H H 903 8.763 8.763 8.037 0.726 19955 4569 1 6 . 1 1 904 904 TRP N N 904 121.517 121.517 118.852 2.665 19955 4570 1 6 . 1 1 904 904 TRP HA H 904 4.950 4.950 5.177 -0.227 19955 4571 1 6 . 1 1 904 904 TRP C C 904 175.223 175.223 174.746 0.477 19955 4572 1 6 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.638 0.541 19955 4573 1 6 . 1 1 904 904 TRP CB C 904 31.286 31.286 33.464 -2.178 19955 4574 1 6 . 1 1 904 904 TRP H H 904 8.141 8.141 7.385 0.756 19955 4575 1 6 . 1 1 905 905 TYR N N 905 121.365 121.365 116.292 5.073 19955 4576 1 6 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.068 -0.152 19955 4577 1 6 . 1 1 905 905 TYR C C 905 173.702 173.702 172.649 1.053 19955 4578 1 6 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.434 0.027 19955 4579 1 6 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.425 1.976 19955 4580 1 6 . 1 1 905 905 TYR H H 905 8.550 8.550 8.418 0.132 19955 4581 1 6 . 1 1 906 906 GLU N N 906 117.356 117.356 121.398 -4.042 19955 4582 1 6 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.349 0.536 19955 4583 1 6 . 1 1 906 906 GLU C C 906 176.159 176.159 175.153 1.006 19955 4584 1 6 . 1 1 906 906 GLU CA C 906 54.795 54.795 54.397 0.398 19955 4585 1 6 . 1 1 906 906 GLU CB C 906 32.590 32.590 32.943 -0.353 19955 4586 1 6 . 1 1 906 906 GLU H H 906 8.707 8.707 8.663 0.044 19955 4587 1 6 . 1 1 907 907 GLY N N 907 114.506 114.506 111.758 2.748 19955 4588 1 6 . 1 1 907 907 GLY C C 907 169.408 169.408 171.752 -2.344 19955 4589 1 6 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.027 0.707 19955 4590 1 6 . 1 1 907 907 GLY H H 907 9.334 9.334 8.745 0.589 19955 4591 1 6 . 1 1 908 908 ARG N N 908 114.660 114.660 117.767 -3.107 19955 4592 1 6 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.222 0.155 19955 4593 1 6 . 1 1 908 908 ARG C C 908 173.981 173.981 175.020 -1.039 19955 4594 1 6 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.245 0.032 19955 4595 1 6 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.061 0.528 19955 4596 1 6 . 1 1 908 908 ARG H H 908 8.694 8.694 8.876 -0.182 19955 4597 1 6 . 1 1 909 909 ILE N N 909 124.579 124.579 122.519 2.060 19955 4598 1 6 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.442 0.477 19955 4599 1 6 . 1 1 909 909 ILE C C 909 175.024 175.024 174.952 0.072 19955 4600 1 6 . 1 1 909 909 ILE CA C 909 56.699 56.699 59.741 -3.042 19955 4601 1 6 . 1 1 909 909 ILE CB C 909 35.387 35.387 38.100 -2.713 19955 4602 1 6 . 1 1 909 909 ILE H H 909 7.757 7.757 8.127 -0.370 19955 4603 1 6 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.255 0.374 19955 4604 1 6 . 1 1 910 910 PRO C C 910 176.353 176.353 177.889 -1.536 19955 4605 1 6 . 1 1 910 910 PRO CA C 910 52.798 52.798 63.984 -11.186 19955 4606 1 6 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.767 -1.359 19955 4607 1 6 . 1 1 911 911 GLY N N 911 118.118 118.118 111.739 6.379 19955 4608 1 6 . 1 1 911 911 GLY C C 911 173.987 173.987 174.538 -0.551 19955 4609 1 6 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.197 0.135 19955 4610 1 6 . 1 1 911 911 GLY H H 911 7.869 7.869 8.685 -0.816 19955 4611 1 6 . 1 1 912 912 THR N N 912 109.041 109.041 111.895 -2.854 19955 4612 1 6 . 1 1 912 912 THR HA H 912 4.469 4.469 3.866 0.603 19955 4613 1 6 . 1 1 912 912 THR C C 912 174.144 174.144 174.183 -0.039 19955 4614 1 6 . 1 1 912 912 THR CA C 912 60.194 60.194 63.088 -2.894 19955 4615 1 6 . 1 1 912 912 THR CB C 912 72.812 72.812 67.105 5.707 19955 4616 1 6 . 1 1 912 912 THR H H 912 7.743 7.743 8.056 -0.313 19955 4617 1 6 . 1 1 913 913 SER N N 913 126.292 126.292 117.793 8.499 19955 4618 1 6 . 1 1 913 913 SER HA H 913 4.671 4.671 4.211 0.460 19955 4619 1 6 . 1 1 913 913 SER C C 913 174.781 174.781 174.504 0.277 19955 4620 1 6 . 1 1 913 913 SER CA C 913 57.411 57.411 60.888 -3.477 19955 4621 1 6 . 1 1 913 913 SER CB C 913 63.258 63.258 63.813 -0.555 19955 4622 1 6 . 1 1 913 913 SER H H 913 7.896 7.896 8.150 -0.254 19955 4623 1 6 . 1 1 914 914 ARG N N 914 124.284 124.284 118.022 6.262 19955 4624 1 6 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.569 -0.316 19955 4625 1 6 . 1 1 914 914 ARG C C 914 174.712 174.712 173.817 0.895 19955 4626 1 6 . 1 1 914 914 ARG CA C 914 56.960 56.960 56.095 0.865 19955 4627 1 6 . 1 1 914 914 ARG CB C 914 30.694 30.694 32.162 -1.468 19955 4628 1 6 . 1 1 914 914 ARG H H 914 8.631 8.631 7.973 0.658 19955 4629 1 6 . 1 1 915 915 GLN N N 915 124.297 124.297 125.171 -0.874 19955 4630 1 6 . 1 1 915 915 GLN HA H 915 5.381 5.381 4.981 0.400 19955 4631 1 6 . 1 1 915 915 GLN C C 915 174.377 174.377 174.377 0.000 19955 4632 1 6 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.948 0.618 19955 4633 1 6 . 1 1 915 915 GLN CB C 915 31.006 31.006 31.469 -0.463 19955 4634 1 6 . 1 1 915 915 GLN H H 915 8.054 8.054 8.558 -0.504 19955 4635 1 6 . 1 1 916 916 GLY N N 916 112.028 112.028 109.895 2.133 19955 4636 1 6 . 1 1 916 916 GLY C C 916 172.185 172.185 171.273 0.912 19955 4637 1 6 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.218 0.029 19955 4638 1 6 . 1 1 916 916 GLY H H 916 8.818 8.818 8.982 -0.164 19955 4639 1 6 . 1 1 917 917 ILE N N 917 113.634 113.634 115.220 -1.586 19955 4640 1 6 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.326 1.702 19955 4641 1 6 . 1 1 917 917 ILE C C 917 176.584 176.584 173.143 3.441 19955 4642 1 6 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.182 1.797 19955 4643 1 6 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.842 0.383 19955 4644 1 6 . 1 1 917 917 ILE H H 917 8.714 8.714 7.493 1.221 19955 4645 1 6 . 1 1 918 918 PHE N N 918 115.806 115.806 117.812 -2.006 19955 4646 1 6 . 1 1 918 918 PHE C C 918 170.959 170.959 172.555 -1.596 19955 4647 1 6 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.521 0.098 19955 4648 1 6 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.050 -0.427 19955 4649 1 6 . 1 1 918 918 PHE H H 918 8.573 8.573 7.245 1.328 19955 4650 1 6 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.333 -0.233 19955 4651 1 6 . 1 1 919 919 PRO C C 919 178.655 178.655 177.905 0.750 19955 4652 1 6 . 1 1 919 919 PRO CA C 919 60.998 60.998 62.298 -1.300 19955 4653 1 6 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.595 -0.385 19955 4654 1 6 . 1 1 920 920 ILE N N 920 123.677 123.677 125.160 -1.483 19955 4655 1 6 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.862 -0.171 19955 4656 1 6 . 1 1 920 920 ILE C C 920 176.798 176.798 177.955 -1.157 19955 4657 1 6 . 1 1 920 920 ILE CA C 920 63.373 63.373 65.455 -2.082 19955 4658 1 6 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.819 1.032 19955 4659 1 6 . 1 1 920 920 ILE H H 920 7.949 7.949 8.170 -0.221 19955 4660 1 6 . 1 1 921 921 THR N N 921 106.993 106.993 114.390 -7.397 19955 4661 1 6 . 1 1 921 921 THR HA H 921 4.294 4.294 4.140 0.154 19955 4662 1 6 . 1 1 921 921 THR C C 921 175.639 175.639 175.365 0.274 19955 4663 1 6 . 1 1 921 921 THR CA C 921 62.983 62.983 66.027 -3.044 19955 4664 1 6 . 1 1 921 921 THR CB C 921 69.104 69.104 68.468 0.636 19955 4665 1 6 . 1 1 921 921 THR H H 921 7.500 7.500 8.504 -1.004 19955 4666 1 6 . 1 1 922 922 TYR N N 922 118.600 118.600 119.022 -0.422 19955 4667 1 6 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.879 -0.239 19955 4668 1 6 . 1 1 922 922 TYR C C 922 175.481 175.481 175.181 0.300 19955 4669 1 6 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.309 2.139 19955 4670 1 6 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.829 -0.229 19955 4671 1 6 . 1 1 922 922 TYR H H 922 7.836 7.836 7.751 0.085 19955 4672 1 6 . 1 1 923 923 VAL N N 923 109.058 109.058 112.051 -2.993 19955 4673 1 6 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.753 0.206 19955 4674 1 6 . 1 1 923 923 VAL C C 923 172.905 172.905 173.702 -0.797 19955 4675 1 6 . 1 1 923 923 VAL CA C 923 58.490 58.490 59.172 -0.682 19955 4676 1 6 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.627 -0.340 19955 4677 1 6 . 1 1 923 923 VAL H H 923 7.701 7.701 8.062 -0.361 19955 4678 1 6 . 1 1 924 924 ASP N N 924 120.115 120.115 120.558 -0.443 19955 4679 1 6 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.901 0.033 19955 4680 1 6 . 1 1 924 924 ASP C C 924 175.863 175.863 174.748 1.115 19955 4681 1 6 . 1 1 924 924 ASP CA C 924 52.934 52.934 51.885 1.049 19955 4682 1 6 . 1 1 924 924 ASP CB C 924 42.263 42.263 43.813 -1.550 19955 4683 1 6 . 1 1 924 924 ASP H H 924 8.658 8.658 8.333 0.325 19955 4684 1 6 . 1 1 925 925 VAL N N 925 125.090 125.090 126.257 -1.167 19955 4685 1 6 . 1 1 925 925 VAL HA H 925 3.679 3.679 4.114 -0.435 19955 4686 1 6 . 1 1 925 925 VAL C C 925 175.620 175.620 175.803 -0.183 19955 4687 1 6 . 1 1 925 925 VAL CA C 925 64.215 64.215 61.547 2.668 19955 4688 1 6 . 1 1 925 925 VAL CB C 925 31.721 31.721 32.017 -0.297 19955 4689 1 6 . 1 1 925 925 VAL H H 925 8.911 8.911 8.393 0.518 19955 4690 1 6 . 1 1 926 926 ILE N N 926 129.390 129.390 128.162 1.228 19955 4691 1 6 . 1 1 926 926 ILE HA H 926 4.037 4.037 3.843 0.194 19955 4692 1 6 . 1 1 926 926 ILE C C 926 175.683 175.683 176.347 -0.664 19955 4693 1 6 . 1 1 926 926 ILE CA C 926 61.578 61.578 62.946 -1.367 19955 4694 1 6 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.364 0.183 19955 4695 1 6 . 1 1 926 926 ILE H H 926 8.519 8.519 8.617 -0.098 19955 4696 1 6 . 1 1 927 927 LYS N N 927 122.060 122.060 118.856 3.204 19955 4697 1 6 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.506 0.106 19955 4698 1 6 . 1 1 927 927 LYS C C 927 175.204 175.204 174.981 0.223 19955 4699 1 6 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.163 0.434 19955 4700 1 6 . 1 1 927 927 LYS CB C 927 35.633 35.633 34.941 0.692 19955 4701 1 6 . 1 1 927 927 LYS H H 927 8.017 8.017 7.446 0.571 19955 4702 1 6 . 1 1 928 928 ARG N N 928 126.441 126.441 124.781 1.660 19955 4703 1 6 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.357 0.070 19955 4704 1 6 . 1 1 928 928 ARG C C 928 173.959 173.959 175.720 -1.761 19955 4705 1 6 . 1 1 928 928 ARG CA C 928 55.488 55.488 55.184 0.304 19955 4706 1 6 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.584 0.129 19955 4707 1 6 . 1 1 928 928 ARG H H 928 8.729 8.729 8.646 0.083 19955 4708 1 6 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.276 0.237 19955 4709 1 6 . 1 1 929 929 PRO CA C 929 62.718 62.718 63.519 -0.801 19955 4710 1 6 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.063 -0.447 19955 4711 1 7 . 1 1 790 790 MET HA H 790 4.396 4.396 4.150 0.246 19955 4712 1 7 . 1 1 790 790 MET CA C 790 55.378 55.378 55.733 -0.355 19955 4713 1 7 . 1 1 790 790 MET CB C 790 32.960 32.960 31.830 1.130 19955 4714 1 7 . 1 1 791 791 SER N N 791 118.373 118.373 116.949 1.424 19955 4715 1 7 . 1 1 791 791 SER HA H 791 4.362 4.362 4.331 0.031 19955 4716 1 7 . 1 1 791 791 SER C C 791 175.043 175.043 175.348 -0.305 19955 4717 1 7 . 1 1 791 791 SER CA C 791 58.532 58.532 59.897 -1.365 19955 4718 1 7 . 1 1 791 791 SER CB C 791 63.749 63.749 63.849 -0.100 19955 4719 1 7 . 1 1 791 791 SER H H 791 8.657 8.657 7.438 1.219 19955 4720 1 7 . 1 1 792 792 GLY N N 792 111.254 111.254 114.277 -3.023 19955 4721 1 7 . 1 1 792 792 GLY C C 792 174.362 174.362 173.869 0.493 19955 4722 1 7 . 1 1 792 792 GLY CA C 792 45.539 45.539 44.597 0.942 19955 4723 1 7 . 1 1 792 792 GLY H H 792 8.560 8.560 8.566 -0.006 19955 4724 1 7 . 1 1 793 793 SER N N 793 115.369 115.369 114.435 0.934 19955 4725 1 7 . 1 1 793 793 SER HA H 793 4.409 4.409 4.127 0.282 19955 4726 1 7 . 1 1 793 793 SER C C 793 174.396 174.396 173.930 0.466 19955 4727 1 7 . 1 1 793 793 SER CA C 793 58.485 58.485 59.118 -0.633 19955 4728 1 7 . 1 1 793 793 SER CB C 793 63.845 63.845 62.867 0.979 19955 4729 1 7 . 1 1 793 793 SER H H 793 8.102 8.102 8.478 -0.376 19955 4730 1 7 . 1 1 794 794 GLU N N 794 122.660 122.660 120.063 2.597 19955 4731 1 7 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.195 0.015 19955 4732 1 7 . 1 1 794 794 GLU C C 794 175.970 175.970 176.031 -0.061 19955 4733 1 7 . 1 1 794 794 GLU CA C 794 56.849 56.849 57.393 -0.544 19955 4734 1 7 . 1 1 794 794 GLU CB C 794 30.261 30.261 30.350 -0.089 19955 4735 1 7 . 1 1 794 794 GLU H H 794 8.565 8.565 8.399 0.166 19955 4736 1 7 . 1 1 795 795 MET N N 795 119.544 119.544 119.630 -0.086 19955 4737 1 7 . 1 1 795 795 MET HA H 795 4.653 4.653 5.398 -0.745 19955 4738 1 7 . 1 1 795 795 MET C C 795 175.590 175.590 175.190 0.400 19955 4739 1 7 . 1 1 795 795 MET CA C 795 55.135 55.135 53.927 1.208 19955 4740 1 7 . 1 1 795 795 MET CB C 795 32.378 32.378 36.669 -4.290 19955 4741 1 7 . 1 1 795 795 MET H H 795 8.156 8.156 8.395 -0.239 19955 4742 1 7 . 1 1 796 796 ARG N N 796 122.177 122.177 120.033 2.144 19955 4743 1 7 . 1 1 796 796 ARG HA H 796 4.911 4.911 5.051 -0.140 19955 4744 1 7 . 1 1 796 796 ARG C C 796 173.378 173.378 173.773 -0.395 19955 4745 1 7 . 1 1 796 796 ARG CA C 796 52.935 52.935 52.784 0.151 19955 4746 1 7 . 1 1 796 796 ARG CB C 796 32.172 32.172 33.331 -1.159 19955 4747 1 7 . 1 1 796 796 ARG H H 796 8.358 8.358 8.581 -0.223 19955 4748 1 7 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.271 0.425 19955 4749 1 7 . 1 1 797 797 PRO C C 797 175.805 175.805 175.278 0.527 19955 4750 1 7 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.258 -0.101 19955 4751 1 7 . 1 1 797 797 PRO CB C 797 32.377 32.377 32.413 -0.037 19955 4752 1 7 . 1 1 798 798 ALA N N 798 123.383 123.383 122.889 0.494 19955 4753 1 7 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.710 -0.011 19955 4754 1 7 . 1 1 798 798 ALA C C 798 173.534 173.534 174.916 -1.382 19955 4755 1 7 . 1 1 798 798 ALA CA C 798 50.823 50.823 50.480 0.343 19955 4756 1 7 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.192 0.531 19955 4757 1 7 . 1 1 798 798 ALA H H 798 8.820 8.820 8.692 0.128 19955 4758 1 7 . 1 1 799 799 ARG N N 799 118.968 118.968 121.478 -2.510 19955 4759 1 7 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.977 0.364 19955 4760 1 7 . 1 1 799 799 ARG C C 799 176.215 176.215 175.083 1.132 19955 4761 1 7 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.040 -0.918 19955 4762 1 7 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.824 0.615 19955 4763 1 7 . 1 1 799 799 ARG H H 799 8.803 8.803 8.038 0.765 19955 4764 1 7 . 1 1 800 800 ALA N N 800 128.073 128.073 129.974 -1.901 19955 4765 1 7 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.408 0.129 19955 4766 1 7 . 1 1 800 800 ALA C C 800 178.146 178.146 176.749 1.397 19955 4767 1 7 . 1 1 800 800 ALA CA C 800 52.208 52.208 52.088 0.120 19955 4768 1 7 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.311 -0.657 19955 4769 1 7 . 1 1 800 800 ALA H H 800 9.037 9.037 8.962 0.075 19955 4770 1 7 . 1 1 801 801 LYS N N 801 127.334 127.334 127.117 0.217 19955 4771 1 7 . 1 1 801 801 LYS HA H 801 3.758 3.758 3.865 -0.107 19955 4772 1 7 . 1 1 801 801 LYS C C 801 174.213 174.213 175.960 -1.747 19955 4773 1 7 . 1 1 801 801 LYS CA C 801 57.344 57.344 58.564 -1.220 19955 4774 1 7 . 1 1 801 801 LYS CB C 801 33.647 33.647 32.932 0.715 19955 4775 1 7 . 1 1 801 801 LYS H H 801 9.291 9.291 8.612 0.679 19955 4776 1 7 . 1 1 802 802 PHE N N 802 111.696 111.696 115.342 -3.646 19955 4777 1 7 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.687 0.054 19955 4778 1 7 . 1 1 802 802 PHE C C 802 173.408 173.408 174.262 -0.854 19955 4779 1 7 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.422 -3.053 19955 4780 1 7 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.561 0.681 19955 4781 1 7 . 1 1 802 802 PHE H H 802 7.069 7.069 7.645 -0.576 19955 4782 1 7 . 1 1 803 803 ASP N N 803 117.498 117.498 120.263 -2.765 19955 4783 1 7 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.926 -0.402 19955 4784 1 7 . 1 1 803 803 ASP C C 803 175.782 175.782 174.963 0.819 19955 4785 1 7 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.698 1.028 19955 4786 1 7 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.002 0.152 19955 4787 1 7 . 1 1 803 803 ASP H H 803 8.339 8.339 8.725 -0.386 19955 4788 1 7 . 1 1 804 804 PHE N N 804 123.264 123.264 123.001 0.263 19955 4789 1 7 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.809 0.183 19955 4790 1 7 . 1 1 804 804 PHE C C 804 173.750 173.750 173.581 0.169 19955 4791 1 7 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.574 -0.353 19955 4792 1 7 . 1 1 804 804 PHE CB C 804 42.132 42.132 43.405 -1.273 19955 4793 1 7 . 1 1 804 804 PHE H H 804 9.223 9.223 9.195 0.028 19955 4794 1 7 . 1 1 805 805 LYS N N 805 129.548 129.548 126.737 2.811 19955 4795 1 7 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.429 -0.308 19955 4796 1 7 . 1 1 805 805 LYS C C 805 174.042 174.042 174.340 -0.298 19955 4797 1 7 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.160 0.208 19955 4798 1 7 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.480 -1.700 19955 4799 1 7 . 1 1 805 805 LYS H H 805 8.125 8.125 7.947 0.178 19955 4800 1 7 . 1 1 806 806 ALA N N 806 127.231 127.231 126.086 1.145 19955 4801 1 7 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.194 -0.312 19955 4802 1 7 . 1 1 806 806 ALA C C 806 178.066 178.066 177.393 0.673 19955 4803 1 7 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.486 -0.888 19955 4804 1 7 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.172 1.333 19955 4805 1 7 . 1 1 806 806 ALA H H 806 7.291 7.291 8.228 -0.937 19955 4806 1 7 . 1 1 807 807 GLN N N 807 121.482 121.482 120.757 0.725 19955 4807 1 7 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.138 0.188 19955 4808 1 7 . 1 1 807 807 GLN C C 807 175.927 175.927 175.208 0.719 19955 4809 1 7 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.920 -0.715 19955 4810 1 7 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.796 1.146 19955 4811 1 7 . 1 1 807 807 GLN H H 807 9.375 9.375 8.870 0.505 19955 4812 1 7 . 1 1 808 808 THR N N 808 108.842 108.842 108.725 0.117 19955 4813 1 7 . 1 1 808 808 THR HA H 808 4.661 4.661 4.552 0.109 19955 4814 1 7 . 1 1 808 808 THR C C 808 175.262 175.262 174.297 0.965 19955 4815 1 7 . 1 1 808 808 THR CA C 808 59.313 59.313 59.956 -0.643 19955 4816 1 7 . 1 1 808 808 THR CB C 808 71.810 71.810 71.243 0.567 19955 4817 1 7 . 1 1 808 808 THR H H 808 7.472 7.472 7.374 0.098 19955 4818 1 7 . 1 1 809 809 LEU N N 809 119.518 119.518 120.537 -1.019 19955 4819 1 7 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.086 0.114 19955 4820 1 7 . 1 1 809 809 LEU C C 809 177.895 177.895 178.174 -0.279 19955 4821 1 7 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.337 -0.251 19955 4822 1 7 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.909 -0.008 19955 4823 1 7 . 1 1 809 809 LEU H H 809 8.387 8.387 8.251 0.136 19955 4824 1 7 . 1 1 810 810 LYS N N 810 115.587 115.587 118.058 -2.471 19955 4825 1 7 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.009 0.221 19955 4826 1 7 . 1 1 810 810 LYS C C 810 177.172 177.172 176.548 0.624 19955 4827 1 7 . 1 1 810 810 LYS CA C 810 56.807 56.807 57.414 -0.607 19955 4828 1 7 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.602 0.457 19955 4829 1 7 . 1 1 810 810 LYS H H 810 7.707 7.707 7.830 -0.123 19955 4830 1 7 . 1 1 811 811 GLU N N 811 119.522 119.522 118.599 0.923 19955 4831 1 7 . 1 1 811 811 GLU HA H 811 4.699 4.699 3.815 0.884 19955 4832 1 7 . 1 1 811 811 GLU C C 811 174.240 174.240 175.419 -1.179 19955 4833 1 7 . 1 1 811 811 GLU CA C 811 55.419 55.419 56.705 -1.286 19955 4834 1 7 . 1 1 811 811 GLU CB C 811 32.354 32.354 29.709 2.645 19955 4835 1 7 . 1 1 811 811 GLU H H 811 7.244 7.244 7.355 -0.111 19955 4836 1 7 . 1 1 812 812 LEU N N 812 126.910 126.910 126.223 0.687 19955 4837 1 7 . 1 1 812 812 LEU C C 812 172.269 172.269 175.160 -2.891 19955 4838 1 7 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.342 -0.830 19955 4839 1 7 . 1 1 812 812 LEU CB C 812 45.092 45.092 43.145 1.947 19955 4840 1 7 . 1 1 812 812 LEU H H 812 9.168 9.168 7.603 1.565 19955 4841 1 7 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.703 -0.266 19955 4842 1 7 . 1 1 813 813 PRO C C 813 176.755 176.755 175.584 1.171 19955 4843 1 7 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.421 0.125 19955 4844 1 7 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.506 -0.531 19955 4845 1 7 . 1 1 814 814 LEU N N 814 118.726 118.726 122.406 -3.680 19955 4846 1 7 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.764 -0.118 19955 4847 1 7 . 1 1 814 814 LEU C C 814 176.452 176.452 175.390 1.062 19955 4848 1 7 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.475 -0.084 19955 4849 1 7 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.361 0.535 19955 4850 1 7 . 1 1 814 814 LEU H H 814 8.532 8.532 9.155 -0.623 19955 4851 1 7 . 1 1 815 815 GLN N N 815 123.473 123.473 121.097 2.376 19955 4852 1 7 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.602 0.149 19955 4853 1 7 . 1 1 815 815 GLN C C 815 174.820 174.820 174.786 0.034 19955 4854 1 7 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.690 -0.354 19955 4855 1 7 . 1 1 815 815 GLN CB C 815 31.094 31.094 31.708 -0.614 19955 4856 1 7 . 1 1 815 815 GLN H H 815 8.938 8.938 8.530 0.408 19955 4857 1 7 . 1 1 816 816 LYS N N 816 122.982 122.982 124.866 -1.884 19955 4858 1 7 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.896 -0.781 19955 4859 1 7 . 1 1 816 816 LYS C C 816 177.030 177.030 177.599 -0.569 19955 4860 1 7 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.131 0.545 19955 4861 1 7 . 1 1 816 816 LYS CB C 816 32.242 32.242 32.126 0.116 19955 4862 1 7 . 1 1 816 816 LYS H H 816 8.888 8.888 8.955 -0.067 19955 4863 1 7 . 1 1 817 817 GLY N N 817 115.370 115.370 115.584 -0.214 19955 4864 1 7 . 1 1 817 817 GLY C C 817 174.271 174.271 174.528 -0.257 19955 4865 1 7 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.544 0.117 19955 4866 1 7 . 1 1 817 817 GLY H H 817 8.870 8.870 8.863 0.007 19955 4867 1 7 . 1 1 818 818 ASP N N 818 123.102 123.102 122.138 0.964 19955 4868 1 7 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.680 -0.351 19955 4869 1 7 . 1 1 818 818 ASP C C 818 175.076 175.076 175.799 -0.723 19955 4870 1 7 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.272 1.323 19955 4871 1 7 . 1 1 818 818 ASP CB C 818 41.538 41.538 42.047 -0.509 19955 4872 1 7 . 1 1 818 818 ASP H H 818 8.468 8.468 8.036 0.432 19955 4873 1 7 . 1 1 819 819 ILE N N 819 121.053 121.053 123.511 -2.458 19955 4874 1 7 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.744 0.076 19955 4875 1 7 . 1 1 819 819 ILE C C 819 175.630 175.630 175.863 -0.233 19955 4876 1 7 . 1 1 819 819 ILE CA C 819 58.602 58.602 59.110 -0.508 19955 4877 1 7 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.411 -0.870 19955 4878 1 7 . 1 1 819 819 ILE H H 819 8.286 8.286 8.148 0.138 19955 4879 1 7 . 1 1 820 820 VAL N N 820 124.554 124.554 121.301 3.253 19955 4880 1 7 . 1 1 820 820 VAL HA H 820 4.679 4.679 4.978 -0.299 19955 4881 1 7 . 1 1 820 820 VAL C C 820 172.751 172.751 173.737 -0.986 19955 4882 1 7 . 1 1 820 820 VAL CA C 820 57.861 57.861 59.123 -1.262 19955 4883 1 7 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.321 -0.949 19955 4884 1 7 . 1 1 820 820 VAL H H 820 8.717 8.717 8.753 -0.036 19955 4885 1 7 . 1 1 821 821 TYR N N 821 120.296 120.296 121.050 -0.754 19955 4886 1 7 . 1 1 821 821 TYR HA H 821 4.803 4.803 5.212 -0.409 19955 4887 1 7 . 1 1 821 821 TYR C C 821 175.760 175.760 176.449 -0.689 19955 4888 1 7 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.495 0.343 19955 4889 1 7 . 1 1 821 821 TYR CB C 821 40.132 40.132 40.279 -0.147 19955 4890 1 7 . 1 1 821 821 TYR H H 821 8.360 8.360 8.397 -0.037 19955 4891 1 7 . 1 1 822 822 ILE N N 822 123.440 123.440 124.674 -1.234 19955 4892 1 7 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.482 -0.617 19955 4893 1 7 . 1 1 822 822 ILE C C 822 176.541 176.541 175.879 0.662 19955 4894 1 7 . 1 1 822 822 ILE CA C 822 62.327 62.327 62.191 0.136 19955 4895 1 7 . 1 1 822 822 ILE CB C 822 39.429 39.429 38.438 0.991 19955 4896 1 7 . 1 1 822 822 ILE H H 822 8.991 8.991 8.657 0.334 19955 4897 1 7 . 1 1 823 823 TYR N N 823 127.197 127.197 125.160 2.037 19955 4898 1 7 . 1 1 823 823 TYR HA H 823 5.068 5.068 5.116 -0.048 19955 4899 1 7 . 1 1 823 823 TYR C C 823 176.327 176.327 174.005 2.322 19955 4900 1 7 . 1 1 823 823 TYR CA C 823 56.331 56.331 56.165 0.166 19955 4901 1 7 . 1 1 823 823 TYR CB C 823 38.285 38.285 41.566 -3.281 19955 4902 1 7 . 1 1 823 823 TYR H H 823 9.699 9.699 8.658 1.041 19955 4903 1 7 . 1 1 824 824 LYS N N 824 113.691 113.691 119.507 -5.816 19955 4904 1 7 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.427 0.237 19955 4905 1 7 . 1 1 824 824 LYS C C 824 174.044 174.044 173.996 0.048 19955 4906 1 7 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.985 -0.684 19955 4907 1 7 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.994 0.110 19955 4908 1 7 . 1 1 824 824 LYS H H 824 7.904 7.904 7.149 0.755 19955 4909 1 7 . 1 1 825 825 GLN N N 825 122.998 122.998 125.392 -2.394 19955 4910 1 7 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.434 0.180 19955 4911 1 7 . 1 1 825 825 GLN C C 825 175.372 175.372 175.131 0.241 19955 4912 1 7 . 1 1 825 825 GLN CA C 825 55.970 55.970 56.083 -0.113 19955 4913 1 7 . 1 1 825 825 GLN CB C 825 29.014 29.014 28.855 0.159 19955 4914 1 7 . 1 1 825 825 GLN H H 825 9.091 9.091 8.720 0.371 19955 4915 1 7 . 1 1 826 826 ILE N N 826 126.911 126.911 127.350 -0.439 19955 4916 1 7 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.123 -0.173 19955 4917 1 7 . 1 1 826 826 ILE C C 826 175.447 175.447 176.607 -1.160 19955 4918 1 7 . 1 1 826 826 ILE CA C 826 62.062 62.062 62.539 -0.477 19955 4919 1 7 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.542 -0.363 19955 4920 1 7 . 1 1 826 826 ILE H H 826 8.356 8.356 8.503 -0.147 19955 4921 1 7 . 1 1 827 827 ASP N N 827 118.575 118.575 116.872 1.703 19955 4922 1 7 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.857 -0.438 19955 4923 1 7 . 1 1 827 827 ASP C C 827 175.673 175.673 176.311 -0.638 19955 4924 1 7 . 1 1 827 827 ASP CA C 827 53.255 53.255 53.401 -0.146 19955 4925 1 7 . 1 1 827 827 ASP CB C 827 40.120 40.120 43.880 -3.760 19955 4926 1 7 . 1 1 827 827 ASP H H 827 7.952 7.952 8.152 -0.200 19955 4927 1 7 . 1 1 828 828 GLN N N 828 113.633 113.633 119.749 -6.116 19955 4928 1 7 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.131 -0.259 19955 4929 1 7 . 1 1 828 828 GLN C C 828 175.745 175.745 176.407 -0.662 19955 4930 1 7 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.650 -0.389 19955 4931 1 7 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.826 -0.328 19955 4932 1 7 . 1 1 828 828 GLN H H 828 8.468 8.468 8.780 -0.312 19955 4933 1 7 . 1 1 829 829 ASN N N 829 114.412 114.412 114.287 0.125 19955 4934 1 7 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.709 0.033 19955 4935 1 7 . 1 1 829 829 ASN C C 829 175.652 175.652 173.938 1.714 19955 4936 1 7 . 1 1 829 829 ASN CA C 829 53.641 53.641 52.284 1.357 19955 4937 1 7 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.176 2.639 19955 4938 1 7 . 1 1 829 829 ASN H H 829 8.799 8.799 7.883 0.916 19955 4939 1 7 . 1 1 830 830 TRP N N 830 121.661 121.661 119.848 1.813 19955 4940 1 7 . 1 1 830 830 TRP HA H 830 4.810 4.810 5.194 -0.384 19955 4941 1 7 . 1 1 830 830 TRP C C 830 175.077 175.077 175.046 0.031 19955 4942 1 7 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.491 0.799 19955 4943 1 7 . 1 1 830 830 TRP CB C 830 32.570 32.570 32.819 -0.249 19955 4944 1 7 . 1 1 830 830 TRP H H 830 8.033 8.033 7.584 0.449 19955 4945 1 7 . 1 1 831 831 TYR N N 831 120.163 120.163 116.851 3.312 19955 4946 1 7 . 1 1 831 831 TYR HA H 831 5.045 5.045 5.054 -0.009 19955 4947 1 7 . 1 1 831 831 TYR C C 831 173.672 173.672 172.652 1.020 19955 4948 1 7 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.100 0.272 19955 4949 1 7 . 1 1 831 831 TYR CB C 831 42.726 42.726 41.490 1.236 19955 4950 1 7 . 1 1 831 831 TYR H H 831 8.721 8.721 8.906 -0.185 19955 4951 1 7 . 1 1 832 832 GLU N N 832 117.935 117.935 120.521 -2.586 19955 4952 1 7 . 1 1 832 832 GLU HA H 832 4.937 4.937 5.122 -0.185 19955 4953 1 7 . 1 1 832 832 GLU C C 832 176.121 176.121 175.133 0.988 19955 4954 1 7 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.279 0.125 19955 4955 1 7 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.917 0.038 19955 4956 1 7 . 1 1 832 832 GLU H H 832 8.696 8.696 8.436 0.260 19955 4957 1 7 . 1 1 833 833 GLY N N 833 115.171 115.171 111.868 3.303 19955 4958 1 7 . 1 1 833 833 GLY C C 833 168.962 168.962 172.041 -3.079 19955 4959 1 7 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.255 1.368 19955 4960 1 7 . 1 1 833 833 GLY H H 833 9.063 9.063 8.386 0.677 19955 4961 1 7 . 1 1 834 834 GLU N N 834 117.849 117.849 120.496 -2.647 19955 4962 1 7 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.660 0.029 19955 4963 1 7 . 1 1 834 834 GLU C C 834 175.077 175.077 175.260 -0.183 19955 4964 1 7 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.558 -0.592 19955 4965 1 7 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.422 1.622 19955 4966 1 7 . 1 1 834 834 GLU H H 834 8.708 8.708 8.825 -0.117 19955 4967 1 7 . 1 1 835 835 HIS N N 835 120.973 120.973 123.863 -2.890 19955 4968 1 7 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.237 -0.403 19955 4969 1 7 . 1 1 835 835 HIS C C 835 174.509 174.509 174.900 -0.391 19955 4970 1 7 . 1 1 835 835 HIS CA C 835 56.249 56.249 55.363 0.886 19955 4971 1 7 . 1 1 835 835 HIS CB C 835 33.211 33.211 33.055 0.156 19955 4972 1 7 . 1 1 835 835 HIS H H 835 8.799 8.799 9.555 -0.756 19955 4973 1 7 . 1 1 836 836 HIS N N 836 125.728 125.728 125.670 0.058 19955 4974 1 7 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.068 0.098 19955 4975 1 7 . 1 1 836 836 HIS C C 836 175.012 175.012 174.396 0.616 19955 4976 1 7 . 1 1 836 836 HIS CA C 836 55.689 55.689 56.955 -1.266 19955 4977 1 7 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.828 -0.834 19955 4978 1 7 . 1 1 836 836 HIS H H 836 9.163 9.163 9.212 -0.049 19955 4979 1 7 . 1 1 837 837 GLY N N 837 104.909 104.909 102.574 2.335 19955 4980 1 7 . 1 1 837 837 GLY C C 837 173.235 173.235 174.254 -1.019 19955 4981 1 7 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.150 0.504 19955 4982 1 7 . 1 1 837 837 GLY H H 837 9.070 9.070 8.464 0.606 19955 4983 1 7 . 1 1 838 838 ARG N N 838 122.925 122.925 118.124 4.801 19955 4984 1 7 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.672 -0.079 19955 4985 1 7 . 1 1 838 838 ARG C C 838 173.682 173.682 174.136 -0.454 19955 4986 1 7 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.157 0.724 19955 4987 1 7 . 1 1 838 838 ARG CB C 838 32.058 32.058 34.230 -2.172 19955 4988 1 7 . 1 1 838 838 ARG H H 838 7.814 7.814 8.204 -0.390 19955 4989 1 7 . 1 1 839 839 VAL N N 839 123.572 123.572 119.898 3.674 19955 4990 1 7 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.424 -0.290 19955 4991 1 7 . 1 1 839 839 VAL C C 839 177.296 177.296 175.686 1.610 19955 4992 1 7 . 1 1 839 839 VAL CA C 839 60.200 60.200 60.654 -0.454 19955 4993 1 7 . 1 1 839 839 VAL CB C 839 33.994 33.994 33.864 0.131 19955 4994 1 7 . 1 1 839 839 VAL H H 839 8.360 8.360 8.496 -0.136 19955 4995 1 7 . 1 1 840 840 GLY N N 840 114.006 114.006 113.879 0.127 19955 4996 1 7 . 1 1 840 840 GLY C C 840 171.246 171.246 171.536 -0.290 19955 4997 1 7 . 1 1 840 840 GLY CA C 840 45.896 45.896 44.327 1.569 19955 4998 1 7 . 1 1 840 840 GLY H H 840 8.951 8.951 8.226 0.725 19955 4999 1 7 . 1 1 841 841 ILE N N 841 112.496 112.496 115.077 -2.581 19955 5000 1 7 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.789 1.092 19955 5001 1 7 . 1 1 841 841 ILE C C 841 176.120 176.120 172.966 3.154 19955 5002 1 7 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.457 0.910 19955 5003 1 7 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.321 -0.404 19955 5004 1 7 . 1 1 841 841 ILE H H 841 8.434 8.434 7.158 1.276 19955 5005 1 7 . 1 1 842 842 PHE N N 842 116.289 116.289 118.218 -1.929 19955 5006 1 7 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.854 0.117 19955 5007 1 7 . 1 1 842 842 PHE C C 842 171.777 171.777 172.458 -0.681 19955 5008 1 7 . 1 1 842 842 PHE CA C 842 54.265 54.265 54.974 -0.709 19955 5009 1 7 . 1 1 842 842 PHE CB C 842 37.515 37.515 40.023 -2.508 19955 5010 1 7 . 1 1 842 842 PHE H H 842 8.408 8.408 8.126 0.282 19955 5011 1 7 . 1 1 843 843 PRO HA H 843 3.934 3.934 5.184 -1.250 19955 5012 1 7 . 1 1 843 843 PRO C C 843 178.228 178.228 177.840 0.388 19955 5013 1 7 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.160 -0.547 19955 5014 1 7 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.974 -0.579 19955 5015 1 7 . 1 1 844 844 ARG N N 844 122.291 122.291 127.297 -5.006 19955 5016 1 7 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.056 -0.112 19955 5017 1 7 . 1 1 844 844 ARG C C 844 178.171 178.171 177.712 0.459 19955 5018 1 7 . 1 1 844 844 ARG CA C 844 58.618 58.618 60.202 -1.584 19955 5019 1 7 . 1 1 844 844 ARG CB C 844 30.297 30.297 30.432 -0.135 19955 5020 1 7 . 1 1 844 844 ARG H H 844 7.906 7.906 8.452 -0.546 19955 5021 1 7 . 1 1 845 845 THR N N 845 105.068 105.068 110.766 -5.698 19955 5022 1 7 . 1 1 845 845 THR HA H 845 4.159 4.159 4.163 -0.004 19955 5023 1 7 . 1 1 845 845 THR C C 845 175.363 175.363 175.211 0.152 19955 5024 1 7 . 1 1 845 845 THR CA C 845 63.035 63.035 64.625 -1.590 19955 5025 1 7 . 1 1 845 845 THR CB C 845 69.022 69.022 68.465 0.557 19955 5026 1 7 . 1 1 845 845 THR H H 845 7.907 7.907 8.397 -0.490 19955 5027 1 7 . 1 1 846 846 TYR N N 846 118.977 118.977 119.659 -0.682 19955 5028 1 7 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.674 -0.139 19955 5029 1 7 . 1 1 846 846 TYR C C 846 174.917 174.917 174.596 0.321 19955 5030 1 7 . 1 1 846 846 TYR CA C 846 58.751 58.751 59.349 -0.598 19955 5031 1 7 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.911 -1.856 19955 5032 1 7 . 1 1 846 846 TYR H H 846 7.611 7.611 8.035 -0.424 19955 5033 1 7 . 1 1 847 847 ILE N N 847 113.230 113.230 112.927 0.303 19955 5034 1 7 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.151 -0.052 19955 5035 1 7 . 1 1 847 847 ILE C C 847 174.141 174.141 174.882 -0.741 19955 5036 1 7 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.311 -0.857 19955 5037 1 7 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.130 0.061 19955 5038 1 7 . 1 1 847 847 ILE H H 847 7.390 7.390 7.404 -0.014 19955 5039 1 7 . 1 1 848 848 GLU N N 848 121.909 121.909 118.081 3.828 19955 5040 1 7 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.575 -0.027 19955 5041 1 7 . 1 1 848 848 GLU C C 848 175.193 175.193 175.166 0.027 19955 5042 1 7 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.711 -1.047 19955 5043 1 7 . 1 1 848 848 GLU CB C 848 32.624 32.624 33.167 -0.543 19955 5044 1 7 . 1 1 848 848 GLU H H 848 8.786 8.786 8.552 0.234 19955 5045 1 7 . 1 1 849 849 LEU N N 849 126.431 126.431 124.041 2.390 19955 5046 1 7 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.404 -0.313 19955 5047 1 7 . 1 1 849 849 LEU C C 849 177.019 177.019 175.969 1.050 19955 5048 1 7 . 1 1 849 849 LEU CA C 849 55.667 55.667 53.841 1.826 19955 5049 1 7 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.741 -1.199 19955 5050 1 7 . 1 1 849 849 LEU H H 849 8.730 8.730 8.364 0.366 19955 5051 1 7 . 1 1 850 850 LEU N N 850 123.942 123.942 126.298 -2.356 19955 5052 1 7 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.054 0.508 19955 5053 1 7 . 1 1 850 850 LEU C C 850 174.453 174.453 174.110 0.343 19955 5054 1 7 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.646 -1.841 19955 5055 1 7 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.057 -0.094 19955 5056 1 7 . 1 1 850 850 LEU H H 850 7.846 7.846 8.355 -0.509 19955 5057 1 7 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.300 0.029 19955 5058 1 7 . 1 1 852 852 PRO C C 852 176.580 176.580 175.762 0.818 19955 5059 1 7 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.158 -0.255 19955 5060 1 7 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.110 -0.345 19955 5061 1 7 . 1 1 853 853 ALA N N 853 124.102 124.102 124.177 -0.075 19955 5062 1 7 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.517 -0.277 19955 5063 1 7 . 1 1 853 853 ALA C C 853 177.767 177.767 177.393 0.374 19955 5064 1 7 . 1 1 853 853 ALA CA C 853 52.258 52.258 51.536 0.722 19955 5065 1 7 . 1 1 853 853 ALA CB C 853 19.516 19.516 20.675 -1.159 19955 5066 1 7 . 1 1 853 853 ALA H H 853 8.354 8.354 8.337 0.017 19955 5067 1 7 . 1 1 854 854 GLU N N 854 120.540 120.540 120.142 0.398 19955 5068 1 7 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.151 0.052 19955 5069 1 7 . 1 1 854 854 GLU C C 854 176.402 176.402 175.899 0.503 19955 5070 1 7 . 1 1 854 854 GLU CA C 854 56.380 56.380 58.304 -1.924 19955 5071 1 7 . 1 1 854 854 GLU CB C 854 30.432 30.432 29.414 1.018 19955 5072 1 7 . 1 1 854 854 GLU H H 854 8.348 8.348 8.852 -0.504 19955 5073 1 7 . 1 1 855 855 LYS N N 855 122.717 122.717 113.834 8.883 19955 5074 1 7 . 1 1 855 855 LYS HA H 855 4.215 4.215 3.946 0.269 19955 5075 1 7 . 1 1 855 855 LYS C C 855 176.078 176.078 175.525 0.553 19955 5076 1 7 . 1 1 855 855 LYS CA C 855 56.018 56.018 56.763 -0.745 19955 5077 1 7 . 1 1 855 855 LYS CB C 855 33.187 33.187 30.162 3.025 19955 5078 1 7 . 1 1 855 855 LYS H H 855 8.305 8.305 8.295 0.010 19955 5079 1 7 . 1 1 856 856 ALA N N 856 125.584 125.584 121.093 4.491 19955 5080 1 7 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.331 -0.090 19955 5081 1 7 . 1 1 856 856 ALA C C 856 177.276 177.276 176.955 0.321 19955 5082 1 7 . 1 1 856 856 ALA CA C 856 52.046 52.046 52.926 -0.880 19955 5083 1 7 . 1 1 856 856 ALA CB C 856 19.294 19.294 19.392 -0.098 19955 5084 1 7 . 1 1 856 856 ALA H H 856 8.219 8.219 8.433 -0.214 19955 5085 1 7 . 1 1 857 857 GLN N N 857 121.223 121.223 118.546 2.677 19955 5086 1 7 . 1 1 857 857 GLN C C 857 173.964 173.964 173.500 0.464 19955 5087 1 7 . 1 1 857 857 GLN CA C 857 53.490 53.490 52.703 0.787 19955 5088 1 7 . 1 1 857 857 GLN CB C 857 29.040 29.040 27.894 1.146 19955 5089 1 7 . 1 1 857 857 GLN H H 857 8.333 8.333 7.901 0.432 19955 5090 1 7 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.504 -0.166 19955 5091 1 7 . 1 1 858 858 PRO C C 858 176.696 176.696 176.536 0.160 19955 5092 1 7 . 1 1 858 858 PRO CA C 858 62.910 62.910 62.544 0.367 19955 5093 1 7 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.936 -0.861 19955 5094 1 7 . 1 1 859 859 LYS N N 859 121.891 121.891 118.618 3.273 19955 5095 1 7 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.027 0.163 19955 5096 1 7 . 1 1 859 859 LYS C C 859 176.382 176.382 176.638 -0.256 19955 5097 1 7 . 1 1 859 859 LYS CA C 859 56.130 56.130 57.531 -1.401 19955 5098 1 7 . 1 1 859 859 LYS CB C 859 33.070 33.070 32.488 0.582 19955 5099 1 7 . 1 1 859 859 LYS H H 859 8.355 8.355 8.425 -0.070 19955 5100 1 7 . 1 1 860 860 LYS N N 860 123.002 123.002 118.907 4.095 19955 5101 1 7 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.371 -0.126 19955 5102 1 7 . 1 1 860 860 LYS C C 860 176.131 176.131 175.065 1.066 19955 5103 1 7 . 1 1 860 860 LYS CA C 860 55.852 55.852 54.989 0.863 19955 5104 1 7 . 1 1 860 860 LYS CB C 860 33.148 33.148 33.556 -0.408 19955 5105 1 7 . 1 1 860 860 LYS H H 860 8.267 8.267 7.483 0.784 19955 5106 1 7 . 1 1 861 861 LEU N N 861 124.576 124.576 126.522 -1.946 19955 5107 1 7 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.416 -0.060 19955 5108 1 7 . 1 1 861 861 LEU C C 861 177.069 177.069 176.813 0.256 19955 5109 1 7 . 1 1 861 861 LEU CA C 861 54.795 54.795 55.963 -1.168 19955 5110 1 7 . 1 1 861 861 LEU CB C 861 42.350 42.350 42.698 -0.348 19955 5111 1 7 . 1 1 861 861 LEU H H 861 8.316 8.316 8.477 -0.161 19955 5112 1 7 . 1 1 862 862 THR N N 862 117.878 117.878 118.168 -0.290 19955 5113 1 7 . 1 1 862 862 THR HA H 862 4.729 4.729 4.634 0.095 19955 5114 1 7 . 1 1 862 862 THR C C 862 172.639 172.639 172.596 0.043 19955 5115 1 7 . 1 1 862 862 THR CA C 862 59.644 59.644 59.049 0.595 19955 5116 1 7 . 1 1 862 862 THR CB C 862 69.476 69.476 68.600 0.876 19955 5117 1 7 . 1 1 862 862 THR H H 862 8.162 8.162 8.186 -0.024 19955 5118 1 7 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.416 -0.048 19955 5119 1 7 . 1 1 863 863 PRO C C 863 176.753 176.753 176.515 0.238 19955 5120 1 7 . 1 1 863 863 PRO CA C 863 63.192 63.192 63.101 0.091 19955 5121 1 7 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.339 -0.281 19955 5122 1 7 . 1 1 864 864 VAL N N 864 120.359 120.359 119.746 0.613 19955 5123 1 7 . 1 1 864 864 VAL HA H 864 3.985 3.985 3.684 0.301 19955 5124 1 7 . 1 1 864 864 VAL C C 864 175.964 175.964 176.041 -0.077 19955 5125 1 7 . 1 1 864 864 VAL CA C 864 62.342 62.342 63.689 -1.347 19955 5126 1 7 . 1 1 864 864 VAL CB C 864 32.521 32.521 31.226 1.295 19955 5127 1 7 . 1 1 864 864 VAL H H 864 8.102 8.102 8.030 0.073 19955 5128 1 7 . 1 1 865 865 GLN N N 865 124.642 124.642 118.738 5.904 19955 5129 1 7 . 1 1 865 865 GLN HA H 865 4.286 4.286 3.992 0.294 19955 5130 1 7 . 1 1 865 865 GLN C C 865 175.443 175.443 175.230 0.213 19955 5131 1 7 . 1 1 865 865 GLN CA C 865 55.595 55.595 56.814 -1.219 19955 5132 1 7 . 1 1 865 865 GLN CB C 865 29.739 29.739 28.302 1.437 19955 5133 1 7 . 1 1 865 865 GLN H H 865 8.333 8.333 8.398 -0.065 19955 5134 1 7 . 1 1 866 866 VAL N N 866 123.436 123.436 118.085 5.351 19955 5135 1 7 . 1 1 866 866 VAL HA H 866 3.969 3.969 3.785 0.184 19955 5136 1 7 . 1 1 866 866 VAL C C 866 175.685 175.685 175.236 0.449 19955 5137 1 7 . 1 1 866 866 VAL CA C 866 62.398 62.398 62.970 -0.572 19955 5138 1 7 . 1 1 866 866 VAL CB C 866 32.832 32.832 31.443 1.389 19955 5139 1 7 . 1 1 866 866 VAL H H 866 8.189 8.189 8.313 -0.124 19955 5140 1 7 . 1 1 867 867 LEU N N 867 127.515 127.515 125.446 2.069 19955 5141 1 7 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.577 -0.315 19955 5142 1 7 . 1 1 867 867 LEU C C 867 177.037 177.037 176.788 0.249 19955 5143 1 7 . 1 1 867 867 LEU CA C 867 55.688 55.688 54.214 1.474 19955 5144 1 7 . 1 1 867 867 LEU CB C 867 42.552 42.552 42.896 -0.344 19955 5145 1 7 . 1 1 867 867 LEU H H 867 8.679 8.679 7.969 0.710 19955 5146 1 7 . 1 1 868 868 GLU N N 868 120.794 120.794 121.490 -0.696 19955 5147 1 7 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.401 -0.182 19955 5148 1 7 . 1 1 868 868 GLU C C 868 175.353 175.353 175.676 -0.323 19955 5149 1 7 . 1 1 868 868 GLU CA C 868 55.753 55.753 54.816 0.938 19955 5150 1 7 . 1 1 868 868 GLU CB C 868 31.419 31.419 30.865 0.554 19955 5151 1 7 . 1 1 868 868 GLU H H 868 8.272 8.272 8.379 -0.107 19955 5152 1 7 . 1 1 869 869 TYR N N 869 121.165 121.165 119.046 2.119 19955 5153 1 7 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.368 0.332 19955 5154 1 7 . 1 1 869 869 TYR C C 869 176.824 176.824 177.026 -0.202 19955 5155 1 7 . 1 1 869 869 TYR CA C 869 56.809 56.809 59.084 -2.275 19955 5156 1 7 . 1 1 869 869 TYR CB C 869 38.650 38.650 38.904 -0.254 19955 5157 1 7 . 1 1 869 869 TYR H H 869 8.003 8.003 8.314 -0.311 19955 5158 1 7 . 1 1 870 870 GLY N N 870 104.958 104.958 108.964 -4.006 19955 5159 1 7 . 1 1 870 870 GLY C C 870 173.846 173.846 173.255 0.591 19955 5160 1 7 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.631 -0.412 19955 5161 1 7 . 1 1 870 870 GLY H H 870 8.590 8.590 8.624 -0.034 19955 5162 1 7 . 1 1 871 871 GLU N N 871 122.341 122.341 118.388 3.953 19955 5163 1 7 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.297 -0.075 19955 5164 1 7 . 1 1 871 871 GLU C C 871 173.827 173.827 174.553 -0.726 19955 5165 1 7 . 1 1 871 871 GLU CA C 871 55.859 55.859 55.197 0.662 19955 5166 1 7 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.472 0.462 19955 5167 1 7 . 1 1 871 871 GLU H H 871 9.246 9.246 8.215 1.031 19955 5168 1 7 . 1 1 872 872 ALA N N 872 126.709 126.709 123.198 3.511 19955 5169 1 7 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.295 -0.191 19955 5170 1 7 . 1 1 872 872 ALA C C 872 174.022 174.022 174.772 -0.750 19955 5171 1 7 . 1 1 872 872 ALA CA C 872 50.135 50.135 50.783 -0.648 19955 5172 1 7 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.884 1.613 19955 5173 1 7 . 1 1 872 872 ALA H H 872 9.266 9.266 9.056 0.210 19955 5174 1 7 . 1 1 873 873 ILE N N 873 118.554 118.554 120.528 -1.974 19955 5175 1 7 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.866 -0.252 19955 5176 1 7 . 1 1 873 873 ILE C C 873 176.132 176.132 175.554 0.578 19955 5177 1 7 . 1 1 873 873 ILE CA C 873 58.788 58.788 57.549 1.239 19955 5178 1 7 . 1 1 873 873 ILE CB C 873 40.630 40.630 40.288 0.342 19955 5179 1 7 . 1 1 873 873 ILE H H 873 8.522 8.522 8.668 -0.146 19955 5180 1 7 . 1 1 874 874 ALA N N 874 129.739 129.739 131.531 -1.792 19955 5181 1 7 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.102 -0.065 19955 5182 1 7 . 1 1 874 874 ALA C C 874 178.259 178.259 177.546 0.713 19955 5183 1 7 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.398 0.939 19955 5184 1 7 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.203 2.075 19955 5185 1 7 . 1 1 874 874 ALA H H 874 8.608 8.608 8.179 0.429 19955 5186 1 7 . 1 1 875 875 LYS N N 875 127.308 127.308 124.091 3.217 19955 5187 1 7 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.907 0.117 19955 5188 1 7 . 1 1 875 875 LYS C C 875 174.098 174.098 176.370 -2.272 19955 5189 1 7 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.776 -1.677 19955 5190 1 7 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.836 1.148 19955 5191 1 7 . 1 1 875 875 LYS H H 875 9.298 9.298 8.479 0.819 19955 5192 1 7 . 1 1 876 876 PHE N N 876 113.423 113.423 115.982 -2.559 19955 5193 1 7 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.565 0.346 19955 5194 1 7 . 1 1 876 876 PHE C C 876 174.050 174.050 174.992 -0.942 19955 5195 1 7 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.429 -2.584 19955 5196 1 7 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.789 1.953 19955 5197 1 7 . 1 1 876 876 PHE H H 876 7.328 7.328 7.442 -0.114 19955 5198 1 7 . 1 1 877 877 ASN N N 877 116.437 116.437 119.613 -3.176 19955 5199 1 7 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.760 0.029 19955 5200 1 7 . 1 1 877 877 ASN C C 877 174.454 174.454 174.113 0.341 19955 5201 1 7 . 1 1 877 877 ASN CA C 877 53.535 53.535 53.742 -0.207 19955 5202 1 7 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.853 -0.646 19955 5203 1 7 . 1 1 877 877 ASN H H 877 8.666 8.666 8.607 0.059 19955 5204 1 7 . 1 1 878 878 PHE N N 878 123.179 123.179 121.883 1.296 19955 5205 1 7 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.507 0.158 19955 5206 1 7 . 1 1 878 878 PHE C C 878 173.027 173.027 173.244 -0.217 19955 5207 1 7 . 1 1 878 878 PHE CA C 878 56.104 56.104 57.494 -1.390 19955 5208 1 7 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.304 -0.219 19955 5209 1 7 . 1 1 878 878 PHE H H 878 8.433 8.433 8.644 -0.211 19955 5210 1 7 . 1 1 879 879 ASN N N 879 127.113 127.113 124.006 3.107 19955 5211 1 7 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.686 -0.124 19955 5212 1 7 . 1 1 879 879 ASN C C 879 173.174 173.174 174.145 -0.971 19955 5213 1 7 . 1 1 879 879 ASN CA C 879 50.930 50.930 52.218 -1.288 19955 5214 1 7 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.328 0.059 19955 5215 1 7 . 1 1 879 879 ASN H H 879 8.000 8.000 7.723 0.277 19955 5216 1 7 . 1 1 880 880 GLY N N 880 110.949 110.949 110.226 0.723 19955 5217 1 7 . 1 1 880 880 GLY C C 880 173.383 173.383 174.191 -0.808 19955 5218 1 7 . 1 1 880 880 GLY CA C 880 45.658 45.658 45.261 0.397 19955 5219 1 7 . 1 1 880 880 GLY H H 880 7.997 7.997 8.248 -0.251 19955 5220 1 7 . 1 1 881 881 ASP N N 881 122.408 122.408 118.156 4.252 19955 5221 1 7 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.666 -0.033 19955 5222 1 7 . 1 1 881 881 ASP C C 881 176.286 176.286 175.814 0.472 19955 5223 1 7 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.138 1.058 19955 5224 1 7 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.550 1.590 19955 5225 1 7 . 1 1 881 881 ASP H H 881 8.796 8.796 8.419 0.377 19955 5226 1 7 . 1 1 882 882 THR N N 882 108.354 108.354 111.317 -2.963 19955 5227 1 7 . 1 1 882 882 THR HA H 882 4.583 4.583 4.579 0.004 19955 5228 1 7 . 1 1 882 882 THR C C 882 175.948 175.948 174.851 1.097 19955 5229 1 7 . 1 1 882 882 THR CA C 882 60.352 60.352 60.280 0.072 19955 5230 1 7 . 1 1 882 882 THR CB C 882 71.649 71.649 70.621 1.028 19955 5231 1 7 . 1 1 882 882 THR H H 882 7.541 7.541 7.447 0.094 19955 5232 1 7 . 1 1 883 883 GLN N N 883 118.622 118.622 118.965 -0.343 19955 5233 1 7 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.252 -0.100 19955 5234 1 7 . 1 1 883 883 GLN C C 883 176.478 176.478 177.400 -0.922 19955 5235 1 7 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.318 -0.122 19955 5236 1 7 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.797 -0.128 19955 5237 1 7 . 1 1 883 883 GLN H H 883 8.710 8.710 8.717 -0.007 19955 5238 1 7 . 1 1 884 884 VAL N N 884 111.473 111.473 111.548 -0.075 19955 5239 1 7 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.926 0.281 19955 5240 1 7 . 1 1 884 884 VAL C C 884 176.430 176.430 176.298 0.132 19955 5241 1 7 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.865 -1.572 19955 5242 1 7 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.207 0.717 19955 5243 1 7 . 1 1 884 884 VAL H H 884 7.260 7.260 7.965 -0.705 19955 5244 1 7 . 1 1 885 885 GLU N N 885 121.794 121.794 119.073 2.721 19955 5245 1 7 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.847 0.061 19955 5246 1 7 . 1 1 885 885 GLU C C 885 175.369 175.369 175.935 -0.566 19955 5247 1 7 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.639 -0.329 19955 5248 1 7 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.314 1.475 19955 5249 1 7 . 1 1 885 885 GLU H H 885 7.455 7.455 7.558 -0.103 19955 5250 1 7 . 1 1 886 886 MET N N 886 125.473 125.473 123.786 1.687 19955 5251 1 7 . 1 1 886 886 MET HA H 886 4.534 4.534 4.846 -0.312 19955 5252 1 7 . 1 1 886 886 MET C C 886 172.841 172.841 175.245 -2.404 19955 5253 1 7 . 1 1 886 886 MET CA C 886 54.129 54.129 55.028 -0.899 19955 5254 1 7 . 1 1 886 886 MET CB C 886 35.157 35.157 34.842 0.315 19955 5255 1 7 . 1 1 886 886 MET H H 886 8.996 8.996 8.114 0.882 19955 5256 1 7 . 1 1 887 887 SER N N 887 118.425 118.425 120.091 -1.666 19955 5257 1 7 . 1 1 887 887 SER HA H 887 4.402 4.402 4.778 -0.376 19955 5258 1 7 . 1 1 887 887 SER C C 887 174.667 174.667 173.877 0.790 19955 5259 1 7 . 1 1 887 887 SER CA C 887 58.612 58.612 58.176 0.436 19955 5260 1 7 . 1 1 887 887 SER CB C 887 64.186 64.186 63.623 0.563 19955 5261 1 7 . 1 1 887 887 SER H H 887 7.888 7.888 8.598 -0.710 19955 5262 1 7 . 1 1 888 888 PHE N N 888 116.363 116.363 120.341 -3.978 19955 5263 1 7 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.920 -0.406 19955 5264 1 7 . 1 1 888 888 PHE C C 888 174.756 174.756 173.370 1.386 19955 5265 1 7 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.676 -0.140 19955 5266 1 7 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.943 -1.141 19955 5267 1 7 . 1 1 888 888 PHE H H 888 8.780 8.780 8.349 0.431 19955 5268 1 7 . 1 1 889 889 ARG N N 889 121.944 121.944 118.889 3.055 19955 5269 1 7 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.663 0.309 19955 5270 1 7 . 1 1 889 889 ARG C C 889 175.318 175.318 175.576 -0.258 19955 5271 1 7 . 1 1 889 889 ARG CA C 889 53.298 53.298 53.965 -0.667 19955 5272 1 7 . 1 1 889 889 ARG CB C 889 32.886 32.886 33.358 -0.472 19955 5273 1 7 . 1 1 889 889 ARG H H 889 10.187 10.187 8.803 1.384 19955 5274 1 7 . 1 1 890 890 LYS N N 890 119.991 119.991 121.083 -1.092 19955 5275 1 7 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.929 -0.681 19955 5276 1 7 . 1 1 890 890 LYS C C 890 176.504 176.504 177.896 -1.392 19955 5277 1 7 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.526 -0.130 19955 5278 1 7 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.322 0.507 19955 5279 1 7 . 1 1 890 890 LYS H H 890 8.360 8.360 8.401 -0.041 19955 5280 1 7 . 1 1 891 891 GLY N N 891 113.950 113.950 114.919 -0.969 19955 5281 1 7 . 1 1 891 891 GLY C C 891 174.298 174.298 174.331 -0.033 19955 5282 1 7 . 1 1 891 891 GLY CA C 891 44.668 44.668 45.014 -0.346 19955 5283 1 7 . 1 1 891 891 GLY H H 891 8.673 8.673 8.643 0.030 19955 5284 1 7 . 1 1 892 892 GLU N N 892 119.511 119.511 121.313 -1.802 19955 5285 1 7 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.430 -0.314 19955 5286 1 7 . 1 1 892 892 GLU C C 892 174.618 174.618 176.081 -1.463 19955 5287 1 7 . 1 1 892 892 GLU CA C 892 59.515 59.515 55.642 3.873 19955 5288 1 7 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.714 -0.133 19955 5289 1 7 . 1 1 892 892 GLU H H 892 7.856 7.856 7.967 -0.111 19955 5290 1 7 . 1 1 893 893 ARG N N 893 122.979 122.979 120.995 1.984 19955 5291 1 7 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.749 -0.152 19955 5292 1 7 . 1 1 893 893 ARG C C 893 174.836 174.836 175.999 -1.163 19955 5293 1 7 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.222 -0.694 19955 5294 1 7 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.395 -0.355 19955 5295 1 7 . 1 1 893 893 ARG H H 893 8.120 8.120 8.579 -0.459 19955 5296 1 7 . 1 1 894 894 ILE N N 894 122.659 122.659 123.330 -0.671 19955 5297 1 7 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.303 -0.240 19955 5298 1 7 . 1 1 894 894 ILE C C 894 175.789 175.789 174.476 1.313 19955 5299 1 7 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.062 0.204 19955 5300 1 7 . 1 1 894 894 ILE CB C 894 43.427 43.427 41.879 1.548 19955 5301 1 7 . 1 1 894 894 ILE H H 894 8.586 8.586 8.982 -0.396 19955 5302 1 7 . 1 1 895 895 THR N N 895 124.709 124.709 122.507 2.202 19955 5303 1 7 . 1 1 895 895 THR HA H 895 4.441 4.441 4.876 -0.435 19955 5304 1 7 . 1 1 895 895 THR C C 895 174.124 174.124 174.200 -0.076 19955 5305 1 7 . 1 1 895 895 THR CA C 895 62.837 62.837 61.227 1.610 19955 5306 1 7 . 1 1 895 895 THR CB C 895 69.246 69.246 69.517 -0.271 19955 5307 1 7 . 1 1 895 895 THR H H 895 9.078 9.078 8.599 0.479 19955 5308 1 7 . 1 1 896 896 LEU N N 896 122.648 122.648 127.906 -5.258 19955 5309 1 7 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.247 0.142 19955 5310 1 7 . 1 1 896 896 LEU C C 896 174.836 174.836 176.414 -1.578 19955 5311 1 7 . 1 1 896 896 LEU H H 896 8.583 8.583 8.100 0.483 19955 5312 1 7 . 1 1 897 897 LEU N N 897 124.502 124.502 125.484 -0.982 19955 5313 1 7 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.566 -0.234 19955 5314 1 7 . 1 1 897 897 LEU C C 897 176.645 176.645 177.156 -0.511 19955 5315 1 7 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.450 0.776 19955 5316 1 7 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.446 -1.115 19955 5317 1 7 . 1 1 897 897 LEU H H 897 8.984 8.984 8.800 0.184 19955 5318 1 7 . 1 1 898 898 ARG N N 898 108.422 108.422 117.863 -9.441 19955 5319 1 7 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.540 -0.098 19955 5320 1 7 . 1 1 898 898 ARG C C 898 173.645 173.645 174.074 -0.429 19955 5321 1 7 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.580 -0.339 19955 5322 1 7 . 1 1 898 898 ARG CB C 898 31.609 31.609 32.456 -0.847 19955 5323 1 7 . 1 1 898 898 ARG H H 898 7.413 7.413 7.556 -0.143 19955 5324 1 7 . 1 1 899 899 GLN N N 899 124.503 124.503 125.214 -0.711 19955 5325 1 7 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.202 -0.010 19955 5326 1 7 . 1 1 899 899 GLN C C 899 175.142 175.142 175.388 -0.246 19955 5327 1 7 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.606 0.690 19955 5328 1 7 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.139 -0.650 19955 5329 1 7 . 1 1 899 899 GLN H H 899 9.301 9.301 8.645 0.656 19955 5330 1 7 . 1 1 900 900 VAL N N 900 129.109 129.109 126.654 2.455 19955 5331 1 7 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.818 -0.152 19955 5332 1 7 . 1 1 900 900 VAL C C 900 175.298 175.298 176.364 -1.066 19955 5333 1 7 . 1 1 900 900 VAL CA C 900 64.773 64.773 64.578 0.195 19955 5334 1 7 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.307 0.514 19955 5335 1 7 . 1 1 900 900 VAL H H 900 8.475 8.475 8.275 0.200 19955 5336 1 7 . 1 1 901 901 ASP N N 901 118.573 118.573 115.417 3.156 19955 5337 1 7 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.810 -0.414 19955 5338 1 7 . 1 1 901 901 ASP C C 901 175.386 175.386 175.930 -0.544 19955 5339 1 7 . 1 1 901 901 ASP CA C 901 53.300 53.300 53.169 0.131 19955 5340 1 7 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.328 -2.165 19955 5341 1 7 . 1 1 901 901 ASP H H 901 8.038 8.038 7.652 0.386 19955 5342 1 7 . 1 1 902 902 GLU N N 902 114.492 114.492 118.385 -3.893 19955 5343 1 7 . 1 1 902 902 GLU HA H 902 3.832 3.832 3.964 -0.132 19955 5344 1 7 . 1 1 902 902 GLU C C 902 175.973 175.973 175.833 0.140 19955 5345 1 7 . 1 1 902 902 GLU CA C 902 59.095 59.095 59.010 0.085 19955 5346 1 7 . 1 1 902 902 GLU CB C 902 29.507 29.507 29.671 -0.164 19955 5347 1 7 . 1 1 902 902 GLU H H 902 8.784 8.784 8.750 0.034 19955 5348 1 7 . 1 1 903 903 ASN N N 903 113.835 113.835 115.462 -1.627 19955 5349 1 7 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.859 0.005 19955 5350 1 7 . 1 1 903 903 ASN C C 903 175.238 175.238 173.396 1.842 19955 5351 1 7 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.517 1.283 19955 5352 1 7 . 1 1 903 903 ASN CB C 903 42.210 42.210 38.891 3.319 19955 5353 1 7 . 1 1 903 903 ASN H H 903 8.763 8.763 8.281 0.482 19955 5354 1 7 . 1 1 904 904 TRP N N 904 121.517 121.517 119.321 2.196 19955 5355 1 7 . 1 1 904 904 TRP HA H 904 4.950 4.950 4.950 0.000 19955 5356 1 7 . 1 1 904 904 TRP C C 904 175.223 175.223 174.666 0.557 19955 5357 1 7 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.662 0.517 19955 5358 1 7 . 1 1 904 904 TRP CB C 904 31.286 31.286 33.556 -2.270 19955 5359 1 7 . 1 1 904 904 TRP H H 904 8.141 8.141 7.638 0.503 19955 5360 1 7 . 1 1 905 905 TYR N N 905 121.365 121.365 120.247 1.118 19955 5361 1 7 . 1 1 905 905 TYR HA H 905 4.916 4.916 4.661 0.255 19955 5362 1 7 . 1 1 905 905 TYR C C 905 173.702 173.702 173.136 0.566 19955 5363 1 7 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.842 -0.382 19955 5364 1 7 . 1 1 905 905 TYR CB C 905 43.401 43.401 43.109 0.292 19955 5365 1 7 . 1 1 905 905 TYR H H 905 8.550 8.550 8.414 0.136 19955 5366 1 7 . 1 1 906 906 GLU N N 906 117.356 117.356 123.971 -6.615 19955 5367 1 7 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.908 -0.023 19955 5368 1 7 . 1 1 906 906 GLU C C 906 176.159 176.159 175.103 1.056 19955 5369 1 7 . 1 1 906 906 GLU CA C 906 54.795 54.795 54.482 0.313 19955 5370 1 7 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.026 -0.436 19955 5371 1 7 . 1 1 906 906 GLU H H 906 8.707 8.707 9.080 -0.373 19955 5372 1 7 . 1 1 907 907 GLY N N 907 114.506 114.506 112.293 2.213 19955 5373 1 7 . 1 1 907 907 GLY C C 907 169.408 169.408 171.680 -2.272 19955 5374 1 7 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.378 0.356 19955 5375 1 7 . 1 1 907 907 GLY H H 907 9.334 9.334 8.955 0.379 19955 5376 1 7 . 1 1 908 908 ARG N N 908 114.660 114.660 117.044 -2.384 19955 5377 1 7 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.268 0.109 19955 5378 1 7 . 1 1 908 908 ARG C C 908 173.981 173.981 174.643 -0.662 19955 5379 1 7 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.364 -0.087 19955 5380 1 7 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.041 0.548 19955 5381 1 7 . 1 1 908 908 ARG H H 908 8.694 8.694 8.321 0.373 19955 5382 1 7 . 1 1 909 909 ILE N N 909 124.579 124.579 122.187 2.392 19955 5383 1 7 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.628 0.291 19955 5384 1 7 . 1 1 909 909 ILE C C 909 175.024 175.024 174.790 0.234 19955 5385 1 7 . 1 1 909 909 ILE CA C 909 56.699 56.699 58.742 -2.043 19955 5386 1 7 . 1 1 909 909 ILE CB C 909 35.387 35.387 38.527 -3.140 19955 5387 1 7 . 1 1 909 909 ILE H H 909 7.757 7.757 8.149 -0.392 19955 5388 1 7 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.205 0.424 19955 5389 1 7 . 1 1 910 910 PRO C C 910 176.353 176.353 177.692 -1.339 19955 5390 1 7 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.432 -11.634 19955 5391 1 7 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.933 -1.525 19955 5392 1 7 . 1 1 911 911 GLY N N 911 118.118 118.118 110.218 7.900 19955 5393 1 7 . 1 1 911 911 GLY C C 911 173.987 173.987 174.391 -0.404 19955 5394 1 7 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.248 0.084 19955 5395 1 7 . 1 1 911 911 GLY H H 911 7.869 7.869 8.604 -0.735 19955 5396 1 7 . 1 1 912 912 THR N N 912 109.041 109.041 112.743 -3.702 19955 5397 1 7 . 1 1 912 912 THR HA H 912 4.469 4.469 3.765 0.704 19955 5398 1 7 . 1 1 912 912 THR C C 912 174.144 174.144 174.354 -0.210 19955 5399 1 7 . 1 1 912 912 THR CA C 912 60.194 60.194 62.726 -2.532 19955 5400 1 7 . 1 1 912 912 THR CB C 912 72.812 72.812 67.585 5.227 19955 5401 1 7 . 1 1 912 912 THR H H 912 7.743 7.743 8.167 -0.424 19955 5402 1 7 . 1 1 913 913 SER N N 913 126.292 126.292 115.462 10.830 19955 5403 1 7 . 1 1 913 913 SER HA H 913 4.671 4.671 4.228 0.443 19955 5404 1 7 . 1 1 913 913 SER C C 913 174.781 174.781 174.544 0.237 19955 5405 1 7 . 1 1 913 913 SER CA C 913 57.411 57.411 61.071 -3.659 19955 5406 1 7 . 1 1 913 913 SER CB C 913 63.258 63.258 63.805 -0.547 19955 5407 1 7 . 1 1 913 913 SER H H 913 7.896 7.896 8.169 -0.273 19955 5408 1 7 . 1 1 914 914 ARG N N 914 124.284 124.284 117.202 7.082 19955 5409 1 7 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.661 -0.408 19955 5410 1 7 . 1 1 914 914 ARG C C 914 174.712 174.712 173.662 1.050 19955 5411 1 7 . 1 1 914 914 ARG CA C 914 56.960 56.960 55.365 1.595 19955 5412 1 7 . 1 1 914 914 ARG CB C 914 30.694 30.694 34.062 -3.368 19955 5413 1 7 . 1 1 914 914 ARG H H 914 8.631 8.631 7.882 0.749 19955 5414 1 7 . 1 1 915 915 GLN N N 915 124.297 124.297 121.348 2.949 19955 5415 1 7 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.309 0.072 19955 5416 1 7 . 1 1 915 915 GLN C C 915 174.377 174.377 174.523 -0.146 19955 5417 1 7 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.844 0.722 19955 5418 1 7 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.586 -1.580 19955 5419 1 7 . 1 1 915 915 GLN H H 915 8.054 8.054 8.586 -0.532 19955 5420 1 7 . 1 1 916 916 GLY N N 916 112.028 112.028 112.054 -0.026 19955 5421 1 7 . 1 1 916 916 GLY C C 916 172.185 172.185 172.029 0.156 19955 5422 1 7 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.874 -0.627 19955 5423 1 7 . 1 1 916 916 GLY H H 916 8.818 8.818 8.793 0.025 19955 5424 1 7 . 1 1 917 917 ILE N N 917 113.634 113.634 115.928 -2.294 19955 5425 1 7 . 1 1 917 917 ILE HA H 917 6.028 6.028 5.495 0.533 19955 5426 1 7 . 1 1 917 917 ILE C C 917 176.584 176.584 174.417 2.167 19955 5427 1 7 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.446 1.533 19955 5428 1 7 . 1 1 917 917 ILE CB C 917 41.225 41.225 41.674 -0.449 19955 5429 1 7 . 1 1 917 917 ILE H H 917 8.714 8.714 8.770 -0.056 19955 5430 1 7 . 1 1 918 918 PHE N N 918 115.806 115.806 115.903 -0.097 19955 5431 1 7 . 1 1 918 918 PHE C C 918 170.959 170.959 172.807 -1.848 19955 5432 1 7 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.012 0.607 19955 5433 1 7 . 1 1 918 918 PHE CB C 918 38.622 38.622 40.085 -1.463 19955 5434 1 7 . 1 1 918 918 PHE H H 918 8.573 8.573 7.893 0.680 19955 5435 1 7 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.325 -0.225 19955 5436 1 7 . 1 1 919 919 PRO C C 919 178.655 178.655 177.509 1.146 19955 5437 1 7 . 1 1 919 919 PRO CA C 919 60.998 60.998 62.101 -1.103 19955 5438 1 7 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.945 -0.735 19955 5439 1 7 . 1 1 920 920 ILE N N 920 123.677 123.677 123.679 -0.002 19955 5440 1 7 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.944 -0.253 19955 5441 1 7 . 1 1 920 920 ILE C C 920 176.798 176.798 178.122 -1.324 19955 5442 1 7 . 1 1 920 920 ILE CA C 920 63.373 63.373 65.234 -1.861 19955 5443 1 7 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.835 1.016 19955 5444 1 7 . 1 1 920 920 ILE H H 920 7.949 7.949 7.548 0.401 19955 5445 1 7 . 1 1 921 921 THR N N 921 106.993 106.993 113.704 -6.711 19955 5446 1 7 . 1 1 921 921 THR HA H 921 4.294 4.294 3.972 0.322 19955 5447 1 7 . 1 1 921 921 THR C C 921 175.639 175.639 175.939 -0.300 19955 5448 1 7 . 1 1 921 921 THR CA C 921 62.983 62.983 66.470 -3.487 19955 5449 1 7 . 1 1 921 921 THR CB C 921 69.104 69.104 68.562 0.542 19955 5450 1 7 . 1 1 921 921 THR H H 921 7.500 7.500 8.550 -1.050 19955 5451 1 7 . 1 1 922 922 TYR N N 922 118.600 118.600 118.288 0.312 19955 5452 1 7 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.736 -0.096 19955 5453 1 7 . 1 1 922 922 TYR C C 922 175.481 175.481 175.550 -0.069 19955 5454 1 7 . 1 1 922 922 TYR CA C 922 59.448 59.448 58.266 1.182 19955 5455 1 7 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.219 0.380 19955 5456 1 7 . 1 1 922 922 TYR H H 922 7.836 7.836 7.886 -0.050 19955 5457 1 7 . 1 1 923 923 VAL N N 923 109.058 109.058 113.500 -4.442 19955 5458 1 7 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.849 0.110 19955 5459 1 7 . 1 1 923 923 VAL C C 923 172.905 172.905 174.514 -1.609 19955 5460 1 7 . 1 1 923 923 VAL CA C 923 58.490 58.490 58.555 -0.065 19955 5461 1 7 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.068 0.219 19955 5462 1 7 . 1 1 923 923 VAL H H 923 7.701 7.701 8.286 -0.585 19955 5463 1 7 . 1 1 924 924 ASP N N 924 120.115 120.115 121.906 -1.791 19955 5464 1 7 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.851 0.083 19955 5465 1 7 . 1 1 924 924 ASP C C 924 175.863 175.863 175.063 0.800 19955 5466 1 7 . 1 1 924 924 ASP CA C 924 52.934 52.934 52.327 0.607 19955 5467 1 7 . 1 1 924 924 ASP CB C 924 42.263 42.263 42.477 -0.214 19955 5468 1 7 . 1 1 924 924 ASP H H 924 8.658 8.658 8.923 -0.265 19955 5469 1 7 . 1 1 925 925 VAL N N 925 125.090 125.090 126.938 -1.848 19955 5470 1 7 . 1 1 925 925 VAL HA H 925 3.679 3.679 4.065 -0.386 19955 5471 1 7 . 1 1 925 925 VAL C C 925 175.620 175.620 175.733 -0.113 19955 5472 1 7 . 1 1 925 925 VAL CA C 925 64.215 64.215 62.575 1.640 19955 5473 1 7 . 1 1 925 925 VAL CB C 925 31.721 31.721 32.019 -0.298 19955 5474 1 7 . 1 1 925 925 VAL H H 925 8.911 8.911 8.674 0.237 19955 5475 1 7 . 1 1 926 926 ILE N N 926 129.390 129.390 128.158 1.232 19955 5476 1 7 . 1 1 926 926 ILE HA H 926 4.037 4.037 3.947 0.090 19955 5477 1 7 . 1 1 926 926 ILE C C 926 175.683 175.683 176.074 -0.391 19955 5478 1 7 . 1 1 926 926 ILE CA C 926 61.578 61.578 62.639 -1.061 19955 5479 1 7 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.487 0.060 19955 5480 1 7 . 1 1 926 926 ILE H H 926 8.519 8.519 8.754 -0.235 19955 5481 1 7 . 1 1 927 927 LYS N N 927 122.060 122.060 120.358 1.702 19955 5482 1 7 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.479 0.133 19955 5483 1 7 . 1 1 927 927 LYS C C 927 175.204 175.204 174.631 0.573 19955 5484 1 7 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.240 0.357 19955 5485 1 7 . 1 1 927 927 LYS CB C 927 35.633 35.633 34.669 0.964 19955 5486 1 7 . 1 1 927 927 LYS H H 927 8.017 8.017 7.469 0.548 19955 5487 1 7 . 1 1 928 928 ARG N N 928 126.441 126.441 125.333 1.108 19955 5488 1 7 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.785 -0.358 19955 5489 1 7 . 1 1 928 928 ARG C C 928 173.959 173.959 174.291 -0.332 19955 5490 1 7 . 1 1 928 928 ARG CA C 928 55.488 55.488 53.608 1.880 19955 5491 1 7 . 1 1 928 928 ARG CB C 928 29.713 29.713 30.603 -0.890 19955 5492 1 7 . 1 1 928 928 ARG H H 928 8.729 8.729 8.651 0.078 19955 5493 1 7 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.555 -0.042 19955 5494 1 7 . 1 1 929 929 PRO CA C 929 62.718 62.718 62.854 -0.136 19955 5495 1 7 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.437 -0.821 19955 5496 1 8 . 1 1 790 790 MET HA H 790 4.396 4.396 4.124 0.272 19955 5497 1 8 . 1 1 790 790 MET CA C 790 55.378 55.378 55.818 -0.440 19955 5498 1 8 . 1 1 790 790 MET CB C 790 32.960 32.960 29.817 3.143 19955 5499 1 8 . 1 1 791 791 SER N N 791 118.373 118.373 115.249 3.124 19955 5500 1 8 . 1 1 791 791 SER HA H 791 4.362 4.362 4.365 -0.003 19955 5501 1 8 . 1 1 791 791 SER C C 791 175.043 175.043 176.012 -0.969 19955 5502 1 8 . 1 1 791 791 SER CA C 791 58.532 58.532 60.088 -1.556 19955 5503 1 8 . 1 1 791 791 SER CB C 791 63.749 63.749 63.325 0.424 19955 5504 1 8 . 1 1 791 791 SER H H 791 8.657 8.657 8.541 0.116 19955 5505 1 8 . 1 1 792 792 GLY N N 792 111.254 111.254 108.246 3.008 19955 5506 1 8 . 1 1 792 792 GLY C C 792 174.362 174.362 175.372 -1.010 19955 5507 1 8 . 1 1 792 792 GLY CA C 792 45.539 45.539 44.758 0.781 19955 5508 1 8 . 1 1 792 792 GLY H H 792 8.560 8.560 8.046 0.514 19955 5509 1 8 . 1 1 793 793 SER N N 793 115.369 115.369 115.387 -0.018 19955 5510 1 8 . 1 1 793 793 SER HA H 793 4.409 4.409 4.254 0.155 19955 5511 1 8 . 1 1 793 793 SER C C 793 174.396 174.396 174.866 -0.470 19955 5512 1 8 . 1 1 793 793 SER CA C 793 58.485 58.485 60.541 -2.056 19955 5513 1 8 . 1 1 793 793 SER CB C 793 63.845 63.845 63.714 0.131 19955 5514 1 8 . 1 1 793 793 SER H H 793 8.102 8.102 7.591 0.511 19955 5515 1 8 . 1 1 794 794 GLU N N 794 122.660 122.660 118.501 4.159 19955 5516 1 8 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.039 0.171 19955 5517 1 8 . 1 1 794 794 GLU C C 794 175.970 175.970 177.640 -1.670 19955 5518 1 8 . 1 1 794 794 GLU CA C 794 56.849 56.849 57.880 -1.031 19955 5519 1 8 . 1 1 794 794 GLU CB C 794 30.261 30.261 29.700 0.561 19955 5520 1 8 . 1 1 794 794 GLU H H 794 8.565 8.565 7.964 0.601 19955 5521 1 8 . 1 1 795 795 MET N N 795 119.544 119.544 119.117 0.427 19955 5522 1 8 . 1 1 795 795 MET HA H 795 4.653 4.653 4.342 0.311 19955 5523 1 8 . 1 1 795 795 MET C C 795 175.590 175.590 176.904 -1.314 19955 5524 1 8 . 1 1 795 795 MET CA C 795 55.135 55.135 57.226 -2.091 19955 5525 1 8 . 1 1 795 795 MET CB C 795 32.378 32.378 33.004 -0.626 19955 5526 1 8 . 1 1 795 795 MET H H 795 8.156 8.156 8.268 -0.112 19955 5527 1 8 . 1 1 796 796 ARG N N 796 122.177 122.177 116.641 5.536 19955 5528 1 8 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.780 0.131 19955 5529 1 8 . 1 1 796 796 ARG C C 796 173.378 173.378 173.363 0.015 19955 5530 1 8 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.572 -0.637 19955 5531 1 8 . 1 1 796 796 ARG CB C 796 32.172 32.172 33.125 -0.953 19955 5532 1 8 . 1 1 796 796 ARG H H 796 8.358 8.358 7.772 0.586 19955 5533 1 8 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.790 -0.094 19955 5534 1 8 . 1 1 797 797 PRO C C 797 175.805 175.805 175.275 0.530 19955 5535 1 8 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.226 -0.069 19955 5536 1 8 . 1 1 797 797 PRO CB C 797 32.377 32.377 32.545 -0.168 19955 5537 1 8 . 1 1 798 798 ALA N N 798 123.383 123.383 124.155 -0.772 19955 5538 1 8 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.847 -0.148 19955 5539 1 8 . 1 1 798 798 ALA C C 798 173.534 173.534 174.955 -1.421 19955 5540 1 8 . 1 1 798 798 ALA CA C 798 50.823 50.823 50.297 0.526 19955 5541 1 8 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.207 0.516 19955 5542 1 8 . 1 1 798 798 ALA H H 798 8.820 8.820 8.562 0.258 19955 5543 1 8 . 1 1 799 799 ARG N N 799 118.968 118.968 120.424 -1.456 19955 5544 1 8 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.526 0.815 19955 5545 1 8 . 1 1 799 799 ARG C C 799 176.215 176.215 174.693 1.522 19955 5546 1 8 . 1 1 799 799 ARG CA C 799 53.122 53.122 53.858 -0.736 19955 5547 1 8 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.743 0.696 19955 5548 1 8 . 1 1 799 799 ARG H H 799 8.803 8.803 7.956 0.847 19955 5549 1 8 . 1 1 800 800 ALA N N 800 128.073 128.073 127.664 0.409 19955 5550 1 8 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.089 0.448 19955 5551 1 8 . 1 1 800 800 ALA C C 800 178.146 178.146 176.575 1.571 19955 5552 1 8 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.683 0.525 19955 5553 1 8 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.671 -1.017 19955 5554 1 8 . 1 1 800 800 ALA H H 800 9.037 9.037 8.438 0.599 19955 5555 1 8 . 1 1 801 801 LYS N N 801 127.334 127.334 124.931 2.403 19955 5556 1 8 . 1 1 801 801 LYS HA H 801 3.758 3.758 4.224 -0.466 19955 5557 1 8 . 1 1 801 801 LYS C C 801 174.213 174.213 175.354 -1.141 19955 5558 1 8 . 1 1 801 801 LYS CA C 801 57.344 57.344 57.145 0.199 19955 5559 1 8 . 1 1 801 801 LYS CB C 801 33.647 33.647 34.186 -0.539 19955 5560 1 8 . 1 1 801 801 LYS H H 801 9.291 9.291 8.710 0.581 19955 5561 1 8 . 1 1 802 802 PHE N N 802 111.696 111.696 115.240 -3.544 19955 5562 1 8 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.637 0.104 19955 5563 1 8 . 1 1 802 802 PHE C C 802 173.408 173.408 174.472 -1.064 19955 5564 1 8 . 1 1 802 802 PHE CA C 802 53.369 53.369 57.106 -3.737 19955 5565 1 8 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.354 0.888 19955 5566 1 8 . 1 1 802 802 PHE H H 802 7.069 7.069 7.871 -0.802 19955 5567 1 8 . 1 1 803 803 ASP N N 803 117.498 117.498 119.392 -1.894 19955 5568 1 8 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.621 -0.097 19955 5569 1 8 . 1 1 803 803 ASP C C 803 175.782 175.782 174.590 1.192 19955 5570 1 8 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.335 1.391 19955 5571 1 8 . 1 1 803 803 ASP CB C 803 41.154 41.154 42.233 -1.079 19955 5572 1 8 . 1 1 803 803 ASP H H 803 8.339 8.339 8.519 -0.180 19955 5573 1 8 . 1 1 804 804 PHE N N 804 123.264 123.264 118.353 4.911 19955 5574 1 8 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.572 0.420 19955 5575 1 8 . 1 1 804 804 PHE C C 804 173.750 173.750 173.932 -0.182 19955 5576 1 8 . 1 1 804 804 PHE CA C 804 56.221 56.221 57.311 -1.090 19955 5577 1 8 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.965 -0.833 19955 5578 1 8 . 1 1 804 804 PHE H H 804 9.223 9.223 9.034 0.189 19955 5579 1 8 . 1 1 805 805 LYS N N 805 129.548 129.548 128.441 1.107 19955 5580 1 8 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.340 -0.219 19955 5581 1 8 . 1 1 805 805 LYS C C 805 174.042 174.042 174.681 -0.639 19955 5582 1 8 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.534 -0.166 19955 5583 1 8 . 1 1 805 805 LYS CB C 805 31.781 31.781 32.746 -0.965 19955 5584 1 8 . 1 1 805 805 LYS H H 805 8.125 8.125 7.844 0.281 19955 5585 1 8 . 1 1 806 806 ALA N N 806 127.231 127.231 128.039 -0.808 19955 5586 1 8 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.151 -0.269 19955 5587 1 8 . 1 1 806 806 ALA C C 806 178.066 178.066 177.520 0.546 19955 5588 1 8 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.387 -0.789 19955 5589 1 8 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.728 0.777 19955 5590 1 8 . 1 1 806 806 ALA H H 806 7.291 7.291 8.393 -1.102 19955 5591 1 8 . 1 1 807 807 GLN N N 807 121.482 121.482 121.762 -0.280 19955 5592 1 8 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.327 -0.001 19955 5593 1 8 . 1 1 807 807 GLN C C 807 175.927 175.927 176.093 -0.166 19955 5594 1 8 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.443 -0.237 19955 5595 1 8 . 1 1 807 807 GLN CB C 807 30.942 30.942 30.221 0.721 19955 5596 1 8 . 1 1 807 807 GLN H H 807 9.375 9.375 9.767 -0.392 19955 5597 1 8 . 1 1 808 808 THR N N 808 108.842 108.842 114.228 -5.386 19955 5598 1 8 . 1 1 808 808 THR HA H 808 4.661 4.661 4.544 0.117 19955 5599 1 8 . 1 1 808 808 THR C C 808 175.262 175.262 173.995 1.267 19955 5600 1 8 . 1 1 808 808 THR CA C 808 59.313 59.313 60.936 -1.623 19955 5601 1 8 . 1 1 808 808 THR CB C 808 71.810 71.810 70.885 0.925 19955 5602 1 8 . 1 1 808 808 THR H H 808 7.472 7.472 7.763 -0.291 19955 5603 1 8 . 1 1 809 809 LEU N N 809 119.518 119.518 121.348 -1.830 19955 5604 1 8 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.123 0.077 19955 5605 1 8 . 1 1 809 809 LEU C C 809 177.895 177.895 178.116 -0.221 19955 5606 1 8 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.339 -0.251 19955 5607 1 8 . 1 1 809 809 LEU CB C 809 41.901 41.901 42.139 -0.238 19955 5608 1 8 . 1 1 809 809 LEU H H 809 8.387 8.387 8.280 0.107 19955 5609 1 8 . 1 1 810 810 LYS N N 810 115.587 115.587 118.564 -2.977 19955 5610 1 8 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.101 0.129 19955 5611 1 8 . 1 1 810 810 LYS C C 810 177.172 177.172 176.456 0.716 19955 5612 1 8 . 1 1 810 810 LYS CA C 810 56.807 56.807 57.686 -0.879 19955 5613 1 8 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.298 0.761 19955 5614 1 8 . 1 1 810 810 LYS H H 810 7.707 7.707 8.130 -0.423 19955 5615 1 8 . 1 1 811 811 GLU N N 811 119.522 119.522 117.414 2.108 19955 5616 1 8 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.235 0.464 19955 5617 1 8 . 1 1 811 811 GLU C C 811 174.240 174.240 175.490 -1.250 19955 5618 1 8 . 1 1 811 811 GLU CA C 811 55.419 55.419 57.041 -1.622 19955 5619 1 8 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.023 2.331 19955 5620 1 8 . 1 1 811 811 GLU H H 811 7.244 7.244 7.918 -0.674 19955 5621 1 8 . 1 1 812 812 LEU N N 812 126.910 126.910 125.001 1.909 19955 5622 1 8 . 1 1 812 812 LEU C C 812 172.269 172.269 174.859 -2.590 19955 5623 1 8 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.271 -0.760 19955 5624 1 8 . 1 1 812 812 LEU CB C 812 45.092 45.092 42.859 2.233 19955 5625 1 8 . 1 1 812 812 LEU H H 812 9.168 9.168 8.515 0.653 19955 5626 1 8 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.591 -0.154 19955 5627 1 8 . 1 1 813 813 PRO C C 813 176.755 176.755 175.737 1.018 19955 5628 1 8 . 1 1 813 813 PRO CA C 813 62.546 62.546 63.059 -0.513 19955 5629 1 8 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.293 -0.318 19955 5630 1 8 . 1 1 814 814 LEU N N 814 118.726 118.726 123.931 -5.205 19955 5631 1 8 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.588 0.058 19955 5632 1 8 . 1 1 814 814 LEU C C 814 176.452 176.452 175.235 1.217 19955 5633 1 8 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.772 -0.381 19955 5634 1 8 . 1 1 814 814 LEU CB C 814 46.896 46.896 45.906 0.990 19955 5635 1 8 . 1 1 814 814 LEU H H 814 8.532 8.532 8.138 0.394 19955 5636 1 8 . 1 1 815 815 GLN N N 815 123.473 123.473 119.987 3.486 19955 5637 1 8 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.537 0.214 19955 5638 1 8 . 1 1 815 815 GLN C C 815 174.820 174.820 174.450 0.370 19955 5639 1 8 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.472 -0.136 19955 5640 1 8 . 1 1 815 815 GLN CB C 815 31.094 31.094 31.472 -0.378 19955 5641 1 8 . 1 1 815 815 GLN H H 815 8.938 8.938 8.498 0.440 19955 5642 1 8 . 1 1 816 816 LYS N N 816 122.982 122.982 127.674 -4.692 19955 5643 1 8 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.821 -0.706 19955 5644 1 8 . 1 1 816 816 LYS C C 816 177.030 177.030 176.898 0.132 19955 5645 1 8 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.384 0.292 19955 5646 1 8 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.885 0.357 19955 5647 1 8 . 1 1 816 816 LYS H H 816 8.888 8.888 8.985 -0.097 19955 5648 1 8 . 1 1 817 817 GLY N N 817 115.370 115.370 114.778 0.592 19955 5649 1 8 . 1 1 817 817 GLY C C 817 174.271 174.271 174.075 0.196 19955 5650 1 8 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.538 0.123 19955 5651 1 8 . 1 1 817 817 GLY H H 817 8.870 8.870 8.420 0.450 19955 5652 1 8 . 1 1 818 818 ASP N N 818 123.102 123.102 122.692 0.410 19955 5653 1 8 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.533 -0.204 19955 5654 1 8 . 1 1 818 818 ASP C C 818 175.076 175.076 176.148 -1.072 19955 5655 1 8 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.814 0.781 19955 5656 1 8 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.693 -0.155 19955 5657 1 8 . 1 1 818 818 ASP H H 818 8.468 8.468 8.222 0.246 19955 5658 1 8 . 1 1 819 819 ILE N N 819 121.053 121.053 124.780 -3.727 19955 5659 1 8 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.294 0.526 19955 5660 1 8 . 1 1 819 819 ILE C C 819 175.630 175.630 175.610 0.020 19955 5661 1 8 . 1 1 819 819 ILE CA C 819 58.602 58.602 59.295 -0.693 19955 5662 1 8 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.048 -0.507 19955 5663 1 8 . 1 1 819 819 ILE H H 819 8.286 8.286 8.150 0.136 19955 5664 1 8 . 1 1 820 820 VAL N N 820 124.554 124.554 119.164 5.390 19955 5665 1 8 . 1 1 820 820 VAL HA H 820 4.679 4.679 5.031 -0.352 19955 5666 1 8 . 1 1 820 820 VAL C C 820 172.751 172.751 174.062 -1.311 19955 5667 1 8 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.877 -1.016 19955 5668 1 8 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.423 -1.051 19955 5669 1 8 . 1 1 820 820 VAL H H 820 8.717 8.717 8.315 0.402 19955 5670 1 8 . 1 1 821 821 TYR N N 821 120.296 120.296 121.458 -1.162 19955 5671 1 8 . 1 1 821 821 TYR HA H 821 4.803 4.803 4.573 0.230 19955 5672 1 8 . 1 1 821 821 TYR C C 821 175.760 175.760 175.223 0.537 19955 5673 1 8 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.596 0.242 19955 5674 1 8 . 1 1 821 821 TYR CB C 821 40.132 40.132 39.301 0.831 19955 5675 1 8 . 1 1 821 821 TYR H H 821 8.360 8.360 8.238 0.122 19955 5676 1 8 . 1 1 822 822 ILE N N 822 123.440 123.440 123.664 -0.224 19955 5677 1 8 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.262 -0.397 19955 5678 1 8 . 1 1 822 822 ILE C C 822 176.541 176.541 175.486 1.055 19955 5679 1 8 . 1 1 822 822 ILE CA C 822 62.327 62.327 59.166 3.160 19955 5680 1 8 . 1 1 822 822 ILE CB C 822 39.429 39.429 36.473 2.956 19955 5681 1 8 . 1 1 822 822 ILE H H 822 8.991 8.991 8.625 0.366 19955 5682 1 8 . 1 1 823 823 TYR N N 823 127.197 127.197 126.662 0.535 19955 5683 1 8 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.578 0.490 19955 5684 1 8 . 1 1 823 823 TYR C C 823 176.327 176.327 175.207 1.120 19955 5685 1 8 . 1 1 823 823 TYR CA C 823 56.331 56.331 58.595 -2.264 19955 5686 1 8 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.277 -1.992 19955 5687 1 8 . 1 1 823 823 TYR H H 823 9.699 9.699 8.290 1.409 19955 5688 1 8 . 1 1 824 824 LYS N N 824 113.691 113.691 115.989 -2.298 19955 5689 1 8 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.824 -0.160 19955 5690 1 8 . 1 1 824 824 LYS C C 824 174.044 174.044 174.413 -0.369 19955 5691 1 8 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.522 -0.221 19955 5692 1 8 . 1 1 824 824 LYS CB C 824 35.104 35.104 35.115 -0.011 19955 5693 1 8 . 1 1 824 824 LYS H H 824 7.904 7.904 7.470 0.434 19955 5694 1 8 . 1 1 825 825 GLN N N 825 122.998 122.998 121.633 1.365 19955 5695 1 8 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.254 0.360 19955 5696 1 8 . 1 1 825 825 GLN C C 825 175.372 175.372 175.836 -0.464 19955 5697 1 8 . 1 1 825 825 GLN CA C 825 55.970 55.970 54.914 1.056 19955 5698 1 8 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.241 -0.227 19955 5699 1 8 . 1 1 825 825 GLN H H 825 9.091 9.091 8.737 0.354 19955 5700 1 8 . 1 1 826 826 ILE N N 826 126.911 126.911 126.524 0.387 19955 5701 1 8 . 1 1 826 826 ILE HA H 826 3.950 3.950 3.943 0.007 19955 5702 1 8 . 1 1 826 826 ILE C C 826 175.447 175.447 176.625 -1.178 19955 5703 1 8 . 1 1 826 826 ILE CA C 826 62.062 62.062 63.405 -1.343 19955 5704 1 8 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.208 -0.029 19955 5705 1 8 . 1 1 826 826 ILE H H 826 8.356 8.356 8.273 0.083 19955 5706 1 8 . 1 1 827 827 ASP N N 827 118.575 118.575 115.728 2.847 19955 5707 1 8 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.780 -0.361 19955 5708 1 8 . 1 1 827 827 ASP C C 827 175.673 175.673 175.123 0.550 19955 5709 1 8 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.153 1.102 19955 5710 1 8 . 1 1 827 827 ASP CB C 827 40.120 40.120 42.958 -2.838 19955 5711 1 8 . 1 1 827 827 ASP H H 827 7.952 7.952 7.940 0.012 19955 5712 1 8 . 1 1 828 828 GLN N N 828 113.633 113.633 118.517 -4.884 19955 5713 1 8 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.012 -0.140 19955 5714 1 8 . 1 1 828 828 GLN C C 828 175.745 175.745 176.077 -0.332 19955 5715 1 8 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.129 0.132 19955 5716 1 8 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.796 -0.298 19955 5717 1 8 . 1 1 828 828 GLN H H 828 8.468 8.468 8.230 0.238 19955 5718 1 8 . 1 1 829 829 ASN N N 829 114.412 114.412 113.854 0.558 19955 5719 1 8 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.740 0.002 19955 5720 1 8 . 1 1 829 829 ASN C C 829 175.652 175.652 173.583 2.069 19955 5721 1 8 . 1 1 829 829 ASN CA C 829 53.641 53.641 53.391 0.251 19955 5722 1 8 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.363 2.452 19955 5723 1 8 . 1 1 829 829 ASN H H 829 8.799 8.799 7.903 0.896 19955 5724 1 8 . 1 1 830 830 TRP N N 830 121.661 121.661 118.631 3.030 19955 5725 1 8 . 1 1 830 830 TRP HA H 830 4.810 4.810 4.911 -0.101 19955 5726 1 8 . 1 1 830 830 TRP C C 830 175.077 175.077 174.893 0.184 19955 5727 1 8 . 1 1 830 830 TRP CA C 830 57.290 57.290 54.530 2.760 19955 5728 1 8 . 1 1 830 830 TRP CB C 830 32.570 32.570 30.613 1.957 19955 5729 1 8 . 1 1 830 830 TRP H H 830 8.033 8.033 7.297 0.736 19955 5730 1 8 . 1 1 831 831 TYR N N 831 120.163 120.163 121.295 -1.132 19955 5731 1 8 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.685 0.360 19955 5732 1 8 . 1 1 831 831 TYR C C 831 173.672 173.672 173.188 0.484 19955 5733 1 8 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.673 -0.301 19955 5734 1 8 . 1 1 831 831 TYR CB C 831 42.726 42.726 43.315 -0.589 19955 5735 1 8 . 1 1 831 831 TYR H H 831 8.721 8.721 8.893 -0.172 19955 5736 1 8 . 1 1 832 832 GLU N N 832 117.935 117.935 120.518 -2.583 19955 5737 1 8 . 1 1 832 832 GLU HA H 832 4.937 4.937 4.734 0.203 19955 5738 1 8 . 1 1 832 832 GLU C C 832 176.121 176.121 174.773 1.348 19955 5739 1 8 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.107 0.297 19955 5740 1 8 . 1 1 832 832 GLU CB C 832 33.955 33.955 34.043 -0.088 19955 5741 1 8 . 1 1 832 832 GLU H H 832 8.696 8.696 8.352 0.344 19955 5742 1 8 . 1 1 833 833 GLY N N 833 115.171 115.171 111.205 3.966 19955 5743 1 8 . 1 1 833 833 GLY C C 833 168.962 168.962 171.965 -3.003 19955 5744 1 8 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.498 1.125 19955 5745 1 8 . 1 1 833 833 GLY H H 833 9.063 9.063 8.084 0.979 19955 5746 1 8 . 1 1 834 834 GLU N N 834 117.849 117.849 120.532 -2.683 19955 5747 1 8 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.659 0.030 19955 5748 1 8 . 1 1 834 834 GLU C C 834 175.077 175.077 175.430 -0.353 19955 5749 1 8 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.633 -0.667 19955 5750 1 8 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.364 1.680 19955 5751 1 8 . 1 1 834 834 GLU H H 834 8.708 8.708 8.727 -0.019 19955 5752 1 8 . 1 1 835 835 HIS N N 835 120.973 120.973 124.460 -3.487 19955 5753 1 8 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.163 -0.329 19955 5754 1 8 . 1 1 835 835 HIS C C 835 174.509 174.509 174.923 -0.414 19955 5755 1 8 . 1 1 835 835 HIS CA C 835 56.249 56.249 55.223 1.026 19955 5756 1 8 . 1 1 835 835 HIS CB C 835 33.211 33.211 33.275 -0.064 19955 5757 1 8 . 1 1 835 835 HIS H H 835 8.799 8.799 9.509 -0.710 19955 5758 1 8 . 1 1 836 836 HIS N N 836 125.728 125.728 126.275 -0.547 19955 5759 1 8 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.094 0.072 19955 5760 1 8 . 1 1 836 836 HIS C C 836 175.012 175.012 174.343 0.669 19955 5761 1 8 . 1 1 836 836 HIS CA C 836 55.689 55.689 57.251 -1.562 19955 5762 1 8 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.800 -0.806 19955 5763 1 8 . 1 1 836 836 HIS H H 836 9.163 9.163 9.165 -0.002 19955 5764 1 8 . 1 1 837 837 GLY N N 837 104.909 104.909 103.509 1.400 19955 5765 1 8 . 1 1 837 837 GLY C C 837 173.235 173.235 173.841 -0.606 19955 5766 1 8 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.251 0.403 19955 5767 1 8 . 1 1 837 837 GLY H H 837 9.070 9.070 8.439 0.631 19955 5768 1 8 . 1 1 838 838 ARG N N 838 122.925 122.925 118.716 4.209 19955 5769 1 8 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.850 -0.257 19955 5770 1 8 . 1 1 838 838 ARG C C 838 173.682 173.682 174.220 -0.538 19955 5771 1 8 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.783 0.098 19955 5772 1 8 . 1 1 838 838 ARG CB C 838 32.058 32.058 34.227 -2.169 19955 5773 1 8 . 1 1 838 838 ARG H H 838 7.814 7.814 8.247 -0.433 19955 5774 1 8 . 1 1 839 839 VAL N N 839 123.572 123.572 121.209 2.363 19955 5775 1 8 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.288 -0.154 19955 5776 1 8 . 1 1 839 839 VAL C C 839 177.296 177.296 174.768 2.528 19955 5777 1 8 . 1 1 839 839 VAL CA C 839 60.200 60.200 60.131 0.069 19955 5778 1 8 . 1 1 839 839 VAL CB C 839 33.994 33.994 34.403 -0.409 19955 5779 1 8 . 1 1 839 839 VAL H H 839 8.360 8.360 8.660 -0.300 19955 5780 1 8 . 1 1 840 840 GLY N N 840 114.006 114.006 113.986 0.020 19955 5781 1 8 . 1 1 840 840 GLY C C 840 171.246 171.246 171.758 -0.512 19955 5782 1 8 . 1 1 840 840 GLY CA C 840 45.896 45.896 45.123 0.773 19955 5783 1 8 . 1 1 840 840 GLY H H 840 8.951 8.951 8.088 0.863 19955 5784 1 8 . 1 1 841 841 ILE N N 841 112.496 112.496 115.671 -3.175 19955 5785 1 8 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.858 1.023 19955 5786 1 8 . 1 1 841 841 ILE C C 841 176.120 176.120 173.636 2.484 19955 5787 1 8 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.477 0.890 19955 5788 1 8 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.897 -0.980 19955 5789 1 8 . 1 1 841 841 ILE H H 841 8.434 8.434 7.790 0.644 19955 5790 1 8 . 1 1 842 842 PHE N N 842 116.289 116.289 115.543 0.746 19955 5791 1 8 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.485 0.486 19955 5792 1 8 . 1 1 842 842 PHE C C 842 171.777 171.777 172.423 -0.646 19955 5793 1 8 . 1 1 842 842 PHE CA C 842 54.265 54.265 55.257 -0.992 19955 5794 1 8 . 1 1 842 842 PHE CB C 842 37.515 37.515 38.871 -1.356 19955 5795 1 8 . 1 1 842 842 PHE H H 842 8.408 8.408 7.948 0.460 19955 5796 1 8 . 1 1 843 843 PRO HA H 843 3.934 3.934 5.157 -1.223 19955 5797 1 8 . 1 1 843 843 PRO C C 843 178.228 178.228 178.401 -0.173 19955 5798 1 8 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.706 -1.093 19955 5799 1 8 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.990 -0.595 19955 5800 1 8 . 1 1 844 844 ARG N N 844 122.291 122.291 124.644 -2.353 19955 5801 1 8 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.186 -0.242 19955 5802 1 8 . 1 1 844 844 ARG C C 844 178.171 178.171 177.797 0.374 19955 5803 1 8 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.133 -0.515 19955 5804 1 8 . 1 1 844 844 ARG CB C 844 30.297 30.297 29.360 0.937 19955 5805 1 8 . 1 1 844 844 ARG H H 844 7.906 7.906 8.490 -0.584 19955 5806 1 8 . 1 1 845 845 THR N N 845 105.068 105.068 113.781 -8.713 19955 5807 1 8 . 1 1 845 845 THR HA H 845 4.159 4.159 4.240 -0.081 19955 5808 1 8 . 1 1 845 845 THR C C 845 175.363 175.363 174.180 1.183 19955 5809 1 8 . 1 1 845 845 THR CA C 845 63.035 63.035 64.129 -1.094 19955 5810 1 8 . 1 1 845 845 THR CB C 845 69.022 69.022 68.766 0.256 19955 5811 1 8 . 1 1 845 845 THR H H 845 7.907 7.907 8.294 -0.387 19955 5812 1 8 . 1 1 846 846 TYR N N 846 118.977 118.977 117.979 0.998 19955 5813 1 8 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.870 -0.335 19955 5814 1 8 . 1 1 846 846 TYR C C 846 174.917 174.917 173.679 1.238 19955 5815 1 8 . 1 1 846 846 TYR CA C 846 58.751 58.751 56.184 2.567 19955 5816 1 8 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.584 -1.529 19955 5817 1 8 . 1 1 846 846 TYR H H 846 7.611 7.611 8.212 -0.601 19955 5818 1 8 . 1 1 847 847 ILE N N 847 113.230 113.230 113.755 -0.525 19955 5819 1 8 . 1 1 847 847 ILE HA H 847 5.099 5.099 4.884 0.215 19955 5820 1 8 . 1 1 847 847 ILE C C 847 174.141 174.141 174.518 -0.377 19955 5821 1 8 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.257 -0.803 19955 5822 1 8 . 1 1 847 847 ILE CB C 847 42.191 42.191 41.758 0.433 19955 5823 1 8 . 1 1 847 847 ILE H H 847 7.390 7.390 6.991 0.399 19955 5824 1 8 . 1 1 848 848 GLU N N 848 121.909 121.909 118.061 3.848 19955 5825 1 8 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.557 -0.009 19955 5826 1 8 . 1 1 848 848 GLU C C 848 175.193 175.193 175.374 -0.181 19955 5827 1 8 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.433 -0.769 19955 5828 1 8 . 1 1 848 848 GLU CB C 848 32.624 32.624 32.845 -0.221 19955 5829 1 8 . 1 1 848 848 GLU H H 848 8.786 8.786 8.639 0.147 19955 5830 1 8 . 1 1 849 849 LEU N N 849 126.431 126.431 123.464 2.967 19955 5831 1 8 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.351 -0.260 19955 5832 1 8 . 1 1 849 849 LEU C C 849 177.019 177.019 176.207 0.812 19955 5833 1 8 . 1 1 849 849 LEU CA C 849 55.667 55.667 53.762 1.905 19955 5834 1 8 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.698 -1.156 19955 5835 1 8 . 1 1 849 849 LEU H H 849 8.730 8.730 8.469 0.261 19955 5836 1 8 . 1 1 850 850 LEU N N 850 123.942 123.942 125.644 -1.702 19955 5837 1 8 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.046 0.516 19955 5838 1 8 . 1 1 850 850 LEU C C 850 174.453 174.453 174.119 0.334 19955 5839 1 8 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.598 -1.793 19955 5840 1 8 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.236 -0.273 19955 5841 1 8 . 1 1 850 850 LEU H H 850 7.846 7.846 8.221 -0.375 19955 5842 1 8 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.319 0.010 19955 5843 1 8 . 1 1 852 852 PRO C C 852 176.580 176.580 175.695 0.885 19955 5844 1 8 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.078 -0.175 19955 5845 1 8 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.121 -0.356 19955 5846 1 8 . 1 1 853 853 ALA N N 853 124.102 124.102 125.185 -1.083 19955 5847 1 8 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.397 -0.157 19955 5848 1 8 . 1 1 853 853 ALA C C 853 177.767 177.767 177.771 -0.004 19955 5849 1 8 . 1 1 853 853 ALA CA C 853 52.258 52.258 51.399 0.859 19955 5850 1 8 . 1 1 853 853 ALA CB C 853 19.516 19.516 20.939 -1.423 19955 5851 1 8 . 1 1 853 853 ALA H H 853 8.354 8.354 8.187 0.167 19955 5852 1 8 . 1 1 854 854 GLU N N 854 120.540 120.540 121.235 -0.695 19955 5853 1 8 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.118 0.085 19955 5854 1 8 . 1 1 854 854 GLU C C 854 176.402 176.402 176.303 0.099 19955 5855 1 8 . 1 1 854 854 GLU CA C 854 56.380 56.380 57.289 -0.909 19955 5856 1 8 . 1 1 854 854 GLU CB C 854 30.432 30.432 28.702 1.730 19955 5857 1 8 . 1 1 854 854 GLU H H 854 8.348 8.348 8.682 -0.334 19955 5858 1 8 . 1 1 855 855 LYS N N 855 122.717 122.717 118.532 4.185 19955 5859 1 8 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.102 0.113 19955 5860 1 8 . 1 1 855 855 LYS C C 855 176.078 176.078 176.381 -0.303 19955 5861 1 8 . 1 1 855 855 LYS CA C 855 56.018 56.018 56.760 -0.742 19955 5862 1 8 . 1 1 855 855 LYS CB C 855 33.187 33.187 32.026 1.161 19955 5863 1 8 . 1 1 855 855 LYS H H 855 8.305 8.305 8.011 0.294 19955 5864 1 8 . 1 1 856 856 ALA N N 856 125.584 125.584 122.697 2.887 19955 5865 1 8 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.481 -0.240 19955 5866 1 8 . 1 1 856 856 ALA C C 856 177.276 177.276 175.714 1.562 19955 5867 1 8 . 1 1 856 856 ALA CA C 856 52.046 52.046 51.541 0.505 19955 5868 1 8 . 1 1 856 856 ALA CB C 856 19.294 19.294 20.181 -0.887 19955 5869 1 8 . 1 1 856 856 ALA H H 856 8.219 8.219 7.425 0.794 19955 5870 1 8 . 1 1 857 857 GLN N N 857 121.223 121.223 123.210 -1.987 19955 5871 1 8 . 1 1 857 857 GLN C C 857 173.964 173.964 173.543 0.421 19955 5872 1 8 . 1 1 857 857 GLN CA C 857 53.490 53.490 52.881 0.609 19955 5873 1 8 . 1 1 857 857 GLN CB C 857 29.040 29.040 29.696 -0.656 19955 5874 1 8 . 1 1 857 857 GLN H H 857 8.333 8.333 8.544 -0.211 19955 5875 1 8 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.429 -0.091 19955 5876 1 8 . 1 1 858 858 PRO C C 858 176.696 176.696 177.273 -0.577 19955 5877 1 8 . 1 1 858 858 PRO CA C 858 62.910 62.910 62.775 0.135 19955 5878 1 8 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.544 -0.469 19955 5879 1 8 . 1 1 859 859 LYS N N 859 121.891 121.891 122.086 -0.195 19955 5880 1 8 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.297 -0.107 19955 5881 1 8 . 1 1 859 859 LYS C C 859 176.382 176.382 177.227 -0.845 19955 5882 1 8 . 1 1 859 859 LYS CA C 859 56.130 56.130 57.280 -1.150 19955 5883 1 8 . 1 1 859 859 LYS CB C 859 33.070 33.070 32.530 0.540 19955 5884 1 8 . 1 1 859 859 LYS H H 859 8.355 8.355 8.523 -0.168 19955 5885 1 8 . 1 1 860 860 LYS N N 860 123.002 123.002 118.739 4.263 19955 5886 1 8 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.132 0.113 19955 5887 1 8 . 1 1 860 860 LYS C C 860 176.131 176.131 176.500 -0.369 19955 5888 1 8 . 1 1 860 860 LYS CA C 860 55.852 55.852 57.841 -1.989 19955 5889 1 8 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.647 0.501 19955 5890 1 8 . 1 1 860 860 LYS H H 860 8.267 8.267 7.959 0.308 19955 5891 1 8 . 1 1 861 861 LEU N N 861 124.576 124.576 120.971 3.605 19955 5892 1 8 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.468 -0.112 19955 5893 1 8 . 1 1 861 861 LEU C C 861 177.069 177.069 176.074 0.995 19955 5894 1 8 . 1 1 861 861 LEU CA C 861 54.795 54.795 54.346 0.448 19955 5895 1 8 . 1 1 861 861 LEU CB C 861 42.350 42.350 42.377 -0.028 19955 5896 1 8 . 1 1 861 861 LEU H H 861 8.316 8.316 7.554 0.762 19955 5897 1 8 . 1 1 862 862 THR N N 862 117.878 117.878 119.384 -1.506 19955 5898 1 8 . 1 1 862 862 THR HA H 862 4.729 4.729 4.732 -0.003 19955 5899 1 8 . 1 1 862 862 THR C C 862 172.639 172.639 173.206 -0.567 19955 5900 1 8 . 1 1 862 862 THR CA C 862 59.644 59.644 59.603 0.041 19955 5901 1 8 . 1 1 862 862 THR CB C 862 69.476 69.476 68.453 1.023 19955 5902 1 8 . 1 1 862 862 THR H H 862 8.162 8.162 8.428 -0.266 19955 5903 1 8 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.548 -0.180 19955 5904 1 8 . 1 1 863 863 PRO C C 863 176.753 176.753 175.937 0.816 19955 5905 1 8 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.882 0.310 19955 5906 1 8 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.463 -0.405 19955 5907 1 8 . 1 1 864 864 VAL N N 864 120.359 120.359 121.151 -0.792 19955 5908 1 8 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.137 -0.152 19955 5909 1 8 . 1 1 864 864 VAL C C 864 175.964 175.964 176.121 -0.157 19955 5910 1 8 . 1 1 864 864 VAL CA C 864 62.342 62.342 62.831 -0.490 19955 5911 1 8 . 1 1 864 864 VAL CB C 864 32.521 32.521 32.660 -0.139 19955 5912 1 8 . 1 1 864 864 VAL H H 864 8.102 8.102 8.236 -0.134 19955 5913 1 8 . 1 1 865 865 GLN N N 865 124.642 124.642 120.878 3.764 19955 5914 1 8 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.513 -0.227 19955 5915 1 8 . 1 1 865 865 GLN C C 865 175.443 175.443 175.155 0.288 19955 5916 1 8 . 1 1 865 865 GLN CA C 865 55.595 55.595 55.290 0.305 19955 5917 1 8 . 1 1 865 865 GLN CB C 865 29.739 29.739 29.659 0.080 19955 5918 1 8 . 1 1 865 865 GLN H H 865 8.333 8.333 7.919 0.414 19955 5919 1 8 . 1 1 866 866 VAL N N 866 123.436 123.436 119.093 4.343 19955 5920 1 8 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.296 -0.327 19955 5921 1 8 . 1 1 866 866 VAL C C 866 175.685 175.685 176.035 -0.350 19955 5922 1 8 . 1 1 866 866 VAL CA C 866 62.398 62.398 61.651 0.747 19955 5923 1 8 . 1 1 866 866 VAL CB C 866 32.832 32.832 32.512 0.320 19955 5924 1 8 . 1 1 866 866 VAL H H 866 8.189 8.189 8.501 -0.312 19955 5925 1 8 . 1 1 867 867 LEU N N 867 127.515 127.515 123.698 3.817 19955 5926 1 8 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.360 -0.098 19955 5927 1 8 . 1 1 867 867 LEU C C 867 177.037 177.037 177.360 -0.323 19955 5928 1 8 . 1 1 867 867 LEU CA C 867 55.688 55.688 55.637 0.051 19955 5929 1 8 . 1 1 867 867 LEU CB C 867 42.552 42.552 41.705 0.848 19955 5930 1 8 . 1 1 867 867 LEU H H 867 8.679 8.679 7.762 0.917 19955 5931 1 8 . 1 1 868 868 GLU N N 868 120.794 120.794 122.237 -1.443 19955 5932 1 8 . 1 1 868 868 GLU HA H 868 4.219 4.219 3.992 0.227 19955 5933 1 8 . 1 1 868 868 GLU C C 868 175.353 175.353 174.888 0.465 19955 5934 1 8 . 1 1 868 868 GLU CA C 868 55.753 55.753 57.469 -1.716 19955 5935 1 8 . 1 1 868 868 GLU CB C 868 31.419 31.419 27.762 3.657 19955 5936 1 8 . 1 1 868 868 GLU H H 868 8.272 8.272 8.992 -0.720 19955 5937 1 8 . 1 1 869 869 TYR N N 869 121.165 121.165 119.246 1.919 19955 5938 1 8 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.993 -0.293 19955 5939 1 8 . 1 1 869 869 TYR C C 869 176.824 176.824 174.084 2.740 19955 5940 1 8 . 1 1 869 869 TYR CA C 869 56.809 56.809 57.111 -0.302 19955 5941 1 8 . 1 1 869 869 TYR CB C 869 38.650 38.650 41.485 -2.835 19955 5942 1 8 . 1 1 869 869 TYR H H 869 8.003 8.003 7.425 0.578 19955 5943 1 8 . 1 1 870 870 GLY N N 870 104.958 104.958 113.718 -8.760 19955 5944 1 8 . 1 1 870 870 GLY C C 870 173.846 173.846 171.788 2.058 19955 5945 1 8 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.441 -0.223 19955 5946 1 8 . 1 1 870 870 GLY H H 870 8.590 8.590 7.598 0.992 19955 5947 1 8 . 1 1 871 871 GLU N N 871 122.341 122.341 119.551 2.790 19955 5948 1 8 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.304 -0.082 19955 5949 1 8 . 1 1 871 871 GLU C C 871 173.827 173.827 173.847 -0.020 19955 5950 1 8 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.356 1.503 19955 5951 1 8 . 1 1 871 871 GLU CB C 871 34.934 34.934 33.940 0.994 19955 5952 1 8 . 1 1 871 871 GLU H H 871 9.246 9.246 7.793 1.453 19955 5953 1 8 . 1 1 872 872 ALA N N 872 126.709 126.709 126.784 -0.075 19955 5954 1 8 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.153 -0.049 19955 5955 1 8 . 1 1 872 872 ALA C C 872 174.022 174.022 174.694 -0.672 19955 5956 1 8 . 1 1 872 872 ALA CA C 872 50.135 50.135 50.728 -0.593 19955 5957 1 8 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.720 1.778 19955 5958 1 8 . 1 1 872 872 ALA H H 872 9.266 9.266 8.962 0.304 19955 5959 1 8 . 1 1 873 873 ILE N N 873 118.554 118.554 119.717 -1.163 19955 5960 1 8 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.996 -0.382 19955 5961 1 8 . 1 1 873 873 ILE C C 873 176.132 176.132 175.160 0.972 19955 5962 1 8 . 1 1 873 873 ILE CA C 873 58.788 58.788 59.228 -0.440 19955 5963 1 8 . 1 1 873 873 ILE CB C 873 40.630 40.630 42.222 -1.592 19955 5964 1 8 . 1 1 873 873 ILE H H 873 8.522 8.522 8.409 0.113 19955 5965 1 8 . 1 1 874 874 ALA N N 874 129.739 129.739 130.927 -1.188 19955 5966 1 8 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.286 -0.249 19955 5967 1 8 . 1 1 874 874 ALA C C 874 178.259 178.259 177.477 0.782 19955 5968 1 8 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.636 0.701 19955 5969 1 8 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.154 2.124 19955 5970 1 8 . 1 1 874 874 ALA H H 874 8.608 8.608 8.325 0.283 19955 5971 1 8 . 1 1 875 875 LYS N N 875 127.308 127.308 125.326 1.982 19955 5972 1 8 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.842 0.182 19955 5973 1 8 . 1 1 875 875 LYS C C 875 174.098 174.098 176.390 -2.292 19955 5974 1 8 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.547 -1.448 19955 5975 1 8 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.586 1.398 19955 5976 1 8 . 1 1 875 875 LYS H H 875 9.298 9.298 8.337 0.961 19955 5977 1 8 . 1 1 876 876 PHE N N 876 113.423 113.423 116.898 -3.475 19955 5978 1 8 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.588 0.323 19955 5979 1 8 . 1 1 876 876 PHE C C 876 174.050 174.050 175.262 -1.212 19955 5980 1 8 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.683 -2.838 19955 5981 1 8 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.127 2.615 19955 5982 1 8 . 1 1 876 876 PHE H H 876 7.328 7.328 7.435 -0.107 19955 5983 1 8 . 1 1 877 877 ASN N N 877 116.437 116.437 121.091 -4.654 19955 5984 1 8 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.714 0.075 19955 5985 1 8 . 1 1 877 877 ASN C C 877 174.454 174.454 174.353 0.101 19955 5986 1 8 . 1 1 877 877 ASN CA C 877 53.535 53.535 53.994 -0.459 19955 5987 1 8 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.888 -0.681 19955 5988 1 8 . 1 1 877 877 ASN H H 877 8.666 8.666 8.654 0.012 19955 5989 1 8 . 1 1 878 878 PHE N N 878 123.179 123.179 127.788 -4.609 19955 5990 1 8 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.722 -0.057 19955 5991 1 8 . 1 1 878 878 PHE C C 878 173.027 173.027 172.895 0.132 19955 5992 1 8 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.407 -0.303 19955 5993 1 8 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.386 -0.300 19955 5994 1 8 . 1 1 878 878 PHE H H 878 8.433 8.433 8.981 -0.548 19955 5995 1 8 . 1 1 879 879 ASN N N 879 127.113 127.113 124.601 2.512 19955 5996 1 8 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.551 0.011 19955 5997 1 8 . 1 1 879 879 ASN C C 879 173.174 173.174 174.196 -1.022 19955 5998 1 8 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.572 -0.642 19955 5999 1 8 . 1 1 879 879 ASN CB C 879 39.387 39.387 38.984 0.403 19955 6000 1 8 . 1 1 879 879 ASN H H 879 8.000 8.000 8.033 -0.033 19955 6001 1 8 . 1 1 880 880 GLY N N 880 110.949 110.949 109.299 1.650 19955 6002 1 8 . 1 1 880 880 GLY C C 880 173.383 173.383 174.167 -0.784 19955 6003 1 8 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.559 1.099 19955 6004 1 8 . 1 1 880 880 GLY H H 880 7.997 7.997 8.115 -0.118 19955 6005 1 8 . 1 1 881 881 ASP N N 881 122.408 122.408 120.881 1.527 19955 6006 1 8 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.664 -0.031 19955 6007 1 8 . 1 1 881 881 ASP C C 881 176.286 176.286 176.119 0.167 19955 6008 1 8 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.989 0.207 19955 6009 1 8 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.444 1.696 19955 6010 1 8 . 1 1 881 881 ASP H H 881 8.796 8.796 8.415 0.381 19955 6011 1 8 . 1 1 882 882 THR N N 882 108.354 108.354 111.067 -2.713 19955 6012 1 8 . 1 1 882 882 THR HA H 882 4.583 4.583 4.585 -0.002 19955 6013 1 8 . 1 1 882 882 THR C C 882 175.948 175.948 174.303 1.645 19955 6014 1 8 . 1 1 882 882 THR CA C 882 60.352 60.352 60.205 0.147 19955 6015 1 8 . 1 1 882 882 THR CB C 882 71.649 71.649 71.375 0.274 19955 6016 1 8 . 1 1 882 882 THR H H 882 7.541 7.541 7.312 0.229 19955 6017 1 8 . 1 1 883 883 GLN N N 883 118.622 118.622 119.838 -1.216 19955 6018 1 8 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.206 -0.054 19955 6019 1 8 . 1 1 883 883 GLN C C 883 176.478 176.478 177.551 -1.073 19955 6020 1 8 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.173 0.023 19955 6021 1 8 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.450 0.219 19955 6022 1 8 . 1 1 883 883 GLN H H 883 8.710 8.710 8.646 0.064 19955 6023 1 8 . 1 1 884 884 VAL N N 884 111.473 111.473 116.537 -5.064 19955 6024 1 8 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.770 0.437 19955 6025 1 8 . 1 1 884 884 VAL C C 884 176.430 176.430 176.141 0.289 19955 6026 1 8 . 1 1 884 884 VAL CA C 884 62.293 62.293 64.570 -2.277 19955 6027 1 8 . 1 1 884 884 VAL CB C 884 31.924 31.924 32.054 -0.130 19955 6028 1 8 . 1 1 884 884 VAL H H 884 7.260 7.260 7.928 -0.668 19955 6029 1 8 . 1 1 885 885 GLU N N 885 121.794 121.794 118.201 3.593 19955 6030 1 8 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.616 0.292 19955 6031 1 8 . 1 1 885 885 GLU C C 885 175.369 175.369 175.611 -0.242 19955 6032 1 8 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.233 0.077 19955 6033 1 8 . 1 1 885 885 GLU CB C 885 31.789 31.789 29.948 1.841 19955 6034 1 8 . 1 1 885 885 GLU H H 885 7.455 7.455 7.725 -0.270 19955 6035 1 8 . 1 1 886 886 MET N N 886 125.473 125.473 125.351 0.122 19955 6036 1 8 . 1 1 886 886 MET HA H 886 4.534 4.534 4.618 -0.084 19955 6037 1 8 . 1 1 886 886 MET C C 886 172.841 172.841 175.425 -2.584 19955 6038 1 8 . 1 1 886 886 MET CA C 886 54.129 54.129 55.641 -1.512 19955 6039 1 8 . 1 1 886 886 MET CB C 886 35.157 35.157 33.755 1.402 19955 6040 1 8 . 1 1 886 886 MET H H 886 8.996 8.996 8.631 0.365 19955 6041 1 8 . 1 1 887 887 SER N N 887 118.425 118.425 119.940 -1.515 19955 6042 1 8 . 1 1 887 887 SER HA H 887 4.402 4.402 4.411 -0.009 19955 6043 1 8 . 1 1 887 887 SER C C 887 174.667 174.667 173.534 1.133 19955 6044 1 8 . 1 1 887 887 SER CA C 887 58.612 58.612 57.869 0.743 19955 6045 1 8 . 1 1 887 887 SER CB C 887 64.186 64.186 64.161 0.025 19955 6046 1 8 . 1 1 887 887 SER H H 887 7.888 7.888 8.303 -0.415 19955 6047 1 8 . 1 1 888 888 PHE N N 888 116.363 116.363 117.084 -0.721 19955 6048 1 8 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.929 -0.415 19955 6049 1 8 . 1 1 888 888 PHE C C 888 174.756 174.756 173.529 1.227 19955 6050 1 8 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.723 -0.187 19955 6051 1 8 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.947 -1.145 19955 6052 1 8 . 1 1 888 888 PHE H H 888 8.780 8.780 8.732 0.048 19955 6053 1 8 . 1 1 889 889 ARG N N 889 121.944 121.944 119.750 2.194 19955 6054 1 8 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.894 0.078 19955 6055 1 8 . 1 1 889 889 ARG C C 889 175.318 175.318 176.413 -1.095 19955 6056 1 8 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.161 -0.863 19955 6057 1 8 . 1 1 889 889 ARG CB C 889 32.886 32.886 32.674 0.212 19955 6058 1 8 . 1 1 889 889 ARG H H 889 10.187 10.187 8.707 1.480 19955 6059 1 8 . 1 1 890 890 LYS N N 890 119.991 119.991 121.372 -1.381 19955 6060 1 8 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.909 -0.661 19955 6061 1 8 . 1 1 890 890 LYS C C 890 176.504 176.504 177.952 -1.448 19955 6062 1 8 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.366 0.030 19955 6063 1 8 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.220 0.609 19955 6064 1 8 . 1 1 890 890 LYS H H 890 8.360 8.360 8.427 -0.067 19955 6065 1 8 . 1 1 891 891 GLY N N 891 113.950 113.950 115.093 -1.143 19955 6066 1 8 . 1 1 891 891 GLY C C 891 174.298 174.298 174.385 -0.087 19955 6067 1 8 . 1 1 891 891 GLY CA C 891 44.668 44.668 44.855 -0.187 19955 6068 1 8 . 1 1 891 891 GLY H H 891 8.673 8.673 8.725 -0.052 19955 6069 1 8 . 1 1 892 892 GLU N N 892 119.511 119.511 121.656 -2.145 19955 6070 1 8 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.333 -0.217 19955 6071 1 8 . 1 1 892 892 GLU C C 892 174.618 174.618 176.063 -1.445 19955 6072 1 8 . 1 1 892 892 GLU CA C 892 59.515 59.515 56.292 3.223 19955 6073 1 8 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.558 0.023 19955 6074 1 8 . 1 1 892 892 GLU H H 892 7.856 7.856 7.896 -0.040 19955 6075 1 8 . 1 1 893 893 ARG N N 893 122.979 122.979 121.092 1.887 19955 6076 1 8 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.773 -0.176 19955 6077 1 8 . 1 1 893 893 ARG C C 893 174.836 174.836 175.974 -1.138 19955 6078 1 8 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.202 -0.674 19955 6079 1 8 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.588 -0.548 19955 6080 1 8 . 1 1 893 893 ARG H H 893 8.120 8.120 8.504 -0.384 19955 6081 1 8 . 1 1 894 894 ILE N N 894 122.659 122.659 123.345 -0.686 19955 6082 1 8 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.522 -0.459 19955 6083 1 8 . 1 1 894 894 ILE C C 894 175.789 175.789 174.811 0.978 19955 6084 1 8 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.239 0.027 19955 6085 1 8 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.102 1.325 19955 6086 1 8 . 1 1 894 894 ILE H H 894 8.586 8.586 9.158 -0.572 19955 6087 1 8 . 1 1 895 895 THR N N 895 124.709 124.709 121.768 2.941 19955 6088 1 8 . 1 1 895 895 THR HA H 895 4.441 4.441 4.791 -0.350 19955 6089 1 8 . 1 1 895 895 THR C C 895 174.124 174.124 174.273 -0.149 19955 6090 1 8 . 1 1 895 895 THR CA C 895 62.837 62.837 61.547 1.290 19955 6091 1 8 . 1 1 895 895 THR CB C 895 69.246 69.246 69.590 -0.344 19955 6092 1 8 . 1 1 895 895 THR H H 895 9.078 9.078 8.908 0.170 19955 6093 1 8 . 1 1 896 896 LEU N N 896 122.648 122.648 128.193 -5.545 19955 6094 1 8 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.378 0.011 19955 6095 1 8 . 1 1 896 896 LEU C C 896 174.836 174.836 176.522 -1.686 19955 6096 1 8 . 1 1 896 896 LEU H H 896 8.583 8.583 8.206 0.377 19955 6097 1 8 . 1 1 897 897 LEU N N 897 124.502 124.502 124.820 -0.318 19955 6098 1 8 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.743 -0.411 19955 6099 1 8 . 1 1 897 897 LEU C C 897 176.645 176.645 177.700 -1.055 19955 6100 1 8 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.641 0.585 19955 6101 1 8 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.449 -1.118 19955 6102 1 8 . 1 1 897 897 LEU H H 897 8.984 8.984 8.342 0.642 19955 6103 1 8 . 1 1 898 898 ARG N N 898 108.422 108.422 116.629 -8.207 19955 6104 1 8 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.546 -0.104 19955 6105 1 8 . 1 1 898 898 ARG C C 898 173.645 173.645 173.940 -0.295 19955 6106 1 8 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.240 0.001 19955 6107 1 8 . 1 1 898 898 ARG CB C 898 31.609 31.609 33.960 -2.351 19955 6108 1 8 . 1 1 898 898 ARG H H 898 7.413 7.413 7.575 -0.162 19955 6109 1 8 . 1 1 899 899 GLN N N 899 124.503 124.503 122.922 1.581 19955 6110 1 8 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.600 -0.408 19955 6111 1 8 . 1 1 899 899 GLN C C 899 175.142 175.142 175.744 -0.602 19955 6112 1 8 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.168 1.128 19955 6113 1 8 . 1 1 899 899 GLN CB C 899 28.489 28.489 30.012 -1.523 19955 6114 1 8 . 1 1 899 899 GLN H H 899 9.301 9.301 8.773 0.528 19955 6115 1 8 . 1 1 900 900 VAL N N 900 129.109 129.109 125.887 3.222 19955 6116 1 8 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.770 -0.104 19955 6117 1 8 . 1 1 900 900 VAL C C 900 175.298 175.298 176.634 -1.336 19955 6118 1 8 . 1 1 900 900 VAL CA C 900 64.773 64.773 65.068 -0.295 19955 6119 1 8 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.176 0.645 19955 6120 1 8 . 1 1 900 900 VAL H H 900 8.475 8.475 8.536 -0.061 19955 6121 1 8 . 1 1 901 901 ASP N N 901 118.573 118.573 116.356 2.217 19955 6122 1 8 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.765 -0.369 19955 6123 1 8 . 1 1 901 901 ASP C C 901 175.386 175.386 176.038 -0.652 19955 6124 1 8 . 1 1 901 901 ASP CA C 901 53.300 53.300 54.397 -1.097 19955 6125 1 8 . 1 1 901 901 ASP CB C 901 40.163 40.163 40.998 -0.835 19955 6126 1 8 . 1 1 901 901 ASP H H 901 8.038 8.038 7.849 0.189 19955 6127 1 8 . 1 1 902 902 GLU N N 902 114.492 114.492 118.678 -4.186 19955 6128 1 8 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.504 -0.672 19955 6129 1 8 . 1 1 902 902 GLU C C 902 175.973 175.973 176.548 -0.575 19955 6130 1 8 . 1 1 902 902 GLU CA C 902 59.095 59.095 57.147 1.948 19955 6131 1 8 . 1 1 902 902 GLU CB C 902 29.507 29.507 31.691 -2.184 19955 6132 1 8 . 1 1 902 902 GLU H H 902 8.784 8.784 8.597 0.187 19955 6133 1 8 . 1 1 903 903 ASN N N 903 113.835 113.835 117.122 -3.287 19955 6134 1 8 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.841 0.023 19955 6135 1 8 . 1 1 903 903 ASN C C 903 175.238 175.238 173.711 1.527 19955 6136 1 8 . 1 1 903 903 ASN CA C 903 53.800 53.800 53.429 0.371 19955 6137 1 8 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.916 2.294 19955 6138 1 8 . 1 1 903 903 ASN H H 903 8.763 8.763 7.980 0.783 19955 6139 1 8 . 1 1 904 904 TRP N N 904 121.517 121.517 119.947 1.570 19955 6140 1 8 . 1 1 904 904 TRP HA H 904 4.950 4.950 4.989 -0.039 19955 6141 1 8 . 1 1 904 904 TRP C C 904 175.223 175.223 174.547 0.676 19955 6142 1 8 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.896 0.283 19955 6143 1 8 . 1 1 904 904 TRP CB C 904 31.286 31.286 33.023 -1.736 19955 6144 1 8 . 1 1 904 904 TRP H H 904 8.141 8.141 8.687 -0.546 19955 6145 1 8 . 1 1 905 905 TYR N N 905 121.365 121.365 116.710 4.655 19955 6146 1 8 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.074 -0.158 19955 6147 1 8 . 1 1 905 905 TYR C C 905 173.702 173.702 172.606 1.096 19955 6148 1 8 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.571 -0.111 19955 6149 1 8 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.522 1.879 19955 6150 1 8 . 1 1 905 905 TYR H H 905 8.550 8.550 8.560 -0.010 19955 6151 1 8 . 1 1 906 906 GLU N N 906 117.356 117.356 119.882 -2.526 19955 6152 1 8 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.645 0.240 19955 6153 1 8 . 1 1 906 906 GLU C C 906 176.159 176.159 174.903 1.256 19955 6154 1 8 . 1 1 906 906 GLU CA C 906 54.795 54.795 53.843 0.952 19955 6155 1 8 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.383 -0.793 19955 6156 1 8 . 1 1 906 906 GLU H H 906 8.707 8.707 8.560 0.147 19955 6157 1 8 . 1 1 907 907 GLY N N 907 114.506 114.506 109.105 5.401 19955 6158 1 8 . 1 1 907 907 GLY C C 907 169.408 169.408 171.902 -2.494 19955 6159 1 8 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.017 0.717 19955 6160 1 8 . 1 1 907 907 GLY H H 907 9.334 9.334 8.572 0.762 19955 6161 1 8 . 1 1 908 908 ARG N N 908 114.660 114.660 116.269 -1.609 19955 6162 1 8 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.183 0.194 19955 6163 1 8 . 1 1 908 908 ARG C C 908 173.981 173.981 174.960 -0.979 19955 6164 1 8 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.397 -0.120 19955 6165 1 8 . 1 1 908 908 ARG CB C 908 34.589 34.589 33.952 0.637 19955 6166 1 8 . 1 1 908 908 ARG H H 908 8.694 8.694 8.464 0.230 19955 6167 1 8 . 1 1 909 909 ILE N N 909 124.579 124.579 121.796 2.783 19955 6168 1 8 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.397 0.522 19955 6169 1 8 . 1 1 909 909 ILE C C 909 175.024 175.024 176.695 -1.671 19955 6170 1 8 . 1 1 909 909 ILE CA C 909 56.699 56.699 58.402 -1.703 19955 6171 1 8 . 1 1 909 909 ILE CB C 909 35.387 35.387 36.810 -1.423 19955 6172 1 8 . 1 1 909 909 ILE H H 909 7.757 7.757 8.244 -0.487 19955 6173 1 8 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.403 0.226 19955 6174 1 8 . 1 1 910 910 PRO C C 910 176.353 176.353 177.749 -1.396 19955 6175 1 8 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.694 -11.896 19955 6176 1 8 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.601 -1.193 19955 6177 1 8 . 1 1 911 911 GLY N N 911 118.118 118.118 105.558 12.560 19955 6178 1 8 . 1 1 911 911 GLY C C 911 173.987 173.987 174.412 -0.425 19955 6179 1 8 . 1 1 911 911 GLY CA C 911 45.332 45.332 44.618 0.714 19955 6180 1 8 . 1 1 911 911 GLY H H 911 7.869 7.869 8.006 -0.137 19955 6181 1 8 . 1 1 912 912 THR N N 912 109.041 109.041 111.932 -2.891 19955 6182 1 8 . 1 1 912 912 THR HA H 912 4.469 4.469 3.948 0.521 19955 6183 1 8 . 1 1 912 912 THR C C 912 174.144 174.144 174.011 0.133 19955 6184 1 8 . 1 1 912 912 THR CA C 912 60.194 60.194 63.440 -3.246 19955 6185 1 8 . 1 1 912 912 THR CB C 912 72.812 72.812 67.055 5.757 19955 6186 1 8 . 1 1 912 912 THR H H 912 7.743 7.743 7.986 -0.243 19955 6187 1 8 . 1 1 913 913 SER N N 913 126.292 126.292 116.292 10.000 19955 6188 1 8 . 1 1 913 913 SER HA H 913 4.671 4.671 4.540 0.131 19955 6189 1 8 . 1 1 913 913 SER C C 913 174.781 174.781 174.047 0.734 19955 6190 1 8 . 1 1 913 913 SER CA C 913 57.411 57.411 58.971 -1.560 19955 6191 1 8 . 1 1 913 913 SER CB C 913 63.258 63.258 65.472 -2.214 19955 6192 1 8 . 1 1 913 913 SER H H 913 7.896 7.896 8.652 -0.756 19955 6193 1 8 . 1 1 914 914 ARG N N 914 124.284 124.284 120.521 3.763 19955 6194 1 8 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.715 -0.462 19955 6195 1 8 . 1 1 914 914 ARG C C 914 174.712 174.712 173.783 0.929 19955 6196 1 8 . 1 1 914 914 ARG CA C 914 56.960 56.960 55.687 1.274 19955 6197 1 8 . 1 1 914 914 ARG CB C 914 30.694 30.694 33.899 -3.205 19955 6198 1 8 . 1 1 914 914 ARG H H 914 8.631 8.631 7.691 0.940 19955 6199 1 8 . 1 1 915 915 GLN N N 915 124.297 124.297 121.128 3.169 19955 6200 1 8 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.264 0.117 19955 6201 1 8 . 1 1 915 915 GLN C C 915 174.377 174.377 173.982 0.395 19955 6202 1 8 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.855 0.711 19955 6203 1 8 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.738 -1.732 19955 6204 1 8 . 1 1 915 915 GLN H H 915 8.054 8.054 8.633 -0.579 19955 6205 1 8 . 1 1 916 916 GLY N N 916 112.028 112.028 109.839 2.189 19955 6206 1 8 . 1 1 916 916 GLY C C 916 172.185 172.185 171.155 1.030 19955 6207 1 8 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.509 -0.262 19955 6208 1 8 . 1 1 916 916 GLY H H 916 8.818 8.818 8.677 0.141 19955 6209 1 8 . 1 1 917 917 ILE N N 917 113.634 113.634 115.525 -1.891 19955 6210 1 8 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.319 1.709 19955 6211 1 8 . 1 1 917 917 ILE C C 917 176.584 176.584 173.356 3.228 19955 6212 1 8 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.303 1.676 19955 6213 1 8 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.325 0.900 19955 6214 1 8 . 1 1 917 917 ILE H H 917 8.714 8.714 7.443 1.271 19955 6215 1 8 . 1 1 918 918 PHE N N 918 115.806 115.806 118.067 -2.261 19955 6216 1 8 . 1 1 918 918 PHE C C 918 170.959 170.959 172.861 -1.902 19955 6217 1 8 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.154 0.465 19955 6218 1 8 . 1 1 918 918 PHE CB C 918 38.622 38.622 40.154 -1.532 19955 6219 1 8 . 1 1 918 918 PHE H H 918 8.573 8.573 7.722 0.851 19955 6220 1 8 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.427 -0.327 19955 6221 1 8 . 1 1 919 919 PRO C C 919 178.655 178.655 177.607 1.048 19955 6222 1 8 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.936 -0.938 19955 6223 1 8 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.800 -0.590 19955 6224 1 8 . 1 1 920 920 ILE N N 920 123.677 123.677 123.667 0.010 19955 6225 1 8 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.813 -0.122 19955 6226 1 8 . 1 1 920 920 ILE C C 920 176.798 176.798 177.721 -0.923 19955 6227 1 8 . 1 1 920 920 ILE CA C 920 63.373 63.373 65.183 -1.810 19955 6228 1 8 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.563 1.288 19955 6229 1 8 . 1 1 920 920 ILE H H 920 7.949 7.949 7.884 0.065 19955 6230 1 8 . 1 1 921 921 THR N N 921 106.993 106.993 113.949 -6.956 19955 6231 1 8 . 1 1 921 921 THR HA H 921 4.294 4.294 4.077 0.217 19955 6232 1 8 . 1 1 921 921 THR C C 921 175.639 175.639 176.022 -0.383 19955 6233 1 8 . 1 1 921 921 THR CA C 921 62.983 62.983 65.507 -2.524 19955 6234 1 8 . 1 1 921 921 THR CB C 921 69.104 69.104 68.347 0.757 19955 6235 1 8 . 1 1 921 921 THR H H 921 7.500 7.500 8.495 -0.995 19955 6236 1 8 . 1 1 922 922 TYR N N 922 118.600 118.600 120.770 -2.170 19955 6237 1 8 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.957 -0.317 19955 6238 1 8 . 1 1 922 922 TYR C C 922 175.481 175.481 175.068 0.413 19955 6239 1 8 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.536 1.912 19955 6240 1 8 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.600 -0.000 19955 6241 1 8 . 1 1 922 922 TYR H H 922 7.836 7.836 7.778 0.058 19955 6242 1 8 . 1 1 923 923 VAL N N 923 109.058 109.058 112.612 -3.554 19955 6243 1 8 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.858 0.101 19955 6244 1 8 . 1 1 923 923 VAL C C 923 172.905 172.905 174.164 -1.259 19955 6245 1 8 . 1 1 923 923 VAL CA C 923 58.490 58.490 59.010 -0.520 19955 6246 1 8 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.260 0.027 19955 6247 1 8 . 1 1 923 923 VAL H H 923 7.701 7.701 7.941 -0.240 19955 6248 1 8 . 1 1 924 924 ASP N N 924 120.115 120.115 122.131 -2.016 19955 6249 1 8 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.821 0.113 19955 6250 1 8 . 1 1 924 924 ASP C C 924 175.863 175.863 175.013 0.850 19955 6251 1 8 . 1 1 924 924 ASP CA C 924 52.934 52.934 51.964 0.970 19955 6252 1 8 . 1 1 924 924 ASP CB C 924 42.263 42.263 42.831 -0.568 19955 6253 1 8 . 1 1 924 924 ASP H H 924 8.658 8.658 8.516 0.142 19955 6254 1 8 . 1 1 925 925 VAL N N 925 125.090 125.090 125.421 -0.331 19955 6255 1 8 . 1 1 925 925 VAL HA H 925 3.679 3.679 3.905 -0.226 19955 6256 1 8 . 1 1 925 925 VAL C C 925 175.620 175.620 175.479 0.141 19955 6257 1 8 . 1 1 925 925 VAL CA C 925 64.215 64.215 62.824 1.391 19955 6258 1 8 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.849 -0.128 19955 6259 1 8 . 1 1 925 925 VAL H H 925 8.911 8.911 8.598 0.313 19955 6260 1 8 . 1 1 926 926 ILE N N 926 129.390 129.390 128.641 0.749 19955 6261 1 8 . 1 1 926 926 ILE HA H 926 4.037 4.037 4.090 -0.053 19955 6262 1 8 . 1 1 926 926 ILE C C 926 175.683 175.683 175.696 -0.013 19955 6263 1 8 . 1 1 926 926 ILE CA C 926 61.578 61.578 62.031 -0.453 19955 6264 1 8 . 1 1 926 926 ILE CB C 926 38.547 38.547 39.018 -0.471 19955 6265 1 8 . 1 1 926 926 ILE H H 926 8.519 8.519 8.366 0.153 19955 6266 1 8 . 1 1 927 927 LYS N N 927 122.060 122.060 120.566 1.494 19955 6267 1 8 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.495 0.117 19955 6268 1 8 . 1 1 927 927 LYS C C 927 175.204 175.204 175.199 0.005 19955 6269 1 8 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.137 0.460 19955 6270 1 8 . 1 1 927 927 LYS CB C 927 35.633 35.633 34.196 1.437 19955 6271 1 8 . 1 1 927 927 LYS H H 927 8.017 8.017 7.449 0.568 19955 6272 1 8 . 1 1 928 928 ARG N N 928 126.441 126.441 126.746 -0.305 19955 6273 1 8 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.334 0.093 19955 6274 1 8 . 1 1 928 928 ARG C C 928 173.959 173.959 175.518 -1.559 19955 6275 1 8 . 1 1 928 928 ARG CA C 928 55.488 55.488 55.190 0.298 19955 6276 1 8 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.541 0.172 19955 6277 1 8 . 1 1 928 928 ARG H H 928 8.729 8.729 8.744 -0.015 19955 6278 1 8 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.599 -0.086 19955 6279 1 8 . 1 1 929 929 PRO CA C 929 62.718 62.718 64.085 -1.367 19955 6280 1 8 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.205 -0.589 19955 6281 1 9 . 1 1 790 790 MET HA H 790 4.396 4.396 4.229 0.167 19955 6282 1 9 . 1 1 790 790 MET CA C 790 55.378 55.378 56.564 -1.186 19955 6283 1 9 . 1 1 790 790 MET CB C 790 32.960 32.960 33.229 -0.269 19955 6284 1 9 . 1 1 791 791 SER N N 791 118.373 118.373 114.865 3.508 19955 6285 1 9 . 1 1 791 791 SER HA H 791 4.362 4.362 4.614 -0.252 19955 6286 1 9 . 1 1 791 791 SER C C 791 175.043 175.043 175.510 -0.467 19955 6287 1 9 . 1 1 791 791 SER CA C 791 58.532 58.532 56.669 1.863 19955 6288 1 9 . 1 1 791 791 SER CB C 791 63.749 63.749 65.189 -1.440 19955 6289 1 9 . 1 1 791 791 SER H H 791 8.657 8.657 8.478 0.179 19955 6290 1 9 . 1 1 792 792 GLY N N 792 111.254 111.254 111.550 -0.296 19955 6291 1 9 . 1 1 792 792 GLY C C 792 174.362 174.362 174.675 -0.313 19955 6292 1 9 . 1 1 792 792 GLY CA C 792 45.539 45.539 45.888 -0.349 19955 6293 1 9 . 1 1 792 792 GLY H H 792 8.560 8.560 8.519 0.041 19955 6294 1 9 . 1 1 793 793 SER N N 793 115.369 115.369 115.560 -0.191 19955 6295 1 9 . 1 1 793 793 SER HA H 793 4.409 4.409 4.647 -0.238 19955 6296 1 9 . 1 1 793 793 SER C C 793 174.396 174.396 173.227 1.169 19955 6297 1 9 . 1 1 793 793 SER CA C 793 58.485 58.485 57.837 0.649 19955 6298 1 9 . 1 1 793 793 SER CB C 793 63.845 63.845 63.955 -0.110 19955 6299 1 9 . 1 1 793 793 SER H H 793 8.102 8.102 7.790 0.312 19955 6300 1 9 . 1 1 794 794 GLU N N 794 122.660 122.660 125.777 -3.117 19955 6301 1 9 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.706 -0.496 19955 6302 1 9 . 1 1 794 794 GLU C C 794 175.970 175.970 174.958 1.012 19955 6303 1 9 . 1 1 794 794 GLU CA C 794 56.849 56.849 55.883 0.966 19955 6304 1 9 . 1 1 794 794 GLU CB C 794 30.261 30.261 32.628 -2.367 19955 6305 1 9 . 1 1 794 794 GLU H H 794 8.565 8.565 8.666 -0.101 19955 6306 1 9 . 1 1 795 795 MET N N 795 119.544 119.544 117.897 1.647 19955 6307 1 9 . 1 1 795 795 MET HA H 795 4.653 4.653 5.248 -0.595 19955 6308 1 9 . 1 1 795 795 MET C C 795 175.590 175.590 174.999 0.591 19955 6309 1 9 . 1 1 795 795 MET CA C 795 55.135 55.135 54.852 0.283 19955 6310 1 9 . 1 1 795 795 MET CB C 795 32.378 32.378 36.460 -4.082 19955 6311 1 9 . 1 1 795 795 MET H H 795 8.156 8.156 8.502 -0.346 19955 6312 1 9 . 1 1 796 796 ARG N N 796 122.177 122.177 120.286 1.891 19955 6313 1 9 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.898 0.013 19955 6314 1 9 . 1 1 796 796 ARG C C 796 173.378 173.378 173.925 -0.547 19955 6315 1 9 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.681 -0.746 19955 6316 1 9 . 1 1 796 796 ARG CB C 796 32.172 32.172 31.342 0.830 19955 6317 1 9 . 1 1 796 796 ARG H H 796 8.358 8.358 8.524 -0.166 19955 6318 1 9 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.169 0.527 19955 6319 1 9 . 1 1 797 797 PRO C C 797 175.805 175.805 175.544 0.261 19955 6320 1 9 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.967 -0.810 19955 6321 1 9 . 1 1 797 797 PRO CB C 797 32.377 32.377 32.023 0.354 19955 6322 1 9 . 1 1 798 798 ALA N N 798 123.383 123.383 124.397 -1.014 19955 6323 1 9 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.845 -0.146 19955 6324 1 9 . 1 1 798 798 ALA C C 798 173.534 173.534 174.944 -1.410 19955 6325 1 9 . 1 1 798 798 ALA CA C 798 50.823 50.823 50.324 0.499 19955 6326 1 9 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.480 0.243 19955 6327 1 9 . 1 1 798 798 ALA H H 798 8.820 8.820 8.578 0.242 19955 6328 1 9 . 1 1 799 799 ARG N N 799 118.968 118.968 120.808 -1.840 19955 6329 1 9 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.838 0.503 19955 6330 1 9 . 1 1 799 799 ARG C C 799 176.215 176.215 174.717 1.498 19955 6331 1 9 . 1 1 799 799 ARG CA C 799 53.122 53.122 53.911 -0.789 19955 6332 1 9 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.950 0.489 19955 6333 1 9 . 1 1 799 799 ARG H H 799 8.803 8.803 8.013 0.790 19955 6334 1 9 . 1 1 800 800 ALA N N 800 128.073 128.073 128.439 -0.366 19955 6335 1 9 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.071 0.466 19955 6336 1 9 . 1 1 800 800 ALA C C 800 178.146 178.146 177.340 0.806 19955 6337 1 9 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.366 0.842 19955 6338 1 9 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.963 -1.309 19955 6339 1 9 . 1 1 800 800 ALA H H 800 9.037 9.037 8.790 0.247 19955 6340 1 9 . 1 1 801 801 LYS N N 801 127.334 127.334 123.883 3.451 19955 6341 1 9 . 1 1 801 801 LYS HA H 801 3.758 3.758 4.371 -0.613 19955 6342 1 9 . 1 1 801 801 LYS C C 801 174.213 174.213 175.927 -1.714 19955 6343 1 9 . 1 1 801 801 LYS CA C 801 57.344 57.344 56.668 0.676 19955 6344 1 9 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.890 -0.243 19955 6345 1 9 . 1 1 801 801 LYS H H 801 9.291 9.291 9.047 0.244 19955 6346 1 9 . 1 1 802 802 PHE N N 802 111.696 111.696 117.375 -5.679 19955 6347 1 9 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.742 -0.001 19955 6348 1 9 . 1 1 802 802 PHE C C 802 173.408 173.408 174.418 -1.010 19955 6349 1 9 . 1 1 802 802 PHE CA C 802 53.369 53.369 57.004 -3.635 19955 6350 1 9 . 1 1 802 802 PHE CB C 802 43.242 43.242 43.465 -0.223 19955 6351 1 9 . 1 1 802 802 PHE H H 802 7.069 7.069 7.828 -0.759 19955 6352 1 9 . 1 1 803 803 ASP N N 803 117.498 117.498 121.110 -3.612 19955 6353 1 9 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.902 -0.378 19955 6354 1 9 . 1 1 803 803 ASP C C 803 175.782 175.782 175.135 0.647 19955 6355 1 9 . 1 1 803 803 ASP CA C 803 54.726 54.726 54.075 0.651 19955 6356 1 9 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.635 -0.481 19955 6357 1 9 . 1 1 803 803 ASP H H 803 8.339 8.339 8.628 -0.289 19955 6358 1 9 . 1 1 804 804 PHE N N 804 123.264 123.264 127.558 -4.294 19955 6359 1 9 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.752 0.240 19955 6360 1 9 . 1 1 804 804 PHE C C 804 173.750 173.750 173.733 0.017 19955 6361 1 9 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.407 -0.186 19955 6362 1 9 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.007 0.125 19955 6363 1 9 . 1 1 804 804 PHE H H 804 9.223 9.223 8.885 0.338 19955 6364 1 9 . 1 1 805 805 LYS N N 805 129.548 129.548 128.290 1.258 19955 6365 1 9 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.162 -0.041 19955 6366 1 9 . 1 1 805 805 LYS C C 805 174.042 174.042 174.453 -0.411 19955 6367 1 9 . 1 1 805 805 LYS CA C 805 54.368 54.368 55.397 -1.029 19955 6368 1 9 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.594 -1.813 19955 6369 1 9 . 1 1 805 805 LYS H H 805 8.125 8.125 8.186 -0.061 19955 6370 1 9 . 1 1 806 806 ALA N N 806 127.231 127.231 126.051 1.180 19955 6371 1 9 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.050 -0.168 19955 6372 1 9 . 1 1 806 806 ALA C C 806 178.066 178.066 177.360 0.706 19955 6373 1 9 . 1 1 806 806 ALA CA C 806 51.598 51.598 51.940 -0.341 19955 6374 1 9 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.070 1.435 19955 6375 1 9 . 1 1 806 806 ALA H H 806 7.291 7.291 8.170 -0.879 19955 6376 1 9 . 1 1 807 807 GLN N N 807 121.482 121.482 122.204 -0.722 19955 6377 1 9 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.392 -0.066 19955 6378 1 9 . 1 1 807 807 GLN C C 807 175.927 175.927 176.395 -0.468 19955 6379 1 9 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.451 -0.245 19955 6380 1 9 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.605 1.337 19955 6381 1 9 . 1 1 807 807 GLN H H 807 9.375 9.375 8.938 0.437 19955 6382 1 9 . 1 1 808 808 THR N N 808 108.842 108.842 110.186 -1.344 19955 6383 1 9 . 1 1 808 808 THR HA H 808 4.661 4.661 4.591 0.070 19955 6384 1 9 . 1 1 808 808 THR C C 808 175.262 175.262 175.664 -0.402 19955 6385 1 9 . 1 1 808 808 THR CA C 808 59.313 59.313 59.982 -0.669 19955 6386 1 9 . 1 1 808 808 THR CB C 808 71.810 71.810 71.587 0.223 19955 6387 1 9 . 1 1 808 808 THR H H 808 7.472 7.472 7.664 -0.192 19955 6388 1 9 . 1 1 809 809 LEU N N 809 119.518 119.518 121.480 -1.962 19955 6389 1 9 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.065 0.135 19955 6390 1 9 . 1 1 809 809 LEU C C 809 177.895 177.895 177.446 0.449 19955 6391 1 9 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.774 -0.687 19955 6392 1 9 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.728 0.173 19955 6393 1 9 . 1 1 809 809 LEU H H 809 8.387 8.387 8.576 -0.189 19955 6394 1 9 . 1 1 810 810 LYS N N 810 115.587 115.587 115.456 0.131 19955 6395 1 9 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.096 0.134 19955 6396 1 9 . 1 1 810 810 LYS C C 810 177.172 177.172 176.259 0.913 19955 6397 1 9 . 1 1 810 810 LYS CA C 810 56.807 56.807 57.328 -0.521 19955 6398 1 9 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.285 0.774 19955 6399 1 9 . 1 1 810 810 LYS H H 810 7.707 7.707 8.213 -0.506 19955 6400 1 9 . 1 1 811 811 GLU N N 811 119.522 119.522 117.395 2.127 19955 6401 1 9 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.725 -0.026 19955 6402 1 9 . 1 1 811 811 GLU C C 811 174.240 174.240 175.057 -0.817 19955 6403 1 9 . 1 1 811 811 GLU CA C 811 55.419 55.419 55.229 0.190 19955 6404 1 9 . 1 1 811 811 GLU CB C 811 32.354 32.354 32.421 -0.067 19955 6405 1 9 . 1 1 811 811 GLU H H 811 7.244 7.244 7.592 -0.348 19955 6406 1 9 . 1 1 812 812 LEU N N 812 126.910 126.910 119.672 7.238 19955 6407 1 9 . 1 1 812 812 LEU C C 812 172.269 172.269 174.437 -2.168 19955 6408 1 9 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.043 -0.532 19955 6409 1 9 . 1 1 812 812 LEU CB C 812 45.092 45.092 42.536 2.556 19955 6410 1 9 . 1 1 812 812 LEU H H 812 9.168 9.168 8.466 0.702 19955 6411 1 9 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.784 -0.347 19955 6412 1 9 . 1 1 813 813 PRO C C 813 176.755 176.755 175.404 1.351 19955 6413 1 9 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.612 -0.066 19955 6414 1 9 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.773 -0.798 19955 6415 1 9 . 1 1 814 814 LEU N N 814 118.726 118.726 121.679 -2.953 19955 6416 1 9 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.764 -0.118 19955 6417 1 9 . 1 1 814 814 LEU C C 814 176.452 176.452 175.421 1.031 19955 6418 1 9 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.823 -0.432 19955 6419 1 9 . 1 1 814 814 LEU CB C 814 46.896 46.896 47.060 -0.164 19955 6420 1 9 . 1 1 814 814 LEU H H 814 8.532 8.532 8.843 -0.311 19955 6421 1 9 . 1 1 815 815 GLN N N 815 123.473 123.473 121.541 1.932 19955 6422 1 9 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.988 -0.237 19955 6423 1 9 . 1 1 815 815 GLN C C 815 174.820 174.820 175.012 -0.192 19955 6424 1 9 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.281 0.055 19955 6425 1 9 . 1 1 815 815 GLN CB C 815 31.094 31.094 32.609 -1.515 19955 6426 1 9 . 1 1 815 815 GLN H H 815 8.938 8.938 8.496 0.442 19955 6427 1 9 . 1 1 816 816 LYS N N 816 122.982 122.982 126.991 -4.009 19955 6428 1 9 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.872 -0.757 19955 6429 1 9 . 1 1 816 816 LYS C C 816 177.030 177.030 176.552 0.478 19955 6430 1 9 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.118 0.558 19955 6431 1 9 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.133 1.109 19955 6432 1 9 . 1 1 816 816 LYS H H 816 8.888 8.888 9.008 -0.120 19955 6433 1 9 . 1 1 817 817 GLY N N 817 115.370 115.370 114.248 1.122 19955 6434 1 9 . 1 1 817 817 GLY C C 817 174.271 174.271 174.495 -0.224 19955 6435 1 9 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.655 0.006 19955 6436 1 9 . 1 1 817 817 GLY H H 817 8.870 8.870 8.985 -0.115 19955 6437 1 9 . 1 1 818 818 ASP N N 818 123.102 123.102 121.902 1.200 19955 6438 1 9 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.397 -0.068 19955 6439 1 9 . 1 1 818 818 ASP C C 818 175.076 175.076 175.526 -0.450 19955 6440 1 9 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.757 0.838 19955 6441 1 9 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.578 -0.040 19955 6442 1 9 . 1 1 818 818 ASP H H 818 8.468 8.468 8.320 0.148 19955 6443 1 9 . 1 1 819 819 ILE N N 819 121.053 121.053 124.493 -3.440 19955 6444 1 9 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.535 0.285 19955 6445 1 9 . 1 1 819 819 ILE C C 819 175.630 175.630 175.444 0.186 19955 6446 1 9 . 1 1 819 819 ILE CA C 819 58.602 58.602 58.703 -0.101 19955 6447 1 9 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.412 -0.871 19955 6448 1 9 . 1 1 819 819 ILE H H 819 8.286 8.286 8.294 -0.008 19955 6449 1 9 . 1 1 820 820 VAL N N 820 124.554 124.554 121.775 2.779 19955 6450 1 9 . 1 1 820 820 VAL HA H 820 4.679 4.679 4.885 -0.206 19955 6451 1 9 . 1 1 820 820 VAL C C 820 172.751 172.751 174.236 -1.485 19955 6452 1 9 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.899 -1.038 19955 6453 1 9 . 1 1 820 820 VAL CB C 820 34.372 34.372 34.104 0.268 19955 6454 1 9 . 1 1 820 820 VAL H H 820 8.717 8.717 8.434 0.283 19955 6455 1 9 . 1 1 821 821 TYR N N 821 120.296 120.296 122.327 -2.031 19955 6456 1 9 . 1 1 821 821 TYR HA H 821 4.803 4.803 4.597 0.206 19955 6457 1 9 . 1 1 821 821 TYR C C 821 175.760 175.760 175.001 0.759 19955 6458 1 9 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.775 0.063 19955 6459 1 9 . 1 1 821 821 TYR CB C 821 40.132 40.132 40.205 -0.073 19955 6460 1 9 . 1 1 821 821 TYR H H 821 8.360 8.360 8.177 0.183 19955 6461 1 9 . 1 1 822 822 ILE N N 822 123.440 123.440 123.045 0.395 19955 6462 1 9 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.514 -0.649 19955 6463 1 9 . 1 1 822 822 ILE C C 822 176.541 176.541 176.102 0.439 19955 6464 1 9 . 1 1 822 822 ILE CA C 822 62.327 62.327 58.947 3.380 19955 6465 1 9 . 1 1 822 822 ILE CB C 822 39.429 39.429 37.100 2.329 19955 6466 1 9 . 1 1 822 822 ILE H H 822 8.991 8.991 8.016 0.975 19955 6467 1 9 . 1 1 823 823 TYR N N 823 127.197 127.197 125.586 1.611 19955 6468 1 9 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.657 0.411 19955 6469 1 9 . 1 1 823 823 TYR C C 823 176.327 176.327 176.048 0.279 19955 6470 1 9 . 1 1 823 823 TYR CA C 823 56.331 56.331 58.476 -2.145 19955 6471 1 9 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.454 -2.169 19955 6472 1 9 . 1 1 823 823 TYR H H 823 9.699 9.699 8.246 1.453 19955 6473 1 9 . 1 1 824 824 LYS N N 824 113.691 113.691 117.063 -3.372 19955 6474 1 9 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.534 0.130 19955 6475 1 9 . 1 1 824 824 LYS C C 824 174.044 174.044 173.578 0.466 19955 6476 1 9 . 1 1 824 824 LYS CA C 824 55.301 55.301 54.974 0.327 19955 6477 1 9 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.896 0.208 19955 6478 1 9 . 1 1 824 824 LYS H H 824 7.904 7.904 7.377 0.527 19955 6479 1 9 . 1 1 825 825 GLN N N 825 122.998 122.998 121.169 1.829 19955 6480 1 9 . 1 1 825 825 GLN HA H 825 4.614 4.614 3.896 0.718 19955 6481 1 9 . 1 1 825 825 GLN C C 825 175.372 175.372 175.756 -0.384 19955 6482 1 9 . 1 1 825 825 GLN CA C 825 55.970 55.970 54.656 1.314 19955 6483 1 9 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.194 -0.180 19955 6484 1 9 . 1 1 825 825 GLN H H 825 9.091 9.091 8.501 0.590 19955 6485 1 9 . 1 1 826 826 ILE N N 826 126.911 126.911 125.938 0.973 19955 6486 1 9 . 1 1 826 826 ILE HA H 826 3.950 3.950 3.906 0.044 19955 6487 1 9 . 1 1 826 826 ILE C C 826 175.447 175.447 176.673 -1.226 19955 6488 1 9 . 1 1 826 826 ILE CA C 826 62.062 62.062 63.390 -1.328 19955 6489 1 9 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.157 0.022 19955 6490 1 9 . 1 1 826 826 ILE H H 826 8.356 8.356 8.102 0.254 19955 6491 1 9 . 1 1 827 827 ASP N N 827 118.575 118.575 115.907 2.668 19955 6492 1 9 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.855 -0.436 19955 6493 1 9 . 1 1 827 827 ASP C C 827 175.673 175.673 175.216 0.457 19955 6494 1 9 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.541 0.714 19955 6495 1 9 . 1 1 827 827 ASP CB C 827 40.120 40.120 42.810 -2.690 19955 6496 1 9 . 1 1 827 827 ASP H H 827 7.952 7.952 8.029 -0.077 19955 6497 1 9 . 1 1 828 828 GLN N N 828 113.633 113.633 117.202 -3.569 19955 6498 1 9 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.100 -0.228 19955 6499 1 9 . 1 1 828 828 GLN C C 828 175.745 175.745 176.726 -0.981 19955 6500 1 9 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.996 -0.735 19955 6501 1 9 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.782 -0.284 19955 6502 1 9 . 1 1 828 828 GLN H H 828 8.468 8.468 8.338 0.130 19955 6503 1 9 . 1 1 829 829 ASN N N 829 114.412 114.412 115.628 -1.216 19955 6504 1 9 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.768 -0.026 19955 6505 1 9 . 1 1 829 829 ASN C C 829 175.652 175.652 173.596 2.056 19955 6506 1 9 . 1 1 829 829 ASN CA C 829 53.641 53.641 52.502 1.139 19955 6507 1 9 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.402 2.413 19955 6508 1 9 . 1 1 829 829 ASN H H 829 8.799 8.799 8.058 0.741 19955 6509 1 9 . 1 1 830 830 TRP N N 830 121.661 121.661 118.898 2.763 19955 6510 1 9 . 1 1 830 830 TRP HA H 830 4.810 4.810 5.103 -0.293 19955 6511 1 9 . 1 1 830 830 TRP C C 830 175.077 175.077 175.391 -0.314 19955 6512 1 9 . 1 1 830 830 TRP CA C 830 57.290 57.290 54.415 2.875 19955 6513 1 9 . 1 1 830 830 TRP CB C 830 32.570 32.570 30.238 2.332 19955 6514 1 9 . 1 1 830 830 TRP H H 830 8.033 8.033 7.528 0.505 19955 6515 1 9 . 1 1 831 831 TYR N N 831 120.163 120.163 121.325 -1.162 19955 6516 1 9 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.668 0.377 19955 6517 1 9 . 1 1 831 831 TYR C C 831 173.672 173.672 173.219 0.453 19955 6518 1 9 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.690 -0.317 19955 6519 1 9 . 1 1 831 831 TYR CB C 831 42.726 42.726 43.072 -0.346 19955 6520 1 9 . 1 1 831 831 TYR H H 831 8.721 8.721 9.274 -0.553 19955 6521 1 9 . 1 1 832 832 GLU N N 832 117.935 117.935 120.187 -2.252 19955 6522 1 9 . 1 1 832 832 GLU HA H 832 4.937 4.937 4.594 0.343 19955 6523 1 9 . 1 1 832 832 GLU C C 832 176.121 176.121 174.818 1.303 19955 6524 1 9 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.178 0.225 19955 6525 1 9 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.839 0.116 19955 6526 1 9 . 1 1 832 832 GLU H H 832 8.696 8.696 8.004 0.692 19955 6527 1 9 . 1 1 833 833 GLY N N 833 115.171 115.171 111.485 3.686 19955 6528 1 9 . 1 1 833 833 GLY C C 833 168.962 168.962 172.110 -3.148 19955 6529 1 9 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.449 1.175 19955 6530 1 9 . 1 1 833 833 GLY H H 833 9.063 9.063 8.164 0.899 19955 6531 1 9 . 1 1 834 834 GLU N N 834 117.849 117.849 120.492 -2.643 19955 6532 1 9 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.647 0.042 19955 6533 1 9 . 1 1 834 834 GLU C C 834 175.077 175.077 174.855 0.222 19955 6534 1 9 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.191 -0.225 19955 6535 1 9 . 1 1 834 834 GLU CB C 834 35.044 35.044 34.004 1.040 19955 6536 1 9 . 1 1 834 834 GLU H H 834 8.708 8.708 8.829 -0.121 19955 6537 1 9 . 1 1 835 835 HIS N N 835 120.973 120.973 124.660 -3.687 19955 6538 1 9 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.092 -0.258 19955 6539 1 9 . 1 1 835 835 HIS C C 835 174.509 174.509 174.261 0.248 19955 6540 1 9 . 1 1 835 835 HIS CA C 835 56.249 56.249 56.506 -0.257 19955 6541 1 9 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.567 0.644 19955 6542 1 9 . 1 1 835 835 HIS H H 835 8.799 8.799 9.209 -0.410 19955 6543 1 9 . 1 1 836 836 HIS N N 836 125.728 125.728 126.230 -0.502 19955 6544 1 9 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.186 -0.020 19955 6545 1 9 . 1 1 836 836 HIS C C 836 175.012 175.012 174.588 0.424 19955 6546 1 9 . 1 1 836 836 HIS CA C 836 55.689 55.689 56.796 -1.107 19955 6547 1 9 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.413 -0.419 19955 6548 1 9 . 1 1 836 836 HIS H H 836 9.163 9.163 9.274 -0.111 19955 6549 1 9 . 1 1 837 837 GLY N N 837 104.909 104.909 104.687 0.222 19955 6550 1 9 . 1 1 837 837 GLY C C 837 173.235 173.235 173.717 -0.482 19955 6551 1 9 . 1 1 837 837 GLY CA C 837 45.654 45.654 44.971 0.683 19955 6552 1 9 . 1 1 837 837 GLY H H 837 9.070 9.070 8.415 0.655 19955 6553 1 9 . 1 1 838 838 ARG N N 838 122.925 122.925 120.533 2.392 19955 6554 1 9 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.775 -0.182 19955 6555 1 9 . 1 1 838 838 ARG C C 838 173.682 173.682 174.238 -0.556 19955 6556 1 9 . 1 1 838 838 ARG CA C 838 54.881 54.881 55.078 -0.197 19955 6557 1 9 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.144 -1.086 19955 6558 1 9 . 1 1 838 838 ARG H H 838 7.814 7.814 7.657 0.157 19955 6559 1 9 . 1 1 839 839 VAL N N 839 123.572 123.572 123.544 0.028 19955 6560 1 9 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.266 -0.132 19955 6561 1 9 . 1 1 839 839 VAL C C 839 177.296 177.296 174.559 2.737 19955 6562 1 9 . 1 1 839 839 VAL CA C 839 60.200 60.200 60.110 0.090 19955 6563 1 9 . 1 1 839 839 VAL CB C 839 33.994 33.994 35.599 -1.605 19955 6564 1 9 . 1 1 839 839 VAL H H 839 8.360 8.360 8.507 -0.147 19955 6565 1 9 . 1 1 840 840 GLY N N 840 114.006 114.006 115.032 -1.026 19955 6566 1 9 . 1 1 840 840 GLY C C 840 171.246 171.246 172.074 -0.828 19955 6567 1 9 . 1 1 840 840 GLY CA C 840 45.896 45.896 45.544 0.352 19955 6568 1 9 . 1 1 840 840 GLY H H 840 8.951 8.951 8.097 0.854 19955 6569 1 9 . 1 1 841 841 ILE N N 841 112.496 112.496 116.497 -4.001 19955 6570 1 9 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.880 1.001 19955 6571 1 9 . 1 1 841 841 ILE C C 841 176.120 176.120 173.692 2.428 19955 6572 1 9 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.842 0.525 19955 6573 1 9 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.987 -1.070 19955 6574 1 9 . 1 1 841 841 ILE H H 841 8.434 8.434 8.241 0.193 19955 6575 1 9 . 1 1 842 842 PHE N N 842 116.289 116.289 115.092 1.197 19955 6576 1 9 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.660 0.311 19955 6577 1 9 . 1 1 842 842 PHE C C 842 171.777 171.777 172.463 -0.686 19955 6578 1 9 . 1 1 842 842 PHE CA C 842 54.265 54.265 55.653 -1.388 19955 6579 1 9 . 1 1 842 842 PHE CB C 842 37.515 37.515 39.150 -1.635 19955 6580 1 9 . 1 1 842 842 PHE H H 842 8.408 8.408 8.162 0.246 19955 6581 1 9 . 1 1 843 843 PRO HA H 843 3.934 3.934 5.217 -1.283 19955 6582 1 9 . 1 1 843 843 PRO C C 843 178.228 178.228 178.386 -0.158 19955 6583 1 9 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.611 -0.998 19955 6584 1 9 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.941 -0.546 19955 6585 1 9 . 1 1 844 844 ARG N N 844 122.291 122.291 124.209 -1.918 19955 6586 1 9 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.011 -0.067 19955 6587 1 9 . 1 1 844 844 ARG C C 844 178.171 178.171 177.711 0.460 19955 6588 1 9 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.070 -0.452 19955 6589 1 9 . 1 1 844 844 ARG CB C 844 30.297 30.297 28.978 1.319 19955 6590 1 9 . 1 1 844 844 ARG H H 844 7.906 7.906 8.446 -0.540 19955 6591 1 9 . 1 1 845 845 THR N N 845 105.068 105.068 110.581 -5.513 19955 6592 1 9 . 1 1 845 845 THR HA H 845 4.159 4.159 4.241 -0.082 19955 6593 1 9 . 1 1 845 845 THR C C 845 175.363 175.363 175.135 0.228 19955 6594 1 9 . 1 1 845 845 THR CA C 845 63.035 63.035 64.334 -1.299 19955 6595 1 9 . 1 1 845 845 THR CB C 845 69.022 69.022 69.039 -0.017 19955 6596 1 9 . 1 1 845 845 THR H H 845 7.907 7.907 8.084 -0.177 19955 6597 1 9 . 1 1 846 846 TYR N N 846 118.977 118.977 120.278 -1.301 19955 6598 1 9 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.931 -0.396 19955 6599 1 9 . 1 1 846 846 TYR C C 846 174.917 174.917 173.583 1.334 19955 6600 1 9 . 1 1 846 846 TYR CA C 846 58.751 58.751 56.553 2.198 19955 6601 1 9 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.305 -1.250 19955 6602 1 9 . 1 1 846 846 TYR H H 846 7.611 7.611 8.348 -0.737 19955 6603 1 9 . 1 1 847 847 ILE N N 847 113.230 113.230 113.407 -0.177 19955 6604 1 9 . 1 1 847 847 ILE HA H 847 5.099 5.099 4.799 0.300 19955 6605 1 9 . 1 1 847 847 ILE C C 847 174.141 174.141 174.371 -0.230 19955 6606 1 9 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.250 -0.796 19955 6607 1 9 . 1 1 847 847 ILE CB C 847 42.191 42.191 41.809 0.382 19955 6608 1 9 . 1 1 847 847 ILE H H 847 7.390 7.390 6.935 0.455 19955 6609 1 9 . 1 1 848 848 GLU N N 848 121.909 121.909 118.140 3.769 19955 6610 1 9 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.545 0.003 19955 6611 1 9 . 1 1 848 848 GLU C C 848 175.193 175.193 175.322 -0.129 19955 6612 1 9 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.319 -0.655 19955 6613 1 9 . 1 1 848 848 GLU CB C 848 32.624 32.624 33.146 -0.522 19955 6614 1 9 . 1 1 848 848 GLU H H 848 8.786 8.786 8.514 0.272 19955 6615 1 9 . 1 1 849 849 LEU N N 849 126.431 126.431 123.265 3.166 19955 6616 1 9 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.383 -0.292 19955 6617 1 9 . 1 1 849 849 LEU C C 849 177.019 177.019 176.470 0.549 19955 6618 1 9 . 1 1 849 849 LEU CA C 849 55.667 55.667 53.574 2.093 19955 6619 1 9 . 1 1 849 849 LEU CB C 849 41.542 41.542 41.766 -0.224 19955 6620 1 9 . 1 1 849 849 LEU H H 849 8.730 8.730 8.525 0.205 19955 6621 1 9 . 1 1 850 850 LEU N N 850 123.942 123.942 125.498 -1.556 19955 6622 1 9 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.004 0.558 19955 6623 1 9 . 1 1 850 850 LEU C C 850 174.453 174.453 174.586 -0.133 19955 6624 1 9 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.387 -1.582 19955 6625 1 9 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.486 -0.523 19955 6626 1 9 . 1 1 850 850 LEU H H 850 7.846 7.846 8.668 -0.822 19955 6627 1 9 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.357 -0.028 19955 6628 1 9 . 1 1 852 852 PRO C C 852 176.580 176.580 176.456 0.124 19955 6629 1 9 . 1 1 852 852 PRO CA C 852 62.903 62.903 62.663 0.240 19955 6630 1 9 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.225 -0.460 19955 6631 1 9 . 1 1 853 853 ALA N N 853 124.102 124.102 125.006 -0.904 19955 6632 1 9 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.232 0.008 19955 6633 1 9 . 1 1 853 853 ALA C C 853 177.767 177.767 177.606 0.161 19955 6634 1 9 . 1 1 853 853 ALA CA C 853 52.258 52.258 51.638 0.620 19955 6635 1 9 . 1 1 853 853 ALA CB C 853 19.516 19.516 19.773 -0.257 19955 6636 1 9 . 1 1 853 853 ALA H H 853 8.354 8.354 8.153 0.201 19955 6637 1 9 . 1 1 854 854 GLU N N 854 120.540 120.540 121.094 -0.554 19955 6638 1 9 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.057 0.146 19955 6639 1 9 . 1 1 854 854 GLU C C 854 176.402 176.402 176.472 -0.070 19955 6640 1 9 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.591 -0.211 19955 6641 1 9 . 1 1 854 854 GLU CB C 854 30.432 30.432 30.005 0.427 19955 6642 1 9 . 1 1 854 854 GLU H H 854 8.348 8.348 8.233 0.115 19955 6643 1 9 . 1 1 855 855 LYS N N 855 122.717 122.717 116.056 6.661 19955 6644 1 9 . 1 1 855 855 LYS HA H 855 4.215 4.215 3.940 0.275 19955 6645 1 9 . 1 1 855 855 LYS C C 855 176.078 176.078 175.143 0.935 19955 6646 1 9 . 1 1 855 855 LYS CA C 855 56.018 56.018 56.526 -0.508 19955 6647 1 9 . 1 1 855 855 LYS CB C 855 33.187 33.187 30.385 2.802 19955 6648 1 9 . 1 1 855 855 LYS H H 855 8.305 8.305 8.646 -0.341 19955 6649 1 9 . 1 1 856 856 ALA N N 856 125.584 125.584 121.841 3.743 19955 6650 1 9 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.300 -0.059 19955 6651 1 9 . 1 1 856 856 ALA C C 856 177.276 177.276 177.318 -0.042 19955 6652 1 9 . 1 1 856 856 ALA CA C 856 52.046 52.046 51.732 0.314 19955 6653 1 9 . 1 1 856 856 ALA CB C 856 19.294 19.294 19.610 -0.316 19955 6654 1 9 . 1 1 856 856 ALA H H 856 8.219 8.219 7.897 0.322 19955 6655 1 9 . 1 1 857 857 GLN N N 857 121.223 121.223 120.614 0.609 19955 6656 1 9 . 1 1 857 857 GLN C C 857 173.964 173.964 174.812 -0.848 19955 6657 1 9 . 1 1 857 857 GLN CA C 857 53.490 53.490 54.929 -1.439 19955 6658 1 9 . 1 1 857 857 GLN CB C 857 29.040 29.040 28.334 0.706 19955 6659 1 9 . 1 1 857 857 GLN H H 857 8.333 8.333 8.350 -0.017 19955 6660 1 9 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.542 -0.204 19955 6661 1 9 . 1 1 858 858 PRO C C 858 176.696 176.696 176.865 -0.169 19955 6662 1 9 . 1 1 858 858 PRO CA C 858 62.910 62.910 62.631 0.279 19955 6663 1 9 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.607 -0.532 19955 6664 1 9 . 1 1 859 859 LYS N N 859 121.891 121.891 120.074 1.817 19955 6665 1 9 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.005 0.185 19955 6666 1 9 . 1 1 859 859 LYS C C 859 176.382 176.382 176.244 0.138 19955 6667 1 9 . 1 1 859 859 LYS CA C 859 56.130 56.130 57.196 -1.066 19955 6668 1 9 . 1 1 859 859 LYS CB C 859 33.070 33.070 32.479 0.591 19955 6669 1 9 . 1 1 859 859 LYS H H 859 8.355 8.355 8.269 0.086 19955 6670 1 9 . 1 1 860 860 LYS N N 860 123.002 123.002 119.539 3.463 19955 6671 1 9 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.210 0.035 19955 6672 1 9 . 1 1 860 860 LYS C C 860 176.131 176.131 176.082 0.049 19955 6673 1 9 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.396 -0.544 19955 6674 1 9 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.468 0.680 19955 6675 1 9 . 1 1 860 860 LYS H H 860 8.267 8.267 7.758 0.509 19955 6676 1 9 . 1 1 861 861 LEU N N 861 124.576 124.576 122.188 2.388 19955 6677 1 9 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.584 -0.228 19955 6678 1 9 . 1 1 861 861 LEU C C 861 177.069 177.069 176.164 0.905 19955 6679 1 9 . 1 1 861 861 LEU CA C 861 54.795 54.795 55.278 -0.483 19955 6680 1 9 . 1 1 861 861 LEU CB C 861 42.350 42.350 42.294 0.056 19955 6681 1 9 . 1 1 861 861 LEU H H 861 8.316 8.316 8.181 0.135 19955 6682 1 9 . 1 1 862 862 THR N N 862 117.878 117.878 111.269 6.609 19955 6683 1 9 . 1 1 862 862 THR HA H 862 4.729 4.729 4.201 0.528 19955 6684 1 9 . 1 1 862 862 THR C C 862 172.639 172.639 173.103 -0.464 19955 6685 1 9 . 1 1 862 862 THR CA C 862 59.644 59.644 61.806 -2.162 19955 6686 1 9 . 1 1 862 862 THR CB C 862 69.476 69.476 67.767 1.709 19955 6687 1 9 . 1 1 862 862 THR H H 862 8.162 8.162 7.856 0.306 19955 6688 1 9 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.530 -0.162 19955 6689 1 9 . 1 1 863 863 PRO C C 863 176.753 176.753 176.423 0.330 19955 6690 1 9 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.895 0.297 19955 6691 1 9 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.623 -0.565 19955 6692 1 9 . 1 1 864 864 VAL N N 864 120.359 120.359 118.534 1.825 19955 6693 1 9 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.507 -0.522 19955 6694 1 9 . 1 1 864 864 VAL C C 864 175.964 175.964 175.032 0.932 19955 6695 1 9 . 1 1 864 864 VAL CA C 864 62.342 62.342 61.406 0.936 19955 6696 1 9 . 1 1 864 864 VAL CB C 864 32.521 32.521 32.274 0.247 19955 6697 1 9 . 1 1 864 864 VAL H H 864 8.102 8.102 8.403 -0.301 19955 6698 1 9 . 1 1 865 865 GLN N N 865 124.642 124.642 118.872 5.770 19955 6699 1 9 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.134 0.152 19955 6700 1 9 . 1 1 865 865 GLN C C 865 175.443 175.443 174.872 0.571 19955 6701 1 9 . 1 1 865 865 GLN CA C 865 55.595 55.595 56.528 -0.933 19955 6702 1 9 . 1 1 865 865 GLN CB C 865 29.739 29.739 28.662 1.077 19955 6703 1 9 . 1 1 865 865 GLN H H 865 8.333 8.333 8.470 -0.137 19955 6704 1 9 . 1 1 866 866 VAL N N 866 123.436 123.436 121.863 1.573 19955 6705 1 9 . 1 1 866 866 VAL HA H 866 3.969 3.969 3.828 0.141 19955 6706 1 9 . 1 1 866 866 VAL C C 866 175.685 175.685 175.875 -0.190 19955 6707 1 9 . 1 1 866 866 VAL CA C 866 62.398 62.398 64.182 -1.784 19955 6708 1 9 . 1 1 866 866 VAL CB C 866 32.832 32.832 31.665 1.167 19955 6709 1 9 . 1 1 866 866 VAL H H 866 8.189 8.189 8.717 -0.528 19955 6710 1 9 . 1 1 867 867 LEU N N 867 127.515 127.515 116.747 10.768 19955 6711 1 9 . 1 1 867 867 LEU HA H 867 4.262 4.262 3.802 0.460 19955 6712 1 9 . 1 1 867 867 LEU C C 867 177.037 177.037 175.528 1.509 19955 6713 1 9 . 1 1 867 867 LEU CA C 867 55.688 55.688 54.846 0.842 19955 6714 1 9 . 1 1 867 867 LEU CB C 867 42.552 42.552 42.527 0.025 19955 6715 1 9 . 1 1 867 867 LEU H H 867 8.679 8.679 7.352 1.327 19955 6716 1 9 . 1 1 868 868 GLU N N 868 120.794 120.794 119.223 1.571 19955 6717 1 9 . 1 1 868 868 GLU HA H 868 4.219 4.219 3.927 0.292 19955 6718 1 9 . 1 1 868 868 GLU C C 868 175.353 175.353 175.058 0.295 19955 6719 1 9 . 1 1 868 868 GLU CA C 868 55.753 55.753 57.011 -1.258 19955 6720 1 9 . 1 1 868 868 GLU CB C 868 31.419 31.419 29.558 1.861 19955 6721 1 9 . 1 1 868 868 GLU H H 868 8.272 8.272 8.335 -0.063 19955 6722 1 9 . 1 1 869 869 TYR N N 869 121.165 121.165 123.384 -2.219 19955 6723 1 9 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.492 0.208 19955 6724 1 9 . 1 1 869 869 TYR C C 869 176.824 176.824 176.477 0.347 19955 6725 1 9 . 1 1 869 869 TYR CA C 869 56.809 56.809 59.146 -2.337 19955 6726 1 9 . 1 1 869 869 TYR CB C 869 38.650 38.650 39.233 -0.583 19955 6727 1 9 . 1 1 869 869 TYR H H 869 8.003 8.003 8.412 -0.409 19955 6728 1 9 . 1 1 870 870 GLY N N 870 104.958 104.958 105.477 -0.519 19955 6729 1 9 . 1 1 870 870 GLY C C 870 173.846 173.846 173.670 0.176 19955 6730 1 9 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.417 -0.198 19955 6731 1 9 . 1 1 870 870 GLY H H 870 8.590 8.590 8.136 0.454 19955 6732 1 9 . 1 1 871 871 GLU N N 871 122.341 122.341 118.850 3.491 19955 6733 1 9 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.416 -0.194 19955 6734 1 9 . 1 1 871 871 GLU C C 871 173.827 173.827 174.572 -0.745 19955 6735 1 9 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.584 1.275 19955 6736 1 9 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.352 0.581 19955 6737 1 9 . 1 1 871 871 GLU H H 871 9.246 9.246 7.871 1.375 19955 6738 1 9 . 1 1 872 872 ALA N N 872 126.709 126.709 122.909 3.800 19955 6739 1 9 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.121 -0.017 19955 6740 1 9 . 1 1 872 872 ALA C C 872 174.022 174.022 174.837 -0.815 19955 6741 1 9 . 1 1 872 872 ALA CA C 872 50.135 50.135 50.956 -0.821 19955 6742 1 9 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.891 1.607 19955 6743 1 9 . 1 1 872 872 ALA H H 872 9.266 9.266 9.143 0.123 19955 6744 1 9 . 1 1 873 873 ILE N N 873 118.554 118.554 120.750 -2.196 19955 6745 1 9 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.835 -0.221 19955 6746 1 9 . 1 1 873 873 ILE C C 873 176.132 176.132 175.523 0.609 19955 6747 1 9 . 1 1 873 873 ILE CA C 873 58.788 58.788 57.678 1.110 19955 6748 1 9 . 1 1 873 873 ILE CB C 873 40.630 40.630 40.373 0.257 19955 6749 1 9 . 1 1 873 873 ILE H H 873 8.522 8.522 8.752 -0.230 19955 6750 1 9 . 1 1 874 874 ALA N N 874 129.739 129.739 131.588 -1.849 19955 6751 1 9 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.199 -0.162 19955 6752 1 9 . 1 1 874 874 ALA C C 874 178.259 178.259 177.513 0.746 19955 6753 1 9 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.547 0.790 19955 6754 1 9 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.325 1.953 19955 6755 1 9 . 1 1 874 874 ALA H H 874 8.608 8.608 8.326 0.282 19955 6756 1 9 . 1 1 875 875 LYS N N 875 127.308 127.308 125.055 2.253 19955 6757 1 9 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.949 0.075 19955 6758 1 9 . 1 1 875 875 LYS C C 875 174.098 174.098 176.235 -2.137 19955 6759 1 9 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.375 -1.276 19955 6760 1 9 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.889 1.095 19955 6761 1 9 . 1 1 875 875 LYS H H 875 9.298 9.298 8.691 0.607 19955 6762 1 9 . 1 1 876 876 PHE N N 876 113.423 113.423 116.518 -3.095 19955 6763 1 9 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.789 0.122 19955 6764 1 9 . 1 1 876 876 PHE C C 876 174.050 174.050 174.870 -0.820 19955 6765 1 9 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.082 -2.237 19955 6766 1 9 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.422 2.320 19955 6767 1 9 . 1 1 876 876 PHE H H 876 7.328 7.328 7.734 -0.406 19955 6768 1 9 . 1 1 877 877 ASN N N 877 116.437 116.437 119.982 -3.545 19955 6769 1 9 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.575 0.214 19955 6770 1 9 . 1 1 877 877 ASN C C 877 174.454 174.454 173.991 0.463 19955 6771 1 9 . 1 1 877 877 ASN CA C 877 53.535 53.535 53.971 -0.436 19955 6772 1 9 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.596 -0.390 19955 6773 1 9 . 1 1 877 877 ASN H H 877 8.666 8.666 8.677 -0.011 19955 6774 1 9 . 1 1 878 878 PHE N N 878 123.179 123.179 122.022 1.157 19955 6775 1 9 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.579 0.086 19955 6776 1 9 . 1 1 878 878 PHE C C 878 173.027 173.027 172.925 0.102 19955 6777 1 9 . 1 1 878 878 PHE CA C 878 56.104 56.104 57.123 -1.019 19955 6778 1 9 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.418 -0.332 19955 6779 1 9 . 1 1 878 878 PHE H H 878 8.433 8.433 8.882 -0.449 19955 6780 1 9 . 1 1 879 879 ASN N N 879 127.113 127.113 124.646 2.467 19955 6781 1 9 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.619 -0.057 19955 6782 1 9 . 1 1 879 879 ASN C C 879 173.174 173.174 173.856 -0.682 19955 6783 1 9 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.669 -0.739 19955 6784 1 9 . 1 1 879 879 ASN CB C 879 39.387 39.387 40.014 -0.627 19955 6785 1 9 . 1 1 879 879 ASN H H 879 8.000 8.000 7.770 0.230 19955 6786 1 9 . 1 1 880 880 GLY N N 880 110.949 110.949 109.335 1.614 19955 6787 1 9 . 1 1 880 880 GLY C C 880 173.383 173.383 173.981 -0.598 19955 6788 1 9 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.601 1.057 19955 6789 1 9 . 1 1 880 880 GLY H H 880 7.997 7.997 8.349 -0.352 19955 6790 1 9 . 1 1 881 881 ASP N N 881 122.408 122.408 121.478 0.930 19955 6791 1 9 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.763 -0.130 19955 6792 1 9 . 1 1 881 881 ASP C C 881 176.286 176.286 176.129 0.157 19955 6793 1 9 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.996 0.200 19955 6794 1 9 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.619 1.521 19955 6795 1 9 . 1 1 881 881 ASP H H 881 8.796 8.796 8.521 0.275 19955 6796 1 9 . 1 1 882 882 THR N N 882 108.354 108.354 109.707 -1.353 19955 6797 1 9 . 1 1 882 882 THR HA H 882 4.583 4.583 4.607 -0.024 19955 6798 1 9 . 1 1 882 882 THR C C 882 175.948 175.948 174.234 1.714 19955 6799 1 9 . 1 1 882 882 THR CA C 882 60.352 60.352 59.796 0.556 19955 6800 1 9 . 1 1 882 882 THR CB C 882 71.649 71.649 71.510 0.139 19955 6801 1 9 . 1 1 882 882 THR H H 882 7.541 7.541 7.211 0.330 19955 6802 1 9 . 1 1 883 883 GLN N N 883 118.622 118.622 119.843 -1.221 19955 6803 1 9 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.126 0.026 19955 6804 1 9 . 1 1 883 883 GLN C C 883 176.478 176.478 176.900 -0.422 19955 6805 1 9 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.423 -0.227 19955 6806 1 9 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.656 0.013 19955 6807 1 9 . 1 1 883 883 GLN H H 883 8.710 8.710 8.612 0.098 19955 6808 1 9 . 1 1 884 884 VAL N N 884 111.473 111.473 116.483 -5.010 19955 6809 1 9 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.777 0.430 19955 6810 1 9 . 1 1 884 884 VAL C C 884 176.430 176.430 176.118 0.312 19955 6811 1 9 . 1 1 884 884 VAL CA C 884 62.293 62.293 64.523 -2.230 19955 6812 1 9 . 1 1 884 884 VAL CB C 884 31.924 31.924 32.050 -0.126 19955 6813 1 9 . 1 1 884 884 VAL H H 884 7.260 7.260 7.870 -0.610 19955 6814 1 9 . 1 1 885 885 GLU N N 885 121.794 121.794 118.834 2.960 19955 6815 1 9 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.718 0.190 19955 6816 1 9 . 1 1 885 885 GLU C C 885 175.369 175.369 176.118 -0.749 19955 6817 1 9 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.514 -0.204 19955 6818 1 9 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.170 1.619 19955 6819 1 9 . 1 1 885 885 GLU H H 885 7.455 7.455 7.667 -0.212 19955 6820 1 9 . 1 1 886 886 MET N N 886 125.473 125.473 124.489 0.984 19955 6821 1 9 . 1 1 886 886 MET HA H 886 4.534 4.534 4.600 -0.066 19955 6822 1 9 . 1 1 886 886 MET C C 886 172.841 172.841 175.765 -2.924 19955 6823 1 9 . 1 1 886 886 MET CA C 886 54.129 54.129 54.174 -0.045 19955 6824 1 9 . 1 1 886 886 MET CB C 886 35.157 35.157 33.957 1.200 19955 6825 1 9 . 1 1 886 886 MET H H 886 8.996 8.996 8.652 0.344 19955 6826 1 9 . 1 1 887 887 SER N N 887 118.425 118.425 115.460 2.965 19955 6827 1 9 . 1 1 887 887 SER HA H 887 4.402 4.402 4.652 -0.250 19955 6828 1 9 . 1 1 887 887 SER C C 887 174.667 174.667 172.923 1.744 19955 6829 1 9 . 1 1 887 887 SER CA C 887 58.612 58.612 57.185 1.427 19955 6830 1 9 . 1 1 887 887 SER CB C 887 64.186 64.186 64.883 -0.697 19955 6831 1 9 . 1 1 887 887 SER H H 887 7.888 7.888 8.464 -0.576 19955 6832 1 9 . 1 1 888 888 PHE N N 888 116.363 116.363 115.662 0.701 19955 6833 1 9 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.960 -0.446 19955 6834 1 9 . 1 1 888 888 PHE C C 888 174.756 174.756 173.230 1.526 19955 6835 1 9 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.750 -0.214 19955 6836 1 9 . 1 1 888 888 PHE CB C 888 39.802 39.802 41.007 -1.205 19955 6837 1 9 . 1 1 888 888 PHE H H 888 8.780 8.780 8.237 0.543 19955 6838 1 9 . 1 1 889 889 ARG N N 889 121.944 121.944 120.435 1.509 19955 6839 1 9 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.690 0.282 19955 6840 1 9 . 1 1 889 889 ARG C C 889 175.318 175.318 175.329 -0.011 19955 6841 1 9 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.061 -0.763 19955 6842 1 9 . 1 1 889 889 ARG CB C 889 32.886 32.886 33.702 -0.816 19955 6843 1 9 . 1 1 889 889 ARG H H 889 10.187 10.187 8.728 1.459 19955 6844 1 9 . 1 1 890 890 LYS N N 890 119.991 119.991 123.413 -3.422 19955 6845 1 9 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.865 -0.617 19955 6846 1 9 . 1 1 890 890 LYS C C 890 176.504 176.504 177.545 -1.041 19955 6847 1 9 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.374 0.022 19955 6848 1 9 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.386 0.443 19955 6849 1 9 . 1 1 890 890 LYS H H 890 8.360 8.360 8.756 -0.396 19955 6850 1 9 . 1 1 891 891 GLY N N 891 113.950 113.950 114.741 -0.791 19955 6851 1 9 . 1 1 891 891 GLY C C 891 174.298 174.298 174.234 0.064 19955 6852 1 9 . 1 1 891 891 GLY CA C 891 44.668 44.668 45.014 -0.346 19955 6853 1 9 . 1 1 891 891 GLY H H 891 8.673 8.673 8.706 -0.033 19955 6854 1 9 . 1 1 892 892 GLU N N 892 119.511 119.511 121.360 -1.849 19955 6855 1 9 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.397 -0.281 19955 6856 1 9 . 1 1 892 892 GLU C C 892 174.618 174.618 176.331 -1.713 19955 6857 1 9 . 1 1 892 892 GLU CA C 892 59.515 59.515 55.844 3.671 19955 6858 1 9 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.669 -0.088 19955 6859 1 9 . 1 1 892 892 GLU H H 892 7.856 7.856 7.910 -0.054 19955 6860 1 9 . 1 1 893 893 ARG N N 893 122.979 122.979 121.706 1.273 19955 6861 1 9 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.833 -0.236 19955 6862 1 9 . 1 1 893 893 ARG C C 893 174.836 174.836 176.168 -1.332 19955 6863 1 9 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.341 -0.813 19955 6864 1 9 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.455 -0.415 19955 6865 1 9 . 1 1 893 893 ARG H H 893 8.120 8.120 8.603 -0.483 19955 6866 1 9 . 1 1 894 894 ILE N N 894 122.659 122.659 122.997 -0.338 19955 6867 1 9 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.433 -0.370 19955 6868 1 9 . 1 1 894 894 ILE C C 894 175.789 175.789 174.438 1.351 19955 6869 1 9 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.169 0.097 19955 6870 1 9 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.478 0.949 19955 6871 1 9 . 1 1 894 894 ILE H H 894 8.586 8.586 9.050 -0.464 19955 6872 1 9 . 1 1 895 895 THR N N 895 124.709 124.709 121.702 3.007 19955 6873 1 9 . 1 1 895 895 THR HA H 895 4.441 4.441 5.014 -0.573 19955 6874 1 9 . 1 1 895 895 THR C C 895 174.124 174.124 174.403 -0.279 19955 6875 1 9 . 1 1 895 895 THR CA C 895 62.837 62.837 60.920 1.917 19955 6876 1 9 . 1 1 895 895 THR CB C 895 69.246 69.246 69.567 -0.320 19955 6877 1 9 . 1 1 895 895 THR H H 895 9.078 9.078 8.933 0.145 19955 6878 1 9 . 1 1 896 896 LEU N N 896 122.648 122.648 127.794 -5.146 19955 6879 1 9 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.444 -0.055 19955 6880 1 9 . 1 1 896 896 LEU C C 896 174.836 174.836 176.393 -1.557 19955 6881 1 9 . 1 1 896 896 LEU H H 896 8.583 8.583 8.331 0.252 19955 6882 1 9 . 1 1 897 897 LEU N N 897 124.502 124.502 125.586 -1.084 19955 6883 1 9 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.526 -0.194 19955 6884 1 9 . 1 1 897 897 LEU C C 897 176.645 176.645 177.196 -0.551 19955 6885 1 9 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.768 0.458 19955 6886 1 9 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.554 -1.223 19955 6887 1 9 . 1 1 897 897 LEU H H 897 8.984 8.984 8.623 0.361 19955 6888 1 9 . 1 1 898 898 ARG N N 898 108.422 108.422 117.372 -8.950 19955 6889 1 9 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.544 -0.102 19955 6890 1 9 . 1 1 898 898 ARG C C 898 173.645 173.645 174.011 -0.366 19955 6891 1 9 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.221 0.021 19955 6892 1 9 . 1 1 898 898 ARG CB C 898 31.609 31.609 33.922 -2.313 19955 6893 1 9 . 1 1 898 898 ARG H H 898 7.413 7.413 7.615 -0.202 19955 6894 1 9 . 1 1 899 899 GLN N N 899 124.503 124.503 123.546 0.957 19955 6895 1 9 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.573 -0.381 19955 6896 1 9 . 1 1 899 899 GLN C C 899 175.142 175.142 175.430 -0.288 19955 6897 1 9 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.504 0.792 19955 6898 1 9 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.738 -1.249 19955 6899 1 9 . 1 1 899 899 GLN H H 899 9.301 9.301 8.769 0.532 19955 6900 1 9 . 1 1 900 900 VAL N N 900 129.109 129.109 126.427 2.682 19955 6901 1 9 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.929 -0.263 19955 6902 1 9 . 1 1 900 900 VAL C C 900 175.298 175.298 176.500 -1.202 19955 6903 1 9 . 1 1 900 900 VAL CA C 900 64.773 64.773 64.458 0.315 19955 6904 1 9 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.228 0.593 19955 6905 1 9 . 1 1 900 900 VAL H H 900 8.475 8.475 8.405 0.070 19955 6906 1 9 . 1 1 901 901 ASP N N 901 118.573 118.573 116.615 1.958 19955 6907 1 9 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.945 -0.549 19955 6908 1 9 . 1 1 901 901 ASP C C 901 175.386 175.386 176.353 -0.967 19955 6909 1 9 . 1 1 901 901 ASP CA C 901 53.300 53.300 52.631 0.669 19955 6910 1 9 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.724 -2.561 19955 6911 1 9 . 1 1 901 901 ASP H H 901 8.038 8.038 8.020 0.018 19955 6912 1 9 . 1 1 902 902 GLU N N 902 114.492 114.492 119.638 -5.146 19955 6913 1 9 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.194 -0.362 19955 6914 1 9 . 1 1 902 902 GLU C C 902 175.973 175.973 176.413 -0.440 19955 6915 1 9 . 1 1 902 902 GLU CA C 902 59.095 59.095 59.166 -0.071 19955 6916 1 9 . 1 1 902 902 GLU CB C 902 29.507 29.507 29.820 -0.313 19955 6917 1 9 . 1 1 902 902 GLU H H 902 8.784 8.784 8.592 0.192 19955 6918 1 9 . 1 1 903 903 ASN N N 903 113.835 113.835 114.759 -0.924 19955 6919 1 9 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.874 -0.010 19955 6920 1 9 . 1 1 903 903 ASN C C 903 175.238 175.238 173.441 1.797 19955 6921 1 9 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.853 0.947 19955 6922 1 9 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.187 3.023 19955 6923 1 9 . 1 1 903 903 ASN H H 903 8.763 8.763 8.381 0.382 19955 6924 1 9 . 1 1 904 904 TRP N N 904 121.517 121.517 119.189 2.328 19955 6925 1 9 . 1 1 904 904 TRP HA H 904 4.950 4.950 5.022 -0.072 19955 6926 1 9 . 1 1 904 904 TRP C C 904 175.223 175.223 174.932 0.291 19955 6927 1 9 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.752 0.427 19955 6928 1 9 . 1 1 904 904 TRP CB C 904 31.286 31.286 33.329 -2.043 19955 6929 1 9 . 1 1 904 904 TRP H H 904 8.141 8.141 7.415 0.726 19955 6930 1 9 . 1 1 905 905 TYR N N 905 121.365 121.365 116.797 4.568 19955 6931 1 9 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.229 -0.313 19955 6932 1 9 . 1 1 905 905 TYR C C 905 173.702 173.702 172.672 1.030 19955 6933 1 9 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.326 0.134 19955 6934 1 9 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.406 1.995 19955 6935 1 9 . 1 1 905 905 TYR H H 905 8.550 8.550 8.532 0.018 19955 6936 1 9 . 1 1 906 906 GLU N N 906 117.356 117.356 121.244 -3.888 19955 6937 1 9 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.538 0.347 19955 6938 1 9 . 1 1 906 906 GLU C C 906 176.159 176.159 175.123 1.036 19955 6939 1 9 . 1 1 906 906 GLU CA C 906 54.795 54.795 53.965 0.829 19955 6940 1 9 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.285 -0.695 19955 6941 1 9 . 1 1 906 906 GLU H H 906 8.707 8.707 8.933 -0.226 19955 6942 1 9 . 1 1 907 907 GLY N N 907 114.506 114.506 111.545 2.961 19955 6943 1 9 . 1 1 907 907 GLY C C 907 169.408 169.408 171.767 -2.359 19955 6944 1 9 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.189 0.545 19955 6945 1 9 . 1 1 907 907 GLY H H 907 9.334 9.334 8.334 1.000 19955 6946 1 9 . 1 1 908 908 ARG N N 908 114.660 114.660 116.272 -1.612 19955 6947 1 9 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.225 0.152 19955 6948 1 9 . 1 1 908 908 ARG C C 908 173.981 173.981 174.815 -0.834 19955 6949 1 9 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.556 -0.279 19955 6950 1 9 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.027 0.562 19955 6951 1 9 . 1 1 908 908 ARG H H 908 8.694 8.694 8.471 0.223 19955 6952 1 9 . 1 1 909 909 ILE N N 909 124.579 124.579 122.313 2.266 19955 6953 1 9 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.506 0.413 19955 6954 1 9 . 1 1 909 909 ILE C C 909 175.024 175.024 176.733 -1.709 19955 6955 1 9 . 1 1 909 909 ILE CA C 909 56.699 56.699 59.802 -3.103 19955 6956 1 9 . 1 1 909 909 ILE CB C 909 35.387 35.387 37.699 -2.312 19955 6957 1 9 . 1 1 909 909 ILE H H 909 7.757 7.757 8.417 -0.660 19955 6958 1 9 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.412 0.217 19955 6959 1 9 . 1 1 910 910 PRO C C 910 176.353 176.353 177.891 -1.538 19955 6960 1 9 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.580 -11.782 19955 6961 1 9 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.807 -1.399 19955 6962 1 9 . 1 1 911 911 GLY N N 911 118.118 118.118 104.815 13.303 19955 6963 1 9 . 1 1 911 911 GLY C C 911 173.987 173.987 174.218 -0.231 19955 6964 1 9 . 1 1 911 911 GLY CA C 911 45.332 45.332 44.985 0.347 19955 6965 1 9 . 1 1 911 911 GLY H H 911 7.869 7.869 8.332 -0.463 19955 6966 1 9 . 1 1 912 912 THR N N 912 109.041 109.041 113.590 -4.549 19955 6967 1 9 . 1 1 912 912 THR HA H 912 4.469 4.469 4.022 0.447 19955 6968 1 9 . 1 1 912 912 THR C C 912 174.144 174.144 174.144 0.000 19955 6969 1 9 . 1 1 912 912 THR CA C 912 60.194 60.194 63.404 -3.210 19955 6970 1 9 . 1 1 912 912 THR CB C 912 72.812 72.812 67.074 5.738 19955 6971 1 9 . 1 1 912 912 THR H H 912 7.743 7.743 7.909 -0.166 19955 6972 1 9 . 1 1 913 913 SER N N 913 126.292 126.292 116.909 9.383 19955 6973 1 9 . 1 1 913 913 SER HA H 913 4.671 4.671 4.509 0.162 19955 6974 1 9 . 1 1 913 913 SER C C 913 174.781 174.781 173.924 0.857 19955 6975 1 9 . 1 1 913 913 SER CA C 913 57.411 57.411 59.054 -1.643 19955 6976 1 9 . 1 1 913 913 SER CB C 913 63.258 63.258 64.759 -1.501 19955 6977 1 9 . 1 1 913 913 SER H H 913 7.896 7.896 8.557 -0.661 19955 6978 1 9 . 1 1 914 914 ARG N N 914 124.284 124.284 119.890 4.394 19955 6979 1 9 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.662 -0.409 19955 6980 1 9 . 1 1 914 914 ARG C C 914 174.712 174.712 173.883 0.829 19955 6981 1 9 . 1 1 914 914 ARG CA C 914 56.960 56.960 55.532 1.428 19955 6982 1 9 . 1 1 914 914 ARG CB C 914 30.694 30.694 32.860 -2.166 19955 6983 1 9 . 1 1 914 914 ARG H H 914 8.631 8.631 7.939 0.692 19955 6984 1 9 . 1 1 915 915 GLN N N 915 124.297 124.297 121.584 2.713 19955 6985 1 9 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.227 0.154 19955 6986 1 9 . 1 1 915 915 GLN C C 915 174.377 174.377 174.247 0.130 19955 6987 1 9 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.883 0.683 19955 6988 1 9 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.584 -1.578 19955 6989 1 9 . 1 1 915 915 GLN H H 915 8.054 8.054 8.665 -0.611 19955 6990 1 9 . 1 1 916 916 GLY N N 916 112.028 112.028 110.623 1.405 19955 6991 1 9 . 1 1 916 916 GLY C C 916 172.185 172.185 171.232 0.953 19955 6992 1 9 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.707 -0.460 19955 6993 1 9 . 1 1 916 916 GLY H H 916 8.818 8.818 8.658 0.160 19955 6994 1 9 . 1 1 917 917 ILE N N 917 113.634 113.634 115.821 -2.187 19955 6995 1 9 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.358 1.670 19955 6996 1 9 . 1 1 917 917 ILE C C 917 176.584 176.584 173.602 2.982 19955 6997 1 9 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.194 1.785 19955 6998 1 9 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.904 0.321 19955 6999 1 9 . 1 1 917 917 ILE H H 917 8.714 8.714 7.543 1.171 19955 7000 1 9 . 1 1 918 918 PHE N N 918 115.806 115.806 117.519 -1.713 19955 7001 1 9 . 1 1 918 918 PHE C C 918 170.959 170.959 172.705 -1.746 19955 7002 1 9 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.049 0.570 19955 7003 1 9 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.123 -0.501 19955 7004 1 9 . 1 1 918 918 PHE H H 918 8.573 8.573 7.331 1.242 19955 7005 1 9 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.389 -0.289 19955 7006 1 9 . 1 1 919 919 PRO C C 919 178.655 178.655 177.800 0.855 19955 7007 1 9 . 1 1 919 919 PRO CA C 919 60.998 60.998 62.030 -1.032 19955 7008 1 9 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.962 -0.752 19955 7009 1 9 . 1 1 920 920 ILE N N 920 123.677 123.677 124.217 -0.540 19955 7010 1 9 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.791 -0.100 19955 7011 1 9 . 1 1 920 920 ILE C C 920 176.798 176.798 177.701 -0.903 19955 7012 1 9 . 1 1 920 920 ILE CA C 920 63.373 63.373 65.242 -1.869 19955 7013 1 9 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.554 1.297 19955 7014 1 9 . 1 1 920 920 ILE H H 920 7.949 7.949 8.154 -0.205 19955 7015 1 9 . 1 1 921 921 THR N N 921 106.993 106.993 113.260 -6.267 19955 7016 1 9 . 1 1 921 921 THR HA H 921 4.294 4.294 4.000 0.294 19955 7017 1 9 . 1 1 921 921 THR C C 921 175.639 175.639 175.140 0.499 19955 7018 1 9 . 1 1 921 921 THR CA C 921 62.983 62.983 65.281 -2.298 19955 7019 1 9 . 1 1 921 921 THR CB C 921 69.104 69.104 68.215 0.889 19955 7020 1 9 . 1 1 921 921 THR H H 921 7.500 7.500 8.531 -1.031 19955 7021 1 9 . 1 1 922 922 TYR N N 922 118.600 118.600 120.218 -1.618 19955 7022 1 9 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.902 -0.262 19955 7023 1 9 . 1 1 922 922 TYR C C 922 175.481 175.481 174.816 0.665 19955 7024 1 9 . 1 1 922 922 TYR CA C 922 59.448 59.448 58.671 0.777 19955 7025 1 9 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.808 -0.208 19955 7026 1 9 . 1 1 922 922 TYR H H 922 7.836 7.836 7.715 0.121 19955 7027 1 9 . 1 1 923 923 VAL N N 923 109.058 109.058 113.494 -4.436 19955 7028 1 9 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.797 0.162 19955 7029 1 9 . 1 1 923 923 VAL C C 923 172.905 172.905 174.008 -1.103 19955 7030 1 9 . 1 1 923 923 VAL CA C 923 58.490 58.490 59.561 -1.071 19955 7031 1 9 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.674 -0.387 19955 7032 1 9 . 1 1 923 923 VAL H H 923 7.701 7.701 7.981 -0.280 19955 7033 1 9 . 1 1 924 924 ASP N N 924 120.115 120.115 122.428 -2.313 19955 7034 1 9 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.817 0.117 19955 7035 1 9 . 1 1 924 924 ASP C C 924 175.863 175.863 175.222 0.641 19955 7036 1 9 . 1 1 924 924 ASP CA C 924 52.934 52.934 51.932 1.002 19955 7037 1 9 . 1 1 924 924 ASP CB C 924 42.263 42.263 43.032 -0.770 19955 7038 1 9 . 1 1 924 924 ASP H H 924 8.658 8.658 8.890 -0.232 19955 7039 1 9 . 1 1 925 925 VAL N N 925 125.090 125.090 126.747 -1.657 19955 7040 1 9 . 1 1 925 925 VAL HA H 925 3.679 3.679 3.890 -0.211 19955 7041 1 9 . 1 1 925 925 VAL C C 925 175.620 175.620 175.565 0.055 19955 7042 1 9 . 1 1 925 925 VAL CA C 925 64.215 64.215 62.892 1.323 19955 7043 1 9 . 1 1 925 925 VAL CB C 925 31.721 31.721 32.029 -0.308 19955 7044 1 9 . 1 1 925 925 VAL H H 925 8.911 8.911 8.667 0.244 19955 7045 1 9 . 1 1 926 926 ILE N N 926 129.390 129.390 126.782 2.608 19955 7046 1 9 . 1 1 926 926 ILE HA H 926 4.037 4.037 4.258 -0.221 19955 7047 1 9 . 1 1 926 926 ILE C C 926 175.683 175.683 176.462 -0.779 19955 7048 1 9 . 1 1 926 926 ILE CA C 926 61.578 61.578 61.680 -0.102 19955 7049 1 9 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.575 -0.028 19955 7050 1 9 . 1 1 926 926 ILE H H 926 8.519 8.519 8.175 0.344 19955 7051 1 9 . 1 1 927 927 LYS N N 927 122.060 122.060 119.671 2.389 19955 7052 1 9 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.514 0.098 19955 7053 1 9 . 1 1 927 927 LYS C C 927 175.204 175.204 175.510 -0.306 19955 7054 1 9 . 1 1 927 927 LYS CA C 927 55.597 55.597 54.960 0.637 19955 7055 1 9 . 1 1 927 927 LYS CB C 927 35.633 35.633 35.052 0.581 19955 7056 1 9 . 1 1 927 927 LYS H H 927 8.017 8.017 7.541 0.476 19955 7057 1 9 . 1 1 928 928 ARG N N 928 126.441 126.441 123.032 3.409 19955 7058 1 9 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.398 0.029 19955 7059 1 9 . 1 1 928 928 ARG C C 928 173.959 173.959 175.866 -1.907 19955 7060 1 9 . 1 1 928 928 ARG CA C 928 55.488 55.488 54.768 0.720 19955 7061 1 9 . 1 1 928 928 ARG CB C 928 29.713 29.713 28.819 0.894 19955 7062 1 9 . 1 1 928 928 ARG H H 928 8.729 8.729 8.668 0.061 19955 7063 1 9 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.308 0.205 19955 7064 1 9 . 1 1 929 929 PRO CA C 929 62.718 62.718 65.231 -2.513 19955 7065 1 9 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.179 -0.563 19955 7066 1 10 . 1 1 790 790 MET HA H 790 4.396 4.396 4.469 -0.073 19955 7067 1 10 . 1 1 790 790 MET CA C 790 55.378 55.378 55.685 -0.307 19955 7068 1 10 . 1 1 790 790 MET CB C 790 32.960 32.960 33.572 -0.612 19955 7069 1 10 . 1 1 791 791 SER N N 791 118.373 118.373 115.367 3.006 19955 7070 1 10 . 1 1 791 791 SER HA H 791 4.362 4.362 4.203 0.159 19955 7071 1 10 . 1 1 791 791 SER C C 791 175.043 175.043 173.808 1.235 19955 7072 1 10 . 1 1 791 791 SER CA C 791 58.532 58.532 58.366 0.166 19955 7073 1 10 . 1 1 791 791 SER CB C 791 63.749 63.749 62.361 1.388 19955 7074 1 10 . 1 1 791 791 SER H H 791 8.657 8.657 8.321 0.336 19955 7075 1 10 . 1 1 792 792 GLY N N 792 111.254 111.254 107.662 3.592 19955 7076 1 10 . 1 1 792 792 GLY C C 792 174.362 174.362 173.671 0.691 19955 7077 1 10 . 1 1 792 792 GLY CA C 792 45.539 45.539 44.444 1.095 19955 7078 1 10 . 1 1 792 792 GLY H H 792 8.560 8.560 8.239 0.321 19955 7079 1 10 . 1 1 793 793 SER N N 793 115.369 115.369 114.453 0.916 19955 7080 1 10 . 1 1 793 793 SER HA H 793 4.409 4.409 4.664 -0.255 19955 7081 1 10 . 1 1 793 793 SER C C 793 174.396 174.396 173.617 0.779 19955 7082 1 10 . 1 1 793 793 SER CA C 793 58.485 58.485 57.810 0.675 19955 7083 1 10 . 1 1 793 793 SER CB C 793 63.845 63.845 65.794 -1.949 19955 7084 1 10 . 1 1 793 793 SER H H 793 8.102 8.102 8.178 -0.076 19955 7085 1 10 . 1 1 794 794 GLU N N 794 122.660 122.660 122.484 0.176 19955 7086 1 10 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.633 -0.423 19955 7087 1 10 . 1 1 794 794 GLU C C 794 175.970 175.970 175.983 -0.013 19955 7088 1 10 . 1 1 794 794 GLU CA C 794 56.849 56.849 56.121 0.728 19955 7089 1 10 . 1 1 794 794 GLU CB C 794 30.261 30.261 30.450 -0.189 19955 7090 1 10 . 1 1 794 794 GLU H H 794 8.565 8.565 8.603 -0.038 19955 7091 1 10 . 1 1 795 795 MET N N 795 119.544 119.544 121.258 -1.714 19955 7092 1 10 . 1 1 795 795 MET HA H 795 4.653 4.653 4.918 -0.265 19955 7093 1 10 . 1 1 795 795 MET C C 795 175.590 175.590 176.622 -1.032 19955 7094 1 10 . 1 1 795 795 MET CA C 795 55.135 55.135 54.785 0.350 19955 7095 1 10 . 1 1 795 795 MET CB C 795 32.378 32.378 35.208 -2.830 19955 7096 1 10 . 1 1 795 795 MET H H 795 8.156 8.156 8.482 -0.326 19955 7097 1 10 . 1 1 796 796 ARG N N 796 122.177 122.177 120.963 1.214 19955 7098 1 10 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.953 -0.042 19955 7099 1 10 . 1 1 796 796 ARG C C 796 173.378 173.378 174.086 -0.708 19955 7100 1 10 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.370 -0.435 19955 7101 1 10 . 1 1 796 796 ARG CB C 796 32.172 32.172 30.611 1.561 19955 7102 1 10 . 1 1 796 796 ARG H H 796 8.358 8.358 8.667 -0.309 19955 7103 1 10 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.114 0.582 19955 7104 1 10 . 1 1 797 797 PRO C C 797 175.805 175.805 175.445 0.360 19955 7105 1 10 . 1 1 797 797 PRO CA C 797 62.157 62.157 63.206 -1.049 19955 7106 1 10 . 1 1 797 797 PRO CB C 797 32.377 32.377 31.892 0.485 19955 7107 1 10 . 1 1 798 798 ALA N N 798 123.383 123.383 125.202 -1.819 19955 7108 1 10 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.952 -0.253 19955 7109 1 10 . 1 1 798 798 ALA C C 798 173.534 173.534 175.131 -1.597 19955 7110 1 10 . 1 1 798 798 ALA CA C 798 50.823 50.823 50.048 0.775 19955 7111 1 10 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.511 0.212 19955 7112 1 10 . 1 1 798 798 ALA H H 798 8.820 8.820 9.010 -0.190 19955 7113 1 10 . 1 1 799 799 ARG N N 799 118.968 118.968 121.742 -2.774 19955 7114 1 10 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.727 0.614 19955 7115 1 10 . 1 1 799 799 ARG C C 799 176.215 176.215 174.993 1.222 19955 7116 1 10 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.158 -1.036 19955 7117 1 10 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.753 0.686 19955 7118 1 10 . 1 1 799 799 ARG H H 799 8.803 8.803 8.106 0.697 19955 7119 1 10 . 1 1 800 800 ALA N N 800 128.073 128.073 129.081 -1.008 19955 7120 1 10 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.561 -0.024 19955 7121 1 10 . 1 1 800 800 ALA C C 800 178.146 178.146 176.712 1.434 19955 7122 1 10 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.776 0.432 19955 7123 1 10 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.740 -1.086 19955 7124 1 10 . 1 1 800 800 ALA H H 800 9.037 9.037 8.897 0.140 19955 7125 1 10 . 1 1 801 801 LYS N N 801 127.334 127.334 125.671 1.663 19955 7126 1 10 . 1 1 801 801 LYS HA H 801 3.758 3.758 4.263 -0.505 19955 7127 1 10 . 1 1 801 801 LYS C C 801 174.213 174.213 175.690 -1.477 19955 7128 1 10 . 1 1 801 801 LYS CA C 801 57.344 57.344 56.995 0.349 19955 7129 1 10 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.931 -0.284 19955 7130 1 10 . 1 1 801 801 LYS H H 801 9.291 9.291 8.678 0.613 19955 7131 1 10 . 1 1 802 802 PHE N N 802 111.696 111.696 114.861 -3.165 19955 7132 1 10 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.683 0.058 19955 7133 1 10 . 1 1 802 802 PHE C C 802 173.408 173.408 173.933 -0.525 19955 7134 1 10 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.623 -3.254 19955 7135 1 10 . 1 1 802 802 PHE CB C 802 43.242 43.242 43.034 0.208 19955 7136 1 10 . 1 1 802 802 PHE H H 802 7.069 7.069 7.436 -0.367 19955 7137 1 10 . 1 1 803 803 ASP N N 803 117.498 117.498 120.232 -2.734 19955 7138 1 10 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.975 -0.451 19955 7139 1 10 . 1 1 803 803 ASP C C 803 175.782 175.782 175.053 0.729 19955 7140 1 10 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.402 1.324 19955 7141 1 10 . 1 1 803 803 ASP CB C 803 41.154 41.154 40.956 0.198 19955 7142 1 10 . 1 1 803 803 ASP H H 803 8.339 8.339 8.773 -0.434 19955 7143 1 10 . 1 1 804 804 PHE N N 804 123.264 123.264 122.901 0.363 19955 7144 1 10 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.706 0.286 19955 7145 1 10 . 1 1 804 804 PHE C C 804 173.750 173.750 174.110 -0.360 19955 7146 1 10 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.429 -0.208 19955 7147 1 10 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.547 -0.415 19955 7148 1 10 . 1 1 804 804 PHE H H 804 9.223 9.223 8.975 0.248 19955 7149 1 10 . 1 1 805 805 LYS N N 805 129.548 129.548 128.117 1.431 19955 7150 1 10 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.261 -0.140 19955 7151 1 10 . 1 1 805 805 LYS C C 805 174.042 174.042 174.688 -0.646 19955 7152 1 10 . 1 1 805 805 LYS CA C 805 54.368 54.368 55.064 -0.696 19955 7153 1 10 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.535 -1.754 19955 7154 1 10 . 1 1 805 805 LYS H H 805 8.125 8.125 8.154 -0.029 19955 7155 1 10 . 1 1 806 806 ALA N N 806 127.231 127.231 127.272 -0.041 19955 7156 1 10 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.033 -0.151 19955 7157 1 10 . 1 1 806 806 ALA C C 806 178.066 178.066 176.938 1.128 19955 7158 1 10 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.367 -0.769 19955 7159 1 10 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.124 1.381 19955 7160 1 10 . 1 1 806 806 ALA H H 806 7.291 7.291 8.298 -1.007 19955 7161 1 10 . 1 1 807 807 GLN N N 807 121.482 121.482 121.527 -0.045 19955 7162 1 10 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.498 -0.172 19955 7163 1 10 . 1 1 807 807 GLN C C 807 175.927 175.927 176.395 -0.468 19955 7164 1 10 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.328 -0.122 19955 7165 1 10 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.964 0.978 19955 7166 1 10 . 1 1 807 807 GLN H H 807 9.375 9.375 8.956 0.419 19955 7167 1 10 . 1 1 808 808 THR N N 808 108.842 108.842 111.562 -2.720 19955 7168 1 10 . 1 1 808 808 THR HA H 808 4.661 4.661 4.639 0.022 19955 7169 1 10 . 1 1 808 808 THR C C 808 175.262 175.262 174.598 0.664 19955 7170 1 10 . 1 1 808 808 THR CA C 808 59.313 59.313 60.235 -0.922 19955 7171 1 10 . 1 1 808 808 THR CB C 808 71.810 71.810 71.124 0.686 19955 7172 1 10 . 1 1 808 808 THR H H 808 7.472 7.472 7.725 -0.253 19955 7173 1 10 . 1 1 809 809 LEU N N 809 119.518 119.518 120.685 -1.167 19955 7174 1 10 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.165 0.035 19955 7175 1 10 . 1 1 809 809 LEU C C 809 177.895 177.895 177.724 0.171 19955 7176 1 10 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.395 -0.308 19955 7177 1 10 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.886 0.015 19955 7178 1 10 . 1 1 809 809 LEU H H 809 8.387 8.387 8.391 -0.004 19955 7179 1 10 . 1 1 810 810 LYS N N 810 115.587 115.587 115.872 -0.285 19955 7180 1 10 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.073 0.157 19955 7181 1 10 . 1 1 810 810 LYS C C 810 177.172 177.172 177.117 0.055 19955 7182 1 10 . 1 1 810 810 LYS CA C 810 56.807 56.807 58.167 -1.360 19955 7183 1 10 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.488 0.571 19955 7184 1 10 . 1 1 810 810 LYS H H 810 7.707 7.707 8.058 -0.351 19955 7185 1 10 . 1 1 811 811 GLU N N 811 119.522 119.522 118.585 0.937 19955 7186 1 10 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.677 0.022 19955 7187 1 10 . 1 1 811 811 GLU C C 811 174.240 174.240 175.685 -1.445 19955 7188 1 10 . 1 1 811 811 GLU CA C 811 55.419 55.419 56.526 -1.107 19955 7189 1 10 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.443 1.911 19955 7190 1 10 . 1 1 811 811 GLU H H 811 7.244 7.244 7.464 -0.220 19955 7191 1 10 . 1 1 812 812 LEU N N 812 126.910 126.910 124.930 1.980 19955 7192 1 10 . 1 1 812 812 LEU C C 812 172.269 172.269 175.058 -2.789 19955 7193 1 10 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.214 -0.703 19955 7194 1 10 . 1 1 812 812 LEU CB C 812 45.092 45.092 42.853 2.239 19955 7195 1 10 . 1 1 812 812 LEU H H 812 9.168 9.168 8.069 1.099 19955 7196 1 10 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.746 -0.309 19955 7197 1 10 . 1 1 813 813 PRO C C 813 176.755 176.755 175.315 1.440 19955 7198 1 10 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.588 -0.042 19955 7199 1 10 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.677 -0.702 19955 7200 1 10 . 1 1 814 814 LEU N N 814 118.726 118.726 122.064 -3.338 19955 7201 1 10 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.764 -0.118 19955 7202 1 10 . 1 1 814 814 LEU C C 814 176.452 176.452 175.489 0.963 19955 7203 1 10 . 1 1 814 814 LEU CA C 814 53.391 53.391 54.197 -0.806 19955 7204 1 10 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.991 -0.095 19955 7205 1 10 . 1 1 814 814 LEU H H 814 8.532 8.532 8.713 -0.181 19955 7206 1 10 . 1 1 815 815 GLN N N 815 123.473 123.473 122.203 1.270 19955 7207 1 10 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.770 -0.019 19955 7208 1 10 . 1 1 815 815 GLN C C 815 174.820 174.820 174.503 0.317 19955 7209 1 10 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.390 -0.054 19955 7210 1 10 . 1 1 815 815 GLN CB C 815 31.094 31.094 31.461 -0.367 19955 7211 1 10 . 1 1 815 815 GLN H H 815 8.938 8.938 8.821 0.117 19955 7212 1 10 . 1 1 816 816 LYS N N 816 122.982 122.982 124.955 -1.973 19955 7213 1 10 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.795 -0.680 19955 7214 1 10 . 1 1 816 816 LYS C C 816 177.030 177.030 176.717 0.313 19955 7215 1 10 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.191 0.485 19955 7216 1 10 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.148 1.094 19955 7217 1 10 . 1 1 816 816 LYS H H 816 8.888 8.888 9.022 -0.134 19955 7218 1 10 . 1 1 817 817 GLY N N 817 115.370 115.370 114.409 0.961 19955 7219 1 10 . 1 1 817 817 GLY C C 817 174.271 174.271 174.548 -0.277 19955 7220 1 10 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.702 -0.041 19955 7221 1 10 . 1 1 817 817 GLY H H 817 8.870 8.870 8.956 -0.086 19955 7222 1 10 . 1 1 818 818 ASP N N 818 123.102 123.102 122.644 0.458 19955 7223 1 10 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.622 -0.293 19955 7224 1 10 . 1 1 818 818 ASP C C 818 175.076 175.076 176.182 -1.106 19955 7225 1 10 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.656 0.939 19955 7226 1 10 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.822 -0.284 19955 7227 1 10 . 1 1 818 818 ASP H H 818 8.468 8.468 8.370 0.098 19955 7228 1 10 . 1 1 819 819 ILE N N 819 121.053 121.053 124.954 -3.901 19955 7229 1 10 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.557 0.263 19955 7230 1 10 . 1 1 819 819 ILE C C 819 175.630 175.630 176.094 -0.464 19955 7231 1 10 . 1 1 819 819 ILE CA C 819 58.602 58.602 59.687 -1.085 19955 7232 1 10 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.224 -0.683 19955 7233 1 10 . 1 1 819 819 ILE H H 819 8.286 8.286 8.172 0.114 19955 7234 1 10 . 1 1 820 820 VAL N N 820 124.554 124.554 120.162 4.392 19955 7235 1 10 . 1 1 820 820 VAL HA H 820 4.679 4.679 5.207 -0.528 19955 7236 1 10 . 1 1 820 820 VAL C C 820 172.751 172.751 174.136 -1.385 19955 7237 1 10 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.970 -1.109 19955 7238 1 10 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.736 -1.364 19955 7239 1 10 . 1 1 820 820 VAL H H 820 8.717 8.717 8.848 -0.131 19955 7240 1 10 . 1 1 821 821 TYR N N 821 120.296 120.296 121.486 -1.190 19955 7241 1 10 . 1 1 821 821 TYR HA H 821 4.803 4.803 4.880 -0.077 19955 7242 1 10 . 1 1 821 821 TYR C C 821 175.760 175.760 175.891 -0.131 19955 7243 1 10 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.901 -0.063 19955 7244 1 10 . 1 1 821 821 TYR CB C 821 40.132 40.132 39.953 0.179 19955 7245 1 10 . 1 1 821 821 TYR H H 821 8.360 8.360 9.017 -0.657 19955 7246 1 10 . 1 1 822 822 ILE N N 822 123.440 123.440 125.291 -1.851 19955 7247 1 10 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.513 -0.648 19955 7248 1 10 . 1 1 822 822 ILE C C 822 176.541 176.541 176.201 0.340 19955 7249 1 10 . 1 1 822 822 ILE CA C 822 62.327 62.327 62.069 0.258 19955 7250 1 10 . 1 1 822 822 ILE CB C 822 39.429 39.429 38.267 1.162 19955 7251 1 10 . 1 1 822 822 ILE H H 822 8.991 8.991 8.436 0.555 19955 7252 1 10 . 1 1 823 823 TYR N N 823 127.197 127.197 126.260 0.937 19955 7253 1 10 . 1 1 823 823 TYR HA H 823 5.068 5.068 5.022 0.046 19955 7254 1 10 . 1 1 823 823 TYR C C 823 176.327 176.327 174.886 1.441 19955 7255 1 10 . 1 1 823 823 TYR CA C 823 56.331 56.331 55.956 0.375 19955 7256 1 10 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.697 -2.412 19955 7257 1 10 . 1 1 823 823 TYR H H 823 9.699 9.699 8.319 1.380 19955 7258 1 10 . 1 1 824 824 LYS N N 824 113.691 113.691 120.280 -6.589 19955 7259 1 10 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.195 0.469 19955 7260 1 10 . 1 1 824 824 LYS C C 824 174.044 174.044 173.477 0.567 19955 7261 1 10 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.718 -0.417 19955 7262 1 10 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.576 0.528 19955 7263 1 10 . 1 1 824 824 LYS H H 824 7.904 7.904 7.150 0.754 19955 7264 1 10 . 1 1 825 825 GLN N N 825 122.998 122.998 124.868 -1.870 19955 7265 1 10 . 1 1 825 825 GLN HA H 825 4.614 4.614 3.794 0.820 19955 7266 1 10 . 1 1 825 825 GLN C C 825 175.372 175.372 174.529 0.843 19955 7267 1 10 . 1 1 825 825 GLN CA C 825 55.970 55.970 55.841 0.129 19955 7268 1 10 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.063 -0.049 19955 7269 1 10 . 1 1 825 825 GLN H H 825 9.091 9.091 8.462 0.629 19955 7270 1 10 . 1 1 826 826 ILE N N 826 126.911 126.911 125.776 1.135 19955 7271 1 10 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.082 -0.132 19955 7272 1 10 . 1 1 826 826 ILE C C 826 175.447 175.447 176.438 -0.991 19955 7273 1 10 . 1 1 826 826 ILE CA C 826 62.062 62.062 61.561 0.501 19955 7274 1 10 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.544 -0.365 19955 7275 1 10 . 1 1 826 826 ILE H H 826 8.356 8.356 8.020 0.336 19955 7276 1 10 . 1 1 827 827 ASP N N 827 118.575 118.575 117.539 1.036 19955 7277 1 10 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.956 -0.537 19955 7278 1 10 . 1 1 827 827 ASP C C 827 175.673 175.673 176.298 -0.625 19955 7279 1 10 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.625 0.630 19955 7280 1 10 . 1 1 827 827 ASP CB C 827 40.120 40.120 42.632 -2.512 19955 7281 1 10 . 1 1 827 827 ASP H H 827 7.952 7.952 8.015 -0.063 19955 7282 1 10 . 1 1 828 828 GLN N N 828 113.633 113.633 118.849 -5.216 19955 7283 1 10 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.199 -0.327 19955 7284 1 10 . 1 1 828 828 GLN C C 828 175.745 175.745 176.186 -0.441 19955 7285 1 10 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.503 -0.242 19955 7286 1 10 . 1 1 828 828 GLN CB C 828 28.498 28.498 29.075 -0.577 19955 7287 1 10 . 1 1 828 828 GLN H H 828 8.468 8.468 8.742 -0.274 19955 7288 1 10 . 1 1 829 829 ASN N N 829 114.412 114.412 114.009 0.403 19955 7289 1 10 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.777 -0.035 19955 7290 1 10 . 1 1 829 829 ASN C C 829 175.652 175.652 173.578 2.074 19955 7291 1 10 . 1 1 829 829 ASN CA C 829 53.641 53.641 53.143 0.498 19955 7292 1 10 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.162 2.653 19955 7293 1 10 . 1 1 829 829 ASN H H 829 8.799 8.799 8.272 0.527 19955 7294 1 10 . 1 1 830 830 TRP N N 830 121.661 121.661 118.348 3.313 19955 7295 1 10 . 1 1 830 830 TRP HA H 830 4.810 4.810 5.027 -0.217 19955 7296 1 10 . 1 1 830 830 TRP C C 830 175.077 175.077 175.058 0.019 19955 7297 1 10 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.717 0.574 19955 7298 1 10 . 1 1 830 830 TRP CB C 830 32.570 32.570 32.155 0.415 19955 7299 1 10 . 1 1 830 830 TRP H H 830 8.033 8.033 7.309 0.724 19955 7300 1 10 . 1 1 831 831 TYR N N 831 120.163 120.163 121.212 -1.049 19955 7301 1 10 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.685 0.360 19955 7302 1 10 . 1 1 831 831 TYR C C 831 173.672 173.672 173.174 0.498 19955 7303 1 10 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.928 -0.556 19955 7304 1 10 . 1 1 831 831 TYR CB C 831 42.726 42.726 43.602 -0.876 19955 7305 1 10 . 1 1 831 831 TYR H H 831 8.721 8.721 9.197 -0.476 19955 7306 1 10 . 1 1 832 832 GLU N N 832 117.935 117.935 120.109 -2.174 19955 7307 1 10 . 1 1 832 832 GLU HA H 832 4.937 4.937 4.667 0.270 19955 7308 1 10 . 1 1 832 832 GLU C C 832 176.121 176.121 174.606 1.515 19955 7309 1 10 . 1 1 832 832 GLU CA C 832 54.404 54.404 53.980 0.424 19955 7310 1 10 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.798 0.157 19955 7311 1 10 . 1 1 832 832 GLU H H 832 8.696 8.696 7.996 0.700 19955 7312 1 10 . 1 1 833 833 GLY N N 833 115.171 115.171 111.062 4.109 19955 7313 1 10 . 1 1 833 833 GLY C C 833 168.962 168.962 171.984 -3.022 19955 7314 1 10 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.586 1.037 19955 7315 1 10 . 1 1 833 833 GLY H H 833 9.063 9.063 8.042 1.021 19955 7316 1 10 . 1 1 834 834 GLU N N 834 117.849 117.849 121.213 -3.364 19955 7317 1 10 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.696 -0.007 19955 7318 1 10 . 1 1 834 834 GLU C C 834 175.077 175.077 175.599 -0.522 19955 7319 1 10 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.489 -0.523 19955 7320 1 10 . 1 1 834 834 GLU CB C 834 35.044 35.044 32.814 2.230 19955 7321 1 10 . 1 1 834 834 GLU H H 834 8.708 8.708 9.265 -0.557 19955 7322 1 10 . 1 1 835 835 HIS N N 835 120.973 120.973 124.749 -3.776 19955 7323 1 10 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.201 -0.367 19955 7324 1 10 . 1 1 835 835 HIS C C 835 174.509 174.509 175.154 -0.645 19955 7325 1 10 . 1 1 835 835 HIS CA C 835 56.249 56.249 54.907 1.342 19955 7326 1 10 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.476 0.735 19955 7327 1 10 . 1 1 835 835 HIS H H 835 8.799 8.799 9.519 -0.720 19955 7328 1 10 . 1 1 836 836 HIS N N 836 125.728 125.728 124.689 1.039 19955 7329 1 10 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.124 0.042 19955 7330 1 10 . 1 1 836 836 HIS C C 836 175.012 175.012 175.344 -0.332 19955 7331 1 10 . 1 1 836 836 HIS CA C 836 55.689 55.689 56.993 -1.304 19955 7332 1 10 . 1 1 836 836 HIS CB C 836 27.994 27.994 27.762 0.232 19955 7333 1 10 . 1 1 836 836 HIS H H 836 9.163 9.163 9.168 -0.005 19955 7334 1 10 . 1 1 837 837 GLY N N 837 104.909 104.909 103.457 1.452 19955 7335 1 10 . 1 1 837 837 GLY C C 837 173.235 173.235 173.643 -0.408 19955 7336 1 10 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.072 0.582 19955 7337 1 10 . 1 1 837 837 GLY H H 837 9.070 9.070 8.549 0.521 19955 7338 1 10 . 1 1 838 838 ARG N N 838 122.925 122.925 119.201 3.724 19955 7339 1 10 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.734 -0.141 19955 7340 1 10 . 1 1 838 838 ARG C C 838 173.682 173.682 174.360 -0.678 19955 7341 1 10 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.770 0.111 19955 7342 1 10 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.901 -1.843 19955 7343 1 10 . 1 1 838 838 ARG H H 838 7.814 7.814 7.945 -0.131 19955 7344 1 10 . 1 1 839 839 VAL N N 839 123.572 123.572 121.300 2.272 19955 7345 1 10 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.275 -0.141 19955 7346 1 10 . 1 1 839 839 VAL C C 839 177.296 177.296 175.695 1.601 19955 7347 1 10 . 1 1 839 839 VAL CA C 839 60.200 60.200 61.490 -1.290 19955 7348 1 10 . 1 1 839 839 VAL CB C 839 33.994 33.994 34.472 -0.478 19955 7349 1 10 . 1 1 839 839 VAL H H 839 8.360 8.360 8.738 -0.378 19955 7350 1 10 . 1 1 840 840 GLY N N 840 114.006 114.006 114.502 -0.496 19955 7351 1 10 . 1 1 840 840 GLY C C 840 171.246 171.246 171.745 -0.499 19955 7352 1 10 . 1 1 840 840 GLY CA C 840 45.896 45.896 44.998 0.898 19955 7353 1 10 . 1 1 840 840 GLY H H 840 8.951 8.951 8.398 0.553 19955 7354 1 10 . 1 1 841 841 ILE N N 841 112.496 112.496 115.239 -2.743 19955 7355 1 10 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.762 1.119 19955 7356 1 10 . 1 1 841 841 ILE C C 841 176.120 176.120 173.838 2.282 19955 7357 1 10 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.502 0.865 19955 7358 1 10 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.796 -0.879 19955 7359 1 10 . 1 1 841 841 ILE H H 841 8.434 8.434 8.220 0.214 19955 7360 1 10 . 1 1 842 842 PHE N N 842 116.289 116.289 115.759 0.530 19955 7361 1 10 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.823 0.148 19955 7362 1 10 . 1 1 842 842 PHE C C 842 171.777 171.777 172.429 -0.652 19955 7363 1 10 . 1 1 842 842 PHE CA C 842 54.265 54.265 55.556 -1.290 19955 7364 1 10 . 1 1 842 842 PHE CB C 842 37.515 37.515 39.467 -1.952 19955 7365 1 10 . 1 1 842 842 PHE H H 842 8.408 8.408 8.224 0.184 19955 7366 1 10 . 1 1 843 843 PRO HA H 843 3.934 3.934 4.291 -0.357 19955 7367 1 10 . 1 1 843 843 PRO C C 843 178.228 178.228 177.783 0.445 19955 7368 1 10 . 1 1 843 843 PRO CA C 843 61.613 61.613 61.968 -0.355 19955 7369 1 10 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.178 0.217 19955 7370 1 10 . 1 1 844 844 ARG N N 844 122.291 122.291 124.992 -2.701 19955 7371 1 10 . 1 1 844 844 ARG HA H 844 3.944 3.944 3.902 0.042 19955 7372 1 10 . 1 1 844 844 ARG C C 844 178.171 178.171 177.879 0.292 19955 7373 1 10 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.008 -0.390 19955 7374 1 10 . 1 1 844 844 ARG CB C 844 30.297 30.297 28.908 1.389 19955 7375 1 10 . 1 1 844 844 ARG H H 844 7.906 7.906 8.061 -0.155 19955 7376 1 10 . 1 1 845 845 THR N N 845 105.068 105.068 110.986 -5.918 19955 7377 1 10 . 1 1 845 845 THR HA H 845 4.159 4.159 4.194 -0.035 19955 7378 1 10 . 1 1 845 845 THR C C 845 175.363 175.363 175.077 0.286 19955 7379 1 10 . 1 1 845 845 THR CA C 845 63.035 63.035 64.554 -1.519 19955 7380 1 10 . 1 1 845 845 THR CB C 845 69.022 69.022 68.685 0.337 19955 7381 1 10 . 1 1 845 845 THR H H 845 7.907 7.907 7.826 0.081 19955 7382 1 10 . 1 1 846 846 TYR N N 846 118.977 118.977 120.160 -1.183 19955 7383 1 10 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.711 -0.176 19955 7384 1 10 . 1 1 846 846 TYR C C 846 174.917 174.917 174.237 0.680 19955 7385 1 10 . 1 1 846 846 TYR CA C 846 58.751 58.751 58.719 0.032 19955 7386 1 10 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.670 -1.615 19955 7387 1 10 . 1 1 846 846 TYR H H 846 7.611 7.611 8.464 -0.853 19955 7388 1 10 . 1 1 847 847 ILE N N 847 113.230 113.230 112.153 1.077 19955 7389 1 10 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.131 -0.032 19955 7390 1 10 . 1 1 847 847 ILE C C 847 174.141 174.141 174.337 -0.196 19955 7391 1 10 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.343 -0.889 19955 7392 1 10 . 1 1 847 847 ILE CB C 847 42.191 42.191 41.887 0.304 19955 7393 1 10 . 1 1 847 847 ILE H H 847 7.390 7.390 7.121 0.269 19955 7394 1 10 . 1 1 848 848 GLU N N 848 121.909 121.909 118.252 3.657 19955 7395 1 10 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.599 -0.051 19955 7396 1 10 . 1 1 848 848 GLU C C 848 175.193 175.193 175.532 -0.339 19955 7397 1 10 . 1 1 848 848 GLU CA C 848 53.664 53.664 53.778 -0.114 19955 7398 1 10 . 1 1 848 848 GLU CB C 848 32.624 32.624 32.594 0.030 19955 7399 1 10 . 1 1 848 848 GLU H H 848 8.786 8.786 8.677 0.109 19955 7400 1 10 . 1 1 849 849 LEU N N 849 126.431 126.431 123.117 3.314 19955 7401 1 10 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.428 -0.337 19955 7402 1 10 . 1 1 849 849 LEU C C 849 177.019 177.019 176.277 0.742 19955 7403 1 10 . 1 1 849 849 LEU CA C 849 55.667 55.667 53.689 1.978 19955 7404 1 10 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.362 -0.820 19955 7405 1 10 . 1 1 849 849 LEU H H 849 8.730 8.730 8.350 0.380 19955 7406 1 10 . 1 1 850 850 LEU N N 850 123.942 123.942 126.117 -2.175 19955 7407 1 10 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.053 0.509 19955 7408 1 10 . 1 1 850 850 LEU C C 850 174.453 174.453 174.158 0.295 19955 7409 1 10 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.449 -1.644 19955 7410 1 10 . 1 1 850 850 LEU CB C 850 40.963 40.963 40.919 0.044 19955 7411 1 10 . 1 1 850 850 LEU H H 850 7.846 7.846 8.759 -0.913 19955 7412 1 10 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.281 0.048 19955 7413 1 10 . 1 1 852 852 PRO C C 852 176.580 176.580 176.811 -0.231 19955 7414 1 10 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.610 -0.707 19955 7415 1 10 . 1 1 852 852 PRO CB C 852 31.765 31.765 31.974 -0.208 19955 7416 1 10 . 1 1 853 853 ALA N N 853 124.102 124.102 125.390 -1.288 19955 7417 1 10 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.281 -0.041 19955 7418 1 10 . 1 1 853 853 ALA C C 853 177.767 177.767 177.301 0.466 19955 7419 1 10 . 1 1 853 853 ALA CA C 853 52.258 52.258 52.699 -0.441 19955 7420 1 10 . 1 1 853 853 ALA CB C 853 19.516 19.516 19.285 0.231 19955 7421 1 10 . 1 1 853 853 ALA H H 853 8.354 8.354 8.233 0.121 19955 7422 1 10 . 1 1 854 854 GLU N N 854 120.540 120.540 122.174 -1.634 19955 7423 1 10 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.319 -0.116 19955 7424 1 10 . 1 1 854 854 GLU C C 854 176.402 176.402 175.909 0.493 19955 7425 1 10 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.171 0.209 19955 7426 1 10 . 1 1 854 854 GLU CB C 854 30.432 30.432 30.006 0.426 19955 7427 1 10 . 1 1 854 854 GLU H H 854 8.348 8.348 8.493 -0.145 19955 7428 1 10 . 1 1 855 855 LYS N N 855 122.717 122.717 121.033 1.684 19955 7429 1 10 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.170 0.045 19955 7430 1 10 . 1 1 855 855 LYS C C 855 176.078 176.078 176.508 -0.430 19955 7431 1 10 . 1 1 855 855 LYS CA C 855 56.018 56.018 56.916 -0.898 19955 7432 1 10 . 1 1 855 855 LYS CB C 855 33.187 33.187 32.248 0.939 19955 7433 1 10 . 1 1 855 855 LYS H H 855 8.305 8.305 8.429 -0.124 19955 7434 1 10 . 1 1 856 856 ALA N N 856 125.584 125.584 122.150 3.434 19955 7435 1 10 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.098 0.143 19955 7436 1 10 . 1 1 856 856 ALA C C 856 177.276 177.276 175.910 1.366 19955 7437 1 10 . 1 1 856 856 ALA CA C 856 52.046 52.046 52.829 -0.783 19955 7438 1 10 . 1 1 856 856 ALA CB C 856 19.294 19.294 18.864 0.430 19955 7439 1 10 . 1 1 856 856 ALA H H 856 8.219 8.219 7.609 0.610 19955 7440 1 10 . 1 1 857 857 GLN N N 857 121.223 121.223 118.159 3.064 19955 7441 1 10 . 1 1 857 857 GLN C C 857 173.964 173.964 174.344 -0.380 19955 7442 1 10 . 1 1 857 857 GLN CA C 857 53.490 53.490 54.023 -0.533 19955 7443 1 10 . 1 1 857 857 GLN CB C 857 29.040 29.040 28.829 0.211 19955 7444 1 10 . 1 1 857 857 GLN H H 857 8.333 8.333 8.299 0.034 19955 7445 1 10 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.560 -0.222 19955 7446 1 10 . 1 1 858 858 PRO C C 858 176.696 176.696 176.292 0.404 19955 7447 1 10 . 1 1 858 858 PRO CA C 858 62.910 62.910 62.809 0.102 19955 7448 1 10 . 1 1 858 858 PRO CB C 858 32.075 32.075 31.015 1.060 19955 7449 1 10 . 1 1 859 859 LYS N N 859 121.891 121.891 119.141 2.750 19955 7450 1 10 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.364 -0.174 19955 7451 1 10 . 1 1 859 859 LYS C C 859 176.382 176.382 178.069 -1.687 19955 7452 1 10 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.770 -0.640 19955 7453 1 10 . 1 1 859 859 LYS CB C 859 33.070 33.070 33.518 -0.448 19955 7454 1 10 . 1 1 859 859 LYS H H 859 8.355 8.355 8.098 0.257 19955 7455 1 10 . 1 1 860 860 LYS N N 860 123.002 123.002 118.963 4.039 19955 7456 1 10 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.129 0.116 19955 7457 1 10 . 1 1 860 860 LYS C C 860 176.131 176.131 176.383 -0.252 19955 7458 1 10 . 1 1 860 860 LYS CA C 860 55.852 55.852 58.071 -2.219 19955 7459 1 10 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.275 0.873 19955 7460 1 10 . 1 1 860 860 LYS H H 860 8.267 8.267 8.157 0.110 19955 7461 1 10 . 1 1 861 861 LEU N N 861 124.576 124.576 121.954 2.622 19955 7462 1 10 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.442 -0.086 19955 7463 1 10 . 1 1 861 861 LEU C C 861 177.069 177.069 176.059 1.010 19955 7464 1 10 . 1 1 861 861 LEU CA C 861 54.795 54.795 54.390 0.405 19955 7465 1 10 . 1 1 861 861 LEU CB C 861 42.350 42.350 41.292 1.058 19955 7466 1 10 . 1 1 861 861 LEU H H 861 8.316 8.316 7.738 0.578 19955 7467 1 10 . 1 1 862 862 THR N N 862 117.878 117.878 116.911 0.967 19955 7468 1 10 . 1 1 862 862 THR HA H 862 4.729 4.729 4.793 -0.064 19955 7469 1 10 . 1 1 862 862 THR C C 862 172.639 172.639 173.548 -0.909 19955 7470 1 10 . 1 1 862 862 THR CA C 862 59.644 59.644 59.749 -0.105 19955 7471 1 10 . 1 1 862 862 THR CB C 862 69.476 69.476 69.399 0.077 19955 7472 1 10 . 1 1 862 862 THR H H 862 8.162 8.162 7.794 0.368 19955 7473 1 10 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.420 -0.052 19955 7474 1 10 . 1 1 863 863 PRO C C 863 176.753 176.753 176.009 0.744 19955 7475 1 10 . 1 1 863 863 PRO CA C 863 63.192 63.192 64.337 -1.145 19955 7476 1 10 . 1 1 863 863 PRO CB C 863 32.058 32.058 31.643 0.415 19955 7477 1 10 . 1 1 864 864 VAL N N 864 120.359 120.359 113.109 7.250 19955 7478 1 10 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.554 -0.569 19955 7479 1 10 . 1 1 864 864 VAL C C 864 175.964 175.964 174.101 1.863 19955 7480 1 10 . 1 1 864 864 VAL CA C 864 62.342 62.342 59.926 2.416 19955 7481 1 10 . 1 1 864 864 VAL CB C 864 32.521 32.521 35.308 -2.787 19955 7482 1 10 . 1 1 864 864 VAL H H 864 8.102 8.102 7.496 0.606 19955 7483 1 10 . 1 1 865 865 GLN N N 865 124.642 124.642 119.556 5.086 19955 7484 1 10 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.739 -0.453 19955 7485 1 10 . 1 1 865 865 GLN C C 865 175.443 175.443 175.404 0.039 19955 7486 1 10 . 1 1 865 865 GLN CA C 865 55.595 55.595 54.989 0.606 19955 7487 1 10 . 1 1 865 865 GLN CB C 865 29.739 29.739 31.654 -1.915 19955 7488 1 10 . 1 1 865 865 GLN H H 865 8.333 8.333 8.301 0.032 19955 7489 1 10 . 1 1 866 866 VAL N N 866 123.436 123.436 121.542 1.894 19955 7490 1 10 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.355 -0.386 19955 7491 1 10 . 1 1 866 866 VAL C C 866 175.685 175.685 175.285 0.400 19955 7492 1 10 . 1 1 866 866 VAL CA C 866 62.398 62.398 61.887 0.511 19955 7493 1 10 . 1 1 866 866 VAL CB C 866 32.832 32.832 32.770 0.062 19955 7494 1 10 . 1 1 866 866 VAL H H 866 8.189 8.189 8.293 -0.104 19955 7495 1 10 . 1 1 867 867 LEU N N 867 127.515 127.515 127.366 0.149 19955 7496 1 10 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.538 -0.276 19955 7497 1 10 . 1 1 867 867 LEU C C 867 177.037 177.037 175.681 1.356 19955 7498 1 10 . 1 1 867 867 LEU CA C 867 55.688 55.688 53.560 2.128 19955 7499 1 10 . 1 1 867 867 LEU CB C 867 42.552 42.552 43.156 -0.604 19955 7500 1 10 . 1 1 867 867 LEU H H 867 8.679 8.679 8.463 0.216 19955 7501 1 10 . 1 1 868 868 GLU N N 868 120.794 120.794 122.003 -1.209 19955 7502 1 10 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.209 0.010 19955 7503 1 10 . 1 1 868 868 GLU C C 868 175.353 175.353 174.859 0.494 19955 7504 1 10 . 1 1 868 868 GLU CA C 868 55.753 55.753 55.971 -0.218 19955 7505 1 10 . 1 1 868 868 GLU CB C 868 31.419 31.419 30.626 0.793 19955 7506 1 10 . 1 1 868 868 GLU H H 868 8.272 8.272 8.238 0.034 19955 7507 1 10 . 1 1 869 869 TYR N N 869 121.165 121.165 122.789 -1.624 19955 7508 1 10 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.747 -0.047 19955 7509 1 10 . 1 1 869 869 TYR C C 869 176.824 176.824 176.238 0.586 19955 7510 1 10 . 1 1 869 869 TYR CA C 869 56.809 56.809 57.215 -0.406 19955 7511 1 10 . 1 1 869 869 TYR CB C 869 38.650 38.650 41.372 -2.722 19955 7512 1 10 . 1 1 869 869 TYR H H 869 8.003 8.003 8.284 -0.281 19955 7513 1 10 . 1 1 870 870 GLY N N 870 104.958 104.958 108.807 -3.849 19955 7514 1 10 . 1 1 870 870 GLY C C 870 173.846 173.846 173.551 0.295 19955 7515 1 10 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.790 -0.571 19955 7516 1 10 . 1 1 870 870 GLY H H 870 8.590 8.590 8.719 -0.129 19955 7517 1 10 . 1 1 871 871 GLU N N 871 122.341 122.341 119.571 2.770 19955 7518 1 10 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.167 0.055 19955 7519 1 10 . 1 1 871 871 GLU C C 871 173.827 173.827 174.650 -0.823 19955 7520 1 10 . 1 1 871 871 GLU CA C 871 55.859 55.859 55.349 0.510 19955 7521 1 10 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.387 0.547 19955 7522 1 10 . 1 1 871 871 GLU H H 871 9.246 9.246 7.895 1.351 19955 7523 1 10 . 1 1 872 872 ALA N N 872 126.709 126.709 123.672 3.037 19955 7524 1 10 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.355 -0.251 19955 7525 1 10 . 1 1 872 872 ALA C C 872 174.022 174.022 174.765 -0.743 19955 7526 1 10 . 1 1 872 872 ALA CA C 872 50.135 50.135 50.752 -0.617 19955 7527 1 10 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.938 1.560 19955 7528 1 10 . 1 1 872 872 ALA H H 872 9.266 9.266 8.864 0.402 19955 7529 1 10 . 1 1 873 873 ILE N N 873 118.554 118.554 119.636 -1.082 19955 7530 1 10 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.845 -0.231 19955 7531 1 10 . 1 1 873 873 ILE C C 873 176.132 176.132 174.890 1.242 19955 7532 1 10 . 1 1 873 873 ILE CA C 873 58.788 58.788 59.171 -0.383 19955 7533 1 10 . 1 1 873 873 ILE CB C 873 40.630 40.630 42.456 -1.826 19955 7534 1 10 . 1 1 873 873 ILE H H 873 8.522 8.522 8.429 0.093 19955 7535 1 10 . 1 1 874 874 ALA N N 874 129.739 129.739 130.250 -0.511 19955 7536 1 10 . 1 1 874 874 ALA HA H 874 4.037 4.037 3.421 0.616 19955 7537 1 10 . 1 1 874 874 ALA C C 874 178.259 178.259 176.445 1.814 19955 7538 1 10 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.659 0.678 19955 7539 1 10 . 1 1 874 874 ALA CB C 874 21.278 21.278 18.863 2.415 19955 7540 1 10 . 1 1 874 874 ALA H H 874 8.608 8.608 8.503 0.105 19955 7541 1 10 . 1 1 875 875 LYS N N 875 127.308 127.308 125.640 1.668 19955 7542 1 10 . 1 1 875 875 LYS HA H 875 4.024 4.024 4.183 -0.159 19955 7543 1 10 . 1 1 875 875 LYS C C 875 174.098 174.098 175.573 -1.475 19955 7544 1 10 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.337 -1.238 19955 7545 1 10 . 1 1 875 875 LYS CB C 875 33.984 33.984 34.330 -0.346 19955 7546 1 10 . 1 1 875 875 LYS H H 875 9.298 9.298 8.332 0.966 19955 7547 1 10 . 1 1 876 876 PHE N N 876 113.423 113.423 116.148 -2.725 19955 7548 1 10 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.815 0.096 19955 7549 1 10 . 1 1 876 876 PHE C C 876 174.050 174.050 173.868 0.182 19955 7550 1 10 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.487 -2.642 19955 7551 1 10 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.491 2.251 19955 7552 1 10 . 1 1 876 876 PHE H H 876 7.328 7.328 7.638 -0.310 19955 7553 1 10 . 1 1 877 877 ASN N N 877 116.437 116.437 122.414 -5.977 19955 7554 1 10 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.341 0.448 19955 7555 1 10 . 1 1 877 877 ASN C C 877 174.454 174.454 174.045 0.409 19955 7556 1 10 . 1 1 877 877 ASN CA C 877 53.535 53.535 54.728 -1.193 19955 7557 1 10 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.260 -0.053 19955 7558 1 10 . 1 1 877 877 ASN H H 877 8.666 8.666 8.570 0.096 19955 7559 1 10 . 1 1 878 878 PHE N N 878 123.179 123.179 126.699 -3.520 19955 7560 1 10 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.238 0.427 19955 7561 1 10 . 1 1 878 878 PHE C C 878 173.027 173.027 173.156 -0.129 19955 7562 1 10 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.163 -0.058 19955 7563 1 10 . 1 1 878 878 PHE CB C 878 42.086 42.086 41.461 0.625 19955 7564 1 10 . 1 1 878 878 PHE H H 878 8.433 8.433 7.931 0.502 19955 7565 1 10 . 1 1 879 879 ASN N N 879 127.113 127.113 125.312 1.801 19955 7566 1 10 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.566 -0.004 19955 7567 1 10 . 1 1 879 879 ASN C C 879 173.174 173.174 173.636 -0.462 19955 7568 1 10 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.865 -0.936 19955 7569 1 10 . 1 1 879 879 ASN CB C 879 39.387 39.387 40.259 -0.872 19955 7570 1 10 . 1 1 879 879 ASN H H 879 8.000 8.000 7.921 0.079 19955 7571 1 10 . 1 1 880 880 GLY N N 880 110.949 110.949 110.264 0.685 19955 7572 1 10 . 1 1 880 880 GLY C C 880 173.383 173.383 174.484 -1.101 19955 7573 1 10 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.550 1.108 19955 7574 1 10 . 1 1 880 880 GLY H H 880 7.997 7.997 8.508 -0.511 19955 7575 1 10 . 1 1 881 881 ASP N N 881 122.408 122.408 121.790 0.618 19955 7576 1 10 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.548 0.085 19955 7577 1 10 . 1 1 881 881 ASP C C 881 176.286 176.286 176.775 -0.489 19955 7578 1 10 . 1 1 881 881 ASP CA C 881 55.196 55.196 56.000 -0.804 19955 7579 1 10 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.210 1.930 19955 7580 1 10 . 1 1 881 881 ASP H H 881 8.796 8.796 8.559 0.237 19955 7581 1 10 . 1 1 882 882 THR N N 882 108.354 108.354 108.817 -0.463 19955 7582 1 10 . 1 1 882 882 THR HA H 882 4.583 4.583 4.756 -0.173 19955 7583 1 10 . 1 1 882 882 THR C C 882 175.948 175.948 174.942 1.006 19955 7584 1 10 . 1 1 882 882 THR CA C 882 60.352 60.352 59.882 0.470 19955 7585 1 10 . 1 1 882 882 THR CB C 882 71.649 71.649 71.541 0.108 19955 7586 1 10 . 1 1 882 882 THR H H 882 7.541 7.541 7.893 -0.352 19955 7587 1 10 . 1 1 883 883 GLN N N 883 118.622 118.622 118.557 0.065 19955 7588 1 10 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.067 0.085 19955 7589 1 10 . 1 1 883 883 GLN C C 883 176.478 176.478 176.260 0.218 19955 7590 1 10 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.323 -0.127 19955 7591 1 10 . 1 1 883 883 GLN CB C 883 28.669 28.669 27.968 0.701 19955 7592 1 10 . 1 1 883 883 GLN H H 883 8.710 8.710 8.807 -0.097 19955 7593 1 10 . 1 1 884 884 VAL N N 884 111.473 111.473 117.949 -6.476 19955 7594 1 10 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.830 0.377 19955 7595 1 10 . 1 1 884 884 VAL C C 884 176.430 176.430 176.429 0.001 19955 7596 1 10 . 1 1 884 884 VAL CA C 884 62.293 62.293 65.084 -2.791 19955 7597 1 10 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.927 -0.003 19955 7598 1 10 . 1 1 884 884 VAL H H 884 7.260 7.260 7.461 -0.201 19955 7599 1 10 . 1 1 885 885 GLU N N 885 121.794 121.794 116.751 5.043 19955 7600 1 10 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.776 0.132 19955 7601 1 10 . 1 1 885 885 GLU C C 885 175.369 175.369 176.072 -0.703 19955 7602 1 10 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.829 -0.519 19955 7603 1 10 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.337 1.452 19955 7604 1 10 . 1 1 885 885 GLU H H 885 7.455 7.455 7.754 -0.299 19955 7605 1 10 . 1 1 886 886 MET N N 886 125.473 125.473 125.115 0.358 19955 7606 1 10 . 1 1 886 886 MET HA H 886 4.534 4.534 4.427 0.107 19955 7607 1 10 . 1 1 886 886 MET C C 886 172.841 172.841 174.590 -1.749 19955 7608 1 10 . 1 1 886 886 MET CA C 886 54.129 54.129 54.799 -0.670 19955 7609 1 10 . 1 1 886 886 MET CB C 886 35.157 35.157 33.138 2.019 19955 7610 1 10 . 1 1 886 886 MET H H 886 8.996 8.996 8.484 0.512 19955 7611 1 10 . 1 1 887 887 SER N N 887 118.425 118.425 119.907 -1.482 19955 7612 1 10 . 1 1 887 887 SER HA H 887 4.402 4.402 4.428 -0.026 19955 7613 1 10 . 1 1 887 887 SER C C 887 174.667 174.667 173.257 1.410 19955 7614 1 10 . 1 1 887 887 SER CA C 887 58.612 58.612 57.070 1.542 19955 7615 1 10 . 1 1 887 887 SER CB C 887 64.186 64.186 64.445 -0.259 19955 7616 1 10 . 1 1 887 887 SER H H 887 7.888 7.888 8.035 -0.147 19955 7617 1 10 . 1 1 888 888 PHE N N 888 116.363 116.363 121.579 -5.216 19955 7618 1 10 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.948 -0.434 19955 7619 1 10 . 1 1 888 888 PHE C C 888 174.756 174.756 173.240 1.516 19955 7620 1 10 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.246 0.290 19955 7621 1 10 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.742 -0.940 19955 7622 1 10 . 1 1 888 888 PHE H H 888 8.780 8.780 8.416 0.364 19955 7623 1 10 . 1 1 889 889 ARG N N 889 121.944 121.944 119.833 2.111 19955 7624 1 10 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.706 0.266 19955 7625 1 10 . 1 1 889 889 ARG C C 889 175.318 175.318 175.965 -0.647 19955 7626 1 10 . 1 1 889 889 ARG CA C 889 53.298 53.298 53.967 -0.668 19955 7627 1 10 . 1 1 889 889 ARG CB C 889 32.886 32.886 33.656 -0.770 19955 7628 1 10 . 1 1 889 889 ARG H H 889 10.187 10.187 8.642 1.545 19955 7629 1 10 . 1 1 890 890 LYS N N 890 119.991 119.991 121.815 -1.824 19955 7630 1 10 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.728 -0.480 19955 7631 1 10 . 1 1 890 890 LYS C C 890 176.504 176.504 177.834 -1.330 19955 7632 1 10 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.384 0.012 19955 7633 1 10 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.505 0.323 19955 7634 1 10 . 1 1 890 890 LYS H H 890 8.360 8.360 8.658 -0.298 19955 7635 1 10 . 1 1 891 891 GLY N N 891 113.950 113.950 113.885 0.065 19955 7636 1 10 . 1 1 891 891 GLY C C 891 174.298 174.298 174.354 -0.056 19955 7637 1 10 . 1 1 891 891 GLY CA C 891 44.668 44.668 44.971 -0.303 19955 7638 1 10 . 1 1 891 891 GLY H H 891 8.673 8.673 8.553 0.120 19955 7639 1 10 . 1 1 892 892 GLU N N 892 119.511 119.511 121.313 -1.802 19955 7640 1 10 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.329 -0.213 19955 7641 1 10 . 1 1 892 892 GLU C C 892 174.618 174.618 175.948 -1.330 19955 7642 1 10 . 1 1 892 892 GLU CA C 892 59.515 59.515 56.017 3.498 19955 7643 1 10 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.718 -0.137 19955 7644 1 10 . 1 1 892 892 GLU H H 892 7.856 7.856 7.834 0.022 19955 7645 1 10 . 1 1 893 893 ARG N N 893 122.979 122.979 121.418 1.561 19955 7646 1 10 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.825 -0.228 19955 7647 1 10 . 1 1 893 893 ARG C C 893 174.836 174.836 175.940 -1.104 19955 7648 1 10 . 1 1 893 893 ARG CA C 893 55.528 55.528 55.970 -0.442 19955 7649 1 10 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.649 -0.609 19955 7650 1 10 . 1 1 893 893 ARG H H 893 8.120 8.120 8.540 -0.420 19955 7651 1 10 . 1 1 894 894 ILE N N 894 122.659 122.659 123.516 -0.857 19955 7652 1 10 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.336 -0.273 19955 7653 1 10 . 1 1 894 894 ILE C C 894 175.789 175.789 174.382 1.407 19955 7654 1 10 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.040 0.226 19955 7655 1 10 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.124 1.303 19955 7656 1 10 . 1 1 894 894 ILE H H 894 8.586 8.586 9.038 -0.452 19955 7657 1 10 . 1 1 895 895 THR N N 895 124.709 124.709 122.086 2.623 19955 7658 1 10 . 1 1 895 895 THR HA H 895 4.441 4.441 4.811 -0.370 19955 7659 1 10 . 1 1 895 895 THR C C 895 174.124 174.124 174.387 -0.263 19955 7660 1 10 . 1 1 895 895 THR CA C 895 62.837 62.837 61.502 1.335 19955 7661 1 10 . 1 1 895 895 THR CB C 895 69.246 69.246 69.281 -0.035 19955 7662 1 10 . 1 1 895 895 THR H H 895 9.078 9.078 8.878 0.200 19955 7663 1 10 . 1 1 896 896 LEU N N 896 122.648 122.648 128.137 -5.489 19955 7664 1 10 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.517 -0.128 19955 7665 1 10 . 1 1 896 896 LEU C C 896 174.836 174.836 176.448 -1.612 19955 7666 1 10 . 1 1 896 896 LEU H H 896 8.583 8.583 8.101 0.482 19955 7667 1 10 . 1 1 897 897 LEU N N 897 124.502 124.502 124.859 -0.357 19955 7668 1 10 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.654 -0.322 19955 7669 1 10 . 1 1 897 897 LEU C C 897 176.645 176.645 177.135 -0.490 19955 7670 1 10 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.657 0.569 19955 7671 1 10 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.413 -1.082 19955 7672 1 10 . 1 1 897 897 LEU H H 897 8.984 8.984 8.502 0.482 19955 7673 1 10 . 1 1 898 898 ARG N N 898 108.422 108.422 113.985 -5.563 19955 7674 1 10 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.609 -0.167 19955 7675 1 10 . 1 1 898 898 ARG C C 898 173.645 173.645 173.016 0.629 19955 7676 1 10 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.021 0.220 19955 7677 1 10 . 1 1 898 898 ARG CB C 898 31.609 31.609 31.750 -0.141 19955 7678 1 10 . 1 1 898 898 ARG H H 898 7.413 7.413 7.553 -0.141 19955 7679 1 10 . 1 1 899 899 GLN N N 899 124.503 124.503 120.360 4.143 19955 7680 1 10 . 1 1 899 899 GLN HA H 899 4.192 4.192 3.397 0.795 19955 7681 1 10 . 1 1 899 899 GLN C C 899 175.142 175.142 175.366 -0.224 19955 7682 1 10 . 1 1 899 899 GLN CA C 899 56.296 56.296 54.521 1.775 19955 7683 1 10 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.530 -1.041 19955 7684 1 10 . 1 1 899 899 GLN H H 899 9.301 9.301 8.381 0.920 19955 7685 1 10 . 1 1 900 900 VAL N N 900 129.109 129.109 125.855 3.254 19955 7686 1 10 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.782 -0.116 19955 7687 1 10 . 1 1 900 900 VAL C C 900 175.298 175.298 176.244 -0.946 19955 7688 1 10 . 1 1 900 900 VAL CA C 900 64.773 64.773 63.997 0.776 19955 7689 1 10 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.157 0.664 19955 7690 1 10 . 1 1 900 900 VAL H H 900 8.475 8.475 8.101 0.374 19955 7691 1 10 . 1 1 901 901 ASP N N 901 118.573 118.573 116.239 2.334 19955 7692 1 10 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.886 -0.490 19955 7693 1 10 . 1 1 901 901 ASP C C 901 175.386 175.386 176.270 -0.884 19955 7694 1 10 . 1 1 901 901 ASP CA C 901 53.300 53.300 53.041 0.259 19955 7695 1 10 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.649 -2.486 19955 7696 1 10 . 1 1 901 901 ASP H H 901 8.038 8.038 7.651 0.387 19955 7697 1 10 . 1 1 902 902 GLU N N 902 114.492 114.492 119.796 -5.304 19955 7698 1 10 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.195 -0.363 19955 7699 1 10 . 1 1 902 902 GLU C C 902 175.973 175.973 176.539 -0.566 19955 7700 1 10 . 1 1 902 902 GLU CA C 902 59.095 59.095 59.245 -0.150 19955 7701 1 10 . 1 1 902 902 GLU CB C 902 29.507 29.507 29.918 -0.411 19955 7702 1 10 . 1 1 902 902 GLU H H 902 8.784 8.784 8.583 0.201 19955 7703 1 10 . 1 1 903 903 ASN N N 903 113.835 113.835 114.754 -0.919 19955 7704 1 10 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.956 -0.092 19955 7705 1 10 . 1 1 903 903 ASN C C 903 175.238 175.238 173.224 2.014 19955 7706 1 10 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.774 1.026 19955 7707 1 10 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.329 2.881 19955 7708 1 10 . 1 1 903 903 ASN H H 903 8.763 8.763 8.417 0.346 19955 7709 1 10 . 1 1 904 904 TRP N N 904 121.517 121.517 119.161 2.356 19955 7710 1 10 . 1 1 904 904 TRP HA H 904 4.950 4.950 4.873 0.077 19955 7711 1 10 . 1 1 904 904 TRP C C 904 175.223 175.223 175.038 0.185 19955 7712 1 10 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.870 0.309 19955 7713 1 10 . 1 1 904 904 TRP CB C 904 31.286 31.286 33.036 -1.750 19955 7714 1 10 . 1 1 904 904 TRP H H 904 8.141 8.141 7.403 0.738 19955 7715 1 10 . 1 1 905 905 TYR N N 905 121.365 121.365 120.359 1.006 19955 7716 1 10 . 1 1 905 905 TYR HA H 905 4.916 4.916 4.666 0.250 19955 7717 1 10 . 1 1 905 905 TYR C C 905 173.702 173.702 172.915 0.787 19955 7718 1 10 . 1 1 905 905 TYR CA C 905 56.460 56.460 57.471 -1.011 19955 7719 1 10 . 1 1 905 905 TYR CB C 905 43.401 43.401 43.323 0.078 19955 7720 1 10 . 1 1 905 905 TYR H H 905 8.550 8.550 8.625 -0.075 19955 7721 1 10 . 1 1 906 906 GLU N N 906 117.356 117.356 123.744 -6.388 19955 7722 1 10 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.885 -0.000 19955 7723 1 10 . 1 1 906 906 GLU C C 906 176.159 176.159 174.945 1.214 19955 7724 1 10 . 1 1 906 906 GLU CA C 906 54.795 54.795 54.234 0.561 19955 7725 1 10 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.494 -0.904 19955 7726 1 10 . 1 1 906 906 GLU H H 906 8.707 8.707 8.447 0.260 19955 7727 1 10 . 1 1 907 907 GLY N N 907 114.506 114.506 111.922 2.584 19955 7728 1 10 . 1 1 907 907 GLY C C 907 169.408 169.408 171.882 -2.474 19955 7729 1 10 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.495 0.239 19955 7730 1 10 . 1 1 907 907 GLY H H 907 9.334 9.334 8.920 0.414 19955 7731 1 10 . 1 1 908 908 ARG N N 908 114.660 114.660 116.989 -2.329 19955 7732 1 10 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.317 0.060 19955 7733 1 10 . 1 1 908 908 ARG C C 908 173.981 173.981 174.738 -0.757 19955 7734 1 10 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.517 -0.240 19955 7735 1 10 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.013 0.576 19955 7736 1 10 . 1 1 908 908 ARG H H 908 8.694 8.694 8.578 0.116 19955 7737 1 10 . 1 1 909 909 ILE N N 909 124.579 124.579 122.241 2.338 19955 7738 1 10 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.634 0.285 19955 7739 1 10 . 1 1 909 909 ILE C C 909 175.024 175.024 174.847 0.177 19955 7740 1 10 . 1 1 909 909 ILE CA C 909 56.699 56.699 59.122 -2.423 19955 7741 1 10 . 1 1 909 909 ILE CB C 909 35.387 35.387 38.449 -3.062 19955 7742 1 10 . 1 1 909 909 ILE H H 909 7.757 7.757 8.343 -0.586 19955 7743 1 10 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.349 0.280 19955 7744 1 10 . 1 1 910 910 PRO C C 910 176.353 176.353 177.824 -1.471 19955 7745 1 10 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.015 -11.217 19955 7746 1 10 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.741 -1.333 19955 7747 1 10 . 1 1 911 911 GLY N N 911 118.118 118.118 110.866 7.252 19955 7748 1 10 . 1 1 911 911 GLY C C 911 173.987 173.987 174.484 -0.497 19955 7749 1 10 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.141 0.191 19955 7750 1 10 . 1 1 911 911 GLY H H 911 7.869 7.869 8.701 -0.832 19955 7751 1 10 . 1 1 912 912 THR N N 912 109.041 109.041 113.010 -3.969 19955 7752 1 10 . 1 1 912 912 THR HA H 912 4.469 4.469 3.796 0.673 19955 7753 1 10 . 1 1 912 912 THR C C 912 174.144 174.144 174.503 -0.359 19955 7754 1 10 . 1 1 912 912 THR CA C 912 60.194 60.194 62.663 -2.469 19955 7755 1 10 . 1 1 912 912 THR CB C 912 72.812 72.812 67.720 5.092 19955 7756 1 10 . 1 1 912 912 THR H H 912 7.743 7.743 8.160 -0.417 19955 7757 1 10 . 1 1 913 913 SER N N 913 126.292 126.292 116.170 10.122 19955 7758 1 10 . 1 1 913 913 SER HA H 913 4.671 4.671 4.236 0.435 19955 7759 1 10 . 1 1 913 913 SER C C 913 174.781 174.781 174.753 0.028 19955 7760 1 10 . 1 1 913 913 SER CA C 913 57.411 57.411 60.511 -3.100 19955 7761 1 10 . 1 1 913 913 SER CB C 913 63.258 63.258 63.860 -0.602 19955 7762 1 10 . 1 1 913 913 SER H H 913 7.896 7.896 8.102 -0.206 19955 7763 1 10 . 1 1 914 914 ARG N N 914 124.284 124.284 118.230 6.054 19955 7764 1 10 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.600 -0.347 19955 7765 1 10 . 1 1 914 914 ARG C C 914 174.712 174.712 173.892 0.820 19955 7766 1 10 . 1 1 914 914 ARG CA C 914 56.960 56.960 56.310 0.649 19955 7767 1 10 . 1 1 914 914 ARG CB C 914 30.694 30.694 33.100 -2.406 19955 7768 1 10 . 1 1 914 914 ARG H H 914 8.631 8.631 7.785 0.846 19955 7769 1 10 . 1 1 915 915 GLN N N 915 124.297 124.297 122.561 1.736 19955 7770 1 10 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.351 0.030 19955 7771 1 10 . 1 1 915 915 GLN C C 915 174.377 174.377 174.016 0.361 19955 7772 1 10 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.349 1.217 19955 7773 1 10 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.593 -1.587 19955 7774 1 10 . 1 1 915 915 GLN H H 915 8.054 8.054 8.501 -0.447 19955 7775 1 10 . 1 1 916 916 GLY N N 916 112.028 112.028 110.507 1.521 19955 7776 1 10 . 1 1 916 916 GLY C C 916 172.185 172.185 171.974 0.211 19955 7777 1 10 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.677 -0.430 19955 7778 1 10 . 1 1 916 916 GLY H H 916 8.818 8.818 8.845 -0.027 19955 7779 1 10 . 1 1 917 917 ILE N N 917 113.634 113.634 116.413 -2.779 19955 7780 1 10 . 1 1 917 917 ILE HA H 917 6.028 6.028 5.364 0.664 19955 7781 1 10 . 1 1 917 917 ILE C C 917 176.584 176.584 174.508 2.076 19955 7782 1 10 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.773 1.206 19955 7783 1 10 . 1 1 917 917 ILE CB C 917 41.225 41.225 41.080 0.145 19955 7784 1 10 . 1 1 917 917 ILE H H 917 8.714 8.714 7.852 0.862 19955 7785 1 10 . 1 1 918 918 PHE N N 918 115.806 115.806 116.432 -0.626 19955 7786 1 10 . 1 1 918 918 PHE C C 918 170.959 170.959 172.472 -1.513 19955 7787 1 10 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.219 0.399 19955 7788 1 10 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.176 -0.554 19955 7789 1 10 . 1 1 918 918 PHE H H 918 8.573 8.573 8.257 0.316 19955 7790 1 10 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.550 -0.450 19955 7791 1 10 . 1 1 919 919 PRO C C 919 178.655 178.655 177.853 0.802 19955 7792 1 10 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.999 -1.002 19955 7793 1 10 . 1 1 919 919 PRO CB C 919 31.210 31.210 32.303 -1.093 19955 7794 1 10 . 1 1 920 920 ILE N N 920 123.677 123.677 120.707 2.970 19955 7795 1 10 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.962 -0.271 19955 7796 1 10 . 1 1 920 920 ILE C C 920 176.798 176.798 177.603 -0.805 19955 7797 1 10 . 1 1 920 920 ILE CA C 920 63.373 63.373 63.834 -0.461 19955 7798 1 10 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.289 1.562 19955 7799 1 10 . 1 1 920 920 ILE H H 920 7.949 7.949 7.860 0.089 19955 7800 1 10 . 1 1 921 921 THR N N 921 106.993 106.993 113.981 -6.988 19955 7801 1 10 . 1 1 921 921 THR HA H 921 4.294 4.294 4.139 0.155 19955 7802 1 10 . 1 1 921 921 THR C C 921 175.639 175.639 174.124 1.515 19955 7803 1 10 . 1 1 921 921 THR CA C 921 62.983 62.983 63.131 -0.148 19955 7804 1 10 . 1 1 921 921 THR CB C 921 69.104 69.104 68.194 0.910 19955 7805 1 10 . 1 1 921 921 THR H H 921 7.500 7.500 8.457 -0.957 19955 7806 1 10 . 1 1 922 922 TYR N N 922 118.600 118.600 120.394 -1.794 19955 7807 1 10 . 1 1 922 922 TYR HA H 922 4.640 4.640 5.020 -0.380 19955 7808 1 10 . 1 1 922 922 TYR C C 922 175.481 175.481 173.218 2.263 19955 7809 1 10 . 1 1 922 922 TYR CA C 922 59.448 59.448 55.874 3.574 19955 7810 1 10 . 1 1 922 922 TYR CB C 922 38.600 38.600 40.056 -1.456 19955 7811 1 10 . 1 1 922 922 TYR H H 922 7.836 7.836 7.593 0.243 19955 7812 1 10 . 1 1 923 923 VAL N N 923 109.058 109.058 116.513 -7.455 19955 7813 1 10 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.361 0.598 19955 7814 1 10 . 1 1 923 923 VAL C C 923 172.905 172.905 174.646 -1.741 19955 7815 1 10 . 1 1 923 923 VAL CA C 923 58.490 58.490 58.552 -0.062 19955 7816 1 10 . 1 1 923 923 VAL CB C 923 35.287 35.287 34.202 1.085 19955 7817 1 10 . 1 1 923 923 VAL H H 923 7.701 7.701 7.293 0.408 19955 7818 1 10 . 1 1 924 924 ASP N N 924 120.115 120.115 125.248 -5.133 19955 7819 1 10 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.779 0.155 19955 7820 1 10 . 1 1 924 924 ASP C C 924 175.863 175.863 175.275 0.588 19955 7821 1 10 . 1 1 924 924 ASP CA C 924 52.934 52.934 52.277 0.657 19955 7822 1 10 . 1 1 924 924 ASP CB C 924 42.263 42.263 42.912 -0.649 19955 7823 1 10 . 1 1 924 924 ASP H H 924 8.658 8.658 8.612 0.046 19955 7824 1 10 . 1 1 925 925 VAL N N 925 125.090 125.090 125.928 -0.838 19955 7825 1 10 . 1 1 925 925 VAL HA H 925 3.679 3.679 3.864 -0.185 19955 7826 1 10 . 1 1 925 925 VAL C C 925 175.620 175.620 175.746 -0.126 19955 7827 1 10 . 1 1 925 925 VAL CA C 925 64.215 64.215 62.946 1.269 19955 7828 1 10 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.620 0.101 19955 7829 1 10 . 1 1 925 925 VAL H H 925 8.911 8.911 8.687 0.224 19955 7830 1 10 . 1 1 926 926 ILE N N 926 129.390 129.390 128.120 1.270 19955 7831 1 10 . 1 1 926 926 ILE HA H 926 4.037 4.037 4.345 -0.308 19955 7832 1 10 . 1 1 926 926 ILE C C 926 175.683 175.683 175.721 -0.038 19955 7833 1 10 . 1 1 926 926 ILE CA C 926 61.578 61.578 61.875 -0.297 19955 7834 1 10 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.711 -0.164 19955 7835 1 10 . 1 1 926 926 ILE H H 926 8.519 8.519 8.224 0.295 19955 7836 1 10 . 1 1 927 927 LYS N N 927 122.060 122.060 121.065 0.995 19955 7837 1 10 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.514 0.098 19955 7838 1 10 . 1 1 927 927 LYS C C 927 175.204 175.204 175.209 -0.005 19955 7839 1 10 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.481 0.116 19955 7840 1 10 . 1 1 927 927 LYS CB C 927 35.633 35.633 34.885 0.748 19955 7841 1 10 . 1 1 927 927 LYS H H 927 8.017 8.017 7.561 0.456 19955 7842 1 10 . 1 1 928 928 ARG N N 928 126.441 126.441 126.684 -0.243 19955 7843 1 10 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.419 0.008 19955 7844 1 10 . 1 1 928 928 ARG C C 928 173.959 173.959 175.616 -1.657 19955 7845 1 10 . 1 1 928 928 ARG CA C 928 55.488 55.488 55.264 0.224 19955 7846 1 10 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.105 0.608 19955 7847 1 10 . 1 1 928 928 ARG H H 928 8.729 8.729 8.758 -0.029 19955 7848 1 10 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.230 0.283 19955 7849 1 10 . 1 1 929 929 PRO CA C 929 62.718 62.718 64.300 -1.582 19955 7850 1 10 . 1 1 929 929 PRO CB C 929 31.616 31.616 31.898 -0.282 19955 7851 1 11 . 1 1 790 790 MET HA H 790 4.396 4.396 4.638 -0.242 19955 7852 1 11 . 1 1 790 790 MET CA C 790 55.378 55.378 55.339 0.039 19955 7853 1 11 . 1 1 790 790 MET CB C 790 32.960 32.960 33.931 -0.971 19955 7854 1 11 . 1 1 791 791 SER N N 791 118.373 118.373 120.434 -2.061 19955 7855 1 11 . 1 1 791 791 SER HA H 791 4.362 4.362 4.706 -0.344 19955 7856 1 11 . 1 1 791 791 SER C C 791 175.043 175.043 174.785 0.258 19955 7857 1 11 . 1 1 791 791 SER CA C 791 58.532 58.532 57.617 0.915 19955 7858 1 11 . 1 1 791 791 SER CB C 791 63.749 63.749 65.124 -1.375 19955 7859 1 11 . 1 1 791 791 SER H H 791 8.657 8.657 8.447 0.210 19955 7860 1 11 . 1 1 792 792 GLY N N 792 111.254 111.254 112.238 -0.984 19955 7861 1 11 . 1 1 792 792 GLY C C 792 174.362 174.362 175.251 -0.889 19955 7862 1 11 . 1 1 792 792 GLY CA C 792 45.539 45.539 46.569 -1.030 19955 7863 1 11 . 1 1 792 792 GLY H H 792 8.560 8.560 8.822 -0.262 19955 7864 1 11 . 1 1 793 793 SER N N 793 115.369 115.369 115.588 -0.219 19955 7865 1 11 . 1 1 793 793 SER HA H 793 4.409 4.409 4.316 0.093 19955 7866 1 11 . 1 1 793 793 SER C C 793 174.396 174.396 175.377 -0.981 19955 7867 1 11 . 1 1 793 793 SER CA C 793 58.485 58.485 60.214 -1.729 19955 7868 1 11 . 1 1 793 793 SER CB C 793 63.845 63.845 63.357 0.488 19955 7869 1 11 . 1 1 793 793 SER H H 793 8.102 8.102 7.982 0.120 19955 7870 1 11 . 1 1 794 794 GLU N N 794 122.660 122.660 120.790 1.870 19955 7871 1 11 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.403 -0.193 19955 7872 1 11 . 1 1 794 794 GLU C C 794 175.970 175.970 175.541 0.429 19955 7873 1 11 . 1 1 794 794 GLU CA C 794 56.849 56.849 56.821 0.028 19955 7874 1 11 . 1 1 794 794 GLU CB C 794 30.261 30.261 30.468 -0.207 19955 7875 1 11 . 1 1 794 794 GLU H H 794 8.565 8.565 7.913 0.652 19955 7876 1 11 . 1 1 795 795 MET N N 795 119.544 119.544 116.978 2.566 19955 7877 1 11 . 1 1 795 795 MET HA H 795 4.653 4.653 5.367 -0.714 19955 7878 1 11 . 1 1 795 795 MET C C 795 175.590 175.590 175.368 0.222 19955 7879 1 11 . 1 1 795 795 MET CA C 795 55.135 55.135 54.082 1.053 19955 7880 1 11 . 1 1 795 795 MET CB C 795 32.378 32.378 36.571 -4.193 19955 7881 1 11 . 1 1 795 795 MET H H 795 8.156 8.156 8.299 -0.143 19955 7882 1 11 . 1 1 796 796 ARG N N 796 122.177 122.177 119.034 3.143 19955 7883 1 11 . 1 1 796 796 ARG HA H 796 4.911 4.911 5.043 -0.132 19955 7884 1 11 . 1 1 796 796 ARG C C 796 173.378 173.378 173.848 -0.470 19955 7885 1 11 . 1 1 796 796 ARG CA C 796 52.935 52.935 52.881 0.054 19955 7886 1 11 . 1 1 796 796 ARG CB C 796 32.172 32.172 32.877 -0.705 19955 7887 1 11 . 1 1 796 796 ARG H H 796 8.358 8.358 8.422 -0.064 19955 7888 1 11 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.464 0.232 19955 7889 1 11 . 1 1 797 797 PRO C C 797 175.805 175.805 175.173 0.632 19955 7890 1 11 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.515 -0.358 19955 7891 1 11 . 1 1 797 797 PRO CB C 797 32.377 32.377 32.052 0.325 19955 7892 1 11 . 1 1 798 798 ALA N N 798 123.383 123.383 125.827 -2.444 19955 7893 1 11 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.870 -0.171 19955 7894 1 11 . 1 1 798 798 ALA C C 798 173.534 173.534 175.158 -1.624 19955 7895 1 11 . 1 1 798 798 ALA CA C 798 50.823 50.823 49.863 0.960 19955 7896 1 11 . 1 1 798 798 ALA CB C 798 23.723 23.723 22.992 0.731 19955 7897 1 11 . 1 1 798 798 ALA H H 798 8.820 8.820 8.912 -0.092 19955 7898 1 11 . 1 1 799 799 ARG N N 799 118.968 118.968 122.382 -3.414 19955 7899 1 11 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.839 0.502 19955 7900 1 11 . 1 1 799 799 ARG C C 799 176.215 176.215 174.767 1.448 19955 7901 1 11 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.111 -0.989 19955 7902 1 11 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.747 0.692 19955 7903 1 11 . 1 1 799 799 ARG H H 799 8.803 8.803 7.938 0.865 19955 7904 1 11 . 1 1 800 800 ALA N N 800 128.073 128.073 129.170 -1.097 19955 7905 1 11 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.773 -0.236 19955 7906 1 11 . 1 1 800 800 ALA C C 800 178.146 178.146 176.852 1.294 19955 7907 1 11 . 1 1 800 800 ALA CA C 800 52.208 52.208 50.822 1.386 19955 7908 1 11 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.719 -1.065 19955 7909 1 11 . 1 1 800 800 ALA H H 800 9.037 9.037 8.773 0.264 19955 7910 1 11 . 1 1 801 801 LYS N N 801 127.334 127.334 125.483 1.851 19955 7911 1 11 . 1 1 801 801 LYS HA H 801 3.758 3.758 3.930 -0.172 19955 7912 1 11 . 1 1 801 801 LYS C C 801 174.213 174.213 175.657 -1.444 19955 7913 1 11 . 1 1 801 801 LYS CA C 801 57.344 57.344 58.290 -0.946 19955 7914 1 11 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.084 0.563 19955 7915 1 11 . 1 1 801 801 LYS H H 801 9.291 9.291 8.130 1.161 19955 7916 1 11 . 1 1 802 802 PHE N N 802 111.696 111.696 114.375 -2.679 19955 7917 1 11 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.613 0.128 19955 7918 1 11 . 1 1 802 802 PHE C C 802 173.408 173.408 173.950 -0.542 19955 7919 1 11 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.267 -2.898 19955 7920 1 11 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.648 0.594 19955 7921 1 11 . 1 1 802 802 PHE H H 802 7.069 7.069 7.350 -0.281 19955 7922 1 11 . 1 1 803 803 ASP N N 803 117.498 117.498 120.385 -2.887 19955 7923 1 11 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.794 -0.270 19955 7924 1 11 . 1 1 803 803 ASP C C 803 175.782 175.782 175.056 0.726 19955 7925 1 11 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.526 1.200 19955 7926 1 11 . 1 1 803 803 ASP CB C 803 41.154 41.154 40.607 0.547 19955 7927 1 11 . 1 1 803 803 ASP H H 803 8.339 8.339 8.648 -0.309 19955 7928 1 11 . 1 1 804 804 PHE N N 804 123.264 123.264 122.588 0.676 19955 7929 1 11 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.741 0.251 19955 7930 1 11 . 1 1 804 804 PHE C C 804 173.750 173.750 174.678 -0.928 19955 7931 1 11 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.711 -0.490 19955 7932 1 11 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.278 -0.146 19955 7933 1 11 . 1 1 804 804 PHE H H 804 9.223 9.223 9.094 0.129 19955 7934 1 11 . 1 1 805 805 LYS N N 805 129.548 129.548 128.724 0.824 19955 7935 1 11 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.293 -0.172 19955 7936 1 11 . 1 1 805 805 LYS C C 805 174.042 174.042 174.627 -0.585 19955 7937 1 11 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.670 -0.302 19955 7938 1 11 . 1 1 805 805 LYS CB C 805 31.781 31.781 32.937 -1.156 19955 7939 1 11 . 1 1 805 805 LYS H H 805 8.125 8.125 8.031 0.094 19955 7940 1 11 . 1 1 806 806 ALA N N 806 127.231 127.231 128.250 -1.019 19955 7941 1 11 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.185 -0.303 19955 7942 1 11 . 1 1 806 806 ALA C C 806 178.066 178.066 177.753 0.313 19955 7943 1 11 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.497 -0.899 19955 7944 1 11 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.455 1.050 19955 7945 1 11 . 1 1 806 806 ALA H H 806 7.291 7.291 8.439 -1.148 19955 7946 1 11 . 1 1 807 807 GLN N N 807 121.482 121.482 122.748 -1.266 19955 7947 1 11 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.205 0.121 19955 7948 1 11 . 1 1 807 807 GLN C C 807 175.927 175.927 176.378 -0.451 19955 7949 1 11 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.992 -0.786 19955 7950 1 11 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.627 1.315 19955 7951 1 11 . 1 1 807 807 GLN H H 807 9.375 9.375 9.648 -0.273 19955 7952 1 11 . 1 1 808 808 THR N N 808 108.842 108.842 108.980 -0.138 19955 7953 1 11 . 1 1 808 808 THR HA H 808 4.661 4.661 4.566 0.095 19955 7954 1 11 . 1 1 808 808 THR C C 808 175.262 175.262 174.810 0.452 19955 7955 1 11 . 1 1 808 808 THR CA C 808 59.313 59.313 59.803 -0.490 19955 7956 1 11 . 1 1 808 808 THR CB C 808 71.810 71.810 71.763 0.047 19955 7957 1 11 . 1 1 808 808 THR H H 808 7.472 7.472 7.616 -0.144 19955 7958 1 11 . 1 1 809 809 LEU N N 809 119.518 119.518 119.009 0.509 19955 7959 1 11 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.094 0.106 19955 7960 1 11 . 1 1 809 809 LEU C C 809 177.895 177.895 177.216 0.679 19955 7961 1 11 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.318 -0.231 19955 7962 1 11 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.472 0.429 19955 7963 1 11 . 1 1 809 809 LEU H H 809 8.387 8.387 8.455 -0.068 19955 7964 1 11 . 1 1 810 810 LYS N N 810 115.587 115.587 118.799 -3.212 19955 7965 1 11 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.024 0.206 19955 7966 1 11 . 1 1 810 810 LYS C C 810 177.172 177.172 176.987 0.185 19955 7967 1 11 . 1 1 810 810 LYS CA C 810 56.807 56.807 57.699 -0.892 19955 7968 1 11 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.528 0.531 19955 7969 1 11 . 1 1 810 810 LYS H H 810 7.707 7.707 8.001 -0.294 19955 7970 1 11 . 1 1 811 811 GLU N N 811 119.522 119.522 117.950 1.572 19955 7971 1 11 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.073 0.626 19955 7972 1 11 . 1 1 811 811 GLU C C 811 174.240 174.240 175.041 -0.801 19955 7973 1 11 . 1 1 811 811 GLU CA C 811 55.419 55.419 56.770 -1.351 19955 7974 1 11 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.211 2.143 19955 7975 1 11 . 1 1 811 811 GLU H H 811 7.244 7.244 7.397 -0.153 19955 7976 1 11 . 1 1 812 812 LEU N N 812 126.910 126.910 125.178 1.732 19955 7977 1 11 . 1 1 812 812 LEU C C 812 172.269 172.269 175.053 -2.784 19955 7978 1 11 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.212 -0.701 19955 7979 1 11 . 1 1 812 812 LEU CB C 812 45.092 45.092 44.462 0.630 19955 7980 1 11 . 1 1 812 812 LEU H H 812 9.168 9.168 8.248 0.920 19955 7981 1 11 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.856 -0.419 19955 7982 1 11 . 1 1 813 813 PRO C C 813 176.755 176.755 175.433 1.322 19955 7983 1 11 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.851 -0.305 19955 7984 1 11 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.808 -0.833 19955 7985 1 11 . 1 1 814 814 LEU N N 814 118.726 118.726 121.290 -2.564 19955 7986 1 11 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.627 0.019 19955 7987 1 11 . 1 1 814 814 LEU C C 814 176.452 176.452 176.399 0.053 19955 7988 1 11 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.429 -0.038 19955 7989 1 11 . 1 1 814 814 LEU CB C 814 46.896 46.896 44.624 2.272 19955 7990 1 11 . 1 1 814 814 LEU H H 814 8.532 8.532 8.346 0.186 19955 7991 1 11 . 1 1 815 815 GLN N N 815 123.473 123.473 119.520 3.953 19955 7992 1 11 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.515 0.236 19955 7993 1 11 . 1 1 815 815 GLN C C 815 174.820 174.820 174.748 0.072 19955 7994 1 11 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.863 -0.527 19955 7995 1 11 . 1 1 815 815 GLN CB C 815 31.094 31.094 31.652 -0.558 19955 7996 1 11 . 1 1 815 815 GLN H H 815 8.938 8.938 8.384 0.554 19955 7997 1 11 . 1 1 816 816 LYS N N 816 122.982 122.982 125.788 -2.806 19955 7998 1 11 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.726 -0.611 19955 7999 1 11 . 1 1 816 816 LYS C C 816 177.030 177.030 177.440 -0.410 19955 8000 1 11 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.151 0.525 19955 8001 1 11 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.802 0.440 19955 8002 1 11 . 1 1 816 816 LYS H H 816 8.888 8.888 8.953 -0.065 19955 8003 1 11 . 1 1 817 817 GLY N N 817 115.370 115.370 115.535 -0.165 19955 8004 1 11 . 1 1 817 817 GLY C C 817 174.271 174.271 174.463 -0.192 19955 8005 1 11 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.448 0.213 19955 8006 1 11 . 1 1 817 817 GLY H H 817 8.870 8.870 9.019 -0.149 19955 8007 1 11 . 1 1 818 818 ASP N N 818 123.102 123.102 121.956 1.146 19955 8008 1 11 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.510 -0.181 19955 8009 1 11 . 1 1 818 818 ASP C C 818 175.076 175.076 175.466 -0.390 19955 8010 1 11 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.666 0.929 19955 8011 1 11 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.918 -0.380 19955 8012 1 11 . 1 1 818 818 ASP H H 818 8.468 8.468 8.264 0.204 19955 8013 1 11 . 1 1 819 819 ILE N N 819 121.053 121.053 124.044 -2.991 19955 8014 1 11 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.690 0.130 19955 8015 1 11 . 1 1 819 819 ILE C C 819 175.630 175.630 175.184 0.446 19955 8016 1 11 . 1 1 819 819 ILE CA C 819 58.602 58.602 59.254 -0.652 19955 8017 1 11 . 1 1 819 819 ILE CB C 819 36.541 36.541 38.015 -1.474 19955 8018 1 11 . 1 1 819 819 ILE H H 819 8.286 8.286 8.265 0.021 19955 8019 1 11 . 1 1 820 820 VAL N N 820 124.554 124.554 121.303 3.251 19955 8020 1 11 . 1 1 820 820 VAL HA H 820 4.679 4.679 4.906 -0.227 19955 8021 1 11 . 1 1 820 820 VAL C C 820 172.751 172.751 173.739 -0.988 19955 8022 1 11 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.108 -0.246 19955 8023 1 11 . 1 1 820 820 VAL CB C 820 34.372 34.372 34.569 -0.197 19955 8024 1 11 . 1 1 820 820 VAL H H 820 8.717 8.717 8.808 -0.091 19955 8025 1 11 . 1 1 821 821 TYR N N 821 120.296 120.296 122.089 -1.793 19955 8026 1 11 . 1 1 821 821 TYR HA H 821 4.803 4.803 5.082 -0.279 19955 8027 1 11 . 1 1 821 821 TYR C C 821 175.760 175.760 175.856 -0.096 19955 8028 1 11 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.051 0.787 19955 8029 1 11 . 1 1 821 821 TYR CB C 821 40.132 40.132 39.630 0.502 19955 8030 1 11 . 1 1 821 821 TYR H H 821 8.360 8.360 8.602 -0.242 19955 8031 1 11 . 1 1 822 822 ILE N N 822 123.440 123.440 123.626 -0.186 19955 8032 1 11 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.379 -0.514 19955 8033 1 11 . 1 1 822 822 ILE C C 822 176.541 176.541 176.195 0.346 19955 8034 1 11 . 1 1 822 822 ILE CA C 822 62.327 62.327 59.270 3.057 19955 8035 1 11 . 1 1 822 822 ILE CB C 822 39.429 39.429 36.072 3.357 19955 8036 1 11 . 1 1 822 822 ILE H H 822 8.991 8.991 8.211 0.780 19955 8037 1 11 . 1 1 823 823 TYR N N 823 127.197 127.197 126.229 0.968 19955 8038 1 11 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.618 0.450 19955 8039 1 11 . 1 1 823 823 TYR C C 823 176.327 176.327 175.981 0.346 19955 8040 1 11 . 1 1 823 823 TYR CA C 823 56.331 56.331 59.359 -3.028 19955 8041 1 11 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.346 -2.061 19955 8042 1 11 . 1 1 823 823 TYR H H 823 9.699 9.699 8.850 0.849 19955 8043 1 11 . 1 1 824 824 LYS N N 824 113.691 113.691 114.970 -1.279 19955 8044 1 11 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.772 -0.108 19955 8045 1 11 . 1 1 824 824 LYS C C 824 174.044 174.044 174.294 -0.250 19955 8046 1 11 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.334 -0.033 19955 8047 1 11 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.959 0.145 19955 8048 1 11 . 1 1 824 824 LYS H H 824 7.904 7.904 7.520 0.384 19955 8049 1 11 . 1 1 825 825 GLN N N 825 122.998 122.998 122.800 0.198 19955 8050 1 11 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.526 0.088 19955 8051 1 11 . 1 1 825 825 GLN C C 825 175.372 175.372 175.909 -0.537 19955 8052 1 11 . 1 1 825 825 GLN CA C 825 55.970 55.970 55.680 0.290 19955 8053 1 11 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.042 -0.028 19955 8054 1 11 . 1 1 825 825 GLN H H 825 9.091 9.091 8.735 0.356 19955 8055 1 11 . 1 1 826 826 ILE N N 826 126.911 126.911 126.040 0.871 19955 8056 1 11 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.021 -0.071 19955 8057 1 11 . 1 1 826 826 ILE C C 826 175.447 175.447 176.421 -0.974 19955 8058 1 11 . 1 1 826 826 ILE CA C 826 62.062 62.062 63.435 -1.373 19955 8059 1 11 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.198 -0.019 19955 8060 1 11 . 1 1 826 826 ILE H H 826 8.356 8.356 8.542 -0.186 19955 8061 1 11 . 1 1 827 827 ASP N N 827 118.575 118.575 115.758 2.817 19955 8062 1 11 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.998 -0.579 19955 8063 1 11 . 1 1 827 827 ASP C C 827 175.673 175.673 177.241 -1.568 19955 8064 1 11 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.892 0.363 19955 8065 1 11 . 1 1 827 827 ASP CB C 827 40.120 40.120 43.073 -2.953 19955 8066 1 11 . 1 1 827 827 ASP H H 827 7.952 7.952 8.165 -0.213 19955 8067 1 11 . 1 1 828 828 GLN N N 828 113.633 113.633 119.217 -5.584 19955 8068 1 11 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.146 -0.274 19955 8069 1 11 . 1 1 828 828 GLN C C 828 175.745 175.745 176.604 -0.859 19955 8070 1 11 . 1 1 828 828 GLN CA C 828 58.261 58.261 59.081 -0.820 19955 8071 1 11 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.869 -0.371 19955 8072 1 11 . 1 1 828 828 GLN H H 828 8.468 8.468 8.756 -0.288 19955 8073 1 11 . 1 1 829 829 ASN N N 829 114.412 114.412 114.829 -0.417 19955 8074 1 11 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.833 -0.091 19955 8075 1 11 . 1 1 829 829 ASN C C 829 175.652 175.652 173.563 2.089 19955 8076 1 11 . 1 1 829 829 ASN CA C 829 53.641 53.641 52.187 1.454 19955 8077 1 11 . 1 1 829 829 ASN CB C 829 41.815 41.815 38.691 3.124 19955 8078 1 11 . 1 1 829 829 ASN H H 829 8.799 8.799 8.586 0.213 19955 8079 1 11 . 1 1 830 830 TRP N N 830 121.661 121.661 118.933 2.728 19955 8080 1 11 . 1 1 830 830 TRP HA H 830 4.810 4.810 5.122 -0.312 19955 8081 1 11 . 1 1 830 830 TRP C C 830 175.077 175.077 175.129 -0.052 19955 8082 1 11 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.806 0.484 19955 8083 1 11 . 1 1 830 830 TRP CB C 830 32.570 32.570 33.387 -0.817 19955 8084 1 11 . 1 1 830 830 TRP H H 830 8.033 8.033 7.768 0.265 19955 8085 1 11 . 1 1 831 831 TYR N N 831 120.163 120.163 116.570 3.593 19955 8086 1 11 . 1 1 831 831 TYR HA H 831 5.045 5.045 5.234 -0.189 19955 8087 1 11 . 1 1 831 831 TYR C C 831 173.672 173.672 172.936 0.736 19955 8088 1 11 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.311 0.061 19955 8089 1 11 . 1 1 831 831 TYR CB C 831 42.726 42.726 41.911 0.815 19955 8090 1 11 . 1 1 831 831 TYR H H 831 8.721 8.721 9.140 -0.419 19955 8091 1 11 . 1 1 832 832 GLU N N 832 117.935 117.935 120.666 -2.731 19955 8092 1 11 . 1 1 832 832 GLU HA H 832 4.937 4.937 5.179 -0.242 19955 8093 1 11 . 1 1 832 832 GLU C C 832 176.121 176.121 175.460 0.661 19955 8094 1 11 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.194 0.210 19955 8095 1 11 . 1 1 832 832 GLU CB C 832 33.955 33.955 34.005 -0.050 19955 8096 1 11 . 1 1 832 832 GLU H H 832 8.696 8.696 8.443 0.253 19955 8097 1 11 . 1 1 833 833 GLY N N 833 115.171 115.171 111.706 3.465 19955 8098 1 11 . 1 1 833 833 GLY C C 833 168.962 168.962 171.906 -2.944 19955 8099 1 11 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.558 1.065 19955 8100 1 11 . 1 1 833 833 GLY H H 833 9.063 9.063 8.343 0.720 19955 8101 1 11 . 1 1 834 834 GLU N N 834 117.849 117.849 120.347 -2.498 19955 8102 1 11 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.632 0.057 19955 8103 1 11 . 1 1 834 834 GLU C C 834 175.077 175.077 175.052 0.025 19955 8104 1 11 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.146 -0.180 19955 8105 1 11 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.673 1.371 19955 8106 1 11 . 1 1 834 834 GLU H H 834 8.708 8.708 8.642 0.066 19955 8107 1 11 . 1 1 835 835 HIS N N 835 120.973 120.973 124.943 -3.970 19955 8108 1 11 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.057 -0.223 19955 8109 1 11 . 1 1 835 835 HIS C C 835 174.509 174.509 174.444 0.065 19955 8110 1 11 . 1 1 835 835 HIS CA C 835 56.249 56.249 56.440 -0.191 19955 8111 1 11 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.762 0.449 19955 8112 1 11 . 1 1 835 835 HIS H H 835 8.799 8.799 9.234 -0.435 19955 8113 1 11 . 1 1 836 836 HIS N N 836 125.728 125.728 126.822 -1.094 19955 8114 1 11 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.079 0.087 19955 8115 1 11 . 1 1 836 836 HIS C C 836 175.012 175.012 174.380 0.632 19955 8116 1 11 . 1 1 836 836 HIS CA C 836 55.689 55.689 57.224 -1.535 19955 8117 1 11 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.988 -0.994 19955 8118 1 11 . 1 1 836 836 HIS H H 836 9.163 9.163 9.242 -0.079 19955 8119 1 11 . 1 1 837 837 GLY N N 837 104.909 104.909 105.161 -0.252 19955 8120 1 11 . 1 1 837 837 GLY C C 837 173.235 173.235 173.792 -0.557 19955 8121 1 11 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.482 0.172 19955 8122 1 11 . 1 1 837 837 GLY H H 837 9.070 9.070 8.640 0.430 19955 8123 1 11 . 1 1 838 838 ARG N N 838 122.925 122.925 118.876 4.049 19955 8124 1 11 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.769 -0.176 19955 8125 1 11 . 1 1 838 838 ARG C C 838 173.682 173.682 174.604 -0.922 19955 8126 1 11 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.794 0.087 19955 8127 1 11 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.893 -1.835 19955 8128 1 11 . 1 1 838 838 ARG H H 838 7.814 7.814 7.790 0.024 19955 8129 1 11 . 1 1 839 839 VAL N N 839 123.572 123.572 120.914 2.658 19955 8130 1 11 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.205 -0.071 19955 8131 1 11 . 1 1 839 839 VAL C C 839 177.296 177.296 175.867 1.429 19955 8132 1 11 . 1 1 839 839 VAL CA C 839 60.200 60.200 60.878 -0.678 19955 8133 1 11 . 1 1 839 839 VAL CB C 839 33.994 33.994 33.995 -0.001 19955 8134 1 11 . 1 1 839 839 VAL H H 839 8.360 8.360 8.622 -0.262 19955 8135 1 11 . 1 1 840 840 GLY N N 840 114.006 114.006 110.982 3.024 19955 8136 1 11 . 1 1 840 840 GLY C C 840 171.246 171.246 171.222 0.024 19955 8137 1 11 . 1 1 840 840 GLY CA C 840 45.896 45.896 44.719 1.177 19955 8138 1 11 . 1 1 840 840 GLY H H 840 8.951 8.951 8.104 0.847 19955 8139 1 11 . 1 1 841 841 ILE N N 841 112.496 112.496 115.402 -2.906 19955 8140 1 11 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.628 1.253 19955 8141 1 11 . 1 1 841 841 ILE C C 841 176.120 176.120 172.767 3.353 19955 8142 1 11 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.178 1.189 19955 8143 1 11 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.379 -0.462 19955 8144 1 11 . 1 1 841 841 ILE H H 841 8.434 8.434 7.829 0.605 19955 8145 1 11 . 1 1 842 842 PHE N N 842 116.289 116.289 118.252 -1.963 19955 8146 1 11 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.712 0.259 19955 8147 1 11 . 1 1 842 842 PHE C C 842 171.777 171.777 172.189 -0.412 19955 8148 1 11 . 1 1 842 842 PHE CA C 842 54.265 54.265 53.973 0.292 19955 8149 1 11 . 1 1 842 842 PHE CB C 842 37.515 37.515 38.239 -0.724 19955 8150 1 11 . 1 1 842 842 PHE H H 842 8.408 8.408 8.184 0.224 19955 8151 1 11 . 1 1 843 843 PRO HA H 843 3.934 3.934 4.192 -0.258 19955 8152 1 11 . 1 1 843 843 PRO C C 843 178.228 178.228 177.616 0.612 19955 8153 1 11 . 1 1 843 843 PRO CA C 843 61.613 61.613 61.809 -0.196 19955 8154 1 11 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.764 -0.369 19955 8155 1 11 . 1 1 844 844 ARG N N 844 122.291 122.291 125.987 -3.696 19955 8156 1 11 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.073 -0.129 19955 8157 1 11 . 1 1 844 844 ARG C C 844 178.171 178.171 177.843 0.328 19955 8158 1 11 . 1 1 844 844 ARG CA C 844 58.618 58.618 60.132 -1.514 19955 8159 1 11 . 1 1 844 844 ARG CB C 844 30.297 30.297 30.170 0.127 19955 8160 1 11 . 1 1 844 844 ARG H H 844 7.906 7.906 8.024 -0.118 19955 8161 1 11 . 1 1 845 845 THR N N 845 105.068 105.068 112.317 -7.249 19955 8162 1 11 . 1 1 845 845 THR HA H 845 4.159 4.159 4.161 -0.002 19955 8163 1 11 . 1 1 845 845 THR C C 845 175.363 175.363 175.090 0.273 19955 8164 1 11 . 1 1 845 845 THR CA C 845 63.035 63.035 64.667 -1.632 19955 8165 1 11 . 1 1 845 845 THR CB C 845 69.022 69.022 68.495 0.527 19955 8166 1 11 . 1 1 845 845 THR H H 845 7.907 7.907 8.367 -0.460 19955 8167 1 11 . 1 1 846 846 TYR N N 846 118.977 118.977 118.455 0.522 19955 8168 1 11 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.716 -0.181 19955 8169 1 11 . 1 1 846 846 TYR C C 846 174.917 174.917 174.468 0.449 19955 8170 1 11 . 1 1 846 846 TYR CA C 846 58.751 58.751 57.957 0.794 19955 8171 1 11 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.819 -1.764 19955 8172 1 11 . 1 1 846 846 TYR H H 846 7.611 7.611 7.622 -0.011 19955 8173 1 11 . 1 1 847 847 ILE N N 847 113.230 113.230 113.724 -0.494 19955 8174 1 11 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.027 0.072 19955 8175 1 11 . 1 1 847 847 ILE C C 847 174.141 174.141 173.943 0.198 19955 8176 1 11 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.517 -1.063 19955 8177 1 11 . 1 1 847 847 ILE CB C 847 42.191 42.191 41.540 0.651 19955 8178 1 11 . 1 1 847 847 ILE H H 847 7.390 7.390 7.835 -0.445 19955 8179 1 11 . 1 1 848 848 GLU N N 848 121.909 121.909 118.428 3.481 19955 8180 1 11 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.578 -0.030 19955 8181 1 11 . 1 1 848 848 GLU C C 848 175.193 175.193 175.020 0.173 19955 8182 1 11 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.084 -0.420 19955 8183 1 11 . 1 1 848 848 GLU CB C 848 32.624 32.624 33.481 -0.857 19955 8184 1 11 . 1 1 848 848 GLU H H 848 8.786 8.786 8.704 0.082 19955 8185 1 11 . 1 1 849 849 LEU N N 849 126.431 126.431 125.006 1.425 19955 8186 1 11 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.450 -0.359 19955 8187 1 11 . 1 1 849 849 LEU C C 849 177.019 177.019 175.797 1.222 19955 8188 1 11 . 1 1 849 849 LEU CA C 849 55.667 55.667 53.614 2.053 19955 8189 1 11 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.668 -1.126 19955 8190 1 11 . 1 1 849 849 LEU H H 849 8.730 8.730 8.452 0.278 19955 8191 1 11 . 1 1 850 850 LEU N N 850 123.942 123.942 125.191 -1.249 19955 8192 1 11 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.038 0.524 19955 8193 1 11 . 1 1 850 850 LEU C C 850 174.453 174.453 174.299 0.154 19955 8194 1 11 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.556 -1.751 19955 8195 1 11 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.277 -0.314 19955 8196 1 11 . 1 1 850 850 LEU H H 850 7.846 7.846 8.098 -0.252 19955 8197 1 11 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.381 -0.052 19955 8198 1 11 . 1 1 852 852 PRO C C 852 176.580 176.580 176.474 0.106 19955 8199 1 11 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.072 -0.169 19955 8200 1 11 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.386 -0.621 19955 8201 1 11 . 1 1 853 853 ALA N N 853 124.102 124.102 125.739 -1.637 19955 8202 1 11 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.015 0.225 19955 8203 1 11 . 1 1 853 853 ALA C C 853 177.767 177.767 176.299 1.468 19955 8204 1 11 . 1 1 853 853 ALA CA C 853 52.258 52.258 53.124 -0.866 19955 8205 1 11 . 1 1 853 853 ALA CB C 853 19.516 19.516 18.944 0.572 19955 8206 1 11 . 1 1 853 853 ALA H H 853 8.354 8.354 8.301 0.053 19955 8207 1 11 . 1 1 854 854 GLU N N 854 120.540 120.540 118.233 2.307 19955 8208 1 11 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.374 -0.171 19955 8209 1 11 . 1 1 854 854 GLU C C 854 176.402 176.402 174.876 1.526 19955 8210 1 11 . 1 1 854 854 GLU CA C 854 56.380 56.380 55.687 0.693 19955 8211 1 11 . 1 1 854 854 GLU CB C 854 30.432 30.432 31.337 -0.905 19955 8212 1 11 . 1 1 854 854 GLU H H 854 8.348 8.348 8.285 0.063 19955 8213 1 11 . 1 1 855 855 LYS N N 855 122.717 122.717 121.638 1.079 19955 8214 1 11 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.663 -0.448 19955 8215 1 11 . 1 1 855 855 LYS C C 855 176.078 176.078 175.860 0.218 19955 8216 1 11 . 1 1 855 855 LYS CA C 855 56.018 56.018 55.036 0.982 19955 8217 1 11 . 1 1 855 855 LYS CB C 855 33.187 33.187 33.514 -0.327 19955 8218 1 11 . 1 1 855 855 LYS H H 855 8.305 8.305 8.499 -0.194 19955 8219 1 11 . 1 1 856 856 ALA N N 856 125.584 125.584 126.128 -0.544 19955 8220 1 11 . 1 1 856 856 ALA HA H 856 4.241 4.241 3.935 0.306 19955 8221 1 11 . 1 1 856 856 ALA C C 856 177.276 177.276 176.225 1.051 19955 8222 1 11 . 1 1 856 856 ALA CA C 856 52.046 52.046 52.387 -0.341 19955 8223 1 11 . 1 1 856 856 ALA CB C 856 19.294 19.294 19.180 0.114 19955 8224 1 11 . 1 1 856 856 ALA H H 856 8.219 8.219 8.236 -0.017 19955 8225 1 11 . 1 1 857 857 GLN N N 857 121.223 121.223 120.367 0.856 19955 8226 1 11 . 1 1 857 857 GLN C C 857 173.964 173.964 174.579 -0.615 19955 8227 1 11 . 1 1 857 857 GLN CA C 857 53.490 53.490 53.811 -0.321 19955 8228 1 11 . 1 1 857 857 GLN CB C 857 29.040 29.040 30.018 -0.978 19955 8229 1 11 . 1 1 857 857 GLN H H 857 8.333 8.333 8.263 0.070 19955 8230 1 11 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.327 0.011 19955 8231 1 11 . 1 1 858 858 PRO C C 858 176.696 176.696 176.588 0.108 19955 8232 1 11 . 1 1 858 858 PRO CA C 858 62.910 62.910 64.017 -1.107 19955 8233 1 11 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.447 -0.372 19955 8234 1 11 . 1 1 859 859 LYS N N 859 121.891 121.891 119.546 2.345 19955 8235 1 11 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.419 -0.229 19955 8236 1 11 . 1 1 859 859 LYS C C 859 176.382 176.382 175.274 1.108 19955 8237 1 11 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.336 -0.205 19955 8238 1 11 . 1 1 859 859 LYS CB C 859 33.070 33.070 33.801 -0.731 19955 8239 1 11 . 1 1 859 859 LYS H H 859 8.355 8.355 7.566 0.789 19955 8240 1 11 . 1 1 860 860 LYS N N 860 123.002 123.002 124.497 -1.495 19955 8241 1 11 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.466 -0.221 19955 8242 1 11 . 1 1 860 860 LYS C C 860 176.131 176.131 175.971 0.160 19955 8243 1 11 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.359 -0.507 19955 8244 1 11 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.822 0.326 19955 8245 1 11 . 1 1 860 860 LYS H H 860 8.267 8.267 8.570 -0.303 19955 8246 1 11 . 1 1 861 861 LEU N N 861 124.576 124.576 119.715 4.861 19955 8247 1 11 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.426 -0.070 19955 8248 1 11 . 1 1 861 861 LEU C C 861 177.069 177.069 177.077 -0.008 19955 8249 1 11 . 1 1 861 861 LEU CA C 861 54.795 54.795 55.618 -0.823 19955 8250 1 11 . 1 1 861 861 LEU CB C 861 42.350 42.350 41.856 0.494 19955 8251 1 11 . 1 1 861 861 LEU H H 861 8.316 8.316 8.045 0.271 19955 8252 1 11 . 1 1 862 862 THR N N 862 117.878 117.878 114.431 3.447 19955 8253 1 11 . 1 1 862 862 THR HA H 862 4.729 4.729 4.309 0.420 19955 8254 1 11 . 1 1 862 862 THR C C 862 172.639 172.639 174.176 -1.537 19955 8255 1 11 . 1 1 862 862 THR CA C 862 59.644 59.644 64.901 -5.257 19955 8256 1 11 . 1 1 862 862 THR CB C 862 69.476 69.476 67.990 1.486 19955 8257 1 11 . 1 1 862 862 THR H H 862 8.162 8.162 7.874 0.288 19955 8258 1 11 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.600 -0.232 19955 8259 1 11 . 1 1 863 863 PRO C C 863 176.753 176.753 176.211 0.542 19955 8260 1 11 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.574 0.618 19955 8261 1 11 . 1 1 863 863 PRO CB C 863 32.058 32.058 30.344 1.714 19955 8262 1 11 . 1 1 864 864 VAL N N 864 120.359 120.359 117.628 2.731 19955 8263 1 11 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.189 -0.204 19955 8264 1 11 . 1 1 864 864 VAL C C 864 175.964 175.964 176.713 -0.749 19955 8265 1 11 . 1 1 864 864 VAL CA C 864 62.342 62.342 62.141 0.201 19955 8266 1 11 . 1 1 864 864 VAL CB C 864 32.521 32.521 31.964 0.557 19955 8267 1 11 . 1 1 864 864 VAL H H 864 8.102 8.102 7.656 0.446 19955 8268 1 11 . 1 1 865 865 GLN N N 865 124.642 124.642 120.397 4.245 19955 8269 1 11 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.460 -0.174 19955 8270 1 11 . 1 1 865 865 GLN C C 865 175.443 175.443 176.013 -0.570 19955 8271 1 11 . 1 1 865 865 GLN CA C 865 55.595 55.595 55.236 0.359 19955 8272 1 11 . 1 1 865 865 GLN CB C 865 29.739 29.739 29.338 0.401 19955 8273 1 11 . 1 1 865 865 GLN H H 865 8.333 8.333 8.390 -0.057 19955 8274 1 11 . 1 1 866 866 VAL N N 866 123.436 123.436 119.815 3.621 19955 8275 1 11 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.477 -0.508 19955 8276 1 11 . 1 1 866 866 VAL C C 866 175.685 175.685 175.066 0.619 19955 8277 1 11 . 1 1 866 866 VAL CA C 866 62.398 62.398 61.817 0.581 19955 8278 1 11 . 1 1 866 866 VAL CB C 866 32.832 32.832 30.815 2.017 19955 8279 1 11 . 1 1 866 866 VAL H H 866 8.189 8.189 8.391 -0.202 19955 8280 1 11 . 1 1 867 867 LEU N N 867 127.515 127.515 124.751 2.764 19955 8281 1 11 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.405 -0.143 19955 8282 1 11 . 1 1 867 867 LEU C C 867 177.037 177.037 177.462 -0.425 19955 8283 1 11 . 1 1 867 867 LEU CA C 867 55.688 55.688 55.108 0.579 19955 8284 1 11 . 1 1 867 867 LEU CB C 867 42.552 42.552 42.734 -0.183 19955 8285 1 11 . 1 1 867 867 LEU H H 867 8.679 8.679 7.917 0.762 19955 8286 1 11 . 1 1 868 868 GLU N N 868 120.794 120.794 115.205 5.589 19955 8287 1 11 . 1 1 868 868 GLU HA H 868 4.219 4.219 3.965 0.254 19955 8288 1 11 . 1 1 868 868 GLU C C 868 175.353 175.353 175.737 -0.384 19955 8289 1 11 . 1 1 868 868 GLU CA C 868 55.753 55.753 57.032 -1.279 19955 8290 1 11 . 1 1 868 868 GLU CB C 868 31.419 31.419 28.117 3.302 19955 8291 1 11 . 1 1 868 868 GLU H H 868 8.272 8.272 8.586 -0.314 19955 8292 1 11 . 1 1 869 869 TYR N N 869 121.165 121.165 114.834 6.331 19955 8293 1 11 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.070 0.630 19955 8294 1 11 . 1 1 869 869 TYR C C 869 176.824 176.824 176.491 0.333 19955 8295 1 11 . 1 1 869 869 TYR CA C 869 56.809 56.809 60.221 -3.412 19955 8296 1 11 . 1 1 869 869 TYR CB C 869 38.650 38.650 37.251 1.399 19955 8297 1 11 . 1 1 869 869 TYR H H 869 8.003 8.003 7.824 0.179 19955 8298 1 11 . 1 1 870 870 GLY N N 870 104.958 104.958 105.181 -0.223 19955 8299 1 11 . 1 1 870 870 GLY C C 870 173.846 173.846 172.388 1.458 19955 8300 1 11 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.477 -0.258 19955 8301 1 11 . 1 1 870 870 GLY H H 870 8.590 8.590 8.069 0.521 19955 8302 1 11 . 1 1 871 871 GLU N N 871 122.341 122.341 118.705 3.636 19955 8303 1 11 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.392 -0.170 19955 8304 1 11 . 1 1 871 871 GLU C C 871 173.827 173.827 174.484 -0.657 19955 8305 1 11 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.464 1.395 19955 8306 1 11 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.312 0.622 19955 8307 1 11 . 1 1 871 871 GLU H H 871 9.246 9.246 8.150 1.096 19955 8308 1 11 . 1 1 872 872 ALA N N 872 126.709 126.709 123.312 3.397 19955 8309 1 11 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.241 -0.137 19955 8310 1 11 . 1 1 872 872 ALA C C 872 174.022 174.022 174.748 -0.726 19955 8311 1 11 . 1 1 872 872 ALA CA C 872 50.135 50.135 51.205 -1.070 19955 8312 1 11 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.745 1.753 19955 8313 1 11 . 1 1 872 872 ALA H H 872 9.266 9.266 8.818 0.448 19955 8314 1 11 . 1 1 873 873 ILE N N 873 118.554 118.554 120.968 -2.414 19955 8315 1 11 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.976 -0.362 19955 8316 1 11 . 1 1 873 873 ILE C C 873 176.132 176.132 175.236 0.896 19955 8317 1 11 . 1 1 873 873 ILE CA C 873 58.788 58.788 59.288 -0.500 19955 8318 1 11 . 1 1 873 873 ILE CB C 873 40.630 40.630 42.259 -1.629 19955 8319 1 11 . 1 1 873 873 ILE H H 873 8.522 8.522 8.548 -0.026 19955 8320 1 11 . 1 1 874 874 ALA N N 874 129.739 129.739 131.147 -1.408 19955 8321 1 11 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.252 -0.215 19955 8322 1 11 . 1 1 874 874 ALA C C 874 178.259 178.259 177.436 0.823 19955 8323 1 11 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.673 0.664 19955 8324 1 11 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.099 2.179 19955 8325 1 11 . 1 1 874 874 ALA H H 874 8.608 8.608 8.310 0.298 19955 8326 1 11 . 1 1 875 875 LYS N N 875 127.308 127.308 124.741 2.567 19955 8327 1 11 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.811 0.213 19955 8328 1 11 . 1 1 875 875 LYS C C 875 174.098 174.098 175.979 -1.881 19955 8329 1 11 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.639 -1.540 19955 8330 1 11 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.620 1.363 19955 8331 1 11 . 1 1 875 875 LYS H H 875 9.298 9.298 8.142 1.156 19955 8332 1 11 . 1 1 876 876 PHE N N 876 113.423 113.423 115.759 -2.336 19955 8333 1 11 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.643 0.268 19955 8334 1 11 . 1 1 876 876 PHE C C 876 174.050 174.050 175.219 -1.169 19955 8335 1 11 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.256 -2.411 19955 8336 1 11 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.353 2.389 19955 8337 1 11 . 1 1 876 876 PHE H H 876 7.328 7.328 7.316 0.012 19955 8338 1 11 . 1 1 877 877 ASN N N 877 116.437 116.437 120.148 -3.711 19955 8339 1 11 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.716 0.073 19955 8340 1 11 . 1 1 877 877 ASN C C 877 174.454 174.454 174.517 -0.063 19955 8341 1 11 . 1 1 877 877 ASN CA C 877 53.535 53.535 54.119 -0.584 19955 8342 1 11 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.725 -0.518 19955 8343 1 11 . 1 1 877 877 ASN H H 877 8.666 8.666 8.652 0.014 19955 8344 1 11 . 1 1 878 878 PHE N N 878 123.179 123.179 125.040 -1.861 19955 8345 1 11 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.776 -0.111 19955 8346 1 11 . 1 1 878 878 PHE C C 878 173.027 173.027 172.677 0.350 19955 8347 1 11 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.943 -0.839 19955 8348 1 11 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.885 -0.799 19955 8349 1 11 . 1 1 878 878 PHE H H 878 8.433 8.433 8.847 -0.414 19955 8350 1 11 . 1 1 879 879 ASN N N 879 127.113 127.113 124.953 2.160 19955 8351 1 11 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.603 -0.041 19955 8352 1 11 . 1 1 879 879 ASN C C 879 173.174 173.174 173.962 -0.788 19955 8353 1 11 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.477 -0.547 19955 8354 1 11 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.689 -0.302 19955 8355 1 11 . 1 1 879 879 ASN H H 879 8.000 8.000 8.019 -0.019 19955 8356 1 11 . 1 1 880 880 GLY N N 880 110.949 110.949 109.551 1.398 19955 8357 1 11 . 1 1 880 880 GLY C C 880 173.383 173.383 173.256 0.127 19955 8358 1 11 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.545 1.113 19955 8359 1 11 . 1 1 880 880 GLY H H 880 7.997 7.997 8.297 -0.300 19955 8360 1 11 . 1 1 881 881 ASP N N 881 122.408 122.408 122.693 -0.285 19955 8361 1 11 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.771 -0.138 19955 8362 1 11 . 1 1 881 881 ASP C C 881 176.286 176.286 177.177 -0.891 19955 8363 1 11 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.710 0.486 19955 8364 1 11 . 1 1 881 881 ASP CB C 881 43.140 43.140 42.641 0.499 19955 8365 1 11 . 1 1 881 881 ASP H H 881 8.796 8.796 8.498 0.298 19955 8366 1 11 . 1 1 882 882 THR N N 882 108.354 108.354 113.668 -5.314 19955 8367 1 11 . 1 1 882 882 THR HA H 882 4.583 4.583 4.467 0.116 19955 8368 1 11 . 1 1 882 882 THR C C 882 175.948 175.948 175.749 0.199 19955 8369 1 11 . 1 1 882 882 THR CA C 882 60.352 60.352 61.430 -1.078 19955 8370 1 11 . 1 1 882 882 THR CB C 882 71.649 71.649 70.115 1.534 19955 8371 1 11 . 1 1 882 882 THR H H 882 7.541 7.541 7.713 -0.172 19955 8372 1 11 . 1 1 883 883 GLN N N 883 118.622 118.622 119.142 -0.520 19955 8373 1 11 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.103 0.049 19955 8374 1 11 . 1 1 883 883 GLN C C 883 176.478 176.478 176.859 -0.381 19955 8375 1 11 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.344 -0.148 19955 8376 1 11 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.593 0.076 19955 8377 1 11 . 1 1 883 883 GLN H H 883 8.710 8.710 8.702 0.008 19955 8378 1 11 . 1 1 884 884 VAL N N 884 111.473 111.473 111.314 0.159 19955 8379 1 11 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.923 0.284 19955 8380 1 11 . 1 1 884 884 VAL C C 884 176.430 176.430 175.561 0.869 19955 8381 1 11 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.336 -1.043 19955 8382 1 11 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.259 0.665 19955 8383 1 11 . 1 1 884 884 VAL H H 884 7.260 7.260 7.855 -0.595 19955 8384 1 11 . 1 1 885 885 GLU N N 885 121.794 121.794 119.231 2.563 19955 8385 1 11 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.696 0.212 19955 8386 1 11 . 1 1 885 885 GLU C C 885 175.369 175.369 175.595 -0.226 19955 8387 1 11 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.460 -0.150 19955 8388 1 11 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.857 0.932 19955 8389 1 11 . 1 1 885 885 GLU H H 885 7.455 7.455 7.468 -0.013 19955 8390 1 11 . 1 1 886 886 MET N N 886 125.473 125.473 121.362 4.111 19955 8391 1 11 . 1 1 886 886 MET HA H 886 4.534 4.534 4.763 -0.229 19955 8392 1 11 . 1 1 886 886 MET C C 886 172.841 172.841 175.791 -2.950 19955 8393 1 11 . 1 1 886 886 MET CA C 886 54.129 54.129 54.121 0.008 19955 8394 1 11 . 1 1 886 886 MET CB C 886 35.157 35.157 35.144 0.013 19955 8395 1 11 . 1 1 886 886 MET H H 886 8.996 8.996 8.824 0.172 19955 8396 1 11 . 1 1 887 887 SER N N 887 118.425 118.425 114.598 3.827 19955 8397 1 11 . 1 1 887 887 SER HA H 887 4.402 4.402 4.626 -0.224 19955 8398 1 11 . 1 1 887 887 SER C C 887 174.667 174.667 173.193 1.474 19955 8399 1 11 . 1 1 887 887 SER CA C 887 58.612 58.612 57.070 1.542 19955 8400 1 11 . 1 1 887 887 SER CB C 887 64.186 64.186 65.736 -1.550 19955 8401 1 11 . 1 1 887 887 SER H H 887 7.888 7.888 8.357 -0.469 19955 8402 1 11 . 1 1 888 888 PHE N N 888 116.363 116.363 117.435 -1.072 19955 8403 1 11 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.977 -0.463 19955 8404 1 11 . 1 1 888 888 PHE C C 888 174.756 174.756 173.404 1.352 19955 8405 1 11 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.971 -0.435 19955 8406 1 11 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.814 -1.012 19955 8407 1 11 . 1 1 888 888 PHE H H 888 8.780 8.780 8.501 0.279 19955 8408 1 11 . 1 1 889 889 ARG N N 889 121.944 121.944 118.898 3.046 19955 8409 1 11 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.623 0.349 19955 8410 1 11 . 1 1 889 889 ARG C C 889 175.318 175.318 175.816 -0.498 19955 8411 1 11 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.465 -1.167 19955 8412 1 11 . 1 1 889 889 ARG CB C 889 32.886 32.886 32.637 0.249 19955 8413 1 11 . 1 1 889 889 ARG H H 889 10.187 10.187 8.688 1.499 19955 8414 1 11 . 1 1 890 890 LYS N N 890 119.991 119.991 121.587 -1.596 19955 8415 1 11 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.916 -0.668 19955 8416 1 11 . 1 1 890 890 LYS C C 890 176.504 176.504 177.708 -1.204 19955 8417 1 11 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.188 0.208 19955 8418 1 11 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.529 0.300 19955 8419 1 11 . 1 1 890 890 LYS H H 890 8.360 8.360 9.235 -0.875 19955 8420 1 11 . 1 1 891 891 GLY N N 891 113.950 113.950 115.015 -1.065 19955 8421 1 11 . 1 1 891 891 GLY C C 891 174.298 174.298 174.376 -0.078 19955 8422 1 11 . 1 1 891 891 GLY CA C 891 44.668 44.668 44.882 -0.214 19955 8423 1 11 . 1 1 891 891 GLY H H 891 8.673 8.673 8.758 -0.085 19955 8424 1 11 . 1 1 892 892 GLU N N 892 119.511 119.511 121.606 -2.095 19955 8425 1 11 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.337 -0.221 19955 8426 1 11 . 1 1 892 892 GLU C C 892 174.618 174.618 176.173 -1.555 19955 8427 1 11 . 1 1 892 892 GLU CA C 892 59.515 59.515 56.216 3.299 19955 8428 1 11 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.492 0.089 19955 8429 1 11 . 1 1 892 892 GLU H H 892 7.856 7.856 7.863 -0.007 19955 8430 1 11 . 1 1 893 893 ARG N N 893 122.979 122.979 121.559 1.420 19955 8431 1 11 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.764 -0.167 19955 8432 1 11 . 1 1 893 893 ARG C C 893 174.836 174.836 176.038 -1.202 19955 8433 1 11 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.286 -0.758 19955 8434 1 11 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.531 -0.491 19955 8435 1 11 . 1 1 893 893 ARG H H 893 8.120 8.120 8.557 -0.437 19955 8436 1 11 . 1 1 894 894 ILE N N 894 122.659 122.659 122.489 0.170 19955 8437 1 11 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.419 -0.356 19955 8438 1 11 . 1 1 894 894 ILE C C 894 175.789 175.789 174.651 1.138 19955 8439 1 11 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.131 0.135 19955 8440 1 11 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.645 0.782 19955 8441 1 11 . 1 1 894 894 ILE H H 894 8.586 8.586 9.013 -0.427 19955 8442 1 11 . 1 1 895 895 THR N N 895 124.709 124.709 121.251 3.458 19955 8443 1 11 . 1 1 895 895 THR HA H 895 4.441 4.441 4.925 -0.484 19955 8444 1 11 . 1 1 895 895 THR C C 895 174.124 174.124 174.189 -0.065 19955 8445 1 11 . 1 1 895 895 THR CA C 895 62.837 62.837 61.803 1.034 19955 8446 1 11 . 1 1 895 895 THR CB C 895 69.246 69.246 69.777 -0.531 19955 8447 1 11 . 1 1 895 895 THR H H 895 9.078 9.078 8.775 0.303 19955 8448 1 11 . 1 1 896 896 LEU N N 896 122.648 122.648 127.716 -5.068 19955 8449 1 11 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.416 -0.027 19955 8450 1 11 . 1 1 896 896 LEU C C 896 174.836 174.836 176.439 -1.603 19955 8451 1 11 . 1 1 896 896 LEU H H 896 8.583 8.583 8.229 0.354 19955 8452 1 11 . 1 1 897 897 LEU N N 897 124.502 124.502 125.161 -0.659 19955 8453 1 11 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.202 0.130 19955 8454 1 11 . 1 1 897 897 LEU C C 897 176.645 176.645 176.977 -0.332 19955 8455 1 11 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.809 0.416 19955 8456 1 11 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.156 -0.825 19955 8457 1 11 . 1 1 897 897 LEU H H 897 8.984 8.984 8.479 0.505 19955 8458 1 11 . 1 1 898 898 ARG N N 898 108.422 108.422 115.269 -6.847 19955 8459 1 11 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.602 -0.160 19955 8460 1 11 . 1 1 898 898 ARG C C 898 173.645 173.645 173.472 0.173 19955 8461 1 11 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.012 0.229 19955 8462 1 11 . 1 1 898 898 ARG CB C 898 31.609 31.609 32.003 -0.394 19955 8463 1 11 . 1 1 898 898 ARG H H 898 7.413 7.413 7.568 -0.155 19955 8464 1 11 . 1 1 899 899 GLN N N 899 124.503 124.503 120.624 3.879 19955 8465 1 11 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.620 -0.428 19955 8466 1 11 . 1 1 899 899 GLN C C 899 175.142 175.142 175.689 -0.547 19955 8467 1 11 . 1 1 899 899 GLN CA C 899 56.296 56.296 54.865 1.431 19955 8468 1 11 . 1 1 899 899 GLN CB C 899 28.489 28.489 30.407 -1.918 19955 8469 1 11 . 1 1 899 899 GLN H H 899 9.301 9.301 8.673 0.628 19955 8470 1 11 . 1 1 900 900 VAL N N 900 129.109 129.109 126.641 2.468 19955 8471 1 11 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.799 -0.133 19955 8472 1 11 . 1 1 900 900 VAL C C 900 175.298 175.298 176.389 -1.091 19955 8473 1 11 . 1 1 900 900 VAL CA C 900 64.773 64.773 64.880 -0.107 19955 8474 1 11 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.135 0.686 19955 8475 1 11 . 1 1 900 900 VAL H H 900 8.475 8.475 8.536 -0.061 19955 8476 1 11 . 1 1 901 901 ASP N N 901 118.573 118.573 118.109 0.464 19955 8477 1 11 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.932 -0.536 19955 8478 1 11 . 1 1 901 901 ASP C C 901 175.386 175.386 176.225 -0.839 19955 8479 1 11 . 1 1 901 901 ASP CA C 901 53.300 53.300 54.340 -1.040 19955 8480 1 11 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.157 -1.994 19955 8481 1 11 . 1 1 901 901 ASP H H 901 8.038 8.038 7.713 0.325 19955 8482 1 11 . 1 1 902 902 GLU N N 902 114.492 114.492 118.276 -3.784 19955 8483 1 11 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.571 -0.739 19955 8484 1 11 . 1 1 902 902 GLU C C 902 175.973 175.973 175.960 0.013 19955 8485 1 11 . 1 1 902 902 GLU CA C 902 59.095 59.095 57.143 1.952 19955 8486 1 11 . 1 1 902 902 GLU CB C 902 29.507 29.507 31.279 -1.772 19955 8487 1 11 . 1 1 902 902 GLU H H 902 8.784 8.784 8.512 0.272 19955 8488 1 11 . 1 1 903 903 ASN N N 903 113.835 113.835 116.316 -2.481 19955 8489 1 11 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.820 0.044 19955 8490 1 11 . 1 1 903 903 ASN C C 903 175.238 175.238 173.766 1.472 19955 8491 1 11 . 1 1 903 903 ASN CA C 903 53.800 53.800 53.085 0.715 19955 8492 1 11 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.522 2.688 19955 8493 1 11 . 1 1 903 903 ASN H H 903 8.763 8.763 8.378 0.385 19955 8494 1 11 . 1 1 904 904 TRP N N 904 121.517 121.517 118.961 2.556 19955 8495 1 11 . 1 1 904 904 TRP HA H 904 4.950 4.950 4.888 0.062 19955 8496 1 11 . 1 1 904 904 TRP C C 904 175.223 175.223 174.826 0.397 19955 8497 1 11 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.628 0.551 19955 8498 1 11 . 1 1 904 904 TRP CB C 904 31.286 31.286 32.605 -1.319 19955 8499 1 11 . 1 1 904 904 TRP H H 904 8.141 8.141 7.640 0.501 19955 8500 1 11 . 1 1 905 905 TYR N N 905 121.365 121.365 116.495 4.870 19955 8501 1 11 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.101 -0.185 19955 8502 1 11 . 1 1 905 905 TYR C C 905 173.702 173.702 172.550 1.152 19955 8503 1 11 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.397 0.063 19955 8504 1 11 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.338 2.063 19955 8505 1 11 . 1 1 905 905 TYR H H 905 8.550 8.550 8.348 0.202 19955 8506 1 11 . 1 1 906 906 GLU N N 906 117.356 117.356 121.111 -3.755 19955 8507 1 11 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.546 0.339 19955 8508 1 11 . 1 1 906 906 GLU C C 906 176.159 176.159 175.161 0.998 19955 8509 1 11 . 1 1 906 906 GLU CA C 906 54.795 54.795 53.938 0.857 19955 8510 1 11 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.348 -0.758 19955 8511 1 11 . 1 1 906 906 GLU H H 906 8.707 8.707 8.561 0.146 19955 8512 1 11 . 1 1 907 907 GLY N N 907 114.506 114.506 111.401 3.105 19955 8513 1 11 . 1 1 907 907 GLY C C 907 169.408 169.408 171.795 -2.387 19955 8514 1 11 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.138 0.596 19955 8515 1 11 . 1 1 907 907 GLY H H 907 9.334 9.334 8.158 1.176 19955 8516 1 11 . 1 1 908 908 ARG N N 908 114.660 114.660 117.232 -2.572 19955 8517 1 11 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.325 0.052 19955 8518 1 11 . 1 1 908 908 ARG C C 908 173.981 173.981 174.935 -0.954 19955 8519 1 11 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.312 -0.035 19955 8520 1 11 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.104 0.485 19955 8521 1 11 . 1 1 908 908 ARG H H 908 8.694 8.694 8.332 0.362 19955 8522 1 11 . 1 1 909 909 ILE N N 909 124.579 124.579 122.451 2.128 19955 8523 1 11 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.477 0.442 19955 8524 1 11 . 1 1 909 909 ILE C C 909 175.024 175.024 175.026 -0.002 19955 8525 1 11 . 1 1 909 909 ILE CA C 909 56.699 56.699 59.657 -2.958 19955 8526 1 11 . 1 1 909 909 ILE CB C 909 35.387 35.387 38.060 -2.673 19955 8527 1 11 . 1 1 909 909 ILE H H 909 7.757 7.757 8.043 -0.286 19955 8528 1 11 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.260 0.369 19955 8529 1 11 . 1 1 910 910 PRO C C 910 176.353 176.353 177.546 -1.193 19955 8530 1 11 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.287 -11.489 19955 8531 1 11 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.752 -1.343 19955 8532 1 11 . 1 1 911 911 GLY N N 911 118.118 118.118 111.717 6.401 19955 8533 1 11 . 1 1 911 911 GLY C C 911 173.987 173.987 174.002 -0.015 19955 8534 1 11 . 1 1 911 911 GLY CA C 911 45.332 45.332 44.821 0.512 19955 8535 1 11 . 1 1 911 911 GLY H H 911 7.869 7.869 8.614 -0.745 19955 8536 1 11 . 1 1 912 912 THR N N 912 109.041 109.041 113.474 -4.433 19955 8537 1 11 . 1 1 912 912 THR HA H 912 4.469 4.469 3.937 0.532 19955 8538 1 11 . 1 1 912 912 THR C C 912 174.144 174.144 173.949 0.195 19955 8539 1 11 . 1 1 912 912 THR CA C 912 60.194 60.194 63.119 -2.925 19955 8540 1 11 . 1 1 912 912 THR CB C 912 72.812 72.812 67.522 5.290 19955 8541 1 11 . 1 1 912 912 THR H H 912 7.743 7.743 8.011 -0.268 19955 8542 1 11 . 1 1 913 913 SER N N 913 126.292 126.292 117.728 8.564 19955 8543 1 11 . 1 1 913 913 SER HA H 913 4.671 4.671 4.448 0.223 19955 8544 1 11 . 1 1 913 913 SER C C 913 174.781 174.781 173.805 0.976 19955 8545 1 11 . 1 1 913 913 SER CA C 913 57.411 57.411 59.042 -1.631 19955 8546 1 11 . 1 1 913 913 SER CB C 913 63.258 63.258 64.337 -1.079 19955 8547 1 11 . 1 1 913 913 SER H H 913 7.896 7.896 8.611 -0.715 19955 8548 1 11 . 1 1 914 914 ARG N N 914 124.284 124.284 120.915 3.369 19955 8549 1 11 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.701 -0.448 19955 8550 1 11 . 1 1 914 914 ARG C C 914 174.712 174.712 174.219 0.493 19955 8551 1 11 . 1 1 914 914 ARG CA C 914 56.960 56.960 54.853 2.107 19955 8552 1 11 . 1 1 914 914 ARG CB C 914 30.694 30.694 32.731 -2.037 19955 8553 1 11 . 1 1 914 914 ARG H H 914 8.631 8.631 8.212 0.419 19955 8554 1 11 . 1 1 915 915 GLN N N 915 124.297 124.297 121.803 2.494 19955 8555 1 11 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.281 0.100 19955 8556 1 11 . 1 1 915 915 GLN C C 915 174.377 174.377 174.281 0.096 19955 8557 1 11 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.644 0.922 19955 8558 1 11 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.286 -1.280 19955 8559 1 11 . 1 1 915 915 GLN H H 915 8.054 8.054 8.573 -0.519 19955 8560 1 11 . 1 1 916 916 GLY N N 916 112.028 112.028 109.982 2.046 19955 8561 1 11 . 1 1 916 916 GLY C C 916 172.185 172.185 171.554 0.631 19955 8562 1 11 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.712 -0.465 19955 8563 1 11 . 1 1 916 916 GLY H H 916 8.818 8.818 8.488 0.330 19955 8564 1 11 . 1 1 917 917 ILE N N 917 113.634 113.634 115.790 -2.156 19955 8565 1 11 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.498 1.530 19955 8566 1 11 . 1 1 917 917 ILE C C 917 176.584 176.584 173.825 2.759 19955 8567 1 11 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.352 1.627 19955 8568 1 11 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.773 0.452 19955 8569 1 11 . 1 1 917 917 ILE H H 917 8.714 8.714 7.668 1.046 19955 8570 1 11 . 1 1 918 918 PHE N N 918 115.806 115.806 117.518 -1.712 19955 8571 1 11 . 1 1 918 918 PHE C C 918 170.959 170.959 172.534 -1.575 19955 8572 1 11 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.107 0.512 19955 8573 1 11 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.200 -0.578 19955 8574 1 11 . 1 1 918 918 PHE H H 918 8.573 8.573 7.278 1.295 19955 8575 1 11 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.291 -0.191 19955 8576 1 11 . 1 1 919 919 PRO C C 919 178.655 178.655 177.502 1.153 19955 8577 1 11 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.843 -0.845 19955 8578 1 11 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.802 -0.592 19955 8579 1 11 . 1 1 920 920 ILE N N 920 123.677 123.677 123.675 0.002 19955 8580 1 11 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.854 -0.163 19955 8581 1 11 . 1 1 920 920 ILE C C 920 176.798 176.798 178.056 -1.258 19955 8582 1 11 . 1 1 920 920 ILE CA C 920 63.373 63.373 65.122 -1.749 19955 8583 1 11 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.682 1.169 19955 8584 1 11 . 1 1 920 920 ILE H H 920 7.949 7.949 8.242 -0.293 19955 8585 1 11 . 1 1 921 921 THR N N 921 106.993 106.993 115.866 -8.873 19955 8586 1 11 . 1 1 921 921 THR HA H 921 4.294 4.294 4.043 0.251 19955 8587 1 11 . 1 1 921 921 THR C C 921 175.639 175.639 175.880 -0.241 19955 8588 1 11 . 1 1 921 921 THR CA C 921 62.983 62.983 66.764 -3.781 19955 8589 1 11 . 1 1 921 921 THR CB C 921 69.104 69.104 68.567 0.537 19955 8590 1 11 . 1 1 921 921 THR H H 921 7.500 7.500 8.382 -0.882 19955 8591 1 11 . 1 1 922 922 TYR N N 922 118.600 118.600 118.712 -0.112 19955 8592 1 11 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.740 -0.100 19955 8593 1 11 . 1 1 922 922 TYR C C 922 175.481 175.481 175.488 -0.007 19955 8594 1 11 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.415 2.033 19955 8595 1 11 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.086 0.514 19955 8596 1 11 . 1 1 922 922 TYR H H 922 7.836 7.836 7.785 0.051 19955 8597 1 11 . 1 1 923 923 VAL N N 923 109.058 109.058 112.045 -2.987 19955 8598 1 11 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.788 0.171 19955 8599 1 11 . 1 1 923 923 VAL C C 923 172.905 172.905 173.870 -0.965 19955 8600 1 11 . 1 1 923 923 VAL CA C 923 58.490 58.490 59.071 -0.581 19955 8601 1 11 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.555 -0.268 19955 8602 1 11 . 1 1 923 923 VAL H H 923 7.701 7.701 7.839 -0.138 19955 8603 1 11 . 1 1 924 924 ASP N N 924 120.115 120.115 121.720 -1.605 19955 8604 1 11 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.847 0.087 19955 8605 1 11 . 1 1 924 924 ASP C C 924 175.863 175.863 174.823 1.040 19955 8606 1 11 . 1 1 924 924 ASP CA C 924 52.934 52.934 51.981 0.953 19955 8607 1 11 . 1 1 924 924 ASP CB C 924 42.263 42.263 42.960 -0.697 19955 8608 1 11 . 1 1 924 924 ASP H H 924 8.658 8.658 8.384 0.274 19955 8609 1 11 . 1 1 925 925 VAL N N 925 125.090 125.090 126.126 -1.036 19955 8610 1 11 . 1 1 925 925 VAL HA H 925 3.679 3.679 4.037 -0.358 19955 8611 1 11 . 1 1 925 925 VAL C C 925 175.620 175.620 175.696 -0.076 19955 8612 1 11 . 1 1 925 925 VAL CA C 925 64.215 64.215 61.916 2.299 19955 8613 1 11 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.383 0.338 19955 8614 1 11 . 1 1 925 925 VAL H H 925 8.911 8.911 8.489 0.422 19955 8615 1 11 . 1 1 926 926 ILE N N 926 129.390 129.390 128.386 1.004 19955 8616 1 11 . 1 1 926 926 ILE HA H 926 4.037 4.037 3.883 0.154 19955 8617 1 11 . 1 1 926 926 ILE C C 926 175.683 175.683 176.244 -0.561 19955 8618 1 11 . 1 1 926 926 ILE CA C 926 61.578 61.578 63.087 -1.509 19955 8619 1 11 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.479 0.068 19955 8620 1 11 . 1 1 926 926 ILE H H 926 8.519 8.519 8.285 0.234 19955 8621 1 11 . 1 1 927 927 LYS N N 927 122.060 122.060 117.343 4.717 19955 8622 1 11 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.610 0.002 19955 8623 1 11 . 1 1 927 927 LYS C C 927 175.204 175.204 174.554 0.650 19955 8624 1 11 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.188 0.409 19955 8625 1 11 . 1 1 927 927 LYS CB C 927 35.633 35.633 35.237 0.396 19955 8626 1 11 . 1 1 927 927 LYS H H 927 8.017 8.017 7.463 0.554 19955 8627 1 11 . 1 1 928 928 ARG N N 928 126.441 126.441 119.548 6.893 19955 8628 1 11 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.651 -0.224 19955 8629 1 11 . 1 1 928 928 ARG C C 928 173.959 173.959 175.433 -1.474 19955 8630 1 11 . 1 1 928 928 ARG CA C 928 55.488 55.488 53.998 1.490 19955 8631 1 11 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.570 0.143 19955 8632 1 11 . 1 1 928 928 ARG H H 928 8.729 8.729 8.509 0.220 19955 8633 1 11 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.475 0.038 19955 8634 1 11 . 1 1 929 929 PRO CA C 929 62.718 62.718 64.450 -1.732 19955 8635 1 11 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.061 -0.445 19955 8636 1 12 . 1 1 790 790 MET HA H 790 4.396 4.396 4.078 0.318 19955 8637 1 12 . 1 1 790 790 MET CA C 790 55.378 55.378 55.371 0.007 19955 8638 1 12 . 1 1 790 790 MET CB C 790 32.960 32.960 31.379 1.581 19955 8639 1 12 . 1 1 791 791 SER N N 791 118.373 118.373 114.105 4.268 19955 8640 1 12 . 1 1 791 791 SER HA H 791 4.362 4.362 4.322 0.040 19955 8641 1 12 . 1 1 791 791 SER C C 791 175.043 175.043 175.854 -0.811 19955 8642 1 12 . 1 1 791 791 SER CA C 791 58.532 58.532 59.759 -1.227 19955 8643 1 12 . 1 1 791 791 SER CB C 791 63.749 63.749 63.395 0.354 19955 8644 1 12 . 1 1 791 791 SER H H 791 8.657 8.657 7.581 1.076 19955 8645 1 12 . 1 1 792 792 GLY N N 792 111.254 111.254 114.082 -2.828 19955 8646 1 12 . 1 1 792 792 GLY C C 792 174.362 174.362 175.139 -0.777 19955 8647 1 12 . 1 1 792 792 GLY CA C 792 45.539 45.539 45.747 -0.208 19955 8648 1 12 . 1 1 792 792 GLY H H 792 8.560 8.560 8.738 -0.178 19955 8649 1 12 . 1 1 793 793 SER N N 793 115.369 115.369 115.777 -0.408 19955 8650 1 12 . 1 1 793 793 SER HA H 793 4.409 4.409 4.258 0.151 19955 8651 1 12 . 1 1 793 793 SER C C 793 174.396 174.396 174.350 0.046 19955 8652 1 12 . 1 1 793 793 SER CA C 793 58.485 58.485 60.629 -2.144 19955 8653 1 12 . 1 1 793 793 SER CB C 793 63.845 63.845 63.589 0.256 19955 8654 1 12 . 1 1 793 793 SER H H 793 8.102 8.102 8.087 0.015 19955 8655 1 12 . 1 1 794 794 GLU N N 794 122.660 122.660 119.269 3.391 19955 8656 1 12 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.537 -0.327 19955 8657 1 12 . 1 1 794 794 GLU C C 794 175.970 175.970 174.370 1.600 19955 8658 1 12 . 1 1 794 794 GLU CA C 794 56.849 56.849 56.156 0.693 19955 8659 1 12 . 1 1 794 794 GLU CB C 794 30.261 30.261 31.235 -0.974 19955 8660 1 12 . 1 1 794 794 GLU H H 794 8.565 8.565 8.288 0.277 19955 8661 1 12 . 1 1 795 795 MET N N 795 119.544 119.544 119.247 0.297 19955 8662 1 12 . 1 1 795 795 MET HA H 795 4.653 4.653 5.590 -0.937 19955 8663 1 12 . 1 1 795 795 MET C C 795 175.590 175.590 174.935 0.655 19955 8664 1 12 . 1 1 795 795 MET CA C 795 55.135 55.135 54.586 0.549 19955 8665 1 12 . 1 1 795 795 MET CB C 795 32.378 32.378 36.534 -4.156 19955 8666 1 12 . 1 1 795 795 MET H H 795 8.156 8.156 8.482 -0.326 19955 8667 1 12 . 1 1 796 796 ARG N N 796 122.177 122.177 120.170 2.007 19955 8668 1 12 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.986 -0.075 19955 8669 1 12 . 1 1 796 796 ARG C C 796 173.378 173.378 173.822 -0.444 19955 8670 1 12 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.016 -0.081 19955 8671 1 12 . 1 1 796 796 ARG CB C 796 32.172 32.172 32.873 -0.701 19955 8672 1 12 . 1 1 796 796 ARG H H 796 8.358 8.358 8.772 -0.414 19955 8673 1 12 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.450 0.246 19955 8674 1 12 . 1 1 797 797 PRO C C 797 175.805 175.805 175.264 0.541 19955 8675 1 12 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.441 -0.284 19955 8676 1 12 . 1 1 797 797 PRO CB C 797 32.377 32.377 31.371 1.006 19955 8677 1 12 . 1 1 798 798 ALA N N 798 123.383 123.383 127.667 -4.284 19955 8678 1 12 . 1 1 798 798 ALA HA H 798 4.699 4.699 5.068 -0.369 19955 8679 1 12 . 1 1 798 798 ALA C C 798 173.534 173.534 175.426 -1.892 19955 8680 1 12 . 1 1 798 798 ALA CA C 798 50.823 50.823 49.630 1.193 19955 8681 1 12 . 1 1 798 798 ALA CB C 798 23.723 23.723 22.433 1.290 19955 8682 1 12 . 1 1 798 798 ALA H H 798 8.820 8.820 9.091 -0.271 19955 8683 1 12 . 1 1 799 799 ARG N N 799 118.968 118.968 122.897 -3.929 19955 8684 1 12 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.680 0.661 19955 8685 1 12 . 1 1 799 799 ARG C C 799 176.215 176.215 174.979 1.236 19955 8686 1 12 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.017 -0.895 19955 8687 1 12 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.774 0.665 19955 8688 1 12 . 1 1 799 799 ARG H H 799 8.803 8.803 8.620 0.183 19955 8689 1 12 . 1 1 800 800 ALA N N 800 128.073 128.073 129.657 -1.584 19955 8690 1 12 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.661 -0.124 19955 8691 1 12 . 1 1 800 800 ALA C C 800 178.146 178.146 176.668 1.478 19955 8692 1 12 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.795 0.413 19955 8693 1 12 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.630 -0.976 19955 8694 1 12 . 1 1 800 800 ALA H H 800 9.037 9.037 8.610 0.427 19955 8695 1 12 . 1 1 801 801 LYS N N 801 127.334 127.334 125.437 1.897 19955 8696 1 12 . 1 1 801 801 LYS HA H 801 3.758 3.758 4.058 -0.300 19955 8697 1 12 . 1 1 801 801 LYS C C 801 174.213 174.213 175.234 -1.021 19955 8698 1 12 . 1 1 801 801 LYS CA C 801 57.344 57.344 57.590 -0.246 19955 8699 1 12 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.663 -0.016 19955 8700 1 12 . 1 1 801 801 LYS H H 801 9.291 9.291 8.321 0.970 19955 8701 1 12 . 1 1 802 802 PHE N N 802 111.696 111.696 115.521 -3.825 19955 8702 1 12 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.667 0.074 19955 8703 1 12 . 1 1 802 802 PHE C C 802 173.408 173.408 174.425 -1.017 19955 8704 1 12 . 1 1 802 802 PHE CA C 802 53.369 53.369 55.895 -2.526 19955 8705 1 12 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.309 0.933 19955 8706 1 12 . 1 1 802 802 PHE H H 802 7.069 7.069 7.422 -0.353 19955 8707 1 12 . 1 1 803 803 ASP N N 803 117.498 117.498 120.604 -3.106 19955 8708 1 12 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.853 -0.329 19955 8709 1 12 . 1 1 803 803 ASP C C 803 175.782 175.782 175.000 0.782 19955 8710 1 12 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.708 1.018 19955 8711 1 12 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.251 -0.097 19955 8712 1 12 . 1 1 803 803 ASP H H 803 8.339 8.339 8.697 -0.358 19955 8713 1 12 . 1 1 804 804 PHE N N 804 123.264 123.264 121.607 1.657 19955 8714 1 12 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.776 0.216 19955 8715 1 12 . 1 1 804 804 PHE C C 804 173.750 173.750 173.780 -0.030 19955 8716 1 12 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.946 -0.725 19955 8717 1 12 . 1 1 804 804 PHE CB C 804 42.132 42.132 43.211 -1.079 19955 8718 1 12 . 1 1 804 804 PHE H H 804 9.223 9.223 9.197 0.026 19955 8719 1 12 . 1 1 805 805 LYS N N 805 129.548 129.548 127.960 1.588 19955 8720 1 12 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.289 -0.168 19955 8721 1 12 . 1 1 805 805 LYS C C 805 174.042 174.042 174.326 -0.284 19955 8722 1 12 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.426 -0.058 19955 8723 1 12 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.579 -1.798 19955 8724 1 12 . 1 1 805 805 LYS H H 805 8.125 8.125 7.889 0.236 19955 8725 1 12 . 1 1 806 806 ALA N N 806 127.231 127.231 126.831 0.400 19955 8726 1 12 . 1 1 806 806 ALA HA H 806 3.882 3.882 3.940 -0.058 19955 8727 1 12 . 1 1 806 806 ALA C C 806 178.066 178.066 177.512 0.554 19955 8728 1 12 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.289 -0.691 19955 8729 1 12 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.395 1.110 19955 8730 1 12 . 1 1 806 806 ALA H H 806 7.291 7.291 8.176 -0.885 19955 8731 1 12 . 1 1 807 807 GLN N N 807 121.482 121.482 121.140 0.342 19955 8732 1 12 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.289 0.037 19955 8733 1 12 . 1 1 807 807 GLN C C 807 175.927 175.927 176.281 -0.354 19955 8734 1 12 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.696 -0.490 19955 8735 1 12 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.594 1.348 19955 8736 1 12 . 1 1 807 807 GLN H H 807 9.375 9.375 8.848 0.527 19955 8737 1 12 . 1 1 808 808 THR N N 808 108.842 108.842 108.014 0.828 19955 8738 1 12 . 1 1 808 808 THR HA H 808 4.661 4.661 4.617 0.044 19955 8739 1 12 . 1 1 808 808 THR C C 808 175.262 175.262 174.221 1.041 19955 8740 1 12 . 1 1 808 808 THR CA C 808 59.313 59.313 59.693 -0.380 19955 8741 1 12 . 1 1 808 808 THR CB C 808 71.810 71.810 71.431 0.379 19955 8742 1 12 . 1 1 808 808 THR H H 808 7.472 7.472 7.173 0.299 19955 8743 1 12 . 1 1 809 809 LEU N N 809 119.518 119.518 119.187 0.331 19955 8744 1 12 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.132 0.068 19955 8745 1 12 . 1 1 809 809 LEU C C 809 177.895 177.895 178.116 -0.221 19955 8746 1 12 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.144 -0.057 19955 8747 1 12 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.839 0.062 19955 8748 1 12 . 1 1 809 809 LEU H H 809 8.387 8.387 8.412 -0.025 19955 8749 1 12 . 1 1 810 810 LYS N N 810 115.587 115.587 116.458 -0.871 19955 8750 1 12 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.064 0.166 19955 8751 1 12 . 1 1 810 810 LYS C C 810 177.172 177.172 176.497 0.675 19955 8752 1 12 . 1 1 810 810 LYS CA C 810 56.807 56.807 57.655 -0.848 19955 8753 1 12 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.755 0.303 19955 8754 1 12 . 1 1 810 810 LYS H H 810 7.707 7.707 7.884 -0.177 19955 8755 1 12 . 1 1 811 811 GLU N N 811 119.522 119.522 117.197 2.325 19955 8756 1 12 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.054 0.645 19955 8757 1 12 . 1 1 811 811 GLU C C 811 174.240 174.240 175.226 -0.986 19955 8758 1 12 . 1 1 811 811 GLU CA C 811 55.419 55.419 56.043 -0.624 19955 8759 1 12 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.331 2.023 19955 8760 1 12 . 1 1 811 811 GLU H H 811 7.244 7.244 7.362 -0.118 19955 8761 1 12 . 1 1 812 812 LEU N N 812 126.910 126.910 122.602 4.308 19955 8762 1 12 . 1 1 812 812 LEU C C 812 172.269 172.269 175.009 -2.740 19955 8763 1 12 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.512 -1.001 19955 8764 1 12 . 1 1 812 812 LEU CB C 812 45.092 45.092 43.730 1.362 19955 8765 1 12 . 1 1 812 812 LEU H H 812 9.168 9.168 7.878 1.290 19955 8766 1 12 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.707 -0.270 19955 8767 1 12 . 1 1 813 813 PRO C C 813 176.755 176.755 175.646 1.109 19955 8768 1 12 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.466 0.080 19955 8769 1 12 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.548 -0.573 19955 8770 1 12 . 1 1 814 814 LEU N N 814 118.726 118.726 122.459 -3.733 19955 8771 1 12 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.647 -0.001 19955 8772 1 12 . 1 1 814 814 LEU C C 814 176.452 176.452 175.498 0.954 19955 8773 1 12 . 1 1 814 814 LEU CA C 814 53.391 53.391 54.065 -0.673 19955 8774 1 12 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.824 0.072 19955 8775 1 12 . 1 1 814 814 LEU H H 814 8.532 8.532 9.079 -0.547 19955 8776 1 12 . 1 1 815 815 GLN N N 815 123.473 123.473 121.045 2.428 19955 8777 1 12 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.624 0.127 19955 8778 1 12 . 1 1 815 815 GLN C C 815 174.820 174.820 174.579 0.241 19955 8779 1 12 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.644 -0.308 19955 8780 1 12 . 1 1 815 815 GLN CB C 815 31.094 31.094 32.110 -1.016 19955 8781 1 12 . 1 1 815 815 GLN H H 815 8.938 8.938 8.559 0.379 19955 8782 1 12 . 1 1 816 816 LYS N N 816 122.982 122.982 125.585 -2.603 19955 8783 1 12 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.769 -0.654 19955 8784 1 12 . 1 1 816 816 LYS C C 816 177.030 177.030 177.431 -0.401 19955 8785 1 12 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.174 0.502 19955 8786 1 12 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.951 0.291 19955 8787 1 12 . 1 1 816 816 LYS H H 816 8.888 8.888 8.978 -0.090 19955 8788 1 12 . 1 1 817 817 GLY N N 817 115.370 115.370 115.056 0.314 19955 8789 1 12 . 1 1 817 817 GLY C C 817 174.271 174.271 173.991 0.280 19955 8790 1 12 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.657 0.004 19955 8791 1 12 . 1 1 817 817 GLY H H 817 8.870 8.870 9.221 -0.351 19955 8792 1 12 . 1 1 818 818 ASP N N 818 123.102 123.102 122.865 0.237 19955 8793 1 12 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.612 -0.283 19955 8794 1 12 . 1 1 818 818 ASP C C 818 175.076 175.076 176.117 -1.041 19955 8795 1 12 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.208 1.387 19955 8796 1 12 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.526 0.012 19955 8797 1 12 . 1 1 818 818 ASP H H 818 8.468 8.468 8.271 0.197 19955 8798 1 12 . 1 1 819 819 ILE N N 819 121.053 121.053 125.685 -4.632 19955 8799 1 12 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.564 0.256 19955 8800 1 12 . 1 1 819 819 ILE C C 819 175.630 175.630 175.711 -0.081 19955 8801 1 12 . 1 1 819 819 ILE CA C 819 58.602 58.602 59.609 -1.007 19955 8802 1 12 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.114 -0.573 19955 8803 1 12 . 1 1 819 819 ILE H H 819 8.286 8.286 8.350 -0.064 19955 8804 1 12 . 1 1 820 820 VAL N N 820 124.554 124.554 119.094 5.460 19955 8805 1 12 . 1 1 820 820 VAL HA H 820 4.679 4.679 5.033 -0.354 19955 8806 1 12 . 1 1 820 820 VAL C C 820 172.751 172.751 173.914 -1.163 19955 8807 1 12 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.850 -0.989 19955 8808 1 12 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.652 -1.280 19955 8809 1 12 . 1 1 820 820 VAL H H 820 8.717 8.717 8.861 -0.144 19955 8810 1 12 . 1 1 821 821 TYR N N 821 120.296 120.296 121.003 -0.707 19955 8811 1 12 . 1 1 821 821 TYR HA H 821 4.803 4.803 5.261 -0.458 19955 8812 1 12 . 1 1 821 821 TYR C C 821 175.760 175.760 176.357 -0.597 19955 8813 1 12 . 1 1 821 821 TYR CA C 821 56.838 56.838 55.824 1.014 19955 8814 1 12 . 1 1 821 821 TYR CB C 821 40.132 40.132 39.414 0.718 19955 8815 1 12 . 1 1 821 821 TYR H H 821 8.360 8.360 8.356 0.004 19955 8816 1 12 . 1 1 822 822 ILE N N 822 123.440 123.440 123.882 -0.442 19955 8817 1 12 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.213 -0.348 19955 8818 1 12 . 1 1 822 822 ILE C C 822 176.541 176.541 175.749 0.792 19955 8819 1 12 . 1 1 822 822 ILE CA C 822 62.327 62.327 62.724 -0.397 19955 8820 1 12 . 1 1 822 822 ILE CB C 822 39.429 39.429 37.897 1.532 19955 8821 1 12 . 1 1 822 822 ILE H H 822 8.991 8.991 8.104 0.887 19955 8822 1 12 . 1 1 823 823 TYR N N 823 127.197 127.197 125.886 1.311 19955 8823 1 12 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.699 0.369 19955 8824 1 12 . 1 1 823 823 TYR C C 823 176.327 176.327 175.844 0.483 19955 8825 1 12 . 1 1 823 823 TYR CA C 823 56.331 56.331 58.976 -2.645 19955 8826 1 12 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.734 -2.449 19955 8827 1 12 . 1 1 823 823 TYR H H 823 9.699 9.699 9.250 0.449 19955 8828 1 12 . 1 1 824 824 LYS N N 824 113.691 113.691 115.783 -2.092 19955 8829 1 12 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.677 -0.013 19955 8830 1 12 . 1 1 824 824 LYS C C 824 174.044 174.044 174.166 -0.122 19955 8831 1 12 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.135 0.166 19955 8832 1 12 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.723 0.381 19955 8833 1 12 . 1 1 824 824 LYS H H 824 7.904 7.904 7.592 0.312 19955 8834 1 12 . 1 1 825 825 GLN N N 825 122.998 122.998 122.063 0.935 19955 8835 1 12 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.422 0.192 19955 8836 1 12 . 1 1 825 825 GLN C C 825 175.372 175.372 175.602 -0.230 19955 8837 1 12 . 1 1 825 825 GLN CA C 825 55.970 55.970 55.995 -0.025 19955 8838 1 12 . 1 1 825 825 GLN CB C 825 29.014 29.014 28.831 0.183 19955 8839 1 12 . 1 1 825 825 GLN H H 825 9.091 9.091 8.773 0.318 19955 8840 1 12 . 1 1 826 826 ILE N N 826 126.911 126.911 126.427 0.484 19955 8841 1 12 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.029 -0.079 19955 8842 1 12 . 1 1 826 826 ILE C C 826 175.447 175.447 176.767 -1.320 19955 8843 1 12 . 1 1 826 826 ILE CA C 826 62.062 62.062 63.027 -0.965 19955 8844 1 12 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.226 -0.047 19955 8845 1 12 . 1 1 826 826 ILE H H 826 8.356 8.356 8.643 -0.287 19955 8846 1 12 . 1 1 827 827 ASP N N 827 118.575 118.575 116.013 2.562 19955 8847 1 12 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.865 -0.446 19955 8848 1 12 . 1 1 827 827 ASP C C 827 175.673 175.673 175.280 0.393 19955 8849 1 12 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.334 0.921 19955 8850 1 12 . 1 1 827 827 ASP CB C 827 40.120 40.120 43.301 -3.181 19955 8851 1 12 . 1 1 827 827 ASP H H 827 7.952 7.952 7.596 0.356 19955 8852 1 12 . 1 1 828 828 GLN N N 828 113.633 113.633 117.722 -4.089 19955 8853 1 12 . 1 1 828 828 GLN HA H 828 3.872 3.872 3.928 -0.056 19955 8854 1 12 . 1 1 828 828 GLN C C 828 175.745 175.745 175.668 0.077 19955 8855 1 12 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.160 0.101 19955 8856 1 12 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.751 -0.253 19955 8857 1 12 . 1 1 828 828 GLN H H 828 8.468 8.468 8.331 0.137 19955 8858 1 12 . 1 1 829 829 ASN N N 829 114.412 114.412 114.041 0.371 19955 8859 1 12 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.939 -0.197 19955 8860 1 12 . 1 1 829 829 ASN C C 829 175.652 175.652 174.863 0.789 19955 8861 1 12 . 1 1 829 829 ASN CA C 829 53.641 53.641 53.092 0.549 19955 8862 1 12 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.417 2.398 19955 8863 1 12 . 1 1 829 829 ASN H H 829 8.799 8.799 7.918 0.881 19955 8864 1 12 . 1 1 830 830 TRP N N 830 121.661 121.661 119.683 1.978 19955 8865 1 12 . 1 1 830 830 TRP HA H 830 4.810 4.810 4.770 0.040 19955 8866 1 12 . 1 1 830 830 TRP C C 830 175.077 175.077 177.161 -2.084 19955 8867 1 12 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.096 1.194 19955 8868 1 12 . 1 1 830 830 TRP CB C 830 32.570 32.570 29.869 2.700 19955 8869 1 12 . 1 1 830 830 TRP H H 830 8.033 8.033 7.417 0.616 19955 8870 1 12 . 1 1 831 831 TYR N N 831 120.163 120.163 113.586 6.577 19955 8871 1 12 . 1 1 831 831 TYR HA H 831 5.045 5.045 5.093 -0.048 19955 8872 1 12 . 1 1 831 831 TYR C C 831 173.672 173.672 172.939 0.733 19955 8873 1 12 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.631 -0.259 19955 8874 1 12 . 1 1 831 831 TYR CB C 831 42.726 42.726 41.513 1.213 19955 8875 1 12 . 1 1 831 831 TYR H H 831 8.721 8.721 8.555 0.166 19955 8876 1 12 . 1 1 832 832 GLU N N 832 117.935 117.935 120.679 -2.744 19955 8877 1 12 . 1 1 832 832 GLU HA H 832 4.937 4.937 5.054 -0.117 19955 8878 1 12 . 1 1 832 832 GLU C C 832 176.121 176.121 175.141 0.980 19955 8879 1 12 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.418 -0.014 19955 8880 1 12 . 1 1 832 832 GLU CB C 832 33.955 33.955 34.020 -0.065 19955 8881 1 12 . 1 1 832 832 GLU H H 832 8.696 8.696 8.482 0.214 19955 8882 1 12 . 1 1 833 833 GLY N N 833 115.171 115.171 111.787 3.384 19955 8883 1 12 . 1 1 833 833 GLY C C 833 168.962 168.962 171.769 -2.807 19955 8884 1 12 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.398 1.225 19955 8885 1 12 . 1 1 833 833 GLY H H 833 9.063 9.063 8.475 0.588 19955 8886 1 12 . 1 1 834 834 GLU N N 834 117.849 117.849 120.960 -3.111 19955 8887 1 12 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.650 0.039 19955 8888 1 12 . 1 1 834 834 GLU C C 834 175.077 175.077 175.512 -0.435 19955 8889 1 12 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.560 -0.594 19955 8890 1 12 . 1 1 834 834 GLU CB C 834 35.044 35.044 32.876 2.168 19955 8891 1 12 . 1 1 834 834 GLU H H 834 8.708 8.708 8.647 0.061 19955 8892 1 12 . 1 1 835 835 HIS N N 835 120.973 120.973 124.935 -3.962 19955 8893 1 12 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.180 -0.346 19955 8894 1 12 . 1 1 835 835 HIS C C 835 174.509 174.509 175.163 -0.654 19955 8895 1 12 . 1 1 835 835 HIS CA C 835 56.249 56.249 54.910 1.339 19955 8896 1 12 . 1 1 835 835 HIS CB C 835 33.211 33.211 33.081 0.130 19955 8897 1 12 . 1 1 835 835 HIS H H 835 8.799 8.799 9.522 -0.723 19955 8898 1 12 . 1 1 836 836 HIS N N 836 125.728 125.728 126.612 -0.884 19955 8899 1 12 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.119 0.047 19955 8900 1 12 . 1 1 836 836 HIS C C 836 175.012 175.012 174.725 0.287 19955 8901 1 12 . 1 1 836 836 HIS CA C 836 55.689 55.689 57.606 -1.917 19955 8902 1 12 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.704 -0.710 19955 8903 1 12 . 1 1 836 836 HIS H H 836 9.163 9.163 9.298 -0.135 19955 8904 1 12 . 1 1 837 837 GLY N N 837 104.909 104.909 102.751 2.158 19955 8905 1 12 . 1 1 837 837 GLY C C 837 173.235 173.235 174.236 -1.001 19955 8906 1 12 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.058 0.596 19955 8907 1 12 . 1 1 837 837 GLY H H 837 9.070 9.070 8.557 0.513 19955 8908 1 12 . 1 1 838 838 ARG N N 838 122.925 122.925 119.194 3.731 19955 8909 1 12 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.783 -0.190 19955 8910 1 12 . 1 1 838 838 ARG C C 838 173.682 173.682 174.423 -0.741 19955 8911 1 12 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.379 0.502 19955 8912 1 12 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.401 -1.343 19955 8913 1 12 . 1 1 838 838 ARG H H 838 7.814 7.814 8.096 -0.282 19955 8914 1 12 . 1 1 839 839 VAL N N 839 123.572 123.572 120.375 3.197 19955 8915 1 12 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.465 -0.331 19955 8916 1 12 . 1 1 839 839 VAL C C 839 177.296 177.296 175.332 1.964 19955 8917 1 12 . 1 1 839 839 VAL CA C 839 60.200 60.200 60.301 -0.101 19955 8918 1 12 . 1 1 839 839 VAL CB C 839 33.994 33.994 35.253 -1.259 19955 8919 1 12 . 1 1 839 839 VAL H H 839 8.360 8.360 8.366 -0.006 19955 8920 1 12 . 1 1 840 840 GLY N N 840 114.006 114.006 113.802 0.204 19955 8921 1 12 . 1 1 840 840 GLY C C 840 171.246 171.246 171.210 0.036 19955 8922 1 12 . 1 1 840 840 GLY CA C 840 45.896 45.896 45.520 0.376 19955 8923 1 12 . 1 1 840 840 GLY H H 840 8.951 8.951 8.119 0.832 19955 8924 1 12 . 1 1 841 841 ILE N N 841 112.496 112.496 115.810 -3.314 19955 8925 1 12 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.556 1.325 19955 8926 1 12 . 1 1 841 841 ILE C C 841 176.120 176.120 172.712 3.408 19955 8927 1 12 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.416 0.951 19955 8928 1 12 . 1 1 841 841 ILE CB C 841 40.917 40.917 40.907 0.010 19955 8929 1 12 . 1 1 841 841 ILE H H 841 8.434 8.434 7.134 1.300 19955 8930 1 12 . 1 1 842 842 PHE N N 842 116.289 116.289 119.773 -3.484 19955 8931 1 12 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.395 0.576 19955 8932 1 12 . 1 1 842 842 PHE C C 842 171.777 171.777 172.699 -0.922 19955 8933 1 12 . 1 1 842 842 PHE CA C 842 54.265 54.265 54.529 -0.264 19955 8934 1 12 . 1 1 842 842 PHE CB C 842 37.515 37.515 40.947 -3.432 19955 8935 1 12 . 1 1 842 842 PHE H H 842 8.408 8.408 7.885 0.523 19955 8936 1 12 . 1 1 843 843 PRO HA H 843 3.934 3.934 4.623 -0.689 19955 8937 1 12 . 1 1 843 843 PRO C C 843 178.228 178.228 177.458 0.770 19955 8938 1 12 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.578 -0.965 19955 8939 1 12 . 1 1 843 843 PRO CB C 843 31.395 31.395 32.056 -0.661 19955 8940 1 12 . 1 1 844 844 ARG N N 844 122.291 122.291 126.219 -3.928 19955 8941 1 12 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.111 -0.167 19955 8942 1 12 . 1 1 844 844 ARG C C 844 178.171 178.171 178.124 0.047 19955 8943 1 12 . 1 1 844 844 ARG CA C 844 58.618 58.618 60.569 -1.952 19955 8944 1 12 . 1 1 844 844 ARG CB C 844 30.297 30.297 30.346 -0.049 19955 8945 1 12 . 1 1 844 844 ARG H H 844 7.906 7.906 8.752 -0.846 19955 8946 1 12 . 1 1 845 845 THR N N 845 105.068 105.068 111.271 -6.203 19955 8947 1 12 . 1 1 845 845 THR HA H 845 4.159 4.159 4.237 -0.078 19955 8948 1 12 . 1 1 845 845 THR C C 845 175.363 175.363 175.436 -0.073 19955 8949 1 12 . 1 1 845 845 THR CA C 845 63.035 63.035 65.003 -1.968 19955 8950 1 12 . 1 1 845 845 THR CB C 845 69.022 69.022 68.084 0.938 19955 8951 1 12 . 1 1 845 845 THR H H 845 7.907 7.907 8.620 -0.713 19955 8952 1 12 . 1 1 846 846 TYR N N 846 118.977 118.977 119.984 -1.007 19955 8953 1 12 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.747 -0.212 19955 8954 1 12 . 1 1 846 846 TYR C C 846 174.917 174.917 174.733 0.184 19955 8955 1 12 . 1 1 846 846 TYR CA C 846 58.751 58.751 59.101 -0.350 19955 8956 1 12 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.175 -1.120 19955 8957 1 12 . 1 1 846 846 TYR H H 846 7.611 7.611 7.776 -0.165 19955 8958 1 12 . 1 1 847 847 ILE N N 847 113.230 113.230 112.692 0.538 19955 8959 1 12 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.152 -0.053 19955 8960 1 12 . 1 1 847 847 ILE C C 847 174.141 174.141 174.625 -0.484 19955 8961 1 12 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.308 -0.854 19955 8962 1 12 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.370 -0.179 19955 8963 1 12 . 1 1 847 847 ILE H H 847 7.390 7.390 7.831 -0.441 19955 8964 1 12 . 1 1 848 848 GLU N N 848 121.909 121.909 120.523 1.386 19955 8965 1 12 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.675 -0.127 19955 8966 1 12 . 1 1 848 848 GLU C C 848 175.193 175.193 175.621 -0.428 19955 8967 1 12 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.438 -0.774 19955 8968 1 12 . 1 1 848 848 GLU CB C 848 32.624 32.624 32.707 -0.083 19955 8969 1 12 . 1 1 848 848 GLU H H 848 8.786 8.786 8.724 0.062 19955 8970 1 12 . 1 1 849 849 LEU N N 849 126.431 126.431 126.714 -0.283 19955 8971 1 12 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.059 0.032 19955 8972 1 12 . 1 1 849 849 LEU C C 849 177.019 177.019 176.832 0.187 19955 8973 1 12 . 1 1 849 849 LEU CA C 849 55.667 55.667 55.068 0.599 19955 8974 1 12 . 1 1 849 849 LEU CB C 849 41.542 41.542 41.234 0.308 19955 8975 1 12 . 1 1 849 849 LEU H H 849 8.730 8.730 8.724 0.006 19955 8976 1 12 . 1 1 850 850 LEU N N 850 123.942 123.942 124.028 -0.086 19955 8977 1 12 . 1 1 850 850 LEU HA H 850 4.562 4.562 3.998 0.564 19955 8978 1 12 . 1 1 850 850 LEU C C 850 174.453 174.453 174.381 0.072 19955 8979 1 12 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.115 -1.310 19955 8980 1 12 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.674 -0.711 19955 8981 1 12 . 1 1 850 850 LEU H H 850 7.846 7.846 8.262 -0.416 19955 8982 1 12 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.243 0.086 19955 8983 1 12 . 1 1 852 852 PRO C C 852 176.580 176.580 176.655 -0.075 19955 8984 1 12 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.053 -0.150 19955 8985 1 12 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.043 -0.278 19955 8986 1 12 . 1 1 853 853 ALA N N 853 124.102 124.102 122.869 1.233 19955 8987 1 12 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.224 0.016 19955 8988 1 12 . 1 1 853 853 ALA C C 853 177.767 177.767 177.243 0.524 19955 8989 1 12 . 1 1 853 853 ALA CA C 853 52.258 52.258 52.076 0.182 19955 8990 1 12 . 1 1 853 853 ALA CB C 853 19.516 19.516 17.585 1.931 19955 8991 1 12 . 1 1 853 853 ALA H H 853 8.354 8.354 8.202 0.152 19955 8992 1 12 . 1 1 854 854 GLU N N 854 120.540 120.540 120.535 0.005 19955 8993 1 12 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.175 0.028 19955 8994 1 12 . 1 1 854 854 GLU C C 854 176.402 176.402 176.671 -0.269 19955 8995 1 12 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.436 -0.056 19955 8996 1 12 . 1 1 854 854 GLU CB C 854 30.432 30.432 30.509 -0.077 19955 8997 1 12 . 1 1 854 854 GLU H H 854 8.348 8.348 8.514 -0.166 19955 8998 1 12 . 1 1 855 855 LYS N N 855 122.717 122.717 119.103 3.614 19955 8999 1 12 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.667 -0.452 19955 9000 1 12 . 1 1 855 855 LYS C C 855 176.078 176.078 175.310 0.768 19955 9001 1 12 . 1 1 855 855 LYS CA C 855 56.018 56.018 55.346 0.672 19955 9002 1 12 . 1 1 855 855 LYS CB C 855 33.187 33.187 33.810 -0.623 19955 9003 1 12 . 1 1 855 855 LYS H H 855 8.305 8.305 8.234 0.071 19955 9004 1 12 . 1 1 856 856 ALA N N 856 125.584 125.584 126.327 -0.743 19955 9005 1 12 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.356 -0.115 19955 9006 1 12 . 1 1 856 856 ALA C C 856 177.276 177.276 176.923 0.353 19955 9007 1 12 . 1 1 856 856 ALA CA C 856 52.046 52.046 51.913 0.133 19955 9008 1 12 . 1 1 856 856 ALA CB C 856 19.294 19.294 19.282 0.012 19955 9009 1 12 . 1 1 856 856 ALA H H 856 8.219 8.219 8.504 -0.285 19955 9010 1 12 . 1 1 857 857 GLN N N 857 121.223 121.223 121.786 -0.563 19955 9011 1 12 . 1 1 857 857 GLN C C 857 173.964 173.964 173.933 0.031 19955 9012 1 12 . 1 1 857 857 GLN CA C 857 53.490 53.490 53.546 -0.056 19955 9013 1 12 . 1 1 857 857 GLN CB C 857 29.040 29.040 27.331 1.709 19955 9014 1 12 . 1 1 857 857 GLN H H 857 8.333 8.333 8.365 -0.032 19955 9015 1 12 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.285 0.053 19955 9016 1 12 . 1 1 858 858 PRO C C 858 176.696 176.696 176.139 0.557 19955 9017 1 12 . 1 1 858 858 PRO CA C 858 62.910 62.910 63.102 -0.192 19955 9018 1 12 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.194 -0.119 19955 9019 1 12 . 1 1 859 859 LYS N N 859 121.891 121.891 122.077 -0.186 19955 9020 1 12 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.504 -0.314 19955 9021 1 12 . 1 1 859 859 LYS C C 859 176.382 176.382 176.658 -0.276 19955 9022 1 12 . 1 1 859 859 LYS CA C 859 56.130 56.130 54.883 1.247 19955 9023 1 12 . 1 1 859 859 LYS CB C 859 33.070 33.070 34.584 -1.514 19955 9024 1 12 . 1 1 859 859 LYS H H 859 8.355 8.355 8.207 0.148 19955 9025 1 12 . 1 1 860 860 LYS N N 860 123.002 123.002 122.618 0.384 19955 9026 1 12 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.303 -0.058 19955 9027 1 12 . 1 1 860 860 LYS C C 860 176.131 176.131 175.836 0.295 19955 9028 1 12 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.591 -0.739 19955 9029 1 12 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.890 0.258 19955 9030 1 12 . 1 1 860 860 LYS H H 860 8.267 8.267 8.348 -0.081 19955 9031 1 12 . 1 1 861 861 LEU N N 861 124.576 124.576 121.089 3.487 19955 9032 1 12 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.573 -0.217 19955 9033 1 12 . 1 1 861 861 LEU C C 861 177.069 177.069 176.966 0.103 19955 9034 1 12 . 1 1 861 861 LEU CA C 861 54.795 54.795 55.006 -0.211 19955 9035 1 12 . 1 1 861 861 LEU CB C 861 42.350 42.350 43.134 -0.784 19955 9036 1 12 . 1 1 861 861 LEU H H 861 8.316 8.316 8.498 -0.182 19955 9037 1 12 . 1 1 862 862 THR N N 862 117.878 117.878 113.980 3.898 19955 9038 1 12 . 1 1 862 862 THR HA H 862 4.729 4.729 4.616 0.113 19955 9039 1 12 . 1 1 862 862 THR C C 862 172.639 172.639 172.976 -0.337 19955 9040 1 12 . 1 1 862 862 THR CA C 862 59.644 59.644 58.712 0.932 19955 9041 1 12 . 1 1 862 862 THR CB C 862 69.476 69.476 68.867 0.609 19955 9042 1 12 . 1 1 862 862 THR H H 862 8.162 8.162 8.261 -0.099 19955 9043 1 12 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.471 -0.103 19955 9044 1 12 . 1 1 863 863 PRO C C 863 176.753 176.753 176.393 0.360 19955 9045 1 12 . 1 1 863 863 PRO CA C 863 63.192 63.192 63.190 0.003 19955 9046 1 12 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.265 -0.207 19955 9047 1 12 . 1 1 864 864 VAL N N 864 120.359 120.359 120.600 -0.241 19955 9048 1 12 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.179 -0.194 19955 9049 1 12 . 1 1 864 864 VAL C C 864 175.964 175.964 175.462 0.502 19955 9050 1 12 . 1 1 864 864 VAL CA C 864 62.342 62.342 60.788 1.554 19955 9051 1 12 . 1 1 864 864 VAL CB C 864 32.521 32.521 32.873 -0.352 19955 9052 1 12 . 1 1 864 864 VAL H H 864 8.102 8.102 7.958 0.144 19955 9053 1 12 . 1 1 865 865 GLN N N 865 124.642 124.642 119.445 5.197 19955 9054 1 12 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.098 0.188 19955 9055 1 12 . 1 1 865 865 GLN C C 865 175.443 175.443 175.775 -0.332 19955 9056 1 12 . 1 1 865 865 GLN CA C 865 55.595 55.595 56.098 -0.503 19955 9057 1 12 . 1 1 865 865 GLN CB C 865 29.739 29.739 27.733 2.006 19955 9058 1 12 . 1 1 865 865 GLN H H 865 8.333 8.333 8.486 -0.153 19955 9059 1 12 . 1 1 866 866 VAL N N 866 123.436 123.436 112.976 10.460 19955 9060 1 12 . 1 1 866 866 VAL HA H 866 3.969 3.969 3.972 -0.003 19955 9061 1 12 . 1 1 866 866 VAL C C 866 175.685 175.685 176.120 -0.435 19955 9062 1 12 . 1 1 866 866 VAL CA C 866 62.398 62.398 62.261 0.137 19955 9063 1 12 . 1 1 866 866 VAL CB C 866 32.832 32.832 32.378 0.454 19955 9064 1 12 . 1 1 866 866 VAL H H 866 8.189 8.189 7.606 0.583 19955 9065 1 12 . 1 1 867 867 LEU N N 867 127.515 127.515 121.892 5.623 19955 9066 1 12 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.454 -0.192 19955 9067 1 12 . 1 1 867 867 LEU C C 867 177.037 177.037 177.211 -0.174 19955 9068 1 12 . 1 1 867 867 LEU CA C 867 55.688 55.688 54.291 1.397 19955 9069 1 12 . 1 1 867 867 LEU CB C 867 42.552 42.552 40.380 2.172 19955 9070 1 12 . 1 1 867 867 LEU H H 867 8.679 8.679 8.315 0.364 19955 9071 1 12 . 1 1 868 868 GLU N N 868 120.794 120.794 125.396 -4.602 19955 9072 1 12 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.020 0.199 19955 9073 1 12 . 1 1 868 868 GLU C C 868 175.353 175.353 175.749 -0.396 19955 9074 1 12 . 1 1 868 868 GLU CA C 868 55.753 55.753 57.948 -2.195 19955 9075 1 12 . 1 1 868 868 GLU CB C 868 31.419 31.419 29.818 1.601 19955 9076 1 12 . 1 1 868 868 GLU H H 868 8.272 8.272 8.310 -0.038 19955 9077 1 12 . 1 1 869 869 TYR N N 869 121.165 121.165 117.390 3.775 19955 9078 1 12 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.434 0.266 19955 9079 1 12 . 1 1 869 869 TYR C C 869 176.824 176.824 176.845 -0.021 19955 9080 1 12 . 1 1 869 869 TYR CA C 869 56.809 56.809 58.837 -2.028 19955 9081 1 12 . 1 1 869 869 TYR CB C 869 38.650 38.650 39.036 -0.386 19955 9082 1 12 . 1 1 869 869 TYR H H 869 8.003 8.003 7.893 0.110 19955 9083 1 12 . 1 1 870 870 GLY N N 870 104.958 104.958 109.439 -4.481 19955 9084 1 12 . 1 1 870 870 GLY C C 870 173.846 173.846 173.514 0.332 19955 9085 1 12 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.637 -0.418 19955 9086 1 12 . 1 1 870 870 GLY H H 870 8.590 8.590 8.559 0.031 19955 9087 1 12 . 1 1 871 871 GLU N N 871 122.341 122.341 118.173 4.168 19955 9088 1 12 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.343 -0.121 19955 9089 1 12 . 1 1 871 871 GLU C C 871 173.827 173.827 174.548 -0.721 19955 9090 1 12 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.615 1.244 19955 9091 1 12 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.448 0.486 19955 9092 1 12 . 1 1 871 871 GLU H H 871 9.246 9.246 7.861 1.385 19955 9093 1 12 . 1 1 872 872 ALA N N 872 126.709 126.709 122.448 4.261 19955 9094 1 12 . 1 1 872 872 ALA HA H 872 5.104 5.104 4.966 0.138 19955 9095 1 12 . 1 1 872 872 ALA C C 872 174.022 174.022 174.676 -0.654 19955 9096 1 12 . 1 1 872 872 ALA CA C 872 50.135 50.135 51.186 -1.051 19955 9097 1 12 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.831 1.667 19955 9098 1 12 . 1 1 872 872 ALA H H 872 9.266 9.266 9.244 0.022 19955 9099 1 12 . 1 1 873 873 ILE N N 873 118.554 118.554 120.350 -1.796 19955 9100 1 12 . 1 1 873 873 ILE HA H 873 4.614 4.614 5.106 -0.492 19955 9101 1 12 . 1 1 873 873 ILE C C 873 176.132 176.132 175.953 0.179 19955 9102 1 12 . 1 1 873 873 ILE CA C 873 58.788 58.788 57.438 1.350 19955 9103 1 12 . 1 1 873 873 ILE CB C 873 40.630 40.630 40.037 0.593 19955 9104 1 12 . 1 1 873 873 ILE H H 873 8.522 8.522 8.785 -0.263 19955 9105 1 12 . 1 1 874 874 ALA N N 874 129.739 129.739 131.197 -1.458 19955 9106 1 12 . 1 1 874 874 ALA HA H 874 4.037 4.037 3.947 0.090 19955 9107 1 12 . 1 1 874 874 ALA C C 874 178.259 178.259 176.908 1.351 19955 9108 1 12 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.919 0.418 19955 9109 1 12 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.038 2.240 19955 9110 1 12 . 1 1 874 874 ALA H H 874 8.608 8.608 8.329 0.279 19955 9111 1 12 . 1 1 875 875 LYS N N 875 127.308 127.308 124.548 2.760 19955 9112 1 12 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.979 0.045 19955 9113 1 12 . 1 1 875 875 LYS C C 875 174.098 174.098 175.839 -1.741 19955 9114 1 12 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.221 -1.122 19955 9115 1 12 . 1 1 875 875 LYS CB C 875 33.984 33.984 33.267 0.717 19955 9116 1 12 . 1 1 875 875 LYS H H 875 9.298 9.298 8.658 0.640 19955 9117 1 12 . 1 1 876 876 PHE N N 876 113.423 113.423 116.166 -2.743 19955 9118 1 12 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.647 0.264 19955 9119 1 12 . 1 1 876 876 PHE C C 876 174.050 174.050 175.222 -1.172 19955 9120 1 12 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.031 -2.186 19955 9121 1 12 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.476 2.266 19955 9122 1 12 . 1 1 876 876 PHE H H 876 7.328 7.328 7.571 -0.243 19955 9123 1 12 . 1 1 877 877 ASN N N 877 116.437 116.437 120.129 -3.692 19955 9124 1 12 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.675 0.114 19955 9125 1 12 . 1 1 877 877 ASN C C 877 174.454 174.454 174.069 0.385 19955 9126 1 12 . 1 1 877 877 ASN CA C 877 53.535 53.535 53.622 -0.087 19955 9127 1 12 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.880 -0.673 19955 9128 1 12 . 1 1 877 877 ASN H H 877 8.666 8.666 8.649 0.017 19955 9129 1 12 . 1 1 878 878 PHE N N 878 123.179 123.179 122.254 0.925 19955 9130 1 12 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.619 0.046 19955 9131 1 12 . 1 1 878 878 PHE C C 878 173.027 173.027 172.920 0.107 19955 9132 1 12 . 1 1 878 878 PHE CA C 878 56.104 56.104 57.423 -1.319 19955 9133 1 12 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.258 -0.172 19955 9134 1 12 . 1 1 878 878 PHE H H 878 8.433 8.433 8.934 -0.501 19955 9135 1 12 . 1 1 879 879 ASN N N 879 127.113 127.113 124.442 2.671 19955 9136 1 12 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.583 -0.021 19955 9137 1 12 . 1 1 879 879 ASN C C 879 173.174 173.174 173.960 -0.786 19955 9138 1 12 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.786 -0.856 19955 9139 1 12 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.558 -0.171 19955 9140 1 12 . 1 1 879 879 ASN H H 879 8.000 8.000 8.088 -0.088 19955 9141 1 12 . 1 1 880 880 GLY N N 880 110.949 110.949 109.324 1.625 19955 9142 1 12 . 1 1 880 880 GLY C C 880 173.383 173.383 173.813 -0.430 19955 9143 1 12 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.861 0.797 19955 9144 1 12 . 1 1 880 880 GLY H H 880 7.997 7.997 7.956 0.041 19955 9145 1 12 . 1 1 881 881 ASP N N 881 122.408 122.408 117.069 5.339 19955 9146 1 12 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.610 0.023 19955 9147 1 12 . 1 1 881 881 ASP C C 881 176.286 176.286 176.512 -0.226 19955 9148 1 12 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.469 0.727 19955 9149 1 12 . 1 1 881 881 ASP CB C 881 43.140 43.140 42.009 1.131 19955 9150 1 12 . 1 1 881 881 ASP H H 881 8.796 8.796 8.434 0.362 19955 9151 1 12 . 1 1 882 882 THR N N 882 108.354 108.354 112.857 -4.503 19955 9152 1 12 . 1 1 882 882 THR HA H 882 4.583 4.583 4.545 0.038 19955 9153 1 12 . 1 1 882 882 THR C C 882 175.948 175.948 176.300 -0.352 19955 9154 1 12 . 1 1 882 882 THR CA C 882 60.352 60.352 61.234 -0.882 19955 9155 1 12 . 1 1 882 882 THR CB C 882 71.649 71.649 69.840 1.810 19955 9156 1 12 . 1 1 882 882 THR H H 882 7.541 7.541 7.736 -0.195 19955 9157 1 12 . 1 1 883 883 GLN N N 883 118.622 118.622 121.039 -2.417 19955 9158 1 12 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.112 0.040 19955 9159 1 12 . 1 1 883 883 GLN C C 883 176.478 176.478 176.798 -0.320 19955 9160 1 12 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.185 0.011 19955 9161 1 12 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.112 0.557 19955 9162 1 12 . 1 1 883 883 GLN H H 883 8.710 8.710 8.790 -0.080 19955 9163 1 12 . 1 1 884 884 VAL N N 884 111.473 111.473 110.209 1.264 19955 9164 1 12 . 1 1 884 884 VAL HA H 884 4.207 4.207 4.042 0.165 19955 9165 1 12 . 1 1 884 884 VAL C C 884 176.430 176.430 175.330 1.100 19955 9166 1 12 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.385 -1.092 19955 9167 1 12 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.307 0.617 19955 9168 1 12 . 1 1 884 884 VAL H H 884 7.260 7.260 7.917 -0.657 19955 9169 1 12 . 1 1 885 885 GLU N N 885 121.794 121.794 119.043 2.751 19955 9170 1 12 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.807 0.101 19955 9171 1 12 . 1 1 885 885 GLU C C 885 175.369 175.369 175.149 0.220 19955 9172 1 12 . 1 1 885 885 GLU CA C 885 55.310 55.310 54.900 0.410 19955 9173 1 12 . 1 1 885 885 GLU CB C 885 31.789 31.789 31.975 -0.186 19955 9174 1 12 . 1 1 885 885 GLU H H 885 7.455 7.455 7.524 -0.069 19955 9175 1 12 . 1 1 886 886 MET N N 886 125.473 125.473 124.271 1.202 19955 9176 1 12 . 1 1 886 886 MET HA H 886 4.534 4.534 4.779 -0.245 19955 9177 1 12 . 1 1 886 886 MET C C 886 172.841 172.841 175.257 -2.416 19955 9178 1 12 . 1 1 886 886 MET CA C 886 54.129 54.129 54.258 -0.129 19955 9179 1 12 . 1 1 886 886 MET CB C 886 35.157 35.157 33.323 1.834 19955 9180 1 12 . 1 1 886 886 MET H H 886 8.996 8.996 8.913 0.083 19955 9181 1 12 . 1 1 887 887 SER N N 887 118.425 118.425 122.806 -4.381 19955 9182 1 12 . 1 1 887 887 SER HA H 887 4.402 4.402 4.172 0.230 19955 9183 1 12 . 1 1 887 887 SER C C 887 174.667 174.667 174.192 0.475 19955 9184 1 12 . 1 1 887 887 SER CA C 887 58.612 58.612 58.890 -0.278 19955 9185 1 12 . 1 1 887 887 SER CB C 887 64.186 64.186 63.403 0.783 19955 9186 1 12 . 1 1 887 887 SER H H 887 7.888 7.888 8.506 -0.618 19955 9187 1 12 . 1 1 888 888 PHE N N 888 116.363 116.363 119.444 -3.081 19955 9188 1 12 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.914 -0.400 19955 9189 1 12 . 1 1 888 888 PHE C C 888 174.756 174.756 172.921 1.835 19955 9190 1 12 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.307 0.229 19955 9191 1 12 . 1 1 888 888 PHE CB C 888 39.802 39.802 41.426 -1.624 19955 9192 1 12 . 1 1 888 888 PHE H H 888 8.780 8.780 8.093 0.687 19955 9193 1 12 . 1 1 889 889 ARG N N 889 121.944 121.944 120.894 1.050 19955 9194 1 12 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.702 0.270 19955 9195 1 12 . 1 1 889 889 ARG C C 889 175.318 175.318 175.876 -0.558 19955 9196 1 12 . 1 1 889 889 ARG CA C 889 53.298 53.298 53.821 -0.523 19955 9197 1 12 . 1 1 889 889 ARG CB C 889 32.886 32.886 33.792 -0.906 19955 9198 1 12 . 1 1 889 889 ARG H H 889 10.187 10.187 8.797 1.390 19955 9199 1 12 . 1 1 890 890 LYS N N 890 119.991 119.991 123.887 -3.896 19955 9200 1 12 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.871 -0.623 19955 9201 1 12 . 1 1 890 890 LYS C C 890 176.504 176.504 177.569 -1.065 19955 9202 1 12 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.637 -0.241 19955 9203 1 12 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.514 0.315 19955 9204 1 12 . 1 1 890 890 LYS H H 890 8.360 8.360 8.728 -0.368 19955 9205 1 12 . 1 1 891 891 GLY N N 891 113.950 113.950 113.639 0.311 19955 9206 1 12 . 1 1 891 891 GLY C C 891 174.298 174.298 174.703 -0.405 19955 9207 1 12 . 1 1 891 891 GLY CA C 891 44.668 44.668 45.105 -0.437 19955 9208 1 12 . 1 1 891 891 GLY H H 891 8.673 8.673 8.492 0.181 19955 9209 1 12 . 1 1 892 892 GLU N N 892 119.511 119.511 120.777 -1.266 19955 9210 1 12 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.351 -0.235 19955 9211 1 12 . 1 1 892 892 GLU C C 892 174.618 174.618 175.441 -0.823 19955 9212 1 12 . 1 1 892 892 GLU CA C 892 59.515 59.515 55.929 3.586 19955 9213 1 12 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.861 -0.281 19955 9214 1 12 . 1 1 892 892 GLU H H 892 7.856 7.856 7.890 -0.034 19955 9215 1 12 . 1 1 893 893 ARG N N 893 122.979 122.979 123.292 -0.313 19955 9216 1 12 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.728 -0.131 19955 9217 1 12 . 1 1 893 893 ARG C C 893 174.836 174.836 175.656 -0.820 19955 9218 1 12 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.032 -0.504 19955 9219 1 12 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.216 -0.176 19955 9220 1 12 . 1 1 893 893 ARG H H 893 8.120 8.120 8.596 -0.476 19955 9221 1 12 . 1 1 894 894 ILE N N 894 122.659 122.659 127.115 -4.456 19955 9222 1 12 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.426 -0.363 19955 9223 1 12 . 1 1 894 894 ILE C C 894 175.789 175.789 174.327 1.462 19955 9224 1 12 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.091 0.175 19955 9225 1 12 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.486 0.941 19955 9226 1 12 . 1 1 894 894 ILE H H 894 8.586 8.586 9.144 -0.558 19955 9227 1 12 . 1 1 895 895 THR N N 895 124.709 124.709 121.580 3.129 19955 9228 1 12 . 1 1 895 895 THR HA H 895 4.441 4.441 5.048 -0.607 19955 9229 1 12 . 1 1 895 895 THR C C 895 174.124 174.124 174.267 -0.143 19955 9230 1 12 . 1 1 895 895 THR CA C 895 62.837 62.837 61.047 1.790 19955 9231 1 12 . 1 1 895 895 THR CB C 895 69.246 69.246 69.478 -0.232 19955 9232 1 12 . 1 1 895 895 THR H H 895 9.078 9.078 8.721 0.357 19955 9233 1 12 . 1 1 896 896 LEU N N 896 122.648 122.648 127.989 -5.341 19955 9234 1 12 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.432 -0.043 19955 9235 1 12 . 1 1 896 896 LEU C C 896 174.836 174.836 176.586 -1.750 19955 9236 1 12 . 1 1 896 896 LEU H H 896 8.583 8.583 8.279 0.304 19955 9237 1 12 . 1 1 897 897 LEU N N 897 124.502 124.502 124.160 0.342 19955 9238 1 12 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.663 -0.331 19955 9239 1 12 . 1 1 897 897 LEU C C 897 176.645 176.645 177.262 -0.617 19955 9240 1 12 . 1 1 897 897 LEU CA C 897 56.226 56.226 56.206 0.020 19955 9241 1 12 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.189 -0.858 19955 9242 1 12 . 1 1 897 897 LEU H H 897 8.984 8.984 8.627 0.357 19955 9243 1 12 . 1 1 898 898 ARG N N 898 108.422 108.422 114.876 -6.454 19955 9244 1 12 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.604 -0.162 19955 9245 1 12 . 1 1 898 898 ARG C C 898 173.645 173.645 173.628 0.017 19955 9246 1 12 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.282 -0.041 19955 9247 1 12 . 1 1 898 898 ARG CB C 898 31.609 31.609 31.849 -0.241 19955 9248 1 12 . 1 1 898 898 ARG H H 898 7.413 7.413 7.519 -0.106 19955 9249 1 12 . 1 1 899 899 GLN N N 899 124.503 124.503 119.656 4.847 19955 9250 1 12 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.663 -0.471 19955 9251 1 12 . 1 1 899 899 GLN C C 899 175.142 175.142 176.032 -0.890 19955 9252 1 12 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.233 1.063 19955 9253 1 12 . 1 1 899 899 GLN CB C 899 28.489 28.489 28.972 -0.483 19955 9254 1 12 . 1 1 899 899 GLN H H 899 9.301 9.301 8.693 0.608 19955 9255 1 12 . 1 1 900 900 VAL N N 900 129.109 129.109 126.849 2.260 19955 9256 1 12 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.837 -0.171 19955 9257 1 12 . 1 1 900 900 VAL C C 900 175.298 175.298 176.399 -1.101 19955 9258 1 12 . 1 1 900 900 VAL CA C 900 64.773 64.773 64.434 0.339 19955 9259 1 12 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.388 0.433 19955 9260 1 12 . 1 1 900 900 VAL H H 900 8.475 8.475 8.563 -0.088 19955 9261 1 12 . 1 1 901 901 ASP N N 901 118.573 118.573 115.687 2.886 19955 9262 1 12 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.863 -0.467 19955 9263 1 12 . 1 1 901 901 ASP C C 901 175.386 175.386 176.385 -0.999 19955 9264 1 12 . 1 1 901 901 ASP CA C 901 53.300 53.300 52.951 0.349 19955 9265 1 12 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.557 -2.394 19955 9266 1 12 . 1 1 901 901 ASP H H 901 8.038 8.038 7.934 0.104 19955 9267 1 12 . 1 1 902 902 GLU N N 902 114.492 114.492 119.389 -4.897 19955 9268 1 12 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.164 -0.332 19955 9269 1 12 . 1 1 902 902 GLU C C 902 175.973 175.973 176.795 -0.822 19955 9270 1 12 . 1 1 902 902 GLU CA C 902 59.095 59.095 59.252 -0.157 19955 9271 1 12 . 1 1 902 902 GLU CB C 902 29.507 29.507 29.561 -0.053 19955 9272 1 12 . 1 1 902 902 GLU H H 902 8.784 8.784 8.502 0.282 19955 9273 1 12 . 1 1 903 903 ASN N N 903 113.835 113.835 115.767 -1.932 19955 9274 1 12 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.842 0.022 19955 9275 1 12 . 1 1 903 903 ASN C C 903 175.238 175.238 172.889 2.349 19955 9276 1 12 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.474 1.327 19955 9277 1 12 . 1 1 903 903 ASN CB C 903 42.210 42.210 38.902 3.308 19955 9278 1 12 . 1 1 903 903 ASN H H 903 8.763 8.763 8.407 0.356 19955 9279 1 12 . 1 1 904 904 TRP N N 904 121.517 121.517 118.145 3.372 19955 9280 1 12 . 1 1 904 904 TRP HA H 904 4.950 4.950 5.000 -0.050 19955 9281 1 12 . 1 1 904 904 TRP C C 904 175.223 175.223 174.904 0.319 19955 9282 1 12 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.521 0.658 19955 9283 1 12 . 1 1 904 904 TRP CB C 904 31.286 31.286 33.245 -1.959 19955 9284 1 12 . 1 1 904 904 TRP H H 904 8.141 8.141 7.226 0.915 19955 9285 1 12 . 1 1 905 905 TYR N N 905 121.365 121.365 116.976 4.389 19955 9286 1 12 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.159 -0.243 19955 9287 1 12 . 1 1 905 905 TYR C C 905 173.702 173.702 172.672 1.030 19955 9288 1 12 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.407 0.053 19955 9289 1 12 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.485 1.916 19955 9290 1 12 . 1 1 905 905 TYR H H 905 8.550 8.550 8.528 0.022 19955 9291 1 12 . 1 1 906 906 GLU N N 906 117.356 117.356 121.297 -3.941 19955 9292 1 12 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.588 0.297 19955 9293 1 12 . 1 1 906 906 GLU C C 906 176.159 176.159 175.122 1.037 19955 9294 1 12 . 1 1 906 906 GLU CA C 906 54.795 54.795 54.069 0.726 19955 9295 1 12 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.310 -0.720 19955 9296 1 12 . 1 1 906 906 GLU H H 906 8.707 8.707 8.422 0.285 19955 9297 1 12 . 1 1 907 907 GLY N N 907 114.506 114.506 111.772 2.734 19955 9298 1 12 . 1 1 907 907 GLY C C 907 169.408 169.408 171.798 -2.390 19955 9299 1 12 . 1 1 907 907 GLY CA C 907 45.734 45.734 44.750 0.984 19955 9300 1 12 . 1 1 907 907 GLY H H 907 9.334 9.334 8.582 0.752 19955 9301 1 12 . 1 1 908 908 ARG N N 908 114.660 114.660 117.354 -2.694 19955 9302 1 12 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.303 0.074 19955 9303 1 12 . 1 1 908 908 ARG C C 908 173.981 173.981 174.995 -1.014 19955 9304 1 12 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.199 0.078 19955 9305 1 12 . 1 1 908 908 ARG CB C 908 34.589 34.589 33.662 0.927 19955 9306 1 12 . 1 1 908 908 ARG H H 908 8.694 8.694 8.516 0.178 19955 9307 1 12 . 1 1 909 909 ILE N N 909 124.579 124.579 121.827 2.752 19955 9308 1 12 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.596 0.323 19955 9309 1 12 . 1 1 909 909 ILE C C 909 175.024 175.024 174.767 0.257 19955 9310 1 12 . 1 1 909 909 ILE CA C 909 56.699 56.699 58.124 -1.425 19955 9311 1 12 . 1 1 909 909 ILE CB C 909 35.387 35.387 37.492 -2.105 19955 9312 1 12 . 1 1 909 909 ILE H H 909 7.757 7.757 8.304 -0.547 19955 9313 1 12 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.216 0.413 19955 9314 1 12 . 1 1 910 910 PRO C C 910 176.353 176.353 177.402 -1.049 19955 9315 1 12 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.380 -11.582 19955 9316 1 12 . 1 1 910 910 PRO CB C 910 30.408 30.408 32.002 -1.594 19955 9317 1 12 . 1 1 911 911 GLY N N 911 118.118 118.118 110.080 8.038 19955 9318 1 12 . 1 1 911 911 GLY C C 911 173.987 173.987 174.159 -0.172 19955 9319 1 12 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.319 0.013 19955 9320 1 12 . 1 1 911 911 GLY H H 911 7.869 7.869 8.542 -0.673 19955 9321 1 12 . 1 1 912 912 THR N N 912 109.041 109.041 110.732 -1.691 19955 9322 1 12 . 1 1 912 912 THR HA H 912 4.469 4.469 3.855 0.614 19955 9323 1 12 . 1 1 912 912 THR C C 912 174.144 174.144 174.800 -0.656 19955 9324 1 12 . 1 1 912 912 THR CA C 912 60.194 60.194 63.093 -2.900 19955 9325 1 12 . 1 1 912 912 THR CB C 912 72.812 72.812 67.921 4.891 19955 9326 1 12 . 1 1 912 912 THR H H 912 7.743 7.743 7.986 -0.243 19955 9327 1 12 . 1 1 913 913 SER N N 913 126.292 126.292 116.448 9.844 19955 9328 1 12 . 1 1 913 913 SER HA H 913 4.671 4.671 4.260 0.411 19955 9329 1 12 . 1 1 913 913 SER C C 913 174.781 174.781 174.901 -0.120 19955 9330 1 12 . 1 1 913 913 SER CA C 913 57.411 57.411 61.302 -3.891 19955 9331 1 12 . 1 1 913 913 SER CB C 913 63.258 63.258 63.689 -0.431 19955 9332 1 12 . 1 1 913 913 SER H H 913 7.896 7.896 8.182 -0.286 19955 9333 1 12 . 1 1 914 914 ARG N N 914 124.284 124.284 117.390 6.894 19955 9334 1 12 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.562 -0.309 19955 9335 1 12 . 1 1 914 914 ARG C C 914 174.712 174.712 173.463 1.249 19955 9336 1 12 . 1 1 914 914 ARG CA C 914 56.960 56.960 56.161 0.799 19955 9337 1 12 . 1 1 914 914 ARG CB C 914 30.694 30.694 33.339 -2.645 19955 9338 1 12 . 1 1 914 914 ARG H H 914 8.631 8.631 7.810 0.821 19955 9339 1 12 . 1 1 915 915 GLN N N 915 124.297 124.297 123.082 1.215 19955 9340 1 12 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.288 0.093 19955 9341 1 12 . 1 1 915 915 GLN C C 915 174.377 174.377 174.107 0.270 19955 9342 1 12 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.226 1.340 19955 9343 1 12 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.963 -1.957 19955 9344 1 12 . 1 1 915 915 GLN H H 915 8.054 8.054 8.716 -0.662 19955 9345 1 12 . 1 1 916 916 GLY N N 916 112.028 112.028 110.086 1.942 19955 9346 1 12 . 1 1 916 916 GLY C C 916 172.185 172.185 171.502 0.683 19955 9347 1 12 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.307 -0.060 19955 9348 1 12 . 1 1 916 916 GLY H H 916 8.818 8.818 8.869 -0.051 19955 9349 1 12 . 1 1 917 917 ILE N N 917 113.634 113.634 115.241 -1.607 19955 9350 1 12 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.450 1.578 19955 9351 1 12 . 1 1 917 917 ILE C C 917 176.584 176.584 173.263 3.321 19955 9352 1 12 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.216 1.763 19955 9353 1 12 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.908 0.317 19955 9354 1 12 . 1 1 917 917 ILE H H 917 8.714 8.714 7.431 1.283 19955 9355 1 12 . 1 1 918 918 PHE N N 918 115.806 115.806 117.513 -1.707 19955 9356 1 12 . 1 1 918 918 PHE C C 918 170.959 170.959 172.606 -1.647 19955 9357 1 12 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.262 0.357 19955 9358 1 12 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.373 -0.751 19955 9359 1 12 . 1 1 918 918 PHE H H 918 8.573 8.573 7.432 1.141 19955 9360 1 12 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.389 -0.289 19955 9361 1 12 . 1 1 919 919 PRO C C 919 178.655 178.655 177.830 0.825 19955 9362 1 12 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.947 -0.949 19955 9363 1 12 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.841 -0.631 19955 9364 1 12 . 1 1 920 920 ILE N N 920 123.677 123.677 123.005 0.672 19955 9365 1 12 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.782 -0.091 19955 9366 1 12 . 1 1 920 920 ILE C C 920 176.798 176.798 177.777 -0.979 19955 9367 1 12 . 1 1 920 920 ILE CA C 920 63.373 63.373 64.963 -1.590 19955 9368 1 12 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.490 1.361 19955 9369 1 12 . 1 1 920 920 ILE H H 920 7.949 7.949 7.997 -0.048 19955 9370 1 12 . 1 1 921 921 THR N N 921 106.993 106.993 113.887 -6.894 19955 9371 1 12 . 1 1 921 921 THR HA H 921 4.294 4.294 4.136 0.158 19955 9372 1 12 . 1 1 921 921 THR C C 921 175.639 175.639 175.453 0.186 19955 9373 1 12 . 1 1 921 921 THR CA C 921 62.983 62.983 65.049 -2.066 19955 9374 1 12 . 1 1 921 921 THR CB C 921 69.104 69.104 68.454 0.650 19955 9375 1 12 . 1 1 921 921 THR H H 921 7.500 7.500 8.016 -0.516 19955 9376 1 12 . 1 1 922 922 TYR N N 922 118.600 118.600 119.879 -1.279 19955 9377 1 12 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.859 -0.219 19955 9378 1 12 . 1 1 922 922 TYR C C 922 175.481 175.481 174.793 0.688 19955 9379 1 12 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.503 1.945 19955 9380 1 12 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.865 -0.265 19955 9381 1 12 . 1 1 922 922 TYR H H 922 7.836 7.836 7.794 0.042 19955 9382 1 12 . 1 1 923 923 VAL N N 923 109.058 109.058 113.886 -4.828 19955 9383 1 12 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.690 0.269 19955 9384 1 12 . 1 1 923 923 VAL C C 923 172.905 172.905 174.371 -1.466 19955 9385 1 12 . 1 1 923 923 VAL CA C 923 58.490 58.490 58.793 -0.303 19955 9386 1 12 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.198 0.089 19955 9387 1 12 . 1 1 923 923 VAL H H 923 7.701 7.701 7.623 0.078 19955 9388 1 12 . 1 1 924 924 ASP N N 924 120.115 120.115 122.040 -1.925 19955 9389 1 12 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.837 0.097 19955 9390 1 12 . 1 1 924 924 ASP C C 924 175.863 175.863 175.032 0.831 19955 9391 1 12 . 1 1 924 924 ASP CA C 924 52.934 52.934 51.926 1.008 19955 9392 1 12 . 1 1 924 924 ASP CB C 924 42.263 42.263 43.652 -1.389 19955 9393 1 12 . 1 1 924 924 ASP H H 924 8.658 8.658 8.543 0.115 19955 9394 1 12 . 1 1 925 925 VAL N N 925 125.090 125.090 120.130 4.960 19955 9395 1 12 . 1 1 925 925 VAL HA H 925 3.679 3.679 4.266 -0.587 19955 9396 1 12 . 1 1 925 925 VAL C C 925 175.620 175.620 174.809 0.811 19955 9397 1 12 . 1 1 925 925 VAL CA C 925 64.215 64.215 60.408 3.807 19955 9398 1 12 . 1 1 925 925 VAL CB C 925 31.721 31.721 32.645 -0.924 19955 9399 1 12 . 1 1 925 925 VAL H H 925 8.911 8.911 8.386 0.525 19955 9400 1 12 . 1 1 926 926 ILE N N 926 129.390 129.390 123.937 5.453 19955 9401 1 12 . 1 1 926 926 ILE HA H 926 4.037 4.037 4.248 -0.211 19955 9402 1 12 . 1 1 926 926 ILE C C 926 175.683 175.683 175.490 0.193 19955 9403 1 12 . 1 1 926 926 ILE CA C 926 61.578 61.578 61.693 -0.115 19955 9404 1 12 . 1 1 926 926 ILE CB C 926 38.547 38.547 39.698 -1.151 19955 9405 1 12 . 1 1 926 926 ILE H H 926 8.519 8.519 8.335 0.184 19955 9406 1 12 . 1 1 927 927 LYS N N 927 122.060 122.060 120.864 1.196 19955 9407 1 12 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.538 0.074 19955 9408 1 12 . 1 1 927 927 LYS C C 927 175.204 175.204 174.554 0.650 19955 9409 1 12 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.536 0.061 19955 9410 1 12 . 1 1 927 927 LYS CB C 927 35.633 35.633 34.753 0.880 19955 9411 1 12 . 1 1 927 927 LYS H H 927 8.017 8.017 7.490 0.527 19955 9412 1 12 . 1 1 928 928 ARG N N 928 126.441 126.441 124.462 1.979 19955 9413 1 12 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.505 -0.078 19955 9414 1 12 . 1 1 928 928 ARG C C 928 173.959 173.959 174.565 -0.606 19955 9415 1 12 . 1 1 928 928 ARG CA C 928 55.488 55.488 54.476 1.012 19955 9416 1 12 . 1 1 928 928 ARG CB C 928 29.713 29.713 28.767 0.946 19955 9417 1 12 . 1 1 928 928 ARG H H 928 8.729 8.729 8.500 0.229 19955 9418 1 12 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.182 0.331 19955 9419 1 12 . 1 1 929 929 PRO CA C 929 62.718 62.718 63.238 -0.520 19955 9420 1 12 . 1 1 929 929 PRO CB C 929 31.616 31.616 31.954 -0.338 19955 9421 1 13 . 1 1 790 790 MET HA H 790 4.396 4.396 4.081 0.315 19955 9422 1 13 . 1 1 790 790 MET CA C 790 55.378 55.378 56.989 -1.611 19955 9423 1 13 . 1 1 790 790 MET CB C 790 32.960 32.960 31.141 1.819 19955 9424 1 13 . 1 1 791 791 SER N N 791 118.373 118.373 115.703 2.670 19955 9425 1 13 . 1 1 791 791 SER HA H 791 4.362 4.362 4.191 0.171 19955 9426 1 13 . 1 1 791 791 SER C C 791 175.043 175.043 174.661 0.382 19955 9427 1 13 . 1 1 791 791 SER CA C 791 58.532 58.532 58.927 -0.395 19955 9428 1 13 . 1 1 791 791 SER CB C 791 63.749 63.749 63.135 0.614 19955 9429 1 13 . 1 1 791 791 SER H H 791 8.657 8.657 8.311 0.346 19955 9430 1 13 . 1 1 792 792 GLY N N 792 111.254 111.254 107.930 3.324 19955 9431 1 13 . 1 1 792 792 GLY C C 792 174.362 174.362 173.502 0.860 19955 9432 1 13 . 1 1 792 792 GLY CA C 792 45.539 45.539 44.874 0.665 19955 9433 1 13 . 1 1 792 792 GLY H H 792 8.560 8.560 8.525 0.035 19955 9434 1 13 . 1 1 793 793 SER N N 793 115.369 115.369 114.467 0.902 19955 9435 1 13 . 1 1 793 793 SER HA H 793 4.409 4.409 4.572 -0.163 19955 9436 1 13 . 1 1 793 793 SER C C 793 174.396 174.396 174.412 -0.016 19955 9437 1 13 . 1 1 793 793 SER CA C 793 58.485 58.485 58.463 0.022 19955 9438 1 13 . 1 1 793 793 SER CB C 793 63.845 63.845 64.480 -0.635 19955 9439 1 13 . 1 1 793 793 SER H H 793 8.102 8.102 8.629 -0.527 19955 9440 1 13 . 1 1 794 794 GLU N N 794 122.660 122.660 122.934 -0.274 19955 9441 1 13 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.666 -0.456 19955 9442 1 13 . 1 1 794 794 GLU C C 794 175.970 175.970 174.789 1.181 19955 9443 1 13 . 1 1 794 794 GLU CA C 794 56.849 56.849 56.083 0.766 19955 9444 1 13 . 1 1 794 794 GLU CB C 794 30.261 30.261 30.767 -0.506 19955 9445 1 13 . 1 1 794 794 GLU H H 794 8.565 8.565 8.503 0.062 19955 9446 1 13 . 1 1 795 795 MET N N 795 119.544 119.544 123.445 -3.901 19955 9447 1 13 . 1 1 795 795 MET HA H 795 4.653 4.653 5.412 -0.759 19955 9448 1 13 . 1 1 795 795 MET C C 795 175.590 175.590 175.361 0.229 19955 9449 1 13 . 1 1 795 795 MET CA C 795 55.135 55.135 54.963 0.172 19955 9450 1 13 . 1 1 795 795 MET CB C 795 32.378 32.378 35.751 -3.373 19955 9451 1 13 . 1 1 795 795 MET H H 795 8.156 8.156 8.739 -0.583 19955 9452 1 13 . 1 1 796 796 ARG N N 796 122.177 122.177 123.826 -1.649 19955 9453 1 13 . 1 1 796 796 ARG HA H 796 4.911 4.911 5.130 -0.219 19955 9454 1 13 . 1 1 796 796 ARG C C 796 173.378 173.378 173.861 -0.483 19955 9455 1 13 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.086 -0.151 19955 9456 1 13 . 1 1 796 796 ARG CB C 796 32.172 32.172 33.477 -1.304 19955 9457 1 13 . 1 1 796 796 ARG H H 796 8.358 8.358 8.639 -0.281 19955 9458 1 13 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.551 0.145 19955 9459 1 13 . 1 1 797 797 PRO C C 797 175.805 175.805 175.552 0.253 19955 9460 1 13 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.254 -0.097 19955 9461 1 13 . 1 1 797 797 PRO CB C 797 32.377 32.377 32.647 -0.270 19955 9462 1 13 . 1 1 798 798 ALA N N 798 123.383 123.383 121.169 2.214 19955 9463 1 13 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.860 -0.161 19955 9464 1 13 . 1 1 798 798 ALA C C 798 173.534 173.534 174.973 -1.439 19955 9465 1 13 . 1 1 798 798 ALA CA C 798 50.823 50.823 51.038 -0.215 19955 9466 1 13 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.249 0.474 19955 9467 1 13 . 1 1 798 798 ALA H H 798 8.820 8.820 8.063 0.757 19955 9468 1 13 . 1 1 799 799 ARG N N 799 118.968 118.968 120.297 -1.329 19955 9469 1 13 . 1 1 799 799 ARG HA H 799 5.341 5.341 5.089 0.252 19955 9470 1 13 . 1 1 799 799 ARG C C 799 176.215 176.215 174.443 1.772 19955 9471 1 13 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.283 -1.161 19955 9472 1 13 . 1 1 799 799 ARG CB C 799 34.439 34.439 34.656 -0.217 19955 9473 1 13 . 1 1 799 799 ARG H H 799 8.803 8.803 8.579 0.224 19955 9474 1 13 . 1 1 800 800 ALA N N 800 128.073 128.073 129.724 -1.651 19955 9475 1 13 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.534 0.003 19955 9476 1 13 . 1 1 800 800 ALA C C 800 178.146 178.146 177.104 1.042 19955 9477 1 13 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.691 0.517 19955 9478 1 13 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.237 -0.583 19955 9479 1 13 . 1 1 800 800 ALA H H 800 9.037 9.037 8.889 0.148 19955 9480 1 13 . 1 1 801 801 LYS N N 801 127.334 127.334 125.798 1.536 19955 9481 1 13 . 1 1 801 801 LYS HA H 801 3.758 3.758 3.741 0.017 19955 9482 1 13 . 1 1 801 801 LYS C C 801 174.213 174.213 176.112 -1.899 19955 9483 1 13 . 1 1 801 801 LYS CA C 801 57.344 57.344 58.843 -1.500 19955 9484 1 13 . 1 1 801 801 LYS CB C 801 33.647 33.647 32.732 0.915 19955 9485 1 13 . 1 1 801 801 LYS H H 801 9.291 9.291 8.525 0.766 19955 9486 1 13 . 1 1 802 802 PHE N N 802 111.696 111.696 115.036 -3.340 19955 9487 1 13 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.584 0.157 19955 9488 1 13 . 1 1 802 802 PHE C C 802 173.408 173.408 173.812 -0.404 19955 9489 1 13 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.476 -3.107 19955 9490 1 13 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.329 0.913 19955 9491 1 13 . 1 1 802 802 PHE H H 802 7.069 7.069 7.544 -0.475 19955 9492 1 13 . 1 1 803 803 ASP N N 803 117.498 117.498 121.693 -4.195 19955 9493 1 13 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.753 -0.229 19955 9494 1 13 . 1 1 803 803 ASP C C 803 175.782 175.782 175.602 0.180 19955 9495 1 13 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.689 1.037 19955 9496 1 13 . 1 1 803 803 ASP CB C 803 41.154 41.154 40.707 0.447 19955 9497 1 13 . 1 1 803 803 ASP H H 803 8.339 8.339 8.531 -0.192 19955 9498 1 13 . 1 1 804 804 PHE N N 804 123.264 123.264 126.391 -3.127 19955 9499 1 13 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.555 0.437 19955 9500 1 13 . 1 1 804 804 PHE C C 804 173.750 173.750 174.740 -0.990 19955 9501 1 13 . 1 1 804 804 PHE CA C 804 56.221 56.221 55.978 0.243 19955 9502 1 13 . 1 1 804 804 PHE CB C 804 42.132 42.132 40.404 1.728 19955 9503 1 13 . 1 1 804 804 PHE H H 804 9.223 9.223 7.572 1.651 19955 9504 1 13 . 1 1 805 805 LYS N N 805 129.548 129.548 128.722 0.826 19955 9505 1 13 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.428 -0.307 19955 9506 1 13 . 1 1 805 805 LYS C C 805 174.042 174.042 175.332 -1.290 19955 9507 1 13 . 1 1 805 805 LYS CA C 805 54.368 54.368 55.124 -0.756 19955 9508 1 13 . 1 1 805 805 LYS CB C 805 31.781 31.781 32.942 -1.161 19955 9509 1 13 . 1 1 805 805 LYS H H 805 8.125 8.125 8.846 -0.721 19955 9510 1 13 . 1 1 806 806 ALA N N 806 127.231 127.231 128.827 -1.596 19955 9511 1 13 . 1 1 806 806 ALA HA H 806 3.882 3.882 3.748 0.134 19955 9512 1 13 . 1 1 806 806 ALA C C 806 178.066 178.066 177.353 0.713 19955 9513 1 13 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.700 -1.102 19955 9514 1 13 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.272 1.233 19955 9515 1 13 . 1 1 806 806 ALA H H 806 7.291 7.291 8.552 -1.261 19955 9516 1 13 . 1 1 807 807 GLN N N 807 121.482 121.482 121.367 0.115 19955 9517 1 13 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.431 -0.105 19955 9518 1 13 . 1 1 807 807 GLN C C 807 175.927 175.927 176.128 -0.201 19955 9519 1 13 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.420 -0.214 19955 9520 1 13 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.836 1.106 19955 9521 1 13 . 1 1 807 807 GLN H H 807 9.375 9.375 9.049 0.326 19955 9522 1 13 . 1 1 808 808 THR N N 808 108.842 108.842 110.042 -1.200 19955 9523 1 13 . 1 1 808 808 THR HA H 808 4.661 4.661 4.628 0.033 19955 9524 1 13 . 1 1 808 808 THR C C 808 175.262 175.262 175.141 0.121 19955 9525 1 13 . 1 1 808 808 THR CA C 808 59.313 59.313 60.150 -0.837 19955 9526 1 13 . 1 1 808 808 THR CB C 808 71.810 71.810 71.740 0.070 19955 9527 1 13 . 1 1 808 808 THR H H 808 7.472 7.472 7.279 0.193 19955 9528 1 13 . 1 1 809 809 LEU N N 809 119.518 119.518 118.968 0.550 19955 9529 1 13 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.140 0.060 19955 9530 1 13 . 1 1 809 809 LEU C C 809 177.895 177.895 177.139 0.756 19955 9531 1 13 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.111 -0.024 19955 9532 1 13 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.608 0.293 19955 9533 1 13 . 1 1 809 809 LEU H H 809 8.387 8.387 8.463 -0.076 19955 9534 1 13 . 1 1 810 810 LYS N N 810 115.587 115.587 117.076 -1.489 19955 9535 1 13 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.063 0.167 19955 9536 1 13 . 1 1 810 810 LYS C C 810 177.172 177.172 176.858 0.314 19955 9537 1 13 . 1 1 810 810 LYS CA C 810 56.807 56.807 58.268 -1.461 19955 9538 1 13 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.524 0.535 19955 9539 1 13 . 1 1 810 810 LYS H H 810 7.707 7.707 8.020 -0.313 19955 9540 1 13 . 1 1 811 811 GLU N N 811 119.522 119.522 117.890 1.632 19955 9541 1 13 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.407 0.292 19955 9542 1 13 . 1 1 811 811 GLU C C 811 174.240 174.240 175.144 -0.904 19955 9543 1 13 . 1 1 811 811 GLU CA C 811 55.419 55.419 55.566 -0.147 19955 9544 1 13 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.735 1.619 19955 9545 1 13 . 1 1 811 811 GLU H H 811 7.244 7.244 7.403 -0.159 19955 9546 1 13 . 1 1 812 812 LEU N N 812 126.910 126.910 123.978 2.932 19955 9547 1 13 . 1 1 812 812 LEU C C 812 172.269 172.269 175.383 -3.114 19955 9548 1 13 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.318 -0.807 19955 9549 1 13 . 1 1 812 812 LEU CB C 812 45.092 45.092 42.393 2.699 19955 9550 1 13 . 1 1 812 812 LEU H H 812 9.168 9.168 8.552 0.616 19955 9551 1 13 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.572 -0.135 19955 9552 1 13 . 1 1 813 813 PRO C C 813 176.755 176.755 175.275 1.480 19955 9553 1 13 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.491 0.055 19955 9554 1 13 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.434 -0.459 19955 9555 1 13 . 1 1 814 814 LEU N N 814 118.726 118.726 122.313 -3.587 19955 9556 1 13 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.400 0.246 19955 9557 1 13 . 1 1 814 814 LEU C C 814 176.452 176.452 175.458 0.994 19955 9558 1 13 . 1 1 814 814 LEU CA C 814 53.391 53.391 52.602 0.789 19955 9559 1 13 . 1 1 814 814 LEU CB C 814 46.896 46.896 45.789 1.107 19955 9560 1 13 . 1 1 814 814 LEU H H 814 8.532 8.532 7.958 0.574 19955 9561 1 13 . 1 1 815 815 GLN N N 815 123.473 123.473 119.584 3.889 19955 9562 1 13 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.517 0.234 19955 9563 1 13 . 1 1 815 815 GLN C C 815 174.820 174.820 174.792 0.028 19955 9564 1 13 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.838 -0.502 19955 9565 1 13 . 1 1 815 815 GLN CB C 815 31.094 31.094 32.315 -1.221 19955 9566 1 13 . 1 1 815 815 GLN H H 815 8.938 8.938 8.341 0.597 19955 9567 1 13 . 1 1 816 816 LYS N N 816 122.982 122.982 127.862 -4.880 19955 9568 1 13 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.762 -0.647 19955 9569 1 13 . 1 1 816 816 LYS C C 816 177.030 177.030 177.272 -0.242 19955 9570 1 13 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.017 0.659 19955 9571 1 13 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.833 0.409 19955 9572 1 13 . 1 1 816 816 LYS H H 816 8.888 8.888 8.946 -0.058 19955 9573 1 13 . 1 1 817 817 GLY N N 817 115.370 115.370 115.889 -0.519 19955 9574 1 13 . 1 1 817 817 GLY C C 817 174.271 174.271 174.519 -0.248 19955 9575 1 13 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.552 0.109 19955 9576 1 13 . 1 1 817 817 GLY H H 817 8.870 8.870 8.909 -0.039 19955 9577 1 13 . 1 1 818 818 ASP N N 818 123.102 123.102 122.305 0.797 19955 9578 1 13 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.551 -0.222 19955 9579 1 13 . 1 1 818 818 ASP C C 818 175.076 175.076 175.593 -0.517 19955 9580 1 13 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.710 0.885 19955 9581 1 13 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.633 -0.095 19955 9582 1 13 . 1 1 818 818 ASP H H 818 8.468 8.468 8.052 0.416 19955 9583 1 13 . 1 1 819 819 ILE N N 819 121.053 121.053 124.819 -3.766 19955 9584 1 13 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.585 0.235 19955 9585 1 13 . 1 1 819 819 ILE C C 819 175.630 175.630 176.029 -0.399 19955 9586 1 13 . 1 1 819 819 ILE CA C 819 58.602 58.602 59.866 -1.264 19955 9587 1 13 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.885 -1.344 19955 9588 1 13 . 1 1 819 819 ILE H H 819 8.286 8.286 8.155 0.131 19955 9589 1 13 . 1 1 820 820 VAL N N 820 124.554 124.554 119.701 4.853 19955 9590 1 13 . 1 1 820 820 VAL HA H 820 4.679 4.679 4.666 0.013 19955 9591 1 13 . 1 1 820 820 VAL C C 820 172.751 172.751 173.670 -0.919 19955 9592 1 13 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.987 -1.126 19955 9593 1 13 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.186 -0.814 19955 9594 1 13 . 1 1 820 820 VAL H H 820 8.717 8.717 8.306 0.411 19955 9595 1 13 . 1 1 821 821 TYR N N 821 120.296 120.296 120.322 -0.026 19955 9596 1 13 . 1 1 821 821 TYR HA H 821 4.803 4.803 5.089 -0.286 19955 9597 1 13 . 1 1 821 821 TYR C C 821 175.760 175.760 176.064 -0.304 19955 9598 1 13 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.802 0.036 19955 9599 1 13 . 1 1 821 821 TYR CB C 821 40.132 40.132 40.666 -0.534 19955 9600 1 13 . 1 1 821 821 TYR H H 821 8.360 8.360 7.913 0.447 19955 9601 1 13 . 1 1 822 822 ILE N N 822 123.440 123.440 123.975 -0.535 19955 9602 1 13 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.630 -0.765 19955 9603 1 13 . 1 1 822 822 ILE C C 822 176.541 176.541 176.093 0.448 19955 9604 1 13 . 1 1 822 822 ILE CA C 822 62.327 62.327 61.505 0.822 19955 9605 1 13 . 1 1 822 822 ILE CB C 822 39.429 39.429 38.593 0.836 19955 9606 1 13 . 1 1 822 822 ILE H H 822 8.991 8.991 8.831 0.160 19955 9607 1 13 . 1 1 823 823 TYR N N 823 127.197 127.197 125.500 1.697 19955 9608 1 13 . 1 1 823 823 TYR HA H 823 5.068 5.068 5.335 -0.267 19955 9609 1 13 . 1 1 823 823 TYR C C 823 176.327 176.327 174.415 1.912 19955 9610 1 13 . 1 1 823 823 TYR CA C 823 56.331 56.331 55.852 0.479 19955 9611 1 13 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.624 -2.339 19955 9612 1 13 . 1 1 823 823 TYR H H 823 9.699 9.699 8.218 1.481 19955 9613 1 13 . 1 1 824 824 LYS N N 824 113.691 113.691 119.285 -5.594 19955 9614 1 13 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.312 0.352 19955 9615 1 13 . 1 1 824 824 LYS C C 824 174.044 174.044 173.565 0.479 19955 9616 1 13 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.914 -0.613 19955 9617 1 13 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.805 0.299 19955 9618 1 13 . 1 1 824 824 LYS H H 824 7.904 7.904 7.003 0.901 19955 9619 1 13 . 1 1 825 825 GLN N N 825 122.998 122.998 125.170 -2.172 19955 9620 1 13 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.188 0.426 19955 9621 1 13 . 1 1 825 825 GLN C C 825 175.372 175.372 175.087 0.285 19955 9622 1 13 . 1 1 825 825 GLN CA C 825 55.970 55.970 55.322 0.648 19955 9623 1 13 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.341 -0.327 19955 9624 1 13 . 1 1 825 825 GLN H H 825 9.091 9.091 8.656 0.435 19955 9625 1 13 . 1 1 826 826 ILE N N 826 126.911 126.911 127.100 -0.189 19955 9626 1 13 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.065 -0.115 19955 9627 1 13 . 1 1 826 826 ILE C C 826 175.447 175.447 176.433 -0.986 19955 9628 1 13 . 1 1 826 826 ILE CA C 826 62.062 62.062 62.026 0.036 19955 9629 1 13 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.209 -0.030 19955 9630 1 13 . 1 1 826 826 ILE H H 826 8.356 8.356 8.375 -0.019 19955 9631 1 13 . 1 1 827 827 ASP N N 827 118.575 118.575 116.763 1.812 19955 9632 1 13 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.788 -0.369 19955 9633 1 13 . 1 1 827 827 ASP C C 827 175.673 175.673 174.787 0.886 19955 9634 1 13 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.679 0.576 19955 9635 1 13 . 1 1 827 827 ASP CB C 827 40.120 40.120 42.693 -2.573 19955 9636 1 13 . 1 1 827 827 ASP H H 827 7.952 7.952 7.654 0.298 19955 9637 1 13 . 1 1 828 828 GLN N N 828 113.633 113.633 118.181 -4.548 19955 9638 1 13 . 1 1 828 828 GLN HA H 828 3.872 3.872 3.979 -0.107 19955 9639 1 13 . 1 1 828 828 GLN C C 828 175.745 175.745 176.699 -0.954 19955 9640 1 13 . 1 1 828 828 GLN CA C 828 58.261 58.261 59.451 -1.190 19955 9641 1 13 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.968 -0.470 19955 9642 1 13 . 1 1 828 828 GLN H H 828 8.468 8.468 8.498 -0.030 19955 9643 1 13 . 1 1 829 829 ASN N N 829 114.412 114.412 113.499 0.913 19955 9644 1 13 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.868 -0.126 19955 9645 1 13 . 1 1 829 829 ASN C C 829 175.652 175.652 173.834 1.818 19955 9646 1 13 . 1 1 829 829 ASN CA C 829 53.641 53.641 53.178 0.463 19955 9647 1 13 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.132 2.683 19955 9648 1 13 . 1 1 829 829 ASN H H 829 8.799 8.799 8.454 0.345 19955 9649 1 13 . 1 1 830 830 TRP N N 830 121.661 121.661 118.766 2.895 19955 9650 1 13 . 1 1 830 830 TRP HA H 830 4.810 4.810 5.148 -0.338 19955 9651 1 13 . 1 1 830 830 TRP C C 830 175.077 175.077 175.741 -0.664 19955 9652 1 13 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.835 0.455 19955 9653 1 13 . 1 1 830 830 TRP CB C 830 32.570 32.570 31.321 1.249 19955 9654 1 13 . 1 1 830 830 TRP H H 830 8.033 8.033 7.705 0.328 19955 9655 1 13 . 1 1 831 831 TYR N N 831 120.163 120.163 120.674 -0.511 19955 9656 1 13 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.758 0.287 19955 9657 1 13 . 1 1 831 831 TYR C C 831 173.672 173.672 173.455 0.217 19955 9658 1 13 . 1 1 831 831 TYR CA C 831 56.372 56.372 57.386 -1.014 19955 9659 1 13 . 1 1 831 831 TYR CB C 831 42.726 42.726 43.108 -0.382 19955 9660 1 13 . 1 1 831 831 TYR H H 831 8.721 8.721 9.376 -0.655 19955 9661 1 13 . 1 1 832 832 GLU N N 832 117.935 117.935 121.160 -3.225 19955 9662 1 13 . 1 1 832 832 GLU HA H 832 4.937 4.937 5.118 -0.181 19955 9663 1 13 . 1 1 832 832 GLU C C 832 176.121 176.121 174.886 1.235 19955 9664 1 13 . 1 1 832 832 GLU CA C 832 54.404 54.404 53.989 0.415 19955 9665 1 13 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.962 -0.007 19955 9666 1 13 . 1 1 832 832 GLU H H 832 8.696 8.696 8.218 0.478 19955 9667 1 13 . 1 1 833 833 GLY N N 833 115.171 115.171 110.662 4.509 19955 9668 1 13 . 1 1 833 833 GLY C C 833 168.962 168.962 172.108 -3.146 19955 9669 1 13 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.470 1.153 19955 9670 1 13 . 1 1 833 833 GLY H H 833 9.063 9.063 8.106 0.957 19955 9671 1 13 . 1 1 834 834 GLU N N 834 117.849 117.849 121.048 -3.199 19955 9672 1 13 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.546 0.143 19955 9673 1 13 . 1 1 834 834 GLU C C 834 175.077 175.077 175.340 -0.263 19955 9674 1 13 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.522 -0.556 19955 9675 1 13 . 1 1 834 834 GLU CB C 834 35.044 35.044 32.900 2.144 19955 9676 1 13 . 1 1 834 834 GLU H H 834 8.708 8.708 8.605 0.103 19955 9677 1 13 . 1 1 835 835 HIS N N 835 120.973 120.973 124.774 -3.801 19955 9678 1 13 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.185 -0.351 19955 9679 1 13 . 1 1 835 835 HIS C C 835 174.509 174.509 174.905 -0.396 19955 9680 1 13 . 1 1 835 835 HIS CA C 835 56.249 56.249 54.729 1.520 19955 9681 1 13 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.767 0.444 19955 9682 1 13 . 1 1 835 835 HIS H H 835 8.799 8.799 9.486 -0.687 19955 9683 1 13 . 1 1 836 836 HIS N N 836 125.728 125.728 123.598 2.130 19955 9684 1 13 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.043 0.123 19955 9685 1 13 . 1 1 836 836 HIS C C 836 175.012 175.012 175.411 -0.399 19955 9686 1 13 . 1 1 836 836 HIS CA C 836 55.689 55.689 56.255 -0.566 19955 9687 1 13 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.392 -0.398 19955 9688 1 13 . 1 1 836 836 HIS H H 836 9.163 9.163 9.584 -0.421 19955 9689 1 13 . 1 1 837 837 GLY N N 837 104.909 104.909 103.774 1.135 19955 9690 1 13 . 1 1 837 837 GLY C C 837 173.235 173.235 173.932 -0.697 19955 9691 1 13 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.524 0.130 19955 9692 1 13 . 1 1 837 837 GLY H H 837 9.070 9.070 9.114 -0.044 19955 9693 1 13 . 1 1 838 838 ARG N N 838 122.925 122.925 119.779 3.146 19955 9694 1 13 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.735 -0.142 19955 9695 1 13 . 1 1 838 838 ARG C C 838 173.682 173.682 174.623 -0.941 19955 9696 1 13 . 1 1 838 838 ARG CA C 838 54.881 54.881 53.888 0.994 19955 9697 1 13 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.182 -1.124 19955 9698 1 13 . 1 1 838 838 ARG H H 838 7.814 7.814 8.064 -0.250 19955 9699 1 13 . 1 1 839 839 VAL N N 839 123.572 123.572 122.557 1.015 19955 9700 1 13 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.302 -0.168 19955 9701 1 13 . 1 1 839 839 VAL C C 839 177.296 177.296 175.370 1.926 19955 9702 1 13 . 1 1 839 839 VAL CA C 839 60.200 60.200 61.086 -0.885 19955 9703 1 13 . 1 1 839 839 VAL CB C 839 33.994 33.994 34.511 -0.517 19955 9704 1 13 . 1 1 839 839 VAL H H 839 8.360 8.360 8.671 -0.311 19955 9705 1 13 . 1 1 840 840 GLY N N 840 114.006 114.006 113.874 0.132 19955 9706 1 13 . 1 1 840 840 GLY C C 840 171.246 171.246 171.463 -0.217 19955 9707 1 13 . 1 1 840 840 GLY CA C 840 45.896 45.896 44.092 1.804 19955 9708 1 13 . 1 1 840 840 GLY H H 840 8.951 8.951 8.296 0.655 19955 9709 1 13 . 1 1 841 841 ILE N N 841 112.496 112.496 115.185 -2.689 19955 9710 1 13 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.689 1.192 19955 9711 1 13 . 1 1 841 841 ILE C C 841 176.120 176.120 173.646 2.474 19955 9712 1 13 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.492 0.875 19955 9713 1 13 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.114 -0.197 19955 9714 1 13 . 1 1 841 841 ILE H H 841 8.434 8.434 7.613 0.821 19955 9715 1 13 . 1 1 842 842 PHE N N 842 116.289 116.289 119.790 -3.501 19955 9716 1 13 . 1 1 842 842 PHE HA H 842 4.971 4.971 5.407 -0.436 19955 9717 1 13 . 1 1 842 842 PHE C C 842 171.777 171.777 172.876 -1.099 19955 9718 1 13 . 1 1 842 842 PHE CA C 842 54.265 54.265 54.890 -0.625 19955 9719 1 13 . 1 1 842 842 PHE CB C 842 37.515 37.515 40.636 -3.121 19955 9720 1 13 . 1 1 842 842 PHE H H 842 8.408 8.408 8.685 -0.277 19955 9721 1 13 . 1 1 843 843 PRO HA H 843 3.934 3.934 3.956 -0.022 19955 9722 1 13 . 1 1 843 843 PRO C C 843 178.228 178.228 177.685 0.543 19955 9723 1 13 . 1 1 843 843 PRO CA C 843 61.613 61.613 61.867 -0.254 19955 9724 1 13 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.909 -0.514 19955 9725 1 13 . 1 1 844 844 ARG N N 844 122.291 122.291 124.039 -1.748 19955 9726 1 13 . 1 1 844 844 ARG HA H 844 3.944 3.944 3.921 0.023 19955 9727 1 13 . 1 1 844 844 ARG C C 844 178.171 178.171 176.370 1.801 19955 9728 1 13 . 1 1 844 844 ARG CA C 844 58.618 58.618 58.423 0.195 19955 9729 1 13 . 1 1 844 844 ARG CB C 844 30.297 30.297 30.089 0.208 19955 9730 1 13 . 1 1 844 844 ARG H H 844 7.906 7.906 8.953 -1.047 19955 9731 1 13 . 1 1 845 845 THR N N 845 105.068 105.068 110.961 -5.893 19955 9732 1 13 . 1 1 845 845 THR HA H 845 4.159 4.159 4.307 -0.148 19955 9733 1 13 . 1 1 845 845 THR C C 845 175.363 175.363 174.802 0.561 19955 9734 1 13 . 1 1 845 845 THR CA C 845 63.035 63.035 64.179 -1.144 19955 9735 1 13 . 1 1 845 845 THR CB C 845 69.022 69.022 68.665 0.357 19955 9736 1 13 . 1 1 845 845 THR H H 845 7.907 7.907 7.729 0.178 19955 9737 1 13 . 1 1 846 846 TYR N N 846 118.977 118.977 120.761 -1.784 19955 9738 1 13 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.641 -0.106 19955 9739 1 13 . 1 1 846 846 TYR C C 846 174.917 174.917 174.437 0.480 19955 9740 1 13 . 1 1 846 846 TYR CA C 846 58.751 58.751 59.328 -0.577 19955 9741 1 13 . 1 1 846 846 TYR CB C 846 38.055 38.055 40.136 -2.081 19955 9742 1 13 . 1 1 846 846 TYR H H 846 7.611 7.611 8.198 -0.587 19955 9743 1 13 . 1 1 847 847 ILE N N 847 113.230 113.230 112.401 0.829 19955 9744 1 13 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.071 0.028 19955 9745 1 13 . 1 1 847 847 ILE C C 847 174.141 174.141 173.696 0.445 19955 9746 1 13 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.369 -0.915 19955 9747 1 13 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.224 -0.032 19955 9748 1 13 . 1 1 847 847 ILE H H 847 7.390 7.390 7.168 0.222 19955 9749 1 13 . 1 1 848 848 GLU N N 848 121.909 121.909 119.665 2.244 19955 9750 1 13 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.542 0.006 19955 9751 1 13 . 1 1 848 848 GLU C C 848 175.193 175.193 174.340 0.853 19955 9752 1 13 . 1 1 848 848 GLU CA C 848 53.664 53.664 53.875 -0.211 19955 9753 1 13 . 1 1 848 848 GLU CB C 848 32.624 32.624 33.965 -1.341 19955 9754 1 13 . 1 1 848 848 GLU H H 848 8.786 8.786 8.521 0.265 19955 9755 1 13 . 1 1 849 849 LEU N N 849 126.431 126.431 126.344 0.087 19955 9756 1 13 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.396 -0.305 19955 9757 1 13 . 1 1 849 849 LEU C C 849 177.019 177.019 176.389 0.630 19955 9758 1 13 . 1 1 849 849 LEU CA C 849 55.667 55.667 54.113 1.554 19955 9759 1 13 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.484 -0.942 19955 9760 1 13 . 1 1 849 849 LEU H H 849 8.730 8.730 8.434 0.296 19955 9761 1 13 . 1 1 850 850 LEU N N 850 123.942 123.942 126.169 -2.227 19955 9762 1 13 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.021 0.541 19955 9763 1 13 . 1 1 850 850 LEU C C 850 174.453 174.453 174.480 -0.027 19955 9764 1 13 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.280 -1.475 19955 9765 1 13 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.468 -0.505 19955 9766 1 13 . 1 1 850 850 LEU H H 850 7.846 7.846 7.984 -0.138 19955 9767 1 13 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.374 -0.045 19955 9768 1 13 . 1 1 852 852 PRO C C 852 176.580 176.580 175.671 0.909 19955 9769 1 13 . 1 1 852 852 PRO CA C 852 62.903 62.903 62.889 0.014 19955 9770 1 13 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.609 -0.845 19955 9771 1 13 . 1 1 853 853 ALA N N 853 124.102 124.102 125.490 -1.388 19955 9772 1 13 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.628 -0.388 19955 9773 1 13 . 1 1 853 853 ALA C C 853 177.767 177.767 176.826 0.941 19955 9774 1 13 . 1 1 853 853 ALA CA C 853 52.258 52.258 51.216 1.042 19955 9775 1 13 . 1 1 853 853 ALA CB C 853 19.516 19.516 20.765 -1.249 19955 9776 1 13 . 1 1 853 853 ALA H H 853 8.354 8.354 8.204 0.150 19955 9777 1 13 . 1 1 854 854 GLU N N 854 120.540 120.540 122.027 -1.487 19955 9778 1 13 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.436 -0.233 19955 9779 1 13 . 1 1 854 854 GLU C C 854 176.402 176.402 177.008 -0.606 19955 9780 1 13 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.059 0.321 19955 9781 1 13 . 1 1 854 854 GLU CB C 854 30.432 30.432 30.557 -0.125 19955 9782 1 13 . 1 1 854 854 GLU H H 854 8.348 8.348 8.655 -0.307 19955 9783 1 13 . 1 1 855 855 LYS N N 855 122.717 122.717 124.737 -2.020 19955 9784 1 13 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.457 -0.242 19955 9785 1 13 . 1 1 855 855 LYS C C 855 176.078 176.078 176.915 -0.837 19955 9786 1 13 . 1 1 855 855 LYS CA C 855 56.018 56.018 56.883 -0.865 19955 9787 1 13 . 1 1 855 855 LYS CB C 855 33.187 33.187 32.667 0.520 19955 9788 1 13 . 1 1 855 855 LYS H H 855 8.305 8.305 8.738 -0.433 19955 9789 1 13 . 1 1 856 856 ALA N N 856 125.584 125.584 122.077 3.507 19955 9790 1 13 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.370 -0.129 19955 9791 1 13 . 1 1 856 856 ALA C C 856 177.276 177.276 177.391 -0.115 19955 9792 1 13 . 1 1 856 856 ALA CA C 856 52.046 52.046 52.280 -0.234 19955 9793 1 13 . 1 1 856 856 ALA CB C 856 19.294 19.294 18.790 0.504 19955 9794 1 13 . 1 1 856 856 ALA H H 856 8.219 8.219 7.764 0.455 19955 9795 1 13 . 1 1 857 857 GLN N N 857 121.223 121.223 119.976 1.247 19955 9796 1 13 . 1 1 857 857 GLN C C 857 173.964 173.964 174.541 -0.577 19955 9797 1 13 . 1 1 857 857 GLN CA C 857 53.490 53.490 54.138 -0.648 19955 9798 1 13 . 1 1 857 857 GLN CB C 857 29.040 29.040 28.252 0.788 19955 9799 1 13 . 1 1 857 857 GLN H H 857 8.333 8.333 7.908 0.425 19955 9800 1 13 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.326 0.012 19955 9801 1 13 . 1 1 858 858 PRO C C 858 176.696 176.696 176.633 0.063 19955 9802 1 13 . 1 1 858 858 PRO CA C 858 62.910 62.910 63.430 -0.520 19955 9803 1 13 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.167 -0.092 19955 9804 1 13 . 1 1 859 859 LYS N N 859 121.891 121.891 124.965 -3.074 19955 9805 1 13 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.168 0.022 19955 9806 1 13 . 1 1 859 859 LYS C C 859 176.382 176.382 176.959 -0.577 19955 9807 1 13 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.510 -0.380 19955 9808 1 13 . 1 1 859 859 LYS CB C 859 33.070 33.070 33.163 -0.094 19955 9809 1 13 . 1 1 859 859 LYS H H 859 8.355 8.355 8.419 -0.064 19955 9810 1 13 . 1 1 860 860 LYS N N 860 123.002 123.002 123.835 -0.833 19955 9811 1 13 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.182 0.063 19955 9812 1 13 . 1 1 860 860 LYS C C 860 176.131 176.131 177.071 -0.940 19955 9813 1 13 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.428 -0.576 19955 9814 1 13 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.912 0.236 19955 9815 1 13 . 1 1 860 860 LYS H H 860 8.267 8.267 8.311 -0.044 19955 9816 1 13 . 1 1 861 861 LEU N N 861 124.576 124.576 122.245 2.331 19955 9817 1 13 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.245 0.111 19955 9818 1 13 . 1 1 861 861 LEU C C 861 177.069 177.069 176.894 0.175 19955 9819 1 13 . 1 1 861 861 LEU CA C 861 54.795 54.795 56.604 -1.809 19955 9820 1 13 . 1 1 861 861 LEU CB C 861 42.350 42.350 42.135 0.215 19955 9821 1 13 . 1 1 861 861 LEU H H 861 8.316 8.316 8.315 0.001 19955 9822 1 13 . 1 1 862 862 THR N N 862 117.878 117.878 118.844 -0.966 19955 9823 1 13 . 1 1 862 862 THR HA H 862 4.729 4.729 4.635 0.094 19955 9824 1 13 . 1 1 862 862 THR C C 862 172.639 172.639 172.704 -0.065 19955 9825 1 13 . 1 1 862 862 THR CA C 862 59.644 59.644 59.682 -0.038 19955 9826 1 13 . 1 1 862 862 THR CB C 862 69.476 69.476 68.810 0.666 19955 9827 1 13 . 1 1 862 862 THR H H 862 8.162 8.162 7.879 0.283 19955 9828 1 13 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.627 -0.259 19955 9829 1 13 . 1 1 863 863 PRO C C 863 176.753 176.753 175.572 1.181 19955 9830 1 13 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.889 0.303 19955 9831 1 13 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.358 -0.300 19955 9832 1 13 . 1 1 864 864 VAL N N 864 120.359 120.359 119.744 0.615 19955 9833 1 13 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.533 -0.548 19955 9834 1 13 . 1 1 864 864 VAL C C 864 175.964 175.964 174.718 1.246 19955 9835 1 13 . 1 1 864 864 VAL CA C 864 62.342 62.342 60.567 1.775 19955 9836 1 13 . 1 1 864 864 VAL CB C 864 32.521 32.521 33.727 -1.206 19955 9837 1 13 . 1 1 864 864 VAL H H 864 8.102 8.102 8.340 -0.238 19955 9838 1 13 . 1 1 865 865 GLN N N 865 124.642 124.642 122.575 2.067 19955 9839 1 13 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.542 -0.256 19955 9840 1 13 . 1 1 865 865 GLN C C 865 175.443 175.443 174.513 0.930 19955 9841 1 13 . 1 1 865 865 GLN CA C 865 55.595 55.595 55.193 0.402 19955 9842 1 13 . 1 1 865 865 GLN CB C 865 29.739 29.739 30.656 -0.917 19955 9843 1 13 . 1 1 865 865 GLN H H 865 8.333 8.333 8.291 0.042 19955 9844 1 13 . 1 1 866 866 VAL N N 866 123.436 123.436 121.389 2.047 19955 9845 1 13 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.331 -0.362 19955 9846 1 13 . 1 1 866 866 VAL C C 866 175.685 175.685 175.039 0.646 19955 9847 1 13 . 1 1 866 866 VAL CA C 866 62.398 62.398 62.091 0.307 19955 9848 1 13 . 1 1 866 866 VAL CB C 866 32.832 32.832 31.918 0.914 19955 9849 1 13 . 1 1 866 866 VAL H H 866 8.189 8.189 8.402 -0.213 19955 9850 1 13 . 1 1 867 867 LEU N N 867 127.515 127.515 129.156 -1.641 19955 9851 1 13 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.566 -0.304 19955 9852 1 13 . 1 1 867 867 LEU C C 867 177.037 177.037 175.295 1.742 19955 9853 1 13 . 1 1 867 867 LEU CA C 867 55.688 55.688 54.820 0.868 19955 9854 1 13 . 1 1 867 867 LEU CB C 867 42.552 42.552 44.349 -1.797 19955 9855 1 13 . 1 1 867 867 LEU H H 867 8.679 8.679 8.390 0.289 19955 9856 1 13 . 1 1 868 868 GLU N N 868 120.794 120.794 124.983 -4.189 19955 9857 1 13 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.728 -0.509 19955 9858 1 13 . 1 1 868 868 GLU C C 868 175.353 175.353 174.682 0.671 19955 9859 1 13 . 1 1 868 868 GLU CA C 868 55.753 55.753 55.722 0.031 19955 9860 1 13 . 1 1 868 868 GLU CB C 868 31.419 31.419 31.356 0.063 19955 9861 1 13 . 1 1 868 868 GLU H H 868 8.272 8.272 8.487 -0.215 19955 9862 1 13 . 1 1 869 869 TYR N N 869 121.165 121.165 123.770 -2.605 19955 9863 1 13 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.694 0.006 19955 9864 1 13 . 1 1 869 869 TYR C C 869 176.824 176.824 175.318 1.506 19955 9865 1 13 . 1 1 869 869 TYR CA C 869 56.809 56.809 57.644 -0.835 19955 9866 1 13 . 1 1 869 869 TYR CB C 869 38.650 38.650 39.614 -0.964 19955 9867 1 13 . 1 1 869 869 TYR H H 869 8.003 8.003 8.741 -0.738 19955 9868 1 13 . 1 1 870 870 GLY N N 870 104.958 104.958 108.774 -3.816 19955 9869 1 13 . 1 1 870 870 GLY C C 870 173.846 173.846 172.560 1.286 19955 9870 1 13 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.772 -0.553 19955 9871 1 13 . 1 1 870 870 GLY H H 870 8.590 8.590 7.823 0.767 19955 9872 1 13 . 1 1 871 871 GLU N N 871 122.341 122.341 119.189 3.152 19955 9873 1 13 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.326 -0.104 19955 9874 1 13 . 1 1 871 871 GLU C C 871 173.827 173.827 174.253 -0.426 19955 9875 1 13 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.961 0.898 19955 9876 1 13 . 1 1 871 871 GLU CB C 871 34.934 34.934 33.751 1.183 19955 9877 1 13 . 1 1 871 871 GLU H H 871 9.246 9.246 8.211 1.035 19955 9878 1 13 . 1 1 872 872 ALA N N 872 126.709 126.709 125.508 1.201 19955 9879 1 13 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.213 -0.109 19955 9880 1 13 . 1 1 872 872 ALA C C 872 174.022 174.022 174.916 -0.894 19955 9881 1 13 . 1 1 872 872 ALA CA C 872 50.135 50.135 50.227 -0.092 19955 9882 1 13 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.993 1.505 19955 9883 1 13 . 1 1 872 872 ALA H H 872 9.266 9.266 9.106 0.160 19955 9884 1 13 . 1 1 873 873 ILE N N 873 118.554 118.554 120.579 -2.025 19955 9885 1 13 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.826 -0.212 19955 9886 1 13 . 1 1 873 873 ILE C C 873 176.132 176.132 175.682 0.450 19955 9887 1 13 . 1 1 873 873 ILE CA C 873 58.788 58.788 57.600 1.188 19955 9888 1 13 . 1 1 873 873 ILE CB C 873 40.630 40.630 39.887 0.743 19955 9889 1 13 . 1 1 873 873 ILE H H 873 8.522 8.522 8.751 -0.229 19955 9890 1 13 . 1 1 874 874 ALA N N 874 129.739 129.739 132.084 -2.345 19955 9891 1 13 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.189 -0.152 19955 9892 1 13 . 1 1 874 874 ALA C C 874 178.259 178.259 177.657 0.602 19955 9893 1 13 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.655 0.682 19955 9894 1 13 . 1 1 874 874 ALA CB C 874 21.278 21.278 18.832 2.446 19955 9895 1 13 . 1 1 874 874 ALA H H 874 8.608 8.608 8.441 0.167 19955 9896 1 13 . 1 1 875 875 LYS N N 875 127.308 127.308 125.680 1.628 19955 9897 1 13 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.850 0.174 19955 9898 1 13 . 1 1 875 875 LYS C C 875 174.098 174.098 176.331 -2.233 19955 9899 1 13 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.517 -1.418 19955 9900 1 13 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.611 1.373 19955 9901 1 13 . 1 1 875 875 LYS H H 875 9.298 9.298 8.654 0.644 19955 9902 1 13 . 1 1 876 876 PHE N N 876 113.423 113.423 116.735 -3.312 19955 9903 1 13 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.614 0.297 19955 9904 1 13 . 1 1 876 876 PHE C C 876 174.050 174.050 175.282 -1.232 19955 9905 1 13 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.667 -2.822 19955 9906 1 13 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.313 2.429 19955 9907 1 13 . 1 1 876 876 PHE H H 876 7.328 7.328 7.527 -0.199 19955 9908 1 13 . 1 1 877 877 ASN N N 877 116.437 116.437 120.778 -4.341 19955 9909 1 13 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.682 0.107 19955 9910 1 13 . 1 1 877 877 ASN C C 877 174.454 174.454 174.308 0.146 19955 9911 1 13 . 1 1 877 877 ASN CA C 877 53.535 53.535 54.045 -0.510 19955 9912 1 13 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.889 -0.682 19955 9913 1 13 . 1 1 877 877 ASN H H 877 8.666 8.666 8.662 0.004 19955 9914 1 13 . 1 1 878 878 PHE N N 878 123.179 123.179 127.089 -3.910 19955 9915 1 13 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.614 0.051 19955 9916 1 13 . 1 1 878 878 PHE C C 878 173.027 173.027 172.946 0.081 19955 9917 1 13 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.562 -0.458 19955 9918 1 13 . 1 1 878 878 PHE CB C 878 42.086 42.086 41.978 0.108 19955 9919 1 13 . 1 1 878 878 PHE H H 878 8.433 8.433 8.943 -0.510 19955 9920 1 13 . 1 1 879 879 ASN N N 879 127.113 127.113 125.166 1.947 19955 9921 1 13 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.673 -0.111 19955 9922 1 13 . 1 1 879 879 ASN C C 879 173.174 173.174 174.170 -0.996 19955 9923 1 13 . 1 1 879 879 ASN CA C 879 50.930 50.930 50.977 -0.047 19955 9924 1 13 . 1 1 879 879 ASN CB C 879 39.387 39.387 40.037 -0.650 19955 9925 1 13 . 1 1 879 879 ASN H H 879 8.000 8.000 7.682 0.318 19955 9926 1 13 . 1 1 880 880 GLY N N 880 110.949 110.949 107.752 3.197 19955 9927 1 13 . 1 1 880 880 GLY C C 880 173.383 173.383 174.418 -1.035 19955 9928 1 13 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.976 0.682 19955 9929 1 13 . 1 1 880 880 GLY H H 880 7.997 7.997 8.202 -0.205 19955 9930 1 13 . 1 1 881 881 ASP N N 881 122.408 122.408 121.406 1.002 19955 9931 1 13 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.865 -0.232 19955 9932 1 13 . 1 1 881 881 ASP C C 881 176.286 176.286 176.078 0.208 19955 9933 1 13 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.588 0.608 19955 9934 1 13 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.556 1.584 19955 9935 1 13 . 1 1 881 881 ASP H H 881 8.796 8.796 8.660 0.136 19955 9936 1 13 . 1 1 882 882 THR N N 882 108.354 108.354 111.069 -2.715 19955 9937 1 13 . 1 1 882 882 THR HA H 882 4.583 4.583 4.617 -0.034 19955 9938 1 13 . 1 1 882 882 THR C C 882 175.948 175.948 173.948 2.000 19955 9939 1 13 . 1 1 882 882 THR CA C 882 60.352 60.352 59.980 0.372 19955 9940 1 13 . 1 1 882 882 THR CB C 882 71.649 71.649 71.770 -0.121 19955 9941 1 13 . 1 1 882 882 THR H H 882 7.541 7.541 7.292 0.249 19955 9942 1 13 . 1 1 883 883 GLN N N 883 118.622 118.622 120.392 -1.770 19955 9943 1 13 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.184 -0.032 19955 9944 1 13 . 1 1 883 883 GLN C C 883 176.478 176.478 177.636 -1.158 19955 9945 1 13 . 1 1 883 883 GLN CA C 883 58.196 58.196 59.154 -0.958 19955 9946 1 13 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.768 -0.099 19955 9947 1 13 . 1 1 883 883 GLN H H 883 8.710 8.710 8.702 0.008 19955 9948 1 13 . 1 1 884 884 VAL N N 884 111.473 111.473 111.756 -0.283 19955 9949 1 13 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.958 0.249 19955 9950 1 13 . 1 1 884 884 VAL C C 884 176.430 176.430 176.000 0.430 19955 9951 1 13 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.255 -0.962 19955 9952 1 13 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.089 0.835 19955 9953 1 13 . 1 1 884 884 VAL H H 884 7.260 7.260 7.976 -0.716 19955 9954 1 13 . 1 1 885 885 GLU N N 885 121.794 121.794 120.367 1.427 19955 9955 1 13 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.759 0.149 19955 9956 1 13 . 1 1 885 885 GLU C C 885 175.369 175.369 175.767 -0.398 19955 9957 1 13 . 1 1 885 885 GLU CA C 885 55.310 55.310 54.963 0.347 19955 9958 1 13 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.091 1.698 19955 9959 1 13 . 1 1 885 885 GLU H H 885 7.455 7.455 7.585 -0.130 19955 9960 1 13 . 1 1 886 886 MET N N 886 125.473 125.473 125.604 -0.131 19955 9961 1 13 . 1 1 886 886 MET HA H 886 4.534 4.534 4.723 -0.189 19955 9962 1 13 . 1 1 886 886 MET C C 886 172.841 172.841 175.111 -2.270 19955 9963 1 13 . 1 1 886 886 MET CA C 886 54.129 54.129 55.293 -1.164 19955 9964 1 13 . 1 1 886 886 MET CB C 886 35.157 35.157 33.803 1.354 19955 9965 1 13 . 1 1 886 886 MET H H 886 8.996 8.996 8.870 0.126 19955 9966 1 13 . 1 1 887 887 SER N N 887 118.425 118.425 120.593 -2.168 19955 9967 1 13 . 1 1 887 887 SER HA H 887 4.402 4.402 4.759 -0.357 19955 9968 1 13 . 1 1 887 887 SER C C 887 174.667 174.667 173.461 1.206 19955 9969 1 13 . 1 1 887 887 SER CA C 887 58.612 58.612 58.091 0.521 19955 9970 1 13 . 1 1 887 887 SER CB C 887 64.186 64.186 63.655 0.531 19955 9971 1 13 . 1 1 887 887 SER H H 887 7.888 7.888 8.390 -0.502 19955 9972 1 13 . 1 1 888 888 PHE N N 888 116.363 116.363 124.076 -7.713 19955 9973 1 13 . 1 1 888 888 PHE HA H 888 4.514 4.514 5.041 -0.527 19955 9974 1 13 . 1 1 888 888 PHE C C 888 174.756 174.756 173.528 1.228 19955 9975 1 13 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.072 0.464 19955 9976 1 13 . 1 1 888 888 PHE CB C 888 39.802 39.802 41.584 -1.782 19955 9977 1 13 . 1 1 888 888 PHE H H 888 8.780 8.780 8.209 0.571 19955 9978 1 13 . 1 1 889 889 ARG N N 889 121.944 121.944 120.375 1.569 19955 9979 1 13 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.825 0.147 19955 9980 1 13 . 1 1 889 889 ARG C C 889 175.318 175.318 176.461 -1.143 19955 9981 1 13 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.157 -0.860 19955 9982 1 13 . 1 1 889 889 ARG CB C 889 32.886 32.886 32.512 0.374 19955 9983 1 13 . 1 1 889 889 ARG H H 889 10.187 10.187 8.741 1.446 19955 9984 1 13 . 1 1 890 890 LYS N N 890 119.991 119.991 121.685 -1.694 19955 9985 1 13 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.896 -0.648 19955 9986 1 13 . 1 1 890 890 LYS C C 890 176.504 176.504 177.849 -1.345 19955 9987 1 13 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.416 -0.020 19955 9988 1 13 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.099 0.730 19955 9989 1 13 . 1 1 890 890 LYS H H 890 8.360 8.360 8.455 -0.095 19955 9990 1 13 . 1 1 891 891 GLY N N 891 113.950 113.950 115.286 -1.336 19955 9991 1 13 . 1 1 891 891 GLY C C 891 174.298 174.298 174.233 0.065 19955 9992 1 13 . 1 1 891 891 GLY CA C 891 44.668 44.668 44.875 -0.207 19955 9993 1 13 . 1 1 891 891 GLY H H 891 8.673 8.673 8.958 -0.285 19955 9994 1 13 . 1 1 892 892 GLU N N 892 119.511 119.511 121.861 -2.350 19955 9995 1 13 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.300 -0.184 19955 9996 1 13 . 1 1 892 892 GLU C C 892 174.618 174.618 176.249 -1.631 19955 9997 1 13 . 1 1 892 892 GLU CA C 892 59.515 59.515 56.252 3.263 19955 9998 1 13 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.433 0.148 19955 9999 1 13 . 1 1 892 892 GLU H H 892 7.856 7.856 7.897 -0.041 19955 10000 1 13 . 1 1 893 893 ARG N N 893 122.979 122.979 123.207 -0.228 19955 10001 1 13 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.739 -0.142 19955 10002 1 13 . 1 1 893 893 ARG C C 893 174.836 174.836 175.734 -0.898 19955 10003 1 13 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.247 -0.719 19955 10004 1 13 . 1 1 893 893 ARG CB C 893 31.040 31.040 30.899 0.141 19955 10005 1 13 . 1 1 893 893 ARG H H 893 8.120 8.120 8.597 -0.477 19955 10006 1 13 . 1 1 894 894 ILE N N 894 122.659 122.659 125.158 -2.499 19955 10007 1 13 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.419 -0.356 19955 10008 1 13 . 1 1 894 894 ILE C C 894 175.789 175.789 175.335 0.454 19955 10009 1 13 . 1 1 894 894 ILE CA C 894 60.266 60.266 58.144 2.122 19955 10010 1 13 . 1 1 894 894 ILE CB C 894 43.427 43.427 39.707 3.720 19955 10011 1 13 . 1 1 894 894 ILE H H 894 8.586 8.586 9.067 -0.481 19955 10012 1 13 . 1 1 895 895 THR N N 895 124.709 124.709 122.386 2.323 19955 10013 1 13 . 1 1 895 895 THR HA H 895 4.441 4.441 4.641 -0.200 19955 10014 1 13 . 1 1 895 895 THR C C 895 174.124 174.124 174.228 -0.104 19955 10015 1 13 . 1 1 895 895 THR CA C 895 62.837 62.837 61.904 0.933 19955 10016 1 13 . 1 1 895 895 THR CB C 895 69.246 69.246 69.663 -0.417 19955 10017 1 13 . 1 1 895 895 THR H H 895 9.078 9.078 8.855 0.223 19955 10018 1 13 . 1 1 896 896 LEU N N 896 122.648 122.648 128.333 -5.685 19955 10019 1 13 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.309 0.080 19955 10020 1 13 . 1 1 896 896 LEU C C 896 174.836 174.836 176.013 -1.177 19955 10021 1 13 . 1 1 896 896 LEU H H 896 8.583 8.583 8.755 -0.172 19955 10022 1 13 . 1 1 897 897 LEU N N 897 124.502 124.502 124.970 -0.468 19955 10023 1 13 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.450 -0.118 19955 10024 1 13 . 1 1 897 897 LEU C C 897 176.645 176.645 177.571 -0.926 19955 10025 1 13 . 1 1 897 897 LEU CA C 897 56.226 56.226 56.082 0.144 19955 10026 1 13 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.209 -0.878 19955 10027 1 13 . 1 1 897 897 LEU H H 897 8.984 8.984 8.488 0.496 19955 10028 1 13 . 1 1 898 898 ARG N N 898 108.422 108.422 117.114 -8.692 19955 10029 1 13 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.618 -0.176 19955 10030 1 13 . 1 1 898 898 ARG C C 898 173.645 173.645 174.029 -0.384 19955 10031 1 13 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.144 0.097 19955 10032 1 13 . 1 1 898 898 ARG CB C 898 31.609 31.609 33.836 -2.227 19955 10033 1 13 . 1 1 898 898 ARG H H 898 7.413 7.413 7.611 -0.198 19955 10034 1 13 . 1 1 899 899 GLN N N 899 124.503 124.503 123.456 1.047 19955 10035 1 13 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.478 -0.286 19955 10036 1 13 . 1 1 899 899 GLN C C 899 175.142 175.142 175.552 -0.410 19955 10037 1 13 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.274 1.022 19955 10038 1 13 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.342 -0.853 19955 10039 1 13 . 1 1 899 899 GLN H H 899 9.301 9.301 8.732 0.569 19955 10040 1 13 . 1 1 900 900 VAL N N 900 129.109 129.109 126.927 2.182 19955 10041 1 13 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.791 -0.125 19955 10042 1 13 . 1 1 900 900 VAL C C 900 175.298 175.298 176.453 -1.155 19955 10043 1 13 . 1 1 900 900 VAL CA C 900 64.773 64.773 64.621 0.152 19955 10044 1 13 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.125 0.696 19955 10045 1 13 . 1 1 900 900 VAL H H 900 8.475 8.475 8.521 -0.046 19955 10046 1 13 . 1 1 901 901 ASP N N 901 118.573 118.573 116.978 1.595 19955 10047 1 13 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.889 -0.493 19955 10048 1 13 . 1 1 901 901 ASP C C 901 175.386 175.386 175.955 -0.569 19955 10049 1 13 . 1 1 901 901 ASP CA C 901 53.300 53.300 54.331 -1.031 19955 10050 1 13 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.163 -2.000 19955 10051 1 13 . 1 1 901 901 ASP H H 901 8.038 8.038 7.740 0.298 19955 10052 1 13 . 1 1 902 902 GLU N N 902 114.492 114.492 118.524 -4.032 19955 10053 1 13 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.529 -0.697 19955 10054 1 13 . 1 1 902 902 GLU C C 902 175.973 175.973 176.059 -0.086 19955 10055 1 13 . 1 1 902 902 GLU CA C 902 59.095 59.095 57.326 1.769 19955 10056 1 13 . 1 1 902 902 GLU CB C 902 29.507 29.507 31.341 -1.834 19955 10057 1 13 . 1 1 902 902 GLU H H 902 8.784 8.784 8.428 0.356 19955 10058 1 13 . 1 1 903 903 ASN N N 903 113.835 113.835 116.598 -2.763 19955 10059 1 13 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.778 0.086 19955 10060 1 13 . 1 1 903 903 ASN C C 903 175.238 175.238 173.438 1.800 19955 10061 1 13 . 1 1 903 903 ASN CA C 903 53.800 53.800 53.423 0.377 19955 10062 1 13 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.369 2.841 19955 10063 1 13 . 1 1 903 903 ASN H H 903 8.763 8.763 8.293 0.470 19955 10064 1 13 . 1 1 904 904 TRP N N 904 121.517 121.517 118.766 2.751 19955 10065 1 13 . 1 1 904 904 TRP HA H 904 4.950 4.950 4.907 0.043 19955 10066 1 13 . 1 1 904 904 TRP C C 904 175.223 175.223 174.794 0.429 19955 10067 1 13 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.596 0.583 19955 10068 1 13 . 1 1 904 904 TRP CB C 904 31.286 31.286 32.567 -1.281 19955 10069 1 13 . 1 1 904 904 TRP H H 904 8.141 8.141 7.620 0.521 19955 10070 1 13 . 1 1 905 905 TYR N N 905 121.365 121.365 116.570 4.795 19955 10071 1 13 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.176 -0.260 19955 10072 1 13 . 1 1 905 905 TYR C C 905 173.702 173.702 172.674 1.028 19955 10073 1 13 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.328 0.132 19955 10074 1 13 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.310 2.091 19955 10075 1 13 . 1 1 905 905 TYR H H 905 8.550 8.550 8.454 0.096 19955 10076 1 13 . 1 1 906 906 GLU N N 906 117.356 117.356 121.189 -3.833 19955 10077 1 13 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.593 0.292 19955 10078 1 13 . 1 1 906 906 GLU C C 906 176.159 176.159 175.202 0.957 19955 10079 1 13 . 1 1 906 906 GLU CA C 906 54.795 54.795 53.940 0.855 19955 10080 1 13 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.357 -0.767 19955 10081 1 13 . 1 1 906 906 GLU H H 906 8.707 8.707 8.909 -0.202 19955 10082 1 13 . 1 1 907 907 GLY N N 907 114.506 114.506 111.616 2.890 19955 10083 1 13 . 1 1 907 907 GLY C C 907 169.408 169.408 171.780 -2.372 19955 10084 1 13 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.021 0.713 19955 10085 1 13 . 1 1 907 907 GLY H H 907 9.334 9.334 8.399 0.935 19955 10086 1 13 . 1 1 908 908 ARG N N 908 114.660 114.660 116.548 -1.888 19955 10087 1 13 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.314 0.063 19955 10088 1 13 . 1 1 908 908 ARG C C 908 173.981 173.981 174.950 -0.969 19955 10089 1 13 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.310 -0.033 19955 10090 1 13 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.009 0.580 19955 10091 1 13 . 1 1 908 908 ARG H H 908 8.694 8.694 8.392 0.302 19955 10092 1 13 . 1 1 909 909 ILE N N 909 124.579 124.579 122.224 2.355 19955 10093 1 13 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.689 0.230 19955 10094 1 13 . 1 1 909 909 ILE C C 909 175.024 175.024 174.968 0.056 19955 10095 1 13 . 1 1 909 909 ILE CA C 909 56.699 56.699 58.661 -1.962 19955 10096 1 13 . 1 1 909 909 ILE CB C 909 35.387 35.387 37.184 -1.797 19955 10097 1 13 . 1 1 909 909 ILE H H 909 7.757 7.757 8.103 -0.346 19955 10098 1 13 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.269 0.360 19955 10099 1 13 . 1 1 910 910 PRO C C 910 176.353 176.353 177.477 -1.124 19955 10100 1 13 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.374 -11.576 19955 10101 1 13 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.774 -1.367 19955 10102 1 13 . 1 1 911 911 GLY N N 911 118.118 118.118 112.270 5.848 19955 10103 1 13 . 1 1 911 911 GLY C C 911 173.987 173.987 173.966 0.021 19955 10104 1 13 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.035 0.297 19955 10105 1 13 . 1 1 911 911 GLY H H 911 7.869 7.869 8.647 -0.778 19955 10106 1 13 . 1 1 912 912 THR N N 912 109.041 109.041 112.663 -3.622 19955 10107 1 13 . 1 1 912 912 THR HA H 912 4.469 4.469 4.030 0.439 19955 10108 1 13 . 1 1 912 912 THR C C 912 174.144 174.144 174.005 0.139 19955 10109 1 13 . 1 1 912 912 THR CA C 912 60.194 60.194 63.326 -3.132 19955 10110 1 13 . 1 1 912 912 THR CB C 912 72.812 72.812 67.272 5.540 19955 10111 1 13 . 1 1 912 912 THR H H 912 7.743 7.743 7.888 -0.145 19955 10112 1 13 . 1 1 913 913 SER N N 913 126.292 126.292 119.340 6.952 19955 10113 1 13 . 1 1 913 913 SER HA H 913 4.671 4.671 4.445 0.226 19955 10114 1 13 . 1 1 913 913 SER C C 913 174.781 174.781 173.608 1.173 19955 10115 1 13 . 1 1 913 913 SER CA C 913 57.411 57.411 59.035 -1.624 19955 10116 1 13 . 1 1 913 913 SER CB C 913 63.258 63.258 64.500 -1.242 19955 10117 1 13 . 1 1 913 913 SER H H 913 7.896 7.896 8.853 -0.957 19955 10118 1 13 . 1 1 914 914 ARG N N 914 124.284 124.284 120.795 3.489 19955 10119 1 13 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.577 -0.324 19955 10120 1 13 . 1 1 914 914 ARG C C 914 174.712 174.712 173.570 1.142 19955 10121 1 13 . 1 1 914 914 ARG CA C 914 56.960 56.960 56.397 0.563 19955 10122 1 13 . 1 1 914 914 ARG CB C 914 30.694 30.694 32.670 -1.976 19955 10123 1 13 . 1 1 914 914 ARG H H 914 8.631 8.631 7.715 0.916 19955 10124 1 13 . 1 1 915 915 GLN N N 915 124.297 124.297 123.490 0.807 19955 10125 1 13 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.400 -0.019 19955 10126 1 13 . 1 1 915 915 GLN C C 915 174.377 174.377 173.964 0.413 19955 10127 1 13 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.480 1.086 19955 10128 1 13 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.841 -1.835 19955 10129 1 13 . 1 1 915 915 GLN H H 915 8.054 8.054 8.666 -0.612 19955 10130 1 13 . 1 1 916 916 GLY N N 916 112.028 112.028 109.572 2.456 19955 10131 1 13 . 1 1 916 916 GLY C C 916 172.185 172.185 171.153 1.032 19955 10132 1 13 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.553 -0.306 19955 10133 1 13 . 1 1 916 916 GLY H H 916 8.818 8.818 8.595 0.223 19955 10134 1 13 . 1 1 917 917 ILE N N 917 113.634 113.634 115.421 -1.787 19955 10135 1 13 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.401 1.627 19955 10136 1 13 . 1 1 917 917 ILE C C 917 176.584 176.584 173.290 3.294 19955 10137 1 13 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.222 1.757 19955 10138 1 13 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.205 1.020 19955 10139 1 13 . 1 1 917 917 ILE H H 917 8.714 8.714 7.363 1.351 19955 10140 1 13 . 1 1 918 918 PHE N N 918 115.806 115.806 119.320 -3.514 19955 10141 1 13 . 1 1 918 918 PHE C C 918 170.959 170.959 172.807 -1.848 19955 10142 1 13 . 1 1 918 918 PHE CA C 918 55.619 55.619 54.915 0.704 19955 10143 1 13 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.954 -1.332 19955 10144 1 13 . 1 1 918 918 PHE H H 918 8.573 8.573 7.389 1.184 19955 10145 1 13 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.457 -0.357 19955 10146 1 13 . 1 1 919 919 PRO C C 919 178.655 178.655 177.673 0.982 19955 10147 1 13 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.965 -0.967 19955 10148 1 13 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.819 -0.609 19955 10149 1 13 . 1 1 920 920 ILE N N 920 123.677 123.677 123.872 -0.195 19955 10150 1 13 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.740 -0.050 19955 10151 1 13 . 1 1 920 920 ILE C C 920 176.798 176.798 177.906 -1.108 19955 10152 1 13 . 1 1 920 920 ILE CA C 920 63.373 63.373 65.035 -1.662 19955 10153 1 13 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.522 1.329 19955 10154 1 13 . 1 1 920 920 ILE H H 920 7.949 7.949 8.002 -0.053 19955 10155 1 13 . 1 1 921 921 THR N N 921 106.993 106.993 113.163 -6.170 19955 10156 1 13 . 1 1 921 921 THR HA H 921 4.294 4.294 4.023 0.271 19955 10157 1 13 . 1 1 921 921 THR C C 921 175.639 175.639 176.116 -0.477 19955 10158 1 13 . 1 1 921 921 THR CA C 921 62.983 62.983 65.978 -2.995 19955 10159 1 13 . 1 1 921 921 THR CB C 921 69.104 69.104 68.785 0.319 19955 10160 1 13 . 1 1 921 921 THR H H 921 7.500 7.500 8.357 -0.857 19955 10161 1 13 . 1 1 922 922 TYR N N 922 118.600 118.600 119.486 -0.886 19955 10162 1 13 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.922 -0.282 19955 10163 1 13 . 1 1 922 922 TYR C C 922 175.481 175.481 174.671 0.810 19955 10164 1 13 . 1 1 922 922 TYR CA C 922 59.448 59.448 58.279 1.169 19955 10165 1 13 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.830 -0.230 19955 10166 1 13 . 1 1 922 922 TYR H H 922 7.836 7.836 7.796 0.040 19955 10167 1 13 . 1 1 923 923 VAL N N 923 109.058 109.058 118.552 -9.494 19955 10168 1 13 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.663 0.296 19955 10169 1 13 . 1 1 923 923 VAL C C 923 172.905 172.905 174.780 -1.875 19955 10170 1 13 . 1 1 923 923 VAL CA C 923 58.490 58.490 59.757 -1.267 19955 10171 1 13 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.051 0.236 19955 10172 1 13 . 1 1 923 923 VAL H H 923 7.701 7.701 7.911 -0.210 19955 10173 1 13 . 1 1 924 924 ASP N N 924 120.115 120.115 124.735 -4.620 19955 10174 1 13 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.756 0.178 19955 10175 1 13 . 1 1 924 924 ASP C C 924 175.863 175.863 175.251 0.612 19955 10176 1 13 . 1 1 924 924 ASP CA C 924 52.934 52.934 51.742 1.192 19955 10177 1 13 . 1 1 924 924 ASP CB C 924 42.263 42.263 42.430 -0.167 19955 10178 1 13 . 1 1 924 924 ASP H H 924 8.658 8.658 8.962 -0.304 19955 10179 1 13 . 1 1 925 925 VAL N N 925 125.090 125.090 126.007 -0.917 19955 10180 1 13 . 1 1 925 925 VAL HA H 925 3.679 3.679 3.850 -0.171 19955 10181 1 13 . 1 1 925 925 VAL C C 925 175.620 175.620 175.578 0.042 19955 10182 1 13 . 1 1 925 925 VAL CA C 925 64.215 64.215 63.337 0.878 19955 10183 1 13 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.646 0.075 19955 10184 1 13 . 1 1 925 925 VAL H H 925 8.911 8.911 8.645 0.267 19955 10185 1 13 . 1 1 926 926 ILE N N 926 129.390 129.390 128.274 1.116 19955 10186 1 13 . 1 1 926 926 ILE HA H 926 4.037 4.037 4.094 -0.057 19955 10187 1 13 . 1 1 926 926 ILE C C 926 175.683 175.683 175.869 -0.186 19955 10188 1 13 . 1 1 926 926 ILE CA C 926 61.578 61.578 61.624 -0.046 19955 10189 1 13 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.969 -0.422 19955 10190 1 13 . 1 1 926 926 ILE H H 926 8.519 8.519 8.274 0.245 19955 10191 1 13 . 1 1 927 927 LYS N N 927 122.060 122.060 120.380 1.680 19955 10192 1 13 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.500 0.112 19955 10193 1 13 . 1 1 927 927 LYS C C 927 175.204 175.204 174.995 0.209 19955 10194 1 13 . 1 1 927 927 LYS CA C 927 55.597 55.597 54.946 0.651 19955 10195 1 13 . 1 1 927 927 LYS CB C 927 35.633 35.633 34.648 0.985 19955 10196 1 13 . 1 1 927 927 LYS H H 927 8.017 8.017 7.430 0.587 19955 10197 1 13 . 1 1 928 928 ARG N N 928 126.441 126.441 124.879 1.562 19955 10198 1 13 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.722 -0.295 19955 10199 1 13 . 1 1 928 928 ARG C C 928 173.959 173.959 174.452 -0.493 19955 10200 1 13 . 1 1 928 928 ARG CA C 928 55.488 55.488 53.366 2.122 19955 10201 1 13 . 1 1 928 928 ARG CB C 928 29.713 29.713 30.379 -0.666 19955 10202 1 13 . 1 1 928 928 ARG H H 928 8.729 8.729 8.629 0.100 19955 10203 1 13 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.450 0.063 19955 10204 1 13 . 1 1 929 929 PRO CA C 929 62.718 62.718 62.965 -0.247 19955 10205 1 13 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.345 -0.729 19955 10206 1 14 . 1 1 790 790 MET HA H 790 4.396 4.396 4.816 -0.420 19955 10207 1 14 . 1 1 790 790 MET CA C 790 55.378 55.378 54.931 0.447 19955 10208 1 14 . 1 1 790 790 MET CB C 790 32.960 32.960 35.411 -2.451 19955 10209 1 14 . 1 1 791 791 SER N N 791 118.373 118.373 115.608 2.765 19955 10210 1 14 . 1 1 791 791 SER HA H 791 4.362 4.362 4.601 -0.239 19955 10211 1 14 . 1 1 791 791 SER C C 791 175.043 175.043 174.676 0.367 19955 10212 1 14 . 1 1 791 791 SER CA C 791 58.532 58.532 58.696 -0.164 19955 10213 1 14 . 1 1 791 791 SER CB C 791 63.749 63.749 65.451 -1.702 19955 10214 1 14 . 1 1 791 791 SER H H 791 8.657 8.657 8.542 0.115 19955 10215 1 14 . 1 1 792 792 GLY N N 792 111.254 111.254 109.175 2.079 19955 10216 1 14 . 1 1 792 792 GLY C C 792 174.362 174.362 174.194 0.168 19955 10217 1 14 . 1 1 792 792 GLY CA C 792 45.539 45.539 44.814 0.725 19955 10218 1 14 . 1 1 792 792 GLY H H 792 8.560 8.560 8.397 0.163 19955 10219 1 14 . 1 1 793 793 SER N N 793 115.369 115.369 115.650 -0.281 19955 10220 1 14 . 1 1 793 793 SER HA H 793 4.409 4.409 4.349 0.060 19955 10221 1 14 . 1 1 793 793 SER C C 793 174.396 174.396 174.118 0.278 19955 10222 1 14 . 1 1 793 793 SER CA C 793 58.485 58.485 58.619 -0.134 19955 10223 1 14 . 1 1 793 793 SER CB C 793 63.845 63.845 63.033 0.812 19955 10224 1 14 . 1 1 793 793 SER H H 793 8.102 8.102 8.266 -0.164 19955 10225 1 14 . 1 1 794 794 GLU N N 794 122.660 122.660 121.475 1.185 19955 10226 1 14 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.282 -0.072 19955 10227 1 14 . 1 1 794 794 GLU C C 794 175.970 175.970 175.585 0.385 19955 10228 1 14 . 1 1 794 794 GLU CA C 794 56.849 56.849 57.114 -0.265 19955 10229 1 14 . 1 1 794 794 GLU CB C 794 30.261 30.261 30.479 -0.218 19955 10230 1 14 . 1 1 794 794 GLU H H 794 8.565 8.565 8.378 0.187 19955 10231 1 14 . 1 1 795 795 MET N N 795 119.544 119.544 121.355 -1.811 19955 10232 1 14 . 1 1 795 795 MET HA H 795 4.653 4.653 5.393 -0.740 19955 10233 1 14 . 1 1 795 795 MET C C 795 175.590 175.590 176.433 -0.843 19955 10234 1 14 . 1 1 795 795 MET CA C 795 55.135 55.135 54.187 0.948 19955 10235 1 14 . 1 1 795 795 MET CB C 795 32.378 32.378 35.654 -3.276 19955 10236 1 14 . 1 1 795 795 MET H H 795 8.156 8.156 8.421 -0.265 19955 10237 1 14 . 1 1 796 796 ARG N N 796 122.177 122.177 120.029 2.148 19955 10238 1 14 . 1 1 796 796 ARG HA H 796 4.911 4.911 5.072 -0.161 19955 10239 1 14 . 1 1 796 796 ARG C C 796 173.378 173.378 174.009 -0.631 19955 10240 1 14 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.172 -0.237 19955 10241 1 14 . 1 1 796 796 ARG CB C 796 32.172 32.172 32.557 -0.385 19955 10242 1 14 . 1 1 796 796 ARG H H 796 8.358 8.358 8.646 -0.288 19955 10243 1 14 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.410 0.286 19955 10244 1 14 . 1 1 797 797 PRO C C 797 175.805 175.805 175.699 0.106 19955 10245 1 14 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.616 -0.459 19955 10246 1 14 . 1 1 797 797 PRO CB C 797 32.377 32.377 32.356 0.021 19955 10247 1 14 . 1 1 798 798 ALA N N 798 123.383 123.383 121.104 2.279 19955 10248 1 14 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.910 -0.211 19955 10249 1 14 . 1 1 798 798 ALA C C 798 173.534 173.534 174.711 -1.177 19955 10250 1 14 . 1 1 798 798 ALA CA C 798 50.823 50.823 51.670 -0.847 19955 10251 1 14 . 1 1 798 798 ALA CB C 798 23.723 23.723 22.737 0.986 19955 10252 1 14 . 1 1 798 798 ALA H H 798 8.820 8.820 7.803 1.017 19955 10253 1 14 . 1 1 799 799 ARG N N 799 118.968 118.968 121.381 -2.413 19955 10254 1 14 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.597 0.744 19955 10255 1 14 . 1 1 799 799 ARG C C 799 176.215 176.215 174.477 1.738 19955 10256 1 14 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.597 -1.475 19955 10257 1 14 . 1 1 799 799 ARG CB C 799 34.439 34.439 34.205 0.234 19955 10258 1 14 . 1 1 799 799 ARG H H 799 8.803 8.803 8.214 0.589 19955 10259 1 14 . 1 1 800 800 ALA N N 800 128.073 128.073 129.477 -1.404 19955 10260 1 14 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.587 -0.050 19955 10261 1 14 . 1 1 800 800 ALA C C 800 178.146 178.146 176.083 2.063 19955 10262 1 14 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.730 0.478 19955 10263 1 14 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.601 -0.947 19955 10264 1 14 . 1 1 800 800 ALA H H 800 9.037 9.037 8.260 0.777 19955 10265 1 14 . 1 1 801 801 LYS N N 801 127.334 127.334 124.439 2.895 19955 10266 1 14 . 1 1 801 801 LYS HA H 801 3.758 3.758 3.923 -0.165 19955 10267 1 14 . 1 1 801 801 LYS C C 801 174.213 174.213 175.037 -0.824 19955 10268 1 14 . 1 1 801 801 LYS CA C 801 57.344 57.344 56.570 0.774 19955 10269 1 14 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.108 0.540 19955 10270 1 14 . 1 1 801 801 LYS H H 801 9.291 9.291 8.151 1.140 19955 10271 1 14 . 1 1 802 802 PHE N N 802 111.696 111.696 117.683 -5.987 19955 10272 1 14 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.423 0.318 19955 10273 1 14 . 1 1 802 802 PHE C C 802 173.408 173.408 174.839 -1.431 19955 10274 1 14 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.418 -3.049 19955 10275 1 14 . 1 1 802 802 PHE CB C 802 43.242 43.242 41.668 1.574 19955 10276 1 14 . 1 1 802 802 PHE H H 802 7.069 7.069 7.268 -0.199 19955 10277 1 14 . 1 1 803 803 ASP N N 803 117.498 117.498 121.525 -4.027 19955 10278 1 14 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.477 0.047 19955 10279 1 14 . 1 1 803 803 ASP C C 803 175.782 175.782 174.798 0.984 19955 10280 1 14 . 1 1 803 803 ASP CA C 803 54.726 54.726 54.459 0.267 19955 10281 1 14 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.668 -0.514 19955 10282 1 14 . 1 1 803 803 ASP H H 803 8.339 8.339 8.497 -0.158 19955 10283 1 14 . 1 1 804 804 PHE N N 804 123.264 123.264 121.341 1.923 19955 10284 1 14 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.951 0.041 19955 10285 1 14 . 1 1 804 804 PHE C C 804 173.750 173.750 174.166 -0.416 19955 10286 1 14 . 1 1 804 804 PHE CA C 804 56.221 56.221 57.146 -0.925 19955 10287 1 14 . 1 1 804 804 PHE CB C 804 42.132 42.132 43.090 -0.959 19955 10288 1 14 . 1 1 804 804 PHE H H 804 9.223 9.223 9.116 0.107 19955 10289 1 14 . 1 1 805 805 LYS N N 805 129.548 129.548 127.789 1.759 19955 10290 1 14 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.529 -0.408 19955 10291 1 14 . 1 1 805 805 LYS C C 805 174.042 174.042 175.358 -1.316 19955 10292 1 14 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.994 -0.626 19955 10293 1 14 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.033 -1.252 19955 10294 1 14 . 1 1 805 805 LYS H H 805 8.125 8.125 8.145 -0.019 19955 10295 1 14 . 1 1 806 806 ALA N N 806 127.231 127.231 129.041 -1.810 19955 10296 1 14 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.716 -0.834 19955 10297 1 14 . 1 1 806 806 ALA C C 806 178.066 178.066 177.839 0.227 19955 10298 1 14 . 1 1 806 806 ALA CA C 806 51.598 51.598 53.034 -1.436 19955 10299 1 14 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.594 0.911 19955 10300 1 14 . 1 1 806 806 ALA H H 806 7.291 7.291 8.737 -1.446 19955 10301 1 14 . 1 1 807 807 GLN N N 807 121.482 121.482 121.008 0.474 19955 10302 1 14 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.475 -0.149 19955 10303 1 14 . 1 1 807 807 GLN C C 807 175.927 175.927 176.190 -0.263 19955 10304 1 14 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.682 -0.476 19955 10305 1 14 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.668 1.274 19955 10306 1 14 . 1 1 807 807 GLN H H 807 9.375 9.375 9.107 0.268 19955 10307 1 14 . 1 1 808 808 THR N N 808 108.842 108.842 109.725 -0.883 19955 10308 1 14 . 1 1 808 808 THR HA H 808 4.661 4.661 4.681 -0.020 19955 10309 1 14 . 1 1 808 808 THR C C 808 175.262 175.262 174.830 0.432 19955 10310 1 14 . 1 1 808 808 THR CA C 808 59.313 59.313 59.907 -0.595 19955 10311 1 14 . 1 1 808 808 THR CB C 808 71.810 71.810 71.877 -0.067 19955 10312 1 14 . 1 1 808 808 THR H H 808 7.472 7.472 7.421 0.051 19955 10313 1 14 . 1 1 809 809 LEU N N 809 119.518 119.518 121.602 -2.084 19955 10314 1 14 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.154 0.046 19955 10315 1 14 . 1 1 809 809 LEU C C 809 177.895 177.895 177.330 0.565 19955 10316 1 14 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.109 -0.022 19955 10317 1 14 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.592 0.309 19955 10318 1 14 . 1 1 809 809 LEU H H 809 8.387 8.387 8.682 -0.295 19955 10319 1 14 . 1 1 810 810 LYS N N 810 115.587 115.587 115.592 -0.005 19955 10320 1 14 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.054 0.176 19955 10321 1 14 . 1 1 810 810 LYS C C 810 177.172 177.172 177.085 0.087 19955 10322 1 14 . 1 1 810 810 LYS CA C 810 56.807 56.807 58.137 -1.330 19955 10323 1 14 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.555 0.504 19955 10324 1 14 . 1 1 810 810 LYS H H 810 7.707 7.707 7.832 -0.125 19955 10325 1 14 . 1 1 811 811 GLU N N 811 119.522 119.522 118.334 1.188 19955 10326 1 14 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.371 0.328 19955 10327 1 14 . 1 1 811 811 GLU C C 811 174.240 174.240 175.226 -0.986 19955 10328 1 14 . 1 1 811 811 GLU CA C 811 55.419 55.419 55.374 0.045 19955 10329 1 14 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.123 2.231 19955 10330 1 14 . 1 1 811 811 GLU H H 811 7.244 7.244 7.511 -0.267 19955 10331 1 14 . 1 1 812 812 LEU N N 812 126.910 126.910 126.373 0.537 19955 10332 1 14 . 1 1 812 812 LEU C C 812 172.269 172.269 175.734 -3.465 19955 10333 1 14 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.331 -0.820 19955 10334 1 14 . 1 1 812 812 LEU CB C 812 45.092 45.092 41.911 3.181 19955 10335 1 14 . 1 1 812 812 LEU H H 812 9.168 9.168 8.291 0.877 19955 10336 1 14 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.943 -0.506 19955 10337 1 14 . 1 1 813 813 PRO C C 813 176.755 176.755 175.645 1.110 19955 10338 1 14 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.679 -0.133 19955 10339 1 14 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.602 -0.628 19955 10340 1 14 . 1 1 814 814 LEU N N 814 118.726 118.726 122.553 -3.827 19955 10341 1 14 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.398 0.248 19955 10342 1 14 . 1 1 814 814 LEU C C 814 176.452 176.452 175.583 0.869 19955 10343 1 14 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.543 -0.152 19955 10344 1 14 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.753 0.143 19955 10345 1 14 . 1 1 814 814 LEU H H 814 8.532 8.532 8.613 -0.081 19955 10346 1 14 . 1 1 815 815 GLN N N 815 123.473 123.473 120.743 2.730 19955 10347 1 14 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.537 0.214 19955 10348 1 14 . 1 1 815 815 GLN C C 815 174.820 174.820 175.684 -0.864 19955 10349 1 14 . 1 1 815 815 GLN CA C 815 53.336 53.336 54.165 -0.829 19955 10350 1 14 . 1 1 815 815 GLN CB C 815 31.094 31.094 30.890 0.204 19955 10351 1 14 . 1 1 815 815 GLN H H 815 8.938 8.938 8.498 0.440 19955 10352 1 14 . 1 1 816 816 LYS N N 816 122.982 122.982 124.318 -1.336 19955 10353 1 14 . 1 1 816 816 LYS HA H 816 3.115 3.115 4.125 -1.010 19955 10354 1 14 . 1 1 816 816 LYS C C 816 177.030 177.030 175.879 1.151 19955 10355 1 14 . 1 1 816 816 LYS CA C 816 58.676 58.676 56.842 1.834 19955 10356 1 14 . 1 1 816 816 LYS CB C 816 32.242 32.242 30.534 1.708 19955 10357 1 14 . 1 1 816 816 LYS H H 816 8.888 8.888 8.935 -0.047 19955 10358 1 14 . 1 1 817 817 GLY N N 817 115.370 115.370 107.258 8.112 19955 10359 1 14 . 1 1 817 817 GLY C C 817 174.271 174.271 172.801 1.470 19955 10360 1 14 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.861 -0.200 19955 10361 1 14 . 1 1 817 817 GLY H H 817 8.870 8.870 8.292 0.578 19955 10362 1 14 . 1 1 818 818 ASP N N 818 123.102 123.102 121.719 1.383 19955 10363 1 14 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.817 -0.488 19955 10364 1 14 . 1 1 818 818 ASP C C 818 175.076 175.076 175.897 -0.821 19955 10365 1 14 . 1 1 818 818 ASP CA C 818 55.595 55.595 51.785 3.810 19955 10366 1 14 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.245 0.293 19955 10367 1 14 . 1 1 818 818 ASP H H 818 8.468 8.468 7.824 0.644 19955 10368 1 14 . 1 1 819 819 ILE N N 819 121.053 121.053 126.598 -5.545 19955 10369 1 14 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.240 0.580 19955 10370 1 14 . 1 1 819 819 ILE C C 819 175.630 175.630 175.659 -0.029 19955 10371 1 14 . 1 1 819 819 ILE CA C 819 58.602 58.602 60.737 -2.135 19955 10372 1 14 . 1 1 819 819 ILE CB C 819 36.541 36.541 36.583 -0.042 19955 10373 1 14 . 1 1 819 819 ILE H H 819 8.286 8.286 8.470 -0.184 19955 10374 1 14 . 1 1 820 820 VAL N N 820 124.554 124.554 120.389 4.165 19955 10375 1 14 . 1 1 820 820 VAL HA H 820 4.679 4.679 4.744 -0.065 19955 10376 1 14 . 1 1 820 820 VAL C C 820 172.751 172.751 173.531 -0.780 19955 10377 1 14 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.375 -0.514 19955 10378 1 14 . 1 1 820 820 VAL CB C 820 34.372 34.372 34.696 -0.324 19955 10379 1 14 . 1 1 820 820 VAL H H 820 8.717 8.717 8.578 0.139 19955 10380 1 14 . 1 1 821 821 TYR N N 821 120.296 120.296 119.771 0.525 19955 10381 1 14 . 1 1 821 821 TYR HA H 821 4.803 4.803 4.897 -0.094 19955 10382 1 14 . 1 1 821 821 TYR C C 821 175.760 175.760 176.101 -0.341 19955 10383 1 14 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.287 0.551 19955 10384 1 14 . 1 1 821 821 TYR CB C 821 40.132 40.132 39.672 0.460 19955 10385 1 14 . 1 1 821 821 TYR H H 821 8.360 8.360 8.129 0.231 19955 10386 1 14 . 1 1 822 822 ILE N N 822 123.440 123.440 123.327 0.113 19955 10387 1 14 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.337 -0.472 19955 10388 1 14 . 1 1 822 822 ILE C C 822 176.541 176.541 176.414 0.127 19955 10389 1 14 . 1 1 822 822 ILE CA C 822 62.327 62.327 59.501 2.826 19955 10390 1 14 . 1 1 822 822 ILE CB C 822 39.429 39.429 36.786 2.643 19955 10391 1 14 . 1 1 822 822 ILE H H 822 8.991 8.991 8.691 0.300 19955 10392 1 14 . 1 1 823 823 TYR N N 823 127.197 127.197 126.067 1.130 19955 10393 1 14 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.606 0.462 19955 10394 1 14 . 1 1 823 823 TYR C C 823 176.327 176.327 175.828 0.499 19955 10395 1 14 . 1 1 823 823 TYR CA C 823 56.331 56.331 59.389 -3.058 19955 10396 1 14 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.251 -1.966 19955 10397 1 14 . 1 1 823 823 TYR H H 823 9.699 9.699 8.731 0.968 19955 10398 1 14 . 1 1 824 824 LYS N N 824 113.691 113.691 114.733 -1.042 19955 10399 1 14 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.718 -0.054 19955 10400 1 14 . 1 1 824 824 LYS C C 824 174.044 174.044 174.392 -0.348 19955 10401 1 14 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.445 -0.144 19955 10402 1 14 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.551 0.553 19955 10403 1 14 . 1 1 824 824 LYS H H 824 7.904 7.904 7.479 0.425 19955 10404 1 14 . 1 1 825 825 GLN N N 825 122.998 122.998 120.992 2.006 19955 10405 1 14 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.076 0.538 19955 10406 1 14 . 1 1 825 825 GLN C C 825 175.372 175.372 175.701 -0.329 19955 10407 1 14 . 1 1 825 825 GLN CA C 825 55.970 55.970 55.217 0.753 19955 10408 1 14 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.119 -0.105 19955 10409 1 14 . 1 1 825 825 GLN H H 825 9.091 9.091 8.624 0.467 19955 10410 1 14 . 1 1 826 826 ILE N N 826 126.911 126.911 126.658 0.253 19955 10411 1 14 . 1 1 826 826 ILE HA H 826 3.950 3.950 3.868 0.082 19955 10412 1 14 . 1 1 826 826 ILE C C 826 175.447 175.447 176.444 -0.997 19955 10413 1 14 . 1 1 826 826 ILE CA C 826 62.062 62.062 62.993 -0.931 19955 10414 1 14 . 1 1 826 826 ILE CB C 826 38.179 38.179 37.912 0.267 19955 10415 1 14 . 1 1 826 826 ILE H H 826 8.356 8.356 8.312 0.044 19955 10416 1 14 . 1 1 827 827 ASP N N 827 118.575 118.575 115.872 2.703 19955 10417 1 14 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.952 -0.533 19955 10418 1 14 . 1 1 827 827 ASP C C 827 175.673 175.673 176.978 -1.305 19955 10419 1 14 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.732 0.523 19955 10420 1 14 . 1 1 827 827 ASP CB C 827 40.120 40.120 42.444 -2.324 19955 10421 1 14 . 1 1 827 827 ASP H H 827 7.952 7.952 7.666 0.286 19955 10422 1 14 . 1 1 828 828 GLN N N 828 113.633 113.633 118.425 -4.792 19955 10423 1 14 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.008 -0.136 19955 10424 1 14 . 1 1 828 828 GLN C C 828 175.745 175.745 176.197 -0.452 19955 10425 1 14 . 1 1 828 828 GLN CA C 828 58.261 58.261 59.315 -1.054 19955 10426 1 14 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.955 -0.457 19955 10427 1 14 . 1 1 828 828 GLN H H 828 8.468 8.468 8.695 -0.227 19955 10428 1 14 . 1 1 829 829 ASN N N 829 114.412 114.412 114.298 0.114 19955 10429 1 14 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.947 -0.205 19955 10430 1 14 . 1 1 829 829 ASN C C 829 175.652 175.652 173.620 2.032 19955 10431 1 14 . 1 1 829 829 ASN CA C 829 53.641 53.641 52.273 1.368 19955 10432 1 14 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.078 2.737 19955 10433 1 14 . 1 1 829 829 ASN H H 829 8.799 8.799 8.359 0.440 19955 10434 1 14 . 1 1 830 830 TRP N N 830 121.661 121.661 118.998 2.663 19955 10435 1 14 . 1 1 830 830 TRP HA H 830 4.810 4.810 5.067 -0.257 19955 10436 1 14 . 1 1 830 830 TRP C C 830 175.077 175.077 174.861 0.216 19955 10437 1 14 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.771 0.519 19955 10438 1 14 . 1 1 830 830 TRP CB C 830 32.570 32.570 33.036 -0.466 19955 10439 1 14 . 1 1 830 830 TRP H H 830 8.033 8.033 7.629 0.404 19955 10440 1 14 . 1 1 831 831 TYR N N 831 120.163 120.163 119.722 0.441 19955 10441 1 14 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.863 0.182 19955 10442 1 14 . 1 1 831 831 TYR C C 831 173.672 173.672 173.637 0.035 19955 10443 1 14 . 1 1 831 831 TYR CA C 831 56.372 56.372 57.302 -0.930 19955 10444 1 14 . 1 1 831 831 TYR CB C 831 42.726 42.726 43.610 -0.884 19955 10445 1 14 . 1 1 831 831 TYR H H 831 8.721 8.721 9.359 -0.638 19955 10446 1 14 . 1 1 832 832 GLU N N 832 117.935 117.935 121.549 -3.614 19955 10447 1 14 . 1 1 832 832 GLU HA H 832 4.937 4.937 5.146 -0.209 19955 10448 1 14 . 1 1 832 832 GLU C C 832 176.121 176.121 175.003 1.118 19955 10449 1 14 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.390 0.014 19955 10450 1 14 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.799 0.156 19955 10451 1 14 . 1 1 832 832 GLU H H 832 8.696 8.696 8.376 0.320 19955 10452 1 14 . 1 1 833 833 GLY N N 833 115.171 115.171 112.158 3.013 19955 10453 1 14 . 1 1 833 833 GLY C C 833 168.962 168.962 171.944 -2.982 19955 10454 1 14 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.211 1.412 19955 10455 1 14 . 1 1 833 833 GLY H H 833 9.063 9.063 8.274 0.789 19955 10456 1 14 . 1 1 834 834 GLU N N 834 117.849 117.849 120.521 -2.672 19955 10457 1 14 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.693 -0.004 19955 10458 1 14 . 1 1 834 834 GLU C C 834 175.077 175.077 175.210 -0.133 19955 10459 1 14 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.205 -0.239 19955 10460 1 14 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.509 1.535 19955 10461 1 14 . 1 1 834 834 GLU H H 834 8.708 8.708 8.559 0.149 19955 10462 1 14 . 1 1 835 835 HIS N N 835 120.973 120.973 124.142 -3.169 19955 10463 1 14 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.182 -0.348 19955 10464 1 14 . 1 1 835 835 HIS C C 835 174.509 174.509 174.728 -0.219 19955 10465 1 14 . 1 1 835 835 HIS CA C 835 56.249 56.249 55.645 0.604 19955 10466 1 14 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.593 0.618 19955 10467 1 14 . 1 1 835 835 HIS H H 835 8.799 8.799 9.379 -0.580 19955 10468 1 14 . 1 1 836 836 HIS N N 836 125.728 125.728 127.094 -1.366 19955 10469 1 14 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.123 0.043 19955 10470 1 14 . 1 1 836 836 HIS C C 836 175.012 175.012 174.589 0.423 19955 10471 1 14 . 1 1 836 836 HIS CA C 836 55.689 55.689 56.780 -1.091 19955 10472 1 14 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.921 -0.927 19955 10473 1 14 . 1 1 836 836 HIS H H 836 9.163 9.163 9.178 -0.015 19955 10474 1 14 . 1 1 837 837 GLY N N 837 104.909 104.909 102.942 1.967 19955 10475 1 14 . 1 1 837 837 GLY C C 837 173.235 173.235 174.120 -0.885 19955 10476 1 14 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.211 0.443 19955 10477 1 14 . 1 1 837 837 GLY H H 837 9.070 9.070 8.469 0.601 19955 10478 1 14 . 1 1 838 838 ARG N N 838 122.925 122.925 120.465 2.460 19955 10479 1 14 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.779 -0.186 19955 10480 1 14 . 1 1 838 838 ARG C C 838 173.682 173.682 174.488 -0.806 19955 10481 1 14 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.887 -0.006 19955 10482 1 14 . 1 1 838 838 ARG CB C 838 32.058 32.058 32.766 -0.708 19955 10483 1 14 . 1 1 838 838 ARG H H 838 7.814 7.814 8.074 -0.260 19955 10484 1 14 . 1 1 839 839 VAL N N 839 123.572 123.572 121.925 1.647 19955 10485 1 14 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.415 -0.281 19955 10486 1 14 . 1 1 839 839 VAL C C 839 177.296 177.296 174.135 3.161 19955 10487 1 14 . 1 1 839 839 VAL CA C 839 60.200 60.200 60.057 0.143 19955 10488 1 14 . 1 1 839 839 VAL CB C 839 33.994 33.994 34.771 -0.777 19955 10489 1 14 . 1 1 839 839 VAL H H 839 8.360 8.360 8.635 -0.275 19955 10490 1 14 . 1 1 840 840 GLY N N 840 114.006 114.006 114.243 -0.237 19955 10491 1 14 . 1 1 840 840 GLY C C 840 171.246 171.246 171.561 -0.315 19955 10492 1 14 . 1 1 840 840 GLY CA C 840 45.896 45.896 44.277 1.619 19955 10493 1 14 . 1 1 840 840 GLY H H 840 8.951 8.951 8.056 0.895 19955 10494 1 14 . 1 1 841 841 ILE N N 841 112.496 112.496 115.487 -2.991 19955 10495 1 14 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.451 1.430 19955 10496 1 14 . 1 1 841 841 ILE C C 841 176.120 176.120 172.591 3.529 19955 10497 1 14 . 1 1 841 841 ILE CA C 841 59.367 59.367 59.064 0.303 19955 10498 1 14 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.741 -0.824 19955 10499 1 14 . 1 1 841 841 ILE H H 841 8.434 8.434 7.560 0.874 19955 10500 1 14 . 1 1 842 842 PHE N N 842 116.289 116.289 120.041 -3.752 19955 10501 1 14 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.748 0.223 19955 10502 1 14 . 1 1 842 842 PHE C C 842 171.777 171.777 172.778 -1.001 19955 10503 1 14 . 1 1 842 842 PHE CA C 842 54.265 54.265 54.841 -0.576 19955 10504 1 14 . 1 1 842 842 PHE CB C 842 37.515 37.515 41.210 -3.695 19955 10505 1 14 . 1 1 842 842 PHE H H 842 8.408 8.408 9.036 -0.627 19955 10506 1 14 . 1 1 843 843 PRO HA H 843 3.934 3.934 3.773 0.161 19955 10507 1 14 . 1 1 843 843 PRO C C 843 178.228 178.228 177.711 0.517 19955 10508 1 14 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.447 -0.834 19955 10509 1 14 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.773 -0.378 19955 10510 1 14 . 1 1 844 844 ARG N N 844 122.291 122.291 124.870 -2.579 19955 10511 1 14 . 1 1 844 844 ARG HA H 844 3.944 3.944 3.996 -0.052 19955 10512 1 14 . 1 1 844 844 ARG C C 844 178.171 178.171 178.307 -0.136 19955 10513 1 14 . 1 1 844 844 ARG CA C 844 58.618 58.618 60.327 -1.709 19955 10514 1 14 . 1 1 844 844 ARG CB C 844 30.297 30.297 30.413 -0.116 19955 10515 1 14 . 1 1 844 844 ARG H H 844 7.906 7.906 8.711 -0.805 19955 10516 1 14 . 1 1 845 845 THR N N 845 105.068 105.068 113.293 -8.225 19955 10517 1 14 . 1 1 845 845 THR HA H 845 4.159 4.159 4.191 -0.032 19955 10518 1 14 . 1 1 845 845 THR C C 845 175.363 175.363 175.372 -0.009 19955 10519 1 14 . 1 1 845 845 THR CA C 845 63.035 63.035 65.324 -2.289 19955 10520 1 14 . 1 1 845 845 THR CB C 845 69.022 69.022 68.607 0.415 19955 10521 1 14 . 1 1 845 845 THR H H 845 7.907 7.907 8.225 -0.318 19955 10522 1 14 . 1 1 846 846 TYR N N 846 118.977 118.977 118.392 0.585 19955 10523 1 14 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.784 -0.249 19955 10524 1 14 . 1 1 846 846 TYR C C 846 174.917 174.917 174.669 0.248 19955 10525 1 14 . 1 1 846 846 TYR CA C 846 58.751 58.751 57.670 1.081 19955 10526 1 14 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.194 -1.139 19955 10527 1 14 . 1 1 846 846 TYR H H 846 7.611 7.611 7.716 -0.105 19955 10528 1 14 . 1 1 847 847 ILE N N 847 113.230 113.230 112.680 0.550 19955 10529 1 14 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.049 0.050 19955 10530 1 14 . 1 1 847 847 ILE C C 847 174.141 174.141 174.489 -0.348 19955 10531 1 14 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.343 -0.889 19955 10532 1 14 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.605 -0.414 19955 10533 1 14 . 1 1 847 847 ILE H H 847 7.390 7.390 7.435 -0.045 19955 10534 1 14 . 1 1 848 848 GLU N N 848 121.909 121.909 120.348 1.561 19955 10535 1 14 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.602 -0.054 19955 10536 1 14 . 1 1 848 848 GLU C C 848 175.193 175.193 174.966 0.227 19955 10537 1 14 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.600 -0.936 19955 10538 1 14 . 1 1 848 848 GLU CB C 848 32.624 32.624 33.078 -0.454 19955 10539 1 14 . 1 1 848 848 GLU H H 848 8.786 8.786 8.162 0.624 19955 10540 1 14 . 1 1 849 849 LEU N N 849 126.431 126.431 127.241 -0.810 19955 10541 1 14 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.212 -0.121 19955 10542 1 14 . 1 1 849 849 LEU C C 849 177.019 177.019 176.748 0.271 19955 10543 1 14 . 1 1 849 849 LEU CA C 849 55.667 55.667 54.678 0.989 19955 10544 1 14 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.249 -0.707 19955 10545 1 14 . 1 1 849 849 LEU H H 849 8.730 8.730 8.609 0.121 19955 10546 1 14 . 1 1 850 850 LEU N N 850 123.942 123.942 125.656 -1.714 19955 10547 1 14 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.081 0.481 19955 10548 1 14 . 1 1 850 850 LEU C C 850 174.453 174.453 174.196 0.257 19955 10549 1 14 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.177 -1.372 19955 10550 1 14 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.323 -0.360 19955 10551 1 14 . 1 1 850 850 LEU H H 850 7.846 7.846 7.982 -0.136 19955 10552 1 14 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.344 -0.015 19955 10553 1 14 . 1 1 852 852 PRO C C 852 176.580 176.580 176.559 0.021 19955 10554 1 14 . 1 1 852 852 PRO CA C 852 62.903 62.903 62.580 0.323 19955 10555 1 14 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.195 -0.430 19955 10556 1 14 . 1 1 853 853 ALA N N 853 124.102 124.102 123.477 0.625 19955 10557 1 14 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.212 0.028 19955 10558 1 14 . 1 1 853 853 ALA C C 853 177.767 177.767 177.425 0.342 19955 10559 1 14 . 1 1 853 853 ALA CA C 853 52.258 52.258 52.301 -0.043 19955 10560 1 14 . 1 1 853 853 ALA CB C 853 19.516 19.516 19.450 0.066 19955 10561 1 14 . 1 1 853 853 ALA H H 853 8.354 8.354 8.116 0.238 19955 10562 1 14 . 1 1 854 854 GLU N N 854 120.540 120.540 120.819 -0.279 19955 10563 1 14 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.525 -0.322 19955 10564 1 14 . 1 1 854 854 GLU C C 854 176.402 176.402 175.728 0.674 19955 10565 1 14 . 1 1 854 854 GLU CA C 854 56.380 56.380 55.546 0.834 19955 10566 1 14 . 1 1 854 854 GLU CB C 854 30.432 30.432 30.925 -0.494 19955 10567 1 14 . 1 1 854 854 GLU H H 854 8.348 8.348 8.375 -0.027 19955 10568 1 14 . 1 1 855 855 LYS N N 855 122.717 122.717 122.430 0.287 19955 10569 1 14 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.371 -0.156 19955 10570 1 14 . 1 1 855 855 LYS C C 855 176.078 176.078 176.203 -0.125 19955 10571 1 14 . 1 1 855 855 LYS CA C 855 56.018 56.018 55.953 0.065 19955 10572 1 14 . 1 1 855 855 LYS CB C 855 33.187 33.187 33.071 0.116 19955 10573 1 14 . 1 1 855 855 LYS H H 855 8.305 8.305 8.493 -0.188 19955 10574 1 14 . 1 1 856 856 ALA N N 856 125.584 125.584 125.138 0.446 19955 10575 1 14 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.497 -0.256 19955 10576 1 14 . 1 1 856 856 ALA C C 856 177.276 177.276 176.861 0.415 19955 10577 1 14 . 1 1 856 856 ALA CA C 856 52.046 52.046 51.804 0.242 19955 10578 1 14 . 1 1 856 856 ALA CB C 856 19.294 19.294 19.271 0.023 19955 10579 1 14 . 1 1 856 856 ALA H H 856 8.219 8.219 8.334 -0.115 19955 10580 1 14 . 1 1 857 857 GLN N N 857 121.223 121.223 123.973 -2.750 19955 10581 1 14 . 1 1 857 857 GLN C C 857 173.964 173.964 173.916 0.048 19955 10582 1 14 . 1 1 857 857 GLN CA C 857 53.490 53.490 53.997 -0.507 19955 10583 1 14 . 1 1 857 857 GLN CB C 857 29.040 29.040 29.688 -0.648 19955 10584 1 14 . 1 1 857 857 GLN H H 857 8.333 8.333 8.684 -0.351 19955 10585 1 14 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.523 -0.185 19955 10586 1 14 . 1 1 858 858 PRO C C 858 176.696 176.696 175.674 1.022 19955 10587 1 14 . 1 1 858 858 PRO CA C 858 62.910 62.910 62.575 0.335 19955 10588 1 14 . 1 1 858 858 PRO CB C 858 32.075 32.075 30.278 1.797 19955 10589 1 14 . 1 1 859 859 LYS N N 859 121.891 121.891 124.127 -2.236 19955 10590 1 14 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.349 -0.159 19955 10591 1 14 . 1 1 859 859 LYS C C 859 176.382 176.382 175.761 0.621 19955 10592 1 14 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.456 -0.327 19955 10593 1 14 . 1 1 859 859 LYS CB C 859 33.070 33.070 32.709 0.361 19955 10594 1 14 . 1 1 859 859 LYS H H 859 8.355 8.355 8.078 0.277 19955 10595 1 14 . 1 1 860 860 LYS N N 860 123.002 123.002 123.277 -0.275 19955 10596 1 14 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.464 -0.219 19955 10597 1 14 . 1 1 860 860 LYS C C 860 176.131 176.131 174.918 1.213 19955 10598 1 14 . 1 1 860 860 LYS CA C 860 55.852 55.852 55.171 0.681 19955 10599 1 14 . 1 1 860 860 LYS CB C 860 33.148 33.148 33.501 -0.353 19955 10600 1 14 . 1 1 860 860 LYS H H 860 8.267 8.267 8.513 -0.246 19955 10601 1 14 . 1 1 861 861 LEU N N 861 124.576 124.576 123.360 1.216 19955 10602 1 14 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.378 -0.022 19955 10603 1 14 . 1 1 861 861 LEU C C 861 177.069 177.069 177.116 -0.047 19955 10604 1 14 . 1 1 861 861 LEU CA C 861 54.795 54.795 54.688 0.107 19955 10605 1 14 . 1 1 861 861 LEU CB C 861 42.350 42.350 41.157 1.193 19955 10606 1 14 . 1 1 861 861 LEU H H 861 8.316 8.316 8.404 -0.088 19955 10607 1 14 . 1 1 862 862 THR N N 862 117.878 117.878 121.241 -3.363 19955 10608 1 14 . 1 1 862 862 THR HA H 862 4.729 4.729 4.417 0.312 19955 10609 1 14 . 1 1 862 862 THR C C 862 172.639 172.639 173.200 -0.561 19955 10610 1 14 . 1 1 862 862 THR CA C 862 59.644 59.644 60.742 -1.098 19955 10611 1 14 . 1 1 862 862 THR CB C 862 69.476 69.476 69.572 -0.096 19955 10612 1 14 . 1 1 862 862 THR H H 862 8.162 8.162 8.147 0.015 19955 10613 1 14 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.574 -0.206 19955 10614 1 14 . 1 1 863 863 PRO C C 863 176.753 176.753 175.160 1.593 19955 10615 1 14 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.740 0.452 19955 10616 1 14 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.436 -0.378 19955 10617 1 14 . 1 1 864 864 VAL N N 864 120.359 120.359 118.966 1.393 19955 10618 1 14 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.423 -0.438 19955 10619 1 14 . 1 1 864 864 VAL C C 864 175.964 175.964 174.779 1.185 19955 10620 1 14 . 1 1 864 864 VAL CA C 864 62.342 62.342 60.535 1.807 19955 10621 1 14 . 1 1 864 864 VAL CB C 864 32.521 32.521 33.612 -1.091 19955 10622 1 14 . 1 1 864 864 VAL H H 864 8.102 8.102 7.799 0.303 19955 10623 1 14 . 1 1 865 865 GLN N N 865 124.642 124.642 120.335 4.307 19955 10624 1 14 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.731 -0.445 19955 10625 1 14 . 1 1 865 865 GLN C C 865 175.443 175.443 175.031 0.412 19955 10626 1 14 . 1 1 865 865 GLN CA C 865 55.595 55.595 55.230 0.365 19955 10627 1 14 . 1 1 865 865 GLN CB C 865 29.739 29.739 30.676 -0.937 19955 10628 1 14 . 1 1 865 865 GLN H H 865 8.333 8.333 8.242 0.091 19955 10629 1 14 . 1 1 866 866 VAL N N 866 123.436 123.436 121.839 1.597 19955 10630 1 14 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.310 -0.341 19955 10631 1 14 . 1 1 866 866 VAL C C 866 175.685 175.685 175.118 0.567 19955 10632 1 14 . 1 1 866 866 VAL CA C 866 62.398 62.398 62.449 -0.051 19955 10633 1 14 . 1 1 866 866 VAL CB C 866 32.832 32.832 32.198 0.634 19955 10634 1 14 . 1 1 866 866 VAL H H 866 8.189 8.189 8.520 -0.331 19955 10635 1 14 . 1 1 867 867 LEU N N 867 127.515 127.515 126.205 1.310 19955 10636 1 14 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.425 -0.163 19955 10637 1 14 . 1 1 867 867 LEU C C 867 177.037 177.037 175.789 1.248 19955 10638 1 14 . 1 1 867 867 LEU CA C 867 55.688 55.688 54.790 0.898 19955 10639 1 14 . 1 1 867 867 LEU CB C 867 42.552 42.552 43.511 -0.960 19955 10640 1 14 . 1 1 867 867 LEU H H 867 8.679 8.679 8.487 0.192 19955 10641 1 14 . 1 1 868 868 GLU N N 868 120.794 120.794 118.855 1.939 19955 10642 1 14 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.420 -0.201 19955 10643 1 14 . 1 1 868 868 GLU C C 868 175.353 175.353 175.007 0.346 19955 10644 1 14 . 1 1 868 868 GLU CA C 868 55.753 55.753 55.753 0.000 19955 10645 1 14 . 1 1 868 868 GLU CB C 868 31.419 31.419 31.258 0.161 19955 10646 1 14 . 1 1 868 868 GLU H H 868 8.272 8.272 7.741 0.531 19955 10647 1 14 . 1 1 869 869 TYR N N 869 121.165 121.165 121.356 -0.191 19955 10648 1 14 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.703 -0.003 19955 10649 1 14 . 1 1 869 869 TYR C C 869 176.824 176.824 175.587 1.237 19955 10650 1 14 . 1 1 869 869 TYR CA C 869 56.809 56.809 58.823 -2.014 19955 10651 1 14 . 1 1 869 869 TYR CB C 869 38.650 38.650 40.092 -1.442 19955 10652 1 14 . 1 1 869 869 TYR H H 869 8.003 8.003 9.011 -1.008 19955 10653 1 14 . 1 1 870 870 GLY N N 870 104.958 104.958 102.776 2.182 19955 10654 1 14 . 1 1 870 870 GLY C C 870 173.846 173.846 172.343 1.503 19955 10655 1 14 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.599 -0.380 19955 10656 1 14 . 1 1 870 870 GLY H H 870 8.590 8.590 7.526 1.064 19955 10657 1 14 . 1 1 871 871 GLU N N 871 122.341 122.341 118.682 3.659 19955 10658 1 14 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.359 -0.137 19955 10659 1 14 . 1 1 871 871 GLU C C 871 173.827 173.827 174.614 -0.787 19955 10660 1 14 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.447 1.412 19955 10661 1 14 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.154 0.780 19955 10662 1 14 . 1 1 871 871 GLU H H 871 9.246 9.246 8.012 1.234 19955 10663 1 14 . 1 1 872 872 ALA N N 872 126.709 126.709 123.373 3.336 19955 10664 1 14 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.028 0.076 19955 10665 1 14 . 1 1 872 872 ALA C C 872 174.022 174.022 174.759 -0.737 19955 10666 1 14 . 1 1 872 872 ALA CA C 872 50.135 50.135 51.121 -0.986 19955 10667 1 14 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.829 1.669 19955 10668 1 14 . 1 1 872 872 ALA H H 872 9.266 9.266 8.702 0.564 19955 10669 1 14 . 1 1 873 873 ILE N N 873 118.554 118.554 120.761 -2.207 19955 10670 1 14 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.947 -0.333 19955 10671 1 14 . 1 1 873 873 ILE C C 873 176.132 176.132 175.986 0.146 19955 10672 1 14 . 1 1 873 873 ILE CA C 873 58.788 58.788 58.284 0.504 19955 10673 1 14 . 1 1 873 873 ILE CB C 873 40.630 40.630 41.011 -0.381 19955 10674 1 14 . 1 1 873 873 ILE H H 873 8.522 8.522 8.119 0.403 19955 10675 1 14 . 1 1 874 874 ALA N N 874 129.739 129.739 130.724 -0.985 19955 10676 1 14 . 1 1 874 874 ALA HA H 874 4.037 4.037 3.998 0.039 19955 10677 1 14 . 1 1 874 874 ALA C C 874 178.259 178.259 177.194 1.065 19955 10678 1 14 . 1 1 874 874 ALA CA C 874 53.337 53.337 53.132 0.205 19955 10679 1 14 . 1 1 874 874 ALA CB C 874 21.278 21.278 18.988 2.290 19955 10680 1 14 . 1 1 874 874 ALA H H 874 8.608 8.608 8.025 0.583 19955 10681 1 14 . 1 1 875 875 LYS N N 875 127.308 127.308 126.140 1.168 19955 10682 1 14 . 1 1 875 875 LYS HA H 875 4.024 4.024 4.245 -0.221 19955 10683 1 14 . 1 1 875 875 LYS C C 875 174.098 174.098 176.659 -2.561 19955 10684 1 14 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.585 -1.486 19955 10685 1 14 . 1 1 875 875 LYS CB C 875 33.984 33.984 33.834 0.150 19955 10686 1 14 . 1 1 875 875 LYS H H 875 9.298 9.298 8.531 0.767 19955 10687 1 14 . 1 1 876 876 PHE N N 876 113.423 113.423 115.540 -2.117 19955 10688 1 14 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.833 0.078 19955 10689 1 14 . 1 1 876 876 PHE C C 876 174.050 174.050 173.084 0.966 19955 10690 1 14 . 1 1 876 876 PHE CA C 876 53.845 53.845 55.500 -1.655 19955 10691 1 14 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.212 2.530 19955 10692 1 14 . 1 1 876 876 PHE H H 876 7.328 7.328 7.887 -0.559 19955 10693 1 14 . 1 1 877 877 ASN N N 877 116.437 116.437 119.798 -3.361 19955 10694 1 14 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.346 0.443 19955 10695 1 14 . 1 1 877 877 ASN C C 877 174.454 174.454 172.997 1.457 19955 10696 1 14 . 1 1 877 877 ASN CA C 877 53.535 53.535 54.249 -0.714 19955 10697 1 14 . 1 1 877 877 ASN CB C 877 38.207 38.207 37.893 0.314 19955 10698 1 14 . 1 1 877 877 ASN H H 877 8.666 8.666 8.177 0.489 19955 10699 1 14 . 1 1 878 878 PHE N N 878 123.179 123.179 127.082 -3.903 19955 10700 1 14 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.077 0.588 19955 10701 1 14 . 1 1 878 878 PHE C C 878 173.027 173.027 172.706 0.321 19955 10702 1 14 . 1 1 878 878 PHE CA C 878 56.104 56.104 55.752 0.352 19955 10703 1 14 . 1 1 878 878 PHE CB C 878 42.086 42.086 41.787 0.299 19955 10704 1 14 . 1 1 878 878 PHE H H 878 8.433 8.433 7.981 0.452 19955 10705 1 14 . 1 1 879 879 ASN N N 879 127.113 127.113 125.762 1.351 19955 10706 1 14 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.291 0.271 19955 10707 1 14 . 1 1 879 879 ASN C C 879 173.174 173.174 174.604 -1.430 19955 10708 1 14 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.456 -0.526 19955 10709 1 14 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.551 -0.164 19955 10710 1 14 . 1 1 879 879 ASN H H 879 8.000 8.000 8.061 -0.061 19955 10711 1 14 . 1 1 880 880 GLY N N 880 110.949 110.949 112.627 -1.678 19955 10712 1 14 . 1 1 880 880 GLY C C 880 173.383 173.383 174.237 -0.854 19955 10713 1 14 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.703 0.955 19955 10714 1 14 . 1 1 880 880 GLY H H 880 7.997 7.997 8.389 -0.392 19955 10715 1 14 . 1 1 881 881 ASP N N 881 122.408 122.408 121.569 0.839 19955 10716 1 14 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.705 -0.072 19955 10717 1 14 . 1 1 881 881 ASP C C 881 176.286 176.286 176.753 -0.467 19955 10718 1 14 . 1 1 881 881 ASP CA C 881 55.196 55.196 55.343 -0.147 19955 10719 1 14 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.527 1.613 19955 10720 1 14 . 1 1 881 881 ASP H H 881 8.796 8.796 8.406 0.390 19955 10721 1 14 . 1 1 882 882 THR N N 882 108.354 108.354 110.313 -1.959 19955 10722 1 14 . 1 1 882 882 THR HA H 882 4.583 4.583 4.687 -0.104 19955 10723 1 14 . 1 1 882 882 THR C C 882 175.948 175.948 175.471 0.477 19955 10724 1 14 . 1 1 882 882 THR CA C 882 60.352 60.352 59.956 0.396 19955 10725 1 14 . 1 1 882 882 THR CB C 882 71.649 71.649 72.131 -0.482 19955 10726 1 14 . 1 1 882 882 THR H H 882 7.541 7.541 7.340 0.201 19955 10727 1 14 . 1 1 883 883 GLN N N 883 118.622 118.622 119.145 -0.523 19955 10728 1 14 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.040 0.112 19955 10729 1 14 . 1 1 883 883 GLN C C 883 176.478 176.478 176.804 -0.326 19955 10730 1 14 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.632 -0.436 19955 10731 1 14 . 1 1 883 883 GLN CB C 883 28.669 28.669 27.619 1.050 19955 10732 1 14 . 1 1 883 883 GLN H H 883 8.710 8.710 8.874 -0.164 19955 10733 1 14 . 1 1 884 884 VAL N N 884 111.473 111.473 118.723 -7.250 19955 10734 1 14 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.884 0.323 19955 10735 1 14 . 1 1 884 884 VAL C C 884 176.430 176.430 177.012 -0.582 19955 10736 1 14 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.914 -1.621 19955 10737 1 14 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.615 0.309 19955 10738 1 14 . 1 1 884 884 VAL H H 884 7.260 7.260 8.072 -0.812 19955 10739 1 14 . 1 1 885 885 GLU N N 885 121.794 121.794 117.749 4.045 19955 10740 1 14 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.886 0.022 19955 10741 1 14 . 1 1 885 885 GLU C C 885 175.369 175.369 175.808 -0.439 19955 10742 1 14 . 1 1 885 885 GLU CA C 885 55.310 55.310 56.426 -1.116 19955 10743 1 14 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.686 1.103 19955 10744 1 14 . 1 1 885 885 GLU H H 885 7.455 7.455 7.639 -0.184 19955 10745 1 14 . 1 1 886 886 MET N N 886 125.473 125.473 124.144 1.329 19955 10746 1 14 . 1 1 886 886 MET HA H 886 4.534 4.534 4.736 -0.202 19955 10747 1 14 . 1 1 886 886 MET C C 886 172.841 172.841 175.117 -2.276 19955 10748 1 14 . 1 1 886 886 MET CA C 886 54.129 54.129 54.526 -0.397 19955 10749 1 14 . 1 1 886 886 MET CB C 886 35.157 35.157 34.529 0.628 19955 10750 1 14 . 1 1 886 886 MET H H 886 8.996 8.996 8.958 0.038 19955 10751 1 14 . 1 1 887 887 SER N N 887 118.425 118.425 120.644 -2.219 19955 10752 1 14 . 1 1 887 887 SER HA H 887 4.402 4.402 4.387 0.015 19955 10753 1 14 . 1 1 887 887 SER C C 887 174.667 174.667 173.473 1.194 19955 10754 1 14 . 1 1 887 887 SER CA C 887 58.612 58.612 57.860 0.752 19955 10755 1 14 . 1 1 887 887 SER CB C 887 64.186 64.186 63.871 0.315 19955 10756 1 14 . 1 1 887 887 SER H H 887 7.888 7.888 8.442 -0.554 19955 10757 1 14 . 1 1 888 888 PHE N N 888 116.363 116.363 119.156 -2.793 19955 10758 1 14 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.924 -0.410 19955 10759 1 14 . 1 1 888 888 PHE C C 888 174.756 174.756 173.008 1.748 19955 10760 1 14 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.110 0.426 19955 10761 1 14 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.534 -0.732 19955 10762 1 14 . 1 1 888 888 PHE H H 888 8.780 8.780 8.251 0.529 19955 10763 1 14 . 1 1 889 889 ARG N N 889 121.944 121.944 120.380 1.564 19955 10764 1 14 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.419 0.553 19955 10765 1 14 . 1 1 889 889 ARG C C 889 175.318 175.318 176.643 -1.325 19955 10766 1 14 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.490 -1.192 19955 10767 1 14 . 1 1 889 889 ARG CB C 889 32.886 32.886 32.516 0.370 19955 10768 1 14 . 1 1 889 889 ARG H H 889 10.187 10.187 8.972 1.215 19955 10769 1 14 . 1 1 890 890 LYS N N 890 119.991 119.991 125.035 -5.044 19955 10770 1 14 . 1 1 890 890 LYS HA H 890 3.248 3.248 4.198 -0.950 19955 10771 1 14 . 1 1 890 890 LYS C C 890 176.504 176.504 176.249 0.255 19955 10772 1 14 . 1 1 890 890 LYS CA C 890 58.396 58.396 57.256 1.140 19955 10773 1 14 . 1 1 890 890 LYS CB C 890 32.829 32.829 30.415 2.414 19955 10774 1 14 . 1 1 890 890 LYS H H 890 8.360 8.360 8.796 -0.436 19955 10775 1 14 . 1 1 891 891 GLY N N 891 113.950 113.950 109.007 4.943 19955 10776 1 14 . 1 1 891 891 GLY C C 891 174.298 174.298 173.955 0.343 19955 10777 1 14 . 1 1 891 891 GLY CA C 891 44.668 44.668 45.280 -0.612 19955 10778 1 14 . 1 1 891 891 GLY H H 891 8.673 8.673 8.608 0.065 19955 10779 1 14 . 1 1 892 892 GLU N N 892 119.511 119.511 121.282 -1.771 19955 10780 1 14 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.463 -0.347 19955 10781 1 14 . 1 1 892 892 GLU C C 892 174.618 174.618 175.214 -0.596 19955 10782 1 14 . 1 1 892 892 GLU CA C 892 59.515 59.515 55.559 3.956 19955 10783 1 14 . 1 1 892 892 GLU CB C 892 30.581 30.581 31.436 -0.855 19955 10784 1 14 . 1 1 892 892 GLU H H 892 7.856 7.856 7.841 0.015 19955 10785 1 14 . 1 1 893 893 ARG N N 893 122.979 122.979 123.491 -0.512 19955 10786 1 14 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.897 -0.300 19955 10787 1 14 . 1 1 893 893 ARG C C 893 174.836 174.836 175.556 -0.720 19955 10788 1 14 . 1 1 893 893 ARG CA C 893 55.528 55.528 55.726 -0.198 19955 10789 1 14 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.363 -0.322 19955 10790 1 14 . 1 1 893 893 ARG H H 893 8.120 8.120 8.577 -0.457 19955 10791 1 14 . 1 1 894 894 ILE N N 894 122.659 122.659 126.915 -4.256 19955 10792 1 14 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.318 -0.255 19955 10793 1 14 . 1 1 894 894 ILE C C 894 175.789 175.789 174.500 1.289 19955 10794 1 14 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.170 0.096 19955 10795 1 14 . 1 1 894 894 ILE CB C 894 43.427 43.427 41.555 1.872 19955 10796 1 14 . 1 1 894 894 ILE H H 894 8.586 8.586 9.037 -0.451 19955 10797 1 14 . 1 1 895 895 THR N N 895 124.709 124.709 121.208 3.501 19955 10798 1 14 . 1 1 895 895 THR HA H 895 4.441 4.441 4.876 -0.435 19955 10799 1 14 . 1 1 895 895 THR C C 895 174.124 174.124 174.153 -0.029 19955 10800 1 14 . 1 1 895 895 THR CA C 895 62.837 62.837 61.584 1.253 19955 10801 1 14 . 1 1 895 895 THR CB C 895 69.246 69.246 69.726 -0.480 19955 10802 1 14 . 1 1 895 895 THR H H 895 9.078 9.078 8.574 0.504 19955 10803 1 14 . 1 1 896 896 LEU N N 896 122.648 122.648 127.923 -5.275 19955 10804 1 14 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.340 0.049 19955 10805 1 14 . 1 1 896 896 LEU C C 896 174.836 174.836 176.195 -1.359 19955 10806 1 14 . 1 1 896 896 LEU H H 896 8.583 8.583 8.163 0.420 19955 10807 1 14 . 1 1 897 897 LEU N N 897 124.502 124.502 124.694 -0.192 19955 10808 1 14 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.506 -0.174 19955 10809 1 14 . 1 1 897 897 LEU C C 897 176.645 176.645 177.153 -0.508 19955 10810 1 14 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.780 0.446 19955 10811 1 14 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.560 -1.229 19955 10812 1 14 . 1 1 897 897 LEU H H 897 8.984 8.984 8.601 0.383 19955 10813 1 14 . 1 1 898 898 ARG N N 898 108.422 108.422 116.786 -8.364 19955 10814 1 14 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.665 -0.223 19955 10815 1 14 . 1 1 898 898 ARG C C 898 173.645 173.645 173.806 -0.161 19955 10816 1 14 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.354 -0.113 19955 10817 1 14 . 1 1 898 898 ARG CB C 898 31.609 31.609 33.642 -2.034 19955 10818 1 14 . 1 1 898 898 ARG H H 898 7.413 7.413 7.705 -0.292 19955 10819 1 14 . 1 1 899 899 GLN N N 899 124.503 124.503 124.089 0.414 19955 10820 1 14 . 1 1 899 899 GLN HA H 899 4.192 4.192 3.904 0.288 19955 10821 1 14 . 1 1 899 899 GLN C C 899 175.142 175.142 175.530 -0.388 19955 10822 1 14 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.143 1.153 19955 10823 1 14 . 1 1 899 899 GLN CB C 899 28.489 28.489 28.944 -0.455 19955 10824 1 14 . 1 1 899 899 GLN H H 899 9.301 9.301 8.771 0.530 19955 10825 1 14 . 1 1 900 900 VAL N N 900 129.109 129.109 126.384 2.725 19955 10826 1 14 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.800 -0.134 19955 10827 1 14 . 1 1 900 900 VAL C C 900 175.298 175.298 176.472 -1.174 19955 10828 1 14 . 1 1 900 900 VAL CA C 900 64.773 64.773 64.559 0.214 19955 10829 1 14 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.103 0.718 19955 10830 1 14 . 1 1 900 900 VAL H H 900 8.475 8.475 8.529 -0.054 19955 10831 1 14 . 1 1 901 901 ASP N N 901 118.573 118.573 114.912 3.661 19955 10832 1 14 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.781 -0.385 19955 10833 1 14 . 1 1 901 901 ASP C C 901 175.386 175.386 176.443 -1.057 19955 10834 1 14 . 1 1 901 901 ASP CA C 901 53.300 53.300 52.824 0.476 19955 10835 1 14 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.543 -2.380 19955 10836 1 14 . 1 1 901 901 ASP H H 901 8.038 8.038 7.660 0.378 19955 10837 1 14 . 1 1 902 902 GLU N N 902 114.492 114.492 120.243 -5.751 19955 10838 1 14 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.095 -0.263 19955 10839 1 14 . 1 1 902 902 GLU C C 902 175.973 175.973 176.203 -0.230 19955 10840 1 14 . 1 1 902 902 GLU CA C 902 59.095 59.095 59.040 0.055 19955 10841 1 14 . 1 1 902 902 GLU CB C 902 29.507 29.507 29.554 -0.047 19955 10842 1 14 . 1 1 902 902 GLU H H 902 8.784 8.784 8.589 0.195 19955 10843 1 14 . 1 1 903 903 ASN N N 903 113.835 113.835 115.676 -1.841 19955 10844 1 14 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.839 0.025 19955 10845 1 14 . 1 1 903 903 ASN C C 903 175.238 175.238 173.251 1.987 19955 10846 1 14 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.708 1.092 19955 10847 1 14 . 1 1 903 903 ASN CB C 903 42.210 42.210 38.672 3.538 19955 10848 1 14 . 1 1 903 903 ASN H H 903 8.763 8.763 8.383 0.380 19955 10849 1 14 . 1 1 904 904 TRP N N 904 121.517 121.517 118.970 2.547 19955 10850 1 14 . 1 1 904 904 TRP HA H 904 4.950 4.950 5.038 -0.088 19955 10851 1 14 . 1 1 904 904 TRP C C 904 175.223 175.223 174.758 0.465 19955 10852 1 14 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.952 0.227 19955 10853 1 14 . 1 1 904 904 TRP CB C 904 31.286 31.286 33.594 -2.308 19955 10854 1 14 . 1 1 904 904 TRP H H 904 8.141 8.141 7.772 0.369 19955 10855 1 14 . 1 1 905 905 TYR N N 905 121.365 121.365 120.341 1.024 19955 10856 1 14 . 1 1 905 905 TYR HA H 905 4.916 4.916 4.801 0.115 19955 10857 1 14 . 1 1 905 905 TYR C C 905 173.702 173.702 173.378 0.324 19955 10858 1 14 . 1 1 905 905 TYR CA C 905 56.460 56.460 57.390 -0.930 19955 10859 1 14 . 1 1 905 905 TYR CB C 905 43.401 43.401 43.538 -0.137 19955 10860 1 14 . 1 1 905 905 TYR H H 905 8.550 8.550 8.574 -0.024 19955 10861 1 14 . 1 1 906 906 GLU N N 906 117.356 117.356 124.059 -6.703 19955 10862 1 14 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.824 0.061 19955 10863 1 14 . 1 1 906 906 GLU C C 906 176.159 176.159 174.969 1.190 19955 10864 1 14 . 1 1 906 906 GLU CA C 906 54.795 54.795 54.462 0.333 19955 10865 1 14 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.173 -0.583 19955 10866 1 14 . 1 1 906 906 GLU H H 906 8.707 8.707 8.932 -0.225 19955 10867 1 14 . 1 1 907 907 GLY N N 907 114.506 114.506 112.019 2.487 19955 10868 1 14 . 1 1 907 907 GLY C C 907 169.408 169.408 171.739 -2.331 19955 10869 1 14 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.369 0.365 19955 10870 1 14 . 1 1 907 907 GLY H H 907 9.334 9.334 8.597 0.737 19955 10871 1 14 . 1 1 908 908 ARG N N 908 114.660 114.660 117.163 -2.503 19955 10872 1 14 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.345 0.032 19955 10873 1 14 . 1 1 908 908 ARG C C 908 173.981 173.981 174.968 -0.987 19955 10874 1 14 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.489 -0.212 19955 10875 1 14 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.049 0.540 19955 10876 1 14 . 1 1 908 908 ARG H H 908 8.694 8.694 8.511 0.183 19955 10877 1 14 . 1 1 909 909 ILE N N 909 124.579 124.579 122.247 2.332 19955 10878 1 14 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.510 0.409 19955 10879 1 14 . 1 1 909 909 ILE C C 909 175.024 175.024 174.912 0.112 19955 10880 1 14 . 1 1 909 909 ILE CA C 909 56.699 56.699 59.552 -2.853 19955 10881 1 14 . 1 1 909 909 ILE CB C 909 35.387 35.387 38.229 -2.842 19955 10882 1 14 . 1 1 909 909 ILE H H 909 7.757 7.757 8.194 -0.437 19955 10883 1 14 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.309 0.320 19955 10884 1 14 . 1 1 910 910 PRO C C 910 176.353 176.353 177.845 -1.492 19955 10885 1 14 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.004 -11.206 19955 10886 1 14 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.733 -1.325 19955 10887 1 14 . 1 1 911 911 GLY N N 911 118.118 118.118 110.945 7.173 19955 10888 1 14 . 1 1 911 911 GLY C C 911 173.987 173.987 174.555 -0.568 19955 10889 1 14 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.090 0.242 19955 10890 1 14 . 1 1 911 911 GLY H H 911 7.869 7.869 8.778 -0.909 19955 10891 1 14 . 1 1 912 912 THR N N 912 109.041 109.041 110.941 -1.900 19955 10892 1 14 . 1 1 912 912 THR HA H 912 4.469 4.469 3.843 0.626 19955 10893 1 14 . 1 1 912 912 THR C C 912 174.144 174.144 174.187 -0.043 19955 10894 1 14 . 1 1 912 912 THR CA C 912 60.194 60.194 62.875 -2.681 19955 10895 1 14 . 1 1 912 912 THR CB C 912 72.812 72.812 67.542 5.270 19955 10896 1 14 . 1 1 912 912 THR H H 912 7.743 7.743 8.120 -0.377 19955 10897 1 14 . 1 1 913 913 SER N N 913 126.292 126.292 117.196 9.096 19955 10898 1 14 . 1 1 913 913 SER HA H 913 4.671 4.671 4.223 0.448 19955 10899 1 14 . 1 1 913 913 SER C C 913 174.781 174.781 174.531 0.250 19955 10900 1 14 . 1 1 913 913 SER CA C 913 57.411 57.411 60.990 -3.579 19955 10901 1 14 . 1 1 913 913 SER CB C 913 63.258 63.258 63.746 -0.488 19955 10902 1 14 . 1 1 913 913 SER H H 913 7.896 7.896 8.169 -0.273 19955 10903 1 14 . 1 1 914 914 ARG N N 914 124.284 124.284 117.344 6.940 19955 10904 1 14 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.579 -0.326 19955 10905 1 14 . 1 1 914 914 ARG C C 914 174.712 174.712 173.947 0.765 19955 10906 1 14 . 1 1 914 914 ARG CA C 914 56.960 56.960 55.959 1.001 19955 10907 1 14 . 1 1 914 914 ARG CB C 914 30.694 30.694 32.871 -2.177 19955 10908 1 14 . 1 1 914 914 ARG H H 914 8.631 8.631 7.963 0.668 19955 10909 1 14 . 1 1 915 915 GLN N N 915 124.297 124.297 123.328 0.969 19955 10910 1 14 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.351 0.030 19955 10911 1 14 . 1 1 915 915 GLN C C 915 174.377 174.377 174.274 0.103 19955 10912 1 14 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.330 1.236 19955 10913 1 14 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.639 -1.633 19955 10914 1 14 . 1 1 915 915 GLN H H 915 8.054 8.054 8.510 -0.456 19955 10915 1 14 . 1 1 916 916 GLY N N 916 112.028 112.028 109.442 2.586 19955 10916 1 14 . 1 1 916 916 GLY C C 916 172.185 172.185 171.727 0.458 19955 10917 1 14 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.822 -0.575 19955 10918 1 14 . 1 1 916 916 GLY H H 916 8.818 8.818 8.841 -0.023 19955 10919 1 14 . 1 1 917 917 ILE N N 917 113.634 113.634 115.394 -1.760 19955 10920 1 14 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.945 1.083 19955 10921 1 14 . 1 1 917 917 ILE C C 917 176.584 176.584 173.941 2.643 19955 10922 1 14 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.360 1.619 19955 10923 1 14 . 1 1 917 917 ILE CB C 917 41.225 41.225 41.825 -0.601 19955 10924 1 14 . 1 1 917 917 ILE H H 917 8.714 8.714 7.894 0.820 19955 10925 1 14 . 1 1 918 918 PHE N N 918 115.806 115.806 115.801 0.005 19955 10926 1 14 . 1 1 918 918 PHE C C 918 170.959 170.959 172.256 -1.297 19955 10927 1 14 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.759 -0.140 19955 10928 1 14 . 1 1 918 918 PHE CB C 918 38.622 38.622 38.548 0.074 19955 10929 1 14 . 1 1 918 918 PHE H H 918 8.573 8.573 7.675 0.898 19955 10930 1 14 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.118 -0.018 19955 10931 1 14 . 1 1 919 919 PRO C C 919 178.655 178.655 177.718 0.937 19955 10932 1 14 . 1 1 919 919 PRO CA C 919 60.998 60.998 62.143 -1.145 19955 10933 1 14 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.857 -0.647 19955 10934 1 14 . 1 1 920 920 ILE N N 920 123.677 123.677 121.038 2.639 19955 10935 1 14 . 1 1 920 920 ILE HA H 920 3.691 3.691 4.012 -0.321 19955 10936 1 14 . 1 1 920 920 ILE C C 920 176.798 176.798 177.611 -0.813 19955 10937 1 14 . 1 1 920 920 ILE CA C 920 63.373 63.373 63.614 -0.241 19955 10938 1 14 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.518 1.333 19955 10939 1 14 . 1 1 920 920 ILE H H 920 7.949 7.949 7.891 0.058 19955 10940 1 14 . 1 1 921 921 THR N N 921 106.993 106.993 111.428 -4.435 19955 10941 1 14 . 1 1 921 921 THR HA H 921 4.294 4.294 4.006 0.288 19955 10942 1 14 . 1 1 921 921 THR C C 921 175.639 175.639 174.634 1.005 19955 10943 1 14 . 1 1 921 921 THR CA C 921 62.983 62.983 64.322 -1.339 19955 10944 1 14 . 1 1 921 921 THR CB C 921 69.104 69.104 68.221 0.883 19955 10945 1 14 . 1 1 921 921 THR H H 921 7.500 7.500 8.089 -0.589 19955 10946 1 14 . 1 1 922 922 TYR N N 922 118.600 118.600 120.108 -1.508 19955 10947 1 14 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.829 -0.189 19955 10948 1 14 . 1 1 922 922 TYR C C 922 175.481 175.481 174.499 0.982 19955 10949 1 14 . 1 1 922 922 TYR CA C 922 59.448 59.448 56.692 2.756 19955 10950 1 14 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.906 -0.306 19955 10951 1 14 . 1 1 922 922 TYR H H 922 7.836 7.836 7.539 0.297 19955 10952 1 14 . 1 1 923 923 VAL N N 923 109.058 109.058 113.639 -4.581 19955 10953 1 14 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.642 0.317 19955 10954 1 14 . 1 1 923 923 VAL C C 923 172.905 172.905 174.400 -1.495 19955 10955 1 14 . 1 1 923 923 VAL CA C 923 58.490 58.490 59.808 -1.318 19955 10956 1 14 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.489 -0.202 19955 10957 1 14 . 1 1 923 923 VAL H H 923 7.701 7.701 7.397 0.304 19955 10958 1 14 . 1 1 924 924 ASP N N 924 120.115 120.115 123.154 -3.039 19955 10959 1 14 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.947 -0.013 19955 10960 1 14 . 1 1 924 924 ASP C C 924 175.863 175.863 175.034 0.829 19955 10961 1 14 . 1 1 924 924 ASP CA C 924 52.934 52.934 52.335 0.599 19955 10962 1 14 . 1 1 924 924 ASP CB C 924 42.263 42.263 43.908 -1.645 19955 10963 1 14 . 1 1 924 924 ASP H H 924 8.658 8.658 8.242 0.416 19955 10964 1 14 . 1 1 925 925 VAL N N 925 125.090 125.090 125.300 -0.210 19955 10965 1 14 . 1 1 925 925 VAL HA H 925 3.679 3.679 4.094 -0.415 19955 10966 1 14 . 1 1 925 925 VAL C C 925 175.620 175.620 175.927 -0.307 19955 10967 1 14 . 1 1 925 925 VAL CA C 925 64.215 64.215 61.228 2.987 19955 10968 1 14 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.260 0.461 19955 10969 1 14 . 1 1 925 925 VAL H H 925 8.911 8.911 8.660 0.251 19955 10970 1 14 . 1 1 926 926 ILE N N 926 129.390 129.390 127.249 2.141 19955 10971 1 14 . 1 1 926 926 ILE HA H 926 4.037 4.037 3.986 0.051 19955 10972 1 14 . 1 1 926 926 ILE C C 926 175.683 175.683 176.578 -0.895 19955 10973 1 14 . 1 1 926 926 ILE CA C 926 61.578 61.578 62.957 -1.379 19955 10974 1 14 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.075 0.472 19955 10975 1 14 . 1 1 926 926 ILE H H 926 8.519 8.519 8.601 -0.082 19955 10976 1 14 . 1 1 927 927 LYS N N 927 122.060 122.060 119.134 2.926 19955 10977 1 14 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.558 0.054 19955 10978 1 14 . 1 1 927 927 LYS C C 927 175.204 175.204 175.000 0.204 19955 10979 1 14 . 1 1 927 927 LYS CA C 927 55.597 55.597 54.896 0.701 19955 10980 1 14 . 1 1 927 927 LYS CB C 927 35.633 35.633 35.054 0.579 19955 10981 1 14 . 1 1 927 927 LYS H H 927 8.017 8.017 7.689 0.328 19955 10982 1 14 . 1 1 928 928 ARG N N 928 126.441 126.441 121.927 4.514 19955 10983 1 14 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.549 -0.122 19955 10984 1 14 . 1 1 928 928 ARG C C 928 173.959 173.959 175.010 -1.051 19955 10985 1 14 . 1 1 928 928 ARG CA C 928 55.488 55.488 54.444 1.044 19955 10986 1 14 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.194 0.519 19955 10987 1 14 . 1 1 928 928 ARG H H 928 8.729 8.729 8.547 0.182 19955 10988 1 14 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.642 -0.129 19955 10989 1 14 . 1 1 929 929 PRO CA C 929 62.718 62.718 62.723 -0.005 19955 10990 1 14 . 1 1 929 929 PRO CB C 929 31.616 31.616 30.042 1.574 19955 10991 1 15 . 1 1 790 790 MET HA H 790 4.396 4.396 4.217 0.179 19955 10992 1 15 . 1 1 790 790 MET CA C 790 55.378 55.378 57.211 -1.833 19955 10993 1 15 . 1 1 790 790 MET CB C 790 32.960 32.960 33.220 -0.260 19955 10994 1 15 . 1 1 791 791 SER N N 791 118.373 118.373 113.355 5.018 19955 10995 1 15 . 1 1 791 791 SER HA H 791 4.362 4.362 4.605 -0.243 19955 10996 1 15 . 1 1 791 791 SER C C 791 175.043 175.043 173.382 1.661 19955 10997 1 15 . 1 1 791 791 SER CA C 791 58.532 58.532 57.314 1.218 19955 10998 1 15 . 1 1 791 791 SER CB C 791 63.749 63.749 65.372 -1.623 19955 10999 1 15 . 1 1 791 791 SER H H 791 8.657 8.657 7.704 0.953 19955 11000 1 15 . 1 1 792 792 GLY N N 792 111.254 111.254 110.435 0.819 19955 11001 1 15 . 1 1 792 792 GLY C C 792 174.362 174.362 173.785 0.577 19955 11002 1 15 . 1 1 792 792 GLY CA C 792 45.539 45.539 44.934 0.606 19955 11003 1 15 . 1 1 792 792 GLY H H 792 8.560 8.560 8.523 0.037 19955 11004 1 15 . 1 1 793 793 SER N N 793 115.369 115.369 119.059 -3.690 19955 11005 1 15 . 1 1 793 793 SER HA H 793 4.409 4.409 4.705 -0.296 19955 11006 1 15 . 1 1 793 793 SER C C 793 174.396 174.396 175.109 -0.713 19955 11007 1 15 . 1 1 793 793 SER CA C 793 58.485 58.485 57.325 1.160 19955 11008 1 15 . 1 1 793 793 SER CB C 793 63.845 63.845 64.992 -1.147 19955 11009 1 15 . 1 1 793 793 SER H H 793 8.102 8.102 8.178 -0.076 19955 11010 1 15 . 1 1 794 794 GLU N N 794 122.660 122.660 126.205 -3.545 19955 11011 1 15 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.571 -0.361 19955 11012 1 15 . 1 1 794 794 GLU C C 794 175.970 175.970 176.198 -0.228 19955 11013 1 15 . 1 1 794 794 GLU CA C 794 56.849 56.849 56.196 0.653 19955 11014 1 15 . 1 1 794 794 GLU CB C 794 30.261 30.261 30.674 -0.413 19955 11015 1 15 . 1 1 794 794 GLU H H 794 8.565 8.565 8.749 -0.184 19955 11016 1 15 . 1 1 795 795 MET N N 795 119.544 119.544 118.383 1.161 19955 11017 1 15 . 1 1 795 795 MET HA H 795 4.653 4.653 5.315 -0.662 19955 11018 1 15 . 1 1 795 795 MET C C 795 175.590 175.590 175.735 -0.145 19955 11019 1 15 . 1 1 795 795 MET CA C 795 55.135 55.135 54.072 1.063 19955 11020 1 15 . 1 1 795 795 MET CB C 795 32.378 32.378 35.942 -3.564 19955 11021 1 15 . 1 1 795 795 MET H H 795 8.156 8.156 8.146 0.010 19955 11022 1 15 . 1 1 796 796 ARG N N 796 122.177 122.177 121.556 0.621 19955 11023 1 15 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.991 -0.080 19955 11024 1 15 . 1 1 796 796 ARG C C 796 173.378 173.378 173.830 -0.452 19955 11025 1 15 . 1 1 796 796 ARG CA C 796 52.935 52.935 52.927 0.008 19955 11026 1 15 . 1 1 796 796 ARG CB C 796 32.172 32.172 32.687 -0.515 19955 11027 1 15 . 1 1 796 796 ARG H H 796 8.358 8.358 8.728 -0.370 19955 11028 1 15 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.381 0.315 19955 11029 1 15 . 1 1 797 797 PRO C C 797 175.805 175.805 175.100 0.705 19955 11030 1 15 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.278 -0.121 19955 11031 1 15 . 1 1 797 797 PRO CB C 797 32.377 32.377 32.793 -0.416 19955 11032 1 15 . 1 1 798 798 ALA N N 798 123.383 123.383 124.158 -0.775 19955 11033 1 15 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.815 -0.116 19955 11034 1 15 . 1 1 798 798 ALA C C 798 173.534 173.534 174.955 -1.421 19955 11035 1 15 . 1 1 798 798 ALA CA C 798 50.823 50.823 50.446 0.377 19955 11036 1 15 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.253 0.469 19955 11037 1 15 . 1 1 798 798 ALA H H 798 8.820 8.820 8.576 0.244 19955 11038 1 15 . 1 1 799 799 ARG N N 799 118.968 118.968 121.156 -2.188 19955 11039 1 15 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.719 0.622 19955 11040 1 15 . 1 1 799 799 ARG C C 799 176.215 176.215 175.074 1.141 19955 11041 1 15 . 1 1 799 799 ARG CA C 799 53.122 53.122 53.963 -0.841 19955 11042 1 15 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.893 0.546 19955 11043 1 15 . 1 1 799 799 ARG H H 799 8.803 8.803 8.063 0.740 19955 11044 1 15 . 1 1 800 800 ALA N N 800 128.073 128.073 129.127 -1.054 19955 11045 1 15 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.583 -0.046 19955 11046 1 15 . 1 1 800 800 ALA C C 800 178.146 178.146 177.285 0.861 19955 11047 1 15 . 1 1 800 800 ALA CA C 800 52.208 52.208 52.200 0.008 19955 11048 1 15 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.495 -0.841 19955 11049 1 15 . 1 1 800 800 ALA H H 800 9.037 9.037 8.722 0.315 19955 11050 1 15 . 1 1 801 801 LYS N N 801 127.334 127.334 124.314 3.020 19955 11051 1 15 . 1 1 801 801 LYS HA H 801 3.758 3.758 4.406 -0.648 19955 11052 1 15 . 1 1 801 801 LYS C C 801 174.213 174.213 176.447 -2.234 19955 11053 1 15 . 1 1 801 801 LYS CA C 801 57.344 57.344 57.892 -0.548 19955 11054 1 15 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.547 0.100 19955 11055 1 15 . 1 1 801 801 LYS H H 801 9.291 9.291 9.162 0.129 19955 11056 1 15 . 1 1 802 802 PHE N N 802 111.696 111.696 117.586 -5.890 19955 11057 1 15 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.643 0.098 19955 11058 1 15 . 1 1 802 802 PHE C C 802 173.408 173.408 173.698 -0.290 19955 11059 1 15 . 1 1 802 802 PHE CA C 802 53.369 53.369 57.047 -3.678 19955 11060 1 15 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.956 0.286 19955 11061 1 15 . 1 1 802 802 PHE H H 802 7.069 7.069 7.728 -0.659 19955 11062 1 15 . 1 1 803 803 ASP N N 803 117.498 117.498 120.065 -2.567 19955 11063 1 15 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.919 -0.395 19955 11064 1 15 . 1 1 803 803 ASP C C 803 175.782 175.782 174.795 0.987 19955 11065 1 15 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.144 1.582 19955 11066 1 15 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.377 -0.223 19955 11067 1 15 . 1 1 803 803 ASP H H 803 8.339 8.339 8.233 0.106 19955 11068 1 15 . 1 1 804 804 PHE N N 804 123.264 123.264 122.581 0.683 19955 11069 1 15 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.865 0.127 19955 11070 1 15 . 1 1 804 804 PHE C C 804 173.750 173.750 173.531 0.219 19955 11071 1 15 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.591 -0.370 19955 11072 1 15 . 1 1 804 804 PHE CB C 804 42.132 42.132 43.204 -1.072 19955 11073 1 15 . 1 1 804 804 PHE H H 804 9.223 9.223 9.168 0.055 19955 11074 1 15 . 1 1 805 805 LYS N N 805 129.548 129.548 126.885 2.663 19955 11075 1 15 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.331 -0.210 19955 11076 1 15 . 1 1 805 805 LYS C C 805 174.042 174.042 174.153 -0.111 19955 11077 1 15 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.236 0.132 19955 11078 1 15 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.281 -1.500 19955 11079 1 15 . 1 1 805 805 LYS H H 805 8.125 8.125 8.033 0.092 19955 11080 1 15 . 1 1 806 806 ALA N N 806 127.231 127.231 126.511 0.720 19955 11081 1 15 . 1 1 806 806 ALA HA H 806 3.882 3.882 3.929 -0.047 19955 11082 1 15 . 1 1 806 806 ALA C C 806 178.066 178.066 176.614 1.452 19955 11083 1 15 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.126 -0.528 19955 11084 1 15 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.205 1.300 19955 11085 1 15 . 1 1 806 806 ALA H H 806 7.291 7.291 8.179 -0.888 19955 11086 1 15 . 1 1 807 807 GLN N N 807 121.482 121.482 120.987 0.495 19955 11087 1 15 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.388 -0.062 19955 11088 1 15 . 1 1 807 807 GLN C C 807 175.927 175.927 176.120 -0.193 19955 11089 1 15 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.169 0.037 19955 11090 1 15 . 1 1 807 807 GLN CB C 807 30.942 30.942 30.290 0.652 19955 11091 1 15 . 1 1 807 807 GLN H H 807 9.375 9.375 9.071 0.304 19955 11092 1 15 . 1 1 808 808 THR N N 808 108.842 108.842 109.965 -1.123 19955 11093 1 15 . 1 1 808 808 THR HA H 808 4.661 4.661 4.530 0.131 19955 11094 1 15 . 1 1 808 808 THR C C 808 175.262 175.262 174.216 1.046 19955 11095 1 15 . 1 1 808 808 THR CA C 808 59.313 59.313 60.147 -0.834 19955 11096 1 15 . 1 1 808 808 THR CB C 808 71.810 71.810 70.905 0.905 19955 11097 1 15 . 1 1 808 808 THR H H 808 7.472 7.472 7.759 -0.287 19955 11098 1 15 . 1 1 809 809 LEU N N 809 119.518 119.518 119.675 -0.157 19955 11099 1 15 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.074 0.126 19955 11100 1 15 . 1 1 809 809 LEU C C 809 177.895 177.895 177.477 0.418 19955 11101 1 15 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.325 -0.238 19955 11102 1 15 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.882 0.019 19955 11103 1 15 . 1 1 809 809 LEU H H 809 8.387 8.387 8.262 0.125 19955 11104 1 15 . 1 1 810 810 LYS N N 810 115.587 115.587 115.636 -0.049 19955 11105 1 15 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.028 0.202 19955 11106 1 15 . 1 1 810 810 LYS C C 810 177.172 177.172 177.239 -0.067 19955 11107 1 15 . 1 1 810 810 LYS CA C 810 56.807 56.807 57.267 -0.461 19955 11108 1 15 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.402 0.657 19955 11109 1 15 . 1 1 810 810 LYS H H 810 7.707 7.707 8.037 -0.330 19955 11110 1 15 . 1 1 811 811 GLU N N 811 119.522 119.522 118.618 0.904 19955 11111 1 15 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.165 0.534 19955 11112 1 15 . 1 1 811 811 GLU C C 811 174.240 174.240 175.583 -1.343 19955 11113 1 15 . 1 1 811 811 GLU CA C 811 55.419 55.419 56.708 -1.289 19955 11114 1 15 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.003 2.351 19955 11115 1 15 . 1 1 811 811 GLU H H 811 7.244 7.244 7.334 -0.090 19955 11116 1 15 . 1 1 812 812 LEU N N 812 126.910 126.910 125.136 1.774 19955 11117 1 15 . 1 1 812 812 LEU C C 812 172.269 172.269 174.851 -2.582 19955 11118 1 15 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.478 -0.967 19955 11119 1 15 . 1 1 812 812 LEU CB C 812 45.092 45.092 43.738 1.354 19955 11120 1 15 . 1 1 812 812 LEU H H 812 9.168 9.168 7.475 1.693 19955 11121 1 15 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.703 -0.266 19955 11122 1 15 . 1 1 813 813 PRO C C 813 176.755 176.755 175.321 1.434 19955 11123 1 15 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.702 -0.156 19955 11124 1 15 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.759 -0.784 19955 11125 1 15 . 1 1 814 814 LEU N N 814 118.726 118.726 121.638 -2.912 19955 11126 1 15 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.861 -0.215 19955 11127 1 15 . 1 1 814 814 LEU C C 814 176.452 176.452 175.286 1.166 19955 11128 1 15 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.836 -0.445 19955 11129 1 15 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.404 0.492 19955 11130 1 15 . 1 1 814 814 LEU H H 814 8.532 8.532 9.105 -0.573 19955 11131 1 15 . 1 1 815 815 GLN N N 815 123.473 123.473 121.592 1.881 19955 11132 1 15 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.623 0.128 19955 11133 1 15 . 1 1 815 815 GLN C C 815 174.820 174.820 174.574 0.246 19955 11134 1 15 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.867 -0.531 19955 11135 1 15 . 1 1 815 815 GLN CB C 815 31.094 31.094 32.065 -0.971 19955 11136 1 15 . 1 1 815 815 GLN H H 815 8.938 8.938 8.775 0.163 19955 11137 1 15 . 1 1 816 816 LYS N N 816 122.982 122.982 125.577 -2.595 19955 11138 1 15 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.759 -0.643 19955 11139 1 15 . 1 1 816 816 LYS C C 816 177.030 177.030 177.262 -0.232 19955 11140 1 15 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.380 0.296 19955 11141 1 15 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.741 0.501 19955 11142 1 15 . 1 1 816 816 LYS H H 816 8.888 8.888 8.898 -0.010 19955 11143 1 15 . 1 1 817 817 GLY N N 817 115.370 115.370 115.784 -0.414 19955 11144 1 15 . 1 1 817 817 GLY C C 817 174.271 174.271 174.534 -0.263 19955 11145 1 15 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.578 0.083 19955 11146 1 15 . 1 1 817 817 GLY H H 817 8.870 8.870 8.605 0.265 19955 11147 1 15 . 1 1 818 818 ASP N N 818 123.102 123.102 122.756 0.346 19955 11148 1 15 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.679 -0.350 19955 11149 1 15 . 1 1 818 818 ASP C C 818 175.076 175.076 176.048 -0.972 19955 11150 1 15 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.373 1.222 19955 11151 1 15 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.969 -0.432 19955 11152 1 15 . 1 1 818 818 ASP H H 818 8.468 8.468 8.163 0.305 19955 11153 1 15 . 1 1 819 819 ILE N N 819 121.053 121.053 124.599 -3.546 19955 11154 1 15 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.507 0.313 19955 11155 1 15 . 1 1 819 819 ILE C C 819 175.630 175.630 175.837 -0.207 19955 11156 1 15 . 1 1 819 819 ILE CA C 819 58.602 58.602 59.143 -0.541 19955 11157 1 15 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.436 -0.895 19955 11158 1 15 . 1 1 819 819 ILE H H 819 8.286 8.286 8.162 0.124 19955 11159 1 15 . 1 1 820 820 VAL N N 820 124.554 124.554 122.446 2.108 19955 11160 1 15 . 1 1 820 820 VAL HA H 820 4.679 4.679 5.184 -0.505 19955 11161 1 15 . 1 1 820 820 VAL C C 820 172.751 172.751 173.860 -1.109 19955 11162 1 15 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.295 -0.434 19955 11163 1 15 . 1 1 820 820 VAL CB C 820 34.372 34.372 34.812 -0.440 19955 11164 1 15 . 1 1 820 820 VAL H H 820 8.717 8.717 8.590 0.127 19955 11165 1 15 . 1 1 821 821 TYR N N 821 120.296 120.296 121.769 -1.473 19955 11166 1 15 . 1 1 821 821 TYR HA H 821 4.803 4.803 5.056 -0.253 19955 11167 1 15 . 1 1 821 821 TYR C C 821 175.760 175.760 176.244 -0.484 19955 11168 1 15 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.579 0.259 19955 11169 1 15 . 1 1 821 821 TYR CB C 821 40.132 40.132 40.358 -0.226 19955 11170 1 15 . 1 1 821 821 TYR H H 821 8.360 8.360 8.648 -0.288 19955 11171 1 15 . 1 1 822 822 ILE N N 822 123.440 123.440 124.767 -1.327 19955 11172 1 15 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.600 -0.735 19955 11173 1 15 . 1 1 822 822 ILE C C 822 176.541 176.541 176.032 0.509 19955 11174 1 15 . 1 1 822 822 ILE CA C 822 62.327 62.327 61.986 0.341 19955 11175 1 15 . 1 1 822 822 ILE CB C 822 39.429 39.429 38.377 1.052 19955 11176 1 15 . 1 1 822 822 ILE H H 822 8.991 8.991 8.510 0.481 19955 11177 1 15 . 1 1 823 823 TYR N N 823 127.197 127.197 126.271 0.926 19955 11178 1 15 . 1 1 823 823 TYR HA H 823 5.068 5.068 5.103 -0.035 19955 11179 1 15 . 1 1 823 823 TYR C C 823 176.327 176.327 174.773 1.554 19955 11180 1 15 . 1 1 823 823 TYR CA C 823 56.331 56.331 55.908 0.423 19955 11181 1 15 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.969 -2.684 19955 11182 1 15 . 1 1 823 823 TYR H H 823 9.699 9.699 8.569 1.130 19955 11183 1 15 . 1 1 824 824 LYS N N 824 113.691 113.691 120.093 -6.402 19955 11184 1 15 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.523 0.141 19955 11185 1 15 . 1 1 824 824 LYS C C 824 174.044 174.044 174.010 0.034 19955 11186 1 15 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.602 -0.301 19955 11187 1 15 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.659 0.445 19955 11188 1 15 . 1 1 824 824 LYS H H 824 7.904 7.904 7.316 0.588 19955 11189 1 15 . 1 1 825 825 GLN N N 825 122.998 122.998 124.788 -1.790 19955 11190 1 15 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.392 0.222 19955 11191 1 15 . 1 1 825 825 GLN C C 825 175.372 175.372 174.784 0.588 19955 11192 1 15 . 1 1 825 825 GLN CA C 825 55.970 55.970 56.309 -0.339 19955 11193 1 15 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.507 -0.493 19955 11194 1 15 . 1 1 825 825 GLN H H 825 9.091 9.091 8.721 0.370 19955 11195 1 15 . 1 1 826 826 ILE N N 826 126.911 126.911 126.759 0.152 19955 11196 1 15 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.377 -0.427 19955 11197 1 15 . 1 1 826 826 ILE C C 826 175.447 175.447 176.426 -0.979 19955 11198 1 15 . 1 1 826 826 ILE CA C 826 62.062 62.062 62.169 -0.107 19955 11199 1 15 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.901 -0.722 19955 11200 1 15 . 1 1 826 826 ILE H H 826 8.356 8.356 8.500 -0.144 19955 11201 1 15 . 1 1 827 827 ASP N N 827 118.575 118.575 117.478 1.097 19955 11202 1 15 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.896 -0.477 19955 11203 1 15 . 1 1 827 827 ASP C C 827 175.673 175.673 175.343 0.330 19955 11204 1 15 . 1 1 827 827 ASP CA C 827 53.255 53.255 53.085 0.170 19955 11205 1 15 . 1 1 827 827 ASP CB C 827 40.120 40.120 43.867 -3.747 19955 11206 1 15 . 1 1 827 827 ASP H H 827 7.952 7.952 8.055 -0.103 19955 11207 1 15 . 1 1 828 828 GLN N N 828 113.633 113.633 119.173 -5.540 19955 11208 1 15 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.132 -0.260 19955 11209 1 15 . 1 1 828 828 GLN C C 828 175.745 175.745 176.847 -1.102 19955 11210 1 15 . 1 1 828 828 GLN CA C 828 58.261 58.261 59.251 -0.990 19955 11211 1 15 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.775 -0.277 19955 11212 1 15 . 1 1 828 828 GLN H H 828 8.468 8.468 8.498 -0.030 19955 11213 1 15 . 1 1 829 829 ASN N N 829 114.412 114.412 113.527 0.885 19955 11214 1 15 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.679 0.063 19955 11215 1 15 . 1 1 829 829 ASN C C 829 175.652 175.652 173.466 2.186 19955 11216 1 15 . 1 1 829 829 ASN CA C 829 53.641 53.641 52.548 1.093 19955 11217 1 15 . 1 1 829 829 ASN CB C 829 41.815 41.815 38.418 3.397 19955 11218 1 15 . 1 1 829 829 ASN H H 829 8.799 8.799 8.255 0.544 19955 11219 1 15 . 1 1 830 830 TRP N N 830 121.661 121.661 118.632 3.029 19955 11220 1 15 . 1 1 830 830 TRP HA H 830 4.810 4.810 4.972 -0.162 19955 11221 1 15 . 1 1 830 830 TRP C C 830 175.077 175.077 175.015 0.062 19955 11222 1 15 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.380 0.910 19955 11223 1 15 . 1 1 830 830 TRP CB C 830 32.570 32.570 32.723 -0.153 19955 11224 1 15 . 1 1 830 830 TRP H H 830 8.033 8.033 7.507 0.526 19955 11225 1 15 . 1 1 831 831 TYR N N 831 120.163 120.163 116.676 3.487 19955 11226 1 15 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.939 0.106 19955 11227 1 15 . 1 1 831 831 TYR C C 831 173.672 173.672 172.693 0.979 19955 11228 1 15 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.273 0.099 19955 11229 1 15 . 1 1 831 831 TYR CB C 831 42.726 42.726 41.004 1.722 19955 11230 1 15 . 1 1 831 831 TYR H H 831 8.721 8.721 8.446 0.275 19955 11231 1 15 . 1 1 832 832 GLU N N 832 117.935 117.935 120.398 -2.463 19955 11232 1 15 . 1 1 832 832 GLU HA H 832 4.937 4.937 5.021 -0.084 19955 11233 1 15 . 1 1 832 832 GLU C C 832 176.121 176.121 175.360 0.761 19955 11234 1 15 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.019 0.385 19955 11235 1 15 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.762 0.193 19955 11236 1 15 . 1 1 832 832 GLU H H 832 8.696 8.696 8.406 0.290 19955 11237 1 15 . 1 1 833 833 GLY N N 833 115.171 115.171 111.671 3.500 19955 11238 1 15 . 1 1 833 833 GLY C C 833 168.962 168.962 172.070 -3.108 19955 11239 1 15 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.612 1.011 19955 11240 1 15 . 1 1 833 833 GLY H H 833 9.063 9.063 8.462 0.601 19955 11241 1 15 . 1 1 834 834 GLU N N 834 117.849 117.849 121.212 -3.363 19955 11242 1 15 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.669 0.020 19955 11243 1 15 . 1 1 834 834 GLU C C 834 175.077 175.077 175.481 -0.404 19955 11244 1 15 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.611 -0.645 19955 11245 1 15 . 1 1 834 834 GLU CB C 834 35.044 35.044 32.844 2.200 19955 11246 1 15 . 1 1 834 834 GLU H H 834 8.708 8.708 9.124 -0.416 19955 11247 1 15 . 1 1 835 835 HIS N N 835 120.973 120.973 125.149 -4.176 19955 11248 1 15 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.210 -0.376 19955 11249 1 15 . 1 1 835 835 HIS C C 835 174.509 174.509 175.107 -0.598 19955 11250 1 15 . 1 1 835 835 HIS CA C 835 56.249 56.249 54.881 1.368 19955 11251 1 15 . 1 1 835 835 HIS CB C 835 33.211 33.211 33.139 0.072 19955 11252 1 15 . 1 1 835 835 HIS H H 835 8.799 8.799 9.590 -0.791 19955 11253 1 15 . 1 1 836 836 HIS N N 836 125.728 125.728 125.259 0.469 19955 11254 1 15 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.021 0.145 19955 11255 1 15 . 1 1 836 836 HIS C C 836 175.012 175.012 174.510 0.502 19955 11256 1 15 . 1 1 836 836 HIS CA C 836 55.689 55.689 57.292 -1.603 19955 11257 1 15 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.944 -0.950 19955 11258 1 15 . 1 1 836 836 HIS H H 836 9.163 9.163 9.254 -0.091 19955 11259 1 15 . 1 1 837 837 GLY N N 837 104.909 104.909 102.738 2.171 19955 11260 1 15 . 1 1 837 837 GLY C C 837 173.235 173.235 174.045 -0.810 19955 11261 1 15 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.175 0.479 19955 11262 1 15 . 1 1 837 837 GLY H H 837 9.070 9.070 8.613 0.457 19955 11263 1 15 . 1 1 838 838 ARG N N 838 122.925 122.925 118.600 4.325 19955 11264 1 15 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.718 -0.125 19955 11265 1 15 . 1 1 838 838 ARG C C 838 173.682 173.682 174.475 -0.793 19955 11266 1 15 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.131 0.750 19955 11267 1 15 . 1 1 838 838 ARG CB C 838 32.058 32.058 34.580 -2.522 19955 11268 1 15 . 1 1 838 838 ARG H H 838 7.814 7.814 8.298 -0.484 19955 11269 1 15 . 1 1 839 839 VAL N N 839 123.572 123.572 120.455 3.117 19955 11270 1 15 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.097 0.037 19955 11271 1 15 . 1 1 839 839 VAL C C 839 177.296 177.296 175.789 1.507 19955 11272 1 15 . 1 1 839 839 VAL CA C 839 60.200 60.200 61.636 -1.436 19955 11273 1 15 . 1 1 839 839 VAL CB C 839 33.994 33.994 33.444 0.550 19955 11274 1 15 . 1 1 839 839 VAL H H 839 8.360 8.360 8.502 -0.142 19955 11275 1 15 . 1 1 840 840 GLY N N 840 114.006 114.006 114.528 -0.522 19955 11276 1 15 . 1 1 840 840 GLY C C 840 171.246 171.246 171.254 -0.008 19955 11277 1 15 . 1 1 840 840 GLY CA C 840 45.896 45.896 44.822 1.074 19955 11278 1 15 . 1 1 840 840 GLY H H 840 8.951 8.951 8.517 0.434 19955 11279 1 15 . 1 1 841 841 ILE N N 841 112.496 112.496 114.598 -2.102 19955 11280 1 15 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.731 1.150 19955 11281 1 15 . 1 1 841 841 ILE C C 841 176.120 176.120 172.959 3.161 19955 11282 1 15 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.036 1.331 19955 11283 1 15 . 1 1 841 841 ILE CB C 841 40.917 40.917 40.732 0.185 19955 11284 1 15 . 1 1 841 841 ILE H H 841 8.434 8.434 7.471 0.963 19955 11285 1 15 . 1 1 842 842 PHE N N 842 116.289 116.289 118.616 -2.327 19955 11286 1 15 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.652 0.319 19955 11287 1 15 . 1 1 842 842 PHE C C 842 171.777 171.777 172.826 -1.049 19955 11288 1 15 . 1 1 842 842 PHE CA C 842 54.265 54.265 55.053 -0.788 19955 11289 1 15 . 1 1 842 842 PHE CB C 842 37.515 37.515 41.370 -3.854 19955 11290 1 15 . 1 1 842 842 PHE H H 842 8.408 8.408 7.728 0.680 19955 11291 1 15 . 1 1 843 843 PRO HA H 843 3.934 3.934 5.035 -1.101 19955 11292 1 15 . 1 1 843 843 PRO C C 843 178.228 178.228 178.284 -0.056 19955 11293 1 15 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.765 -1.152 19955 11294 1 15 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.908 -0.513 19955 11295 1 15 . 1 1 844 844 ARG N N 844 122.291 122.291 126.356 -4.065 19955 11296 1 15 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.108 -0.164 19955 11297 1 15 . 1 1 844 844 ARG C C 844 178.171 178.171 177.914 0.257 19955 11298 1 15 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.565 -0.947 19955 11299 1 15 . 1 1 844 844 ARG CB C 844 30.297 30.297 29.986 0.311 19955 11300 1 15 . 1 1 844 844 ARG H H 844 7.906 7.906 9.002 -1.096 19955 11301 1 15 . 1 1 845 845 THR N N 845 105.068 105.068 110.150 -5.082 19955 11302 1 15 . 1 1 845 845 THR HA H 845 4.159 4.159 4.260 -0.101 19955 11303 1 15 . 1 1 845 845 THR C C 845 175.363 175.363 175.264 0.099 19955 11304 1 15 . 1 1 845 845 THR CA C 845 63.035 63.035 64.106 -1.071 19955 11305 1 15 . 1 1 845 845 THR CB C 845 69.022 69.022 68.707 0.315 19955 11306 1 15 . 1 1 845 845 THR H H 845 7.907 7.907 8.315 -0.407 19955 11307 1 15 . 1 1 846 846 TYR N N 846 118.977 118.977 120.080 -1.103 19955 11308 1 15 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.716 -0.181 19955 11309 1 15 . 1 1 846 846 TYR C C 846 174.917 174.917 174.447 0.470 19955 11310 1 15 . 1 1 846 846 TYR CA C 846 58.751 58.751 59.033 -0.282 19955 11311 1 15 . 1 1 846 846 TYR CB C 846 38.055 38.055 40.286 -2.231 19955 11312 1 15 . 1 1 846 846 TYR H H 846 7.611 7.611 8.594 -0.983 19955 11313 1 15 . 1 1 847 847 ILE N N 847 113.230 113.230 113.098 0.132 19955 11314 1 15 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.276 -0.177 19955 11315 1 15 . 1 1 847 847 ILE C C 847 174.141 174.141 174.154 -0.013 19955 11316 1 15 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.297 -0.843 19955 11317 1 15 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.251 -0.060 19955 11318 1 15 . 1 1 847 847 ILE H H 847 7.390 7.390 7.369 0.021 19955 11319 1 15 . 1 1 848 848 GLU N N 848 121.909 121.909 119.006 2.903 19955 11320 1 15 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.562 -0.014 19955 11321 1 15 . 1 1 848 848 GLU C C 848 175.193 175.193 175.090 0.103 19955 11322 1 15 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.297 -0.633 19955 11323 1 15 . 1 1 848 848 GLU CB C 848 32.624 32.624 33.690 -1.066 19955 11324 1 15 . 1 1 848 848 GLU H H 848 8.786 8.786 8.909 -0.123 19955 11325 1 15 . 1 1 849 849 LEU N N 849 126.431 126.431 124.969 1.462 19955 11326 1 15 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.371 -0.280 19955 11327 1 15 . 1 1 849 849 LEU C C 849 177.019 177.019 175.860 1.159 19955 11328 1 15 . 1 1 849 849 LEU CA C 849 55.667 55.667 53.968 1.699 19955 11329 1 15 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.753 -1.211 19955 11330 1 15 . 1 1 849 849 LEU H H 849 8.730 8.730 8.441 0.289 19955 11331 1 15 . 1 1 850 850 LEU N N 850 123.942 123.942 125.253 -1.311 19955 11332 1 15 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.077 0.485 19955 11333 1 15 . 1 1 850 850 LEU C C 850 174.453 174.453 174.171 0.282 19955 11334 1 15 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.720 -1.915 19955 11335 1 15 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.234 -0.271 19955 11336 1 15 . 1 1 850 850 LEU H H 850 7.846 7.846 8.232 -0.386 19955 11337 1 15 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.427 -0.098 19955 11338 1 15 . 1 1 852 852 PRO C C 852 176.580 176.580 176.505 0.075 19955 11339 1 15 . 1 1 852 852 PRO CA C 852 62.903 62.903 62.717 0.186 19955 11340 1 15 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.100 -0.335 19955 11341 1 15 . 1 1 853 853 ALA N N 853 124.102 124.102 124.955 -0.853 19955 11342 1 15 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.280 -0.040 19955 11343 1 15 . 1 1 853 853 ALA C C 853 177.767 177.767 177.518 0.249 19955 11344 1 15 . 1 1 853 853 ALA CA C 853 52.258 52.258 52.389 -0.131 19955 11345 1 15 . 1 1 853 853 ALA CB C 853 19.516 19.516 19.393 0.123 19955 11346 1 15 . 1 1 853 853 ALA H H 853 8.354 8.354 8.096 0.258 19955 11347 1 15 . 1 1 854 854 GLU N N 854 120.540 120.540 119.672 0.868 19955 11348 1 15 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.130 0.073 19955 11349 1 15 . 1 1 854 854 GLU C C 854 176.402 176.402 176.134 0.268 19955 11350 1 15 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.591 -0.211 19955 11351 1 15 . 1 1 854 854 GLU CB C 854 30.432 30.432 29.349 1.083 19955 11352 1 15 . 1 1 854 854 GLU H H 854 8.348 8.348 8.502 -0.154 19955 11353 1 15 . 1 1 855 855 LYS N N 855 122.717 122.717 120.132 2.585 19955 11354 1 15 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.163 0.052 19955 11355 1 15 . 1 1 855 855 LYS C C 855 176.078 176.078 176.805 -0.727 19955 11356 1 15 . 1 1 855 855 LYS CA C 855 56.018 56.018 56.971 -0.953 19955 11357 1 15 . 1 1 855 855 LYS CB C 855 33.187 33.187 32.556 0.631 19955 11358 1 15 . 1 1 855 855 LYS H H 855 8.305 8.305 8.161 0.144 19955 11359 1 15 . 1 1 856 856 ALA N N 856 125.584 125.584 123.239 2.345 19955 11360 1 15 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.250 -0.009 19955 11361 1 15 . 1 1 856 856 ALA C C 856 177.276 177.276 176.531 0.745 19955 11362 1 15 . 1 1 856 856 ALA CA C 856 52.046 52.046 52.914 -0.868 19955 11363 1 15 . 1 1 856 856 ALA CB C 856 19.294 19.294 19.447 -0.153 19955 11364 1 15 . 1 1 856 856 ALA H H 856 8.219 8.219 7.899 0.320 19955 11365 1 15 . 1 1 857 857 GLN N N 857 121.223 121.223 121.882 -0.659 19955 11366 1 15 . 1 1 857 857 GLN C C 857 173.964 173.964 174.791 -0.827 19955 11367 1 15 . 1 1 857 857 GLN CA C 857 53.490 53.490 54.045 -0.555 19955 11368 1 15 . 1 1 857 857 GLN CB C 857 29.040 29.040 29.643 -0.603 19955 11369 1 15 . 1 1 857 857 GLN H H 857 8.333 8.333 8.473 -0.140 19955 11370 1 15 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.350 -0.012 19955 11371 1 15 . 1 1 858 858 PRO C C 858 176.696 176.696 177.229 -0.533 19955 11372 1 15 . 1 1 858 858 PRO CA C 858 62.910 62.910 63.418 -0.508 19955 11373 1 15 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.234 -0.160 19955 11374 1 15 . 1 1 859 859 LYS N N 859 121.891 121.891 115.574 6.317 19955 11375 1 15 . 1 1 859 859 LYS HA H 859 4.190 4.190 3.885 0.305 19955 11376 1 15 . 1 1 859 859 LYS C C 859 176.382 176.382 176.584 -0.202 19955 11377 1 15 . 1 1 859 859 LYS CA C 859 56.130 56.130 58.317 -2.187 19955 11378 1 15 . 1 1 859 859 LYS CB C 859 33.070 33.070 31.036 2.034 19955 11379 1 15 . 1 1 859 859 LYS H H 859 8.355 8.355 8.208 0.147 19955 11380 1 15 . 1 1 860 860 LYS N N 860 123.002 123.002 120.750 2.252 19955 11381 1 15 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.295 -0.050 19955 11382 1 15 . 1 1 860 860 LYS C C 860 176.131 176.131 177.760 -1.629 19955 11383 1 15 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.157 -0.305 19955 11384 1 15 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.864 0.284 19955 11385 1 15 . 1 1 860 860 LYS H H 860 8.267 8.267 8.125 0.142 19955 11386 1 15 . 1 1 861 861 LEU N N 861 124.576 124.576 122.518 2.058 19955 11387 1 15 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.112 0.244 19955 11388 1 15 . 1 1 861 861 LEU C C 861 177.069 177.069 177.486 -0.417 19955 11389 1 15 . 1 1 861 861 LEU CA C 861 54.795 54.795 56.826 -2.031 19955 11390 1 15 . 1 1 861 861 LEU CB C 861 42.350 42.350 42.020 0.330 19955 11391 1 15 . 1 1 861 861 LEU H H 861 8.316 8.316 8.660 -0.344 19955 11392 1 15 . 1 1 862 862 THR N N 862 117.878 117.878 106.285 11.593 19955 11393 1 15 . 1 1 862 862 THR HA H 862 4.729 4.729 4.669 0.060 19955 11394 1 15 . 1 1 862 862 THR C C 862 172.639 172.639 172.908 -0.269 19955 11395 1 15 . 1 1 862 862 THR CA C 862 59.644 59.644 59.077 0.567 19955 11396 1 15 . 1 1 862 862 THR CB C 862 69.476 69.476 70.901 -1.425 19955 11397 1 15 . 1 1 862 862 THR H H 862 8.162 8.162 7.518 0.644 19955 11398 1 15 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.412 -0.044 19955 11399 1 15 . 1 1 863 863 PRO C C 863 176.753 176.753 176.212 0.541 19955 11400 1 15 . 1 1 863 863 PRO CA C 863 63.192 63.192 63.904 -0.712 19955 11401 1 15 . 1 1 863 863 PRO CB C 863 32.058 32.058 31.977 0.081 19955 11402 1 15 . 1 1 864 864 VAL N N 864 120.359 120.359 118.939 1.420 19955 11403 1 15 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.330 -0.345 19955 11404 1 15 . 1 1 864 864 VAL C C 864 175.964 175.964 174.713 1.251 19955 11405 1 15 . 1 1 864 864 VAL CA C 864 62.342 62.342 61.918 0.424 19955 11406 1 15 . 1 1 864 864 VAL CB C 864 32.521 32.521 33.871 -1.351 19955 11407 1 15 . 1 1 864 864 VAL H H 864 8.102 8.102 7.589 0.513 19955 11408 1 15 . 1 1 865 865 GLN N N 865 124.642 124.642 124.719 -0.077 19955 11409 1 15 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.437 -0.151 19955 11410 1 15 . 1 1 865 865 GLN C C 865 175.443 175.443 174.382 1.061 19955 11411 1 15 . 1 1 865 865 GLN CA C 865 55.595 55.595 55.578 0.017 19955 11412 1 15 . 1 1 865 865 GLN CB C 865 29.739 29.739 31.439 -1.700 19955 11413 1 15 . 1 1 865 865 GLN H H 865 8.333 8.333 8.398 -0.065 19955 11414 1 15 . 1 1 866 866 VAL N N 866 123.436 123.436 124.532 -1.096 19955 11415 1 15 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.343 -0.374 19955 11416 1 15 . 1 1 866 866 VAL C C 866 175.685 175.685 175.690 -0.005 19955 11417 1 15 . 1 1 866 866 VAL CA C 866 62.398 62.398 60.596 1.802 19955 11418 1 15 . 1 1 866 866 VAL CB C 866 32.832 32.832 33.103 -0.271 19955 11419 1 15 . 1 1 866 866 VAL H H 866 8.189 8.189 8.446 -0.257 19955 11420 1 15 . 1 1 867 867 LEU N N 867 127.515 127.515 126.673 0.842 19955 11421 1 15 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.264 -0.002 19955 11422 1 15 . 1 1 867 867 LEU C C 867 177.037 177.037 177.920 -0.883 19955 11423 1 15 . 1 1 867 867 LEU CA C 867 55.688 55.688 56.480 -0.792 19955 11424 1 15 . 1 1 867 867 LEU CB C 867 42.552 42.552 42.045 0.507 19955 11425 1 15 . 1 1 867 867 LEU H H 867 8.679 8.679 8.557 0.122 19955 11426 1 15 . 1 1 868 868 GLU N N 868 120.794 120.794 118.464 2.330 19955 11427 1 15 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.592 -0.373 19955 11428 1 15 . 1 1 868 868 GLU C C 868 175.353 175.353 175.560 -0.207 19955 11429 1 15 . 1 1 868 868 GLU CA C 868 55.753 55.753 55.909 -0.156 19955 11430 1 15 . 1 1 868 868 GLU CB C 868 31.419 31.419 28.067 3.352 19955 11431 1 15 . 1 1 868 868 GLU H H 868 8.272 8.272 8.227 0.045 19955 11432 1 15 . 1 1 869 869 TYR N N 869 121.165 121.165 124.369 -3.204 19955 11433 1 15 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.754 -0.054 19955 11434 1 15 . 1 1 869 869 TYR C C 869 176.824 176.824 174.142 2.682 19955 11435 1 15 . 1 1 869 869 TYR CA C 869 56.809 56.809 57.407 -0.598 19955 11436 1 15 . 1 1 869 869 TYR CB C 869 38.650 38.650 41.746 -3.096 19955 11437 1 15 . 1 1 869 869 TYR H H 869 8.003 8.003 7.981 0.022 19955 11438 1 15 . 1 1 870 870 GLY N N 870 104.958 104.958 113.750 -8.792 19955 11439 1 15 . 1 1 870 870 GLY C C 870 173.846 173.846 171.725 2.121 19955 11440 1 15 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.349 -0.130 19955 11441 1 15 . 1 1 870 870 GLY H H 870 8.590 8.590 7.587 1.003 19955 11442 1 15 . 1 1 871 871 GLU N N 871 122.341 122.341 119.198 3.143 19955 11443 1 15 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.401 -0.179 19955 11444 1 15 . 1 1 871 871 GLU C C 871 173.827 173.827 174.731 -0.904 19955 11445 1 15 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.332 1.527 19955 11446 1 15 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.745 0.189 19955 11447 1 15 . 1 1 871 871 GLU H H 871 9.246 9.246 7.844 1.402 19955 11448 1 15 . 1 1 872 872 ALA N N 872 126.709 126.709 122.619 4.090 19955 11449 1 15 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.128 -0.024 19955 11450 1 15 . 1 1 872 872 ALA C C 872 174.022 174.022 174.819 -0.797 19955 11451 1 15 . 1 1 872 872 ALA CA C 872 50.135 50.135 51.177 -1.042 19955 11452 1 15 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.703 1.795 19955 11453 1 15 . 1 1 872 872 ALA H H 872 9.266 9.266 8.851 0.415 19955 11454 1 15 . 1 1 873 873 ILE N N 873 118.554 118.554 121.059 -2.505 19955 11455 1 15 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.953 -0.339 19955 11456 1 15 . 1 1 873 873 ILE C C 873 176.132 176.132 175.249 0.883 19955 11457 1 15 . 1 1 873 873 ILE CA C 873 58.788 58.788 59.282 -0.494 19955 11458 1 15 . 1 1 873 873 ILE CB C 873 40.630 40.630 41.934 -1.304 19955 11459 1 15 . 1 1 873 873 ILE H H 873 8.522 8.522 8.852 -0.330 19955 11460 1 15 . 1 1 874 874 ALA N N 874 129.739 129.739 131.514 -1.775 19955 11461 1 15 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.279 -0.242 19955 11462 1 15 . 1 1 874 874 ALA C C 874 178.259 178.259 177.333 0.926 19955 11463 1 15 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.751 0.586 19955 11464 1 15 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.023 2.255 19955 11465 1 15 . 1 1 874 874 ALA H H 874 8.608 8.608 8.360 0.248 19955 11466 1 15 . 1 1 875 875 LYS N N 875 127.308 127.308 125.294 2.014 19955 11467 1 15 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.819 0.205 19955 11468 1 15 . 1 1 875 875 LYS C C 875 174.098 174.098 176.234 -2.136 19955 11469 1 15 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.745 -1.646 19955 11470 1 15 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.498 1.486 19955 11471 1 15 . 1 1 875 875 LYS H H 875 9.298 9.298 8.701 0.597 19955 11472 1 15 . 1 1 876 876 PHE N N 876 113.423 113.423 116.554 -3.131 19955 11473 1 15 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.644 0.267 19955 11474 1 15 . 1 1 876 876 PHE C C 876 174.050 174.050 175.217 -1.167 19955 11475 1 15 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.468 -2.623 19955 11476 1 15 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.869 1.873 19955 11477 1 15 . 1 1 876 876 PHE H H 876 7.328 7.328 7.381 -0.053 19955 11478 1 15 . 1 1 877 877 ASN N N 877 116.437 116.437 119.888 -3.451 19955 11479 1 15 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.701 0.088 19955 11480 1 15 . 1 1 877 877 ASN C C 877 174.454 174.454 174.331 0.123 19955 11481 1 15 . 1 1 877 877 ASN CA C 877 53.535 53.535 54.740 -1.205 19955 11482 1 15 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.990 -0.784 19955 11483 1 15 . 1 1 877 877 ASN H H 877 8.666 8.666 8.653 0.013 19955 11484 1 15 . 1 1 878 878 PHE N N 878 123.179 123.179 124.475 -1.296 19955 11485 1 15 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.586 0.079 19955 11486 1 15 . 1 1 878 878 PHE C C 878 173.027 173.027 173.028 -0.001 19955 11487 1 15 . 1 1 878 878 PHE CA C 878 56.104 56.104 57.033 -0.930 19955 11488 1 15 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.393 -0.307 19955 11489 1 15 . 1 1 878 878 PHE H H 878 8.433 8.433 8.743 -0.310 19955 11490 1 15 . 1 1 879 879 ASN N N 879 127.113 127.113 123.967 3.146 19955 11491 1 15 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.581 -0.019 19955 11492 1 15 . 1 1 879 879 ASN C C 879 173.174 173.174 174.084 -0.910 19955 11493 1 15 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.417 -0.487 19955 11494 1 15 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.261 0.126 19955 11495 1 15 . 1 1 879 879 ASN H H 879 8.000 8.000 7.758 0.242 19955 11496 1 15 . 1 1 880 880 GLY N N 880 110.949 110.949 110.526 0.423 19955 11497 1 15 . 1 1 880 880 GLY C C 880 173.383 173.383 174.430 -1.047 19955 11498 1 15 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.859 0.799 19955 11499 1 15 . 1 1 880 880 GLY H H 880 7.997 7.997 8.263 -0.266 19955 11500 1 15 . 1 1 881 881 ASP N N 881 122.408 122.408 117.911 4.497 19955 11501 1 15 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.715 -0.082 19955 11502 1 15 . 1 1 881 881 ASP C C 881 176.286 176.286 176.398 -0.112 19955 11503 1 15 . 1 1 881 881 ASP CA C 881 55.196 55.196 53.941 1.255 19955 11504 1 15 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.626 1.514 19955 11505 1 15 . 1 1 881 881 ASP H H 881 8.796 8.796 8.491 0.305 19955 11506 1 15 . 1 1 882 882 THR N N 882 108.354 108.354 110.967 -2.613 19955 11507 1 15 . 1 1 882 882 THR HA H 882 4.583 4.583 4.585 -0.002 19955 11508 1 15 . 1 1 882 882 THR C C 882 175.948 175.948 174.150 1.798 19955 11509 1 15 . 1 1 882 882 THR CA C 882 60.352 60.352 59.790 0.562 19955 11510 1 15 . 1 1 882 882 THR CB C 882 71.649 71.649 71.646 0.003 19955 11511 1 15 . 1 1 882 882 THR H H 882 7.541 7.541 7.314 0.227 19955 11512 1 15 . 1 1 883 883 GLN N N 883 118.622 118.622 119.671 -1.049 19955 11513 1 15 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.124 0.028 19955 11514 1 15 . 1 1 883 883 GLN C C 883 176.478 176.478 176.968 -0.490 19955 11515 1 15 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.749 -0.553 19955 11516 1 15 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.869 -0.200 19955 11517 1 15 . 1 1 883 883 GLN H H 883 8.710 8.710 8.633 0.077 19955 11518 1 15 . 1 1 884 884 VAL N N 884 111.473 111.473 116.027 -4.554 19955 11519 1 15 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.835 0.372 19955 11520 1 15 . 1 1 884 884 VAL C C 884 176.430 176.430 176.721 -0.291 19955 11521 1 15 . 1 1 884 884 VAL CA C 884 62.293 62.293 64.096 -1.803 19955 11522 1 15 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.720 0.204 19955 11523 1 15 . 1 1 884 884 VAL H H 884 7.260 7.260 7.940 -0.680 19955 11524 1 15 . 1 1 885 885 GLU N N 885 121.794 121.794 119.581 2.213 19955 11525 1 15 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.579 0.329 19955 11526 1 15 . 1 1 885 885 GLU C C 885 175.369 175.369 175.735 -0.366 19955 11527 1 15 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.581 -0.271 19955 11528 1 15 . 1 1 885 885 GLU CB C 885 31.789 31.789 29.727 2.062 19955 11529 1 15 . 1 1 885 885 GLU H H 885 7.455 7.455 7.614 -0.159 19955 11530 1 15 . 1 1 886 886 MET N N 886 125.473 125.473 124.605 0.868 19955 11531 1 15 . 1 1 886 886 MET HA H 886 4.534 4.534 4.742 -0.208 19955 11532 1 15 . 1 1 886 886 MET C C 886 172.841 172.841 176.168 -3.327 19955 11533 1 15 . 1 1 886 886 MET CA C 886 54.129 54.129 54.584 -0.455 19955 11534 1 15 . 1 1 886 886 MET CB C 886 35.157 35.157 33.821 1.336 19955 11535 1 15 . 1 1 886 886 MET H H 886 8.996 8.996 8.616 0.380 19955 11536 1 15 . 1 1 887 887 SER N N 887 118.425 118.425 119.378 -0.953 19955 11537 1 15 . 1 1 887 887 SER HA H 887 4.402 4.402 4.998 -0.596 19955 11538 1 15 . 1 1 887 887 SER C C 887 174.667 174.667 173.421 1.246 19955 11539 1 15 . 1 1 887 887 SER CA C 887 58.612 58.612 58.306 0.306 19955 11540 1 15 . 1 1 887 887 SER CB C 887 64.186 64.186 63.990 0.196 19955 11541 1 15 . 1 1 887 887 SER H H 887 7.888 7.888 8.637 -0.749 19955 11542 1 15 . 1 1 888 888 PHE N N 888 116.363 116.363 116.122 0.241 19955 11543 1 15 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.961 -0.447 19955 11544 1 15 . 1 1 888 888 PHE C C 888 174.756 174.756 173.461 1.295 19955 11545 1 15 . 1 1 888 888 PHE CA C 888 56.536 56.536 57.161 -0.625 19955 11546 1 15 . 1 1 888 888 PHE CB C 888 39.802 39.802 41.040 -1.238 19955 11547 1 15 . 1 1 888 888 PHE H H 888 8.780 8.780 8.035 0.745 19955 11548 1 15 . 1 1 889 889 ARG N N 889 121.944 121.944 119.312 2.632 19955 11549 1 15 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.691 0.281 19955 11550 1 15 . 1 1 889 889 ARG C C 889 175.318 175.318 175.295 0.023 19955 11551 1 15 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.034 -0.736 19955 11552 1 15 . 1 1 889 889 ARG CB C 889 32.886 32.886 33.501 -0.615 19955 11553 1 15 . 1 1 889 889 ARG H H 889 10.187 10.187 8.752 1.435 19955 11554 1 15 . 1 1 890 890 LYS N N 890 119.991 119.991 121.774 -1.783 19955 11555 1 15 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.922 -0.674 19955 11556 1 15 . 1 1 890 890 LYS C C 890 176.504 176.504 177.858 -1.354 19955 11557 1 15 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.343 0.053 19955 11558 1 15 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.176 0.653 19955 11559 1 15 . 1 1 890 890 LYS H H 890 8.360 8.360 8.480 -0.120 19955 11560 1 15 . 1 1 891 891 GLY N N 891 113.950 113.950 115.381 -1.431 19955 11561 1 15 . 1 1 891 891 GLY C C 891 174.298 174.298 174.406 -0.108 19955 11562 1 15 . 1 1 891 891 GLY CA C 891 44.668 44.668 44.870 -0.202 19955 11563 1 15 . 1 1 891 891 GLY H H 891 8.673 8.673 8.852 -0.179 19955 11564 1 15 . 1 1 892 892 GLU N N 892 119.511 119.511 121.706 -2.195 19955 11565 1 15 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.320 -0.204 19955 11566 1 15 . 1 1 892 892 GLU C C 892 174.618 174.618 176.256 -1.638 19955 11567 1 15 . 1 1 892 892 GLU CA C 892 59.515 59.515 56.398 3.117 19955 11568 1 15 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.418 0.163 19955 11569 1 15 . 1 1 892 892 GLU H H 892 7.856 7.856 7.911 -0.055 19955 11570 1 15 . 1 1 893 893 ARG N N 893 122.979 122.979 121.676 1.303 19955 11571 1 15 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.688 -0.091 19955 11572 1 15 . 1 1 893 893 ARG C C 893 174.836 174.836 176.074 -1.238 19955 11573 1 15 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.327 -0.799 19955 11574 1 15 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.536 -0.496 19955 11575 1 15 . 1 1 893 893 ARG H H 893 8.120 8.120 8.538 -0.418 19955 11576 1 15 . 1 1 894 894 ILE N N 894 122.659 122.659 122.451 0.208 19955 11577 1 15 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.396 -0.333 19955 11578 1 15 . 1 1 894 894 ILE C C 894 175.789 175.789 174.744 1.045 19955 11579 1 15 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.129 0.137 19955 11580 1 15 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.635 0.792 19955 11581 1 15 . 1 1 894 894 ILE H H 894 8.586 8.586 8.934 -0.348 19955 11582 1 15 . 1 1 895 895 THR N N 895 124.709 124.709 121.213 3.496 19955 11583 1 15 . 1 1 895 895 THR HA H 895 4.441 4.441 4.709 -0.268 19955 11584 1 15 . 1 1 895 895 THR C C 895 174.124 174.124 174.097 0.027 19955 11585 1 15 . 1 1 895 895 THR CA C 895 62.837 62.837 61.805 1.032 19955 11586 1 15 . 1 1 895 895 THR CB C 895 69.246 69.246 69.972 -0.726 19955 11587 1 15 . 1 1 895 895 THR H H 895 9.078 9.078 8.775 0.303 19955 11588 1 15 . 1 1 896 896 LEU N N 896 122.648 122.648 128.166 -5.518 19955 11589 1 15 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.367 0.022 19955 11590 1 15 . 1 1 896 896 LEU C C 896 174.836 174.836 176.286 -1.450 19955 11591 1 15 . 1 1 896 896 LEU H H 896 8.583 8.583 8.895 -0.312 19955 11592 1 15 . 1 1 897 897 LEU N N 897 124.502 124.502 125.351 -0.849 19955 11593 1 15 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.496 -0.164 19955 11594 1 15 . 1 1 897 897 LEU C C 897 176.645 176.645 177.663 -1.018 19955 11595 1 15 . 1 1 897 897 LEU CA C 897 56.226 56.226 56.205 0.021 19955 11596 1 15 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.171 -0.840 19955 11597 1 15 . 1 1 897 897 LEU H H 897 8.984 8.984 8.572 0.412 19955 11598 1 15 . 1 1 898 898 ARG N N 898 108.422 108.422 117.299 -8.877 19955 11599 1 15 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.583 -0.141 19955 11600 1 15 . 1 1 898 898 ARG C C 898 173.645 173.645 174.041 -0.396 19955 11601 1 15 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.221 0.020 19955 11602 1 15 . 1 1 898 898 ARG CB C 898 31.609 31.609 34.017 -2.408 19955 11603 1 15 . 1 1 898 898 ARG H H 898 7.413 7.413 7.673 -0.260 19955 11604 1 15 . 1 1 899 899 GLN N N 899 124.503 124.503 123.698 0.805 19955 11605 1 15 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.607 -0.415 19955 11606 1 15 . 1 1 899 899 GLN C C 899 175.142 175.142 175.392 -0.250 19955 11607 1 15 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.483 0.813 19955 11608 1 15 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.740 -1.251 19955 11609 1 15 . 1 1 899 899 GLN H H 899 9.301 9.301 8.755 0.546 19955 11610 1 15 . 1 1 900 900 VAL N N 900 129.109 129.109 126.761 2.348 19955 11611 1 15 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.852 -0.186 19955 11612 1 15 . 1 1 900 900 VAL C C 900 175.298 175.298 176.458 -1.160 19955 11613 1 15 . 1 1 900 900 VAL CA C 900 64.773 64.773 64.546 0.227 19955 11614 1 15 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.359 0.462 19955 11615 1 15 . 1 1 900 900 VAL H H 900 8.475 8.475 8.305 0.170 19955 11616 1 15 . 1 1 901 901 ASP N N 901 118.573 118.573 116.034 2.539 19955 11617 1 15 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.888 -0.492 19955 11618 1 15 . 1 1 901 901 ASP C C 901 175.386 175.386 176.200 -0.814 19955 11619 1 15 . 1 1 901 901 ASP CA C 901 53.300 53.300 53.017 0.283 19955 11620 1 15 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.870 -2.707 19955 11621 1 15 . 1 1 901 901 ASP H H 901 8.038 8.038 7.925 0.113 19955 11622 1 15 . 1 1 902 902 GLU N N 902 114.492 114.492 119.583 -5.091 19955 11623 1 15 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.223 -0.391 19955 11624 1 15 . 1 1 902 902 GLU C C 902 175.973 175.973 176.732 -0.759 19955 11625 1 15 . 1 1 902 902 GLU CA C 902 59.095 59.095 59.302 -0.207 19955 11626 1 15 . 1 1 902 902 GLU CB C 902 29.507 29.507 29.666 -0.159 19955 11627 1 15 . 1 1 902 902 GLU H H 902 8.784 8.784 8.854 -0.070 19955 11628 1 15 . 1 1 903 903 ASN N N 903 113.835 113.835 115.033 -1.198 19955 11629 1 15 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.833 0.031 19955 11630 1 15 . 1 1 903 903 ASN C C 903 175.238 175.238 173.490 1.748 19955 11631 1 15 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.653 1.147 19955 11632 1 15 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.060 3.150 19955 11633 1 15 . 1 1 903 903 ASN H H 903 8.763 8.763 8.548 0.215 19955 11634 1 15 . 1 1 904 904 TRP N N 904 121.517 121.517 118.853 2.664 19955 11635 1 15 . 1 1 904 904 TRP HA H 904 4.950 4.950 4.910 0.040 19955 11636 1 15 . 1 1 904 904 TRP C C 904 175.223 175.223 174.897 0.326 19955 11637 1 15 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.716 0.463 19955 11638 1 15 . 1 1 904 904 TRP CB C 904 31.286 31.286 33.388 -2.102 19955 11639 1 15 . 1 1 904 904 TRP H H 904 8.141 8.141 7.549 0.592 19955 11640 1 15 . 1 1 905 905 TYR N N 905 121.365 121.365 116.984 4.381 19955 11641 1 15 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.223 -0.307 19955 11642 1 15 . 1 1 905 905 TYR C C 905 173.702 173.702 172.697 1.005 19955 11643 1 15 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.446 0.014 19955 11644 1 15 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.526 1.875 19955 11645 1 15 . 1 1 905 905 TYR H H 905 8.550 8.550 8.456 0.094 19955 11646 1 15 . 1 1 906 906 GLU N N 906 117.356 117.356 121.474 -4.118 19955 11647 1 15 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.691 0.194 19955 11648 1 15 . 1 1 906 906 GLU C C 906 176.159 176.159 175.240 0.919 19955 11649 1 15 . 1 1 906 906 GLU CA C 906 54.795 54.795 53.938 0.857 19955 11650 1 15 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.392 -0.802 19955 11651 1 15 . 1 1 906 906 GLU H H 906 8.707 8.707 9.028 -0.321 19955 11652 1 15 . 1 1 907 907 GLY N N 907 114.506 114.506 112.029 2.477 19955 11653 1 15 . 1 1 907 907 GLY C C 907 169.408 169.408 171.775 -2.367 19955 11654 1 15 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.171 0.563 19955 11655 1 15 . 1 1 907 907 GLY H H 907 9.334 9.334 8.434 0.900 19955 11656 1 15 . 1 1 908 908 ARG N N 908 114.660 114.660 117.054 -2.394 19955 11657 1 15 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.304 0.073 19955 11658 1 15 . 1 1 908 908 ARG C C 908 173.981 173.981 174.551 -0.570 19955 11659 1 15 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.237 0.040 19955 11660 1 15 . 1 1 908 908 ARG CB C 908 34.589 34.589 33.367 1.222 19955 11661 1 15 . 1 1 908 908 ARG H H 908 8.694 8.694 8.333 0.361 19955 11662 1 15 . 1 1 909 909 ILE N N 909 124.579 124.579 122.157 2.422 19955 11663 1 15 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.660 0.259 19955 11664 1 15 . 1 1 909 909 ILE C C 909 175.024 175.024 174.556 0.468 19955 11665 1 15 . 1 1 909 909 ILE CA C 909 56.699 56.699 58.681 -1.982 19955 11666 1 15 . 1 1 909 909 ILE CB C 909 35.387 35.387 39.370 -3.983 19955 11667 1 15 . 1 1 909 909 ILE H H 909 7.757 7.757 8.429 -0.672 19955 11668 1 15 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.256 0.372 19955 11669 1 15 . 1 1 910 910 PRO C C 910 176.353 176.353 177.586 -1.233 19955 11670 1 15 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.485 -11.687 19955 11671 1 15 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.968 -1.560 19955 11672 1 15 . 1 1 911 911 GLY N N 911 118.118 118.118 112.005 6.113 19955 11673 1 15 . 1 1 911 911 GLY C C 911 173.987 173.987 174.446 -0.459 19955 11674 1 15 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.346 -0.014 19955 11675 1 15 . 1 1 911 911 GLY H H 911 7.869 7.869 8.688 -0.819 19955 11676 1 15 . 1 1 912 912 THR N N 912 109.041 109.041 112.083 -3.042 19955 11677 1 15 . 1 1 912 912 THR HA H 912 4.469 4.469 3.905 0.564 19955 11678 1 15 . 1 1 912 912 THR C C 912 174.144 174.144 174.268 -0.124 19955 11679 1 15 . 1 1 912 912 THR CA C 912 60.194 60.194 63.309 -3.115 19955 11680 1 15 . 1 1 912 912 THR CB C 912 72.812 72.812 67.236 5.576 19955 11681 1 15 . 1 1 912 912 THR H H 912 7.743 7.743 8.071 -0.328 19955 11682 1 15 . 1 1 913 913 SER N N 913 126.292 126.292 116.819 9.473 19955 11683 1 15 . 1 1 913 913 SER HA H 913 4.671 4.671 4.172 0.499 19955 11684 1 15 . 1 1 913 913 SER C C 913 174.781 174.781 174.551 0.230 19955 11685 1 15 . 1 1 913 913 SER CA C 913 57.411 57.411 61.016 -3.605 19955 11686 1 15 . 1 1 913 913 SER CB C 913 63.258 63.258 63.677 -0.419 19955 11687 1 15 . 1 1 913 913 SER H H 913 7.896 7.896 8.059 -0.163 19955 11688 1 15 . 1 1 914 914 ARG N N 914 124.284 124.284 119.112 5.172 19955 11689 1 15 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.679 -0.426 19955 11690 1 15 . 1 1 914 914 ARG C C 914 174.712 174.712 173.913 0.799 19955 11691 1 15 . 1 1 914 914 ARG CA C 914 56.960 56.960 55.757 1.203 19955 11692 1 15 . 1 1 914 914 ARG CB C 914 30.694 30.694 33.756 -3.062 19955 11693 1 15 . 1 1 914 914 ARG H H 914 8.631 8.631 7.844 0.787 19955 11694 1 15 . 1 1 915 915 GLN N N 915 124.297 124.297 122.176 2.121 19955 11695 1 15 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.258 0.123 19955 11696 1 15 . 1 1 915 915 GLN C C 915 174.377 174.377 174.050 0.327 19955 11697 1 15 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.796 0.770 19955 11698 1 15 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.440 -1.434 19955 11699 1 15 . 1 1 915 915 GLN H H 915 8.054 8.054 8.640 -0.586 19955 11700 1 15 . 1 1 916 916 GLY N N 916 112.028 112.028 110.823 1.205 19955 11701 1 15 . 1 1 916 916 GLY C C 916 172.185 172.185 171.231 0.954 19955 11702 1 15 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.450 -0.203 19955 11703 1 15 . 1 1 916 916 GLY H H 916 8.818 8.818 8.615 0.203 19955 11704 1 15 . 1 1 917 917 ILE N N 917 113.634 113.634 115.642 -2.008 19955 11705 1 15 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.450 1.578 19955 11706 1 15 . 1 1 917 917 ILE C C 917 176.584 176.584 173.317 3.267 19955 11707 1 15 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.147 1.832 19955 11708 1 15 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.520 0.705 19955 11709 1 15 . 1 1 917 917 ILE H H 917 8.714 8.714 7.316 1.398 19955 11710 1 15 . 1 1 918 918 PHE N N 918 115.806 115.806 118.922 -3.116 19955 11711 1 15 . 1 1 918 918 PHE C C 918 170.959 170.959 172.775 -1.816 19955 11712 1 15 . 1 1 918 918 PHE CA C 918 55.619 55.619 54.924 0.695 19955 11713 1 15 . 1 1 918 918 PHE CB C 918 38.622 38.622 40.184 -1.562 19955 11714 1 15 . 1 1 918 918 PHE H H 918 8.573 8.573 7.480 1.093 19955 11715 1 15 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.331 -0.231 19955 11716 1 15 . 1 1 919 919 PRO C C 919 178.655 178.655 177.139 1.516 19955 11717 1 15 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.980 -0.982 19955 11718 1 15 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.731 -0.521 19955 11719 1 15 . 1 1 920 920 ILE N N 920 123.677 123.677 123.357 0.320 19955 11720 1 15 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.766 -0.075 19955 11721 1 15 . 1 1 920 920 ILE C C 920 176.798 176.798 178.170 -1.372 19955 11722 1 15 . 1 1 920 920 ILE CA C 920 63.373 63.373 64.724 -1.351 19955 11723 1 15 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.757 1.094 19955 11724 1 15 . 1 1 920 920 ILE H H 920 7.949 7.949 7.957 -0.008 19955 11725 1 15 . 1 1 921 921 THR N N 921 106.993 106.993 116.215 -9.222 19955 11726 1 15 . 1 1 921 921 THR HA H 921 4.294 4.294 3.950 0.344 19955 11727 1 15 . 1 1 921 921 THR C C 921 175.639 175.639 175.957 -0.318 19955 11728 1 15 . 1 1 921 921 THR CA C 921 62.983 62.983 67.001 -4.018 19955 11729 1 15 . 1 1 921 921 THR CB C 921 69.104 69.104 68.873 0.231 19955 11730 1 15 . 1 1 921 921 THR H H 921 7.500 7.500 8.195 -0.695 19955 11731 1 15 . 1 1 922 922 TYR N N 922 118.600 118.600 118.530 0.070 19955 11732 1 15 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.714 -0.074 19955 11733 1 15 . 1 1 922 922 TYR C C 922 175.481 175.481 174.907 0.574 19955 11734 1 15 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.769 1.679 19955 11735 1 15 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.030 0.570 19955 11736 1 15 . 1 1 922 922 TYR H H 922 7.836 7.836 7.864 -0.028 19955 11737 1 15 . 1 1 923 923 VAL N N 923 109.058 109.058 118.173 -9.115 19955 11738 1 15 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.496 0.463 19955 11739 1 15 . 1 1 923 923 VAL C C 923 172.905 172.905 174.402 -1.497 19955 11740 1 15 . 1 1 923 923 VAL CA C 923 58.490 58.490 60.321 -1.831 19955 11741 1 15 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.163 0.124 19955 11742 1 15 . 1 1 923 923 VAL H H 923 7.701 7.701 7.801 -0.100 19955 11743 1 15 . 1 1 924 924 ASP N N 924 120.115 120.115 124.816 -4.701 19955 11744 1 15 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.782 0.152 19955 11745 1 15 . 1 1 924 924 ASP C C 924 175.863 175.863 175.360 0.503 19955 11746 1 15 . 1 1 924 924 ASP CA C 924 52.934 52.934 51.760 1.174 19955 11747 1 15 . 1 1 924 924 ASP CB C 924 42.263 42.263 42.884 -0.621 19955 11748 1 15 . 1 1 924 924 ASP H H 924 8.658 8.658 9.000 -0.342 19955 11749 1 15 . 1 1 925 925 VAL N N 925 125.090 125.090 121.588 3.502 19955 11750 1 15 . 1 1 925 925 VAL HA H 925 3.679 3.679 4.242 -0.563 19955 11751 1 15 . 1 1 925 925 VAL C C 925 175.620 175.620 175.570 0.050 19955 11752 1 15 . 1 1 925 925 VAL CA C 925 64.215 64.215 61.966 2.249 19955 11753 1 15 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.743 -0.022 19955 11754 1 15 . 1 1 925 925 VAL H H 925 8.911 8.911 8.522 0.389 19955 11755 1 15 . 1 1 926 926 ILE N N 926 129.390 129.390 127.923 1.467 19955 11756 1 15 . 1 1 926 926 ILE HA H 926 4.037 4.037 4.074 -0.037 19955 11757 1 15 . 1 1 926 926 ILE C C 926 175.683 175.683 176.201 -0.518 19955 11758 1 15 . 1 1 926 926 ILE CA C 926 61.578 61.578 62.093 -0.515 19955 11759 1 15 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.846 -0.299 19955 11760 1 15 . 1 1 926 926 ILE H H 926 8.519 8.519 8.426 0.093 19955 11761 1 15 . 1 1 927 927 LYS N N 927 122.060 122.060 119.036 3.024 19955 11762 1 15 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.550 0.062 19955 11763 1 15 . 1 1 927 927 LYS C C 927 175.204 175.204 174.804 0.400 19955 11764 1 15 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.312 0.285 19955 11765 1 15 . 1 1 927 927 LYS CB C 927 35.633 35.633 35.459 0.174 19955 11766 1 15 . 1 1 927 927 LYS H H 927 8.017 8.017 7.477 0.540 19955 11767 1 15 . 1 1 928 928 ARG N N 928 126.441 126.441 124.811 1.630 19955 11768 1 15 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.392 0.035 19955 11769 1 15 . 1 1 928 928 ARG C C 928 173.959 173.959 175.363 -1.404 19955 11770 1 15 . 1 1 928 928 ARG CA C 928 55.488 55.488 55.281 0.207 19955 11771 1 15 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.669 0.044 19955 11772 1 15 . 1 1 928 928 ARG H H 928 8.729 8.729 8.542 0.187 19955 11773 1 15 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.368 0.145 19955 11774 1 15 . 1 1 929 929 PRO CA C 929 62.718 62.718 63.245 -0.527 19955 11775 1 15 . 1 1 929 929 PRO CB C 929 31.616 31.616 31.860 -0.244 19955 11776 1 16 . 1 1 790 790 MET HA H 790 4.396 4.396 4.717 -0.321 19955 11777 1 16 . 1 1 790 790 MET CA C 790 55.378 55.378 55.109 0.269 19955 11778 1 16 . 1 1 790 790 MET CB C 790 32.960 32.960 33.124 -0.164 19955 11779 1 16 . 1 1 791 791 SER N N 791 118.373 118.373 118.311 0.062 19955 11780 1 16 . 1 1 791 791 SER HA H 791 4.362 4.362 4.685 -0.323 19955 11781 1 16 . 1 1 791 791 SER C C 791 175.043 175.043 175.433 -0.390 19955 11782 1 16 . 1 1 791 791 SER CA C 791 58.532 58.532 58.281 0.251 19955 11783 1 16 . 1 1 791 791 SER CB C 791 63.749 63.749 64.851 -1.102 19955 11784 1 16 . 1 1 791 791 SER H H 791 8.657 8.657 8.697 -0.040 19955 11785 1 16 . 1 1 792 792 GLY N N 792 111.254 111.254 111.408 -0.154 19955 11786 1 16 . 1 1 792 792 GLY C C 792 174.362 174.362 174.432 -0.070 19955 11787 1 16 . 1 1 792 792 GLY CA C 792 45.539 45.539 45.239 0.300 19955 11788 1 16 . 1 1 792 792 GLY H H 792 8.560 8.560 8.593 -0.033 19955 11789 1 16 . 1 1 793 793 SER N N 793 115.369 115.369 115.604 -0.235 19955 11790 1 16 . 1 1 793 793 SER HA H 793 4.409 4.409 4.721 -0.312 19955 11791 1 16 . 1 1 793 793 SER C C 793 174.396 174.396 172.711 1.685 19955 11792 1 16 . 1 1 793 793 SER CA C 793 58.485 58.485 58.206 0.279 19955 11793 1 16 . 1 1 793 793 SER CB C 793 63.845 63.845 64.182 -0.337 19955 11794 1 16 . 1 1 793 793 SER H H 793 8.102 8.102 7.772 0.330 19955 11795 1 16 . 1 1 794 794 GLU N N 794 122.660 122.660 123.815 -1.155 19955 11796 1 16 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.699 -0.489 19955 11797 1 16 . 1 1 794 794 GLU C C 794 175.970 175.970 174.454 1.516 19955 11798 1 16 . 1 1 794 794 GLU CA C 794 56.849 56.849 55.961 0.888 19955 11799 1 16 . 1 1 794 794 GLU CB C 794 30.261 30.261 31.787 -1.526 19955 11800 1 16 . 1 1 794 794 GLU H H 794 8.565 8.565 8.534 0.031 19955 11801 1 16 . 1 1 795 795 MET N N 795 119.544 119.544 120.354 -0.810 19955 11802 1 16 . 1 1 795 795 MET HA H 795 4.653 4.653 5.565 -0.912 19955 11803 1 16 . 1 1 795 795 MET C C 795 175.590 175.590 175.939 -0.349 19955 11804 1 16 . 1 1 795 795 MET CA C 795 55.135 55.135 54.808 0.327 19955 11805 1 16 . 1 1 795 795 MET CB C 795 32.378 32.378 37.429 -5.051 19955 11806 1 16 . 1 1 795 795 MET H H 795 8.156 8.156 8.741 -0.585 19955 11807 1 16 . 1 1 796 796 ARG N N 796 122.177 122.177 120.807 1.370 19955 11808 1 16 . 1 1 796 796 ARG HA H 796 4.911 4.911 5.067 -0.156 19955 11809 1 16 . 1 1 796 796 ARG C C 796 173.378 173.378 174.111 -0.733 19955 11810 1 16 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.138 -0.202 19955 11811 1 16 . 1 1 796 796 ARG CB C 796 32.172 32.172 32.270 -0.098 19955 11812 1 16 . 1 1 796 796 ARG H H 796 8.358 8.358 8.721 -0.363 19955 11813 1 16 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.433 0.263 19955 11814 1 16 . 1 1 797 797 PRO C C 797 175.805 175.805 175.379 0.426 19955 11815 1 16 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.328 -0.171 19955 11816 1 16 . 1 1 797 797 PRO CB C 797 32.377 32.377 31.584 0.793 19955 11817 1 16 . 1 1 798 798 ALA N N 798 123.383 123.383 127.718 -4.335 19955 11818 1 16 . 1 1 798 798 ALA HA H 798 4.699 4.699 5.092 -0.393 19955 11819 1 16 . 1 1 798 798 ALA C C 798 173.534 173.534 175.354 -1.820 19955 11820 1 16 . 1 1 798 798 ALA CA C 798 50.823 50.823 49.730 1.093 19955 11821 1 16 . 1 1 798 798 ALA CB C 798 23.723 23.723 22.690 1.033 19955 11822 1 16 . 1 1 798 798 ALA H H 798 8.820 8.820 8.926 -0.106 19955 11823 1 16 . 1 1 799 799 ARG N N 799 118.968 118.968 122.620 -3.652 19955 11824 1 16 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.732 0.609 19955 11825 1 16 . 1 1 799 799 ARG C C 799 176.215 176.215 174.822 1.393 19955 11826 1 16 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.002 -0.880 19955 11827 1 16 . 1 1 799 799 ARG CB C 799 34.439 34.439 34.114 0.325 19955 11828 1 16 . 1 1 799 799 ARG H H 799 8.803 8.803 8.379 0.424 19955 11829 1 16 . 1 1 800 800 ALA N N 800 128.073 128.073 129.253 -1.180 19955 11830 1 16 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.645 -0.108 19955 11831 1 16 . 1 1 800 800 ALA C C 800 178.146 178.146 177.276 0.870 19955 11832 1 16 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.496 0.712 19955 11833 1 16 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.406 -0.752 19955 11834 1 16 . 1 1 800 800 ALA H H 800 9.037 9.037 8.397 0.640 19955 11835 1 16 . 1 1 801 801 LYS N N 801 127.334 127.334 125.815 1.519 19955 11836 1 16 . 1 1 801 801 LYS HA H 801 3.758 3.758 4.226 -0.468 19955 11837 1 16 . 1 1 801 801 LYS C C 801 174.213 174.213 176.628 -2.415 19955 11838 1 16 . 1 1 801 801 LYS CA C 801 57.344 57.344 58.987 -1.643 19955 11839 1 16 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.332 0.315 19955 11840 1 16 . 1 1 801 801 LYS H H 801 9.291 9.291 8.910 0.381 19955 11841 1 16 . 1 1 802 802 PHE N N 802 111.696 111.696 115.833 -4.137 19955 11842 1 16 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.701 0.040 19955 11843 1 16 . 1 1 802 802 PHE C C 802 173.408 173.408 173.504 -0.096 19955 11844 1 16 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.014 -2.645 19955 11845 1 16 . 1 1 802 802 PHE CB C 802 43.242 43.242 43.031 0.211 19955 11846 1 16 . 1 1 802 802 PHE H H 802 7.069 7.069 7.594 -0.525 19955 11847 1 16 . 1 1 803 803 ASP N N 803 117.498 117.498 119.505 -2.007 19955 11848 1 16 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.615 -0.091 19955 11849 1 16 . 1 1 803 803 ASP C C 803 175.782 175.782 174.346 1.436 19955 11850 1 16 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.252 1.474 19955 11851 1 16 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.661 -0.507 19955 11852 1 16 . 1 1 803 803 ASP H H 803 8.339 8.339 6.774 1.565 19955 11853 1 16 . 1 1 804 804 PHE N N 804 123.264 123.264 123.389 -0.125 19955 11854 1 16 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.757 0.235 19955 11855 1 16 . 1 1 804 804 PHE C C 804 173.750 173.750 173.731 0.019 19955 11856 1 16 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.655 -0.434 19955 11857 1 16 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.817 -0.685 19955 11858 1 16 . 1 1 804 804 PHE H H 804 9.223 9.223 9.078 0.145 19955 11859 1 16 . 1 1 805 805 LYS N N 805 129.548 129.548 128.595 0.953 19955 11860 1 16 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.219 -0.098 19955 11861 1 16 . 1 1 805 805 LYS C C 805 174.042 174.042 174.553 -0.511 19955 11862 1 16 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.935 -0.567 19955 11863 1 16 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.134 -1.353 19955 11864 1 16 . 1 1 805 805 LYS H H 805 8.125 8.125 8.105 0.020 19955 11865 1 16 . 1 1 806 806 ALA N N 806 127.231 127.231 127.502 -0.271 19955 11866 1 16 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.097 -0.215 19955 11867 1 16 . 1 1 806 806 ALA C C 806 178.066 178.066 177.286 0.780 19955 11868 1 16 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.193 -0.595 19955 11869 1 16 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.378 1.127 19955 11870 1 16 . 1 1 806 806 ALA H H 806 7.291 7.291 8.241 -0.950 19955 11871 1 16 . 1 1 807 807 GLN N N 807 121.482 121.482 121.326 0.156 19955 11872 1 16 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.359 -0.033 19955 11873 1 16 . 1 1 807 807 GLN C C 807 175.927 175.927 175.984 -0.057 19955 11874 1 16 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.398 -0.192 19955 11875 1 16 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.748 1.194 19955 11876 1 16 . 1 1 807 807 GLN H H 807 9.375 9.375 9.364 0.011 19955 11877 1 16 . 1 1 808 808 THR N N 808 108.842 108.842 109.236 -0.394 19955 11878 1 16 . 1 1 808 808 THR HA H 808 4.661 4.661 4.591 0.070 19955 11879 1 16 . 1 1 808 808 THR C C 808 175.262 175.262 174.964 0.298 19955 11880 1 16 . 1 1 808 808 THR CA C 808 59.313 59.313 59.896 -0.583 19955 11881 1 16 . 1 1 808 808 THR CB C 808 71.810 71.810 71.476 0.334 19955 11882 1 16 . 1 1 808 808 THR H H 808 7.472 7.472 7.319 0.153 19955 11883 1 16 . 1 1 809 809 LEU N N 809 119.518 119.518 120.463 -0.945 19955 11884 1 16 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.101 0.099 19955 11885 1 16 . 1 1 809 809 LEU C C 809 177.895 177.895 177.385 0.510 19955 11886 1 16 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.655 -0.568 19955 11887 1 16 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.590 0.311 19955 11888 1 16 . 1 1 809 809 LEU H H 809 8.387 8.387 8.542 -0.155 19955 11889 1 16 . 1 1 810 810 LYS N N 810 115.587 115.587 115.995 -0.408 19955 11890 1 16 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.134 0.096 19955 11891 1 16 . 1 1 810 810 LYS C C 810 177.172 177.172 176.682 0.490 19955 11892 1 16 . 1 1 810 810 LYS CA C 810 56.807 56.807 57.576 -0.769 19955 11893 1 16 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.548 0.510 19955 11894 1 16 . 1 1 810 810 LYS H H 810 7.707 7.707 8.231 -0.524 19955 11895 1 16 . 1 1 811 811 GLU N N 811 119.522 119.522 117.625 1.897 19955 11896 1 16 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.684 0.015 19955 11897 1 16 . 1 1 811 811 GLU C C 811 174.240 174.240 175.260 -1.020 19955 11898 1 16 . 1 1 811 811 GLU CA C 811 55.419 55.419 55.432 -0.013 19955 11899 1 16 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.602 1.752 19955 11900 1 16 . 1 1 811 811 GLU H H 811 7.244 7.244 7.510 -0.266 19955 11901 1 16 . 1 1 812 812 LEU N N 812 126.910 126.910 123.161 3.749 19955 11902 1 16 . 1 1 812 812 LEU C C 812 172.269 172.269 175.967 -3.698 19955 11903 1 16 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.528 -1.017 19955 11904 1 16 . 1 1 812 812 LEU CB C 812 45.092 45.092 42.407 2.686 19955 11905 1 16 . 1 1 812 812 LEU H H 812 9.168 9.168 8.593 0.575 19955 11906 1 16 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.637 -0.200 19955 11907 1 16 . 1 1 813 813 PRO C C 813 176.755 176.755 175.425 1.330 19955 11908 1 16 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.228 0.318 19955 11909 1 16 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.576 -0.601 19955 11910 1 16 . 1 1 814 814 LEU N N 814 118.726 118.726 122.099 -3.373 19955 11911 1 16 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.632 0.014 19955 11912 1 16 . 1 1 814 814 LEU C C 814 176.452 176.452 175.151 1.301 19955 11913 1 16 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.537 -0.146 19955 11914 1 16 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.099 0.797 19955 11915 1 16 . 1 1 814 814 LEU H H 814 8.532 8.532 8.898 -0.366 19955 11916 1 16 . 1 1 815 815 GLN N N 815 123.473 123.473 121.478 1.995 19955 11917 1 16 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.469 0.282 19955 11918 1 16 . 1 1 815 815 GLN C C 815 174.820 174.820 174.516 0.304 19955 11919 1 16 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.722 -0.386 19955 11920 1 16 . 1 1 815 815 GLN CB C 815 31.094 31.094 31.958 -0.864 19955 11921 1 16 . 1 1 815 815 GLN H H 815 8.938 8.938 8.548 0.390 19955 11922 1 16 . 1 1 816 816 LYS N N 816 122.982 122.982 123.529 -0.547 19955 11923 1 16 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.910 -0.795 19955 11924 1 16 . 1 1 816 816 LYS C C 816 177.030 177.030 177.506 -0.476 19955 11925 1 16 . 1 1 816 816 LYS CA C 816 58.676 58.676 57.580 1.096 19955 11926 1 16 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.142 1.100 19955 11927 1 16 . 1 1 816 816 LYS H H 816 8.888 8.888 8.774 0.114 19955 11928 1 16 . 1 1 817 817 GLY N N 817 115.370 115.370 113.215 2.155 19955 11929 1 16 . 1 1 817 817 GLY C C 817 174.271 174.271 174.198 0.073 19955 11930 1 16 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.675 -0.014 19955 11931 1 16 . 1 1 817 817 GLY H H 817 8.870 8.870 8.862 0.008 19955 11932 1 16 . 1 1 818 818 ASP N N 818 123.102 123.102 123.128 -0.026 19955 11933 1 16 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.595 -0.266 19955 11934 1 16 . 1 1 818 818 ASP C C 818 175.076 175.076 176.125 -1.049 19955 11935 1 16 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.408 1.187 19955 11936 1 16 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.513 0.025 19955 11937 1 16 . 1 1 818 818 ASP H H 818 8.468 8.468 8.263 0.205 19955 11938 1 16 . 1 1 819 819 ILE N N 819 121.053 121.053 124.790 -3.737 19955 11939 1 16 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.481 0.339 19955 11940 1 16 . 1 1 819 819 ILE C C 819 175.630 175.630 175.826 -0.196 19955 11941 1 16 . 1 1 819 819 ILE CA C 819 58.602 58.602 59.367 -0.765 19955 11942 1 16 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.367 -0.826 19955 11943 1 16 . 1 1 819 819 ILE H H 819 8.286 8.286 8.227 0.059 19955 11944 1 16 . 1 1 820 820 VAL N N 820 124.554 124.554 120.287 4.267 19955 11945 1 16 . 1 1 820 820 VAL HA H 820 4.679 4.679 5.025 -0.346 19955 11946 1 16 . 1 1 820 820 VAL C C 820 172.751 172.751 173.863 -1.112 19955 11947 1 16 . 1 1 820 820 VAL CA C 820 57.861 57.861 59.504 -1.643 19955 11948 1 16 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.617 -1.245 19955 11949 1 16 . 1 1 820 820 VAL H H 820 8.717 8.717 8.902 -0.185 19955 11950 1 16 . 1 1 821 821 TYR N N 821 120.296 120.296 121.506 -1.210 19955 11951 1 16 . 1 1 821 821 TYR HA H 821 4.803 4.803 5.298 -0.495 19955 11952 1 16 . 1 1 821 821 TYR C C 821 175.760 175.760 176.551 -0.791 19955 11953 1 16 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.383 0.455 19955 11954 1 16 . 1 1 821 821 TYR CB C 821 40.132 40.132 40.104 0.028 19955 11955 1 16 . 1 1 821 821 TYR H H 821 8.360 8.360 8.855 -0.495 19955 11956 1 16 . 1 1 822 822 ILE N N 822 123.440 123.440 125.047 -1.607 19955 11957 1 16 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.565 -0.700 19955 11958 1 16 . 1 1 822 822 ILE C C 822 176.541 176.541 175.709 0.832 19955 11959 1 16 . 1 1 822 822 ILE CA C 822 62.327 62.327 62.047 0.280 19955 11960 1 16 . 1 1 822 822 ILE CB C 822 39.429 39.429 38.520 0.909 19955 11961 1 16 . 1 1 822 822 ILE H H 822 8.991 8.991 8.436 0.555 19955 11962 1 16 . 1 1 823 823 TYR N N 823 127.197 127.197 123.761 3.436 19955 11963 1 16 . 1 1 823 823 TYR HA H 823 5.068 5.068 5.126 -0.058 19955 11964 1 16 . 1 1 823 823 TYR C C 823 176.327 176.327 174.480 1.847 19955 11965 1 16 . 1 1 823 823 TYR CA C 823 56.331 56.331 55.917 0.414 19955 11966 1 16 . 1 1 823 823 TYR CB C 823 38.285 38.285 41.399 -3.114 19955 11967 1 16 . 1 1 823 823 TYR H H 823 9.699 9.699 8.195 1.504 19955 11968 1 16 . 1 1 824 824 LYS N N 824 113.691 113.691 120.132 -6.441 19955 11969 1 16 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.214 0.450 19955 11970 1 16 . 1 1 824 824 LYS C C 824 174.044 174.044 173.566 0.478 19955 11971 1 16 . 1 1 824 824 LYS CA C 824 55.301 55.301 56.037 -0.736 19955 11972 1 16 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.952 0.152 19955 11973 1 16 . 1 1 824 824 LYS H H 824 7.904 7.904 7.006 0.898 19955 11974 1 16 . 1 1 825 825 GLN N N 825 122.998 122.998 126.019 -3.021 19955 11975 1 16 . 1 1 825 825 GLN HA H 825 4.614 4.614 3.868 0.746 19955 11976 1 16 . 1 1 825 825 GLN C C 825 175.372 175.372 174.772 0.600 19955 11977 1 16 . 1 1 825 825 GLN CA C 825 55.970 55.970 54.857 1.113 19955 11978 1 16 . 1 1 825 825 GLN CB C 825 29.014 29.014 28.822 0.192 19955 11979 1 16 . 1 1 825 825 GLN H H 825 9.091 9.091 8.551 0.540 19955 11980 1 16 . 1 1 826 826 ILE N N 826 126.911 126.911 126.601 0.310 19955 11981 1 16 . 1 1 826 826 ILE HA H 826 3.950 3.950 3.826 0.124 19955 11982 1 16 . 1 1 826 826 ILE C C 826 175.447 175.447 176.750 -1.303 19955 11983 1 16 . 1 1 826 826 ILE CA C 826 62.062 62.062 63.327 -1.265 19955 11984 1 16 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.305 -0.126 19955 11985 1 16 . 1 1 826 826 ILE H H 826 8.356 8.356 8.411 -0.055 19955 11986 1 16 . 1 1 827 827 ASP N N 827 118.575 118.575 115.989 2.586 19955 11987 1 16 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.828 -0.409 19955 11988 1 16 . 1 1 827 827 ASP C C 827 175.673 175.673 175.117 0.556 19955 11989 1 16 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.571 0.684 19955 11990 1 16 . 1 1 827 827 ASP CB C 827 40.120 40.120 43.177 -3.057 19955 11991 1 16 . 1 1 827 827 ASP H H 827 7.952 7.952 8.173 -0.221 19955 11992 1 16 . 1 1 828 828 GLN N N 828 113.633 113.633 118.325 -4.692 19955 11993 1 16 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.193 -0.321 19955 11994 1 16 . 1 1 828 828 GLN C C 828 175.745 175.745 176.864 -1.119 19955 11995 1 16 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.851 -0.590 19955 11996 1 16 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.596 -0.098 19955 11997 1 16 . 1 1 828 828 GLN H H 828 8.468 8.468 8.432 0.036 19955 11998 1 16 . 1 1 829 829 ASN N N 829 114.412 114.412 115.589 -1.177 19955 11999 1 16 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.689 0.053 19955 12000 1 16 . 1 1 829 829 ASN C C 829 175.652 175.652 173.643 2.009 19955 12001 1 16 . 1 1 829 829 ASN CA C 829 53.641 53.641 53.118 0.522 19955 12002 1 16 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.206 2.609 19955 12003 1 16 . 1 1 829 829 ASN H H 829 8.799 8.799 8.063 0.736 19955 12004 1 16 . 1 1 830 830 TRP N N 830 121.661 121.661 118.655 3.006 19955 12005 1 16 . 1 1 830 830 TRP HA H 830 4.810 4.810 5.077 -0.267 19955 12006 1 16 . 1 1 830 830 TRP C C 830 175.077 175.077 175.131 -0.054 19955 12007 1 16 . 1 1 830 830 TRP CA C 830 57.290 57.290 54.640 2.650 19955 12008 1 16 . 1 1 830 830 TRP CB C 830 32.570 32.570 30.404 2.166 19955 12009 1 16 . 1 1 830 830 TRP H H 830 8.033 8.033 7.456 0.577 19955 12010 1 16 . 1 1 831 831 TYR N N 831 120.163 120.163 121.133 -0.970 19955 12011 1 16 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.628 0.417 19955 12012 1 16 . 1 1 831 831 TYR C C 831 173.672 173.672 173.123 0.549 19955 12013 1 16 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.935 -0.563 19955 12014 1 16 . 1 1 831 831 TYR CB C 831 42.726 42.726 43.168 -0.442 19955 12015 1 16 . 1 1 831 831 TYR H H 831 8.721 8.721 9.425 -0.704 19955 12016 1 16 . 1 1 832 832 GLU N N 832 117.935 117.935 120.431 -2.496 19955 12017 1 16 . 1 1 832 832 GLU HA H 832 4.937 4.937 4.622 0.315 19955 12018 1 16 . 1 1 832 832 GLU C C 832 176.121 176.121 174.647 1.474 19955 12019 1 16 . 1 1 832 832 GLU CA C 832 54.404 54.404 53.902 0.502 19955 12020 1 16 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.842 0.113 19955 12021 1 16 . 1 1 832 832 GLU H H 832 8.696 8.696 8.038 0.658 19955 12022 1 16 . 1 1 833 833 GLY N N 833 115.171 115.171 111.191 3.980 19955 12023 1 16 . 1 1 833 833 GLY C C 833 168.962 168.962 171.955 -2.993 19955 12024 1 16 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.614 1.008 19955 12025 1 16 . 1 1 833 833 GLY H H 833 9.063 9.063 8.098 0.965 19955 12026 1 16 . 1 1 834 834 GLU N N 834 117.849 117.849 120.620 -2.771 19955 12027 1 16 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.577 0.112 19955 12028 1 16 . 1 1 834 834 GLU C C 834 175.077 175.077 175.406 -0.329 19955 12029 1 16 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.553 -0.587 19955 12030 1 16 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.208 1.836 19955 12031 1 16 . 1 1 834 834 GLU H H 834 8.708 8.708 9.196 -0.488 19955 12032 1 16 . 1 1 835 835 HIS N N 835 120.973 120.973 124.419 -3.446 19955 12033 1 16 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.252 -0.418 19955 12034 1 16 . 1 1 835 835 HIS C C 835 174.509 174.509 175.293 -0.784 19955 12035 1 16 . 1 1 835 835 HIS CA C 835 56.249 56.249 54.853 1.396 19955 12036 1 16 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.784 0.427 19955 12037 1 16 . 1 1 835 835 HIS H H 835 8.799 8.799 9.431 -0.632 19955 12038 1 16 . 1 1 836 836 HIS N N 836 125.728 125.728 126.778 -1.050 19955 12039 1 16 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.082 0.084 19955 12040 1 16 . 1 1 836 836 HIS C C 836 175.012 175.012 174.583 0.429 19955 12041 1 16 . 1 1 836 836 HIS CA C 836 55.689 55.689 56.462 -0.773 19955 12042 1 16 . 1 1 836 836 HIS CB C 836 27.994 27.994 29.055 -1.061 19955 12043 1 16 . 1 1 836 836 HIS H H 836 9.163 9.163 9.446 -0.283 19955 12044 1 16 . 1 1 837 837 GLY N N 837 104.909 104.909 101.924 2.985 19955 12045 1 16 . 1 1 837 837 GLY C C 837 173.235 173.235 174.494 -1.259 19955 12046 1 16 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.247 0.407 19955 12047 1 16 . 1 1 837 837 GLY H H 837 9.070 9.070 8.592 0.478 19955 12048 1 16 . 1 1 838 838 ARG N N 838 122.925 122.925 119.090 3.835 19955 12049 1 16 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.660 -0.067 19955 12050 1 16 . 1 1 838 838 ARG C C 838 173.682 173.682 174.170 -0.488 19955 12051 1 16 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.213 0.668 19955 12052 1 16 . 1 1 838 838 ARG CB C 838 32.058 32.058 32.630 -0.572 19955 12053 1 16 . 1 1 838 838 ARG H H 838 7.814 7.814 7.981 -0.167 19955 12054 1 16 . 1 1 839 839 VAL N N 839 123.572 123.572 120.180 3.392 19955 12055 1 16 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.417 -0.283 19955 12056 1 16 . 1 1 839 839 VAL C C 839 177.296 177.296 175.392 1.904 19955 12057 1 16 . 1 1 839 839 VAL CA C 839 60.200 60.200 59.754 0.446 19955 12058 1 16 . 1 1 839 839 VAL CB C 839 33.994 33.994 35.038 -1.044 19955 12059 1 16 . 1 1 839 839 VAL H H 839 8.360 8.360 8.295 0.065 19955 12060 1 16 . 1 1 840 840 GLY N N 840 114.006 114.006 115.551 -1.545 19955 12061 1 16 . 1 1 840 840 GLY C C 840 171.246 171.246 171.843 -0.597 19955 12062 1 16 . 1 1 840 840 GLY CA C 840 45.896 45.896 45.019 0.877 19955 12063 1 16 . 1 1 840 840 GLY H H 840 8.951 8.951 8.352 0.599 19955 12064 1 16 . 1 1 841 841 ILE N N 841 112.496 112.496 115.537 -3.041 19955 12065 1 16 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.796 1.085 19955 12066 1 16 . 1 1 841 841 ILE C C 841 176.120 176.120 173.946 2.174 19955 12067 1 16 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.757 0.611 19955 12068 1 16 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.920 -1.003 19955 12069 1 16 . 1 1 841 841 ILE H H 841 8.434 8.434 7.970 0.464 19955 12070 1 16 . 1 1 842 842 PHE N N 842 116.289 116.289 116.896 -0.607 19955 12071 1 16 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.694 0.277 19955 12072 1 16 . 1 1 842 842 PHE C C 842 171.777 171.777 172.420 -0.643 19955 12073 1 16 . 1 1 842 842 PHE CA C 842 54.265 54.265 54.896 -0.631 19955 12074 1 16 . 1 1 842 842 PHE CB C 842 37.515 37.515 39.354 -1.839 19955 12075 1 16 . 1 1 842 842 PHE H H 842 8.408 8.408 8.174 0.234 19955 12076 1 16 . 1 1 843 843 PRO HA H 843 3.934 3.934 5.247 -1.313 19955 12077 1 16 . 1 1 843 843 PRO C C 843 178.228 178.228 178.057 0.171 19955 12078 1 16 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.584 -0.971 19955 12079 1 16 . 1 1 843 843 PRO CB C 843 31.395 31.395 32.337 -0.942 19955 12080 1 16 . 1 1 844 844 ARG N N 844 122.291 122.291 123.377 -1.086 19955 12081 1 16 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.073 -0.129 19955 12082 1 16 . 1 1 844 844 ARG C C 844 178.171 178.171 176.647 1.524 19955 12083 1 16 . 1 1 844 844 ARG CA C 844 58.618 58.618 58.616 0.002 19955 12084 1 16 . 1 1 844 844 ARG CB C 844 30.297 30.297 28.857 1.440 19955 12085 1 16 . 1 1 844 844 ARG H H 844 7.906 7.906 8.469 -0.563 19955 12086 1 16 . 1 1 845 845 THR N N 845 105.068 105.068 110.887 -5.819 19955 12087 1 16 . 1 1 845 845 THR HA H 845 4.159 4.159 4.176 -0.017 19955 12088 1 16 . 1 1 845 845 THR C C 845 175.363 175.363 174.212 1.151 19955 12089 1 16 . 1 1 845 845 THR CA C 845 63.035 63.035 63.655 -0.620 19955 12090 1 16 . 1 1 845 845 THR CB C 845 69.022 69.022 69.535 -0.513 19955 12091 1 16 . 1 1 845 845 THR H H 845 7.907 7.907 7.959 -0.052 19955 12092 1 16 . 1 1 846 846 TYR N N 846 118.977 118.977 120.968 -1.991 19955 12093 1 16 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.672 -0.137 19955 12094 1 16 . 1 1 846 846 TYR C C 846 174.917 174.917 174.624 0.293 19955 12095 1 16 . 1 1 846 846 TYR CA C 846 58.751 58.751 58.962 -0.211 19955 12096 1 16 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.311 -1.256 19955 12097 1 16 . 1 1 846 846 TYR H H 846 7.611 7.611 7.760 -0.149 19955 12098 1 16 . 1 1 847 847 ILE N N 847 113.230 113.230 112.852 0.378 19955 12099 1 16 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.282 -0.183 19955 12100 1 16 . 1 1 847 847 ILE C C 847 174.141 174.141 174.157 -0.016 19955 12101 1 16 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.119 -0.665 19955 12102 1 16 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.523 -0.332 19955 12103 1 16 . 1 1 847 847 ILE H H 847 7.390 7.390 7.293 0.097 19955 12104 1 16 . 1 1 848 848 GLU N N 848 121.909 121.909 121.147 0.762 19955 12105 1 16 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.653 -0.105 19955 12106 1 16 . 1 1 848 848 GLU C C 848 175.193 175.193 175.241 -0.048 19955 12107 1 16 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.541 -0.877 19955 12108 1 16 . 1 1 848 848 GLU CB C 848 32.624 32.624 32.964 -0.340 19955 12109 1 16 . 1 1 848 848 GLU H H 848 8.786 8.786 8.676 0.110 19955 12110 1 16 . 1 1 849 849 LEU N N 849 126.431 126.431 128.247 -1.816 19955 12111 1 16 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.173 -0.082 19955 12112 1 16 . 1 1 849 849 LEU C C 849 177.019 177.019 176.799 0.220 19955 12113 1 16 . 1 1 849 849 LEU CA C 849 55.667 55.667 55.435 0.232 19955 12114 1 16 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.001 -0.459 19955 12115 1 16 . 1 1 849 849 LEU H H 849 8.730 8.730 8.661 0.069 19955 12116 1 16 . 1 1 850 850 LEU N N 850 123.942 123.942 124.007 -0.065 19955 12117 1 16 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.083 0.479 19955 12118 1 16 . 1 1 850 850 LEU C C 850 174.453 174.453 174.253 0.200 19955 12119 1 16 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.648 -1.843 19955 12120 1 16 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.168 -0.205 19955 12121 1 16 . 1 1 850 850 LEU H H 850 7.846 7.846 8.563 -0.717 19955 12122 1 16 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.217 0.112 19955 12123 1 16 . 1 1 852 852 PRO C C 852 176.580 176.580 176.587 -0.007 19955 12124 1 16 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.437 -0.534 19955 12125 1 16 . 1 1 852 852 PRO CB C 852 31.765 31.765 31.912 -0.147 19955 12126 1 16 . 1 1 853 853 ALA N N 853 124.102 124.102 119.150 4.952 19955 12127 1 16 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.172 0.068 19955 12128 1 16 . 1 1 853 853 ALA C C 853 177.767 177.767 176.672 1.095 19955 12129 1 16 . 1 1 853 853 ALA CA C 853 52.258 52.258 52.286 -0.028 19955 12130 1 16 . 1 1 853 853 ALA CB C 853 19.516 19.516 18.013 1.503 19955 12131 1 16 . 1 1 853 853 ALA H H 853 8.354 8.354 8.073 0.281 19955 12132 1 16 . 1 1 854 854 GLU N N 854 120.540 120.540 120.462 0.078 19955 12133 1 16 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.301 -0.098 19955 12134 1 16 . 1 1 854 854 GLU C C 854 176.402 176.402 176.778 -0.376 19955 12135 1 16 . 1 1 854 854 GLU CA C 854 56.380 56.380 55.721 0.659 19955 12136 1 16 . 1 1 854 854 GLU CB C 854 30.432 30.432 29.916 0.516 19955 12137 1 16 . 1 1 854 854 GLU H H 854 8.348 8.348 8.278 0.070 19955 12138 1 16 . 1 1 855 855 LYS N N 855 122.717 122.717 121.601 1.116 19955 12139 1 16 . 1 1 855 855 LYS HA H 855 4.215 4.215 3.954 0.261 19955 12140 1 16 . 1 1 855 855 LYS C C 855 176.078 176.078 176.278 -0.200 19955 12141 1 16 . 1 1 855 855 LYS CA C 855 56.018 56.018 57.430 -1.412 19955 12142 1 16 . 1 1 855 855 LYS CB C 855 33.187 33.187 30.744 2.443 19955 12143 1 16 . 1 1 855 855 LYS H H 855 8.305 8.305 8.887 -0.582 19955 12144 1 16 . 1 1 856 856 ALA N N 856 125.584 125.584 120.721 4.863 19955 12145 1 16 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.093 0.148 19955 12146 1 16 . 1 1 856 856 ALA C C 856 177.276 177.276 177.988 -0.712 19955 12147 1 16 . 1 1 856 856 ALA CA C 856 52.046 52.046 54.104 -2.058 19955 12148 1 16 . 1 1 856 856 ALA CB C 856 19.294 19.294 19.188 0.106 19955 12149 1 16 . 1 1 856 856 ALA H H 856 8.219 8.219 8.038 0.181 19955 12150 1 16 . 1 1 857 857 GLN N N 857 121.223 121.223 117.890 3.333 19955 12151 1 16 . 1 1 857 857 GLN C C 857 173.964 173.964 173.156 0.808 19955 12152 1 16 . 1 1 857 857 GLN CA C 857 53.490 53.490 52.277 1.213 19955 12153 1 16 . 1 1 857 857 GLN CB C 857 29.040 29.040 29.161 -0.121 19955 12154 1 16 . 1 1 857 857 GLN H H 857 8.333 8.333 8.209 0.124 19955 12155 1 16 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.346 -0.008 19955 12156 1 16 . 1 1 858 858 PRO C C 858 176.696 176.696 176.497 0.199 19955 12157 1 16 . 1 1 858 858 PRO CA C 858 62.910 62.910 63.218 -0.308 19955 12158 1 16 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.645 -0.570 19955 12159 1 16 . 1 1 859 859 LYS N N 859 121.891 121.891 122.532 -0.641 19955 12160 1 16 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.431 -0.241 19955 12161 1 16 . 1 1 859 859 LYS C C 859 176.382 176.382 177.468 -1.086 19955 12162 1 16 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.808 -0.678 19955 12163 1 16 . 1 1 859 859 LYS CB C 859 33.070 33.070 33.101 -0.031 19955 12164 1 16 . 1 1 859 859 LYS H H 859 8.355 8.355 8.320 0.035 19955 12165 1 16 . 1 1 860 860 LYS N N 860 123.002 123.002 120.232 2.770 19955 12166 1 16 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.188 0.057 19955 12167 1 16 . 1 1 860 860 LYS C C 860 176.131 176.131 176.609 -0.478 19955 12168 1 16 . 1 1 860 860 LYS CA C 860 55.852 55.852 57.465 -1.613 19955 12169 1 16 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.589 0.559 19955 12170 1 16 . 1 1 860 860 LYS H H 860 8.267 8.267 7.801 0.466 19955 12171 1 16 . 1 1 861 861 LEU N N 861 124.576 124.576 122.097 2.479 19955 12172 1 16 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.176 0.180 19955 12173 1 16 . 1 1 861 861 LEU C C 861 177.069 177.069 177.158 -0.089 19955 12174 1 16 . 1 1 861 861 LEU CA C 861 54.795 54.795 55.589 -0.794 19955 12175 1 16 . 1 1 861 861 LEU CB C 861 42.350 42.350 40.410 1.940 19955 12176 1 16 . 1 1 861 861 LEU H H 861 8.316 8.316 7.869 0.447 19955 12177 1 16 . 1 1 862 862 THR N N 862 117.878 117.878 119.570 -1.692 19955 12178 1 16 . 1 1 862 862 THR HA H 862 4.729 4.729 4.564 0.165 19955 12179 1 16 . 1 1 862 862 THR C C 862 172.639 172.639 173.509 -0.870 19955 12180 1 16 . 1 1 862 862 THR CA C 862 59.644 59.644 60.271 -0.627 19955 12181 1 16 . 1 1 862 862 THR CB C 862 69.476 69.476 68.853 0.623 19955 12182 1 16 . 1 1 862 862 THR H H 862 8.162 8.162 7.821 0.341 19955 12183 1 16 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.628 -0.260 19955 12184 1 16 . 1 1 863 863 PRO C C 863 176.753 176.753 175.471 1.282 19955 12185 1 16 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.833 0.359 19955 12186 1 16 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.266 -0.208 19955 12187 1 16 . 1 1 864 864 VAL N N 864 120.359 120.359 117.753 2.606 19955 12188 1 16 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.631 -0.646 19955 12189 1 16 . 1 1 864 864 VAL C C 864 175.964 175.964 174.856 1.108 19955 12190 1 16 . 1 1 864 864 VAL CA C 864 62.342 62.342 60.868 1.474 19955 12191 1 16 . 1 1 864 864 VAL CB C 864 32.521 32.521 34.799 -2.278 19955 12192 1 16 . 1 1 864 864 VAL H H 864 8.102 8.102 8.587 -0.485 19955 12193 1 16 . 1 1 865 865 GLN N N 865 124.642 124.642 120.885 3.757 19955 12194 1 16 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.713 -0.427 19955 12195 1 16 . 1 1 865 865 GLN C C 865 175.443 175.443 174.495 0.948 19955 12196 1 16 . 1 1 865 865 GLN CA C 865 55.595 55.595 54.834 0.761 19955 12197 1 16 . 1 1 865 865 GLN CB C 865 29.739 29.739 31.823 -2.084 19955 12198 1 16 . 1 1 865 865 GLN H H 865 8.333 8.333 8.281 0.052 19955 12199 1 16 . 1 1 866 866 VAL N N 866 123.436 123.436 123.062 0.374 19955 12200 1 16 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.434 -0.465 19955 12201 1 16 . 1 1 866 866 VAL C C 866 175.685 175.685 175.127 0.558 19955 12202 1 16 . 1 1 866 866 VAL CA C 866 62.398 62.398 61.788 0.610 19955 12203 1 16 . 1 1 866 866 VAL CB C 866 32.832 32.832 32.580 0.252 19955 12204 1 16 . 1 1 866 866 VAL H H 866 8.189 8.189 8.592 -0.404 19955 12205 1 16 . 1 1 867 867 LEU N N 867 127.515 127.515 124.200 3.315 19955 12206 1 16 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.973 -0.711 19955 12207 1 16 . 1 1 867 867 LEU C C 867 177.037 177.037 176.756 0.281 19955 12208 1 16 . 1 1 867 867 LEU CA C 867 55.688 55.688 54.956 0.732 19955 12209 1 16 . 1 1 867 867 LEU CB C 867 42.552 42.552 42.682 -0.130 19955 12210 1 16 . 1 1 867 867 LEU H H 867 8.679 8.679 8.446 0.233 19955 12211 1 16 . 1 1 868 868 GLU N N 868 120.794 120.794 118.807 1.987 19955 12212 1 16 . 1 1 868 868 GLU HA H 868 4.219 4.219 3.937 0.282 19955 12213 1 16 . 1 1 868 868 GLU C C 868 175.353 175.353 176.381 -1.028 19955 12214 1 16 . 1 1 868 868 GLU CA C 868 55.753 55.753 58.136 -2.383 19955 12215 1 16 . 1 1 868 868 GLU CB C 868 31.419 31.419 29.904 1.515 19955 12216 1 16 . 1 1 868 868 GLU H H 868 8.272 8.272 8.395 -0.123 19955 12217 1 16 . 1 1 869 869 TYR N N 869 121.165 121.165 115.937 5.228 19955 12218 1 16 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.773 -0.073 19955 12219 1 16 . 1 1 869 869 TYR C C 869 176.824 176.824 176.119 0.705 19955 12220 1 16 . 1 1 869 869 TYR CA C 869 56.809 56.809 56.858 -0.049 19955 12221 1 16 . 1 1 869 869 TYR CB C 869 38.650 38.650 41.049 -2.399 19955 12222 1 16 . 1 1 869 869 TYR H H 869 8.003 8.003 7.618 0.385 19955 12223 1 16 . 1 1 870 870 GLY N N 870 104.958 104.958 109.155 -4.197 19955 12224 1 16 . 1 1 870 870 GLY C C 870 173.846 173.846 173.715 0.131 19955 12225 1 16 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.367 -0.148 19955 12226 1 16 . 1 1 870 870 GLY H H 870 8.590 8.590 8.408 0.182 19955 12227 1 16 . 1 1 871 871 GLU N N 871 122.341 122.341 118.898 3.443 19955 12228 1 16 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.302 -0.080 19955 12229 1 16 . 1 1 871 871 GLU C C 871 173.827 173.827 174.750 -0.923 19955 12230 1 16 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.696 1.163 19955 12231 1 16 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.170 0.763 19955 12232 1 16 . 1 1 871 871 GLU H H 871 9.246 9.246 7.818 1.428 19955 12233 1 16 . 1 1 872 872 ALA N N 872 126.709 126.709 123.733 2.976 19955 12234 1 16 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.241 -0.137 19955 12235 1 16 . 1 1 872 872 ALA C C 872 174.022 174.022 174.757 -0.735 19955 12236 1 16 . 1 1 872 872 ALA CA C 872 50.135 50.135 51.266 -1.131 19955 12237 1 16 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.752 1.746 19955 12238 1 16 . 1 1 872 872 ALA H H 872 9.266 9.266 8.965 0.301 19955 12239 1 16 . 1 1 873 873 ILE N N 873 118.554 118.554 121.076 -2.522 19955 12240 1 16 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.945 -0.331 19955 12241 1 16 . 1 1 873 873 ILE C C 873 176.132 176.132 175.405 0.727 19955 12242 1 16 . 1 1 873 873 ILE CA C 873 58.788 58.788 59.407 -0.619 19955 12243 1 16 . 1 1 873 873 ILE CB C 873 40.630 40.630 41.918 -1.288 19955 12244 1 16 . 1 1 873 873 ILE H H 873 8.522 8.522 8.140 0.382 19955 12245 1 16 . 1 1 874 874 ALA N N 874 129.739 129.739 131.395 -1.656 19955 12246 1 16 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.232 -0.195 19955 12247 1 16 . 1 1 874 874 ALA C C 874 178.259 178.259 177.461 0.798 19955 12248 1 16 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.725 0.612 19955 12249 1 16 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.054 2.224 19955 12250 1 16 . 1 1 874 874 ALA H H 874 8.608 8.608 8.315 0.293 19955 12251 1 16 . 1 1 875 875 LYS N N 875 127.308 127.308 124.922 2.386 19955 12252 1 16 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.808 0.216 19955 12253 1 16 . 1 1 875 875 LYS C C 875 174.098 174.098 176.214 -2.116 19955 12254 1 16 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.549 -1.450 19955 12255 1 16 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.461 1.523 19955 12256 1 16 . 1 1 875 875 LYS H H 875 9.298 9.298 8.218 1.080 19955 12257 1 16 . 1 1 876 876 PHE N N 876 113.423 113.423 116.978 -3.555 19955 12258 1 16 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.597 0.314 19955 12259 1 16 . 1 1 876 876 PHE C C 876 174.050 174.050 175.243 -1.193 19955 12260 1 16 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.634 -2.789 19955 12261 1 16 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.142 2.600 19955 12262 1 16 . 1 1 876 876 PHE H H 876 7.328 7.328 7.390 -0.062 19955 12263 1 16 . 1 1 877 877 ASN N N 877 116.437 116.437 121.484 -5.047 19955 12264 1 16 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.633 0.156 19955 12265 1 16 . 1 1 877 877 ASN C C 877 174.454 174.454 174.359 0.095 19955 12266 1 16 . 1 1 877 877 ASN CA C 877 53.535 53.535 54.065 -0.530 19955 12267 1 16 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.890 -0.683 19955 12268 1 16 . 1 1 877 877 ASN H H 877 8.666 8.666 8.642 0.024 19955 12269 1 16 . 1 1 878 878 PHE N N 878 123.179 123.179 127.955 -4.776 19955 12270 1 16 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.836 -0.171 19955 12271 1 16 . 1 1 878 878 PHE C C 878 173.027 173.027 172.596 0.431 19955 12272 1 16 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.405 -0.301 19955 12273 1 16 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.962 -0.876 19955 12274 1 16 . 1 1 878 878 PHE H H 878 8.433 8.433 8.728 -0.295 19955 12275 1 16 . 1 1 879 879 ASN N N 879 127.113 127.113 122.822 4.291 19955 12276 1 16 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.430 0.132 19955 12277 1 16 . 1 1 879 879 ASN C C 879 173.174 173.174 173.388 -0.214 19955 12278 1 16 . 1 1 879 879 ASN CA C 879 50.930 50.930 50.662 0.268 19955 12279 1 16 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.858 -0.471 19955 12280 1 16 . 1 1 879 879 ASN H H 879 8.000 8.000 7.716 0.284 19955 12281 1 16 . 1 1 880 880 GLY N N 880 110.949 110.949 107.444 3.505 19955 12282 1 16 . 1 1 880 880 GLY C C 880 173.383 173.383 174.090 -0.707 19955 12283 1 16 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.506 1.152 19955 12284 1 16 . 1 1 880 880 GLY H H 880 7.997 7.997 8.170 -0.173 19955 12285 1 16 . 1 1 881 881 ASP N N 881 122.408 122.408 123.005 -0.597 19955 12286 1 16 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.811 -0.178 19955 12287 1 16 . 1 1 881 881 ASP C C 881 176.286 176.286 176.445 -0.159 19955 12288 1 16 . 1 1 881 881 ASP CA C 881 55.196 55.196 55.137 0.059 19955 12289 1 16 . 1 1 881 881 ASP CB C 881 43.140 43.140 42.068 1.072 19955 12290 1 16 . 1 1 881 881 ASP H H 881 8.796 8.796 8.473 0.323 19955 12291 1 16 . 1 1 882 882 THR N N 882 108.354 108.354 110.353 -1.999 19955 12292 1 16 . 1 1 882 882 THR HA H 882 4.583 4.583 4.722 -0.139 19955 12293 1 16 . 1 1 882 882 THR C C 882 175.948 175.948 175.502 0.446 19955 12294 1 16 . 1 1 882 882 THR CA C 882 60.352 60.352 60.083 0.269 19955 12295 1 16 . 1 1 882 882 THR CB C 882 71.649 71.649 71.494 0.155 19955 12296 1 16 . 1 1 882 882 THR H H 882 7.541 7.541 7.555 -0.014 19955 12297 1 16 . 1 1 883 883 GLN N N 883 118.622 118.622 119.144 -0.522 19955 12298 1 16 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.129 0.023 19955 12299 1 16 . 1 1 883 883 GLN C C 883 176.478 176.478 176.410 0.068 19955 12300 1 16 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.607 -0.411 19955 12301 1 16 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.374 0.295 19955 12302 1 16 . 1 1 883 883 GLN H H 883 8.710 8.710 8.716 -0.006 19955 12303 1 16 . 1 1 884 884 VAL N N 884 111.473 111.473 113.765 -2.292 19955 12304 1 16 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.896 0.311 19955 12305 1 16 . 1 1 884 884 VAL C C 884 176.430 176.430 175.838 0.592 19955 12306 1 16 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.687 -1.394 19955 12307 1 16 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.214 0.710 19955 12308 1 16 . 1 1 884 884 VAL H H 884 7.260 7.260 8.037 -0.777 19955 12309 1 16 . 1 1 885 885 GLU N N 885 121.794 121.794 119.318 2.476 19955 12310 1 16 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.772 0.136 19955 12311 1 16 . 1 1 885 885 GLU C C 885 175.369 175.369 175.840 -0.471 19955 12312 1 16 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.096 0.214 19955 12313 1 16 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.839 0.950 19955 12314 1 16 . 1 1 885 885 GLU H H 885 7.455 7.455 7.685 -0.230 19955 12315 1 16 . 1 1 886 886 MET N N 886 125.473 125.473 123.590 1.883 19955 12316 1 16 . 1 1 886 886 MET HA H 886 4.534 4.534 4.749 -0.215 19955 12317 1 16 . 1 1 886 886 MET C C 886 172.841 172.841 176.036 -3.195 19955 12318 1 16 . 1 1 886 886 MET CA C 886 54.129 54.129 54.581 -0.452 19955 12319 1 16 . 1 1 886 886 MET CB C 886 35.157 35.157 33.588 1.569 19955 12320 1 16 . 1 1 886 886 MET H H 886 8.996 8.996 8.955 0.041 19955 12321 1 16 . 1 1 887 887 SER N N 887 118.425 118.425 115.800 2.625 19955 12322 1 16 . 1 1 887 887 SER HA H 887 4.402 4.402 4.401 0.001 19955 12323 1 16 . 1 1 887 887 SER C C 887 174.667 174.667 173.085 1.582 19955 12324 1 16 . 1 1 887 887 SER CA C 887 58.612 58.612 57.277 1.335 19955 12325 1 16 . 1 1 887 887 SER CB C 887 64.186 64.186 65.444 -1.258 19955 12326 1 16 . 1 1 887 887 SER H H 887 7.888 7.888 8.170 -0.282 19955 12327 1 16 . 1 1 888 888 PHE N N 888 116.363 116.363 116.763 -0.400 19955 12328 1 16 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.909 -0.395 19955 12329 1 16 . 1 1 888 888 PHE C C 888 174.756 174.756 173.447 1.309 19955 12330 1 16 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.786 -0.250 19955 12331 1 16 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.346 -0.544 19955 12332 1 16 . 1 1 888 888 PHE H H 888 8.780 8.780 8.231 0.549 19955 12333 1 16 . 1 1 889 889 ARG N N 889 121.944 121.944 119.905 2.039 19955 12334 1 16 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.777 0.195 19955 12335 1 16 . 1 1 889 889 ARG C C 889 175.318 175.318 175.868 -0.550 19955 12336 1 16 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.070 -0.772 19955 12337 1 16 . 1 1 889 889 ARG CB C 889 32.886 32.886 31.878 1.008 19955 12338 1 16 . 1 1 889 889 ARG H H 889 10.187 10.187 8.811 1.376 19955 12339 1 16 . 1 1 890 890 LYS N N 890 119.991 119.991 121.403 -1.412 19955 12340 1 16 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.940 -0.692 19955 12341 1 16 . 1 1 890 890 LYS C C 890 176.504 176.504 177.876 -1.372 19955 12342 1 16 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.212 0.184 19955 12343 1 16 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.306 0.523 19955 12344 1 16 . 1 1 890 890 LYS H H 890 8.360 8.360 8.370 -0.010 19955 12345 1 16 . 1 1 891 891 GLY N N 891 113.950 113.950 115.151 -1.201 19955 12346 1 16 . 1 1 891 891 GLY C C 891 174.298 174.298 174.381 -0.083 19955 12347 1 16 . 1 1 891 891 GLY CA C 891 44.668 44.668 44.897 -0.229 19955 12348 1 16 . 1 1 891 891 GLY H H 891 8.673 8.673 8.864 -0.191 19955 12349 1 16 . 1 1 892 892 GLU N N 892 119.511 119.511 121.495 -1.984 19955 12350 1 16 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.323 -0.207 19955 12351 1 16 . 1 1 892 892 GLU C C 892 174.618 174.618 176.212 -1.594 19955 12352 1 16 . 1 1 892 892 GLU CA C 892 59.515 59.515 56.268 3.247 19955 12353 1 16 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.467 0.114 19955 12354 1 16 . 1 1 892 892 GLU H H 892 7.856 7.856 7.870 -0.014 19955 12355 1 16 . 1 1 893 893 ARG N N 893 122.979 122.979 121.552 1.427 19955 12356 1 16 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.641 -0.044 19955 12357 1 16 . 1 1 893 893 ARG C C 893 174.836 174.836 176.102 -1.266 19955 12358 1 16 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.451 -0.923 19955 12359 1 16 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.347 -0.307 19955 12360 1 16 . 1 1 893 893 ARG H H 893 8.120 8.120 8.538 -0.418 19955 12361 1 16 . 1 1 894 894 ILE N N 894 122.659 122.659 123.487 -0.828 19955 12362 1 16 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.321 -0.258 19955 12363 1 16 . 1 1 894 894 ILE C C 894 175.789 175.789 174.462 1.327 19955 12364 1 16 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.222 0.044 19955 12365 1 16 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.010 1.417 19955 12366 1 16 . 1 1 894 894 ILE H H 894 8.586 8.586 9.072 -0.486 19955 12367 1 16 . 1 1 895 895 THR N N 895 124.709 124.709 122.503 2.206 19955 12368 1 16 . 1 1 895 895 THR HA H 895 4.441 4.441 4.896 -0.455 19955 12369 1 16 . 1 1 895 895 THR C C 895 174.124 174.124 174.311 -0.187 19955 12370 1 16 . 1 1 895 895 THR CA C 895 62.837 62.837 61.223 1.614 19955 12371 1 16 . 1 1 895 895 THR CB C 895 69.246 69.246 69.438 -0.192 19955 12372 1 16 . 1 1 895 895 THR H H 895 9.078 9.078 8.925 0.153 19955 12373 1 16 . 1 1 896 896 LEU N N 896 122.648 122.648 128.722 -6.074 19955 12374 1 16 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.543 -0.154 19955 12375 1 16 . 1 1 896 896 LEU C C 896 174.836 174.836 177.025 -2.189 19955 12376 1 16 . 1 1 896 896 LEU H H 896 8.583 8.583 8.235 0.348 19955 12377 1 16 . 1 1 897 897 LEU N N 897 124.502 124.502 122.606 1.896 19955 12378 1 16 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.863 -0.531 19955 12379 1 16 . 1 1 897 897 LEU C C 897 176.645 176.645 176.784 -0.139 19955 12380 1 16 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.587 0.640 19955 12381 1 16 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.397 -1.066 19955 12382 1 16 . 1 1 897 897 LEU H H 897 8.984 8.984 8.157 0.827 19955 12383 1 16 . 1 1 898 898 ARG N N 898 108.422 108.422 120.570 -12.148 19955 12384 1 16 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.643 -0.201 19955 12385 1 16 . 1 1 898 898 ARG C C 898 173.645 173.645 173.985 -0.340 19955 12386 1 16 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.745 -0.504 19955 12387 1 16 . 1 1 898 898 ARG CB C 898 31.609 31.609 33.577 -1.968 19955 12388 1 16 . 1 1 898 898 ARG H H 898 7.413 7.413 7.760 -0.347 19955 12389 1 16 . 1 1 899 899 GLN N N 899 124.503 124.503 125.572 -1.069 19955 12390 1 16 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.606 -0.414 19955 12391 1 16 . 1 1 899 899 GLN C C 899 175.142 175.142 175.151 -0.009 19955 12392 1 16 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.200 1.096 19955 12393 1 16 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.670 -1.181 19955 12394 1 16 . 1 1 899 899 GLN H H 899 9.301 9.301 8.820 0.481 19955 12395 1 16 . 1 1 900 900 VAL N N 900 129.109 129.109 126.526 2.583 19955 12396 1 16 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.934 -0.268 19955 12397 1 16 . 1 1 900 900 VAL C C 900 175.298 175.298 176.406 -1.108 19955 12398 1 16 . 1 1 900 900 VAL CA C 900 64.773 64.773 64.198 0.575 19955 12399 1 16 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.303 0.518 19955 12400 1 16 . 1 1 900 900 VAL H H 900 8.475 8.475 8.949 -0.474 19955 12401 1 16 . 1 1 901 901 ASP N N 901 118.573 118.573 116.296 2.277 19955 12402 1 16 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.588 -0.192 19955 12403 1 16 . 1 1 901 901 ASP C C 901 175.386 175.386 175.881 -0.495 19955 12404 1 16 . 1 1 901 901 ASP CA C 901 53.300 53.300 54.405 -1.105 19955 12405 1 16 . 1 1 901 901 ASP CB C 901 40.163 40.163 40.633 -0.470 19955 12406 1 16 . 1 1 901 901 ASP H H 901 8.038 8.038 8.085 -0.047 19955 12407 1 16 . 1 1 902 902 GLU N N 902 114.492 114.492 118.769 -4.277 19955 12408 1 16 . 1 1 902 902 GLU HA H 902 3.832 3.832 3.967 -0.135 19955 12409 1 16 . 1 1 902 902 GLU C C 902 175.973 175.973 175.632 0.341 19955 12410 1 16 . 1 1 902 902 GLU CA C 902 59.095 59.095 58.776 0.319 19955 12411 1 16 . 1 1 902 902 GLU CB C 902 29.507 29.507 29.373 0.134 19955 12412 1 16 . 1 1 902 902 GLU H H 902 8.784 8.784 8.821 -0.037 19955 12413 1 16 . 1 1 903 903 ASN N N 903 113.835 113.835 117.737 -3.902 19955 12414 1 16 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.802 0.062 19955 12415 1 16 . 1 1 903 903 ASN C C 903 175.238 175.238 172.888 2.350 19955 12416 1 16 . 1 1 903 903 ASN CA C 903 53.800 53.800 53.289 0.511 19955 12417 1 16 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.866 2.344 19955 12418 1 16 . 1 1 903 903 ASN H H 903 8.763 8.763 8.259 0.504 19955 12419 1 16 . 1 1 904 904 TRP N N 904 121.517 121.517 118.942 2.575 19955 12420 1 16 . 1 1 904 904 TRP HA H 904 4.950 4.950 5.054 -0.104 19955 12421 1 16 . 1 1 904 904 TRP C C 904 175.223 175.223 174.423 0.800 19955 12422 1 16 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.573 0.606 19955 12423 1 16 . 1 1 904 904 TRP CB C 904 31.286 31.286 33.168 -1.882 19955 12424 1 16 . 1 1 904 904 TRP H H 904 8.141 8.141 7.680 0.461 19955 12425 1 16 . 1 1 905 905 TYR N N 905 121.365 121.365 115.677 5.688 19955 12426 1 16 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.098 -0.182 19955 12427 1 16 . 1 1 905 905 TYR C C 905 173.702 173.702 172.656 1.046 19955 12428 1 16 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.542 -0.083 19955 12429 1 16 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.359 2.042 19955 12430 1 16 . 1 1 905 905 TYR H H 905 8.550 8.550 8.420 0.130 19955 12431 1 16 . 1 1 906 906 GLU N N 906 117.356 117.356 121.436 -4.080 19955 12432 1 16 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.701 0.184 19955 12433 1 16 . 1 1 906 906 GLU C C 906 176.159 176.159 175.409 0.750 19955 12434 1 16 . 1 1 906 906 GLU CA C 906 54.795 54.795 53.920 0.875 19955 12435 1 16 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.509 -0.919 19955 12436 1 16 . 1 1 906 906 GLU H H 906 8.707 8.707 9.115 -0.408 19955 12437 1 16 . 1 1 907 907 GLY N N 907 114.506 114.506 111.575 2.931 19955 12438 1 16 . 1 1 907 907 GLY C C 907 169.408 169.408 171.883 -2.475 19955 12439 1 16 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.180 0.554 19955 12440 1 16 . 1 1 907 907 GLY H H 907 9.334 9.334 8.556 0.778 19955 12441 1 16 . 1 1 908 908 ARG N N 908 114.660 114.660 116.942 -2.282 19955 12442 1 16 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.367 0.010 19955 12443 1 16 . 1 1 908 908 ARG C C 908 173.981 173.981 174.843 -0.862 19955 12444 1 16 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.262 0.015 19955 12445 1 16 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.187 0.402 19955 12446 1 16 . 1 1 908 908 ARG H H 908 8.694 8.694 8.921 -0.227 19955 12447 1 16 . 1 1 909 909 ILE N N 909 124.579 124.579 122.270 2.309 19955 12448 1 16 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.557 0.362 19955 12449 1 16 . 1 1 909 909 ILE C C 909 175.024 175.024 174.788 0.236 19955 12450 1 16 . 1 1 909 909 ILE CA C 909 56.699 56.699 59.049 -2.350 19955 12451 1 16 . 1 1 909 909 ILE CB C 909 35.387 35.387 38.347 -2.960 19955 12452 1 16 . 1 1 909 909 ILE H H 909 7.757 7.757 8.207 -0.450 19955 12453 1 16 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.146 0.483 19955 12454 1 16 . 1 1 910 910 PRO C C 910 176.353 176.353 177.628 -1.275 19955 12455 1 16 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.338 -11.540 19955 12456 1 16 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.968 -1.560 19955 12457 1 16 . 1 1 911 911 GLY N N 911 118.118 118.118 110.396 7.722 19955 12458 1 16 . 1 1 911 911 GLY C C 911 173.987 173.987 174.286 -0.299 19955 12459 1 16 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.542 -0.210 19955 12460 1 16 . 1 1 911 911 GLY H H 911 7.869 7.869 8.532 -0.663 19955 12461 1 16 . 1 1 912 912 THR N N 912 109.041 109.041 109.909 -0.868 19955 12462 1 16 . 1 1 912 912 THR HA H 912 4.469 4.469 3.820 0.649 19955 12463 1 16 . 1 1 912 912 THR C C 912 174.144 174.144 174.672 -0.528 19955 12464 1 16 . 1 1 912 912 THR CA C 912 60.194 60.194 63.169 -2.975 19955 12465 1 16 . 1 1 912 912 THR CB C 912 72.812 72.812 67.895 4.917 19955 12466 1 16 . 1 1 912 912 THR H H 912 7.743 7.743 7.976 -0.233 19955 12467 1 16 . 1 1 913 913 SER N N 913 126.292 126.292 115.534 10.758 19955 12468 1 16 . 1 1 913 913 SER HA H 913 4.671 4.671 4.215 0.456 19955 12469 1 16 . 1 1 913 913 SER C C 913 174.781 174.781 174.418 0.363 19955 12470 1 16 . 1 1 913 913 SER CA C 913 57.411 57.411 61.294 -3.883 19955 12471 1 16 . 1 1 913 913 SER CB C 913 63.258 63.258 63.678 -0.420 19955 12472 1 16 . 1 1 913 913 SER H H 913 7.896 7.896 8.144 -0.248 19955 12473 1 16 . 1 1 914 914 ARG N N 914 124.284 124.284 117.509 6.775 19955 12474 1 16 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.689 -0.436 19955 12475 1 16 . 1 1 914 914 ARG C C 914 174.712 174.712 173.954 0.758 19955 12476 1 16 . 1 1 914 914 ARG CA C 914 56.960 56.960 54.902 2.058 19955 12477 1 16 . 1 1 914 914 ARG CB C 914 30.694 30.694 33.077 -2.383 19955 12478 1 16 . 1 1 914 914 ARG H H 914 8.631 8.631 8.124 0.507 19955 12479 1 16 . 1 1 915 915 GLN N N 915 124.297 124.297 121.204 3.093 19955 12480 1 16 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.297 0.084 19955 12481 1 16 . 1 1 915 915 GLN C C 915 174.377 174.377 174.307 0.070 19955 12482 1 16 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.922 0.644 19955 12483 1 16 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.302 -1.296 19955 12484 1 16 . 1 1 915 915 GLN H H 915 8.054 8.054 8.736 -0.682 19955 12485 1 16 . 1 1 916 916 GLY N N 916 112.028 112.028 110.936 1.092 19955 12486 1 16 . 1 1 916 916 GLY C C 916 172.185 172.185 171.197 0.988 19955 12487 1 16 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.472 -0.225 19955 12488 1 16 . 1 1 916 916 GLY H H 916 8.818 8.818 8.688 0.130 19955 12489 1 16 . 1 1 917 917 ILE N N 917 113.634 113.634 115.432 -1.798 19955 12490 1 16 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.509 1.519 19955 12491 1 16 . 1 1 917 917 ILE C C 917 176.584 176.584 173.315 3.269 19955 12492 1 16 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.321 1.658 19955 12493 1 16 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.307 0.918 19955 12494 1 16 . 1 1 917 917 ILE H H 917 8.714 8.714 7.362 1.352 19955 12495 1 16 . 1 1 918 918 PHE N N 918 115.806 115.806 119.283 -3.477 19955 12496 1 16 . 1 1 918 918 PHE C C 918 170.959 170.959 172.732 -1.773 19955 12497 1 16 . 1 1 918 918 PHE CA C 918 55.619 55.619 54.815 0.805 19955 12498 1 16 . 1 1 918 918 PHE CB C 918 38.622 38.622 40.154 -1.532 19955 12499 1 16 . 1 1 918 918 PHE H H 918 8.573 8.573 7.531 1.042 19955 12500 1 16 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.356 -0.256 19955 12501 1 16 . 1 1 919 919 PRO C C 919 178.655 178.655 177.492 1.163 19955 12502 1 16 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.859 -0.861 19955 12503 1 16 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.800 -0.590 19955 12504 1 16 . 1 1 920 920 ILE N N 920 123.677 123.677 122.771 0.906 19955 12505 1 16 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.753 -0.062 19955 12506 1 16 . 1 1 920 920 ILE C C 920 176.798 176.798 178.132 -1.334 19955 12507 1 16 . 1 1 920 920 ILE CA C 920 63.373 63.373 64.953 -1.580 19955 12508 1 16 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.755 1.096 19955 12509 1 16 . 1 1 920 920 ILE H H 920 7.949 7.949 8.055 -0.106 19955 12510 1 16 . 1 1 921 921 THR N N 921 106.993 106.993 116.369 -9.376 19955 12511 1 16 . 1 1 921 921 THR HA H 921 4.294 4.294 3.995 0.299 19955 12512 1 16 . 1 1 921 921 THR C C 921 175.639 175.639 176.023 -0.384 19955 12513 1 16 . 1 1 921 921 THR CA C 921 62.983 62.983 66.763 -3.780 19955 12514 1 16 . 1 1 921 921 THR CB C 921 69.104 69.104 68.922 0.181 19955 12515 1 16 . 1 1 921 921 THR H H 921 7.500 7.500 7.857 -0.357 19955 12516 1 16 . 1 1 922 922 TYR N N 922 118.600 118.600 118.132 0.468 19955 12517 1 16 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.718 -0.078 19955 12518 1 16 . 1 1 922 922 TYR C C 922 175.481 175.481 175.188 0.293 19955 12519 1 16 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.803 1.645 19955 12520 1 16 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.047 0.553 19955 12521 1 16 . 1 1 922 922 TYR H H 922 7.836 7.836 7.958 -0.122 19955 12522 1 16 . 1 1 923 923 VAL N N 923 109.058 109.058 112.831 -3.773 19955 12523 1 16 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.675 0.284 19955 12524 1 16 . 1 1 923 923 VAL C C 923 172.905 172.905 174.638 -1.733 19955 12525 1 16 . 1 1 923 923 VAL CA C 923 58.490 58.490 58.463 0.027 19955 12526 1 16 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.010 0.278 19955 12527 1 16 . 1 1 923 923 VAL H H 923 7.701 7.701 7.500 0.201 19955 12528 1 16 . 1 1 924 924 ASP N N 924 120.115 120.115 121.918 -1.803 19955 12529 1 16 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.783 0.151 19955 12530 1 16 . 1 1 924 924 ASP C C 924 175.863 175.863 175.162 0.701 19955 12531 1 16 . 1 1 924 924 ASP CA C 924 52.934 52.934 52.213 0.721 19955 12532 1 16 . 1 1 924 924 ASP CB C 924 42.263 42.263 43.039 -0.776 19955 12533 1 16 . 1 1 924 924 ASP H H 924 8.658 8.658 8.274 0.384 19955 12534 1 16 . 1 1 925 925 VAL N N 925 125.090 125.090 126.643 -1.553 19955 12535 1 16 . 1 1 925 925 VAL HA H 925 3.679 3.679 3.928 -0.249 19955 12536 1 16 . 1 1 925 925 VAL C C 925 175.620 175.620 175.652 -0.032 19955 12537 1 16 . 1 1 925 925 VAL CA C 925 64.215 64.215 62.913 1.302 19955 12538 1 16 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.975 -0.254 19955 12539 1 16 . 1 1 925 925 VAL H H 925 8.911 8.911 8.626 0.285 19955 12540 1 16 . 1 1 926 926 ILE N N 926 129.390 129.390 127.574 1.816 19955 12541 1 16 . 1 1 926 926 ILE HA H 926 4.037 4.037 4.105 -0.068 19955 12542 1 16 . 1 1 926 926 ILE C C 926 175.683 175.683 176.458 -0.775 19955 12543 1 16 . 1 1 926 926 ILE CA C 926 61.578 61.578 61.958 -0.380 19955 12544 1 16 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.151 0.396 19955 12545 1 16 . 1 1 926 926 ILE H H 926 8.519 8.519 8.296 0.223 19955 12546 1 16 . 1 1 927 927 LYS N N 927 122.060 122.060 119.144 2.916 19955 12547 1 16 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.528 0.084 19955 12548 1 16 . 1 1 927 927 LYS C C 927 175.204 175.204 175.364 -0.160 19955 12549 1 16 . 1 1 927 927 LYS CA C 927 55.597 55.597 54.755 0.842 19955 12550 1 16 . 1 1 927 927 LYS CB C 927 35.633 35.633 34.993 0.640 19955 12551 1 16 . 1 1 927 927 LYS H H 927 8.017 8.017 7.771 0.246 19955 12552 1 16 . 1 1 928 928 ARG N N 928 126.441 126.441 123.818 2.623 19955 12553 1 16 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.389 0.038 19955 12554 1 16 . 1 1 928 928 ARG C C 928 173.959 173.959 175.591 -1.632 19955 12555 1 16 . 1 1 928 928 ARG CA C 928 55.488 55.488 55.218 0.271 19955 12556 1 16 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.300 0.413 19955 12557 1 16 . 1 1 928 928 ARG H H 928 8.729 8.729 8.595 0.134 19955 12558 1 16 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.260 0.253 19955 12559 1 16 . 1 1 929 929 PRO CA C 929 62.718 62.718 65.293 -2.575 19955 12560 1 16 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.041 -0.425 19955 12561 1 17 . 1 1 790 790 MET HA H 790 4.396 4.396 4.530 -0.134 19955 12562 1 17 . 1 1 790 790 MET CA C 790 55.378 55.378 55.191 0.188 19955 12563 1 17 . 1 1 790 790 MET CB C 790 32.960 32.960 33.368 -0.408 19955 12564 1 17 . 1 1 791 791 SER N N 791 118.373 118.373 117.880 0.493 19955 12565 1 17 . 1 1 791 791 SER HA H 791 4.362 4.362 4.530 -0.168 19955 12566 1 17 . 1 1 791 791 SER C C 791 175.043 175.043 174.327 0.716 19955 12567 1 17 . 1 1 791 791 SER CA C 791 58.532 58.532 58.388 0.145 19955 12568 1 17 . 1 1 791 791 SER CB C 791 63.749 63.749 63.922 -0.173 19955 12569 1 17 . 1 1 791 791 SER H H 791 8.657 8.657 8.217 0.440 19955 12570 1 17 . 1 1 792 792 GLY N N 792 111.254 111.254 110.633 0.621 19955 12571 1 17 . 1 1 792 792 GLY C C 792 174.362 174.362 173.469 0.893 19955 12572 1 17 . 1 1 792 792 GLY CA C 792 45.539 45.539 44.999 0.540 19955 12573 1 17 . 1 1 792 792 GLY H H 792 8.560 8.560 8.437 0.123 19955 12574 1 17 . 1 1 793 793 SER N N 793 115.369 115.369 116.483 -1.114 19955 12575 1 17 . 1 1 793 793 SER HA H 793 4.409 4.409 4.459 -0.050 19955 12576 1 17 . 1 1 793 793 SER C C 793 174.396 174.396 174.191 0.205 19955 12577 1 17 . 1 1 793 793 SER CA C 793 58.485 58.485 58.737 -0.252 19955 12578 1 17 . 1 1 793 793 SER CB C 793 63.845 63.845 64.255 -0.410 19955 12579 1 17 . 1 1 793 793 SER H H 793 8.102 8.102 8.291 -0.189 19955 12580 1 17 . 1 1 794 794 GLU N N 794 122.660 122.660 121.354 1.306 19955 12581 1 17 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.607 -0.397 19955 12582 1 17 . 1 1 794 794 GLU C C 794 175.970 175.970 174.766 1.204 19955 12583 1 17 . 1 1 794 794 GLU CA C 794 56.849 56.849 56.495 0.354 19955 12584 1 17 . 1 1 794 794 GLU CB C 794 30.261 30.261 31.750 -1.489 19955 12585 1 17 . 1 1 794 794 GLU H H 794 8.565 8.565 8.671 -0.106 19955 12586 1 17 . 1 1 795 795 MET N N 795 119.544 119.544 119.130 0.414 19955 12587 1 17 . 1 1 795 795 MET HA H 795 4.653 4.653 5.645 -0.992 19955 12588 1 17 . 1 1 795 795 MET C C 795 175.590 175.590 175.052 0.538 19955 12589 1 17 . 1 1 795 795 MET CA C 795 55.135 55.135 54.392 0.743 19955 12590 1 17 . 1 1 795 795 MET CB C 795 32.378 32.378 36.624 -4.246 19955 12591 1 17 . 1 1 795 795 MET H H 795 8.156 8.156 8.418 -0.262 19955 12592 1 17 . 1 1 796 796 ARG N N 796 122.177 122.177 120.522 1.655 19955 12593 1 17 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.958 -0.047 19955 12594 1 17 . 1 1 796 796 ARG C C 796 173.378 173.378 173.860 -0.482 19955 12595 1 17 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.000 -0.065 19955 12596 1 17 . 1 1 796 796 ARG CB C 796 32.172 32.172 33.377 -1.206 19955 12597 1 17 . 1 1 796 796 ARG H H 796 8.358 8.358 8.574 -0.216 19955 12598 1 17 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.393 0.303 19955 12599 1 17 . 1 1 797 797 PRO C C 797 175.805 175.805 175.265 0.540 19955 12600 1 17 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.377 -0.220 19955 12601 1 17 . 1 1 797 797 PRO CB C 797 32.377 32.377 31.891 0.486 19955 12602 1 17 . 1 1 798 798 ALA N N 798 123.383 123.383 126.456 -3.073 19955 12603 1 17 . 1 1 798 798 ALA HA H 798 4.699 4.699 5.076 -0.377 19955 12604 1 17 . 1 1 798 798 ALA C C 798 173.534 173.534 175.310 -1.776 19955 12605 1 17 . 1 1 798 798 ALA CA C 798 50.823 50.823 49.810 1.013 19955 12606 1 17 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.188 0.535 19955 12607 1 17 . 1 1 798 798 ALA H H 798 8.820 8.820 8.742 0.078 19955 12608 1 17 . 1 1 799 799 ARG N N 799 118.968 118.968 121.584 -2.616 19955 12609 1 17 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.968 0.373 19955 12610 1 17 . 1 1 799 799 ARG C C 799 176.215 176.215 174.847 1.368 19955 12611 1 17 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.114 -0.992 19955 12612 1 17 . 1 1 799 799 ARG CB C 799 34.439 34.439 34.018 0.421 19955 12613 1 17 . 1 1 799 799 ARG H H 799 8.803 8.803 8.370 0.433 19955 12614 1 17 . 1 1 800 800 ALA N N 800 128.073 128.073 130.582 -2.509 19955 12615 1 17 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.663 -0.126 19955 12616 1 17 . 1 1 800 800 ALA C C 800 178.146 178.146 177.312 0.834 19955 12617 1 17 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.532 0.676 19955 12618 1 17 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.596 -0.942 19955 12619 1 17 . 1 1 800 800 ALA H H 800 9.037 9.037 9.108 -0.071 19955 12620 1 17 . 1 1 801 801 LYS N N 801 127.334 127.334 125.106 2.228 19955 12621 1 17 . 1 1 801 801 LYS HA H 801 3.758 3.758 3.909 -0.151 19955 12622 1 17 . 1 1 801 801 LYS C C 801 174.213 174.213 175.931 -1.718 19955 12623 1 17 . 1 1 801 801 LYS CA C 801 57.344 57.344 58.532 -1.188 19955 12624 1 17 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.028 0.619 19955 12625 1 17 . 1 1 801 801 LYS H H 801 9.291 9.291 8.220 1.071 19955 12626 1 17 . 1 1 802 802 PHE N N 802 111.696 111.696 115.808 -4.112 19955 12627 1 17 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.647 0.094 19955 12628 1 17 . 1 1 802 802 PHE C C 802 173.408 173.408 174.672 -1.264 19955 12629 1 17 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.284 -2.915 19955 12630 1 17 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.385 0.857 19955 12631 1 17 . 1 1 802 802 PHE H H 802 7.069 7.069 7.607 -0.538 19955 12632 1 17 . 1 1 803 803 ASP N N 803 117.498 117.498 121.069 -3.571 19955 12633 1 17 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.853 -0.329 19955 12634 1 17 . 1 1 803 803 ASP C C 803 175.782 175.782 174.713 1.069 19955 12635 1 17 . 1 1 803 803 ASP CA C 803 54.726 54.726 54.252 0.474 19955 12636 1 17 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.867 -0.713 19955 12637 1 17 . 1 1 803 803 ASP H H 803 8.339 8.339 8.630 -0.291 19955 12638 1 17 . 1 1 804 804 PHE N N 804 123.264 123.264 122.830 0.434 19955 12639 1 17 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.866 0.126 19955 12640 1 17 . 1 1 804 804 PHE C C 804 173.750 173.750 173.225 0.525 19955 12641 1 17 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.630 -0.409 19955 12642 1 17 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.617 -0.485 19955 12643 1 17 . 1 1 804 804 PHE H H 804 9.223 9.223 9.075 0.148 19955 12644 1 17 . 1 1 805 805 LYS N N 805 129.548 129.548 127.992 1.556 19955 12645 1 17 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.258 -0.137 19955 12646 1 17 . 1 1 805 805 LYS C C 805 174.042 174.042 174.200 -0.158 19955 12647 1 17 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.379 -0.011 19955 12648 1 17 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.914 -2.133 19955 12649 1 17 . 1 1 805 805 LYS H H 805 8.125 8.125 8.067 0.058 19955 12650 1 17 . 1 1 806 806 ALA N N 806 127.231 127.231 125.669 1.562 19955 12651 1 17 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.054 -0.172 19955 12652 1 17 . 1 1 806 806 ALA C C 806 178.066 178.066 177.350 0.716 19955 12653 1 17 . 1 1 806 806 ALA CA C 806 51.598 51.598 51.840 -0.242 19955 12654 1 17 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.556 0.949 19955 12655 1 17 . 1 1 806 806 ALA H H 806 7.291 7.291 8.076 -0.785 19955 12656 1 17 . 1 1 807 807 GLN N N 807 121.482 121.482 120.707 0.775 19955 12657 1 17 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.388 -0.062 19955 12658 1 17 . 1 1 807 807 GLN C C 807 175.927 175.927 175.989 -0.062 19955 12659 1 17 . 1 1 807 807 GLN CA C 807 56.206 56.206 57.095 -0.889 19955 12660 1 17 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.494 1.448 19955 12661 1 17 . 1 1 807 807 GLN H H 807 9.375 9.375 8.931 0.445 19955 12662 1 17 . 1 1 808 808 THR N N 808 108.842 108.842 109.428 -0.586 19955 12663 1 17 . 1 1 808 808 THR HA H 808 4.661 4.661 4.572 0.089 19955 12664 1 17 . 1 1 808 808 THR C C 808 175.262 175.262 174.989 0.273 19955 12665 1 17 . 1 1 808 808 THR CA C 808 59.313 59.313 60.026 -0.713 19955 12666 1 17 . 1 1 808 808 THR CB C 808 71.810 71.810 71.252 0.558 19955 12667 1 17 . 1 1 808 808 THR H H 808 7.472 7.472 8.097 -0.625 19955 12668 1 17 . 1 1 809 809 LEU N N 809 119.518 119.518 119.783 -0.265 19955 12669 1 17 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.128 0.072 19955 12670 1 17 . 1 1 809 809 LEU C C 809 177.895 177.895 177.624 0.271 19955 12671 1 17 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.204 -0.117 19955 12672 1 17 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.624 0.277 19955 12673 1 17 . 1 1 809 809 LEU H H 809 8.387 8.387 8.601 -0.214 19955 12674 1 17 . 1 1 810 810 LYS N N 810 115.587 115.587 116.577 -0.990 19955 12675 1 17 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.043 0.187 19955 12676 1 17 . 1 1 810 810 LYS C C 810 177.172 177.172 177.032 0.140 19955 12677 1 17 . 1 1 810 810 LYS CA C 810 56.807 56.807 58.511 -1.704 19955 12678 1 17 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.826 0.233 19955 12679 1 17 . 1 1 810 810 LYS H H 810 7.707 7.707 7.559 0.148 19955 12680 1 17 . 1 1 811 811 GLU N N 811 119.522 119.522 115.981 3.541 19955 12681 1 17 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.618 0.081 19955 12682 1 17 . 1 1 811 811 GLU C C 811 174.240 174.240 175.170 -0.930 19955 12683 1 17 . 1 1 811 811 GLU CA C 811 55.419 55.419 55.762 -0.343 19955 12684 1 17 . 1 1 811 811 GLU CB C 811 32.354 32.354 31.596 0.757 19955 12685 1 17 . 1 1 811 811 GLU H H 811 7.244 7.244 7.664 -0.420 19955 12686 1 17 . 1 1 812 812 LEU N N 812 126.910 126.910 117.159 9.751 19955 12687 1 17 . 1 1 812 812 LEU C C 812 172.269 172.269 174.425 -2.156 19955 12688 1 17 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.013 -0.502 19955 12689 1 17 . 1 1 812 812 LEU CB C 812 45.092 45.092 43.206 1.886 19955 12690 1 17 . 1 1 812 812 LEU H H 812 9.168 9.168 8.058 1.110 19955 12691 1 17 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.589 -0.152 19955 12692 1 17 . 1 1 813 813 PRO C C 813 176.755 176.755 175.416 1.339 19955 12693 1 17 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.331 0.215 19955 12694 1 17 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.626 -0.651 19955 12695 1 17 . 1 1 814 814 LEU N N 814 118.726 118.726 122.896 -4.170 19955 12696 1 17 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.406 0.240 19955 12697 1 17 . 1 1 814 814 LEU C C 814 176.452 176.452 175.627 0.825 19955 12698 1 17 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.804 -0.413 19955 12699 1 17 . 1 1 814 814 LEU CB C 814 46.896 46.896 45.765 1.131 19955 12700 1 17 . 1 1 814 814 LEU H H 814 8.532 8.532 8.909 -0.377 19955 12701 1 17 . 1 1 815 815 GLN N N 815 123.473 123.473 120.741 2.732 19955 12702 1 17 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.539 0.212 19955 12703 1 17 . 1 1 815 815 GLN C C 815 174.820 174.820 174.369 0.451 19955 12704 1 17 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.384 -0.048 19955 12705 1 17 . 1 1 815 815 GLN CB C 815 31.094 31.094 31.548 -0.454 19955 12706 1 17 . 1 1 815 815 GLN H H 815 8.938 8.938 8.433 0.505 19955 12707 1 17 . 1 1 816 816 LYS N N 816 122.982 122.982 127.828 -4.846 19955 12708 1 17 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.765 -0.650 19955 12709 1 17 . 1 1 816 816 LYS C C 816 177.030 177.030 177.166 -0.136 19955 12710 1 17 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.177 0.499 19955 12711 1 17 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.866 0.376 19955 12712 1 17 . 1 1 816 816 LYS H H 816 8.888 8.888 9.000 -0.112 19955 12713 1 17 . 1 1 817 817 GLY N N 817 115.370 115.370 115.516 -0.146 19955 12714 1 17 . 1 1 817 817 GLY C C 817 174.271 174.271 174.566 -0.295 19955 12715 1 17 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.531 0.130 19955 12716 1 17 . 1 1 817 817 GLY H H 817 8.870 8.870 9.191 -0.321 19955 12717 1 17 . 1 1 818 818 ASP N N 818 123.102 123.102 122.300 0.802 19955 12718 1 17 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.606 -0.278 19955 12719 1 17 . 1 1 818 818 ASP C C 818 175.076 175.076 175.880 -0.804 19955 12720 1 17 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.566 1.030 19955 12721 1 17 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.893 -0.355 19955 12722 1 17 . 1 1 818 818 ASP H H 818 8.468 8.468 8.373 0.095 19955 12723 1 17 . 1 1 819 819 ILE N N 819 121.053 121.053 124.570 -3.517 19955 12724 1 17 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.646 0.174 19955 12725 1 17 . 1 1 819 819 ILE C C 819 175.630 175.630 175.603 0.027 19955 12726 1 17 . 1 1 819 819 ILE CA C 819 58.602 58.602 58.950 -0.348 19955 12727 1 17 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.492 -0.951 19955 12728 1 17 . 1 1 819 819 ILE H H 819 8.286 8.286 8.134 0.152 19955 12729 1 17 . 1 1 820 820 VAL N N 820 124.554 124.554 121.297 3.257 19955 12730 1 17 . 1 1 820 820 VAL HA H 820 4.679 4.679 4.862 -0.183 19955 12731 1 17 . 1 1 820 820 VAL C C 820 172.751 172.751 173.787 -1.036 19955 12732 1 17 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.493 -0.632 19955 12733 1 17 . 1 1 820 820 VAL CB C 820 34.372 34.372 34.660 -0.288 19955 12734 1 17 . 1 1 820 820 VAL H H 820 8.717 8.717 8.668 0.049 19955 12735 1 17 . 1 1 821 821 TYR N N 821 120.296 120.296 121.735 -1.439 19955 12736 1 17 . 1 1 821 821 TYR HA H 821 4.803 4.803 5.048 -0.245 19955 12737 1 17 . 1 1 821 821 TYR C C 821 175.760 175.760 175.877 -0.117 19955 12738 1 17 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.445 0.393 19955 12739 1 17 . 1 1 821 821 TYR CB C 821 40.132 40.132 40.054 0.078 19955 12740 1 17 . 1 1 821 821 TYR H H 821 8.360 8.360 8.144 0.216 19955 12741 1 17 . 1 1 822 822 ILE N N 822 123.440 123.440 122.911 0.529 19955 12742 1 17 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.475 -0.610 19955 12743 1 17 . 1 1 822 822 ILE C C 822 176.541 176.541 175.381 1.160 19955 12744 1 17 . 1 1 822 822 ILE CA C 822 62.327 62.327 61.269 1.058 19955 12745 1 17 . 1 1 822 822 ILE CB C 822 39.429 39.429 38.688 0.741 19955 12746 1 17 . 1 1 822 822 ILE H H 822 8.991 8.991 8.050 0.941 19955 12747 1 17 . 1 1 823 823 TYR N N 823 127.197 127.197 124.779 2.418 19955 12748 1 17 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.861 0.207 19955 12749 1 17 . 1 1 823 823 TYR C C 823 176.327 176.327 175.803 0.524 19955 12750 1 17 . 1 1 823 823 TYR CA C 823 56.331 56.331 58.205 -1.874 19955 12751 1 17 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.762 -2.477 19955 12752 1 17 . 1 1 823 823 TYR H H 823 9.699 9.699 8.466 1.233 19955 12753 1 17 . 1 1 824 824 LYS N N 824 113.691 113.691 116.848 -3.157 19955 12754 1 17 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.591 0.073 19955 12755 1 17 . 1 1 824 824 LYS C C 824 174.044 174.044 173.744 0.300 19955 12756 1 17 . 1 1 824 824 LYS CA C 824 55.301 55.301 54.855 0.446 19955 12757 1 17 . 1 1 824 824 LYS CB C 824 35.104 35.104 35.090 0.014 19955 12758 1 17 . 1 1 824 824 LYS H H 824 7.904 7.904 8.396 -0.491 19955 12759 1 17 . 1 1 825 825 GLN N N 825 122.998 122.998 121.963 1.035 19955 12760 1 17 . 1 1 825 825 GLN HA H 825 4.614 4.614 3.866 0.748 19955 12761 1 17 . 1 1 825 825 GLN C C 825 175.372 175.372 175.482 -0.110 19955 12762 1 17 . 1 1 825 825 GLN CA C 825 55.970 55.970 54.397 1.573 19955 12763 1 17 . 1 1 825 825 GLN CB C 825 29.014 29.014 28.802 0.212 19955 12764 1 17 . 1 1 825 825 GLN H H 825 9.091 9.091 8.617 0.474 19955 12765 1 17 . 1 1 826 826 ILE N N 826 126.911 126.911 126.604 0.307 19955 12766 1 17 . 1 1 826 826 ILE HA H 826 3.950 3.950 3.836 0.114 19955 12767 1 17 . 1 1 826 826 ILE C C 826 175.447 175.447 176.680 -1.233 19955 12768 1 17 . 1 1 826 826 ILE CA C 826 62.062 62.062 63.347 -1.285 19955 12769 1 17 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.178 0.001 19955 12770 1 17 . 1 1 826 826 ILE H H 826 8.356 8.356 8.568 -0.212 19955 12771 1 17 . 1 1 827 827 ASP N N 827 118.575 118.575 116.045 2.530 19955 12772 1 17 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.846 -0.427 19955 12773 1 17 . 1 1 827 827 ASP C C 827 175.673 175.673 175.000 0.673 19955 12774 1 17 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.289 0.966 19955 12775 1 17 . 1 1 827 827 ASP CB C 827 40.120 40.120 42.831 -2.711 19955 12776 1 17 . 1 1 827 827 ASP H H 827 7.952 7.952 7.965 -0.013 19955 12777 1 17 . 1 1 828 828 GLN N N 828 113.633 113.633 118.071 -4.438 19955 12778 1 17 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.096 -0.224 19955 12779 1 17 . 1 1 828 828 GLN C C 828 175.745 175.745 176.072 -0.327 19955 12780 1 17 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.359 -0.098 19955 12781 1 17 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.782 -0.284 19955 12782 1 17 . 1 1 828 828 GLN H H 828 8.468 8.468 8.407 0.061 19955 12783 1 17 . 1 1 829 829 ASN N N 829 114.412 114.412 113.447 0.965 19955 12784 1 17 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.745 -0.003 19955 12785 1 17 . 1 1 829 829 ASN C C 829 175.652 175.652 173.961 1.691 19955 12786 1 17 . 1 1 829 829 ASN CA C 829 53.641 53.641 53.224 0.417 19955 12787 1 17 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.023 2.792 19955 12788 1 17 . 1 1 829 829 ASN H H 829 8.799 8.799 7.920 0.879 19955 12789 1 17 . 1 1 830 830 TRP N N 830 121.661 121.661 119.178 2.483 19955 12790 1 17 . 1 1 830 830 TRP HA H 830 4.810 4.810 4.877 -0.067 19955 12791 1 17 . 1 1 830 830 TRP C C 830 175.077 175.077 174.926 0.151 19955 12792 1 17 . 1 1 830 830 TRP CA C 830 57.290 57.290 55.182 2.107 19955 12793 1 17 . 1 1 830 830 TRP CB C 830 32.570 32.570 31.249 1.321 19955 12794 1 17 . 1 1 830 830 TRP H H 830 8.033 8.033 7.485 0.548 19955 12795 1 17 . 1 1 831 831 TYR N N 831 120.163 120.163 119.977 0.186 19955 12796 1 17 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.571 0.474 19955 12797 1 17 . 1 1 831 831 TYR C C 831 173.672 173.672 173.159 0.513 19955 12798 1 17 . 1 1 831 831 TYR CA C 831 56.372 56.372 57.014 -0.642 19955 12799 1 17 . 1 1 831 831 TYR CB C 831 42.726 42.726 42.770 -0.044 19955 12800 1 17 . 1 1 831 831 TYR H H 831 8.721 8.721 8.355 0.366 19955 12801 1 17 . 1 1 832 832 GLU N N 832 117.935 117.935 120.453 -2.518 19955 12802 1 17 . 1 1 832 832 GLU HA H 832 4.937 4.937 4.901 0.036 19955 12803 1 17 . 1 1 832 832 GLU C C 832 176.121 176.121 174.769 1.352 19955 12804 1 17 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.096 0.308 19955 12805 1 17 . 1 1 832 832 GLU CB C 832 33.955 33.955 34.165 -0.210 19955 12806 1 17 . 1 1 832 832 GLU H H 832 8.696 8.696 8.027 0.669 19955 12807 1 17 . 1 1 833 833 GLY N N 833 115.171 115.171 111.084 4.087 19955 12808 1 17 . 1 1 833 833 GLY C C 833 168.962 168.962 172.210 -3.248 19955 12809 1 17 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.756 0.867 19955 12810 1 17 . 1 1 833 833 GLY H H 833 9.063 9.063 8.356 0.707 19955 12811 1 17 . 1 1 834 834 GLU N N 834 117.849 117.849 120.984 -3.135 19955 12812 1 17 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.703 -0.014 19955 12813 1 17 . 1 1 834 834 GLU C C 834 175.077 175.077 174.997 0.080 19955 12814 1 17 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.159 -0.193 19955 12815 1 17 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.821 1.223 19955 12816 1 17 . 1 1 834 834 GLU H H 834 8.708 8.708 8.837 -0.129 19955 12817 1 17 . 1 1 835 835 HIS N N 835 120.973 120.973 124.879 -3.906 19955 12818 1 17 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.068 -0.234 19955 12819 1 17 . 1 1 835 835 HIS C C 835 174.509 174.509 174.411 0.098 19955 12820 1 17 . 1 1 835 835 HIS CA C 835 56.249 56.249 56.140 0.109 19955 12821 1 17 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.239 0.972 19955 12822 1 17 . 1 1 835 835 HIS H H 835 8.799 8.799 9.339 -0.540 19955 12823 1 17 . 1 1 836 836 HIS N N 836 125.728 125.728 124.596 1.132 19955 12824 1 17 . 1 1 836 836 HIS HA H 836 4.166 4.166 3.948 0.218 19955 12825 1 17 . 1 1 836 836 HIS C C 836 175.012 175.012 175.366 -0.354 19955 12826 1 17 . 1 1 836 836 HIS CA C 836 55.689 55.689 56.737 -1.048 19955 12827 1 17 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.146 -0.152 19955 12828 1 17 . 1 1 836 836 HIS H H 836 9.163 9.163 9.165 -0.002 19955 12829 1 17 . 1 1 837 837 GLY N N 837 104.909 104.909 105.879 -0.970 19955 12830 1 17 . 1 1 837 837 GLY C C 837 173.235 173.235 173.616 -0.381 19955 12831 1 17 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.242 0.412 19955 12832 1 17 . 1 1 837 837 GLY H H 837 9.070 9.070 8.658 0.412 19955 12833 1 17 . 1 1 838 838 ARG N N 838 122.925 122.925 120.252 2.673 19955 12834 1 17 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.806 -0.213 19955 12835 1 17 . 1 1 838 838 ARG C C 838 173.682 173.682 174.458 -0.776 19955 12836 1 17 . 1 1 838 838 ARG CA C 838 54.881 54.881 55.104 -0.223 19955 12837 1 17 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.043 -0.985 19955 12838 1 17 . 1 1 838 838 ARG H H 838 7.814 7.814 8.317 -0.503 19955 12839 1 17 . 1 1 839 839 VAL N N 839 123.572 123.572 121.931 1.641 19955 12840 1 17 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.301 -0.167 19955 12841 1 17 . 1 1 839 839 VAL C C 839 177.296 177.296 174.492 2.804 19955 12842 1 17 . 1 1 839 839 VAL CA C 839 60.200 60.200 59.907 0.293 19955 12843 1 17 . 1 1 839 839 VAL CB C 839 33.994 33.994 34.976 -0.982 19955 12844 1 17 . 1 1 839 839 VAL H H 839 8.360 8.360 8.493 -0.133 19955 12845 1 17 . 1 1 840 840 GLY N N 840 114.006 114.006 115.180 -1.174 19955 12846 1 17 . 1 1 840 840 GLY C C 840 171.246 171.246 172.088 -0.842 19955 12847 1 17 . 1 1 840 840 GLY CA C 840 45.896 45.896 45.566 0.330 19955 12848 1 17 . 1 1 840 840 GLY H H 840 8.951 8.951 8.216 0.736 19955 12849 1 17 . 1 1 841 841 ILE N N 841 112.496 112.496 116.812 -4.316 19955 12850 1 17 . 1 1 841 841 ILE HA H 841 5.881 5.881 5.143 0.738 19955 12851 1 17 . 1 1 841 841 ILE C C 841 176.120 176.120 173.876 2.244 19955 12852 1 17 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.905 0.462 19955 12853 1 17 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.989 -1.072 19955 12854 1 17 . 1 1 841 841 ILE H H 841 8.434 8.434 7.749 0.685 19955 12855 1 17 . 1 1 842 842 PHE N N 842 116.289 116.289 116.050 0.239 19955 12856 1 17 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.932 0.039 19955 12857 1 17 . 1 1 842 842 PHE C C 842 171.777 171.777 172.698 -0.921 19955 12858 1 17 . 1 1 842 842 PHE CA C 842 54.265 54.265 55.404 -1.139 19955 12859 1 17 . 1 1 842 842 PHE CB C 842 37.515 37.515 40.008 -2.493 19955 12860 1 17 . 1 1 842 842 PHE H H 842 8.408 8.408 8.026 0.382 19955 12861 1 17 . 1 1 843 843 PRO HA H 843 3.934 3.934 4.912 -0.978 19955 12862 1 17 . 1 1 843 843 PRO C C 843 178.228 178.228 178.460 -0.232 19955 12863 1 17 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.919 -1.306 19955 12864 1 17 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.878 -0.483 19955 12865 1 17 . 1 1 844 844 ARG N N 844 122.291 122.291 125.703 -3.412 19955 12866 1 17 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.021 -0.077 19955 12867 1 17 . 1 1 844 844 ARG C C 844 178.171 178.171 177.965 0.206 19955 12868 1 17 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.455 -0.837 19955 12869 1 17 . 1 1 844 844 ARG CB C 844 30.297 30.297 29.298 0.999 19955 12870 1 17 . 1 1 844 844 ARG H H 844 7.906 7.906 8.290 -0.384 19955 12871 1 17 . 1 1 845 845 THR N N 845 105.068 105.068 110.709 -5.641 19955 12872 1 17 . 1 1 845 845 THR HA H 845 4.159 4.159 4.236 -0.077 19955 12873 1 17 . 1 1 845 845 THR C C 845 175.363 175.363 175.349 0.014 19955 12874 1 17 . 1 1 845 845 THR CA C 845 63.035 63.035 64.948 -1.913 19955 12875 1 17 . 1 1 845 845 THR CB C 845 69.022 69.022 68.729 0.293 19955 12876 1 17 . 1 1 845 845 THR H H 845 7.907 7.907 8.184 -0.277 19955 12877 1 17 . 1 1 846 846 TYR N N 846 118.977 118.977 120.194 -1.217 19955 12878 1 17 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.753 -0.218 19955 12879 1 17 . 1 1 846 846 TYR C C 846 174.917 174.917 174.525 0.392 19955 12880 1 17 . 1 1 846 846 TYR CA C 846 58.751 58.751 58.995 -0.244 19955 12881 1 17 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.535 -1.480 19955 12882 1 17 . 1 1 846 846 TYR H H 846 7.611 7.611 8.407 -0.796 19955 12883 1 17 . 1 1 847 847 ILE N N 847 113.230 113.230 113.500 -0.270 19955 12884 1 17 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.150 -0.051 19955 12885 1 17 . 1 1 847 847 ILE C C 847 174.141 174.141 174.324 -0.183 19955 12886 1 17 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.242 -0.788 19955 12887 1 17 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.665 -0.474 19955 12888 1 17 . 1 1 847 847 ILE H H 847 7.390 7.390 7.448 -0.058 19955 12889 1 17 . 1 1 848 848 GLU N N 848 121.909 121.909 121.466 0.443 19955 12890 1 17 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.616 -0.068 19955 12891 1 17 . 1 1 848 848 GLU C C 848 175.193 175.193 175.001 0.192 19955 12892 1 17 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.401 -0.737 19955 12893 1 17 . 1 1 848 848 GLU CB C 848 32.624 32.624 32.934 -0.310 19955 12894 1 17 . 1 1 848 848 GLU H H 848 8.786 8.786 8.555 0.231 19955 12895 1 17 . 1 1 849 849 LEU N N 849 126.431 126.431 129.334 -2.903 19955 12896 1 17 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.192 -0.101 19955 12897 1 17 . 1 1 849 849 LEU C C 849 177.019 177.019 176.545 0.474 19955 12898 1 17 . 1 1 849 849 LEU CA C 849 55.667 55.667 55.391 0.276 19955 12899 1 17 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.125 -0.583 19955 12900 1 17 . 1 1 849 849 LEU H H 849 8.730 8.730 8.655 0.075 19955 12901 1 17 . 1 1 850 850 LEU N N 850 123.942 123.942 126.308 -2.366 19955 12902 1 17 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.106 0.456 19955 12903 1 17 . 1 1 850 850 LEU C C 850 174.453 174.453 174.265 0.188 19955 12904 1 17 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.679 -1.874 19955 12905 1 17 . 1 1 850 850 LEU CB C 850 40.963 40.963 40.807 0.156 19955 12906 1 17 . 1 1 850 850 LEU H H 850 7.846 7.846 8.414 -0.568 19955 12907 1 17 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.299 0.030 19955 12908 1 17 . 1 1 852 852 PRO C C 852 176.580 176.580 177.054 -0.474 19955 12909 1 17 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.408 -0.505 19955 12910 1 17 . 1 1 852 852 PRO CB C 852 31.765 31.765 31.965 -0.201 19955 12911 1 17 . 1 1 853 853 ALA N N 853 124.102 124.102 127.238 -3.136 19955 12912 1 17 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.178 0.062 19955 12913 1 17 . 1 1 853 853 ALA C C 853 177.767 177.767 177.870 -0.103 19955 12914 1 17 . 1 1 853 853 ALA CA C 853 52.258 52.258 52.771 -0.513 19955 12915 1 17 . 1 1 853 853 ALA CB C 853 19.516 19.516 17.870 1.646 19955 12916 1 17 . 1 1 853 853 ALA H H 853 8.354 8.354 8.554 -0.200 19955 12917 1 17 . 1 1 854 854 GLU N N 854 120.540 120.540 123.009 -2.469 19955 12918 1 17 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.336 -0.133 19955 12919 1 17 . 1 1 854 854 GLU C C 854 176.402 176.402 177.101 -0.699 19955 12920 1 17 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.740 -0.360 19955 12921 1 17 . 1 1 854 854 GLU CB C 854 30.432 30.432 29.599 0.833 19955 12922 1 17 . 1 1 854 854 GLU H H 854 8.348 8.348 8.200 0.148 19955 12923 1 17 . 1 1 855 855 LYS N N 855 122.717 122.717 117.166 5.551 19955 12924 1 17 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.156 0.059 19955 12925 1 17 . 1 1 855 855 LYS C C 855 176.078 176.078 177.213 -1.135 19955 12926 1 17 . 1 1 855 855 LYS CA C 855 56.018 56.018 57.415 -1.397 19955 12927 1 17 . 1 1 855 855 LYS CB C 855 33.187 33.187 32.290 0.897 19955 12928 1 17 . 1 1 855 855 LYS H H 855 8.305 8.305 8.212 0.093 19955 12929 1 17 . 1 1 856 856 ALA N N 856 125.584 125.584 121.620 3.964 19955 12930 1 17 . 1 1 856 856 ALA HA H 856 4.241 4.241 3.861 0.380 19955 12931 1 17 . 1 1 856 856 ALA C C 856 177.276 177.276 176.678 0.598 19955 12932 1 17 . 1 1 856 856 ALA CA C 856 52.046 52.046 53.394 -1.348 19955 12933 1 17 . 1 1 856 856 ALA CB C 856 19.294 19.294 17.259 2.035 19955 12934 1 17 . 1 1 856 856 ALA H H 856 8.219 8.219 7.982 0.237 19955 12935 1 17 . 1 1 857 857 GLN N N 857 121.223 121.223 120.176 1.047 19955 12936 1 17 . 1 1 857 857 GLN C C 857 173.964 173.964 173.489 0.475 19955 12937 1 17 . 1 1 857 857 GLN CA C 857 53.490 53.490 55.158 -1.669 19955 12938 1 17 . 1 1 857 857 GLN CB C 857 29.040 29.040 27.908 1.132 19955 12939 1 17 . 1 1 857 857 GLN H H 857 8.333 8.333 8.182 0.151 19955 12940 1 17 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.356 -0.018 19955 12941 1 17 . 1 1 858 858 PRO C C 858 176.696 176.696 176.763 -0.067 19955 12942 1 17 . 1 1 858 858 PRO CA C 858 62.910 62.910 63.041 -0.131 19955 12943 1 17 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.201 -0.126 19955 12944 1 17 . 1 1 859 859 LYS N N 859 121.891 121.891 125.127 -3.236 19955 12945 1 17 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.101 0.089 19955 12946 1 17 . 1 1 859 859 LYS C C 859 176.382 176.382 176.115 0.267 19955 12947 1 17 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.579 -0.449 19955 12948 1 17 . 1 1 859 859 LYS CB C 859 33.070 33.070 31.099 1.971 19955 12949 1 17 . 1 1 859 859 LYS H H 859 8.355 8.355 8.472 -0.117 19955 12950 1 17 . 1 1 860 860 LYS N N 860 123.002 123.002 120.522 2.480 19955 12951 1 17 . 1 1 860 860 LYS HA H 860 4.245 4.245 3.961 0.284 19955 12952 1 17 . 1 1 860 860 LYS C C 860 176.131 176.131 175.647 0.484 19955 12953 1 17 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.666 -0.813 19955 12954 1 17 . 1 1 860 860 LYS CB C 860 33.148 33.148 31.323 1.825 19955 12955 1 17 . 1 1 860 860 LYS H H 860 8.267 8.267 8.264 0.003 19955 12956 1 17 . 1 1 861 861 LEU N N 861 124.576 124.576 123.664 0.912 19955 12957 1 17 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.395 -0.039 19955 12958 1 17 . 1 1 861 861 LEU C C 861 177.069 177.069 176.944 0.125 19955 12959 1 17 . 1 1 861 861 LEU CA C 861 54.795 54.795 54.417 0.378 19955 12960 1 17 . 1 1 861 861 LEU CB C 861 42.350 42.350 42.608 -0.258 19955 12961 1 17 . 1 1 861 861 LEU H H 861 8.316 8.316 8.237 0.079 19955 12962 1 17 . 1 1 862 862 THR N N 862 117.878 117.878 113.178 4.700 19955 12963 1 17 . 1 1 862 862 THR HA H 862 4.729 4.729 4.208 0.521 19955 12964 1 17 . 1 1 862 862 THR C C 862 172.639 172.639 173.345 -0.706 19955 12965 1 17 . 1 1 862 862 THR CA C 862 59.644 59.644 61.217 -1.573 19955 12966 1 17 . 1 1 862 862 THR CB C 862 69.476 69.476 68.383 1.093 19955 12967 1 17 . 1 1 862 862 THR H H 862 8.162 8.162 8.237 -0.075 19955 12968 1 17 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.558 -0.190 19955 12969 1 17 . 1 1 863 863 PRO C C 863 176.753 176.753 176.170 0.583 19955 12970 1 17 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.247 0.945 19955 12971 1 17 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.445 -0.387 19955 12972 1 17 . 1 1 864 864 VAL N N 864 120.359 120.359 118.650 1.709 19955 12973 1 17 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.191 -0.206 19955 12974 1 17 . 1 1 864 864 VAL C C 864 175.964 175.964 175.681 0.283 19955 12975 1 17 . 1 1 864 864 VAL CA C 864 62.342 62.342 63.056 -0.714 19955 12976 1 17 . 1 1 864 864 VAL CB C 864 32.521 32.521 32.216 0.305 19955 12977 1 17 . 1 1 864 864 VAL H H 864 8.102 8.102 8.184 -0.082 19955 12978 1 17 . 1 1 865 865 GLN N N 865 124.642 124.642 121.568 3.074 19955 12979 1 17 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.468 -0.182 19955 12980 1 17 . 1 1 865 865 GLN C C 865 175.443 175.443 174.217 1.226 19955 12981 1 17 . 1 1 865 865 GLN CA C 865 55.595 55.595 54.705 0.890 19955 12982 1 17 . 1 1 865 865 GLN CB C 865 29.739 29.739 29.852 -0.113 19955 12983 1 17 . 1 1 865 865 GLN H H 865 8.333 8.333 8.012 0.321 19955 12984 1 17 . 1 1 866 866 VAL N N 866 123.436 123.436 121.188 2.248 19955 12985 1 17 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.197 -0.228 19955 12986 1 17 . 1 1 866 866 VAL C C 866 175.685 175.685 175.965 -0.280 19955 12987 1 17 . 1 1 866 866 VAL CA C 866 62.398 62.398 62.421 -0.023 19955 12988 1 17 . 1 1 866 866 VAL CB C 866 32.832 32.832 32.147 0.685 19955 12989 1 17 . 1 1 866 866 VAL H H 866 8.189 8.189 8.491 -0.302 19955 12990 1 17 . 1 1 867 867 LEU N N 867 127.515 127.515 129.079 -1.564 19955 12991 1 17 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.697 -0.435 19955 12992 1 17 . 1 1 867 867 LEU C C 867 177.037 177.037 177.504 -0.467 19955 12993 1 17 . 1 1 867 867 LEU CA C 867 55.688 55.688 55.507 0.181 19955 12994 1 17 . 1 1 867 867 LEU CB C 867 42.552 42.552 41.949 0.603 19955 12995 1 17 . 1 1 867 867 LEU H H 867 8.679 8.679 8.771 -0.092 19955 12996 1 17 . 1 1 868 868 GLU N N 868 120.794 120.794 118.163 2.631 19955 12997 1 17 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.154 0.065 19955 12998 1 17 . 1 1 868 868 GLU C C 868 175.353 175.353 176.270 -0.917 19955 12999 1 17 . 1 1 868 868 GLU CA C 868 55.753 55.753 56.960 -1.207 19955 13000 1 17 . 1 1 868 868 GLU CB C 868 31.419 31.419 29.313 2.106 19955 13001 1 17 . 1 1 868 868 GLU H H 868 8.272 8.272 8.505 -0.233 19955 13002 1 17 . 1 1 869 869 TYR N N 869 121.165 121.165 117.729 3.436 19955 13003 1 17 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.640 0.060 19955 13004 1 17 . 1 1 869 869 TYR C C 869 176.824 176.824 175.014 1.810 19955 13005 1 17 . 1 1 869 869 TYR CA C 869 56.809 56.809 57.959 -1.150 19955 13006 1 17 . 1 1 869 869 TYR CB C 869 38.650 38.650 39.235 -0.585 19955 13007 1 17 . 1 1 869 869 TYR H H 869 8.003 8.003 7.386 0.617 19955 13008 1 17 . 1 1 870 870 GLY N N 870 104.958 104.958 107.820 -2.862 19955 13009 1 17 . 1 1 870 870 GLY C C 870 173.846 173.846 172.320 1.526 19955 13010 1 17 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.700 -0.481 19955 13011 1 17 . 1 1 870 870 GLY H H 870 8.590 8.590 7.966 0.624 19955 13012 1 17 . 1 1 871 871 GLU N N 871 122.341 122.341 120.092 2.249 19955 13013 1 17 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.365 -0.143 19955 13014 1 17 . 1 1 871 871 GLU C C 871 173.827 173.827 174.129 -0.302 19955 13015 1 17 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.417 1.442 19955 13016 1 17 . 1 1 871 871 GLU CB C 871 34.934 34.934 33.584 1.350 19955 13017 1 17 . 1 1 871 871 GLU H H 871 9.246 9.246 8.150 1.096 19955 13018 1 17 . 1 1 872 872 ALA N N 872 126.709 126.709 126.690 0.019 19955 13019 1 17 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.237 -0.133 19955 13020 1 17 . 1 1 872 872 ALA C C 872 174.022 174.022 174.722 -0.700 19955 13021 1 17 . 1 1 872 872 ALA CA C 872 50.135 50.135 51.052 -0.917 19955 13022 1 17 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.573 1.925 19955 13023 1 17 . 1 1 872 872 ALA H H 872 9.266 9.266 8.845 0.421 19955 13024 1 17 . 1 1 873 873 ILE N N 873 118.554 118.554 121.157 -2.603 19955 13025 1 17 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.950 -0.336 19955 13026 1 17 . 1 1 873 873 ILE C C 873 176.132 176.132 175.230 0.902 19955 13027 1 17 . 1 1 873 873 ILE CA C 873 58.788 58.788 59.276 -0.489 19955 13028 1 17 . 1 1 873 873 ILE CB C 873 40.630 40.630 42.086 -1.456 19955 13029 1 17 . 1 1 873 873 ILE H H 873 8.522 8.522 8.689 -0.167 19955 13030 1 17 . 1 1 874 874 ALA N N 874 129.739 129.739 131.122 -1.383 19955 13031 1 17 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.202 -0.165 19955 13032 1 17 . 1 1 874 874 ALA C C 874 178.259 178.259 177.311 0.948 19955 13033 1 17 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.733 0.604 19955 13034 1 17 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.196 2.082 19955 13035 1 17 . 1 1 874 874 ALA H H 874 8.608 8.608 8.297 0.311 19955 13036 1 17 . 1 1 875 875 LYS N N 875 127.308 127.308 125.306 2.002 19955 13037 1 17 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.840 0.184 19955 13038 1 17 . 1 1 875 875 LYS C C 875 174.098 174.098 176.242 -2.144 19955 13039 1 17 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.742 -1.643 19955 13040 1 17 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.582 1.402 19955 13041 1 17 . 1 1 875 875 LYS H H 875 9.298 9.298 8.714 0.584 19955 13042 1 17 . 1 1 876 876 PHE N N 876 113.423 113.423 115.993 -2.570 19955 13043 1 17 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.697 0.214 19955 13044 1 17 . 1 1 876 876 PHE C C 876 174.050 174.050 174.838 -0.788 19955 13045 1 17 . 1 1 876 876 PHE CA C 876 53.845 53.845 55.747 -1.902 19955 13046 1 17 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.282 2.460 19955 13047 1 17 . 1 1 876 876 PHE H H 876 7.328 7.328 7.630 -0.302 19955 13048 1 17 . 1 1 877 877 ASN N N 877 116.437 116.437 119.445 -3.008 19955 13049 1 17 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.522 0.267 19955 13050 1 17 . 1 1 877 877 ASN C C 877 174.454 174.454 173.954 0.500 19955 13051 1 17 . 1 1 877 877 ASN CA C 877 53.535 53.535 53.660 -0.125 19955 13052 1 17 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.745 -0.538 19955 13053 1 17 . 1 1 877 877 ASN H H 877 8.666 8.666 8.610 0.056 19955 13054 1 17 . 1 1 878 878 PHE N N 878 123.179 123.179 121.230 1.949 19955 13055 1 17 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.599 0.066 19955 13056 1 17 . 1 1 878 878 PHE C C 878 173.027 173.027 173.045 -0.018 19955 13057 1 17 . 1 1 878 878 PHE CA C 878 56.104 56.104 57.677 -1.573 19955 13058 1 17 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.209 -0.123 19955 13059 1 17 . 1 1 878 878 PHE H H 878 8.433 8.433 8.863 -0.430 19955 13060 1 17 . 1 1 879 879 ASN N N 879 127.113 127.113 120.761 6.352 19955 13061 1 17 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.836 -0.274 19955 13062 1 17 . 1 1 879 879 ASN C C 879 173.174 173.174 174.228 -1.054 19955 13063 1 17 . 1 1 879 879 ASN CA C 879 50.930 50.930 52.028 -1.098 19955 13064 1 17 . 1 1 879 879 ASN CB C 879 39.387 39.387 38.921 0.466 19955 13065 1 17 . 1 1 879 879 ASN H H 879 8.000 8.000 7.752 0.248 19955 13066 1 17 . 1 1 880 880 GLY N N 880 110.949 110.949 109.193 1.756 19955 13067 1 17 . 1 1 880 880 GLY C C 880 173.383 173.383 173.707 -0.324 19955 13068 1 17 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.625 1.033 19955 13069 1 17 . 1 1 880 880 GLY H H 880 7.997 7.997 8.420 -0.423 19955 13070 1 17 . 1 1 881 881 ASP N N 881 122.408 122.408 116.528 5.880 19955 13071 1 17 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.718 -0.085 19955 13072 1 17 . 1 1 881 881 ASP C C 881 176.286 176.286 176.181 0.105 19955 13073 1 17 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.048 1.148 19955 13074 1 17 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.444 1.696 19955 13075 1 17 . 1 1 881 881 ASP H H 881 8.796 8.796 8.423 0.373 19955 13076 1 17 . 1 1 882 882 THR N N 882 108.354 108.354 111.883 -3.529 19955 13077 1 17 . 1 1 882 882 THR HA H 882 4.583 4.583 4.404 0.179 19955 13078 1 17 . 1 1 882 882 THR C C 882 175.948 175.948 174.535 1.413 19955 13079 1 17 . 1 1 882 882 THR CA C 882 60.352 60.352 61.969 -1.617 19955 13080 1 17 . 1 1 882 882 THR CB C 882 71.649 71.649 70.215 1.434 19955 13081 1 17 . 1 1 882 882 THR H H 882 7.541 7.541 7.807 -0.266 19955 13082 1 17 . 1 1 883 883 GLN N N 883 118.622 118.622 118.308 0.314 19955 13083 1 17 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.409 -0.257 19955 13084 1 17 . 1 1 883 883 GLN C C 883 176.478 176.478 176.071 0.407 19955 13085 1 17 . 1 1 883 883 GLN CA C 883 58.196 58.196 56.838 1.358 19955 13086 1 17 . 1 1 883 883 GLN CB C 883 28.669 28.669 29.050 -0.381 19955 13087 1 17 . 1 1 883 883 GLN H H 883 8.710 8.710 8.610 0.100 19955 13088 1 17 . 1 1 884 884 VAL N N 884 111.473 111.473 111.150 0.323 19955 13089 1 17 . 1 1 884 884 VAL HA H 884 4.207 4.207 4.381 -0.174 19955 13090 1 17 . 1 1 884 884 VAL C C 884 176.430 176.430 175.688 0.742 19955 13091 1 17 . 1 1 884 884 VAL CA C 884 62.293 62.293 61.450 0.843 19955 13092 1 17 . 1 1 884 884 VAL CB C 884 31.924 31.924 32.835 -0.911 19955 13093 1 17 . 1 1 884 884 VAL H H 884 7.260 7.260 7.298 -0.038 19955 13094 1 17 . 1 1 885 885 GLU N N 885 121.794 121.794 121.304 0.490 19955 13095 1 17 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.404 0.504 19955 13096 1 17 . 1 1 885 885 GLU C C 885 175.369 175.369 176.177 -0.808 19955 13097 1 17 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.536 -0.226 19955 13098 1 17 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.102 1.687 19955 13099 1 17 . 1 1 885 885 GLU H H 885 7.455 7.455 7.866 -0.411 19955 13100 1 17 . 1 1 886 886 MET N N 886 125.473 125.473 122.985 2.488 19955 13101 1 17 . 1 1 886 886 MET HA H 886 4.534 4.534 4.847 -0.313 19955 13102 1 17 . 1 1 886 886 MET C C 886 172.841 172.841 175.681 -2.840 19955 13103 1 17 . 1 1 886 886 MET CA C 886 54.129 54.129 53.967 0.162 19955 13104 1 17 . 1 1 886 886 MET CB C 886 35.157 35.157 33.850 1.307 19955 13105 1 17 . 1 1 886 886 MET H H 886 8.996 8.996 8.075 0.921 19955 13106 1 17 . 1 1 887 887 SER N N 887 118.425 118.425 121.026 -2.601 19955 13107 1 17 . 1 1 887 887 SER HA H 887 4.402 4.402 4.609 -0.207 19955 13108 1 17 . 1 1 887 887 SER C C 887 174.667 174.667 173.681 0.986 19955 13109 1 17 . 1 1 887 887 SER CA C 887 58.612 58.612 58.366 0.246 19955 13110 1 17 . 1 1 887 887 SER CB C 887 64.186 64.186 63.966 0.220 19955 13111 1 17 . 1 1 887 887 SER H H 887 7.888 7.888 8.720 -0.832 19955 13112 1 17 . 1 1 888 888 PHE N N 888 116.363 116.363 123.827 -7.464 19955 13113 1 17 . 1 1 888 888 PHE HA H 888 4.514 4.514 5.017 -0.503 19955 13114 1 17 . 1 1 888 888 PHE C C 888 174.756 174.756 172.790 1.966 19955 13115 1 17 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.668 -0.132 19955 13116 1 17 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.863 -1.061 19955 13117 1 17 . 1 1 888 888 PHE H H 888 8.780 8.780 8.173 0.607 19955 13118 1 17 . 1 1 889 889 ARG N N 889 121.944 121.944 119.333 2.611 19955 13119 1 17 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.692 0.280 19955 13120 1 17 . 1 1 889 889 ARG C C 889 175.318 175.318 175.335 -0.017 19955 13121 1 17 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.074 -0.776 19955 13122 1 17 . 1 1 889 889 ARG CB C 889 32.886 32.886 33.435 -0.549 19955 13123 1 17 . 1 1 889 889 ARG H H 889 10.187 10.187 8.803 1.384 19955 13124 1 17 . 1 1 890 890 LYS N N 890 119.991 119.991 121.511 -1.520 19955 13125 1 17 . 1 1 890 890 LYS HA H 890 3.248 3.248 4.061 -0.812 19955 13126 1 17 . 1 1 890 890 LYS C C 890 176.504 176.504 177.751 -1.247 19955 13127 1 17 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.204 0.192 19955 13128 1 17 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.383 0.446 19955 13129 1 17 . 1 1 890 890 LYS H H 890 8.360 8.360 8.462 -0.102 19955 13130 1 17 . 1 1 891 891 GLY N N 891 113.950 113.950 115.693 -1.743 19955 13131 1 17 . 1 1 891 891 GLY C C 891 174.298 174.298 174.227 0.071 19955 13132 1 17 . 1 1 891 891 GLY CA C 891 44.668 44.668 45.192 -0.524 19955 13133 1 17 . 1 1 891 891 GLY H H 891 8.673 8.673 8.629 0.044 19955 13134 1 17 . 1 1 892 892 GLU N N 892 119.511 119.511 121.802 -2.291 19955 13135 1 17 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.343 -0.227 19955 13136 1 17 . 1 1 892 892 GLU C C 892 174.618 174.618 176.139 -1.521 19955 13137 1 17 . 1 1 892 892 GLU CA C 892 59.515 59.515 56.031 3.484 19955 13138 1 17 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.616 -0.035 19955 13139 1 17 . 1 1 892 892 GLU H H 892 7.856 7.856 7.836 0.020 19955 13140 1 17 . 1 1 893 893 ARG N N 893 122.979 122.979 121.390 1.589 19955 13141 1 17 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.612 -0.015 19955 13142 1 17 . 1 1 893 893 ARG C C 893 174.836 174.836 176.331 -1.495 19955 13143 1 17 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.218 -0.690 19955 13144 1 17 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.073 -0.033 19955 13145 1 17 . 1 1 893 893 ARG H H 893 8.120 8.120 8.595 -0.475 19955 13146 1 17 . 1 1 894 894 ILE N N 894 122.659 122.659 122.380 0.279 19955 13147 1 17 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.322 -0.259 19955 13148 1 17 . 1 1 894 894 ILE C C 894 175.789 175.789 174.743 1.046 19955 13149 1 17 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.191 0.075 19955 13150 1 17 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.402 1.025 19955 13151 1 17 . 1 1 894 894 ILE H H 894 8.586 8.586 9.010 -0.424 19955 13152 1 17 . 1 1 895 895 THR N N 895 124.709 124.709 122.078 2.631 19955 13153 1 17 . 1 1 895 895 THR HA H 895 4.441 4.441 4.940 -0.499 19955 13154 1 17 . 1 1 895 895 THR C C 895 174.124 174.124 174.207 -0.083 19955 13155 1 17 . 1 1 895 895 THR CA C 895 62.837 62.837 61.952 0.885 19955 13156 1 17 . 1 1 895 895 THR CB C 895 69.246 69.246 69.838 -0.592 19955 13157 1 17 . 1 1 895 895 THR H H 895 9.078 9.078 8.671 0.407 19955 13158 1 17 . 1 1 896 896 LEU N N 896 122.648 122.648 128.037 -5.389 19955 13159 1 17 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.452 -0.063 19955 13160 1 17 . 1 1 896 896 LEU C C 896 174.836 174.836 176.274 -1.438 19955 13161 1 17 . 1 1 896 896 LEU H H 896 8.583 8.583 8.168 0.415 19955 13162 1 17 . 1 1 897 897 LEU N N 897 124.502 124.502 124.560 -0.058 19955 13163 1 17 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.480 -0.148 19955 13164 1 17 . 1 1 897 897 LEU C C 897 176.645 176.645 177.393 -0.748 19955 13165 1 17 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.894 0.333 19955 13166 1 17 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.157 -0.826 19955 13167 1 17 . 1 1 897 897 LEU H H 897 8.984 8.984 8.498 0.486 19955 13168 1 17 . 1 1 898 898 ARG N N 898 108.422 108.422 114.140 -5.718 19955 13169 1 17 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.654 -0.212 19955 13170 1 17 . 1 1 898 898 ARG C C 898 173.645 173.645 173.746 -0.101 19955 13171 1 17 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.195 0.046 19955 13172 1 17 . 1 1 898 898 ARG CB C 898 31.609 31.609 31.917 -0.308 19955 13173 1 17 . 1 1 898 898 ARG H H 898 7.413 7.413 7.649 -0.236 19955 13174 1 17 . 1 1 899 899 GLN N N 899 124.503 124.503 119.556 4.947 19955 13175 1 17 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.746 -0.554 19955 13176 1 17 . 1 1 899 899 GLN C C 899 175.142 175.142 176.079 -0.937 19955 13177 1 17 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.056 1.240 19955 13178 1 17 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.340 -0.851 19955 13179 1 17 . 1 1 899 899 GLN H H 899 9.301 9.301 8.691 0.610 19955 13180 1 17 . 1 1 900 900 VAL N N 900 129.109 129.109 127.445 1.664 19955 13181 1 17 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.810 -0.144 19955 13182 1 17 . 1 1 900 900 VAL C C 900 175.298 175.298 176.443 -1.145 19955 13183 1 17 . 1 1 900 900 VAL CA C 900 64.773 64.773 65.224 -0.451 19955 13184 1 17 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.390 0.431 19955 13185 1 17 . 1 1 900 900 VAL H H 900 8.475 8.475 8.661 -0.186 19955 13186 1 17 . 1 1 901 901 ASP N N 901 118.573 118.573 117.552 1.021 19955 13187 1 17 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.811 -0.415 19955 13188 1 17 . 1 1 901 901 ASP C C 901 175.386 175.386 176.026 -0.640 19955 13189 1 17 . 1 1 901 901 ASP CA C 901 53.300 53.300 54.331 -1.031 19955 13190 1 17 . 1 1 901 901 ASP CB C 901 40.163 40.163 41.698 -1.535 19955 13191 1 17 . 1 1 901 901 ASP H H 901 8.038 8.038 7.764 0.274 19955 13192 1 17 . 1 1 902 902 GLU N N 902 114.492 114.492 117.668 -3.176 19955 13193 1 17 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.622 -0.790 19955 13194 1 17 . 1 1 902 902 GLU C C 902 175.973 175.973 176.591 -0.618 19955 13195 1 17 . 1 1 902 902 GLU CA C 902 59.095 59.095 57.496 1.599 19955 13196 1 17 . 1 1 902 902 GLU CB C 902 29.507 29.507 31.535 -2.029 19955 13197 1 17 . 1 1 902 902 GLU H H 902 8.784 8.784 8.502 0.282 19955 13198 1 17 . 1 1 903 903 ASN N N 903 113.835 113.835 115.846 -2.011 19955 13199 1 17 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.892 -0.028 19955 13200 1 17 . 1 1 903 903 ASN C C 903 175.238 175.238 173.659 1.579 19955 13201 1 17 . 1 1 903 903 ASN CA C 903 53.800 53.800 53.421 0.379 19955 13202 1 17 . 1 1 903 903 ASN CB C 903 42.210 42.210 40.070 2.140 19955 13203 1 17 . 1 1 903 903 ASN H H 903 8.763 8.763 8.163 0.600 19955 13204 1 17 . 1 1 904 904 TRP N N 904 121.517 121.517 118.914 2.603 19955 13205 1 17 . 1 1 904 904 TRP HA H 904 4.950 4.950 5.119 -0.169 19955 13206 1 17 . 1 1 904 904 TRP C C 904 175.223 175.223 174.910 0.313 19955 13207 1 17 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.635 0.545 19955 13208 1 17 . 1 1 904 904 TRP CB C 904 31.286 31.286 32.712 -1.427 19955 13209 1 17 . 1 1 904 904 TRP H H 904 8.141 8.141 7.650 0.491 19955 13210 1 17 . 1 1 905 905 TYR N N 905 121.365 121.365 116.638 4.727 19955 13211 1 17 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.237 -0.321 19955 13212 1 17 . 1 1 905 905 TYR C C 905 173.702 173.702 172.816 0.886 19955 13213 1 17 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.474 -0.014 19955 13214 1 17 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.509 1.892 19955 13215 1 17 . 1 1 905 905 TYR H H 905 8.550 8.550 8.716 -0.166 19955 13216 1 17 . 1 1 906 906 GLU N N 906 117.356 117.356 121.319 -3.963 19955 13217 1 17 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.819 0.066 19955 13218 1 17 . 1 1 906 906 GLU C C 906 176.159 176.159 175.391 0.768 19955 13219 1 17 . 1 1 906 906 GLU CA C 906 54.795 54.795 53.988 0.807 19955 13220 1 17 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.601 -1.011 19955 13221 1 17 . 1 1 906 906 GLU H H 906 8.707 8.707 8.732 -0.025 19955 13222 1 17 . 1 1 907 907 GLY N N 907 114.506 114.506 111.706 2.800 19955 13223 1 17 . 1 1 907 907 GLY C C 907 169.408 169.408 171.916 -2.508 19955 13224 1 17 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.262 0.472 19955 13225 1 17 . 1 1 907 907 GLY H H 907 9.334 9.334 8.385 0.949 19955 13226 1 17 . 1 1 908 908 ARG N N 908 114.660 114.660 116.744 -2.084 19955 13227 1 17 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.269 0.108 19955 13228 1 17 . 1 1 908 908 ARG C C 908 173.981 173.981 174.730 -0.749 19955 13229 1 17 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.485 -0.208 19955 13230 1 17 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.011 0.578 19955 13231 1 17 . 1 1 908 908 ARG H H 908 8.694 8.694 8.481 0.213 19955 13232 1 17 . 1 1 909 909 ILE N N 909 124.579 124.579 122.066 2.513 19955 13233 1 17 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.603 0.316 19955 13234 1 17 . 1 1 909 909 ILE C C 909 175.024 175.024 174.822 0.202 19955 13235 1 17 . 1 1 909 909 ILE CA C 909 56.699 56.699 59.056 -2.357 19955 13236 1 17 . 1 1 909 909 ILE CB C 909 35.387 35.387 38.387 -3.000 19955 13237 1 17 . 1 1 909 909 ILE H H 909 7.757 7.757 8.166 -0.409 19955 13238 1 17 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.209 0.420 19955 13239 1 17 . 1 1 910 910 PRO C C 910 176.353 176.353 177.559 -1.206 19955 13240 1 17 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.483 -11.684 19955 13241 1 17 . 1 1 910 910 PRO CB C 910 30.408 30.408 32.032 -1.624 19955 13242 1 17 . 1 1 911 911 GLY N N 911 118.118 118.118 110.799 7.319 19955 13243 1 17 . 1 1 911 911 GLY C C 911 173.987 173.987 174.308 -0.321 19955 13244 1 17 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.493 -0.161 19955 13245 1 17 . 1 1 911 911 GLY H H 911 7.869 7.869 8.595 -0.726 19955 13246 1 17 . 1 1 912 912 THR N N 912 109.041 109.041 111.288 -2.247 19955 13247 1 17 . 1 1 912 912 THR HA H 912 4.469 4.469 3.932 0.537 19955 13248 1 17 . 1 1 912 912 THR C C 912 174.144 174.144 175.058 -0.914 19955 13249 1 17 . 1 1 912 912 THR CA C 912 60.194 60.194 63.369 -3.175 19955 13250 1 17 . 1 1 912 912 THR CB C 912 72.812 72.812 67.242 5.570 19955 13251 1 17 . 1 1 912 912 THR H H 912 7.743 7.743 8.070 -0.327 19955 13252 1 17 . 1 1 913 913 SER N N 913 126.292 126.292 115.332 10.960 19955 13253 1 17 . 1 1 913 913 SER HA H 913 4.671 4.671 4.227 0.444 19955 13254 1 17 . 1 1 913 913 SER C C 913 174.781 174.781 174.854 -0.073 19955 13255 1 17 . 1 1 913 913 SER CA C 913 57.411 57.411 60.189 -2.778 19955 13256 1 17 . 1 1 913 913 SER CB C 913 63.258 63.258 63.872 -0.614 19955 13257 1 17 . 1 1 913 913 SER H H 913 7.896 7.896 8.204 -0.308 19955 13258 1 17 . 1 1 914 914 ARG N N 914 124.284 124.284 118.343 5.941 19955 13259 1 17 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.585 -0.332 19955 13260 1 17 . 1 1 914 914 ARG C C 914 174.712 174.712 173.616 1.096 19955 13261 1 17 . 1 1 914 914 ARG CA C 914 56.960 56.960 56.370 0.590 19955 13262 1 17 . 1 1 914 914 ARG CB C 914 30.694 30.694 33.511 -2.817 19955 13263 1 17 . 1 1 914 914 ARG H H 914 8.631 8.631 7.634 0.997 19955 13264 1 17 . 1 1 915 915 GLN N N 915 124.297 124.297 121.304 2.993 19955 13265 1 17 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.371 0.010 19955 13266 1 17 . 1 1 915 915 GLN C C 915 174.377 174.377 174.050 0.327 19955 13267 1 17 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.459 1.107 19955 13268 1 17 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.793 -1.787 19955 13269 1 17 . 1 1 915 915 GLN H H 915 8.054 8.054 8.381 -0.327 19955 13270 1 17 . 1 1 916 916 GLY N N 916 112.028 112.028 110.048 1.980 19955 13271 1 17 . 1 1 916 916 GLY C C 916 172.185 172.185 171.330 0.855 19955 13272 1 17 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.535 -0.288 19955 13273 1 17 . 1 1 916 916 GLY H H 916 8.818 8.818 8.270 0.548 19955 13274 1 17 . 1 1 917 917 ILE N N 917 113.634 113.634 114.913 -1.279 19955 13275 1 17 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.389 1.639 19955 13276 1 17 . 1 1 917 917 ILE C C 917 176.584 176.584 173.264 3.320 19955 13277 1 17 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.234 1.745 19955 13278 1 17 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.712 0.513 19955 13279 1 17 . 1 1 917 917 ILE H H 917 8.714 8.714 7.433 1.281 19955 13280 1 17 . 1 1 918 918 PHE N N 918 115.806 115.806 116.548 -0.742 19955 13281 1 17 . 1 1 918 918 PHE C C 918 170.959 170.959 172.414 -1.455 19955 13282 1 17 . 1 1 918 918 PHE CA C 918 55.619 55.619 54.535 1.084 19955 13283 1 17 . 1 1 918 918 PHE CB C 918 38.622 38.622 38.816 -0.194 19955 13284 1 17 . 1 1 918 918 PHE H H 918 8.573 8.573 7.876 0.697 19955 13285 1 17 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.487 -0.387 19955 13286 1 17 . 1 1 919 919 PRO C C 919 178.655 178.655 177.597 1.058 19955 13287 1 17 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.763 -0.765 19955 13288 1 17 . 1 1 919 919 PRO CB C 919 31.210 31.210 32.078 -0.868 19955 13289 1 17 . 1 1 920 920 ILE N N 920 123.677 123.677 122.862 0.815 19955 13290 1 17 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.749 -0.058 19955 13291 1 17 . 1 1 920 920 ILE C C 920 176.798 176.798 178.007 -1.209 19955 13292 1 17 . 1 1 920 920 ILE CA C 920 63.373 63.373 64.831 -1.458 19955 13293 1 17 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.609 1.242 19955 13294 1 17 . 1 1 920 920 ILE H H 920 7.949 7.949 8.115 -0.166 19955 13295 1 17 . 1 1 921 921 THR N N 921 106.993 106.993 115.779 -8.786 19955 13296 1 17 . 1 1 921 921 THR HA H 921 4.294 4.294 4.044 0.250 19955 13297 1 17 . 1 1 921 921 THR C C 921 175.639 175.639 175.820 -0.181 19955 13298 1 17 . 1 1 921 921 THR CA C 921 62.983 62.983 66.856 -3.873 19955 13299 1 17 . 1 1 921 921 THR CB C 921 69.104 69.104 68.708 0.396 19955 13300 1 17 . 1 1 921 921 THR H H 921 7.500 7.500 8.287 -0.787 19955 13301 1 17 . 1 1 922 922 TYR N N 922 118.600 118.600 118.261 0.339 19955 13302 1 17 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.761 -0.121 19955 13303 1 17 . 1 1 922 922 TYR C C 922 175.481 175.481 175.253 0.228 19955 13304 1 17 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.268 2.180 19955 13305 1 17 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.229 0.371 19955 13306 1 17 . 1 1 922 922 TYR H H 922 7.836 7.836 7.934 -0.098 19955 13307 1 17 . 1 1 923 923 VAL N N 923 109.058 109.058 113.837 -4.779 19955 13308 1 17 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.827 0.132 19955 13309 1 17 . 1 1 923 923 VAL C C 923 172.905 172.905 174.346 -1.441 19955 13310 1 17 . 1 1 923 923 VAL CA C 923 58.490 58.490 58.914 -0.424 19955 13311 1 17 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.386 -0.099 19955 13312 1 17 . 1 1 923 923 VAL H H 923 7.701 7.701 7.536 0.165 19955 13313 1 17 . 1 1 924 924 ASP N N 924 120.115 120.115 122.031 -1.916 19955 13314 1 17 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.797 0.137 19955 13315 1 17 . 1 1 924 924 ASP C C 924 175.863 175.863 174.654 1.209 19955 13316 1 17 . 1 1 924 924 ASP CA C 924 52.934 52.934 52.024 0.910 19955 13317 1 17 . 1 1 924 924 ASP CB C 924 42.263 42.263 43.499 -1.236 19955 13318 1 17 . 1 1 924 924 ASP H H 924 8.658 8.658 8.564 0.094 19955 13319 1 17 . 1 1 925 925 VAL N N 925 125.090 125.090 126.297 -1.207 19955 13320 1 17 . 1 1 925 925 VAL HA H 925 3.679 3.679 4.167 -0.488 19955 13321 1 17 . 1 1 925 925 VAL C C 925 175.620 175.620 176.038 -0.418 19955 13322 1 17 . 1 1 925 925 VAL CA C 925 64.215 64.215 61.053 3.162 19955 13323 1 17 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.444 0.277 19955 13324 1 17 . 1 1 925 925 VAL H H 925 8.911 8.911 8.420 0.491 19955 13325 1 17 . 1 1 926 926 ILE N N 926 129.390 129.390 128.561 0.829 19955 13326 1 17 . 1 1 926 926 ILE HA H 926 4.037 4.037 3.776 0.261 19955 13327 1 17 . 1 1 926 926 ILE C C 926 175.683 175.683 176.396 -0.713 19955 13328 1 17 . 1 1 926 926 ILE CA C 926 61.578 61.578 63.269 -1.690 19955 13329 1 17 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.377 0.170 19955 13330 1 17 . 1 1 926 926 ILE H H 926 8.519 8.519 8.512 0.007 19955 13331 1 17 . 1 1 927 927 LYS N N 927 122.060 122.060 118.123 3.937 19955 13332 1 17 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.482 0.130 19955 13333 1 17 . 1 1 927 927 LYS C C 927 175.204 175.204 174.642 0.562 19955 13334 1 17 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.115 0.481 19955 13335 1 17 . 1 1 927 927 LYS CB C 927 35.633 35.633 35.119 0.514 19955 13336 1 17 . 1 1 927 927 LYS H H 927 8.017 8.017 7.397 0.620 19955 13337 1 17 . 1 1 928 928 ARG N N 928 126.441 126.441 123.860 2.581 19955 13338 1 17 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.506 -0.079 19955 13339 1 17 . 1 1 928 928 ARG C C 928 173.959 173.959 174.228 -0.269 19955 13340 1 17 . 1 1 928 928 ARG CA C 928 55.488 55.488 53.757 1.731 19955 13341 1 17 . 1 1 928 928 ARG CB C 928 29.713 29.713 30.561 -0.848 19955 13342 1 17 . 1 1 928 928 ARG H H 928 8.729 8.729 8.559 0.170 19955 13343 1 17 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.323 0.190 19955 13344 1 17 . 1 1 929 929 PRO CA C 929 62.718 62.718 62.743 -0.025 19955 13345 1 17 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.558 -0.942 19955 13346 1 18 . 1 1 790 790 MET HA H 790 4.396 4.396 4.610 -0.214 19955 13347 1 18 . 1 1 790 790 MET CA C 790 55.378 55.378 55.727 -0.349 19955 13348 1 18 . 1 1 790 790 MET CB C 790 32.960 32.960 33.666 -0.706 19955 13349 1 18 . 1 1 791 791 SER N N 791 118.373 118.373 117.707 0.666 19955 13350 1 18 . 1 1 791 791 SER HA H 791 4.362 4.362 4.637 -0.275 19955 13351 1 18 . 1 1 791 791 SER C C 791 175.043 175.043 174.859 0.184 19955 13352 1 18 . 1 1 791 791 SER CA C 791 58.532 58.532 57.923 0.609 19955 13353 1 18 . 1 1 791 791 SER CB C 791 63.749 63.749 64.250 -0.501 19955 13354 1 18 . 1 1 791 791 SER H H 791 8.657 8.657 8.725 -0.068 19955 13355 1 18 . 1 1 792 792 GLY N N 792 111.254 111.254 111.007 0.247 19955 13356 1 18 . 1 1 792 792 GLY C C 792 174.362 174.362 175.390 -1.028 19955 13357 1 18 . 1 1 792 792 GLY CA C 792 45.539 45.539 45.420 0.119 19955 13358 1 18 . 1 1 792 792 GLY H H 792 8.560 8.560 8.649 -0.089 19955 13359 1 18 . 1 1 793 793 SER N N 793 115.369 115.369 115.070 0.299 19955 13360 1 18 . 1 1 793 793 SER HA H 793 4.409 4.409 4.387 0.022 19955 13361 1 18 . 1 1 793 793 SER C C 793 174.396 174.396 175.240 -0.844 19955 13362 1 18 . 1 1 793 793 SER CA C 793 58.485 58.485 60.552 -2.067 19955 13363 1 18 . 1 1 793 793 SER CB C 793 63.845 63.845 63.122 0.723 19955 13364 1 18 . 1 1 793 793 SER H H 793 8.102 8.102 8.406 -0.304 19955 13365 1 18 . 1 1 794 794 GLU N N 794 122.660 122.660 118.447 4.213 19955 13366 1 18 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.526 -0.316 19955 13367 1 18 . 1 1 794 794 GLU C C 794 175.970 175.970 176.241 -0.271 19955 13368 1 18 . 1 1 794 794 GLU CA C 794 56.849 56.849 55.879 0.970 19955 13369 1 18 . 1 1 794 794 GLU CB C 794 30.261 30.261 30.490 -0.229 19955 13370 1 18 . 1 1 794 794 GLU H H 794 8.565 8.565 8.199 0.366 19955 13371 1 18 . 1 1 795 795 MET N N 795 119.544 119.544 119.037 0.507 19955 13372 1 18 . 1 1 795 795 MET HA H 795 4.653 4.653 5.118 -0.465 19955 13373 1 18 . 1 1 795 795 MET C C 795 175.590 175.590 176.518 -0.928 19955 13374 1 18 . 1 1 795 795 MET CA C 795 55.135 55.135 56.162 -1.027 19955 13375 1 18 . 1 1 795 795 MET CB C 795 32.378 32.378 34.705 -2.326 19955 13376 1 18 . 1 1 795 795 MET H H 795 8.156 8.156 7.688 0.468 19955 13377 1 18 . 1 1 796 796 ARG N N 796 122.177 122.177 120.893 1.284 19955 13378 1 18 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.893 0.018 19955 13379 1 18 . 1 1 796 796 ARG C C 796 173.378 173.378 173.347 0.031 19955 13380 1 18 . 1 1 796 796 ARG CA C 796 52.935 52.935 54.106 -1.171 19955 13381 1 18 . 1 1 796 796 ARG CB C 796 32.172 32.172 33.190 -1.018 19955 13382 1 18 . 1 1 796 796 ARG H H 796 8.358 8.358 8.803 -0.445 19955 13383 1 18 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.304 0.392 19955 13384 1 18 . 1 1 797 797 PRO C C 797 175.805 175.805 175.243 0.562 19955 13385 1 18 . 1 1 797 797 PRO CA C 797 62.157 62.157 63.151 -0.994 19955 13386 1 18 . 1 1 797 797 PRO CB C 797 32.377 32.377 31.945 0.432 19955 13387 1 18 . 1 1 798 798 ALA N N 798 123.383 123.383 124.482 -1.099 19955 13388 1 18 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.948 -0.249 19955 13389 1 18 . 1 1 798 798 ALA C C 798 173.534 173.534 174.982 -1.448 19955 13390 1 18 . 1 1 798 798 ALA CA C 798 50.823 50.823 50.131 0.692 19955 13391 1 18 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.583 0.140 19955 13392 1 18 . 1 1 798 798 ALA H H 798 8.820 8.820 8.991 -0.171 19955 13393 1 18 . 1 1 799 799 ARG N N 799 118.968 118.968 121.137 -2.169 19955 13394 1 18 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.900 0.441 19955 13395 1 18 . 1 1 799 799 ARG C C 799 176.215 176.215 174.811 1.404 19955 13396 1 18 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.037 -0.915 19955 13397 1 18 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.964 0.475 19955 13398 1 18 . 1 1 799 799 ARG H H 799 8.803 8.803 8.089 0.714 19955 13399 1 18 . 1 1 800 800 ALA N N 800 128.073 128.073 130.145 -2.072 19955 13400 1 18 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.588 -0.051 19955 13401 1 18 . 1 1 800 800 ALA C C 800 178.146 178.146 176.993 1.153 19955 13402 1 18 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.608 0.600 19955 13403 1 18 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.301 -0.647 19955 13404 1 18 . 1 1 800 800 ALA H H 800 9.037 9.037 8.986 0.051 19955 13405 1 18 . 1 1 801 801 LYS N N 801 127.334 127.334 125.658 1.676 19955 13406 1 18 . 1 1 801 801 LYS HA H 801 3.758 3.758 3.884 -0.126 19955 13407 1 18 . 1 1 801 801 LYS C C 801 174.213 174.213 176.173 -1.960 19955 13408 1 18 . 1 1 801 801 LYS CA C 801 57.344 57.344 58.843 -1.499 19955 13409 1 18 . 1 1 801 801 LYS CB C 801 33.647 33.647 32.939 0.708 19955 13410 1 18 . 1 1 801 801 LYS H H 801 9.291 9.291 8.478 0.813 19955 13411 1 18 . 1 1 802 802 PHE N N 802 111.696 111.696 115.825 -4.129 19955 13412 1 18 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.706 0.035 19955 13413 1 18 . 1 1 802 802 PHE C C 802 173.408 173.408 174.321 -0.913 19955 13414 1 18 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.949 -3.580 19955 13415 1 18 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.224 1.018 19955 13416 1 18 . 1 1 802 802 PHE H H 802 7.069 7.069 7.511 -0.442 19955 13417 1 18 . 1 1 803 803 ASP N N 803 117.498 117.498 121.418 -3.920 19955 13418 1 18 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.874 -0.350 19955 13419 1 18 . 1 1 803 803 ASP C C 803 175.782 175.782 175.083 0.699 19955 13420 1 18 . 1 1 803 803 ASP CA C 803 54.726 54.726 54.487 0.239 19955 13421 1 18 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.546 -0.392 19955 13422 1 18 . 1 1 803 803 ASP H H 803 8.339 8.339 8.640 -0.301 19955 13423 1 18 . 1 1 804 804 PHE N N 804 123.264 123.264 127.218 -3.954 19955 13424 1 18 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.687 0.305 19955 13425 1 18 . 1 1 804 804 PHE C C 804 173.750 173.750 174.039 -0.289 19955 13426 1 18 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.467 -0.246 19955 13427 1 18 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.182 -0.050 19955 13428 1 18 . 1 1 804 804 PHE H H 804 9.223 9.223 8.635 0.588 19955 13429 1 18 . 1 1 805 805 LYS N N 805 129.548 129.548 127.765 1.783 19955 13430 1 18 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.243 -0.122 19955 13431 1 18 . 1 1 805 805 LYS C C 805 174.042 174.042 174.554 -0.512 19955 13432 1 18 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.510 -0.142 19955 13433 1 18 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.358 -1.577 19955 13434 1 18 . 1 1 805 805 LYS H H 805 8.125 8.125 7.920 0.205 19955 13435 1 18 . 1 1 806 806 ALA N N 806 127.231 127.231 127.844 -0.613 19955 13436 1 18 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.222 -0.340 19955 13437 1 18 . 1 1 806 806 ALA C C 806 178.066 178.066 177.610 0.456 19955 13438 1 18 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.688 -1.090 19955 13439 1 18 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.417 1.088 19955 13440 1 18 . 1 1 806 806 ALA H H 806 7.291 7.291 8.324 -1.033 19955 13441 1 18 . 1 1 807 807 GLN N N 807 121.482 121.482 120.456 1.026 19955 13442 1 18 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.383 -0.057 19955 13443 1 18 . 1 1 807 807 GLN C C 807 175.927 175.927 176.003 -0.076 19955 13444 1 18 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.917 -0.711 19955 13445 1 18 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.223 1.719 19955 13446 1 18 . 1 1 807 807 GLN H H 807 9.375 9.375 9.116 0.259 19955 13447 1 18 . 1 1 808 808 THR N N 808 108.842 108.842 110.401 -1.559 19955 13448 1 18 . 1 1 808 808 THR HA H 808 4.661 4.661 4.519 0.142 19955 13449 1 18 . 1 1 808 808 THR C C 808 175.262 175.262 175.028 0.234 19955 13450 1 18 . 1 1 808 808 THR CA C 808 59.313 59.313 59.900 -0.587 19955 13451 1 18 . 1 1 808 808 THR CB C 808 71.810 71.810 71.731 0.079 19955 13452 1 18 . 1 1 808 808 THR H H 808 7.472 7.472 7.818 -0.346 19955 13453 1 18 . 1 1 809 809 LEU N N 809 119.518 119.518 119.329 0.189 19955 13454 1 18 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.100 0.100 19955 13455 1 18 . 1 1 809 809 LEU C C 809 177.895 177.895 176.643 1.252 19955 13456 1 18 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.290 -0.203 19955 13457 1 18 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.546 0.355 19955 13458 1 18 . 1 1 809 809 LEU H H 809 8.387 8.387 8.506 -0.119 19955 13459 1 18 . 1 1 810 810 LYS N N 810 115.587 115.587 118.445 -2.858 19955 13460 1 18 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.088 0.142 19955 13461 1 18 . 1 1 810 810 LYS C C 810 177.172 177.172 176.609 0.563 19955 13462 1 18 . 1 1 810 810 LYS CA C 810 56.807 56.807 57.859 -1.052 19955 13463 1 18 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.808 0.251 19955 13464 1 18 . 1 1 810 810 LYS H H 810 7.707 7.707 8.016 -0.309 19955 13465 1 18 . 1 1 811 811 GLU N N 811 119.522 119.522 118.249 1.273 19955 13466 1 18 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.449 0.250 19955 13467 1 18 . 1 1 811 811 GLU C C 811 174.240 174.240 175.289 -1.049 19955 13468 1 18 . 1 1 811 811 GLU CA C 811 55.419 55.419 55.990 -0.571 19955 13469 1 18 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.686 1.668 19955 13470 1 18 . 1 1 811 811 GLU H H 811 7.244 7.244 7.535 -0.291 19955 13471 1 18 . 1 1 812 812 LEU N N 812 126.910 126.910 122.585 4.325 19955 13472 1 18 . 1 1 812 812 LEU C C 812 172.269 172.269 175.674 -3.405 19955 13473 1 18 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.389 -0.878 19955 13474 1 18 . 1 1 812 812 LEU CB C 812 45.092 45.092 42.996 2.096 19955 13475 1 18 . 1 1 812 812 LEU H H 812 9.168 9.168 8.559 0.609 19955 13476 1 18 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.919 -0.482 19955 13477 1 18 . 1 1 813 813 PRO C C 813 176.755 176.755 175.631 1.124 19955 13478 1 18 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.560 -0.014 19955 13479 1 18 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.986 -1.011 19955 13480 1 18 . 1 1 814 814 LEU N N 814 118.726 118.726 121.178 -2.452 19955 13481 1 18 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.676 -0.030 19955 13482 1 18 . 1 1 814 814 LEU C C 814 176.452 176.452 175.557 0.895 19955 13483 1 18 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.775 -0.384 19955 13484 1 18 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.594 0.302 19955 13485 1 18 . 1 1 814 814 LEU H H 814 8.532 8.532 8.810 -0.278 19955 13486 1 18 . 1 1 815 815 GLN N N 815 123.473 123.473 118.979 4.494 19955 13487 1 18 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.868 -0.117 19955 13488 1 18 . 1 1 815 815 GLN C C 815 174.820 174.820 175.206 -0.386 19955 13489 1 18 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.633 -0.297 19955 13490 1 18 . 1 1 815 815 GLN CB C 815 31.094 31.094 31.681 -0.587 19955 13491 1 18 . 1 1 815 815 GLN H H 815 8.938 8.938 8.400 0.538 19955 13492 1 18 . 1 1 816 816 LYS N N 816 122.982 122.982 125.278 -2.296 19955 13493 1 18 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.594 -0.479 19955 13494 1 18 . 1 1 816 816 LYS C C 816 177.030 177.030 177.483 -0.453 19955 13495 1 18 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.295 0.380 19955 13496 1 18 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.976 0.266 19955 13497 1 18 . 1 1 816 816 LYS H H 816 8.888 8.888 8.935 -0.047 19955 13498 1 18 . 1 1 817 817 GLY N N 817 115.370 115.370 115.213 0.157 19955 13499 1 18 . 1 1 817 817 GLY C C 817 174.271 174.271 174.271 0.000 19955 13500 1 18 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.494 0.167 19955 13501 1 18 . 1 1 817 817 GLY H H 817 8.870 8.870 8.888 -0.018 19955 13502 1 18 . 1 1 818 818 ASP N N 818 123.102 123.102 121.636 1.466 19955 13503 1 18 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.396 -0.067 19955 13504 1 18 . 1 1 818 818 ASP C C 818 175.076 175.076 175.229 -0.153 19955 13505 1 18 . 1 1 818 818 ASP CA C 818 55.595 55.595 55.062 0.533 19955 13506 1 18 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.708 -0.170 19955 13507 1 18 . 1 1 818 818 ASP H H 818 8.468 8.468 8.178 0.290 19955 13508 1 18 . 1 1 819 819 ILE N N 819 121.053 121.053 123.717 -2.664 19955 13509 1 18 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.614 0.206 19955 13510 1 18 . 1 1 819 819 ILE C C 819 175.630 175.630 175.179 0.451 19955 13511 1 18 . 1 1 819 819 ILE CA C 819 58.602 58.602 58.499 0.103 19955 13512 1 18 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.895 -1.354 19955 13513 1 18 . 1 1 819 819 ILE H H 819 8.286 8.286 8.366 -0.080 19955 13514 1 18 . 1 1 820 820 VAL N N 820 124.554 124.554 121.387 3.167 19955 13515 1 18 . 1 1 820 820 VAL HA H 820 4.679 4.679 5.112 -0.433 19955 13516 1 18 . 1 1 820 820 VAL C C 820 172.751 172.751 174.036 -1.285 19955 13517 1 18 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.190 -0.329 19955 13518 1 18 . 1 1 820 820 VAL CB C 820 34.372 34.372 34.503 -0.131 19955 13519 1 18 . 1 1 820 820 VAL H H 820 8.717 8.717 8.726 -0.009 19955 13520 1 18 . 1 1 821 821 TYR N N 821 120.296 120.296 122.360 -2.064 19955 13521 1 18 . 1 1 821 821 TYR HA H 821 4.803 4.803 4.811 -0.008 19955 13522 1 18 . 1 1 821 821 TYR C C 821 175.760 175.760 175.769 -0.009 19955 13523 1 18 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.959 -0.121 19955 13524 1 18 . 1 1 821 821 TYR CB C 821 40.132 40.132 39.821 0.311 19955 13525 1 18 . 1 1 821 821 TYR H H 821 8.360 8.360 8.859 -0.499 19955 13526 1 18 . 1 1 822 822 ILE N N 822 123.440 123.440 125.338 -1.898 19955 13527 1 18 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.542 -0.677 19955 13528 1 18 . 1 1 822 822 ILE C C 822 176.541 176.541 176.145 0.396 19955 13529 1 18 . 1 1 822 822 ILE CA C 822 62.327 62.327 61.927 0.400 19955 13530 1 18 . 1 1 822 822 ILE CB C 822 39.429 39.429 38.399 1.030 19955 13531 1 18 . 1 1 822 822 ILE H H 822 8.991 8.991 8.405 0.586 19955 13532 1 18 . 1 1 823 823 TYR N N 823 127.197 127.197 125.643 1.554 19955 13533 1 18 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.980 0.088 19955 13534 1 18 . 1 1 823 823 TYR C C 823 176.327 176.327 174.807 1.520 19955 13535 1 18 . 1 1 823 823 TYR CA C 823 56.331 56.331 56.081 0.250 19955 13536 1 18 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.584 -2.299 19955 13537 1 18 . 1 1 823 823 TYR H H 823 9.699 9.699 8.365 1.334 19955 13538 1 18 . 1 1 824 824 LYS N N 824 113.691 113.691 119.721 -6.030 19955 13539 1 18 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.478 0.186 19955 13540 1 18 . 1 1 824 824 LYS C C 824 174.044 174.044 173.850 0.194 19955 13541 1 18 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.778 -0.477 19955 13542 1 18 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.481 0.623 19955 13543 1 18 . 1 1 824 824 LYS H H 824 7.904 7.904 7.155 0.749 19955 13544 1 18 . 1 1 825 825 GLN N N 825 122.998 122.998 125.057 -2.059 19955 13545 1 18 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.047 0.567 19955 13546 1 18 . 1 1 825 825 GLN C C 825 175.372 175.372 174.949 0.423 19955 13547 1 18 . 1 1 825 825 GLN CA C 825 55.970 55.970 55.728 0.242 19955 13548 1 18 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.303 -0.289 19955 13549 1 18 . 1 1 825 825 GLN H H 825 9.091 9.091 8.631 0.460 19955 13550 1 18 . 1 1 826 826 ILE N N 826 126.911 126.911 124.880 2.031 19955 13551 1 18 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.094 -0.144 19955 13552 1 18 . 1 1 826 826 ILE C C 826 175.447 175.447 176.052 -0.605 19955 13553 1 18 . 1 1 826 826 ILE CA C 826 62.062 62.062 61.726 0.336 19955 13554 1 18 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.473 -0.294 19955 13555 1 18 . 1 1 826 826 ILE H H 826 8.356 8.356 8.282 0.074 19955 13556 1 18 . 1 1 827 827 ASP N N 827 118.575 118.575 117.818 0.757 19955 13557 1 18 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.813 -0.394 19955 13558 1 18 . 1 1 827 827 ASP C C 827 175.673 175.673 174.592 1.081 19955 13559 1 18 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.433 0.822 19955 13560 1 18 . 1 1 827 827 ASP CB C 827 40.120 40.120 43.298 -3.179 19955 13561 1 18 . 1 1 827 827 ASP H H 827 7.952 7.952 7.816 0.136 19955 13562 1 18 . 1 1 828 828 GLN N N 828 113.633 113.633 117.170 -3.537 19955 13563 1 18 . 1 1 828 828 GLN HA H 828 3.872 3.872 3.981 -0.109 19955 13564 1 18 . 1 1 828 828 GLN C C 828 175.745 175.745 176.156 -0.411 19955 13565 1 18 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.966 -0.705 19955 13566 1 18 . 1 1 828 828 GLN CB C 828 28.498 28.498 29.079 -0.581 19955 13567 1 18 . 1 1 828 828 GLN H H 828 8.468 8.468 8.493 -0.025 19955 13568 1 18 . 1 1 829 829 ASN N N 829 114.412 114.412 114.463 -0.051 19955 13569 1 18 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.842 -0.100 19955 13570 1 18 . 1 1 829 829 ASN C C 829 175.652 175.652 174.143 1.509 19955 13571 1 18 . 1 1 829 829 ASN CA C 829 53.641 53.641 53.128 0.513 19955 13572 1 18 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.206 2.609 19955 13573 1 18 . 1 1 829 829 ASN H H 829 8.799 8.799 8.351 0.448 19955 13574 1 18 . 1 1 830 830 TRP N N 830 121.661 121.661 119.262 2.399 19955 13575 1 18 . 1 1 830 830 TRP HA H 830 4.810 4.810 4.843 -0.033 19955 13576 1 18 . 1 1 830 830 TRP C C 830 175.077 175.077 174.842 0.235 19955 13577 1 18 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.687 0.604 19955 13578 1 18 . 1 1 830 830 TRP CB C 830 32.570 32.570 31.924 0.646 19955 13579 1 18 . 1 1 830 830 TRP H H 830 8.033 8.033 7.688 0.345 19955 13580 1 18 . 1 1 831 831 TYR N N 831 120.163 120.163 120.812 -0.649 19955 13581 1 18 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.719 0.326 19955 13582 1 18 . 1 1 831 831 TYR C C 831 173.672 173.672 173.424 0.248 19955 13583 1 18 . 1 1 831 831 TYR CA C 831 56.372 56.372 57.333 -0.961 19955 13584 1 18 . 1 1 831 831 TYR CB C 831 42.726 42.726 43.120 -0.394 19955 13585 1 18 . 1 1 831 831 TYR H H 831 8.721 8.721 8.485 0.236 19955 13586 1 18 . 1 1 832 832 GLU N N 832 117.935 117.935 121.121 -3.186 19955 13587 1 18 . 1 1 832 832 GLU HA H 832 4.937 4.937 5.072 -0.135 19955 13588 1 18 . 1 1 832 832 GLU C C 832 176.121 176.121 175.024 1.097 19955 13589 1 18 . 1 1 832 832 GLU CA C 832 54.404 54.404 53.828 0.576 19955 13590 1 18 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.839 0.116 19955 13591 1 18 . 1 1 832 832 GLU H H 832 8.696 8.696 8.185 0.511 19955 13592 1 18 . 1 1 833 833 GLY N N 833 115.171 115.171 111.642 3.529 19955 13593 1 18 . 1 1 833 833 GLY C C 833 168.962 168.962 172.064 -3.102 19955 13594 1 18 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.685 0.938 19955 13595 1 18 . 1 1 833 833 GLY H H 833 9.063 9.063 8.246 0.817 19955 13596 1 18 . 1 1 834 834 GLU N N 834 117.849 117.849 120.832 -2.983 19955 13597 1 18 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.638 0.051 19955 13598 1 18 . 1 1 834 834 GLU C C 834 175.077 175.077 174.792 0.285 19955 13599 1 18 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.269 -0.303 19955 13600 1 18 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.852 1.192 19955 13601 1 18 . 1 1 834 834 GLU H H 834 8.708 8.708 8.855 -0.147 19955 13602 1 18 . 1 1 835 835 HIS N N 835 120.973 120.973 125.156 -4.183 19955 13603 1 18 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.175 -0.341 19955 13604 1 18 . 1 1 835 835 HIS C C 835 174.509 174.509 174.709 -0.200 19955 13605 1 18 . 1 1 835 835 HIS CA C 835 56.249 56.249 56.137 0.112 19955 13606 1 18 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.727 0.484 19955 13607 1 18 . 1 1 835 835 HIS H H 835 8.799 8.799 9.222 -0.423 19955 13608 1 18 . 1 1 836 836 HIS N N 836 125.728 125.728 125.640 0.088 19955 13609 1 18 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.081 0.085 19955 13610 1 18 . 1 1 836 836 HIS C C 836 175.012 175.012 174.921 0.091 19955 13611 1 18 . 1 1 836 836 HIS CA C 836 55.689 55.689 56.988 -1.299 19955 13612 1 18 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.038 -0.045 19955 13613 1 18 . 1 1 836 836 HIS H H 836 9.163 9.163 9.455 -0.292 19955 13614 1 18 . 1 1 837 837 GLY N N 837 104.909 104.909 102.967 1.942 19955 13615 1 18 . 1 1 837 837 GLY C C 837 173.235 173.235 174.038 -0.803 19955 13616 1 18 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.143 0.511 19955 13617 1 18 . 1 1 837 837 GLY H H 837 9.070 9.070 8.409 0.661 19955 13618 1 18 . 1 1 838 838 ARG N N 838 122.925 122.925 120.348 2.577 19955 13619 1 18 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.710 -0.117 19955 13620 1 18 . 1 1 838 838 ARG C C 838 173.682 173.682 174.349 -0.667 19955 13621 1 18 . 1 1 838 838 ARG CA C 838 54.881 54.881 55.087 -0.205 19955 13622 1 18 . 1 1 838 838 ARG CB C 838 32.058 32.058 32.581 -0.523 19955 13623 1 18 . 1 1 838 838 ARG H H 838 7.814 7.814 8.252 -0.438 19955 13624 1 18 . 1 1 839 839 VAL N N 839 123.572 123.572 123.289 0.283 19955 13625 1 18 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.231 -0.097 19955 13626 1 18 . 1 1 839 839 VAL C C 839 177.296 177.296 174.266 3.030 19955 13627 1 18 . 1 1 839 839 VAL CA C 839 60.200 60.200 60.437 -0.237 19955 13628 1 18 . 1 1 839 839 VAL CB C 839 33.994 33.994 34.282 -0.288 19955 13629 1 18 . 1 1 839 839 VAL H H 839 8.360 8.360 8.593 -0.233 19955 13630 1 18 . 1 1 840 840 GLY N N 840 114.006 114.006 113.864 0.142 19955 13631 1 18 . 1 1 840 840 GLY C C 840 171.246 171.246 171.594 -0.348 19955 13632 1 18 . 1 1 840 840 GLY CA C 840 45.896 45.896 44.182 1.714 19955 13633 1 18 . 1 1 840 840 GLY H H 840 8.951 8.951 7.984 0.967 19955 13634 1 18 . 1 1 841 841 ILE N N 841 112.496 112.496 115.809 -3.313 19955 13635 1 18 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.690 1.191 19955 13636 1 18 . 1 1 841 841 ILE C C 841 176.120 176.120 173.621 2.499 19955 13637 1 18 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.809 0.559 19955 13638 1 18 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.147 -0.230 19955 13639 1 18 . 1 1 841 841 ILE H H 841 8.434 8.434 8.178 0.256 19955 13640 1 18 . 1 1 842 842 PHE N N 842 116.289 116.289 119.932 -3.643 19955 13641 1 18 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.772 0.199 19955 13642 1 18 . 1 1 842 842 PHE C C 842 171.777 171.777 173.155 -1.378 19955 13643 1 18 . 1 1 842 842 PHE CA C 842 54.265 54.265 54.582 -0.317 19955 13644 1 18 . 1 1 842 842 PHE CB C 842 37.515 37.515 39.987 -2.473 19955 13645 1 18 . 1 1 842 842 PHE H H 842 8.408 8.408 8.608 -0.200 19955 13646 1 18 . 1 1 843 843 PRO HA H 843 3.934 3.934 3.834 0.100 19955 13647 1 18 . 1 1 843 843 PRO C C 843 178.228 178.228 178.045 0.183 19955 13648 1 18 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.632 -1.019 19955 13649 1 18 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.502 -0.107 19955 13650 1 18 . 1 1 844 844 ARG N N 844 122.291 122.291 125.023 -2.732 19955 13651 1 18 . 1 1 844 844 ARG HA H 844 3.944 3.944 3.779 0.165 19955 13652 1 18 . 1 1 844 844 ARG C C 844 178.171 178.171 176.632 1.539 19955 13653 1 18 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.100 -0.482 19955 13654 1 18 . 1 1 844 844 ARG CB C 844 30.297 30.297 30.367 -0.070 19955 13655 1 18 . 1 1 844 844 ARG H H 844 7.906 7.906 8.420 -0.514 19955 13656 1 18 . 1 1 845 845 THR N N 845 105.068 105.068 107.760 -2.692 19955 13657 1 18 . 1 1 845 845 THR HA H 845 4.159 4.159 4.292 -0.133 19955 13658 1 18 . 1 1 845 845 THR C C 845 175.363 175.363 175.218 0.145 19955 13659 1 18 . 1 1 845 845 THR CA C 845 63.035 63.035 63.938 -0.903 19955 13660 1 18 . 1 1 845 845 THR CB C 845 69.022 69.022 68.891 0.131 19955 13661 1 18 . 1 1 845 845 THR H H 845 7.907 7.907 7.854 0.053 19955 13662 1 18 . 1 1 846 846 TYR N N 846 118.977 118.977 120.535 -1.558 19955 13663 1 18 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.745 -0.210 19955 13664 1 18 . 1 1 846 846 TYR C C 846 174.917 174.917 174.404 0.513 19955 13665 1 18 . 1 1 846 846 TYR CA C 846 58.751 58.751 59.335 -0.584 19955 13666 1 18 . 1 1 846 846 TYR CB C 846 38.055 38.055 40.553 -2.498 19955 13667 1 18 . 1 1 846 846 TYR H H 846 7.611 7.611 8.288 -0.677 19955 13668 1 18 . 1 1 847 847 ILE N N 847 113.230 113.230 112.526 0.704 19955 13669 1 18 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.163 -0.064 19955 13670 1 18 . 1 1 847 847 ILE C C 847 174.141 174.141 173.688 0.453 19955 13671 1 18 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.305 -0.851 19955 13672 1 18 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.132 0.059 19955 13673 1 18 . 1 1 847 847 ILE H H 847 7.390 7.390 7.270 0.120 19955 13674 1 18 . 1 1 848 848 GLU N N 848 121.909 121.909 119.165 2.744 19955 13675 1 18 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.505 0.043 19955 13676 1 18 . 1 1 848 848 GLU C C 848 175.193 175.193 175.136 0.057 19955 13677 1 18 . 1 1 848 848 GLU CA C 848 53.664 53.664 53.817 -0.153 19955 13678 1 18 . 1 1 848 848 GLU CB C 848 32.624 32.624 33.838 -1.214 19955 13679 1 18 . 1 1 848 848 GLU H H 848 8.786 8.786 8.652 0.135 19955 13680 1 18 . 1 1 849 849 LEU N N 849 126.431 126.431 123.307 3.124 19955 13681 1 18 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.326 -0.235 19955 13682 1 18 . 1 1 849 849 LEU C C 849 177.019 177.019 176.156 0.863 19955 13683 1 18 . 1 1 849 849 LEU CA C 849 55.667 55.667 53.810 1.857 19955 13684 1 18 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.279 -0.737 19955 13685 1 18 . 1 1 849 849 LEU H H 849 8.730 8.730 8.498 0.232 19955 13686 1 18 . 1 1 850 850 LEU N N 850 123.942 123.942 124.462 -0.520 19955 13687 1 18 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.031 0.531 19955 13688 1 18 . 1 1 850 850 LEU C C 850 174.453 174.453 174.182 0.271 19955 13689 1 18 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.757 -1.952 19955 13690 1 18 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.522 -0.559 19955 13691 1 18 . 1 1 850 850 LEU H H 850 7.846 7.846 8.612 -0.766 19955 13692 1 18 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.334 -0.005 19955 13693 1 18 . 1 1 852 852 PRO C C 852 176.580 176.580 176.698 -0.118 19955 13694 1 18 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.826 -0.923 19955 13695 1 18 . 1 1 852 852 PRO CB C 852 31.765 31.765 31.918 -0.153 19955 13696 1 18 . 1 1 853 853 ALA N N 853 124.102 124.102 126.781 -2.679 19955 13697 1 18 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.297 -0.057 19955 13698 1 18 . 1 1 853 853 ALA C C 853 177.767 177.767 177.552 0.215 19955 13699 1 18 . 1 1 853 853 ALA CA C 853 52.258 52.258 52.257 0.001 19955 13700 1 18 . 1 1 853 853 ALA CB C 853 19.516 19.516 18.850 0.666 19955 13701 1 18 . 1 1 853 853 ALA H H 853 8.354 8.354 8.401 -0.047 19955 13702 1 18 . 1 1 854 854 GLU N N 854 120.540 120.540 119.964 0.576 19955 13703 1 18 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.238 -0.035 19955 13704 1 18 . 1 1 854 854 GLU C C 854 176.402 176.402 175.969 0.433 19955 13705 1 18 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.008 0.372 19955 13706 1 18 . 1 1 854 854 GLU CB C 854 30.432 30.432 30.082 0.350 19955 13707 1 18 . 1 1 854 854 GLU H H 854 8.348 8.348 8.325 0.023 19955 13708 1 18 . 1 1 855 855 LYS N N 855 122.717 122.717 116.735 5.982 19955 13709 1 18 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.616 -0.401 19955 13710 1 18 . 1 1 855 855 LYS C C 855 176.078 176.078 175.135 0.943 19955 13711 1 18 . 1 1 855 855 LYS CA C 855 56.018 56.018 55.496 0.522 19955 13712 1 18 . 1 1 855 855 LYS CB C 855 33.187 33.187 33.724 -0.537 19955 13713 1 18 . 1 1 855 855 LYS H H 855 8.305 8.305 8.347 -0.042 19955 13714 1 18 . 1 1 856 856 ALA N N 856 125.584 125.584 125.235 0.349 19955 13715 1 18 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.493 -0.252 19955 13716 1 18 . 1 1 856 856 ALA C C 856 177.276 177.276 175.985 1.291 19955 13717 1 18 . 1 1 856 856 ALA CA C 856 52.046 52.046 52.017 0.029 19955 13718 1 18 . 1 1 856 856 ALA CB C 856 19.294 19.294 18.995 0.299 19955 13719 1 18 . 1 1 856 856 ALA H H 856 8.219 8.219 8.504 -0.285 19955 13720 1 18 . 1 1 857 857 GLN N N 857 121.223 121.223 120.494 0.729 19955 13721 1 18 . 1 1 857 857 GLN C C 857 173.964 173.964 173.730 0.234 19955 13722 1 18 . 1 1 857 857 GLN CA C 857 53.490 53.490 53.783 -0.293 19955 13723 1 18 . 1 1 857 857 GLN CB C 857 29.040 29.040 29.055 -0.015 19955 13724 1 18 . 1 1 857 857 GLN H H 857 8.333 8.333 8.182 0.151 19955 13725 1 18 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.460 -0.122 19955 13726 1 18 . 1 1 858 858 PRO C C 858 176.696 176.696 176.120 0.576 19955 13727 1 18 . 1 1 858 858 PRO CA C 858 62.910 62.910 62.803 0.107 19955 13728 1 18 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.401 -0.326 19955 13729 1 18 . 1 1 859 859 LYS N N 859 121.891 121.891 121.703 0.188 19955 13730 1 18 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.279 -0.089 19955 13731 1 18 . 1 1 859 859 LYS C C 859 176.382 176.382 176.773 -0.391 19955 13732 1 18 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.075 0.055 19955 13733 1 18 . 1 1 859 859 LYS CB C 859 33.070 33.070 32.931 0.140 19955 13734 1 18 . 1 1 859 859 LYS H H 859 8.355 8.355 8.362 -0.007 19955 13735 1 18 . 1 1 860 860 LYS N N 860 123.002 123.002 123.920 -0.918 19955 13736 1 18 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.438 -0.193 19955 13737 1 18 . 1 1 860 860 LYS C C 860 176.131 176.131 176.004 0.127 19955 13738 1 18 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.115 -0.263 19955 13739 1 18 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.597 0.551 19955 13740 1 18 . 1 1 860 860 LYS H H 860 8.267 8.267 8.420 -0.153 19955 13741 1 18 . 1 1 861 861 LEU N N 861 124.576 124.576 125.110 -0.534 19955 13742 1 18 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.503 -0.147 19955 13743 1 18 . 1 1 861 861 LEU C C 861 177.069 177.069 176.424 0.645 19955 13744 1 18 . 1 1 861 861 LEU CA C 861 54.795 54.795 54.709 0.086 19955 13745 1 18 . 1 1 861 861 LEU CB C 861 42.350 42.350 42.790 -0.440 19955 13746 1 18 . 1 1 861 861 LEU H H 861 8.316 8.316 8.804 -0.488 19955 13747 1 18 . 1 1 862 862 THR N N 862 117.878 117.878 111.245 6.633 19955 13748 1 18 . 1 1 862 862 THR HA H 862 4.729 4.729 4.151 0.578 19955 13749 1 18 . 1 1 862 862 THR C C 862 172.639 172.639 173.231 -0.592 19955 13750 1 18 . 1 1 862 862 THR CA C 862 59.644 59.644 61.334 -1.690 19955 13751 1 18 . 1 1 862 862 THR CB C 862 69.476 69.476 68.320 1.156 19955 13752 1 18 . 1 1 862 862 THR H H 862 8.162 8.162 8.070 0.092 19955 13753 1 18 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.392 -0.024 19955 13754 1 18 . 1 1 863 863 PRO C C 863 176.753 176.753 177.260 -0.507 19955 13755 1 18 . 1 1 863 863 PRO CA C 863 63.192 63.192 63.112 0.080 19955 13756 1 18 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.456 -0.398 19955 13757 1 18 . 1 1 864 864 VAL N N 864 120.359 120.359 122.251 -1.892 19955 13758 1 18 . 1 1 864 864 VAL HA H 864 3.985 3.985 3.980 0.005 19955 13759 1 18 . 1 1 864 864 VAL C C 864 175.964 175.964 176.700 -0.736 19955 13760 1 18 . 1 1 864 864 VAL CA C 864 62.342 62.342 62.888 -0.546 19955 13761 1 18 . 1 1 864 864 VAL CB C 864 32.521 32.521 31.774 0.747 19955 13762 1 18 . 1 1 864 864 VAL H H 864 8.102 8.102 8.051 0.051 19955 13763 1 18 . 1 1 865 865 GLN N N 865 124.642 124.642 117.689 6.953 19955 13764 1 18 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.087 0.199 19955 13765 1 18 . 1 1 865 865 GLN C C 865 175.443 175.443 174.445 0.998 19955 13766 1 18 . 1 1 865 865 GLN CA C 865 55.595 55.595 56.964 -1.369 19955 13767 1 18 . 1 1 865 865 GLN CB C 865 29.739 29.739 27.636 2.103 19955 13768 1 18 . 1 1 865 865 GLN H H 865 8.333 8.333 8.483 -0.150 19955 13769 1 18 . 1 1 866 866 VAL N N 866 123.436 123.436 120.765 2.671 19955 13770 1 18 . 1 1 866 866 VAL HA H 866 3.969 3.969 3.961 0.008 19955 13771 1 18 . 1 1 866 866 VAL C C 866 175.685 175.685 175.444 0.241 19955 13772 1 18 . 1 1 866 866 VAL CA C 866 62.398 62.398 62.685 -0.287 19955 13773 1 18 . 1 1 866 866 VAL CB C 866 32.832 32.832 31.922 0.910 19955 13774 1 18 . 1 1 866 866 VAL H H 866 8.189 8.189 7.618 0.571 19955 13775 1 18 . 1 1 867 867 LEU N N 867 127.515 127.515 128.156 -0.641 19955 13776 1 18 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.544 -0.282 19955 13777 1 18 . 1 1 867 867 LEU C C 867 177.037 177.037 176.479 0.558 19955 13778 1 18 . 1 1 867 867 LEU CA C 867 55.688 55.688 53.660 2.028 19955 13779 1 18 . 1 1 867 867 LEU CB C 867 42.552 42.552 43.184 -0.632 19955 13780 1 18 . 1 1 867 867 LEU H H 867 8.679 8.679 8.330 0.349 19955 13781 1 18 . 1 1 868 868 GLU N N 868 120.794 120.794 123.616 -2.822 19955 13782 1 18 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.167 0.052 19955 13783 1 18 . 1 1 868 868 GLU C C 868 175.353 175.353 176.722 -1.369 19955 13784 1 18 . 1 1 868 868 GLU CA C 868 55.753 55.753 56.941 -1.188 19955 13785 1 18 . 1 1 868 868 GLU CB C 868 31.419 31.419 30.165 1.254 19955 13786 1 18 . 1 1 868 868 GLU H H 868 8.272 8.272 8.509 -0.237 19955 13787 1 18 . 1 1 869 869 TYR N N 869 121.165 121.165 121.646 -0.481 19955 13788 1 18 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.145 0.555 19955 13789 1 18 . 1 1 869 869 TYR C C 869 176.824 176.824 176.380 0.444 19955 13790 1 18 . 1 1 869 869 TYR CA C 869 56.809 56.809 59.345 -2.536 19955 13791 1 18 . 1 1 869 869 TYR CB C 869 38.650 38.650 38.228 0.422 19955 13792 1 18 . 1 1 869 869 TYR H H 869 8.003 8.003 8.025 -0.022 19955 13793 1 18 . 1 1 870 870 GLY N N 870 104.958 104.958 106.056 -1.098 19955 13794 1 18 . 1 1 870 870 GLY C C 870 173.846 173.846 172.677 1.169 19955 13795 1 18 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.571 -0.352 19955 13796 1 18 . 1 1 870 870 GLY H H 870 8.590 8.590 8.465 0.125 19955 13797 1 18 . 1 1 871 871 GLU N N 871 122.341 122.341 118.489 3.852 19955 13798 1 18 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.237 -0.015 19955 13799 1 18 . 1 1 871 871 GLU C C 871 173.827 173.827 174.558 -0.731 19955 13800 1 18 . 1 1 871 871 GLU CA C 871 55.859 55.859 55.328 0.531 19955 13801 1 18 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.445 0.489 19955 13802 1 18 . 1 1 871 871 GLU H H 871 9.246 9.246 8.184 1.062 19955 13803 1 18 . 1 1 872 872 ALA N N 872 126.709 126.709 123.792 2.917 19955 13804 1 18 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.386 -0.282 19955 13805 1 18 . 1 1 872 872 ALA C C 872 174.022 174.022 174.879 -0.857 19955 13806 1 18 . 1 1 872 872 ALA CA C 872 50.135 50.135 50.856 -0.721 19955 13807 1 18 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.941 1.557 19955 13808 1 18 . 1 1 872 872 ALA H H 872 9.266 9.266 8.865 0.401 19955 13809 1 18 . 1 1 873 873 ILE N N 873 118.554 118.554 119.971 -1.417 19955 13810 1 18 . 1 1 873 873 ILE HA H 873 4.614 4.614 5.068 -0.454 19955 13811 1 18 . 1 1 873 873 ILE C C 873 176.132 176.132 175.576 0.556 19955 13812 1 18 . 1 1 873 873 ILE CA C 873 58.788 58.788 57.513 1.275 19955 13813 1 18 . 1 1 873 873 ILE CB C 873 40.630 40.630 40.926 -0.296 19955 13814 1 18 . 1 1 873 873 ILE H H 873 8.522 8.522 8.677 -0.155 19955 13815 1 18 . 1 1 874 874 ALA N N 874 129.739 129.739 131.166 -1.427 19955 13816 1 18 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.114 -0.077 19955 13817 1 18 . 1 1 874 874 ALA C C 874 178.259 178.259 177.479 0.780 19955 13818 1 18 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.550 0.787 19955 13819 1 18 . 1 1 874 874 ALA CB C 874 21.278 21.278 18.951 2.326 19955 13820 1 18 . 1 1 874 874 ALA H H 874 8.608 8.608 8.412 0.197 19955 13821 1 18 . 1 1 875 875 LYS N N 875 127.308 127.308 125.855 1.453 19955 13822 1 18 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.824 0.200 19955 13823 1 18 . 1 1 875 875 LYS C C 875 174.098 174.098 176.129 -2.031 19955 13824 1 18 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.564 -1.465 19955 13825 1 18 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.588 1.396 19955 13826 1 18 . 1 1 875 875 LYS H H 875 9.298 9.298 8.792 0.506 19955 13827 1 18 . 1 1 876 876 PHE N N 876 113.423 113.423 115.534 -2.111 19955 13828 1 18 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.667 0.244 19955 13829 1 18 . 1 1 876 876 PHE C C 876 174.050 174.050 174.974 -0.924 19955 13830 1 18 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.070 -2.225 19955 13831 1 18 . 1 1 876 876 PHE CB C 876 43.742 43.742 40.625 3.117 19955 13832 1 18 . 1 1 876 876 PHE H H 876 7.328 7.328 7.514 -0.186 19955 13833 1 18 . 1 1 877 877 ASN N N 877 116.437 116.437 121.159 -4.722 19955 13834 1 18 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.755 0.034 19955 13835 1 18 . 1 1 877 877 ASN C C 877 174.454 174.454 174.316 0.138 19955 13836 1 18 . 1 1 877 877 ASN CA C 877 53.535 53.535 54.061 -0.526 19955 13837 1 18 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.732 -0.525 19955 13838 1 18 . 1 1 877 877 ASN H H 877 8.666 8.666 8.557 0.109 19955 13839 1 18 . 1 1 878 878 PHE N N 878 123.179 123.179 128.166 -4.987 19955 13840 1 18 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.848 -0.183 19955 13841 1 18 . 1 1 878 878 PHE C C 878 173.027 173.027 172.592 0.435 19955 13842 1 18 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.301 -0.197 19955 13843 1 18 . 1 1 878 878 PHE CB C 878 42.086 42.086 43.016 -0.930 19955 13844 1 18 . 1 1 878 878 PHE H H 878 8.433 8.433 8.833 -0.400 19955 13845 1 18 . 1 1 879 879 ASN N N 879 127.113 127.113 122.220 4.893 19955 13846 1 18 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.374 0.188 19955 13847 1 18 . 1 1 879 879 ASN C C 879 173.174 173.174 172.822 0.352 19955 13848 1 18 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.053 -0.124 19955 13849 1 18 . 1 1 879 879 ASN CB C 879 39.387 39.387 40.538 -1.151 19955 13850 1 18 . 1 1 879 879 ASN H H 879 8.000 8.000 7.845 0.155 19955 13851 1 18 . 1 1 880 880 GLY N N 880 110.949 110.949 106.988 3.961 19955 13852 1 18 . 1 1 880 880 GLY C C 880 173.383 173.383 174.007 -0.624 19955 13853 1 18 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.174 1.484 19955 13854 1 18 . 1 1 880 880 GLY H H 880 7.997 7.997 8.088 -0.091 19955 13855 1 18 . 1 1 881 881 ASP N N 881 122.408 122.408 123.605 -1.197 19955 13856 1 18 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.827 -0.194 19955 13857 1 18 . 1 1 881 881 ASP C C 881 176.286 176.286 176.453 -0.167 19955 13858 1 18 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.650 0.546 19955 13859 1 18 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.739 1.401 19955 13860 1 18 . 1 1 881 881 ASP H H 881 8.796 8.796 8.300 0.496 19955 13861 1 18 . 1 1 882 882 THR N N 882 108.354 108.354 111.213 -2.859 19955 13862 1 18 . 1 1 882 882 THR HA H 882 4.583 4.583 4.720 -0.137 19955 13863 1 18 . 1 1 882 882 THR C C 882 175.948 175.948 175.489 0.459 19955 13864 1 18 . 1 1 882 882 THR CA C 882 60.352 60.352 60.222 0.130 19955 13865 1 18 . 1 1 882 882 THR CB C 882 71.649 71.649 71.733 -0.084 19955 13866 1 18 . 1 1 882 882 THR H H 882 7.541 7.541 7.437 0.104 19955 13867 1 18 . 1 1 883 883 GLN N N 883 118.622 118.622 119.257 -0.635 19955 13868 1 18 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.126 0.026 19955 13869 1 18 . 1 1 883 883 GLN C C 883 176.478 176.478 176.885 -0.407 19955 13870 1 18 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.459 -0.264 19955 13871 1 18 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.511 0.158 19955 13872 1 18 . 1 1 883 883 GLN H H 883 8.710 8.710 8.736 -0.026 19955 13873 1 18 . 1 1 884 884 VAL N N 884 111.473 111.473 110.436 1.037 19955 13874 1 18 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.899 0.308 19955 13875 1 18 . 1 1 884 884 VAL C C 884 176.430 176.430 175.610 0.820 19955 13876 1 18 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.711 -1.418 19955 13877 1 18 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.603 0.321 19955 13878 1 18 . 1 1 884 884 VAL H H 884 7.260 7.260 7.849 -0.589 19955 13879 1 18 . 1 1 885 885 GLU N N 885 121.794 121.794 119.350 2.444 19955 13880 1 18 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.722 0.186 19955 13881 1 18 . 1 1 885 885 GLU C C 885 175.369 175.369 175.586 -0.217 19955 13882 1 18 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.416 -0.106 19955 13883 1 18 . 1 1 885 885 GLU CB C 885 31.789 31.789 31.180 0.609 19955 13884 1 18 . 1 1 885 885 GLU H H 885 7.455 7.455 7.584 -0.129 19955 13885 1 18 . 1 1 886 886 MET N N 886 125.473 125.473 124.525 0.948 19955 13886 1 18 . 1 1 886 886 MET HA H 886 4.534 4.534 4.834 -0.300 19955 13887 1 18 . 1 1 886 886 MET C C 886 172.841 172.841 175.475 -2.634 19955 13888 1 18 . 1 1 886 886 MET CA C 886 54.129 54.129 53.629 0.500 19955 13889 1 18 . 1 1 886 886 MET CB C 886 35.157 35.157 34.825 0.332 19955 13890 1 18 . 1 1 886 886 MET H H 886 8.996 8.996 9.074 -0.078 19955 13891 1 18 . 1 1 887 887 SER N N 887 118.425 118.425 121.481 -3.056 19955 13892 1 18 . 1 1 887 887 SER HA H 887 4.402 4.402 4.266 0.136 19955 13893 1 18 . 1 1 887 887 SER C C 887 174.667 174.667 173.556 1.111 19955 13894 1 18 . 1 1 887 887 SER CA C 887 58.612 58.612 58.394 0.218 19955 13895 1 18 . 1 1 887 887 SER CB C 887 64.186 64.186 64.173 0.013 19955 13896 1 18 . 1 1 887 887 SER H H 887 7.888 7.888 8.597 -0.709 19955 13897 1 18 . 1 1 888 888 PHE N N 888 116.363 116.363 115.575 0.788 19955 13898 1 18 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.904 -0.390 19955 13899 1 18 . 1 1 888 888 PHE C C 888 174.756 174.756 173.044 1.712 19955 13900 1 18 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.704 -0.168 19955 13901 1 18 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.179 -0.377 19955 13902 1 18 . 1 1 888 888 PHE H H 888 8.780 8.780 8.379 0.401 19955 13903 1 18 . 1 1 889 889 ARG N N 889 121.944 121.944 119.792 2.152 19955 13904 1 18 . 1 1 889 889 ARG HA H 889 4.972 4.972 5.003 -0.031 19955 13905 1 18 . 1 1 889 889 ARG C C 889 175.318 175.318 176.963 -1.645 19955 13906 1 18 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.202 -0.904 19955 13907 1 18 . 1 1 889 889 ARG CB C 889 32.886 32.886 32.352 0.534 19955 13908 1 18 . 1 1 889 889 ARG H H 889 10.187 10.187 8.613 1.574 19955 13909 1 18 . 1 1 890 890 LYS N N 890 119.991 119.991 121.804 -1.813 19955 13910 1 18 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.955 -0.707 19955 13911 1 18 . 1 1 890 890 LYS C C 890 176.504 176.504 177.892 -1.388 19955 13912 1 18 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.253 0.143 19955 13913 1 18 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.364 0.465 19955 13914 1 18 . 1 1 890 890 LYS H H 890 8.360 8.360 8.632 -0.272 19955 13915 1 18 . 1 1 891 891 GLY N N 891 113.950 113.950 114.857 -0.907 19955 13916 1 18 . 1 1 891 891 GLY C C 891 174.298 174.298 174.453 -0.155 19955 13917 1 18 . 1 1 891 891 GLY CA C 891 44.668 44.668 44.855 -0.187 19955 13918 1 18 . 1 1 891 891 GLY H H 891 8.673 8.673 8.704 -0.031 19955 13919 1 18 . 1 1 892 892 GLU N N 892 119.511 119.511 121.468 -1.957 19955 13920 1 18 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.291 -0.175 19955 13921 1 18 . 1 1 892 892 GLU C C 892 174.618 174.618 176.135 -1.517 19955 13922 1 18 . 1 1 892 892 GLU CA C 892 59.515 59.515 56.600 2.915 19955 13923 1 18 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.582 -0.001 19955 13924 1 18 . 1 1 892 892 GLU H H 892 7.856 7.856 7.920 -0.064 19955 13925 1 18 . 1 1 893 893 ARG N N 893 122.979 122.979 121.722 1.257 19955 13926 1 18 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.969 -0.372 19955 13927 1 18 . 1 1 893 893 ARG C C 893 174.836 174.836 176.100 -1.264 19955 13928 1 18 . 1 1 893 893 ARG CA C 893 55.528 55.528 55.932 -0.404 19955 13929 1 18 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.553 -0.513 19955 13930 1 18 . 1 1 893 893 ARG H H 893 8.120 8.120 8.494 -0.374 19955 13931 1 18 . 1 1 894 894 ILE N N 894 122.659 122.659 124.116 -1.457 19955 13932 1 18 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.411 -0.348 19955 13933 1 18 . 1 1 894 894 ILE C C 894 175.789 175.789 174.427 1.362 19955 13934 1 18 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.116 0.150 19955 13935 1 18 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.724 0.703 19955 13936 1 18 . 1 1 894 894 ILE H H 894 8.586 8.586 8.963 -0.377 19955 13937 1 18 . 1 1 895 895 THR N N 895 124.709 124.709 121.549 3.160 19955 13938 1 18 . 1 1 895 895 THR HA H 895 4.441 4.441 4.857 -0.416 19955 13939 1 18 . 1 1 895 895 THR C C 895 174.124 174.124 174.167 -0.043 19955 13940 1 18 . 1 1 895 895 THR CA C 895 62.837 62.837 61.709 1.128 19955 13941 1 18 . 1 1 895 895 THR CB C 895 69.246 69.246 69.814 -0.568 19955 13942 1 18 . 1 1 895 895 THR H H 895 9.078 9.078 8.755 0.323 19955 13943 1 18 . 1 1 896 896 LEU N N 896 122.648 122.648 128.012 -5.364 19955 13944 1 18 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.394 -0.005 19955 13945 1 18 . 1 1 896 896 LEU C C 896 174.836 174.836 176.412 -1.576 19955 13946 1 18 . 1 1 896 896 LEU H H 896 8.583 8.583 8.174 0.409 19955 13947 1 18 . 1 1 897 897 LEU N N 897 124.502 124.502 125.053 -0.551 19955 13948 1 18 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.693 -0.361 19955 13949 1 18 . 1 1 897 897 LEU C C 897 176.645 176.645 177.001 -0.356 19955 13950 1 18 . 1 1 897 897 LEU CA C 897 56.226 56.226 56.176 0.050 19955 13951 1 18 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.314 -0.983 19955 13952 1 18 . 1 1 897 897 LEU H H 897 8.984 8.984 8.787 0.197 19955 13953 1 18 . 1 1 898 898 ARG N N 898 108.422 108.422 114.864 -6.442 19955 13954 1 18 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.648 -0.206 19955 13955 1 18 . 1 1 898 898 ARG C C 898 173.645 173.645 173.467 0.178 19955 13956 1 18 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.087 0.153 19955 13957 1 18 . 1 1 898 898 ARG CB C 898 31.609 31.609 32.083 -0.474 19955 13958 1 18 . 1 1 898 898 ARG H H 898 7.413 7.413 7.684 -0.271 19955 13959 1 18 . 1 1 899 899 GLN N N 899 124.503 124.503 120.688 3.815 19955 13960 1 18 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.622 -0.430 19955 13961 1 18 . 1 1 899 899 GLN C C 899 175.142 175.142 175.718 -0.576 19955 13962 1 18 . 1 1 899 899 GLN CA C 899 56.296 56.296 54.944 1.352 19955 13963 1 18 . 1 1 899 899 GLN CB C 899 28.489 28.489 30.287 -1.798 19955 13964 1 18 . 1 1 899 899 GLN H H 899 9.301 9.301 8.710 0.591 19955 13965 1 18 . 1 1 900 900 VAL N N 900 129.109 129.109 127.482 1.627 19955 13966 1 18 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.771 -0.105 19955 13967 1 18 . 1 1 900 900 VAL C C 900 175.298 175.298 176.329 -1.031 19955 13968 1 18 . 1 1 900 900 VAL CA C 900 64.773 64.773 65.019 -0.246 19955 13969 1 18 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.156 0.665 19955 13970 1 18 . 1 1 900 900 VAL H H 900 8.475 8.475 8.751 -0.276 19955 13971 1 18 . 1 1 901 901 ASP N N 901 118.573 118.573 117.717 0.856 19955 13972 1 18 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.880 -0.484 19955 13973 1 18 . 1 1 901 901 ASP C C 901 175.386 175.386 176.268 -0.882 19955 13974 1 18 . 1 1 901 901 ASP CA C 901 53.300 53.300 54.736 -1.436 19955 13975 1 18 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.136 -1.973 19955 13976 1 18 . 1 1 901 901 ASP H H 901 8.038 8.038 7.724 0.314 19955 13977 1 18 . 1 1 902 902 GLU N N 902 114.492 114.492 117.794 -3.302 19955 13978 1 18 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.528 -0.696 19955 13979 1 18 . 1 1 902 902 GLU C C 902 175.973 175.973 175.912 0.061 19955 13980 1 18 . 1 1 902 902 GLU CA C 902 59.095 59.095 57.414 1.681 19955 13981 1 18 . 1 1 902 902 GLU CB C 902 29.507 29.507 30.906 -1.399 19955 13982 1 18 . 1 1 902 902 GLU H H 902 8.784 8.784 8.296 0.488 19955 13983 1 18 . 1 1 903 903 ASN N N 903 113.835 113.835 116.671 -2.836 19955 13984 1 18 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.794 0.070 19955 13985 1 18 . 1 1 903 903 ASN C C 903 175.238 175.238 173.441 1.797 19955 13986 1 18 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.943 0.857 19955 13987 1 18 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.070 3.140 19955 13988 1 18 . 1 1 903 903 ASN H H 903 8.763 8.763 8.401 0.362 19955 13989 1 18 . 1 1 904 904 TRP N N 904 121.517 121.517 118.914 2.603 19955 13990 1 18 . 1 1 904 904 TRP HA H 904 4.950 4.950 5.022 -0.072 19955 13991 1 18 . 1 1 904 904 TRP C C 904 175.223 175.223 175.088 0.135 19955 13992 1 18 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.468 0.711 19955 13993 1 18 . 1 1 904 904 TRP CB C 904 31.286 31.286 32.812 -1.526 19955 13994 1 18 . 1 1 904 904 TRP H H 904 8.141 8.141 7.674 0.467 19955 13995 1 18 . 1 1 905 905 TYR N N 905 121.365 121.365 116.547 4.818 19955 13996 1 18 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.143 -0.227 19955 13997 1 18 . 1 1 905 905 TYR C C 905 173.702 173.702 172.611 1.091 19955 13998 1 18 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.416 0.044 19955 13999 1 18 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.347 2.054 19955 14000 1 18 . 1 1 905 905 TYR H H 905 8.550 8.550 8.375 0.175 19955 14001 1 18 . 1 1 906 906 GLU N N 906 117.356 117.356 120.768 -3.412 19955 14002 1 18 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.563 0.322 19955 14003 1 18 . 1 1 906 906 GLU C C 906 176.159 176.159 175.199 0.960 19955 14004 1 18 . 1 1 906 906 GLU CA C 906 54.795 54.795 53.869 0.926 19955 14005 1 18 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.590 -1.000 19955 14006 1 18 . 1 1 906 906 GLU H H 906 8.707 8.707 8.823 -0.116 19955 14007 1 18 . 1 1 907 907 GLY N N 907 114.506 114.506 111.087 3.419 19955 14008 1 18 . 1 1 907 907 GLY C C 907 169.408 169.408 171.892 -2.484 19955 14009 1 18 . 1 1 907 907 GLY CA C 907 45.734 45.734 44.888 0.847 19955 14010 1 18 . 1 1 907 907 GLY H H 907 9.334 9.334 8.130 1.204 19955 14011 1 18 . 1 1 908 908 ARG N N 908 114.660 114.660 116.719 -2.059 19955 14012 1 18 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.219 0.158 19955 14013 1 18 . 1 1 908 908 ARG C C 908 173.981 173.981 174.568 -0.587 19955 14014 1 18 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.101 0.176 19955 14015 1 18 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.284 0.305 19955 14016 1 18 . 1 1 908 908 ARG H H 908 8.694 8.694 8.653 0.041 19955 14017 1 18 . 1 1 909 909 ILE N N 909 124.579 124.579 122.399 2.180 19955 14018 1 18 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.641 0.278 19955 14019 1 18 . 1 1 909 909 ILE C C 909 175.024 175.024 174.151 0.873 19955 14020 1 18 . 1 1 909 909 ILE CA C 909 56.699 56.699 57.982 -1.283 19955 14021 1 18 . 1 1 909 909 ILE CB C 909 35.387 35.387 39.121 -3.734 19955 14022 1 18 . 1 1 909 909 ILE H H 909 7.757 7.757 8.105 -0.348 19955 14023 1 18 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.294 0.335 19955 14024 1 18 . 1 1 910 910 PRO C C 910 176.353 176.353 177.474 -1.121 19955 14025 1 18 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.054 -11.256 19955 14026 1 18 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.759 -1.351 19955 14027 1 18 . 1 1 911 911 GLY N N 911 118.118 118.118 112.459 5.659 19955 14028 1 18 . 1 1 911 911 GLY C C 911 173.987 173.987 175.254 -1.267 19955 14029 1 18 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.600 -0.268 19955 14030 1 18 . 1 1 911 911 GLY H H 911 7.869 7.869 8.895 -1.026 19955 14031 1 18 . 1 1 912 912 THR N N 912 109.041 109.041 111.483 -2.442 19955 14032 1 18 . 1 1 912 912 THR HA H 912 4.469 4.469 4.414 0.055 19955 14033 1 18 . 1 1 912 912 THR C C 912 174.144 174.144 174.966 -0.822 19955 14034 1 18 . 1 1 912 912 THR CA C 912 60.194 60.194 61.686 -1.492 19955 14035 1 18 . 1 1 912 912 THR CB C 912 72.812 72.812 71.759 1.053 19955 14036 1 18 . 1 1 912 912 THR H H 912 7.743 7.743 7.922 -0.179 19955 14037 1 18 . 1 1 913 913 SER N N 913 126.292 126.292 116.518 9.774 19955 14038 1 18 . 1 1 913 913 SER HA H 913 4.671 4.671 4.056 0.615 19955 14039 1 18 . 1 1 913 913 SER C C 913 174.781 174.781 173.921 0.860 19955 14040 1 18 . 1 1 913 913 SER CA C 913 57.411 57.411 59.836 -2.425 19955 14041 1 18 . 1 1 913 913 SER CB C 913 63.258 63.258 62.034 1.224 19955 14042 1 18 . 1 1 913 913 SER H H 913 7.896 7.896 8.623 -0.728 19955 14043 1 18 . 1 1 914 914 ARG N N 914 124.284 124.284 120.728 3.556 19955 14044 1 18 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.403 -0.150 19955 14045 1 18 . 1 1 914 914 ARG C C 914 174.712 174.712 175.621 -0.909 19955 14046 1 18 . 1 1 914 914 ARG CA C 914 56.960 56.960 54.601 2.359 19955 14047 1 18 . 1 1 914 914 ARG CB C 914 30.694 30.694 28.907 1.786 19955 14048 1 18 . 1 1 914 914 ARG H H 914 8.631 8.631 7.576 1.055 19955 14049 1 18 . 1 1 915 915 GLN N N 915 124.297 124.297 126.047 -1.750 19955 14050 1 18 . 1 1 915 915 GLN HA H 915 5.381 5.381 4.961 0.420 19955 14051 1 18 . 1 1 915 915 GLN C C 915 174.377 174.377 175.242 -0.865 19955 14052 1 18 . 1 1 915 915 GLN CA C 915 55.566 55.566 55.479 0.087 19955 14053 1 18 . 1 1 915 915 GLN CB C 915 31.006 31.006 30.364 0.641 19955 14054 1 18 . 1 1 915 915 GLN H H 915 8.054 8.054 8.145 -0.091 19955 14055 1 18 . 1 1 916 916 GLY N N 916 112.028 112.028 112.156 -0.128 19955 14056 1 18 . 1 1 916 916 GLY C C 916 172.185 172.185 171.552 0.633 19955 14057 1 18 . 1 1 916 916 GLY CA C 916 45.247 45.247 44.867 0.380 19955 14058 1 18 . 1 1 916 916 GLY H H 916 8.818 8.818 8.375 0.443 19955 14059 1 18 . 1 1 917 917 ILE N N 917 113.634 113.634 115.943 -2.309 19955 14060 1 18 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.402 1.626 19955 14061 1 18 . 1 1 917 917 ILE C C 917 176.584 176.584 173.486 3.098 19955 14062 1 18 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.336 1.643 19955 14063 1 18 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.473 0.752 19955 14064 1 18 . 1 1 917 917 ILE H H 917 8.714 8.714 7.541 1.173 19955 14065 1 18 . 1 1 918 918 PHE N N 918 115.806 115.806 117.868 -2.062 19955 14066 1 18 . 1 1 918 918 PHE C C 918 170.959 170.959 172.625 -1.666 19955 14067 1 18 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.328 0.291 19955 14068 1 18 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.407 -0.785 19955 14069 1 18 . 1 1 918 918 PHE H H 918 8.573 8.573 7.218 1.355 19955 14070 1 18 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.298 -0.198 19955 14071 1 18 . 1 1 919 919 PRO C C 919 178.655 178.655 177.714 0.941 19955 14072 1 18 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.869 -0.871 19955 14073 1 18 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.701 -0.491 19955 14074 1 18 . 1 1 920 920 ILE N N 920 123.677 123.677 124.047 -0.370 19955 14075 1 18 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.808 -0.117 19955 14076 1 18 . 1 1 920 920 ILE C C 920 176.798 176.798 177.792 -0.994 19955 14077 1 18 . 1 1 920 920 ILE CA C 920 63.373 63.373 65.341 -1.968 19955 14078 1 18 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.592 1.259 19955 14079 1 18 . 1 1 920 920 ILE H H 920 7.949 7.949 8.033 -0.084 19955 14080 1 18 . 1 1 921 921 THR N N 921 106.993 106.993 113.304 -6.311 19955 14081 1 18 . 1 1 921 921 THR HA H 921 4.294 4.294 4.069 0.225 19955 14082 1 18 . 1 1 921 921 THR C C 921 175.639 175.639 175.924 -0.285 19955 14083 1 18 . 1 1 921 921 THR CA C 921 62.983 62.983 65.643 -2.660 19955 14084 1 18 . 1 1 921 921 THR CB C 921 69.104 69.104 68.431 0.673 19955 14085 1 18 . 1 1 921 921 THR H H 921 7.500 7.500 8.453 -0.953 19955 14086 1 18 . 1 1 922 922 TYR N N 922 118.600 118.600 120.069 -1.469 19955 14087 1 18 . 1 1 922 922 TYR HA H 922 4.640 4.640 5.015 -0.375 19955 14088 1 18 . 1 1 922 922 TYR C C 922 175.481 175.481 174.872 0.609 19955 14089 1 18 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.029 2.419 19955 14090 1 18 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.722 -0.122 19955 14091 1 18 . 1 1 922 922 TYR H H 922 7.836 7.836 7.785 0.051 19955 14092 1 18 . 1 1 923 923 VAL N N 923 109.058 109.058 114.915 -5.857 19955 14093 1 18 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.881 0.078 19955 14094 1 18 . 1 1 923 923 VAL C C 923 172.905 172.905 174.216 -1.311 19955 14095 1 18 . 1 1 923 923 VAL CA C 923 58.490 58.490 59.004 -0.513 19955 14096 1 18 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.364 -0.077 19955 14097 1 18 . 1 1 923 923 VAL H H 923 7.701 7.701 8.006 -0.305 19955 14098 1 18 . 1 1 924 924 ASP N N 924 120.115 120.115 122.368 -2.253 19955 14099 1 18 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.791 0.143 19955 14100 1 18 . 1 1 924 924 ASP C C 924 175.863 175.863 174.969 0.894 19955 14101 1 18 . 1 1 924 924 ASP CA C 924 52.934 52.934 51.901 1.033 19955 14102 1 18 . 1 1 924 924 ASP CB C 924 42.263 42.263 42.982 -0.719 19955 14103 1 18 . 1 1 924 924 ASP H H 924 8.658 8.658 8.886 -0.228 19955 14104 1 18 . 1 1 925 925 VAL N N 925 125.090 125.090 127.590 -2.500 19955 14105 1 18 . 1 1 925 925 VAL HA H 925 3.679 3.679 3.985 -0.306 19955 14106 1 18 . 1 1 925 925 VAL C C 925 175.620 175.620 175.920 -0.300 19955 14107 1 18 . 1 1 925 925 VAL CA C 925 64.215 64.215 61.781 2.434 19955 14108 1 18 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.092 0.629 19955 14109 1 18 . 1 1 925 925 VAL H H 925 8.911 8.911 8.675 0.236 19955 14110 1 18 . 1 1 926 926 ILE N N 926 129.390 129.390 127.428 1.962 19955 14111 1 18 . 1 1 926 926 ILE HA H 926 4.037 4.037 3.942 0.095 19955 14112 1 18 . 1 1 926 926 ILE C C 926 175.683 175.683 176.634 -0.951 19955 14113 1 18 . 1 1 926 926 ILE CA C 926 61.578 61.578 62.767 -1.189 19955 14114 1 18 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.005 0.542 19955 14115 1 18 . 1 1 926 926 ILE H H 926 8.519 8.519 8.133 0.386 19955 14116 1 18 . 1 1 927 927 LYS N N 927 122.060 122.060 118.985 3.075 19955 14117 1 18 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.517 0.095 19955 14118 1 18 . 1 1 927 927 LYS C C 927 175.204 175.204 174.868 0.336 19955 14119 1 18 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.075 0.522 19955 14120 1 18 . 1 1 927 927 LYS CB C 927 35.633 35.633 35.252 0.381 19955 14121 1 18 . 1 1 927 927 LYS H H 927 8.017 8.017 7.581 0.436 19955 14122 1 18 . 1 1 928 928 ARG N N 928 126.441 126.441 121.946 4.495 19955 14123 1 18 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.598 -0.171 19955 14124 1 18 . 1 1 928 928 ARG C C 928 173.959 173.959 174.825 -0.866 19955 14125 1 18 . 1 1 928 928 ARG CA C 928 55.488 55.488 53.882 1.606 19955 14126 1 18 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.819 -0.106 19955 14127 1 18 . 1 1 928 928 ARG H H 928 8.729 8.729 8.456 0.273 19955 14128 1 18 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.489 0.024 19955 14129 1 18 . 1 1 929 929 PRO CA C 929 62.718 62.718 63.138 -0.420 19955 14130 1 18 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.274 -0.658 19955 14131 1 19 . 1 1 790 790 MET HA H 790 4.396 4.396 4.098 0.298 19955 14132 1 19 . 1 1 790 790 MET CA C 790 55.378 55.378 55.202 0.176 19955 14133 1 19 . 1 1 790 790 MET CB C 790 32.960 32.960 32.478 0.482 19955 14134 1 19 . 1 1 791 791 SER N N 791 118.373 118.373 117.127 1.246 19955 14135 1 19 . 1 1 791 791 SER HA H 791 4.362 4.362 4.416 -0.054 19955 14136 1 19 . 1 1 791 791 SER C C 791 175.043 175.043 175.836 -0.793 19955 14137 1 19 . 1 1 791 791 SER CA C 791 58.532 58.532 60.596 -2.064 19955 14138 1 19 . 1 1 791 791 SER CB C 791 63.749 63.749 63.428 0.321 19955 14139 1 19 . 1 1 791 791 SER H H 791 8.657 8.657 8.647 0.010 19955 14140 1 19 . 1 1 792 792 GLY N N 792 111.254 111.254 110.678 0.576 19955 14141 1 19 . 1 1 792 792 GLY C C 792 174.362 174.362 174.642 -0.280 19955 14142 1 19 . 1 1 792 792 GLY CA C 792 45.539 45.539 45.883 -0.344 19955 14143 1 19 . 1 1 792 792 GLY H H 792 8.560 8.560 8.184 0.376 19955 14144 1 19 . 1 1 793 793 SER N N 793 115.369 115.369 114.953 0.416 19955 14145 1 19 . 1 1 793 793 SER HA H 793 4.409 4.409 4.669 -0.260 19955 14146 1 19 . 1 1 793 793 SER C C 793 174.396 174.396 172.051 2.345 19955 14147 1 19 . 1 1 793 793 SER CA C 793 58.485 58.485 57.718 0.767 19955 14148 1 19 . 1 1 793 793 SER CB C 793 63.845 63.845 65.569 -1.724 19955 14149 1 19 . 1 1 793 793 SER H H 793 8.102 8.102 7.661 0.441 19955 14150 1 19 . 1 1 794 794 GLU N N 794 122.660 122.660 119.589 3.071 19955 14151 1 19 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.723 -0.513 19955 14152 1 19 . 1 1 794 794 GLU C C 794 175.970 175.970 175.887 0.083 19955 14153 1 19 . 1 1 794 794 GLU CA C 794 56.849 56.849 55.586 1.263 19955 14154 1 19 . 1 1 794 794 GLU CB C 794 30.261 30.261 31.295 -1.034 19955 14155 1 19 . 1 1 794 794 GLU H H 794 8.565 8.565 8.475 0.090 19955 14156 1 19 . 1 1 795 795 MET N N 795 119.544 119.544 118.806 0.738 19955 14157 1 19 . 1 1 795 795 MET HA H 795 4.653 4.653 4.673 -0.020 19955 14158 1 19 . 1 1 795 795 MET C C 795 175.590 175.590 176.303 -0.713 19955 14159 1 19 . 1 1 795 795 MET CA C 795 55.135 55.135 56.467 -1.332 19955 14160 1 19 . 1 1 795 795 MET CB C 795 32.378 32.378 34.177 -1.799 19955 14161 1 19 . 1 1 795 795 MET H H 795 8.156 8.156 8.553 -0.397 19955 14162 1 19 . 1 1 796 796 ARG N N 796 122.177 122.177 120.110 2.067 19955 14163 1 19 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.870 0.041 19955 14164 1 19 . 1 1 796 796 ARG C C 796 173.378 173.378 173.939 -0.561 19955 14165 1 19 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.353 -0.418 19955 14166 1 19 . 1 1 796 796 ARG CB C 796 32.172 32.172 30.689 1.483 19955 14167 1 19 . 1 1 796 796 ARG H H 796 8.358 8.358 8.336 0.022 19955 14168 1 19 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.119 0.577 19955 14169 1 19 . 1 1 797 797 PRO C C 797 175.805 175.805 175.500 0.305 19955 14170 1 19 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.850 -0.693 19955 14171 1 19 . 1 1 797 797 PRO CB C 797 32.377 32.377 31.889 0.488 19955 14172 1 19 . 1 1 798 798 ALA N N 798 123.383 123.383 124.077 -0.694 19955 14173 1 19 . 1 1 798 798 ALA HA H 798 4.699 4.699 5.026 -0.327 19955 14174 1 19 . 1 1 798 798 ALA C C 798 173.534 173.534 175.158 -1.624 19955 14175 1 19 . 1 1 798 798 ALA CA C 798 50.823 50.823 49.949 0.874 19955 14176 1 19 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.389 0.334 19955 14177 1 19 . 1 1 798 798 ALA H H 798 8.820 8.820 8.827 -0.007 19955 14178 1 19 . 1 1 799 799 ARG N N 799 118.968 118.968 121.089 -2.121 19955 14179 1 19 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.950 0.391 19955 14180 1 19 . 1 1 799 799 ARG C C 799 176.215 176.215 174.804 1.411 19955 14181 1 19 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.034 -0.912 19955 14182 1 19 . 1 1 799 799 ARG CB C 799 34.439 34.439 34.035 0.404 19955 14183 1 19 . 1 1 799 799 ARG H H 799 8.803 8.803 8.177 0.626 19955 14184 1 19 . 1 1 800 800 ALA N N 800 128.073 128.073 129.775 -1.702 19955 14185 1 19 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.755 -0.218 19955 14186 1 19 . 1 1 800 800 ALA C C 800 178.146 178.146 176.998 1.148 19955 14187 1 19 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.406 0.802 19955 14188 1 19 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.897 -1.243 19955 14189 1 19 . 1 1 800 800 ALA H H 800 9.037 9.037 8.870 0.167 19955 14190 1 19 . 1 1 801 801 LYS N N 801 127.334 127.334 125.123 2.211 19955 14191 1 19 . 1 1 801 801 LYS HA H 801 3.758 3.758 4.134 -0.376 19955 14192 1 19 . 1 1 801 801 LYS C C 801 174.213 174.213 176.052 -1.839 19955 14193 1 19 . 1 1 801 801 LYS CA C 801 57.344 57.344 57.811 -0.467 19955 14194 1 19 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.410 0.237 19955 14195 1 19 . 1 1 801 801 LYS H H 801 9.291 9.291 8.618 0.673 19955 14196 1 19 . 1 1 802 802 PHE N N 802 111.696 111.696 116.243 -4.547 19955 14197 1 19 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.694 0.047 19955 14198 1 19 . 1 1 802 802 PHE C C 802 173.408 173.408 174.139 -0.731 19955 14199 1 19 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.247 -2.878 19955 14200 1 19 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.323 0.919 19955 14201 1 19 . 1 1 802 802 PHE H H 802 7.069 7.069 7.526 -0.457 19955 14202 1 19 . 1 1 803 803 ASP N N 803 117.498 117.498 120.171 -2.673 19955 14203 1 19 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.872 -0.348 19955 14204 1 19 . 1 1 803 803 ASP C C 803 175.782 175.782 175.184 0.598 19955 14205 1 19 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.772 0.954 19955 14206 1 19 . 1 1 803 803 ASP CB C 803 41.154 41.154 40.856 0.298 19955 14207 1 19 . 1 1 803 803 ASP H H 803 8.339 8.339 8.673 -0.334 19955 14208 1 19 . 1 1 804 804 PHE N N 804 123.264 123.264 122.718 0.546 19955 14209 1 19 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.689 0.303 19955 14210 1 19 . 1 1 804 804 PHE C C 804 173.750 173.750 174.258 -0.508 19955 14211 1 19 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.540 -0.319 19955 14212 1 19 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.790 -0.658 19955 14213 1 19 . 1 1 804 804 PHE H H 804 9.223 9.223 9.141 0.082 19955 14214 1 19 . 1 1 805 805 LYS N N 805 129.548 129.548 128.625 0.923 19955 14215 1 19 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.288 -0.167 19955 14216 1 19 . 1 1 805 805 LYS C C 805 174.042 174.042 174.546 -0.504 19955 14217 1 19 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.672 -0.304 19955 14218 1 19 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.072 -1.291 19955 14219 1 19 . 1 1 805 805 LYS H H 805 8.125 8.125 8.057 0.068 19955 14220 1 19 . 1 1 806 806 ALA N N 806 127.231 127.231 127.744 -0.513 19955 14221 1 19 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.069 -0.187 19955 14222 1 19 . 1 1 806 806 ALA C C 806 178.066 178.066 177.385 0.681 19955 14223 1 19 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.515 -0.917 19955 14224 1 19 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.380 1.125 19955 14225 1 19 . 1 1 806 806 ALA H H 806 7.291 7.291 8.304 -1.013 19955 14226 1 19 . 1 1 807 807 GLN N N 807 121.482 121.482 121.028 0.454 19955 14227 1 19 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.176 0.150 19955 14228 1 19 . 1 1 807 807 GLN C C 807 175.927 175.927 175.268 0.659 19955 14229 1 19 . 1 1 807 807 GLN CA C 807 56.206 56.206 57.008 -0.802 19955 14230 1 19 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.525 1.417 19955 14231 1 19 . 1 1 807 807 GLN H H 807 9.375 9.375 8.874 0.501 19955 14232 1 19 . 1 1 808 808 THR N N 808 108.842 108.842 108.621 0.221 19955 14233 1 19 . 1 1 808 808 THR HA H 808 4.661 4.661 4.523 0.138 19955 14234 1 19 . 1 1 808 808 THR C C 808 175.262 175.262 175.083 0.179 19955 14235 1 19 . 1 1 808 808 THR CA C 808 59.313 59.313 59.608 -0.295 19955 14236 1 19 . 1 1 808 808 THR CB C 808 71.810 71.810 71.597 0.213 19955 14237 1 19 . 1 1 808 808 THR H H 808 7.472 7.472 7.404 0.068 19955 14238 1 19 . 1 1 809 809 LEU N N 809 119.518 119.518 117.868 1.650 19955 14239 1 19 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.070 0.130 19955 14240 1 19 . 1 1 809 809 LEU C C 809 177.895 177.895 177.038 0.857 19955 14241 1 19 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.394 -0.307 19955 14242 1 19 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.610 0.291 19955 14243 1 19 . 1 1 809 809 LEU H H 809 8.387 8.387 8.429 -0.042 19955 14244 1 19 . 1 1 810 810 LYS N N 810 115.587 115.587 116.238 -0.651 19955 14245 1 19 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.008 0.222 19955 14246 1 19 . 1 1 810 810 LYS C C 810 177.172 177.172 176.834 0.338 19955 14247 1 19 . 1 1 810 810 LYS CA C 810 56.807 56.807 58.258 -1.451 19955 14248 1 19 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.451 0.608 19955 14249 1 19 . 1 1 810 810 LYS H H 810 7.707 7.707 7.992 -0.285 19955 14250 1 19 . 1 1 811 811 GLU N N 811 119.522 119.522 117.995 1.527 19955 14251 1 19 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.289 0.410 19955 14252 1 19 . 1 1 811 811 GLU C C 811 174.240 174.240 175.462 -1.222 19955 14253 1 19 . 1 1 811 811 GLU CA C 811 55.419 55.419 55.563 -0.144 19955 14254 1 19 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.536 1.818 19955 14255 1 19 . 1 1 811 811 GLU H H 811 7.244 7.244 7.856 -0.612 19955 14256 1 19 . 1 1 812 812 LEU N N 812 126.910 126.910 124.017 2.893 19955 14257 1 19 . 1 1 812 812 LEU C C 812 172.269 172.269 175.369 -3.100 19955 14258 1 19 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.206 -0.695 19955 14259 1 19 . 1 1 812 812 LEU CB C 812 45.092 45.092 42.621 2.471 19955 14260 1 19 . 1 1 812 812 LEU H H 812 9.168 9.168 7.809 1.359 19955 14261 1 19 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.753 -0.316 19955 14262 1 19 . 1 1 813 813 PRO C C 813 176.755 176.755 175.465 1.290 19955 14263 1 19 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.415 0.131 19955 14264 1 19 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.591 -0.616 19955 14265 1 19 . 1 1 814 814 LEU N N 814 118.726 118.726 122.266 -3.540 19955 14266 1 19 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.740 -0.094 19955 14267 1 19 . 1 1 814 814 LEU C C 814 176.452 176.452 175.360 1.092 19955 14268 1 19 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.883 -0.492 19955 14269 1 19 . 1 1 814 814 LEU CB C 814 46.896 46.896 47.192 -0.296 19955 14270 1 19 . 1 1 814 814 LEU H H 814 8.532 8.532 8.732 -0.200 19955 14271 1 19 . 1 1 815 815 GLN N N 815 123.473 123.473 121.814 1.659 19955 14272 1 19 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.800 -0.049 19955 14273 1 19 . 1 1 815 815 GLN C C 815 174.820 174.820 174.669 0.151 19955 14274 1 19 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.891 -0.555 19955 14275 1 19 . 1 1 815 815 GLN CB C 815 31.094 31.094 32.478 -1.384 19955 14276 1 19 . 1 1 815 815 GLN H H 815 8.938 8.938 8.813 0.125 19955 14277 1 19 . 1 1 816 816 LYS N N 816 122.982 122.982 123.059 -0.077 19955 14278 1 19 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.809 -0.694 19955 14279 1 19 . 1 1 816 816 LYS C C 816 177.030 177.030 177.349 -0.319 19955 14280 1 19 . 1 1 816 816 LYS CA C 816 58.676 58.676 57.734 0.942 19955 14281 1 19 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.170 1.072 19955 14282 1 19 . 1 1 816 816 LYS H H 816 8.888 8.888 9.037 -0.149 19955 14283 1 19 . 1 1 817 817 GLY N N 817 115.370 115.370 113.856 1.514 19955 14284 1 19 . 1 1 817 817 GLY C C 817 174.271 174.271 174.675 -0.404 19955 14285 1 19 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.694 -0.033 19955 14286 1 19 . 1 1 817 817 GLY H H 817 8.870 8.870 9.170 -0.300 19955 14287 1 19 . 1 1 818 818 ASP N N 818 123.102 123.102 122.789 0.313 19955 14288 1 19 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.668 -0.339 19955 14289 1 19 . 1 1 818 818 ASP C C 818 175.076 175.076 176.038 -0.962 19955 14290 1 19 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.409 1.186 19955 14291 1 19 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.900 -0.362 19955 14292 1 19 . 1 1 818 818 ASP H H 818 8.468 8.468 8.285 0.183 19955 14293 1 19 . 1 1 819 819 ILE N N 819 121.053 121.053 124.660 -3.607 19955 14294 1 19 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.670 0.150 19955 14295 1 19 . 1 1 819 819 ILE C C 819 175.630 175.630 175.904 -0.274 19955 14296 1 19 . 1 1 819 819 ILE CA C 819 58.602 58.602 59.126 -0.524 19955 14297 1 19 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.511 -0.970 19955 14298 1 19 . 1 1 819 819 ILE H H 819 8.286 8.286 8.160 0.126 19955 14299 1 19 . 1 1 820 820 VAL N N 820 124.554 124.554 122.867 1.687 19955 14300 1 19 . 1 1 820 820 VAL HA H 820 4.679 4.679 5.013 -0.334 19955 14301 1 19 . 1 1 820 820 VAL C C 820 172.751 172.751 174.563 -1.812 19955 14302 1 19 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.552 -0.691 19955 14303 1 19 . 1 1 820 820 VAL CB C 820 34.372 34.372 33.889 0.483 19955 14304 1 19 . 1 1 820 820 VAL H H 820 8.717 8.717 8.838 -0.121 19955 14305 1 19 . 1 1 821 821 TYR N N 821 120.296 120.296 123.359 -3.063 19955 14306 1 19 . 1 1 821 821 TYR HA H 821 4.803 4.803 4.577 0.226 19955 14307 1 19 . 1 1 821 821 TYR C C 821 175.760 175.760 175.557 0.203 19955 14308 1 19 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.795 0.042 19955 14309 1 19 . 1 1 821 821 TYR CB C 821 40.132 40.132 38.577 1.555 19955 14310 1 19 . 1 1 821 821 TYR H H 821 8.360 8.360 8.511 -0.151 19955 14311 1 19 . 1 1 822 822 ILE N N 822 123.440 123.440 124.216 -0.776 19955 14312 1 19 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.157 -0.292 19955 14313 1 19 . 1 1 822 822 ILE C C 822 176.541 176.541 175.996 0.545 19955 14314 1 19 . 1 1 822 822 ILE CA C 822 62.327 62.327 62.398 -0.070 19955 14315 1 19 . 1 1 822 822 ILE CB C 822 39.429 39.429 37.788 1.641 19955 14316 1 19 . 1 1 822 822 ILE H H 822 8.991 8.991 8.042 0.949 19955 14317 1 19 . 1 1 823 823 TYR N N 823 127.197 127.197 128.492 -1.295 19955 14318 1 19 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.608 0.460 19955 14319 1 19 . 1 1 823 823 TYR C C 823 176.327 176.327 176.003 0.324 19955 14320 1 19 . 1 1 823 823 TYR CA C 823 56.331 56.331 59.322 -2.991 19955 14321 1 19 . 1 1 823 823 TYR CB C 823 38.285 38.285 39.963 -1.678 19955 14322 1 19 . 1 1 823 823 TYR H H 823 9.699 9.699 8.971 0.728 19955 14323 1 19 . 1 1 824 824 LYS N N 824 113.691 113.691 116.990 -3.299 19955 14324 1 19 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.711 -0.047 19955 14325 1 19 . 1 1 824 824 LYS C C 824 174.044 174.044 174.193 -0.149 19955 14326 1 19 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.277 0.024 19955 14327 1 19 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.576 0.528 19955 14328 1 19 . 1 1 824 824 LYS H H 824 7.904 7.904 7.701 0.203 19955 14329 1 19 . 1 1 825 825 GLN N N 825 122.998 122.998 121.632 1.366 19955 14330 1 19 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.545 0.069 19955 14331 1 19 . 1 1 825 825 GLN C C 825 175.372 175.372 175.595 -0.223 19955 14332 1 19 . 1 1 825 825 GLN CA C 825 55.970 55.970 55.242 0.728 19955 14333 1 19 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.292 -0.278 19955 14334 1 19 . 1 1 825 825 GLN H H 825 9.091 9.091 8.791 0.300 19955 14335 1 19 . 1 1 826 826 ILE N N 826 126.911 126.911 127.068 -0.157 19955 14336 1 19 . 1 1 826 826 ILE HA H 826 3.950 3.950 3.946 0.004 19955 14337 1 19 . 1 1 826 826 ILE C C 826 175.447 175.447 176.798 -1.351 19955 14338 1 19 . 1 1 826 826 ILE CA C 826 62.062 62.062 63.009 -0.947 19955 14339 1 19 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.023 0.156 19955 14340 1 19 . 1 1 826 826 ILE H H 826 8.356 8.356 8.852 -0.496 19955 14341 1 19 . 1 1 827 827 ASP N N 827 118.575 118.575 115.487 3.088 19955 14342 1 19 . 1 1 827 827 ASP HA H 827 4.419 4.419 5.020 -0.601 19955 14343 1 19 . 1 1 827 827 ASP C C 827 175.673 175.673 176.743 -1.070 19955 14344 1 19 . 1 1 827 827 ASP CA C 827 53.255 53.255 53.284 -0.029 19955 14345 1 19 . 1 1 827 827 ASP CB C 827 40.120 40.120 43.069 -2.949 19955 14346 1 19 . 1 1 827 827 ASP H H 827 7.952 7.952 8.226 -0.274 19955 14347 1 19 . 1 1 828 828 GLN N N 828 113.633 113.633 119.553 -5.920 19955 14348 1 19 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.139 -0.267 19955 14349 1 19 . 1 1 828 828 GLN C C 828 175.745 175.745 175.776 -0.031 19955 14350 1 19 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.738 -0.477 19955 14351 1 19 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.598 -0.100 19955 14352 1 19 . 1 1 828 828 GLN H H 828 8.468 8.468 8.612 -0.144 19955 14353 1 19 . 1 1 829 829 ASN N N 829 114.412 114.412 116.530 -2.118 19955 14354 1 19 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.869 -0.127 19955 14355 1 19 . 1 1 829 829 ASN C C 829 175.652 175.652 173.086 2.566 19955 14356 1 19 . 1 1 829 829 ASN CA C 829 53.641 53.641 52.441 1.200 19955 14357 1 19 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.932 1.883 19955 14358 1 19 . 1 1 829 829 ASN H H 829 8.799 8.799 8.501 0.298 19955 14359 1 19 . 1 1 830 830 TRP N N 830 121.661 121.661 119.623 2.038 19955 14360 1 19 . 1 1 830 830 TRP HA H 830 4.810 4.810 4.942 -0.132 19955 14361 1 19 . 1 1 830 830 TRP C C 830 175.077 175.077 174.943 0.134 19955 14362 1 19 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.590 0.700 19955 14363 1 19 . 1 1 830 830 TRP CB C 830 32.570 32.570 32.752 -0.182 19955 14364 1 19 . 1 1 830 830 TRP H H 830 8.033 8.033 7.633 0.400 19955 14365 1 19 . 1 1 831 831 TYR N N 831 120.163 120.163 117.490 2.673 19955 14366 1 19 . 1 1 831 831 TYR HA H 831 5.045 5.045 5.209 -0.164 19955 14367 1 19 . 1 1 831 831 TYR C C 831 173.672 173.672 172.832 0.840 19955 14368 1 19 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.107 0.265 19955 14369 1 19 . 1 1 831 831 TYR CB C 831 42.726 42.726 42.080 0.646 19955 14370 1 19 . 1 1 831 831 TYR H H 831 8.721 8.721 8.924 -0.203 19955 14371 1 19 . 1 1 832 832 GLU N N 832 117.935 117.935 120.692 -2.757 19955 14372 1 19 . 1 1 832 832 GLU HA H 832 4.937 4.937 5.183 -0.246 19955 14373 1 19 . 1 1 832 832 GLU C C 832 176.121 176.121 175.278 0.843 19955 14374 1 19 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.305 0.099 19955 14375 1 19 . 1 1 832 832 GLU CB C 832 33.955 33.955 34.095 -0.140 19955 14376 1 19 . 1 1 832 832 GLU H H 832 8.696 8.696 8.485 0.211 19955 14377 1 19 . 1 1 833 833 GLY N N 833 115.171 115.171 111.225 3.946 19955 14378 1 19 . 1 1 833 833 GLY C C 833 168.962 168.962 171.959 -2.997 19955 14379 1 19 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.532 1.091 19955 14380 1 19 . 1 1 833 833 GLY H H 833 9.063 9.063 8.468 0.595 19955 14381 1 19 . 1 1 834 834 GLU N N 834 117.849 117.849 121.507 -3.658 19955 14382 1 19 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.653 0.036 19955 14383 1 19 . 1 1 834 834 GLU C C 834 175.077 175.077 175.313 -0.236 19955 14384 1 19 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.368 -0.403 19955 14385 1 19 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.017 2.027 19955 14386 1 19 . 1 1 834 834 GLU H H 834 8.708 8.708 8.426 0.282 19955 14387 1 19 . 1 1 835 835 HIS N N 835 120.973 120.973 125.576 -4.603 19955 14388 1 19 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.195 -0.361 19955 14389 1 19 . 1 1 835 835 HIS C C 835 174.509 174.509 175.119 -0.610 19955 14390 1 19 . 1 1 835 835 HIS CA C 835 56.249 56.249 55.193 1.056 19955 14391 1 19 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.790 0.421 19955 14392 1 19 . 1 1 835 835 HIS H H 835 8.799 8.799 9.468 -0.669 19955 14393 1 19 . 1 1 836 836 HIS N N 836 125.728 125.728 126.583 -0.855 19955 14394 1 19 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.026 0.140 19955 14395 1 19 . 1 1 836 836 HIS C C 836 175.012 175.012 175.012 0.000 19955 14396 1 19 . 1 1 836 836 HIS CA C 836 55.689 55.689 57.304 -1.615 19955 14397 1 19 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.428 -0.434 19955 14398 1 19 . 1 1 836 836 HIS H H 836 9.163 9.163 9.432 -0.269 19955 14399 1 19 . 1 1 837 837 GLY N N 837 104.909 104.909 105.655 -0.746 19955 14400 1 19 . 1 1 837 837 GLY C C 837 173.235 173.235 173.606 -0.371 19955 14401 1 19 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.358 0.296 19955 14402 1 19 . 1 1 837 837 GLY H H 837 9.070 9.070 9.307 -0.237 19955 14403 1 19 . 1 1 838 838 ARG N N 838 122.925 122.925 120.279 2.646 19955 14404 1 19 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.863 -0.270 19955 14405 1 19 . 1 1 838 838 ARG C C 838 173.682 173.682 174.500 -0.818 19955 14406 1 19 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.424 0.457 19955 14407 1 19 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.450 -1.391 19955 14408 1 19 . 1 1 838 838 ARG H H 838 7.814 7.814 8.053 -0.239 19955 14409 1 19 . 1 1 839 839 VAL N N 839 123.572 123.572 123.600 -0.028 19955 14410 1 19 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.541 -0.407 19955 14411 1 19 . 1 1 839 839 VAL C C 839 177.296 177.296 174.974 2.322 19955 14412 1 19 . 1 1 839 839 VAL CA C 839 60.200 60.200 59.969 0.231 19955 14413 1 19 . 1 1 839 839 VAL CB C 839 33.994 33.994 35.133 -1.139 19955 14414 1 19 . 1 1 839 839 VAL H H 839 8.360 8.360 8.602 -0.242 19955 14415 1 19 . 1 1 840 840 GLY N N 840 114.006 114.006 114.850 -0.844 19955 14416 1 19 . 1 1 840 840 GLY C C 840 171.246 171.246 171.482 -0.236 19955 14417 1 19 . 1 1 840 840 GLY CA C 840 45.896 45.896 45.212 0.684 19955 14418 1 19 . 1 1 840 840 GLY H H 840 8.951 8.951 8.299 0.652 19955 14419 1 19 . 1 1 841 841 ILE N N 841 112.496 112.496 115.224 -2.728 19955 14420 1 19 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.704 1.177 19955 14421 1 19 . 1 1 841 841 ILE C C 841 176.120 176.120 172.967 3.153 19955 14422 1 19 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.229 1.138 19955 14423 1 19 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.220 -0.303 19955 14424 1 19 . 1 1 841 841 ILE H H 841 8.434 8.434 7.210 1.224 19955 14425 1 19 . 1 1 842 842 PHE N N 842 116.289 116.289 117.800 -1.511 19955 14426 1 19 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.522 0.449 19955 14427 1 19 . 1 1 842 842 PHE C C 842 171.777 171.777 172.633 -0.856 19955 14428 1 19 . 1 1 842 842 PHE CA C 842 54.265 54.265 54.547 -0.282 19955 14429 1 19 . 1 1 842 842 PHE CB C 842 37.515 37.515 40.790 -3.275 19955 14430 1 19 . 1 1 842 842 PHE H H 842 8.408 8.408 8.241 0.167 19955 14431 1 19 . 1 1 843 843 PRO HA H 843 3.934 3.934 4.149 -0.215 19955 14432 1 19 . 1 1 843 843 PRO C C 843 178.228 178.228 177.853 0.375 19955 14433 1 19 . 1 1 843 843 PRO CA C 843 61.613 61.613 61.971 -0.358 19955 14434 1 19 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.549 -0.154 19955 14435 1 19 . 1 1 844 844 ARG N N 844 122.291 122.291 125.703 -3.412 19955 14436 1 19 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.086 -0.142 19955 14437 1 19 . 1 1 844 844 ARG C C 844 178.171 178.171 178.264 -0.093 19955 14438 1 19 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.671 -1.053 19955 14439 1 19 . 1 1 844 844 ARG CB C 844 30.297 30.297 30.171 0.126 19955 14440 1 19 . 1 1 844 844 ARG H H 844 7.906 7.906 8.275 -0.369 19955 14441 1 19 . 1 1 845 845 THR N N 845 105.068 105.068 111.528 -6.460 19955 14442 1 19 . 1 1 845 845 THR HA H 845 4.159 4.159 4.197 -0.038 19955 14443 1 19 . 1 1 845 845 THR C C 845 175.363 175.363 175.437 -0.074 19955 14444 1 19 . 1 1 845 845 THR CA C 845 63.035 63.035 65.090 -2.055 19955 14445 1 19 . 1 1 845 845 THR CB C 845 69.022 69.022 68.356 0.666 19955 14446 1 19 . 1 1 845 845 THR H H 845 7.907 7.907 8.115 -0.208 19955 14447 1 19 . 1 1 846 846 TYR N N 846 118.977 118.977 120.811 -1.834 19955 14448 1 19 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.730 -0.195 19955 14449 1 19 . 1 1 846 846 TYR C C 846 174.917 174.917 174.415 0.502 19955 14450 1 19 . 1 1 846 846 TYR CA C 846 58.751 58.751 58.813 -0.062 19955 14451 1 19 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.180 -1.125 19955 14452 1 19 . 1 1 846 846 TYR H H 846 7.611 7.611 7.980 -0.369 19955 14453 1 19 . 1 1 847 847 ILE N N 847 113.230 113.230 113.442 -0.212 19955 14454 1 19 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.095 0.004 19955 14455 1 19 . 1 1 847 847 ILE C C 847 174.141 174.141 174.136 0.005 19955 14456 1 19 . 1 1 847 847 ILE CA C 847 57.454 57.454 57.951 -0.497 19955 14457 1 19 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.521 -0.330 19955 14458 1 19 . 1 1 847 847 ILE H H 847 7.390 7.390 7.535 -0.145 19955 14459 1 19 . 1 1 848 848 GLU N N 848 121.909 121.909 121.092 0.817 19955 14460 1 19 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.589 -0.041 19955 14461 1 19 . 1 1 848 848 GLU C C 848 175.193 175.193 174.930 0.263 19955 14462 1 19 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.129 -0.465 19955 14463 1 19 . 1 1 848 848 GLU CB C 848 32.624 32.624 33.116 -0.492 19955 14464 1 19 . 1 1 848 848 GLU H H 848 8.786 8.786 8.342 0.444 19955 14465 1 19 . 1 1 849 849 LEU N N 849 126.431 126.431 128.597 -2.166 19955 14466 1 19 . 1 1 849 849 LEU HA H 849 4.091 4.091 3.973 0.118 19955 14467 1 19 . 1 1 849 849 LEU C C 849 177.019 177.019 176.497 0.522 19955 14468 1 19 . 1 1 849 849 LEU CA C 849 55.667 55.667 55.332 0.335 19955 14469 1 19 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.202 -0.660 19955 14470 1 19 . 1 1 849 849 LEU H H 849 8.730 8.730 8.721 0.009 19955 14471 1 19 . 1 1 850 850 LEU N N 850 123.942 123.942 125.292 -1.350 19955 14472 1 19 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.046 0.516 19955 14473 1 19 . 1 1 850 850 LEU C C 850 174.453 174.453 174.232 0.221 19955 14474 1 19 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.442 -1.637 19955 14475 1 19 . 1 1 850 850 LEU CB C 850 40.963 40.963 39.999 0.964 19955 14476 1 19 . 1 1 850 850 LEU H H 850 7.846 7.846 8.459 -0.613 19955 14477 1 19 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.274 0.055 19955 14478 1 19 . 1 1 852 852 PRO C C 852 176.580 176.580 176.594 -0.014 19955 14479 1 19 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.632 -0.729 19955 14480 1 19 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.120 -0.355 19955 14481 1 19 . 1 1 853 853 ALA N N 853 124.102 124.102 128.097 -3.995 19955 14482 1 19 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.415 -0.175 19955 14483 1 19 . 1 1 853 853 ALA C C 853 177.767 177.767 177.593 0.174 19955 14484 1 19 . 1 1 853 853 ALA CA C 853 52.258 52.258 51.519 0.739 19955 14485 1 19 . 1 1 853 853 ALA CB C 853 19.516 19.516 18.264 1.252 19955 14486 1 19 . 1 1 853 853 ALA H H 853 8.354 8.354 8.476 -0.122 19955 14487 1 19 . 1 1 854 854 GLU N N 854 120.540 120.540 119.417 1.123 19955 14488 1 19 . 1 1 854 854 GLU HA H 854 4.203 4.203 3.997 0.206 19955 14489 1 19 . 1 1 854 854 GLU C C 854 176.402 176.402 177.958 -1.556 19955 14490 1 19 . 1 1 854 854 GLU CA C 854 56.380 56.380 58.576 -2.196 19955 14491 1 19 . 1 1 854 854 GLU CB C 854 30.432 30.432 29.368 1.064 19955 14492 1 19 . 1 1 854 854 GLU H H 854 8.348 8.348 8.384 -0.036 19955 14493 1 19 . 1 1 855 855 LYS N N 855 122.717 122.717 118.945 3.772 19955 14494 1 19 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.169 0.046 19955 14495 1 19 . 1 1 855 855 LYS C C 855 176.078 176.078 176.483 -0.405 19955 14496 1 19 . 1 1 855 855 LYS CA C 855 56.018 56.018 56.761 -0.743 19955 14497 1 19 . 1 1 855 855 LYS CB C 855 33.187 33.187 32.607 0.580 19955 14498 1 19 . 1 1 855 855 LYS H H 855 8.305 8.305 8.173 0.132 19955 14499 1 19 . 1 1 856 856 ALA N N 856 125.584 125.584 120.846 4.738 19955 14500 1 19 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.007 0.234 19955 14501 1 19 . 1 1 856 856 ALA C C 856 177.276 177.276 176.545 0.731 19955 14502 1 19 . 1 1 856 856 ALA CA C 856 52.046 52.046 52.692 -0.646 19955 14503 1 19 . 1 1 856 856 ALA CB C 856 19.294 19.294 18.228 1.066 19955 14504 1 19 . 1 1 856 856 ALA H H 856 8.219 8.219 7.512 0.707 19955 14505 1 19 . 1 1 857 857 GLN N N 857 121.223 121.223 117.165 4.058 19955 14506 1 19 . 1 1 857 857 GLN C C 857 173.964 173.964 173.819 0.145 19955 14507 1 19 . 1 1 857 857 GLN CA C 857 53.490 53.490 55.707 -2.217 19955 14508 1 19 . 1 1 857 857 GLN CB C 857 29.040 29.040 27.017 2.023 19955 14509 1 19 . 1 1 857 857 GLN H H 857 8.333 8.333 8.402 -0.069 19955 14510 1 19 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.437 -0.099 19955 14511 1 19 . 1 1 858 858 PRO C C 858 176.696 176.696 176.559 0.137 19955 14512 1 19 . 1 1 858 858 PRO CA C 858 62.910 62.910 62.794 0.116 19955 14513 1 19 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.219 -0.145 19955 14514 1 19 . 1 1 859 859 LYS N N 859 121.891 121.891 122.806 -0.915 19955 14515 1 19 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.411 -0.221 19955 14516 1 19 . 1 1 859 859 LYS C C 859 176.382 176.382 176.965 -0.583 19955 14517 1 19 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.094 0.036 19955 14518 1 19 . 1 1 859 859 LYS CB C 859 33.070 33.070 32.672 0.398 19955 14519 1 19 . 1 1 859 859 LYS H H 859 8.355 8.355 8.370 -0.015 19955 14520 1 19 . 1 1 860 860 LYS N N 860 123.002 123.002 122.155 0.847 19955 14521 1 19 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.366 -0.121 19955 14522 1 19 . 1 1 860 860 LYS C C 860 176.131 176.131 176.867 -0.736 19955 14523 1 19 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.201 -0.349 19955 14524 1 19 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.731 0.417 19955 14525 1 19 . 1 1 860 860 LYS H H 860 8.267 8.267 8.523 -0.256 19955 14526 1 19 . 1 1 861 861 LEU N N 861 124.576 124.576 122.496 2.080 19955 14527 1 19 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.346 0.010 19955 14528 1 19 . 1 1 861 861 LEU C C 861 177.069 177.069 176.953 0.116 19955 14529 1 19 . 1 1 861 861 LEU CA C 861 54.795 54.795 55.154 -0.359 19955 14530 1 19 . 1 1 861 861 LEU CB C 861 42.350 42.350 42.264 0.086 19955 14531 1 19 . 1 1 861 861 LEU H H 861 8.316 8.316 7.490 0.826 19955 14532 1 19 . 1 1 862 862 THR N N 862 117.878 117.878 115.088 2.790 19955 14533 1 19 . 1 1 862 862 THR HA H 862 4.729 4.729 4.736 -0.007 19955 14534 1 19 . 1 1 862 862 THR C C 862 172.639 172.639 174.377 -1.738 19955 14535 1 19 . 1 1 862 862 THR CA C 862 59.644 59.644 58.549 1.095 19955 14536 1 19 . 1 1 862 862 THR CB C 862 69.476 69.476 70.239 -0.763 19955 14537 1 19 . 1 1 862 862 THR H H 862 8.162 8.162 8.087 0.075 19955 14538 1 19 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.404 -0.036 19955 14539 1 19 . 1 1 863 863 PRO C C 863 176.753 176.753 178.380 -1.627 19955 14540 1 19 . 1 1 863 863 PRO CA C 863 63.192 63.192 63.783 -0.591 19955 14541 1 19 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.123 -0.065 19955 14542 1 19 . 1 1 864 864 VAL N N 864 120.359 120.359 114.690 5.669 19955 14543 1 19 . 1 1 864 864 VAL HA H 864 3.985 3.985 3.639 0.346 19955 14544 1 19 . 1 1 864 864 VAL C C 864 175.964 175.964 175.947 0.017 19955 14545 1 19 . 1 1 864 864 VAL CA C 864 62.342 62.342 63.862 -1.520 19955 14546 1 19 . 1 1 864 864 VAL CB C 864 32.521 32.521 30.249 2.272 19955 14547 1 19 . 1 1 864 864 VAL H H 864 8.102 8.102 8.497 -0.395 19955 14548 1 19 . 1 1 865 865 GLN N N 865 124.642 124.642 120.330 4.312 19955 14549 1 19 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.248 0.038 19955 14550 1 19 . 1 1 865 865 GLN C C 865 175.443 175.443 175.521 -0.078 19955 14551 1 19 . 1 1 865 865 GLN CA C 865 55.595 55.595 56.018 -0.423 19955 14552 1 19 . 1 1 865 865 GLN CB C 865 29.739 29.739 29.319 0.420 19955 14553 1 19 . 1 1 865 865 GLN H H 865 8.333 8.333 7.918 0.415 19955 14554 1 19 . 1 1 866 866 VAL N N 866 123.436 123.436 118.025 5.411 19955 14555 1 19 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.410 -0.441 19955 14556 1 19 . 1 1 866 866 VAL C C 866 175.685 175.685 175.022 0.663 19955 14557 1 19 . 1 1 866 866 VAL CA C 866 62.398 62.398 61.260 1.138 19955 14558 1 19 . 1 1 866 866 VAL CB C 866 32.832 32.832 33.901 -1.069 19955 14559 1 19 . 1 1 866 866 VAL H H 866 8.189 8.189 8.349 -0.160 19955 14560 1 19 . 1 1 867 867 LEU N N 867 127.515 127.515 122.990 4.525 19955 14561 1 19 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.552 -0.290 19955 14562 1 19 . 1 1 867 867 LEU C C 867 177.037 177.037 177.491 -0.454 19955 14563 1 19 . 1 1 867 867 LEU CA C 867 55.688 55.688 54.803 0.885 19955 14564 1 19 . 1 1 867 867 LEU CB C 867 42.552 42.552 42.280 0.272 19955 14565 1 19 . 1 1 867 867 LEU H H 867 8.679 8.679 8.398 0.281 19955 14566 1 19 . 1 1 868 868 GLU N N 868 120.794 120.794 116.779 4.015 19955 14567 1 19 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.020 0.199 19955 14568 1 19 . 1 1 868 868 GLU C C 868 175.353 175.353 175.732 -0.379 19955 14569 1 19 . 1 1 868 868 GLU CA C 868 55.753 55.753 57.414 -1.661 19955 14570 1 19 . 1 1 868 868 GLU CB C 868 31.419 31.419 30.022 1.397 19955 14571 1 19 . 1 1 868 868 GLU H H 868 8.272 8.272 8.347 -0.075 19955 14572 1 19 . 1 1 869 869 TYR N N 869 121.165 121.165 116.813 4.352 19955 14573 1 19 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.671 0.029 19955 14574 1 19 . 1 1 869 869 TYR C C 869 176.824 176.824 175.932 0.892 19955 14575 1 19 . 1 1 869 869 TYR CA C 869 56.809 56.809 57.230 -0.421 19955 14576 1 19 . 1 1 869 869 TYR CB C 869 38.650 38.650 40.826 -2.176 19955 14577 1 19 . 1 1 869 869 TYR H H 869 8.003 8.003 7.575 0.428 19955 14578 1 19 . 1 1 870 870 GLY N N 870 104.958 104.958 108.422 -3.464 19955 14579 1 19 . 1 1 870 870 GLY C C 870 173.846 173.846 173.446 0.400 19955 14580 1 19 . 1 1 870 870 GLY CA C 870 44.219 44.219 43.882 0.337 19955 14581 1 19 . 1 1 870 870 GLY H H 870 8.590 8.590 8.377 0.213 19955 14582 1 19 . 1 1 871 871 GLU N N 871 122.341 122.341 118.319 4.022 19955 14583 1 19 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.454 -0.232 19955 14584 1 19 . 1 1 871 871 GLU C C 871 173.827 173.827 174.508 -0.681 19955 14585 1 19 . 1 1 871 871 GLU CA C 871 55.859 55.859 55.190 0.669 19955 14586 1 19 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.597 0.337 19955 14587 1 19 . 1 1 871 871 GLU H H 871 9.246 9.246 7.955 1.291 19955 14588 1 19 . 1 1 872 872 ALA N N 872 126.709 126.709 124.453 2.256 19955 14589 1 19 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.373 -0.269 19955 14590 1 19 . 1 1 872 872 ALA C C 872 174.022 174.022 174.738 -0.716 19955 14591 1 19 . 1 1 872 872 ALA CA C 872 50.135 50.135 50.797 -0.662 19955 14592 1 19 . 1 1 872 872 ALA CB C 872 24.498 24.498 23.075 1.423 19955 14593 1 19 . 1 1 872 872 ALA H H 872 9.266 9.266 9.174 0.092 19955 14594 1 19 . 1 1 873 873 ILE N N 873 118.554 118.554 120.170 -1.616 19955 14595 1 19 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.938 -0.324 19955 14596 1 19 . 1 1 873 873 ILE C C 873 176.132 176.132 175.089 1.043 19955 14597 1 19 . 1 1 873 873 ILE CA C 873 58.788 58.788 59.185 -0.397 19955 14598 1 19 . 1 1 873 873 ILE CB C 873 40.630 40.630 42.702 -2.072 19955 14599 1 19 . 1 1 873 873 ILE H H 873 8.522 8.522 8.854 -0.332 19955 14600 1 19 . 1 1 874 874 ALA N N 874 129.739 129.739 130.260 -0.521 19955 14601 1 19 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.241 -0.204 19955 14602 1 19 . 1 1 874 874 ALA C C 874 178.259 178.259 176.436 1.823 19955 14603 1 19 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.962 0.375 19955 14604 1 19 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.404 1.874 19955 14605 1 19 . 1 1 874 874 ALA H H 874 8.608 8.608 8.166 0.442 19955 14606 1 19 . 1 1 875 875 LYS N N 875 127.308 127.308 122.861 4.447 19955 14607 1 19 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.913 0.111 19955 14608 1 19 . 1 1 875 875 LYS C C 875 174.098 174.098 175.800 -1.702 19955 14609 1 19 . 1 1 875 875 LYS CA C 875 57.099 57.099 57.894 -0.795 19955 14610 1 19 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.978 1.006 19955 14611 1 19 . 1 1 875 875 LYS H H 875 9.298 9.298 8.490 0.808 19955 14612 1 19 . 1 1 876 876 PHE N N 876 113.423 113.423 116.410 -2.987 19955 14613 1 19 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.532 0.379 19955 14614 1 19 . 1 1 876 876 PHE C C 876 174.050 174.050 174.788 -0.738 19955 14615 1 19 . 1 1 876 876 PHE CA C 876 53.845 53.845 55.816 -1.970 19955 14616 1 19 . 1 1 876 876 PHE CB C 876 43.742 43.742 42.013 1.729 19955 14617 1 19 . 1 1 876 876 PHE H H 876 7.328 7.328 7.363 -0.035 19955 14618 1 19 . 1 1 877 877 ASN N N 877 116.437 116.437 121.129 -4.692 19955 14619 1 19 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.570 0.219 19955 14620 1 19 . 1 1 877 877 ASN C C 877 174.454 174.454 174.207 0.247 19955 14621 1 19 . 1 1 877 877 ASN CA C 877 53.535 53.535 53.577 -0.042 19955 14622 1 19 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.010 0.197 19955 14623 1 19 . 1 1 877 877 ASN H H 877 8.666 8.666 8.702 -0.036 19955 14624 1 19 . 1 1 878 878 PHE N N 878 123.179 123.179 126.657 -3.478 19955 14625 1 19 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.656 0.009 19955 14626 1 19 . 1 1 878 878 PHE C C 878 173.027 173.027 172.973 0.054 19955 14627 1 19 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.680 -0.576 19955 14628 1 19 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.168 -0.082 19955 14629 1 19 . 1 1 878 878 PHE H H 878 8.433 8.433 8.537 -0.104 19955 14630 1 19 . 1 1 879 879 ASN N N 879 127.113 127.113 125.183 1.930 19955 14631 1 19 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.571 -0.009 19955 14632 1 19 . 1 1 879 879 ASN C C 879 173.174 173.174 174.557 -1.383 19955 14633 1 19 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.265 -0.335 19955 14634 1 19 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.279 0.108 19955 14635 1 19 . 1 1 879 879 ASN H H 879 8.000 8.000 8.082 -0.082 19955 14636 1 19 . 1 1 880 880 GLY N N 880 110.949 110.949 110.827 0.122 19955 14637 1 19 . 1 1 880 880 GLY C C 880 173.383 173.383 174.258 -0.875 19955 14638 1 19 . 1 1 880 880 GLY CA C 880 45.658 45.658 45.055 0.603 19955 14639 1 19 . 1 1 880 880 GLY H H 880 7.997 7.997 7.560 0.437 19955 14640 1 19 . 1 1 881 881 ASP N N 881 122.408 122.408 123.230 -0.822 19955 14641 1 19 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.843 -0.210 19955 14642 1 19 . 1 1 881 881 ASP C C 881 176.286 176.286 176.188 0.098 19955 14643 1 19 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.545 0.651 19955 14644 1 19 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.641 1.499 19955 14645 1 19 . 1 1 881 881 ASP H H 881 8.796 8.796 8.295 0.501 19955 14646 1 19 . 1 1 882 882 THR N N 882 108.354 108.354 110.995 -2.641 19955 14647 1 19 . 1 1 882 882 THR HA H 882 4.583 4.583 4.708 -0.125 19955 14648 1 19 . 1 1 882 882 THR C C 882 175.948 175.948 174.168 1.780 19955 14649 1 19 . 1 1 882 882 THR CA C 882 60.352 60.352 60.004 0.348 19955 14650 1 19 . 1 1 882 882 THR CB C 882 71.649 71.649 71.417 0.232 19955 14651 1 19 . 1 1 882 882 THR H H 882 7.541 7.541 7.328 0.213 19955 14652 1 19 . 1 1 883 883 GLN N N 883 118.622 118.622 119.049 -0.427 19955 14653 1 19 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.154 -0.002 19955 14654 1 19 . 1 1 883 883 GLN C C 883 176.478 176.478 177.031 -0.553 19955 14655 1 19 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.317 -0.121 19955 14656 1 19 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.869 -0.200 19955 14657 1 19 . 1 1 883 883 GLN H H 883 8.710 8.710 8.574 0.136 19955 14658 1 19 . 1 1 884 884 VAL N N 884 111.473 111.473 110.978 0.495 19955 14659 1 19 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.962 0.245 19955 14660 1 19 . 1 1 884 884 VAL C C 884 176.430 176.430 175.930 0.500 19955 14661 1 19 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.481 -1.188 19955 14662 1 19 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.216 0.708 19955 14663 1 19 . 1 1 884 884 VAL H H 884 7.260 7.260 7.843 -0.583 19955 14664 1 19 . 1 1 885 885 GLU N N 885 121.794 121.794 119.381 2.413 19955 14665 1 19 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.726 0.182 19955 14666 1 19 . 1 1 885 885 GLU C C 885 175.369 175.369 175.558 -0.189 19955 14667 1 19 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.780 -0.470 19955 14668 1 19 . 1 1 885 885 GLU CB C 885 31.789 31.789 31.139 0.650 19955 14669 1 19 . 1 1 885 885 GLU H H 885 7.455 7.455 7.431 0.024 19955 14670 1 19 . 1 1 886 886 MET N N 886 125.473 125.473 121.235 4.238 19955 14671 1 19 . 1 1 886 886 MET HA H 886 4.534 4.534 4.791 -0.257 19955 14672 1 19 . 1 1 886 886 MET C C 886 172.841 172.841 175.510 -2.669 19955 14673 1 19 . 1 1 886 886 MET CA C 886 54.129 54.129 54.351 -0.222 19955 14674 1 19 . 1 1 886 886 MET CB C 886 35.157 35.157 35.525 -0.368 19955 14675 1 19 . 1 1 886 886 MET H H 886 8.996 8.996 8.727 0.269 19955 14676 1 19 . 1 1 887 887 SER N N 887 118.425 118.425 116.600 1.825 19955 14677 1 19 . 1 1 887 887 SER HA H 887 4.402 4.402 4.847 -0.445 19955 14678 1 19 . 1 1 887 887 SER C C 887 174.667 174.667 173.368 1.299 19955 14679 1 19 . 1 1 887 887 SER CA C 887 58.612 58.612 56.564 2.048 19955 14680 1 19 . 1 1 887 887 SER CB C 887 64.186 64.186 64.488 -0.302 19955 14681 1 19 . 1 1 887 887 SER H H 887 7.888 7.888 8.318 -0.430 19955 14682 1 19 . 1 1 888 888 PHE N N 888 116.363 116.363 121.549 -5.186 19955 14683 1 19 . 1 1 888 888 PHE HA H 888 4.514 4.514 5.000 -0.486 19955 14684 1 19 . 1 1 888 888 PHE C C 888 174.756 174.756 173.516 1.240 19955 14685 1 19 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.110 0.426 19955 14686 1 19 . 1 1 888 888 PHE CB C 888 39.802 39.802 41.151 -1.349 19955 14687 1 19 . 1 1 888 888 PHE H H 888 8.780 8.780 8.570 0.210 19955 14688 1 19 . 1 1 889 889 ARG N N 889 121.944 121.944 121.090 0.854 19955 14689 1 19 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.431 0.541 19955 14690 1 19 . 1 1 889 889 ARG C C 889 175.318 175.318 177.502 -2.184 19955 14691 1 19 . 1 1 889 889 ARG CA C 889 53.298 53.298 55.836 -2.538 19955 14692 1 19 . 1 1 889 889 ARG CB C 889 32.886 32.886 31.806 1.080 19955 14693 1 19 . 1 1 889 889 ARG H H 889 10.187 10.187 8.681 1.506 19955 14694 1 19 . 1 1 890 890 LYS N N 890 119.991 119.991 121.573 -1.582 19955 14695 1 19 . 1 1 890 890 LYS HA H 890 3.248 3.248 4.198 -0.950 19955 14696 1 19 . 1 1 890 890 LYS C C 890 176.504 176.504 175.556 0.948 19955 14697 1 19 . 1 1 890 890 LYS CA C 890 58.396 58.396 57.291 1.105 19955 14698 1 19 . 1 1 890 890 LYS CB C 890 32.829 32.829 30.666 2.163 19955 14699 1 19 . 1 1 890 890 LYS H H 890 8.360 8.360 8.823 -0.463 19955 14700 1 19 . 1 1 891 891 GLY N N 891 113.950 113.950 107.380 6.570 19955 14701 1 19 . 1 1 891 891 GLY C C 891 174.298 174.298 174.204 0.094 19955 14702 1 19 . 1 1 891 891 GLY CA C 891 44.668 44.668 45.059 -0.391 19955 14703 1 19 . 1 1 891 891 GLY H H 891 8.673 8.673 8.191 0.482 19955 14704 1 19 . 1 1 892 892 GLU N N 892 119.511 119.511 121.631 -2.120 19955 14705 1 19 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.352 -0.236 19955 14706 1 19 . 1 1 892 892 GLU C C 892 174.618 174.618 176.239 -1.621 19955 14707 1 19 . 1 1 892 892 GLU CA C 892 59.515 59.515 56.161 3.354 19955 14708 1 19 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.696 -0.115 19955 14709 1 19 . 1 1 892 892 GLU H H 892 7.856 7.856 7.810 0.046 19955 14710 1 19 . 1 1 893 893 ARG N N 893 122.979 122.979 121.807 1.172 19955 14711 1 19 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.552 0.045 19955 14712 1 19 . 1 1 893 893 ARG C C 893 174.836 174.836 175.956 -1.120 19955 14713 1 19 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.641 -1.113 19955 14714 1 19 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.207 -0.167 19955 14715 1 19 . 1 1 893 893 ARG H H 893 8.120 8.120 8.588 -0.468 19955 14716 1 19 . 1 1 894 894 ILE N N 894 122.659 122.659 123.270 -0.611 19955 14717 1 19 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.627 -0.564 19955 14718 1 19 . 1 1 894 894 ILE C C 894 175.789 175.789 175.141 0.648 19955 14719 1 19 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.125 0.141 19955 14720 1 19 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.223 1.204 19955 14721 1 19 . 1 1 894 894 ILE H H 894 8.586 8.586 9.100 -0.514 19955 14722 1 19 . 1 1 895 895 THR N N 895 124.709 124.709 123.283 1.426 19955 14723 1 19 . 1 1 895 895 THR HA H 895 4.441 4.441 4.908 -0.467 19955 14724 1 19 . 1 1 895 895 THR C C 895 174.124 174.124 173.832 0.292 19955 14725 1 19 . 1 1 895 895 THR CA C 895 62.837 62.837 61.556 1.281 19955 14726 1 19 . 1 1 895 895 THR CB C 895 69.246 69.246 69.768 -0.522 19955 14727 1 19 . 1 1 895 895 THR H H 895 9.078 9.078 9.025 0.053 19955 14728 1 19 . 1 1 896 896 LEU N N 896 122.648 122.648 127.795 -5.147 19955 14729 1 19 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.345 0.044 19955 14730 1 19 . 1 1 896 896 LEU C C 896 174.836 174.836 176.867 -2.031 19955 14731 1 19 . 1 1 896 896 LEU H H 896 8.583 8.583 8.322 0.261 19955 14732 1 19 . 1 1 897 897 LEU N N 897 124.502 124.502 126.245 -1.743 19955 14733 1 19 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.690 -0.358 19955 14734 1 19 . 1 1 897 897 LEU C C 897 176.645 176.645 177.252 -0.607 19955 14735 1 19 . 1 1 897 897 LEU CA C 897 56.226 56.226 56.122 0.104 19955 14736 1 19 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.048 -0.717 19955 14737 1 19 . 1 1 897 897 LEU H H 897 8.984 8.984 8.592 0.392 19955 14738 1 19 . 1 1 898 898 ARG N N 898 108.422 108.422 115.372 -6.950 19955 14739 1 19 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.653 -0.211 19955 14740 1 19 . 1 1 898 898 ARG C C 898 173.645 173.645 173.854 -0.209 19955 14741 1 19 . 1 1 898 898 ARG CA C 898 55.241 55.241 54.999 0.242 19955 14742 1 19 . 1 1 898 898 ARG CB C 898 31.609 31.609 31.936 -0.327 19955 14743 1 19 . 1 1 898 898 ARG H H 898 7.413 7.413 7.625 -0.212 19955 14744 1 19 . 1 1 899 899 GLN N N 899 124.503 124.503 120.326 4.177 19955 14745 1 19 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.621 -0.429 19955 14746 1 19 . 1 1 899 899 GLN C C 899 175.142 175.142 175.545 -0.403 19955 14747 1 19 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.119 1.177 19955 14748 1 19 . 1 1 899 899 GLN CB C 899 28.489 28.489 30.327 -1.838 19955 14749 1 19 . 1 1 899 899 GLN H H 899 9.301 9.301 8.660 0.641 19955 14750 1 19 . 1 1 900 900 VAL N N 900 129.109 129.109 127.198 1.911 19955 14751 1 19 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.886 -0.220 19955 14752 1 19 . 1 1 900 900 VAL C C 900 175.298 175.298 176.517 -1.219 19955 14753 1 19 . 1 1 900 900 VAL CA C 900 64.773 64.773 64.969 -0.196 19955 14754 1 19 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.327 0.494 19955 14755 1 19 . 1 1 900 900 VAL H H 900 8.475 8.475 8.605 -0.130 19955 14756 1 19 . 1 1 901 901 ASP N N 901 118.573 118.573 117.626 0.947 19955 14757 1 19 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.832 -0.436 19955 14758 1 19 . 1 1 901 901 ASP C C 901 175.386 175.386 175.841 -0.455 19955 14759 1 19 . 1 1 901 901 ASP CA C 901 53.300 53.300 54.253 -0.953 19955 14760 1 19 . 1 1 901 901 ASP CB C 901 40.163 40.163 41.564 -1.401 19955 14761 1 19 . 1 1 901 901 ASP H H 901 8.038 8.038 7.735 0.303 19955 14762 1 19 . 1 1 902 902 GLU N N 902 114.492 114.492 118.294 -3.802 19955 14763 1 19 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.412 -0.580 19955 14764 1 19 . 1 1 902 902 GLU C C 902 175.973 175.973 175.896 0.077 19955 14765 1 19 . 1 1 902 902 GLU CA C 902 59.095 59.095 57.354 1.741 19955 14766 1 19 . 1 1 902 902 GLU CB C 902 29.507 29.507 30.887 -1.380 19955 14767 1 19 . 1 1 902 902 GLU H H 902 8.784 8.784 8.477 0.307 19955 14768 1 19 . 1 1 903 903 ASN N N 903 113.835 113.835 115.982 -2.147 19955 14769 1 19 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.830 0.034 19955 14770 1 19 . 1 1 903 903 ASN C C 903 175.238 175.238 172.693 2.545 19955 14771 1 19 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.602 1.198 19955 14772 1 19 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.194 3.016 19955 14773 1 19 . 1 1 903 903 ASN H H 903 8.763 8.763 8.343 0.420 19955 14774 1 19 . 1 1 904 904 TRP N N 904 121.517 121.517 118.548 2.969 19955 14775 1 19 . 1 1 904 904 TRP HA H 904 4.950 4.950 4.879 0.071 19955 14776 1 19 . 1 1 904 904 TRP C C 904 175.223 175.223 174.823 0.400 19955 14777 1 19 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.445 0.734 19955 14778 1 19 . 1 1 904 904 TRP CB C 904 31.286 31.286 32.759 -1.473 19955 14779 1 19 . 1 1 904 904 TRP H H 904 8.141 8.141 7.684 0.457 19955 14780 1 19 . 1 1 905 905 TYR N N 905 121.365 121.365 116.896 4.469 19955 14781 1 19 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.054 -0.138 19955 14782 1 19 . 1 1 905 905 TYR C C 905 173.702 173.702 172.524 1.178 19955 14783 1 19 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.492 -0.032 19955 14784 1 19 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.305 2.096 19955 14785 1 19 . 1 1 905 905 TYR H H 905 8.550 8.550 8.435 0.115 19955 14786 1 19 . 1 1 906 906 GLU N N 906 117.356 117.356 121.276 -3.920 19955 14787 1 19 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.517 0.368 19955 14788 1 19 . 1 1 906 906 GLU C C 906 176.159 176.159 175.104 1.055 19955 14789 1 19 . 1 1 906 906 GLU CA C 906 54.795 54.795 53.988 0.807 19955 14790 1 19 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.243 -0.653 19955 14791 1 19 . 1 1 906 906 GLU H H 906 8.707 8.707 8.349 0.358 19955 14792 1 19 . 1 1 907 907 GLY N N 907 114.506 114.506 111.606 2.900 19955 14793 1 19 . 1 1 907 907 GLY C C 907 169.408 169.408 171.849 -2.441 19955 14794 1 19 . 1 1 907 907 GLY CA C 907 45.734 45.734 44.820 0.914 19955 14795 1 19 . 1 1 907 907 GLY H H 907 9.334 9.334 8.196 1.138 19955 14796 1 19 . 1 1 908 908 ARG N N 908 114.660 114.660 116.613 -1.953 19955 14797 1 19 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.311 0.066 19955 14798 1 19 . 1 1 908 908 ARG C C 908 173.981 173.981 174.375 -0.394 19955 14799 1 19 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.564 -0.287 19955 14800 1 19 . 1 1 908 908 ARG CB C 908 34.589 34.589 33.800 0.789 19955 14801 1 19 . 1 1 908 908 ARG H H 908 8.694 8.694 8.177 0.517 19955 14802 1 19 . 1 1 909 909 ILE N N 909 124.579 124.579 121.503 3.076 19955 14803 1 19 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.880 0.039 19955 14804 1 19 . 1 1 909 909 ILE C C 909 175.024 175.024 174.576 0.448 19955 14805 1 19 . 1 1 909 909 ILE CA C 909 56.699 56.699 58.299 -1.600 19955 14806 1 19 . 1 1 909 909 ILE CB C 909 35.387 35.387 38.859 -3.472 19955 14807 1 19 . 1 1 909 909 ILE H H 909 7.757 7.757 8.318 -0.561 19955 14808 1 19 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.235 0.394 19955 14809 1 19 . 1 1 910 910 PRO C C 910 176.353 176.353 177.694 -1.341 19955 14810 1 19 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.185 -11.387 19955 14811 1 19 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.916 -1.508 19955 14812 1 19 . 1 1 911 911 GLY N N 911 118.118 118.118 110.972 7.146 19955 14813 1 19 . 1 1 911 911 GLY C C 911 173.987 173.987 174.425 -0.438 19955 14814 1 19 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.077 0.255 19955 14815 1 19 . 1 1 911 911 GLY H H 911 7.869 7.869 8.635 -0.766 19955 14816 1 19 . 1 1 912 912 THR N N 912 109.041 109.041 112.514 -3.473 19955 14817 1 19 . 1 1 912 912 THR HA H 912 4.469 4.469 3.806 0.663 19955 14818 1 19 . 1 1 912 912 THR C C 912 174.144 174.144 174.000 0.144 19955 14819 1 19 . 1 1 912 912 THR CA C 912 60.194 60.194 62.785 -2.591 19955 14820 1 19 . 1 1 912 912 THR CB C 912 72.812 72.812 67.659 5.153 19955 14821 1 19 . 1 1 912 912 THR H H 912 7.743 7.743 8.037 -0.294 19955 14822 1 19 . 1 1 913 913 SER N N 913 126.292 126.292 116.425 9.867 19955 14823 1 19 . 1 1 913 913 SER HA H 913 4.671 4.671 4.205 0.466 19955 14824 1 19 . 1 1 913 913 SER C C 913 174.781 174.781 174.346 0.435 19955 14825 1 19 . 1 1 913 913 SER CA C 913 57.411 57.411 60.856 -3.445 19955 14826 1 19 . 1 1 913 913 SER CB C 913 63.258 63.258 63.828 -0.570 19955 14827 1 19 . 1 1 913 913 SER H H 913 7.896 7.896 8.039 -0.143 19955 14828 1 19 . 1 1 914 914 ARG N N 914 124.284 124.284 118.807 5.477 19955 14829 1 19 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.688 -0.435 19955 14830 1 19 . 1 1 914 914 ARG C C 914 174.712 174.712 174.098 0.614 19955 14831 1 19 . 1 1 914 914 ARG CA C 914 56.960 56.960 55.129 1.831 19955 14832 1 19 . 1 1 914 914 ARG CB C 914 30.694 30.694 32.881 -2.187 19955 14833 1 19 . 1 1 914 914 ARG H H 914 8.631 8.631 8.131 0.500 19955 14834 1 19 . 1 1 915 915 GLN N N 915 124.297 124.297 121.666 2.631 19955 14835 1 19 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.204 0.177 19955 14836 1 19 . 1 1 915 915 GLN C C 915 174.377 174.377 174.037 0.340 19955 14837 1 19 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.937 0.629 19955 14838 1 19 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.052 -1.046 19955 14839 1 19 . 1 1 915 915 GLN H H 915 8.054 8.054 8.653 -0.599 19955 14840 1 19 . 1 1 916 916 GLY N N 916 112.028 112.028 111.152 0.876 19955 14841 1 19 . 1 1 916 916 GLY C C 916 172.185 172.185 171.595 0.590 19955 14842 1 19 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.611 -0.364 19955 14843 1 19 . 1 1 916 916 GLY H H 916 8.818 8.818 8.567 0.251 19955 14844 1 19 . 1 1 917 917 ILE N N 917 113.634 113.634 116.057 -2.423 19955 14845 1 19 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.457 1.571 19955 14846 1 19 . 1 1 917 917 ILE C C 917 176.584 176.584 173.798 2.786 19955 14847 1 19 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.398 1.581 19955 14848 1 19 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.661 0.564 19955 14849 1 19 . 1 1 917 917 ILE H H 917 8.714 8.714 7.659 1.055 19955 14850 1 19 . 1 1 918 918 PHE N N 918 115.806 115.806 117.214 -1.408 19955 14851 1 19 . 1 1 918 918 PHE C C 918 170.959 170.959 172.585 -1.626 19955 14852 1 19 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.340 0.279 19955 14853 1 19 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.133 -0.511 19955 14854 1 19 . 1 1 918 918 PHE H H 918 8.573 8.573 7.292 1.281 19955 14855 1 19 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.403 -0.303 19955 14856 1 19 . 1 1 919 919 PRO C C 919 178.655 178.655 177.536 1.119 19955 14857 1 19 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.929 -0.931 19955 14858 1 19 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.913 -0.703 19955 14859 1 19 . 1 1 920 920 ILE N N 920 123.677 123.677 122.723 0.954 19955 14860 1 19 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.781 -0.090 19955 14861 1 19 . 1 1 920 920 ILE C C 920 176.798 176.798 178.037 -1.239 19955 14862 1 19 . 1 1 920 920 ILE CA C 920 63.373 63.373 64.777 -1.404 19955 14863 1 19 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.554 1.296 19955 14864 1 19 . 1 1 920 920 ILE H H 920 7.949 7.949 8.021 -0.072 19955 14865 1 19 . 1 1 921 921 THR N N 921 106.993 106.993 115.938 -8.945 19955 14866 1 19 . 1 1 921 921 THR HA H 921 4.294 4.294 4.157 0.137 19955 14867 1 19 . 1 1 921 921 THR C C 921 175.639 175.639 175.668 -0.029 19955 14868 1 19 . 1 1 921 921 THR CA C 921 62.983 62.983 66.182 -3.199 19955 14869 1 19 . 1 1 921 921 THR CB C 921 69.104 69.104 68.758 0.345 19955 14870 1 19 . 1 1 921 921 THR H H 921 7.500 7.500 8.043 -0.543 19955 14871 1 19 . 1 1 922 922 TYR N N 922 118.600 118.600 119.164 -0.564 19955 14872 1 19 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.796 -0.156 19955 14873 1 19 . 1 1 922 922 TYR C C 922 175.481 175.481 174.940 0.541 19955 14874 1 19 . 1 1 922 922 TYR CA C 922 59.448 59.448 56.797 2.651 19955 14875 1 19 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.459 0.141 19955 14876 1 19 . 1 1 922 922 TYR H H 922 7.836 7.836 7.988 -0.152 19955 14877 1 19 . 1 1 923 923 VAL N N 923 109.058 109.058 111.999 -2.941 19955 14878 1 19 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.826 0.133 19955 14879 1 19 . 1 1 923 923 VAL C C 923 172.905 172.905 174.206 -1.301 19955 14880 1 19 . 1 1 923 923 VAL CA C 923 58.490 58.490 58.973 -0.483 19955 14881 1 19 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.461 -0.173 19955 14882 1 19 . 1 1 923 923 VAL H H 923 7.701 7.701 7.538 0.163 19955 14883 1 19 . 1 1 924 924 ASP N N 924 120.115 120.115 122.199 -2.084 19955 14884 1 19 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.939 -0.005 19955 14885 1 19 . 1 1 924 924 ASP C C 924 175.863 175.863 175.091 0.772 19955 14886 1 19 . 1 1 924 924 ASP CA C 924 52.934 52.934 52.130 0.804 19955 14887 1 19 . 1 1 924 924 ASP CB C 924 42.263 42.263 43.009 -0.746 19955 14888 1 19 . 1 1 924 924 ASP H H 924 8.658 8.658 8.676 -0.018 19955 14889 1 19 . 1 1 925 925 VAL N N 925 125.090 125.090 119.909 5.181 19955 14890 1 19 . 1 1 925 925 VAL HA H 925 3.679 3.679 4.448 -0.769 19955 14891 1 19 . 1 1 925 925 VAL C C 925 175.620 175.620 174.787 0.833 19955 14892 1 19 . 1 1 925 925 VAL CA C 925 64.215 64.215 60.814 3.401 19955 14893 1 19 . 1 1 925 925 VAL CB C 925 31.721 31.721 32.741 -1.020 19955 14894 1 19 . 1 1 925 925 VAL H H 925 8.911 8.911 8.390 0.521 19955 14895 1 19 . 1 1 926 926 ILE N N 926 129.390 129.390 125.146 4.244 19955 14896 1 19 . 1 1 926 926 ILE HA H 926 4.037 4.037 4.245 -0.208 19955 14897 1 19 . 1 1 926 926 ILE C C 926 175.683 175.683 175.852 -0.169 19955 14898 1 19 . 1 1 926 926 ILE CA C 926 61.578 61.578 61.597 -0.020 19955 14899 1 19 . 1 1 926 926 ILE CB C 926 38.547 38.547 39.517 -0.970 19955 14900 1 19 . 1 1 926 926 ILE H H 926 8.519 8.519 8.913 -0.394 19955 14901 1 19 . 1 1 927 927 LYS N N 927 122.060 122.060 119.725 2.335 19955 14902 1 19 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.540 0.072 19955 14903 1 19 . 1 1 927 927 LYS C C 927 175.204 175.204 174.942 0.262 19955 14904 1 19 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.105 0.492 19955 14905 1 19 . 1 1 927 927 LYS CB C 927 35.633 35.633 35.165 0.468 19955 14906 1 19 . 1 1 927 927 LYS H H 927 8.017 8.017 7.514 0.503 19955 14907 1 19 . 1 1 928 928 ARG N N 928 126.441 126.441 124.516 1.925 19955 14908 1 19 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.428 -0.001 19955 14909 1 19 . 1 1 928 928 ARG C C 928 173.959 173.959 175.636 -1.677 19955 14910 1 19 . 1 1 928 928 ARG CA C 928 55.488 55.488 54.762 0.726 19955 14911 1 19 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.630 0.083 19955 14912 1 19 . 1 1 928 928 ARG H H 928 8.729 8.729 8.670 0.059 19955 14913 1 19 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.278 0.235 19955 14914 1 19 . 1 1 929 929 PRO CA C 929 62.718 62.718 63.750 -1.032 19955 14915 1 19 . 1 1 929 929 PRO CB C 929 31.616 31.616 31.923 -0.307 19955 14916 1 20 . 1 1 790 790 MET HA H 790 4.396 4.396 4.739 -0.343 19955 14917 1 20 . 1 1 790 790 MET CA C 790 55.378 55.378 54.980 0.397 19955 14918 1 20 . 1 1 790 790 MET CB C 790 32.960 32.960 35.071 -2.111 19955 14919 1 20 . 1 1 791 791 SER N N 791 118.373 118.373 116.764 1.609 19955 14920 1 20 . 1 1 791 791 SER HA H 791 4.362 4.362 4.225 0.137 19955 14921 1 20 . 1 1 791 791 SER C C 791 175.043 175.043 174.669 0.374 19955 14922 1 20 . 1 1 791 791 SER CA C 791 58.532 58.532 58.457 0.075 19955 14923 1 20 . 1 1 791 791 SER CB C 791 63.749 63.749 62.702 1.047 19955 14924 1 20 . 1 1 791 791 SER H H 791 8.657 8.657 8.471 0.186 19955 14925 1 20 . 1 1 792 792 GLY N N 792 111.254 111.254 109.756 1.498 19955 14926 1 20 . 1 1 792 792 GLY C C 792 174.362 174.362 174.847 -0.485 19955 14927 1 20 . 1 1 792 792 GLY CA C 792 45.539 45.539 46.677 -1.138 19955 14928 1 20 . 1 1 792 792 GLY H H 792 8.560 8.560 9.191 -0.631 19955 14929 1 20 . 1 1 793 793 SER N N 793 115.369 115.369 113.099 2.270 19955 14930 1 20 . 1 1 793 793 SER HA H 793 4.409 4.409 4.476 -0.067 19955 14931 1 20 . 1 1 793 793 SER C C 793 174.396 174.396 174.616 -0.220 19955 14932 1 20 . 1 1 793 793 SER CA C 793 58.485 58.485 58.298 0.187 19955 14933 1 20 . 1 1 793 793 SER CB C 793 63.845 63.845 63.214 0.631 19955 14934 1 20 . 1 1 793 793 SER H H 793 8.102 8.102 7.720 0.382 19955 14935 1 20 . 1 1 794 794 GLU N N 794 122.660 122.660 121.211 1.449 19955 14936 1 20 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.188 0.022 19955 14937 1 20 . 1 1 794 794 GLU C C 794 175.970 175.970 176.528 -0.558 19955 14938 1 20 . 1 1 794 794 GLU CA C 794 56.849 56.849 57.929 -1.080 19955 14939 1 20 . 1 1 794 794 GLU CB C 794 30.261 30.261 29.684 0.577 19955 14940 1 20 . 1 1 794 794 GLU H H 794 8.565 8.565 8.521 0.044 19955 14941 1 20 . 1 1 795 795 MET N N 795 119.544 119.544 117.625 1.919 19955 14942 1 20 . 1 1 795 795 MET HA H 795 4.653 4.653 4.674 -0.021 19955 14943 1 20 . 1 1 795 795 MET C C 795 175.590 175.590 175.787 -0.197 19955 14944 1 20 . 1 1 795 795 MET CA C 795 55.135 55.135 56.799 -1.664 19955 14945 1 20 . 1 1 795 795 MET CB C 795 32.378 32.378 33.016 -0.638 19955 14946 1 20 . 1 1 795 795 MET H H 795 8.156 8.156 7.739 0.417 19955 14947 1 20 . 1 1 796 796 ARG N N 796 122.177 122.177 121.798 0.379 19955 14948 1 20 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.982 -0.071 19955 14949 1 20 . 1 1 796 796 ARG C C 796 173.378 173.378 174.049 -0.671 19955 14950 1 20 . 1 1 796 796 ARG CA C 796 52.935 52.935 52.666 0.269 19955 14951 1 20 . 1 1 796 796 ARG CB C 796 32.172 32.172 33.385 -1.213 19955 14952 1 20 . 1 1 796 796 ARG H H 796 8.358 8.358 8.322 0.036 19955 14953 1 20 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.488 0.208 19955 14954 1 20 . 1 1 797 797 PRO C C 797 175.805 175.805 175.451 0.354 19955 14955 1 20 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.619 -0.462 19955 14956 1 20 . 1 1 797 797 PRO CB C 797 32.377 32.377 31.567 0.810 19955 14957 1 20 . 1 1 798 798 ALA N N 798 123.383 123.383 127.139 -3.756 19955 14958 1 20 . 1 1 798 798 ALA HA H 798 4.699 4.699 5.273 -0.574 19955 14959 1 20 . 1 1 798 798 ALA C C 798 173.534 173.534 175.549 -2.015 19955 14960 1 20 . 1 1 798 798 ALA CA C 798 50.823 50.823 49.729 1.094 19955 14961 1 20 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.144 0.579 19955 14962 1 20 . 1 1 798 798 ALA H H 798 8.820 8.820 9.200 -0.380 19955 14963 1 20 . 1 1 799 799 ARG N N 799 118.968 118.968 121.702 -2.734 19955 14964 1 20 . 1 1 799 799 ARG HA H 799 5.341 5.341 5.051 0.290 19955 14965 1 20 . 1 1 799 799 ARG C C 799 176.215 176.215 175.031 1.184 19955 14966 1 20 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.129 -1.007 19955 14967 1 20 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.990 0.449 19955 14968 1 20 . 1 1 799 799 ARG H H 799 8.803 8.803 8.834 -0.031 19955 14969 1 20 . 1 1 800 800 ALA N N 800 128.073 128.073 131.062 -2.989 19955 14970 1 20 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.615 -0.078 19955 14971 1 20 . 1 1 800 800 ALA C C 800 178.146 178.146 177.315 0.831 19955 14972 1 20 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.744 0.464 19955 14973 1 20 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.429 -0.775 19955 14974 1 20 . 1 1 800 800 ALA H H 800 9.037 9.037 9.095 -0.058 19955 14975 1 20 . 1 1 801 801 LYS N N 801 127.334 127.334 124.389 2.945 19955 14976 1 20 . 1 1 801 801 LYS HA H 801 3.758 3.758 3.887 -0.129 19955 14977 1 20 . 1 1 801 801 LYS C C 801 174.213 174.213 175.775 -1.562 19955 14978 1 20 . 1 1 801 801 LYS CA C 801 57.344 57.344 58.281 -0.937 19955 14979 1 20 . 1 1 801 801 LYS CB C 801 33.647 33.647 32.921 0.726 19955 14980 1 20 . 1 1 801 801 LYS H H 801 9.291 9.291 8.079 1.212 19955 14981 1 20 . 1 1 802 802 PHE N N 802 111.696 111.696 114.730 -3.034 19955 14982 1 20 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.697 0.044 19955 14983 1 20 . 1 1 802 802 PHE C C 802 173.408 173.408 173.972 -0.564 19955 14984 1 20 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.563 -3.194 19955 14985 1 20 . 1 1 802 802 PHE CB C 802 43.242 43.242 41.794 1.448 19955 14986 1 20 . 1 1 802 802 PHE H H 802 7.069 7.069 7.399 -0.330 19955 14987 1 20 . 1 1 803 803 ASP N N 803 117.498 117.498 120.962 -3.464 19955 14988 1 20 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.797 -0.273 19955 14989 1 20 . 1 1 803 803 ASP C C 803 175.782 175.782 175.288 0.494 19955 14990 1 20 . 1 1 803 803 ASP CA C 803 54.726 54.726 54.763 -0.036 19955 14991 1 20 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.774 -0.620 19955 14992 1 20 . 1 1 803 803 ASP H H 803 8.339 8.339 8.559 -0.221 19955 14993 1 20 . 1 1 804 804 PHE N N 804 123.264 123.264 126.180 -2.916 19955 14994 1 20 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.802 0.190 19955 14995 1 20 . 1 1 804 804 PHE C C 804 173.750 173.750 173.498 0.252 19955 14996 1 20 . 1 1 804 804 PHE CA C 804 56.221 56.221 57.000 -0.779 19955 14997 1 20 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.433 -0.301 19955 14998 1 20 . 1 1 804 804 PHE H H 804 9.223 9.223 9.259 -0.036 19955 14999 1 20 . 1 1 805 805 LYS N N 805 129.548 129.548 128.152 1.396 19955 15000 1 20 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.128 -0.007 19955 15001 1 20 . 1 1 805 805 LYS C C 805 174.042 174.042 174.453 -0.411 19955 15002 1 20 . 1 1 805 805 LYS CA C 805 54.368 54.368 55.236 -0.868 19955 15003 1 20 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.774 -1.993 19955 15004 1 20 . 1 1 805 805 LYS H H 805 8.125 8.125 8.118 0.007 19955 15005 1 20 . 1 1 806 806 ALA N N 806 127.231 127.231 126.071 1.160 19955 15006 1 20 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.021 -0.139 19955 15007 1 20 . 1 1 806 806 ALA C C 806 178.066 178.066 177.596 0.470 19955 15008 1 20 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.389 -0.791 19955 15009 1 20 . 1 1 806 806 ALA CB C 806 20.505 20.505 18.396 2.109 19955 15010 1 20 . 1 1 806 806 ALA H H 806 7.291 7.291 8.202 -0.911 19955 15011 1 20 . 1 1 807 807 GLN N N 807 121.482 121.482 122.541 -1.059 19955 15012 1 20 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.023 0.303 19955 15013 1 20 . 1 1 807 807 GLN C C 807 175.927 175.927 175.837 0.090 19955 15014 1 20 . 1 1 807 807 GLN CA C 807 56.206 56.206 57.742 -1.536 19955 15015 1 20 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.233 1.709 19955 15016 1 20 . 1 1 807 807 GLN H H 807 9.375 9.375 8.977 0.398 19955 15017 1 20 . 1 1 808 808 THR N N 808 108.842 108.842 107.948 0.894 19955 15018 1 20 . 1 1 808 808 THR HA H 808 4.661 4.661 4.521 0.140 19955 15019 1 20 . 1 1 808 808 THR C C 808 175.262 175.262 175.205 0.057 19955 15020 1 20 . 1 1 808 808 THR CA C 808 59.313 59.313 59.568 -0.255 19955 15021 1 20 . 1 1 808 808 THR CB C 808 71.810 71.810 71.751 0.059 19955 15022 1 20 . 1 1 808 808 THR H H 808 7.472 7.472 7.533 -0.061 19955 15023 1 20 . 1 1 809 809 LEU N N 809 119.518 119.518 119.268 0.250 19955 15024 1 20 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.044 0.156 19955 15025 1 20 . 1 1 809 809 LEU C C 809 177.895 177.895 177.342 0.553 19955 15026 1 20 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.525 -0.438 19955 15027 1 20 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.476 0.425 19955 15028 1 20 . 1 1 809 809 LEU H H 809 8.387 8.387 8.482 -0.095 19955 15029 1 20 . 1 1 810 810 LYS N N 810 115.587 115.587 118.119 -2.532 19955 15030 1 20 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.044 0.186 19955 15031 1 20 . 1 1 810 810 LYS C C 810 177.172 177.172 177.020 0.152 19955 15032 1 20 . 1 1 810 810 LYS CA C 810 56.807 56.807 57.879 -1.072 19955 15033 1 20 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.721 0.338 19955 15034 1 20 . 1 1 810 810 LYS H H 810 7.707 7.707 8.088 -0.381 19955 15035 1 20 . 1 1 811 811 GLU N N 811 119.522 119.522 116.258 3.264 19955 15036 1 20 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.434 0.265 19955 15037 1 20 . 1 1 811 811 GLU C C 811 174.240 174.240 176.163 -1.923 19955 15038 1 20 . 1 1 811 811 GLU CA C 811 55.419 55.419 56.625 -1.206 19955 15039 1 20 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.762 1.592 19955 15040 1 20 . 1 1 811 811 GLU H H 811 7.244 7.244 7.436 -0.192 19955 15041 1 20 . 1 1 812 812 LEU N N 812 126.910 126.910 117.662 9.248 19955 15042 1 20 . 1 1 812 812 LEU C C 812 172.269 172.269 174.257 -1.988 19955 15043 1 20 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.269 -0.758 19955 15044 1 20 . 1 1 812 812 LEU CB C 812 45.092 45.092 42.540 2.552 19955 15045 1 20 . 1 1 812 812 LEU H H 812 9.168 9.168 7.956 1.212 19955 15046 1 20 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.675 -0.238 19955 15047 1 20 . 1 1 813 813 PRO C C 813 176.755 176.755 175.749 1.006 19955 15048 1 20 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.288 0.258 19955 15049 1 20 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.806 -0.831 19955 15050 1 20 . 1 1 814 814 LEU N N 814 118.726 118.726 122.088 -3.362 19955 15051 1 20 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.653 -0.007 19955 15052 1 20 . 1 1 814 814 LEU C C 814 176.452 176.452 175.270 1.182 19955 15053 1 20 . 1 1 814 814 LEU CA C 814 53.391 53.391 54.203 -0.812 19955 15054 1 20 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.484 0.412 19955 15055 1 20 . 1 1 814 814 LEU H H 814 8.532 8.532 8.965 -0.433 19955 15056 1 20 . 1 1 815 815 GLN N N 815 123.473 123.473 120.771 2.702 19955 15057 1 20 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.869 -0.118 19955 15058 1 20 . 1 1 815 815 GLN C C 815 174.820 174.820 175.294 -0.474 19955 15059 1 20 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.668 -0.332 19955 15060 1 20 . 1 1 815 815 GLN CB C 815 31.094 31.094 32.021 -0.927 19955 15061 1 20 . 1 1 815 815 GLN H H 815 8.938 8.938 8.516 0.422 19955 15062 1 20 . 1 1 816 816 LYS N N 816 122.982 122.982 125.497 -2.515 19955 15063 1 20 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.771 -0.656 19955 15064 1 20 . 1 1 816 816 LYS C C 816 177.030 177.030 177.647 -0.617 19955 15065 1 20 . 1 1 816 816 LYS CA C 816 58.676 58.676 58.250 0.426 19955 15066 1 20 . 1 1 816 816 LYS CB C 816 32.242 32.242 32.013 0.229 19955 15067 1 20 . 1 1 816 816 LYS H H 816 8.888 8.888 8.946 -0.058 19955 15068 1 20 . 1 1 817 817 GLY N N 817 115.370 115.370 115.246 0.124 19955 15069 1 20 . 1 1 817 817 GLY C C 817 174.271 174.271 174.447 -0.176 19955 15070 1 20 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.506 0.155 19955 15071 1 20 . 1 1 817 817 GLY H H 817 8.870 8.870 8.998 -0.128 19955 15072 1 20 . 1 1 818 818 ASP N N 818 123.102 123.102 121.719 1.383 19955 15073 1 20 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.618 -0.289 19955 15074 1 20 . 1 1 818 818 ASP C C 818 175.076 175.076 175.560 -0.484 19955 15075 1 20 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.533 1.062 19955 15076 1 20 . 1 1 818 818 ASP CB C 818 41.538 41.538 42.016 -0.478 19955 15077 1 20 . 1 1 818 818 ASP H H 818 8.468 8.468 8.320 0.148 19955 15078 1 20 . 1 1 819 819 ILE N N 819 121.053 121.053 123.900 -2.847 19955 15079 1 20 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.864 -0.044 19955 15080 1 20 . 1 1 819 819 ILE C C 819 175.630 175.630 175.832 -0.202 19955 15081 1 20 . 1 1 819 819 ILE CA C 819 58.602 58.602 58.935 -0.333 19955 15082 1 20 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.653 -1.112 19955 15083 1 20 . 1 1 819 819 ILE H H 819 8.286 8.286 8.135 0.151 19955 15084 1 20 . 1 1 820 820 VAL N N 820 124.554 124.554 120.591 3.963 19955 15085 1 20 . 1 1 820 820 VAL HA H 820 4.679 4.679 5.006 -0.327 19955 15086 1 20 . 1 1 820 820 VAL C C 820 172.751 172.751 173.936 -1.185 19955 15087 1 20 . 1 1 820 820 VAL CA C 820 57.861 57.861 59.099 -1.238 19955 15088 1 20 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.524 -1.152 19955 15089 1 20 . 1 1 820 820 VAL H H 820 8.717 8.717 8.849 -0.132 19955 15090 1 20 . 1 1 821 821 TYR N N 821 120.296 120.296 121.328 -1.032 19955 15091 1 20 . 1 1 821 821 TYR HA H 821 4.803 4.803 5.492 -0.689 19955 15092 1 20 . 1 1 821 821 TYR C C 821 175.760 175.760 176.375 -0.615 19955 15093 1 20 . 1 1 821 821 TYR CA C 821 56.838 56.838 55.965 0.873 19955 15094 1 20 . 1 1 821 821 TYR CB C 821 40.132 40.132 40.056 0.076 19955 15095 1 20 . 1 1 821 821 TYR H H 821 8.360 8.360 8.445 -0.085 19955 15096 1 20 . 1 1 822 822 ILE N N 822 123.440 123.440 126.194 -2.754 19955 15097 1 20 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.522 -0.657 19955 15098 1 20 . 1 1 822 822 ILE C C 822 176.541 176.541 176.909 -0.368 19955 15099 1 20 . 1 1 822 822 ILE CA C 822 62.327 62.327 59.878 2.449 19955 15100 1 20 . 1 1 822 822 ILE CB C 822 39.429 39.429 35.553 3.876 19955 15101 1 20 . 1 1 822 822 ILE H H 822 8.991 8.991 8.485 0.506 19955 15102 1 20 . 1 1 823 823 TYR N N 823 127.197 127.197 127.288 -0.091 19955 15103 1 20 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.563 0.505 19955 15104 1 20 . 1 1 823 823 TYR C C 823 176.327 176.327 174.608 1.719 19955 15105 1 20 . 1 1 823 823 TYR CA C 823 56.331 56.331 57.666 -1.335 19955 15106 1 20 . 1 1 823 823 TYR CB C 823 38.285 38.285 39.361 -1.076 19955 15107 1 20 . 1 1 823 823 TYR H H 823 9.699 9.699 8.288 1.411 19955 15108 1 20 . 1 1 824 824 LYS N N 824 113.691 113.691 119.093 -5.402 19955 15109 1 20 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.225 0.439 19955 15110 1 20 . 1 1 824 824 LYS C C 824 174.044 174.044 173.828 0.216 19955 15111 1 20 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.270 0.031 19955 15112 1 20 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.431 0.673 19955 15113 1 20 . 1 1 824 824 LYS H H 824 7.904 7.904 7.013 0.891 19955 15114 1 20 . 1 1 825 825 GLN N N 825 122.998 122.998 125.809 -2.811 19955 15115 1 20 . 1 1 825 825 GLN HA H 825 4.614 4.614 3.815 0.799 19955 15116 1 20 . 1 1 825 825 GLN C C 825 175.372 175.372 174.309 1.063 19955 15117 1 20 . 1 1 825 825 GLN CA C 825 55.970 55.970 55.590 0.380 19955 15118 1 20 . 1 1 825 825 GLN CB C 825 29.014 29.014 28.495 0.519 19955 15119 1 20 . 1 1 825 825 GLN H H 825 9.091 9.091 8.592 0.499 19955 15120 1 20 . 1 1 826 826 ILE N N 826 126.911 126.911 126.838 0.073 19955 15121 1 20 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.016 -0.066 19955 15122 1 20 . 1 1 826 826 ILE C C 826 175.447 175.447 176.497 -1.050 19955 15123 1 20 . 1 1 826 826 ILE CA C 826 62.062 62.062 62.297 -0.235 19955 15124 1 20 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.539 -0.360 19955 15125 1 20 . 1 1 826 826 ILE H H 826 8.356 8.356 8.163 0.193 19955 15126 1 20 . 1 1 827 827 ASP N N 827 118.575 118.575 116.709 1.866 19955 15127 1 20 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.891 -0.472 19955 15128 1 20 . 1 1 827 827 ASP C C 827 175.673 175.673 175.052 0.621 19955 15129 1 20 . 1 1 827 827 ASP CA C 827 53.255 53.255 53.102 0.152 19955 15130 1 20 . 1 1 827 827 ASP CB C 827 40.120 40.120 43.066 -2.946 19955 15131 1 20 . 1 1 827 827 ASP H H 827 7.952 7.952 8.038 -0.086 19955 15132 1 20 . 1 1 828 828 GLN N N 828 113.633 113.633 117.455 -3.822 19955 15133 1 20 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.182 -0.310 19955 15134 1 20 . 1 1 828 828 GLN C C 828 175.745 175.745 176.039 -0.294 19955 15135 1 20 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.117 0.144 19955 15136 1 20 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.685 -0.187 19955 15137 1 20 . 1 1 828 828 GLN H H 828 8.468 8.468 8.593 -0.125 19955 15138 1 20 . 1 1 829 829 ASN N N 829 114.412 114.412 114.971 -0.559 19955 15139 1 20 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.721 0.021 19955 15140 1 20 . 1 1 829 829 ASN C C 829 175.652 175.652 173.633 2.019 19955 15141 1 20 . 1 1 829 829 ASN CA C 829 53.641 53.641 53.009 0.632 19955 15142 1 20 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.648 2.167 19955 15143 1 20 . 1 1 829 829 ASN H H 829 8.799 8.799 8.476 0.323 19955 15144 1 20 . 1 1 830 830 TRP N N 830 121.661 121.661 119.587 2.074 19955 15145 1 20 . 1 1 830 830 TRP HA H 830 4.810 4.810 4.809 0.001 19955 15146 1 20 . 1 1 830 830 TRP C C 830 175.077 175.077 174.662 0.415 19955 15147 1 20 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.870 0.420 19955 15148 1 20 . 1 1 830 830 TRP CB C 830 32.570 32.570 32.547 0.023 19955 15149 1 20 . 1 1 830 830 TRP H H 830 8.033 8.033 7.235 0.798 19955 15150 1 20 . 1 1 831 831 TYR N N 831 120.163 120.163 121.292 -1.129 19955 15151 1 20 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.666 0.379 19955 15152 1 20 . 1 1 831 831 TYR C C 831 173.672 173.672 173.138 0.534 19955 15153 1 20 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.656 -0.284 19955 15154 1 20 . 1 1 831 831 TYR CB C 831 42.726 42.726 43.488 -0.762 19955 15155 1 20 . 1 1 831 831 TYR H H 831 8.721 8.721 8.709 0.012 19955 15156 1 20 . 1 1 832 832 GLU N N 832 117.935 117.935 120.191 -2.256 19955 15157 1 20 . 1 1 832 832 GLU HA H 832 4.937 4.937 4.815 0.122 19955 15158 1 20 . 1 1 832 832 GLU C C 832 176.121 176.121 174.484 1.637 19955 15159 1 20 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.255 0.149 19955 15160 1 20 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.784 0.171 19955 15161 1 20 . 1 1 832 832 GLU H H 832 8.696 8.696 7.949 0.747 19955 15162 1 20 . 1 1 833 833 GLY N N 833 115.171 115.171 111.676 3.495 19955 15163 1 20 . 1 1 833 833 GLY C C 833 168.962 168.962 171.959 -2.997 19955 15164 1 20 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.347 1.276 19955 15165 1 20 . 1 1 833 833 GLY H H 833 9.063 9.063 8.138 0.925 19955 15166 1 20 . 1 1 834 834 GLU N N 834 117.849 117.849 121.206 -3.357 19955 15167 1 20 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.692 -0.003 19955 15168 1 20 . 1 1 834 834 GLU C C 834 175.077 175.077 175.321 -0.244 19955 15169 1 20 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.387 -0.421 19955 15170 1 20 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.272 1.772 19955 15171 1 20 . 1 1 834 834 GLU H H 834 8.708 8.708 8.788 -0.080 19955 15172 1 20 . 1 1 835 835 HIS N N 835 120.973 120.973 125.215 -4.242 19955 15173 1 20 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.233 -0.399 19955 15174 1 20 . 1 1 835 835 HIS C C 835 174.509 174.509 174.945 -0.436 19955 15175 1 20 . 1 1 835 835 HIS CA C 835 56.249 56.249 55.245 1.004 19955 15176 1 20 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.986 0.225 19955 15177 1 20 . 1 1 835 835 HIS H H 835 8.799 8.799 9.559 -0.760 19955 15178 1 20 . 1 1 836 836 HIS N N 836 125.728 125.728 125.506 0.222 19955 15179 1 20 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.146 0.020 19955 15180 1 20 . 1 1 836 836 HIS C C 836 175.012 175.012 174.819 0.193 19955 15181 1 20 . 1 1 836 836 HIS CA C 836 55.689 55.689 56.191 -0.502 19955 15182 1 20 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.505 -0.511 19955 15183 1 20 . 1 1 836 836 HIS H H 836 9.163 9.163 9.109 0.054 19955 15184 1 20 . 1 1 837 837 GLY N N 837 104.909 104.909 103.657 1.252 19955 15185 1 20 . 1 1 837 837 GLY C C 837 173.235 173.235 174.182 -0.947 19955 15186 1 20 . 1 1 837 837 GLY CA C 837 45.654 45.654 44.979 0.675 19955 15187 1 20 . 1 1 837 837 GLY H H 837 9.070 9.070 8.417 0.653 19955 15188 1 20 . 1 1 838 838 ARG N N 838 122.925 122.925 120.709 2.216 19955 15189 1 20 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.764 -0.171 19955 15190 1 20 . 1 1 838 838 ARG C C 838 173.682 173.682 174.597 -0.915 19955 15191 1 20 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.564 0.317 19955 15192 1 20 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.295 -1.237 19955 15193 1 20 . 1 1 838 838 ARG H H 838 7.814 7.814 8.146 -0.332 19955 15194 1 20 . 1 1 839 839 VAL N N 839 123.572 123.572 120.696 2.876 19955 15195 1 20 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.259 -0.125 19955 15196 1 20 . 1 1 839 839 VAL C C 839 177.296 177.296 175.180 2.116 19955 15197 1 20 . 1 1 839 839 VAL CA C 839 60.200 60.200 61.291 -1.091 19955 15198 1 20 . 1 1 839 839 VAL CB C 839 33.994 33.994 35.297 -1.303 19955 15199 1 20 . 1 1 839 839 VAL H H 839 8.360 8.360 8.676 -0.316 19955 15200 1 20 . 1 1 840 840 GLY N N 840 114.006 114.006 113.959 0.047 19955 15201 1 20 . 1 1 840 840 GLY C C 840 171.246 171.246 171.812 -0.566 19955 15202 1 20 . 1 1 840 840 GLY CA C 840 45.896 45.896 45.022 0.874 19955 15203 1 20 . 1 1 840 840 GLY H H 840 8.951 8.951 8.205 0.746 19955 15204 1 20 . 1 1 841 841 ILE N N 841 112.496 112.496 115.749 -3.253 19955 15205 1 20 . 1 1 841 841 ILE HA H 841 5.881 5.881 5.132 0.749 19955 15206 1 20 . 1 1 841 841 ILE C C 841 176.120 176.120 174.075 2.045 19955 15207 1 20 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.712 0.655 19955 15208 1 20 . 1 1 841 841 ILE CB C 841 40.917 40.917 42.167 -1.250 19955 15209 1 20 . 1 1 841 841 ILE H H 841 8.434 8.434 7.928 0.506 19955 15210 1 20 . 1 1 842 842 PHE N N 842 116.289 116.289 116.650 -0.361 19955 15211 1 20 . 1 1 842 842 PHE HA H 842 4.971 4.971 5.186 -0.215 19955 15212 1 20 . 1 1 842 842 PHE C C 842 171.777 171.777 172.822 -1.045 19955 15213 1 20 . 1 1 842 842 PHE CA C 842 54.265 54.265 55.203 -0.938 19955 15214 1 20 . 1 1 842 842 PHE CB C 842 37.515 37.515 40.062 -2.547 19955 15215 1 20 . 1 1 842 842 PHE H H 842 8.408 8.408 8.145 0.263 19955 15216 1 20 . 1 1 843 843 PRO HA H 843 3.934 3.934 4.284 -0.350 19955 15217 1 20 . 1 1 843 843 PRO C C 843 178.228 178.228 177.865 0.363 19955 15218 1 20 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.663 -1.050 19955 15219 1 20 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.355 0.040 19955 15220 1 20 . 1 1 844 844 ARG N N 844 122.291 122.291 126.088 -3.797 19955 15221 1 20 . 1 1 844 844 ARG HA H 844 3.944 3.944 3.858 0.086 19955 15222 1 20 . 1 1 844 844 ARG C C 844 178.171 178.171 177.969 0.202 19955 15223 1 20 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.304 -0.686 19955 15224 1 20 . 1 1 844 844 ARG CB C 844 30.297 30.297 28.997 1.300 19955 15225 1 20 . 1 1 844 844 ARG H H 844 7.906 7.906 8.018 -0.112 19955 15226 1 20 . 1 1 845 845 THR N N 845 105.068 105.068 110.262 -5.194 19955 15227 1 20 . 1 1 845 845 THR HA H 845 4.159 4.159 4.104 0.055 19955 15228 1 20 . 1 1 845 845 THR C C 845 175.363 175.363 175.122 0.241 19955 15229 1 20 . 1 1 845 845 THR CA C 845 63.035 63.035 64.490 -1.455 19955 15230 1 20 . 1 1 845 845 THR CB C 845 69.022 69.022 68.531 0.491 19955 15231 1 20 . 1 1 845 845 THR H H 845 7.907 7.907 7.900 0.007 19955 15232 1 20 . 1 1 846 846 TYR N N 846 118.977 118.977 120.825 -1.848 19955 15233 1 20 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.630 -0.095 19955 15234 1 20 . 1 1 846 846 TYR C C 846 174.917 174.917 174.441 0.476 19955 15235 1 20 . 1 1 846 846 TYR CA C 846 58.751 58.751 58.928 -0.177 19955 15236 1 20 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.277 -1.222 19955 15237 1 20 . 1 1 846 846 TYR H H 846 7.611 7.611 8.072 -0.461 19955 15238 1 20 . 1 1 847 847 ILE N N 847 113.230 113.230 112.764 0.466 19955 15239 1 20 . 1 1 847 847 ILE HA H 847 5.099 5.099 4.997 0.102 19955 15240 1 20 . 1 1 847 847 ILE C C 847 174.141 174.141 174.212 -0.071 19955 15241 1 20 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.361 -0.907 19955 15242 1 20 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.666 -0.475 19955 15243 1 20 . 1 1 847 847 ILE H H 847 7.390 7.390 7.369 0.021 19955 15244 1 20 . 1 1 848 848 GLU N N 848 121.909 121.909 121.290 0.619 19955 15245 1 20 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.621 -0.073 19955 15246 1 20 . 1 1 848 848 GLU C C 848 175.193 175.193 174.690 0.503 19955 15247 1 20 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.431 -0.767 19955 15248 1 20 . 1 1 848 848 GLU CB C 848 32.624 32.624 33.719 -1.095 19955 15249 1 20 . 1 1 848 848 GLU H H 848 8.786 8.786 8.363 0.423 19955 15250 1 20 . 1 1 849 849 LEU N N 849 126.431 126.431 128.545 -2.114 19955 15251 1 20 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.327 -0.236 19955 15252 1 20 . 1 1 849 849 LEU C C 849 177.019 177.019 176.442 0.577 19955 15253 1 20 . 1 1 849 849 LEU CA C 849 55.667 55.667 55.102 0.565 19955 15254 1 20 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.458 -0.916 19955 15255 1 20 . 1 1 849 849 LEU H H 849 8.730 8.730 8.637 0.093 19955 15256 1 20 . 1 1 850 850 LEU N N 850 123.942 123.942 126.796 -2.854 19955 15257 1 20 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.123 0.439 19955 15258 1 20 . 1 1 850 850 LEU C C 850 174.453 174.453 174.117 0.336 19955 15259 1 20 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.556 -1.751 19955 15260 1 20 . 1 1 850 850 LEU CB C 850 40.963 40.963 40.894 0.069 19955 15261 1 20 . 1 1 850 850 LEU H H 850 7.846 7.846 8.651 -0.805 19955 15262 1 20 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.320 0.009 19955 15263 1 20 . 1 1 852 852 PRO C C 852 176.580 176.580 176.633 -0.053 19955 15264 1 20 . 1 1 852 852 PRO CA C 852 62.903 62.903 62.958 -0.055 19955 15265 1 20 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.408 -0.643 19955 15266 1 20 . 1 1 853 853 ALA N N 853 124.102 124.102 125.660 -1.558 19955 15267 1 20 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.228 0.012 19955 15268 1 20 . 1 1 853 853 ALA C C 853 177.767 177.767 178.129 -0.362 19955 15269 1 20 . 1 1 853 853 ALA CA C 853 52.258 52.258 51.962 0.296 19955 15270 1 20 . 1 1 853 853 ALA CB C 853 19.516 19.516 19.770 -0.254 19955 15271 1 20 . 1 1 853 853 ALA H H 853 8.354 8.354 8.157 0.197 19955 15272 1 20 . 1 1 854 854 GLU N N 854 120.540 120.540 124.177 -3.637 19955 15273 1 20 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.238 -0.035 19955 15274 1 20 . 1 1 854 854 GLU C C 854 176.402 176.402 176.659 -0.257 19955 15275 1 20 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.570 -0.190 19955 15276 1 20 . 1 1 854 854 GLU CB C 854 30.432 30.432 28.540 1.892 19955 15277 1 20 . 1 1 854 854 GLU H H 854 8.348 8.348 8.751 -0.403 19955 15278 1 20 . 1 1 855 855 LYS N N 855 122.717 122.717 121.018 1.699 19955 15279 1 20 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.308 -0.093 19955 15280 1 20 . 1 1 855 855 LYS C C 855 176.078 176.078 175.702 0.376 19955 15281 1 20 . 1 1 855 855 LYS CA C 855 56.018 56.018 55.835 0.183 19955 15282 1 20 . 1 1 855 855 LYS CB C 855 33.187 33.187 32.840 0.347 19955 15283 1 20 . 1 1 855 855 LYS H H 855 8.305 8.305 7.915 0.390 19955 15284 1 20 . 1 1 856 856 ALA N N 856 125.584 125.584 122.237 3.347 19955 15285 1 20 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.447 -0.206 19955 15286 1 20 . 1 1 856 856 ALA C C 856 177.276 177.276 176.934 0.342 19955 15287 1 20 . 1 1 856 856 ALA CA C 856 52.046 52.046 51.467 0.579 19955 15288 1 20 . 1 1 856 856 ALA CB C 856 19.294 19.294 19.596 -0.302 19955 15289 1 20 . 1 1 856 856 ALA H H 856 8.219 8.219 7.645 0.574 19955 15290 1 20 . 1 1 857 857 GLN N N 857 121.223 121.223 119.635 1.588 19955 15291 1 20 . 1 1 857 857 GLN C C 857 173.964 173.964 173.746 0.218 19955 15292 1 20 . 1 1 857 857 GLN CA C 857 53.490 53.490 55.389 -1.899 19955 15293 1 20 . 1 1 857 857 GLN CB C 857 29.040 29.040 26.695 2.345 19955 15294 1 20 . 1 1 857 857 GLN H H 857 8.333 8.333 8.624 -0.291 19955 15295 1 20 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.322 0.016 19955 15296 1 20 . 1 1 858 858 PRO C C 858 176.696 176.696 177.207 -0.511 19955 15297 1 20 . 1 1 858 858 PRO CA C 858 62.910 62.910 63.176 -0.266 19955 15298 1 20 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.239 -0.163 19955 15299 1 20 . 1 1 859 859 LYS N N 859 121.891 121.891 125.085 -3.194 19955 15300 1 20 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.194 -0.004 19955 15301 1 20 . 1 1 859 859 LYS C C 859 176.382 176.382 176.829 -0.447 19955 15302 1 20 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.943 -0.813 19955 15303 1 20 . 1 1 859 859 LYS CB C 859 33.070 33.070 32.729 0.341 19955 15304 1 20 . 1 1 859 859 LYS H H 859 8.355 8.355 8.532 -0.177 19955 15305 1 20 . 1 1 860 860 LYS N N 860 123.002 123.002 120.592 2.410 19955 15306 1 20 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.386 -0.141 19955 15307 1 20 . 1 1 860 860 LYS C C 860 176.131 176.131 176.187 -0.056 19955 15308 1 20 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.170 -0.318 19955 15309 1 20 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.664 0.484 19955 15310 1 20 . 1 1 860 860 LYS H H 860 8.267 8.267 8.470 -0.203 19955 15311 1 20 . 1 1 861 861 LEU N N 861 124.576 124.576 122.947 1.629 19955 15312 1 20 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.250 0.106 19955 15313 1 20 . 1 1 861 861 LEU C C 861 177.069 177.069 177.493 -0.424 19955 15314 1 20 . 1 1 861 861 LEU CA C 861 54.795 54.795 54.938 -0.143 19955 15315 1 20 . 1 1 861 861 LEU CB C 861 42.350 42.350 42.008 0.342 19955 15316 1 20 . 1 1 861 861 LEU H H 861 8.316 8.316 7.589 0.727 19955 15317 1 20 . 1 1 862 862 THR N N 862 117.878 117.878 116.597 1.281 19955 15318 1 20 . 1 1 862 862 THR HA H 862 4.729 4.729 4.459 0.270 19955 15319 1 20 . 1 1 862 862 THR C C 862 172.639 172.639 173.546 -0.907 19955 15320 1 20 . 1 1 862 862 THR CA C 862 59.644 59.644 60.187 -0.543 19955 15321 1 20 . 1 1 862 862 THR CB C 862 69.476 69.476 68.707 0.769 19955 15322 1 20 . 1 1 862 862 THR H H 862 8.162 8.162 8.075 0.087 19955 15323 1 20 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.454 -0.086 19955 15324 1 20 . 1 1 863 863 PRO C C 863 176.753 176.753 177.973 -1.220 19955 15325 1 20 . 1 1 863 863 PRO CA C 863 63.192 63.192 62.992 0.200 19955 15326 1 20 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.322 -0.264 19955 15327 1 20 . 1 1 864 864 VAL N N 864 120.359 120.359 122.687 -2.328 19955 15328 1 20 . 1 1 864 864 VAL HA H 864 3.985 3.985 3.679 0.306 19955 15329 1 20 . 1 1 864 864 VAL C C 864 175.964 175.964 176.930 -0.966 19955 15330 1 20 . 1 1 864 864 VAL CA C 864 62.342 62.342 64.402 -2.060 19955 15331 1 20 . 1 1 864 864 VAL CB C 864 32.521 32.521 32.043 0.478 19955 15332 1 20 . 1 1 864 864 VAL H H 864 8.102 8.102 8.294 -0.192 19955 15333 1 20 . 1 1 865 865 GLN N N 865 124.642 124.642 120.582 4.060 19955 15334 1 20 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.111 0.175 19955 15335 1 20 . 1 1 865 865 GLN C C 865 175.443 175.443 175.822 -0.379 19955 15336 1 20 . 1 1 865 865 GLN CA C 865 55.595 55.595 56.786 -1.191 19955 15337 1 20 . 1 1 865 865 GLN CB C 865 29.739 29.739 28.175 1.564 19955 15338 1 20 . 1 1 865 865 GLN H H 865 8.333 8.333 8.388 -0.055 19955 15339 1 20 . 1 1 866 866 VAL N N 866 123.436 123.436 124.967 -1.531 19955 15340 1 20 . 1 1 866 866 VAL HA H 866 3.969 3.969 3.654 0.315 19955 15341 1 20 . 1 1 866 866 VAL C C 866 175.685 175.685 177.669 -1.984 19955 15342 1 20 . 1 1 866 866 VAL CA C 866 62.398 62.398 65.497 -3.099 19955 15343 1 20 . 1 1 866 866 VAL CB C 866 32.832 32.832 31.919 0.913 19955 15344 1 20 . 1 1 866 866 VAL H H 866 8.189 8.189 8.384 -0.195 19955 15345 1 20 . 1 1 867 867 LEU N N 867 127.515 127.515 119.505 8.010 19955 15346 1 20 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.010 0.252 19955 15347 1 20 . 1 1 867 867 LEU C C 867 177.037 177.037 176.779 0.258 19955 15348 1 20 . 1 1 867 867 LEU CA C 867 55.688 55.688 55.381 0.307 19955 15349 1 20 . 1 1 867 867 LEU CB C 867 42.552 42.552 41.913 0.638 19955 15350 1 20 . 1 1 867 867 LEU H H 867 8.679 8.679 7.820 0.859 19955 15351 1 20 . 1 1 868 868 GLU N N 868 120.794 120.794 114.301 6.493 19955 15352 1 20 . 1 1 868 868 GLU HA H 868 4.219 4.219 3.927 0.292 19955 15353 1 20 . 1 1 868 868 GLU C C 868 175.353 175.353 175.194 0.159 19955 15354 1 20 . 1 1 868 868 GLU CA C 868 55.753 55.753 56.465 -0.712 19955 15355 1 20 . 1 1 868 868 GLU CB C 868 31.419 31.419 29.638 1.781 19955 15356 1 20 . 1 1 868 868 GLU H H 868 8.272 8.272 8.003 0.269 19955 15357 1 20 . 1 1 869 869 TYR N N 869 121.165 121.165 123.336 -2.171 19955 15358 1 20 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.431 0.269 19955 15359 1 20 . 1 1 869 869 TYR C C 869 176.824 176.824 176.721 0.103 19955 15360 1 20 . 1 1 869 869 TYR CA C 869 56.809 56.809 58.983 -2.174 19955 15361 1 20 . 1 1 869 869 TYR CB C 869 38.650 38.650 39.046 -0.396 19955 15362 1 20 . 1 1 869 869 TYR H H 869 8.003 8.003 8.620 -0.617 19955 15363 1 20 . 1 1 870 870 GLY N N 870 104.958 104.958 110.064 -5.106 19955 15364 1 20 . 1 1 870 870 GLY C C 870 173.846 173.846 173.159 0.687 19955 15365 1 20 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.637 -0.418 19955 15366 1 20 . 1 1 870 870 GLY H H 870 8.590 8.590 8.583 0.007 19955 15367 1 20 . 1 1 871 871 GLU N N 871 122.341 122.341 121.425 0.916 19955 15368 1 20 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.174 0.048 19955 15369 1 20 . 1 1 871 871 GLU C C 871 173.827 173.827 174.498 -0.671 19955 15370 1 20 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.905 0.954 19955 15371 1 20 . 1 1 871 871 GLU CB C 871 34.934 34.934 33.410 1.524 19955 15372 1 20 . 1 1 871 871 GLU H H 871 9.246 9.246 7.996 1.250 19955 15373 1 20 . 1 1 872 872 ALA N N 872 126.709 126.709 125.456 1.253 19955 15374 1 20 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.272 -0.168 19955 15375 1 20 . 1 1 872 872 ALA C C 872 174.022 174.022 174.993 -0.971 19955 15376 1 20 . 1 1 872 872 ALA CA C 872 50.135 50.135 50.714 -0.579 19955 15377 1 20 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.696 1.802 19955 15378 1 20 . 1 1 872 872 ALA H H 872 9.266 9.266 8.703 0.563 19955 15379 1 20 . 1 1 873 873 ILE N N 873 118.554 118.554 120.845 -2.291 19955 15380 1 20 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.771 -0.157 19955 15381 1 20 . 1 1 873 873 ILE C C 873 176.132 176.132 175.004 1.128 19955 15382 1 20 . 1 1 873 873 ILE CA C 873 58.788 58.788 58.505 0.283 19955 15383 1 20 . 1 1 873 873 ILE CB C 873 40.630 40.630 41.365 -0.735 19955 15384 1 20 . 1 1 873 873 ILE H H 873 8.522 8.522 8.400 0.122 19955 15385 1 20 . 1 1 874 874 ALA N N 874 129.739 129.739 131.031 -1.292 19955 15386 1 20 . 1 1 874 874 ALA HA H 874 4.037 4.037 3.748 0.289 19955 15387 1 20 . 1 1 874 874 ALA C C 874 178.259 178.259 177.332 0.927 19955 15388 1 20 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.100 1.237 19955 15389 1 20 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.285 1.994 19955 15390 1 20 . 1 1 874 874 ALA H H 874 8.608 8.608 8.317 0.291 19955 15391 1 20 . 1 1 875 875 LYS N N 875 127.308 127.308 124.410 2.898 19955 15392 1 20 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.923 0.101 19955 15393 1 20 . 1 1 875 875 LYS C C 875 174.098 174.098 175.733 -1.635 19955 15394 1 20 . 1 1 875 875 LYS CA C 875 57.099 57.099 57.899 -0.800 19955 15395 1 20 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.953 1.031 19955 15396 1 20 . 1 1 875 875 LYS H H 875 9.298 9.298 8.312 0.986 19955 15397 1 20 . 1 1 876 876 PHE N N 876 113.423 113.423 116.128 -2.705 19955 15398 1 20 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.748 0.163 19955 15399 1 20 . 1 1 876 876 PHE C C 876 174.050 174.050 173.934 0.116 19955 15400 1 20 . 1 1 876 876 PHE CA C 876 53.845 53.845 55.885 -2.040 19955 15401 1 20 . 1 1 876 876 PHE CB C 876 43.742 43.742 42.311 1.431 19955 15402 1 20 . 1 1 876 876 PHE H H 876 7.328 7.328 7.502 -0.174 19955 15403 1 20 . 1 1 877 877 ASN N N 877 116.437 116.437 120.026 -3.589 19955 15404 1 20 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.663 0.126 19955 15405 1 20 . 1 1 877 877 ASN C C 877 174.454 174.454 174.236 0.218 19955 15406 1 20 . 1 1 877 877 ASN CA C 877 53.535 53.535 53.734 -0.199 19955 15407 1 20 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.286 -0.079 19955 15408 1 20 . 1 1 877 877 ASN H H 877 8.666 8.666 8.664 0.002 19955 15409 1 20 . 1 1 878 878 PHE N N 878 123.179 123.179 126.756 -3.577 19955 15410 1 20 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.575 0.090 19955 15411 1 20 . 1 1 878 878 PHE C C 878 173.027 173.027 173.347 -0.320 19955 15412 1 20 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.836 -0.732 19955 15413 1 20 . 1 1 878 878 PHE CB C 878 42.086 42.086 41.778 0.308 19955 15414 1 20 . 1 1 878 878 PHE H H 878 8.433 8.433 8.183 0.250 19955 15415 1 20 . 1 1 879 879 ASN N N 879 127.113 127.113 125.284 1.829 19955 15416 1 20 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.612 -0.050 19955 15417 1 20 . 1 1 879 879 ASN C C 879 173.174 173.174 174.294 -1.120 19955 15418 1 20 . 1 1 879 879 ASN CA C 879 50.930 50.930 50.959 -0.029 19955 15419 1 20 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.063 0.324 19955 15420 1 20 . 1 1 879 879 ASN H H 879 8.000 8.000 8.142 -0.142 19955 15421 1 20 . 1 1 880 880 GLY N N 880 110.949 110.949 110.186 0.763 19955 15422 1 20 . 1 1 880 880 GLY C C 880 173.383 173.383 174.468 -1.085 19955 15423 1 20 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.898 0.760 19955 15424 1 20 . 1 1 880 880 GLY H H 880 7.997 7.997 8.178 -0.181 19955 15425 1 20 . 1 1 881 881 ASP N N 881 122.408 122.408 120.685 1.723 19955 15426 1 20 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.776 -0.143 19955 15427 1 20 . 1 1 881 881 ASP C C 881 176.286 176.286 176.532 -0.246 19955 15428 1 20 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.604 0.592 19955 15429 1 20 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.511 1.629 19955 15430 1 20 . 1 1 881 881 ASP H H 881 8.796 8.796 8.542 0.254 19955 15431 1 20 . 1 1 882 882 THR N N 882 108.354 108.354 109.701 -1.347 19955 15432 1 20 . 1 1 882 882 THR HA H 882 4.583 4.583 4.672 -0.089 19955 15433 1 20 . 1 1 882 882 THR C C 882 175.948 175.948 174.474 1.474 19955 15434 1 20 . 1 1 882 882 THR CA C 882 60.352 60.352 59.400 0.952 19955 15435 1 20 . 1 1 882 882 THR CB C 882 71.649 71.649 71.861 -0.212 19955 15436 1 20 . 1 1 882 882 THR H H 882 7.541 7.541 7.093 0.448 19955 15437 1 20 . 1 1 883 883 GLN N N 883 118.622 118.622 119.676 -1.054 19955 15438 1 20 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.109 0.043 19955 15439 1 20 . 1 1 883 883 GLN C C 883 176.478 176.478 177.372 -0.894 19955 15440 1 20 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.441 -0.245 19955 15441 1 20 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.112 0.557 19955 15442 1 20 . 1 1 883 883 GLN H H 883 8.710 8.710 8.721 -0.011 19955 15443 1 20 . 1 1 884 884 VAL N N 884 111.473 111.473 116.100 -4.627 19955 15444 1 20 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.782 0.425 19955 15445 1 20 . 1 1 884 884 VAL C C 884 176.430 176.430 176.398 0.032 19955 15446 1 20 . 1 1 884 884 VAL CA C 884 62.293 62.293 65.023 -2.730 19955 15447 1 20 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.777 0.147 19955 15448 1 20 . 1 1 884 884 VAL H H 884 7.260 7.260 7.967 -0.707 19955 15449 1 20 . 1 1 885 885 GLU N N 885 121.794 121.794 118.279 3.515 19955 15450 1 20 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.798 0.110 19955 15451 1 20 . 1 1 885 885 GLU C C 885 175.369 175.369 175.974 -0.605 19955 15452 1 20 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.305 0.005 19955 15453 1 20 . 1 1 885 885 GLU CB C 885 31.789 31.789 29.667 2.122 19955 15454 1 20 . 1 1 885 885 GLU H H 885 7.455 7.455 7.607 -0.152 19955 15455 1 20 . 1 1 886 886 MET N N 886 125.473 125.473 125.806 -0.333 19955 15456 1 20 . 1 1 886 886 MET HA H 886 4.534 4.534 4.268 0.266 19955 15457 1 20 . 1 1 886 886 MET C C 886 172.841 172.841 174.475 -1.634 19955 15458 1 20 . 1 1 886 886 MET CA C 886 54.129 54.129 55.515 -1.386 19955 15459 1 20 . 1 1 886 886 MET CB C 886 35.157 35.157 34.028 1.129 19955 15460 1 20 . 1 1 886 886 MET H H 886 8.996 8.996 8.653 0.343 19955 15461 1 20 . 1 1 887 887 SER N N 887 118.425 118.425 117.472 0.953 19955 15462 1 20 . 1 1 887 887 SER HA H 887 4.402 4.402 4.418 -0.016 19955 15463 1 20 . 1 1 887 887 SER C C 887 174.667 174.667 172.601 2.066 19955 15464 1 20 . 1 1 887 887 SER CA C 887 58.612 58.612 56.907 1.705 19955 15465 1 20 . 1 1 887 887 SER CB C 887 64.186 64.186 65.150 -0.964 19955 15466 1 20 . 1 1 887 887 SER H H 887 7.888 7.888 7.981 -0.093 19955 15467 1 20 . 1 1 888 888 PHE N N 888 116.363 116.363 117.374 -1.011 19955 15468 1 20 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.841 -0.327 19955 15469 1 20 . 1 1 888 888 PHE C C 888 174.756 174.756 173.967 0.789 19955 15470 1 20 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.658 -0.122 19955 15471 1 20 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.435 -0.633 19955 15472 1 20 . 1 1 888 888 PHE H H 888 8.780 8.780 8.788 -0.008 19955 15473 1 20 . 1 1 889 889 ARG N N 889 121.944 121.944 119.342 2.602 19955 15474 1 20 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.700 0.272 19955 15475 1 20 . 1 1 889 889 ARG C C 889 175.318 175.318 175.618 -0.300 19955 15476 1 20 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.112 -0.814 19955 15477 1 20 . 1 1 889 889 ARG CB C 889 32.886 32.886 32.410 0.476 19955 15478 1 20 . 1 1 889 889 ARG H H 889 10.187 10.187 8.719 1.468 19955 15479 1 20 . 1 1 890 890 LYS N N 890 119.991 119.991 120.975 -0.984 19955 15480 1 20 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.890 -0.642 19955 15481 1 20 . 1 1 890 890 LYS C C 890 176.504 176.504 177.704 -1.200 19955 15482 1 20 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.509 -0.113 19955 15483 1 20 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.410 0.419 19955 15484 1 20 . 1 1 890 890 LYS H H 890 8.360 8.360 8.503 -0.143 19955 15485 1 20 . 1 1 891 891 GLY N N 891 113.950 113.950 114.916 -0.966 19955 15486 1 20 . 1 1 891 891 GLY C C 891 174.298 174.298 174.325 -0.027 19955 15487 1 20 . 1 1 891 891 GLY CA C 891 44.668 44.668 44.895 -0.228 19955 15488 1 20 . 1 1 891 891 GLY H H 891 8.673 8.673 8.710 -0.037 19955 15489 1 20 . 1 1 892 892 GLU N N 892 119.511 119.511 121.255 -1.744 19955 15490 1 20 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.340 -0.224 19955 15491 1 20 . 1 1 892 892 GLU C C 892 174.618 174.618 176.279 -1.661 19955 15492 1 20 . 1 1 892 892 GLU CA C 892 59.515 59.515 55.954 3.561 19955 15493 1 20 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.416 0.165 19955 15494 1 20 . 1 1 892 892 GLU H H 892 7.856 7.856 7.729 0.127 19955 15495 1 20 . 1 1 893 893 ARG N N 893 122.979 122.979 121.886 1.093 19955 15496 1 20 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.836 -0.239 19955 15497 1 20 . 1 1 893 893 ARG C C 893 174.836 174.836 176.197 -1.361 19955 15498 1 20 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.359 -0.831 19955 15499 1 20 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.349 -0.308 19955 15500 1 20 . 1 1 893 893 ARG H H 893 8.120 8.120 8.579 -0.459 19955 15501 1 20 . 1 1 894 894 ILE N N 894 122.659 122.659 123.454 -0.795 19955 15502 1 20 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.385 -0.322 19955 15503 1 20 . 1 1 894 894 ILE C C 894 175.789 175.789 174.365 1.424 19955 15504 1 20 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.259 0.007 19955 15505 1 20 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.553 0.873 19955 15506 1 20 . 1 1 894 894 ILE H H 894 8.586 8.586 8.954 -0.368 19955 15507 1 20 . 1 1 895 895 THR N N 895 124.709 124.709 121.742 2.967 19955 15508 1 20 . 1 1 895 895 THR HA H 895 4.441 4.441 4.947 -0.506 19955 15509 1 20 . 1 1 895 895 THR C C 895 174.124 174.124 174.283 -0.159 19955 15510 1 20 . 1 1 895 895 THR CA C 895 62.837 62.837 61.465 1.372 19955 15511 1 20 . 1 1 895 895 THR CB C 895 69.246 69.246 70.044 -0.798 19955 15512 1 20 . 1 1 895 895 THR H H 895 9.078 9.078 8.676 0.402 19955 15513 1 20 . 1 1 896 896 LEU N N 896 122.648 122.648 127.891 -5.243 19955 15514 1 20 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.426 -0.037 19955 15515 1 20 . 1 1 896 896 LEU C C 896 174.836 174.836 176.177 -1.341 19955 15516 1 20 . 1 1 896 896 LEU H H 896 8.583 8.583 8.193 0.390 19955 15517 1 20 . 1 1 897 897 LEU N N 897 124.502 124.502 125.164 -0.662 19955 15518 1 20 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.669 -0.337 19955 15519 1 20 . 1 1 897 897 LEU C C 897 176.645 176.645 177.324 -0.679 19955 15520 1 20 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.787 0.439 19955 15521 1 20 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.619 -1.288 19955 15522 1 20 . 1 1 897 897 LEU H H 897 8.984 8.984 8.763 0.221 19955 15523 1 20 . 1 1 898 898 ARG N N 898 108.422 108.422 117.457 -9.035 19955 15524 1 20 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.596 -0.154 19955 15525 1 20 . 1 1 898 898 ARG C C 898 173.645 173.645 174.053 -0.408 19955 15526 1 20 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.279 -0.037 19955 15527 1 20 . 1 1 898 898 ARG CB C 898 31.609 31.609 33.947 -2.338 19955 15528 1 20 . 1 1 898 898 ARG H H 898 7.413 7.413 7.646 -0.233 19955 15529 1 20 . 1 1 899 899 GLN N N 899 124.503 124.503 123.156 1.347 19955 15530 1 20 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.541 -0.349 19955 15531 1 20 . 1 1 899 899 GLN C C 899 175.142 175.142 175.553 -0.411 19955 15532 1 20 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.677 0.619 19955 15533 1 20 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.818 -1.329 19955 15534 1 20 . 1 1 899 899 GLN H H 899 9.301 9.301 8.786 0.515 19955 15535 1 20 . 1 1 900 900 VAL N N 900 129.109 129.109 127.531 1.578 19955 15536 1 20 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.821 -0.155 19955 15537 1 20 . 1 1 900 900 VAL C C 900 175.298 175.298 176.533 -1.235 19955 15538 1 20 . 1 1 900 900 VAL CA C 900 64.773 64.773 64.888 -0.115 19955 15539 1 20 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.181 0.640 19955 15540 1 20 . 1 1 900 900 VAL H H 900 8.475 8.475 8.628 -0.153 19955 15541 1 20 . 1 1 901 901 ASP N N 901 118.573 118.573 117.447 1.126 19955 15542 1 20 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.911 -0.515 19955 15543 1 20 . 1 1 901 901 ASP C C 901 175.386 175.386 175.967 -0.581 19955 15544 1 20 . 1 1 901 901 ASP CA C 901 53.300 53.300 54.575 -1.275 19955 15545 1 20 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.231 -2.068 19955 15546 1 20 . 1 1 901 901 ASP H H 901 8.038 8.038 7.743 0.295 19955 15547 1 20 . 1 1 902 902 GLU N N 902 114.492 114.492 117.963 -3.471 19955 15548 1 20 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.500 -0.668 19955 15549 1 20 . 1 1 902 902 GLU C C 902 175.973 175.973 176.054 -0.081 19955 15550 1 20 . 1 1 902 902 GLU CA C 902 59.095 59.095 57.123 1.972 19955 15551 1 20 . 1 1 902 902 GLU CB C 902 29.507 29.507 31.642 -2.135 19955 15552 1 20 . 1 1 902 902 GLU H H 902 8.784 8.784 8.330 0.454 19955 15553 1 20 . 1 1 903 903 ASN N N 903 113.835 113.835 117.155 -3.320 19955 15554 1 20 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.871 -0.007 19955 15555 1 20 . 1 1 903 903 ASN C C 903 175.238 175.238 173.236 2.002 19955 15556 1 20 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.681 1.119 19955 15557 1 20 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.034 3.176 19955 15558 1 20 . 1 1 903 903 ASN H H 903 8.763 8.763 8.548 0.215 19955 15559 1 20 . 1 1 904 904 TRP N N 904 121.517 121.517 119.137 2.380 19955 15560 1 20 . 1 1 904 904 TRP HA H 904 4.950 4.950 5.112 -0.162 19955 15561 1 20 . 1 1 904 904 TRP C C 904 175.223 175.223 175.182 0.041 19955 15562 1 20 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.471 0.708 19955 15563 1 20 . 1 1 904 904 TRP CB C 904 31.286 31.286 32.878 -1.592 19955 15564 1 20 . 1 1 904 904 TRP H H 904 8.141 8.141 7.707 0.434 19955 15565 1 20 . 1 1 905 905 TYR N N 905 121.365 121.365 116.222 5.143 19955 15566 1 20 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.248 -0.332 19955 15567 1 20 . 1 1 905 905 TYR C C 905 173.702 173.702 172.799 0.903 19955 15568 1 20 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.262 0.198 19955 15569 1 20 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.481 1.920 19955 15570 1 20 . 1 1 905 905 TYR H H 905 8.550 8.550 8.589 -0.039 19955 15571 1 20 . 1 1 906 906 GLU N N 906 117.356 117.356 121.313 -3.957 19955 15572 1 20 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.552 0.333 19955 15573 1 20 . 1 1 906 906 GLU C C 906 176.159 176.159 175.245 0.914 19955 15574 1 20 . 1 1 906 906 GLU CA C 906 54.795 54.795 54.233 0.562 19955 15575 1 20 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.118 -0.528 19955 15576 1 20 . 1 1 906 906 GLU H H 906 8.707 8.707 9.061 -0.354 19955 15577 1 20 . 1 1 907 907 GLY N N 907 114.506 114.506 111.784 2.722 19955 15578 1 20 . 1 1 907 907 GLY C C 907 169.408 169.408 171.858 -2.450 19955 15579 1 20 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.044 0.690 19955 15580 1 20 . 1 1 907 907 GLY H H 907 9.334 9.334 8.794 0.540 19955 15581 1 20 . 1 1 908 908 ARG N N 908 114.660 114.660 116.753 -2.093 19955 15582 1 20 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.338 0.039 19955 15583 1 20 . 1 1 908 908 ARG C C 908 173.981 173.981 174.722 -0.741 19955 15584 1 20 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.530 -0.253 19955 15585 1 20 . 1 1 908 908 ARG CB C 908 34.589 34.589 34.085 0.504 19955 15586 1 20 . 1 1 908 908 ARG H H 908 8.694 8.694 8.653 0.041 19955 15587 1 20 . 1 1 909 909 ILE N N 909 124.579 124.579 121.970 2.609 19955 15588 1 20 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.613 0.306 19955 15589 1 20 . 1 1 909 909 ILE C C 909 175.024 175.024 174.830 0.194 19955 15590 1 20 . 1 1 909 909 ILE CA C 909 56.699 56.699 57.359 -0.660 19955 15591 1 20 . 1 1 909 909 ILE CB C 909 35.387 35.387 37.320 -1.933 19955 15592 1 20 . 1 1 909 909 ILE H H 909 7.757 7.757 8.325 -0.568 19955 15593 1 20 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.223 0.406 19955 15594 1 20 . 1 1 910 910 PRO C C 910 176.353 176.353 177.574 -1.221 19955 15595 1 20 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.224 -11.425 19955 15596 1 20 . 1 1 910 910 PRO CB C 910 30.408 30.408 32.015 -1.607 19955 15597 1 20 . 1 1 911 911 GLY N N 911 118.118 118.118 111.063 7.055 19955 15598 1 20 . 1 1 911 911 GLY C C 911 173.987 173.987 174.298 -0.311 19955 15599 1 20 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.479 -0.147 19955 15600 1 20 . 1 1 911 911 GLY H H 911 7.869 7.869 8.573 -0.704 19955 15601 1 20 . 1 1 912 912 THR N N 912 109.041 109.041 111.583 -2.542 19955 15602 1 20 . 1 1 912 912 THR HA H 912 4.469 4.469 3.921 0.548 19955 15603 1 20 . 1 1 912 912 THR C C 912 174.144 174.144 175.064 -0.920 19955 15604 1 20 . 1 1 912 912 THR CA C 912 60.194 60.194 63.312 -3.118 19955 15605 1 20 . 1 1 912 912 THR CB C 912 72.812 72.812 67.477 5.335 19955 15606 1 20 . 1 1 912 912 THR H H 912 7.743 7.743 8.002 -0.259 19955 15607 1 20 . 1 1 913 913 SER N N 913 126.292 126.292 115.439 10.853 19955 15608 1 20 . 1 1 913 913 SER HA H 913 4.671 4.671 4.233 0.438 19955 15609 1 20 . 1 1 913 913 SER C C 913 174.781 174.781 174.805 -0.024 19955 15610 1 20 . 1 1 913 913 SER CA C 913 57.411 57.411 60.527 -3.116 19955 15611 1 20 . 1 1 913 913 SER CB C 913 63.258 63.258 63.857 -0.599 19955 15612 1 20 . 1 1 913 913 SER H H 913 7.896 7.896 8.261 -0.365 19955 15613 1 20 . 1 1 914 914 ARG N N 914 124.284 124.284 118.498 5.786 19955 15614 1 20 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.644 -0.391 19955 15615 1 20 . 1 1 914 914 ARG C C 914 174.712 174.712 173.565 1.147 19955 15616 1 20 . 1 1 914 914 ARG CA C 914 56.960 56.960 56.090 0.870 19955 15617 1 20 . 1 1 914 914 ARG CB C 914 30.694 30.694 33.635 -2.941 19955 15618 1 20 . 1 1 914 914 ARG H H 914 8.631 8.631 7.685 0.946 19955 15619 1 20 . 1 1 915 915 GLN N N 915 124.297 124.297 121.830 2.467 19955 15620 1 20 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.334 0.047 19955 15621 1 20 . 1 1 915 915 GLN C C 915 174.377 174.377 173.892 0.485 19955 15622 1 20 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.527 1.039 19955 15623 1 20 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.734 -1.728 19955 15624 1 20 . 1 1 915 915 GLN H H 915 8.054 8.054 8.652 -0.598 19955 15625 1 20 . 1 1 916 916 GLY N N 916 112.028 112.028 110.534 1.494 19955 15626 1 20 . 1 1 916 916 GLY C C 916 172.185 172.185 171.191 0.994 19955 15627 1 20 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.635 -0.388 19955 15628 1 20 . 1 1 916 916 GLY H H 916 8.818 8.818 8.912 -0.094 19955 15629 1 20 . 1 1 917 917 ILE N N 917 113.634 113.634 115.549 -1.915 19955 15630 1 20 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.414 1.614 19955 15631 1 20 . 1 1 917 917 ILE C C 917 176.584 176.584 173.422 3.162 19955 15632 1 20 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.203 1.776 19955 15633 1 20 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.608 0.617 19955 15634 1 20 . 1 1 917 917 ILE H H 917 8.714 8.714 7.479 1.235 19955 15635 1 20 . 1 1 918 918 PHE N N 918 115.806 115.806 118.822 -3.016 19955 15636 1 20 . 1 1 918 918 PHE C C 918 170.959 170.959 172.650 -1.691 19955 15637 1 20 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.004 0.615 19955 15638 1 20 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.021 -0.399 19955 15639 1 20 . 1 1 918 918 PHE H H 918 8.573 8.573 7.538 1.035 19955 15640 1 20 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.269 -0.169 19955 15641 1 20 . 1 1 919 919 PRO C C 919 178.655 178.655 177.828 0.827 19955 15642 1 20 . 1 1 919 919 PRO CA C 919 60.998 60.998 62.393 -1.395 19955 15643 1 20 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.587 -0.377 19955 15644 1 20 . 1 1 920 920 ILE N N 920 123.677 123.677 125.390 -1.713 19955 15645 1 20 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.794 -0.103 19955 15646 1 20 . 1 1 920 920 ILE C C 920 176.798 176.798 177.714 -0.916 19955 15647 1 20 . 1 1 920 920 ILE CA C 920 63.373 63.373 65.514 -2.141 19955 15648 1 20 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.689 1.162 19955 15649 1 20 . 1 1 920 920 ILE H H 920 7.949 7.949 8.315 -0.366 19955 15650 1 20 . 1 1 921 921 THR N N 921 106.993 106.993 113.570 -6.577 19955 15651 1 20 . 1 1 921 921 THR HA H 921 4.294 4.294 4.004 0.290 19955 15652 1 20 . 1 1 921 921 THR C C 921 175.639 175.639 175.610 0.029 19955 15653 1 20 . 1 1 921 921 THR CA C 921 62.983 62.983 65.149 -2.166 19955 15654 1 20 . 1 1 921 921 THR CB C 921 69.104 69.104 68.208 0.896 19955 15655 1 20 . 1 1 921 921 THR H H 921 7.500 7.500 8.454 -0.954 19955 15656 1 20 . 1 1 922 922 TYR N N 922 118.600 118.600 122.793 -4.193 19955 15657 1 20 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.884 -0.244 19955 15658 1 20 . 1 1 922 922 TYR C C 922 175.481 175.481 173.848 1.633 19955 15659 1 20 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.553 1.895 19955 15660 1 20 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.416 0.184 19955 15661 1 20 . 1 1 922 922 TYR H H 922 7.836 7.836 7.801 0.035 19955 15662 1 20 . 1 1 923 923 VAL N N 923 109.058 109.058 111.860 -2.802 19955 15663 1 20 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.344 0.615 19955 15664 1 20 . 1 1 923 923 VAL C C 923 172.905 172.905 174.075 -1.170 19955 15665 1 20 . 1 1 923 923 VAL CA C 923 58.490 58.490 58.842 -0.351 19955 15666 1 20 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.309 -0.022 19955 15667 1 20 . 1 1 923 923 VAL H H 923 7.701 7.701 7.260 0.441 19955 15668 1 20 . 1 1 924 924 ASP N N 924 120.115 120.115 122.155 -2.040 19955 15669 1 20 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.765 0.169 19955 15670 1 20 . 1 1 924 924 ASP C C 924 175.863 175.863 175.069 0.794 19955 15671 1 20 . 1 1 924 924 ASP CA C 924 52.934 52.934 51.983 0.950 19955 15672 1 20 . 1 1 924 924 ASP CB C 924 42.263 42.263 42.905 -0.642 19955 15673 1 20 . 1 1 924 924 ASP H H 924 8.658 8.658 8.496 0.162 19955 15674 1 20 . 1 1 925 925 VAL N N 925 125.090 125.090 127.231 -2.141 19955 15675 1 20 . 1 1 925 925 VAL HA H 925 3.679 3.679 3.933 -0.254 19955 15676 1 20 . 1 1 925 925 VAL C C 925 175.620 175.620 175.812 -0.192 19955 15677 1 20 . 1 1 925 925 VAL CA C 925 64.215 64.215 62.270 1.945 19955 15678 1 20 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.636 0.085 19955 15679 1 20 . 1 1 925 925 VAL H H 925 8.911 8.911 8.417 0.494 19955 15680 1 20 . 1 1 926 926 ILE N N 926 129.390 129.390 128.456 0.934 19955 15681 1 20 . 1 1 926 926 ILE HA H 926 4.037 4.037 3.818 0.219 19955 15682 1 20 . 1 1 926 926 ILE C C 926 175.683 175.683 176.381 -0.698 19955 15683 1 20 . 1 1 926 926 ILE CA C 926 61.578 61.578 62.921 -1.343 19955 15684 1 20 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.318 0.229 19955 15685 1 20 . 1 1 926 926 ILE H H 926 8.519 8.519 8.312 0.207 19955 15686 1 20 . 1 1 927 927 LYS N N 927 122.060 122.060 118.149 3.911 19955 15687 1 20 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.485 0.127 19955 15688 1 20 . 1 1 927 927 LYS C C 927 175.204 175.204 175.177 0.027 19955 15689 1 20 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.062 0.535 19955 15690 1 20 . 1 1 927 927 LYS CB C 927 35.633 35.633 35.378 0.255 19955 15691 1 20 . 1 1 927 927 LYS H H 927 8.017 8.017 7.415 0.602 19955 15692 1 20 . 1 1 928 928 ARG N N 928 126.441 126.441 123.479 2.962 19955 15693 1 20 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.344 0.083 19955 15694 1 20 . 1 1 928 928 ARG C C 928 173.959 173.959 175.983 -2.024 19955 15695 1 20 . 1 1 928 928 ARG CA C 928 55.488 55.488 55.263 0.225 19955 15696 1 20 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.526 0.187 19955 15697 1 20 . 1 1 928 928 ARG H H 928 8.729 8.729 8.642 0.087 19955 15698 1 20 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.380 0.133 19955 15699 1 20 . 1 1 929 929 PRO CA C 929 62.718 62.718 64.342 -1.624 19955 15700 1 20 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.007 -0.391 19955 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 129 3.442 -0.367 3.436 19955 2 1 1 "Average Difference" HA 147 0.401 0.061 0.397 19955 3 1 1 "Average Difference" C 137 1.094 0.012 1.098 19955 4 1 1 "Average Difference" CA 138 1.562 0.203 1.554 19955 5 1 1 "Average Difference" CB 127 1.333 0.019 1.338 19955 6 1 1 "Average Difference" HN 129 0.504 -0.103 0.495 19955 7 1 2 "Average Difference" N 129 3.341 -0.054 3.354 19955 8 1 2 "Average Difference" HA 147 0.371 0.031 0.371 19955 9 1 2 "Average Difference" C 137 0.991 0.003 0.995 19955 10 1 2 "Average Difference" CA 138 1.500 0.218 1.490 19955 11 1 2 "Average Difference" CB 127 1.253 -0.065 1.256 19955 12 1 2 "Average Difference" HN 129 0.496 -0.105 0.487 19955 13 1 3 "Average Difference" N 129 3.460 0.281 3.462 19955 14 1 3 "Average Difference" HA 147 0.340 0.054 0.337 19955 15 1 3 "Average Difference" C 137 0.993 0.026 0.996 19955 16 1 3 "Average Difference" CA 138 1.513 0.180 1.508 19955 17 1 3 "Average Difference" CB 127 1.319 0.057 1.323 19955 18 1 3 "Average Difference" HN 129 0.459 -0.076 0.454 19955 19 1 4 "Average Difference" N 129 3.583 -0.225 3.590 19955 20 1 4 "Average Difference" HA 147 0.356 0.021 0.356 19955 21 1 4 "Average Difference" C 137 1.075 -0.018 1.079 19955 22 1 4 "Average Difference" CA 138 1.535 0.265 1.517 19955 23 1 4 "Average Difference" CB 127 1.381 0.047 1.386 19955 24 1 4 "Average Difference" HN 129 0.520 -0.140 0.503 19955 25 1 5 "Average Difference" N 129 3.650 0.017 3.664 19955 26 1 5 "Average Difference" HA 147 0.357 0.043 0.356 19955 27 1 5 "Average Difference" C 137 1.020 0.008 1.024 19955 28 1 5 "Average Difference" CA 138 1.566 0.249 1.552 19955 29 1 5 "Average Difference" CB 127 1.386 -0.050 1.390 19955 30 1 5 "Average Difference" HN 129 0.484 -0.122 0.470 19955 31 1 6 "Average Difference" N 129 3.168 -0.209 3.174 19955 32 1 6 "Average Difference" HA 147 0.396 0.057 0.393 19955 33 1 6 "Average Difference" C 137 1.054 -0.009 1.057 19955 34 1 6 "Average Difference" CA 138 1.530 0.211 1.521 19955 35 1 6 "Average Difference" CB 127 1.269 0.047 1.273 19955 36 1 6 "Average Difference" HN 129 0.506 -0.109 0.496 19955 37 1 7 "Average Difference" N 129 3.195 -0.143 3.204 19955 38 1 7 "Average Difference" HA 147 0.350 0.038 0.349 19955 39 1 7 "Average Difference" C 137 0.985 0.029 0.988 19955 40 1 7 "Average Difference" CA 138 1.503 0.252 1.487 19955 41 1 7 "Average Difference" CB 127 1.349 0.003 1.354 19955 42 1 7 "Average Difference" HN 129 0.488 -0.092 0.481 19955 43 1 8 "Average Difference" N 129 3.357 -0.072 3.369 19955 44 1 8 "Average Difference" HA 147 0.362 0.026 0.362 19955 45 1 8 "Average Difference" C 137 1.121 0.037 1.124 19955 46 1 8 "Average Difference" CA 138 1.556 0.236 1.544 19955 47 1 8 "Average Difference" CB 127 1.368 -0.071 1.371 19955 48 1 8 "Average Difference" HN 129 0.528 -0.151 0.508 19955 49 1 9 "Average Difference" N 129 3.367 -0.277 3.368 19955 50 1 9 "Average Difference" HA 147 0.383 0.031 0.383 19955 51 1 9 "Average Difference" C 137 1.043 0.017 1.047 19955 52 1 9 "Average Difference" CA 138 1.558 0.183 1.552 19955 53 1 9 "Average Difference" CB 127 1.323 -0.005 1.329 19955 54 1 9 "Average Difference" HN 129 0.505 -0.101 0.497 19955 55 1 10 "Average Difference" N 129 3.161 0.086 3.172 19955 56 1 10 "Average Difference" HA 147 0.364 0.042 0.363 19955 57 1 10 "Average Difference" C 137 1.040 -0.012 1.044 19955 58 1 10 "Average Difference" CA 138 1.443 0.173 1.438 19955 59 1 10 "Average Difference" CB 127 1.298 0.016 1.303 19955 60 1 10 "Average Difference" HN 129 0.483 -0.111 0.472 19955 61 1 11 "Average Difference" N 129 3.068 -0.287 3.066 19955 62 1 11 "Average Difference" HA 147 0.355 0.044 0.354 19955 63 1 11 "Average Difference" C 137 1.020 0.048 1.022 19955 64 1 11 "Average Difference" CA 138 1.615 0.244 1.602 19955 65 1 11 "Average Difference" CB 127 1.316 -0.044 1.320 19955 66 1 11 "Average Difference" HN 129 0.476 -0.113 0.464 19955 67 1 12 "Average Difference" N 129 3.409 -0.292 3.410 19955 68 1 12 "Average Difference" HA 147 0.364 0.030 0.364 19955 69 1 12 "Average Difference" C 137 1.010 0.061 1.012 19955 70 1 12 "Average Difference" CA 138 1.493 0.171 1.489 19955 71 1 12 "Average Difference" CB 127 1.344 -0.077 1.347 19955 72 1 12 "Average Difference" HN 129 0.488 -0.105 0.479 19955 73 1 13 "Average Difference" N 129 3.021 0.605 2.971 19955 74 1 13 "Average Difference" HA 147 0.368 0.058 0.364 19955 75 1 13 "Average Difference" C 137 1.087 -0.013 1.091 19955 76 1 13 "Average Difference" CA 138 1.434 0.135 1.433 19955 77 1 13 "Average Difference" CB 127 1.337 -0.014 1.342 19955 78 1 13 "Average Difference" HN 129 0.527 -0.092 0.521 19955 79 1 14 "Average Difference" N 129 3.138 0.105 3.148 19955 80 1 14 "Average Difference" HA 147 0.366 0.047 0.364 19955 81 1 14 "Average Difference" C 137 1.087 -0.030 1.091 19955 82 1 14 "Average Difference" CA 138 1.536 0.141 1.535 19955 83 1 14 "Average Difference" CB 127 1.333 -0.012 1.339 19955 84 1 14 "Average Difference" HN 129 0.495 -0.118 0.483 19955 85 1 15 "Average Difference" N 129 3.381 0.091 3.393 19955 86 1 15 "Average Difference" HA 147 0.377 0.058 0.373 19955 87 1 15 "Average Difference" C 137 1.120 0.038 1.123 19955 88 1 15 "Average Difference" CA 138 1.512 0.248 1.497 19955 89 1 15 "Average Difference" CB 127 1.470 0.130 1.470 19955 90 1 15 "Average Difference" HN 129 0.510 -0.101 0.501 19955 91 1 16 "Average Difference" N 129 3.282 -0.025 3.294 19955 92 1 16 "Average Difference" HA 147 0.395 0.056 0.392 19955 93 1 16 "Average Difference" C 137 1.127 0.037 1.131 19955 94 1 16 "Average Difference" CA 138 1.503 0.188 1.497 19955 95 1 16 "Average Difference" CB 127 1.356 0.011 1.361 19955 96 1 16 "Average Difference" HN 129 0.497 -0.102 0.488 19955 97 1 17 "Average Difference" N 129 3.225 -0.114 3.235 19955 98 1 17 "Average Difference" HA 147 0.370 0.045 0.369 19955 99 1 17 "Average Difference" C 137 1.036 0.007 1.040 19955 100 1 17 "Average Difference" CA 138 1.509 0.234 1.496 19955 101 1 17 "Average Difference" CB 127 1.313 -0.056 1.317 19955 102 1 17 "Average Difference" HN 129 0.485 -0.111 0.474 19955 103 1 18 "Average Difference" N 129 2.978 0.097 2.988 19955 104 1 18 "Average Difference" HA 147 0.365 0.045 0.363 19955 105 1 18 "Average Difference" C 137 1.068 0.044 1.071 19955 106 1 18 "Average Difference" CA 138 1.425 0.191 1.418 19955 107 1 18 "Average Difference" CB 127 1.131 -0.040 1.135 19955 108 1 18 "Average Difference" HN 129 0.485 -0.088 0.479 19955 109 1 19 "Average Difference" N 129 3.186 -0.220 3.191 19955 110 1 19 "Average Difference" HA 147 0.363 0.047 0.361 19955 111 1 19 "Average Difference" C 137 1.108 0.080 1.110 19955 112 1 19 "Average Difference" CA 138 1.509 0.216 1.499 19955 113 1 19 "Average Difference" CB 127 1.265 -0.065 1.268 19955 114 1 19 "Average Difference" HN 129 0.476 -0.105 0.465 19955 115 1 20 "Average Difference" N 129 3.192 0.183 3.199 19955 116 1 20 "Average Difference" HA 147 0.363 0.008 0.364 19955 117 1 20 "Average Difference" C 137 1.017 0.117 1.014 19955 118 1 20 "Average Difference" CA 138 1.497 0.302 1.472 19955 119 1 20 "Average Difference" CB 127 1.312 -0.113 1.313 19955 120 1 20 "Average Difference" HN 129 0.498 -0.117 0.486 19955 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 19955 _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 1 790 790 MET HA H 790 4.396 4.396 4.395 0.001 19955 2 1 . 1 1 790 790 MET CA C 790 55.378 55.378 55.747 -0.369 19955 3 1 . 1 1 790 790 MET CB C 790 32.960 32.960 32.975 -0.016 19955 4 1 . 1 1 791 791 SER N N 791 118.373 118.373 116.168 2.205 19955 5 1 . 1 1 791 791 SER HA H 791 4.362 4.362 4.470 -0.108 19955 6 1 . 1 1 791 791 SER C C 791 175.043 175.043 174.770 0.273 19955 7 1 . 1 1 791 791 SER CA C 791 58.532 58.532 58.475 0.057 19955 8 1 . 1 1 791 791 SER CB C 791 63.749 63.749 64.044 -0.295 19955 9 1 . 1 1 791 791 SER H H 791 8.657 8.657 8.244 0.413 19955 10 1 . 1 1 792 792 GLY N N 792 111.254 111.254 110.604 0.650 19955 11 1 . 1 1 792 792 GLY C C 792 174.362 174.362 174.273 0.089 19955 12 1 . 1 1 792 792 GLY CA C 792 45.539 45.539 45.261 0.279 19955 13 1 . 1 1 792 792 GLY H H 792 8.560 8.560 8.427 0.133 19955 14 1 . 1 1 793 793 SER N N 793 115.369 115.369 115.768 -0.399 19955 15 1 . 1 1 793 793 SER HA H 793 4.409 4.409 4.488 -0.079 19955 16 1 . 1 1 793 793 SER C C 793 174.396 174.396 174.133 0.263 19955 17 1 . 1 1 793 793 SER CA C 793 58.485 58.485 58.737 -0.251 19955 18 1 . 1 1 793 793 SER CB C 793 63.845 63.845 64.111 -0.266 19955 19 1 . 1 1 793 793 SER H H 793 8.102 8.102 8.080 0.022 19955 20 1 . 1 1 794 794 GLU N N 794 122.660 122.660 122.325 0.335 19955 21 1 . 1 1 794 794 GLU HA H 794 4.210 4.210 4.502 -0.292 19955 22 1 . 1 1 794 794 GLU C C 794 175.970 175.970 175.696 0.274 19955 23 1 . 1 1 794 794 GLU CA C 794 56.849 56.849 56.463 0.386 19955 24 1 . 1 1 794 794 GLU CB C 794 30.261 30.261 30.827 -0.566 19955 25 1 . 1 1 794 794 GLU H H 794 8.565 8.565 8.482 0.083 19955 26 1 . 1 1 795 795 MET N N 795 119.544 119.544 118.983 0.561 19955 27 1 . 1 1 795 795 MET HA H 795 4.653 4.653 5.124 -0.471 19955 28 1 . 1 1 795 795 MET C C 795 175.590 175.590 175.701 -0.111 19955 29 1 . 1 1 795 795 MET CA C 795 55.135 55.135 55.014 0.121 19955 30 1 . 1 1 795 795 MET CB C 795 32.378 32.378 35.416 -3.038 19955 31 1 . 1 1 795 795 MET H H 795 8.156 8.156 8.299 -0.143 19955 32 1 . 1 1 796 796 ARG N N 796 122.177 122.177 120.459 1.718 19955 33 1 . 1 1 796 796 ARG HA H 796 4.911 4.911 4.976 -0.065 19955 34 1 . 1 1 796 796 ARG C C 796 173.378 173.378 173.900 -0.522 19955 35 1 . 1 1 796 796 ARG CA C 796 52.935 52.935 53.257 -0.322 19955 36 1 . 1 1 796 796 ARG CB C 796 32.172 32.172 32.336 -0.164 19955 37 1 . 1 1 796 796 ARG H H 796 8.358 8.358 8.534 -0.176 19955 38 1 . 1 1 797 797 PRO HA H 797 4.696 4.696 4.367 0.329 19955 39 1 . 1 1 797 797 PRO C C 797 175.805 175.805 175.361 0.444 19955 40 1 . 1 1 797 797 PRO CA C 797 62.157 62.157 62.567 -0.410 19955 41 1 . 1 1 797 797 PRO CB C 797 32.377 32.377 32.090 0.287 19955 42 1 . 1 1 798 798 ALA N N 798 123.383 123.383 124.573 -1.190 19955 43 1 . 1 1 798 798 ALA HA H 798 4.699 4.699 4.959 -0.260 19955 44 1 . 1 1 798 798 ALA C C 798 173.534 173.534 175.105 -1.571 19955 45 1 . 1 1 798 798 ALA CA C 798 50.823 50.823 50.206 0.617 19955 46 1 . 1 1 798 798 ALA CB C 798 23.723 23.723 23.193 0.530 19955 47 1 . 1 1 798 798 ALA H H 798 8.820 8.820 8.722 0.098 19955 48 1 . 1 1 799 799 ARG N N 799 118.968 118.968 121.468 -2.500 19955 49 1 . 1 1 799 799 ARG HA H 799 5.341 5.341 4.851 0.490 19955 50 1 . 1 1 799 799 ARG C C 799 176.215 176.215 174.858 1.357 19955 51 1 . 1 1 799 799 ARG CA C 799 53.122 53.122 54.083 -0.960 19955 52 1 . 1 1 799 799 ARG CB C 799 34.439 34.439 33.927 0.512 19955 53 1 . 1 1 799 799 ARG H H 799 8.803 8.803 8.207 0.596 19955 54 1 . 1 1 800 800 ALA N N 800 128.073 128.073 129.583 -1.510 19955 55 1 . 1 1 800 800 ALA HA H 800 4.537 4.537 4.564 -0.027 19955 56 1 . 1 1 800 800 ALA C C 800 178.146 178.146 176.854 1.292 19955 57 1 . 1 1 800 800 ALA CA C 800 52.208 52.208 51.617 0.591 19955 58 1 . 1 1 800 800 ALA CB C 800 18.654 18.654 19.549 -0.895 19955 59 1 . 1 1 800 800 ALA H H 800 9.037 9.037 8.778 0.259 19955 60 1 . 1 1 801 801 LYS N N 801 127.334 127.334 125.195 2.139 19955 61 1 . 1 1 801 801 LYS HA H 801 3.758 3.758 4.036 -0.278 19955 62 1 . 1 1 801 801 LYS C C 801 174.213 174.213 175.823 -1.610 19955 63 1 . 1 1 801 801 LYS CA C 801 57.344 57.344 57.858 -0.514 19955 64 1 . 1 1 801 801 LYS CB C 801 33.647 33.647 33.277 0.370 19955 65 1 . 1 1 801 801 LYS H H 801 9.291 9.291 8.502 0.789 19955 66 1 . 1 1 802 802 PHE N N 802 111.696 111.696 116.014 -4.318 19955 67 1 . 1 1 802 802 PHE HA H 802 4.741 4.741 4.633 0.108 19955 68 1 . 1 1 802 802 PHE C C 802 173.408 173.408 174.171 -0.763 19955 69 1 . 1 1 802 802 PHE CA C 802 53.369 53.369 56.483 -3.114 19955 70 1 . 1 1 802 802 PHE CB C 802 43.242 43.242 42.463 0.779 19955 71 1 . 1 1 802 802 PHE H H 802 7.069 7.069 7.548 -0.479 19955 72 1 . 1 1 803 803 ASP N N 803 117.498 117.498 120.640 -3.142 19955 73 1 . 1 1 803 803 ASP HA H 803 4.524 4.524 4.806 -0.282 19955 74 1 . 1 1 803 803 ASP C C 803 175.782 175.782 175.002 0.780 19955 75 1 . 1 1 803 803 ASP CA C 803 54.726 54.726 53.752 0.974 19955 76 1 . 1 1 803 803 ASP CB C 803 41.154 41.154 41.331 -0.177 19955 77 1 . 1 1 803 803 ASP H H 803 8.339 8.339 8.514 -0.175 19955 78 1 . 1 1 804 804 PHE N N 804 123.264 123.264 123.348 -0.084 19955 79 1 . 1 1 804 804 PHE HA H 804 4.992 4.992 4.753 0.239 19955 80 1 . 1 1 804 804 PHE C C 804 173.750 173.750 173.884 -0.134 19955 81 1 . 1 1 804 804 PHE CA C 804 56.221 56.221 56.654 -0.433 19955 82 1 . 1 1 804 804 PHE CB C 804 42.132 42.132 42.656 -0.524 19955 83 1 . 1 1 804 804 PHE H H 804 9.223 9.223 8.975 0.248 19955 84 1 . 1 1 805 805 LYS N N 805 129.548 129.548 128.031 1.518 19955 85 1 . 1 1 805 805 LYS HA H 805 4.121 4.121 4.298 -0.177 19955 86 1 . 1 1 805 805 LYS C C 805 174.042 174.042 174.584 -0.542 19955 87 1 . 1 1 805 805 LYS CA C 805 54.368 54.368 54.761 -0.393 19955 88 1 . 1 1 805 805 LYS CB C 805 31.781 31.781 33.344 -1.563 19955 89 1 . 1 1 805 805 LYS H H 805 8.125 8.125 8.123 0.002 19955 90 1 . 1 1 806 806 ALA N N 806 127.231 127.231 127.070 0.161 19955 91 1 . 1 1 806 806 ALA HA H 806 3.882 3.882 4.075 -0.193 19955 92 1 . 1 1 806 806 ALA C C 806 178.066 178.066 177.341 0.725 19955 93 1 . 1 1 806 806 ALA CA C 806 51.598 51.598 52.379 -0.781 19955 94 1 . 1 1 806 806 ALA CB C 806 20.505 20.505 19.252 1.253 19955 95 1 . 1 1 806 806 ALA H H 806 7.291 7.291 8.278 -0.987 19955 96 1 . 1 1 807 807 GLN N N 807 121.482 121.482 121.562 -0.080 19955 97 1 . 1 1 807 807 GLN HA H 807 4.326 4.326 4.313 0.013 19955 98 1 . 1 1 807 807 GLN C C 807 175.927 175.927 175.955 -0.028 19955 99 1 . 1 1 807 807 GLN CA C 807 56.206 56.206 56.740 -0.534 19955 100 1 . 1 1 807 807 GLN CB C 807 30.942 30.942 29.750 1.192 19955 101 1 . 1 1 807 807 GLN H H 807 9.375 9.375 9.087 0.288 19955 102 1 . 1 1 808 808 THR N N 808 108.842 108.842 110.147 -1.305 19955 103 1 . 1 1 808 808 THR HA H 808 4.661 4.661 4.570 0.091 19955 104 1 . 1 1 808 808 THR C C 808 175.262 175.262 174.648 0.614 19955 105 1 . 1 1 808 808 THR CA C 808 59.313 59.313 60.033 -0.720 19955 106 1 . 1 1 808 808 THR CB C 808 71.810 71.810 71.392 0.418 19955 107 1 . 1 1 808 808 THR H H 808 7.472 7.472 7.554 -0.082 19955 108 1 . 1 1 809 809 LEU N N 809 119.518 119.518 120.377 -0.859 19955 109 1 . 1 1 809 809 LEU HA H 809 4.200 4.200 4.096 0.104 19955 110 1 . 1 1 809 809 LEU C C 809 177.895 177.895 177.591 0.304 19955 111 1 . 1 1 809 809 LEU CA C 809 57.087 57.087 57.398 -0.311 19955 112 1 . 1 1 809 809 LEU CB C 809 41.901 41.901 41.747 0.154 19955 113 1 . 1 1 809 809 LEU H H 809 8.387 8.387 8.466 -0.079 19955 114 1 . 1 1 810 810 LYS N N 810 115.587 115.587 116.795 -1.208 19955 115 1 . 1 1 810 810 LYS HA H 810 4.230 4.230 4.053 0.177 19955 116 1 . 1 1 810 810 LYS C C 810 177.172 177.172 176.845 0.327 19955 117 1 . 1 1 810 810 LYS CA C 810 56.807 56.807 57.890 -1.083 19955 118 1 . 1 1 810 810 LYS CB C 810 33.059 33.059 32.516 0.543 19955 119 1 . 1 1 810 810 LYS H H 810 7.707 7.707 8.011 -0.304 19955 120 1 . 1 1 811 811 GLU N N 811 119.522 119.522 117.622 1.900 19955 121 1 . 1 1 811 811 GLU HA H 811 4.699 4.699 4.323 0.376 19955 122 1 . 1 1 811 811 GLU C C 811 174.240 174.240 175.403 -1.163 19955 123 1 . 1 1 811 811 GLU CA C 811 55.419 55.419 56.153 -0.734 19955 124 1 . 1 1 811 811 GLU CB C 811 32.354 32.354 30.569 1.785 19955 125 1 . 1 1 811 811 GLU H H 811 7.244 7.244 7.537 -0.293 19955 126 1 . 1 1 812 812 LEU N N 812 126.910 126.910 122.506 4.404 19955 127 1 . 1 1 812 812 LEU C C 812 172.269 172.269 174.973 -2.704 19955 128 1 . 1 1 812 812 LEU CA C 812 50.511 50.511 51.272 -0.761 19955 129 1 . 1 1 812 812 LEU CB C 812 45.092 45.092 43.127 1.965 19955 130 1 . 1 1 812 812 LEU H H 812 9.168 9.168 8.142 1.026 19955 131 1 . 1 1 813 813 PRO HA H 813 4.437 4.437 4.734 -0.297 19955 132 1 . 1 1 813 813 PRO C C 813 176.755 176.755 175.512 1.243 19955 133 1 . 1 1 813 813 PRO CA C 813 62.546 62.546 62.521 0.025 19955 134 1 . 1 1 813 813 PRO CB C 813 31.975 31.975 32.632 -0.657 19955 135 1 . 1 1 814 814 LEU N N 814 118.726 118.726 122.226 -3.500 19955 136 1 . 1 1 814 814 LEU HA H 814 4.646 4.646 4.657 -0.011 19955 137 1 . 1 1 814 814 LEU C C 814 176.452 176.452 175.445 1.007 19955 138 1 . 1 1 814 814 LEU CA C 814 53.391 53.391 53.713 -0.322 19955 139 1 . 1 1 814 814 LEU CB C 814 46.896 46.896 46.403 0.494 19955 140 1 . 1 1 814 814 LEU H H 814 8.532 8.532 8.805 -0.273 19955 141 1 . 1 1 815 815 GLN N N 815 123.473 123.473 121.031 2.442 19955 142 1 . 1 1 815 815 GLN HA H 815 4.751 4.751 4.641 0.110 19955 143 1 . 1 1 815 815 GLN C C 815 174.820 174.820 174.856 -0.036 19955 144 1 . 1 1 815 815 GLN CA C 815 53.336 53.336 53.729 -0.393 19955 145 1 . 1 1 815 815 GLN CB C 815 31.094 31.094 31.725 -0.631 19955 146 1 . 1 1 815 815 GLN H H 815 8.938 8.938 8.577 0.361 19955 147 1 . 1 1 816 816 LYS N N 816 122.982 122.982 125.644 -2.662 19955 148 1 . 1 1 816 816 LYS HA H 816 3.115 3.115 3.837 -0.722 19955 149 1 . 1 1 816 816 LYS C C 816 177.030 177.030 177.056 -0.026 19955 150 1 . 1 1 816 816 LYS CA C 816 58.676 58.676 57.949 0.727 19955 151 1 . 1 1 816 816 LYS CB C 816 32.242 32.242 31.526 0.716 19955 152 1 . 1 1 816 816 LYS H H 816 8.888 8.888 8.962 -0.074 19955 153 1 . 1 1 817 817 GLY N N 817 115.370 115.370 113.894 1.476 19955 154 1 . 1 1 817 817 GLY C C 817 174.271 174.271 174.264 0.007 19955 155 1 . 1 1 817 817 GLY CA C 817 44.661 44.661 44.633 0.028 19955 156 1 . 1 1 817 817 GLY H H 817 8.870 8.870 8.812 0.058 19955 157 1 . 1 1 818 818 ASP N N 818 123.102 123.102 122.243 0.859 19955 158 1 . 1 1 818 818 ASP HA H 818 4.329 4.329 4.627 -0.298 19955 159 1 . 1 1 818 818 ASP C C 818 175.076 175.076 175.730 -0.654 19955 160 1 . 1 1 818 818 ASP CA C 818 55.595 55.595 54.190 1.405 19955 161 1 . 1 1 818 818 ASP CB C 818 41.538 41.538 41.867 -0.329 19955 162 1 . 1 1 818 818 ASP H H 818 8.468 8.468 8.185 0.283 19955 163 1 . 1 1 819 819 ILE N N 819 121.053 121.053 124.096 -3.043 19955 164 1 . 1 1 819 819 ILE HA H 819 4.820 4.820 4.578 0.242 19955 165 1 . 1 1 819 819 ILE C C 819 175.630 175.630 175.653 -0.023 19955 166 1 . 1 1 819 819 ILE CA C 819 58.602 58.602 59.233 -0.631 19955 167 1 . 1 1 819 819 ILE CB C 819 36.541 36.541 37.549 -1.008 19955 168 1 . 1 1 819 819 ILE H H 819 8.286 8.286 8.213 0.073 19955 169 1 . 1 1 820 820 VAL N N 820 124.554 124.554 120.904 3.650 19955 170 1 . 1 1 820 820 VAL HA H 820 4.679 4.679 4.981 -0.302 19955 171 1 . 1 1 820 820 VAL C C 820 172.751 172.751 173.930 -1.179 19955 172 1 . 1 1 820 820 VAL CA C 820 57.861 57.861 58.876 -1.014 19955 173 1 . 1 1 820 820 VAL CB C 820 34.372 34.372 35.128 -0.756 19955 174 1 . 1 1 820 820 VAL H H 820 8.717 8.717 8.683 0.034 19955 175 1 . 1 1 821 821 TYR N N 821 120.296 120.296 121.895 -1.599 19955 176 1 . 1 1 821 821 TYR HA H 821 4.803 4.803 4.961 -0.158 19955 177 1 . 1 1 821 821 TYR C C 821 175.760 175.760 175.874 -0.114 19955 178 1 . 1 1 821 821 TYR CA C 821 56.838 56.838 56.538 0.300 19955 179 1 . 1 1 821 821 TYR CB C 821 40.132 40.132 39.905 0.227 19955 180 1 . 1 1 821 821 TYR H H 821 8.360 8.360 8.464 -0.104 19955 181 1 . 1 1 822 822 ILE N N 822 123.440 123.440 124.218 -0.778 19955 182 1 . 1 1 822 822 ILE HA H 822 3.865 3.865 4.441 -0.576 19955 183 1 . 1 1 822 822 ILE C C 822 176.541 176.541 176.063 0.478 19955 184 1 . 1 1 822 822 ILE CA C 822 62.327 62.327 61.059 1.268 19955 185 1 . 1 1 822 822 ILE CB C 822 39.429 39.429 37.685 1.744 19955 186 1 . 1 1 822 822 ILE H H 822 8.991 8.991 8.386 0.605 19955 187 1 . 1 1 823 823 TYR N N 823 127.197 127.197 126.070 1.127 19955 188 1 . 1 1 823 823 TYR HA H 823 5.068 5.068 4.826 0.242 19955 189 1 . 1 1 823 823 TYR C C 823 176.327 176.327 175.262 1.065 19955 190 1 . 1 1 823 823 TYR CA C 823 56.331 56.331 57.564 -1.233 19955 191 1 . 1 1 823 823 TYR CB C 823 38.285 38.285 40.488 -2.203 19955 192 1 . 1 1 823 823 TYR H H 823 9.699 9.699 8.508 1.191 19955 193 1 . 1 1 824 824 LYS N N 824 113.691 113.691 118.176 -4.485 19955 194 1 . 1 1 824 824 LYS HA H 824 4.664 4.664 4.491 0.173 19955 195 1 . 1 1 824 824 LYS C C 824 174.044 174.044 173.907 0.137 19955 196 1 . 1 1 824 824 LYS CA C 824 55.301 55.301 55.506 -0.205 19955 197 1 . 1 1 824 824 LYS CB C 824 35.104 35.104 34.707 0.397 19955 198 1 . 1 1 824 824 LYS H H 824 7.904 7.904 7.385 0.519 19955 199 1 . 1 1 825 825 GLN N N 825 122.998 122.998 123.669 -0.671 19955 200 1 . 1 1 825 825 GLN HA H 825 4.614 4.614 4.169 0.445 19955 201 1 . 1 1 825 825 GLN C C 825 175.372 175.372 175.207 0.165 19955 202 1 . 1 1 825 825 GLN CA C 825 55.970 55.970 55.518 0.452 19955 203 1 . 1 1 825 825 GLN CB C 825 29.014 29.014 29.129 -0.115 19955 204 1 . 1 1 825 825 GLN H H 825 9.091 9.091 8.660 0.431 19955 205 1 . 1 1 826 826 ILE N N 826 126.911 126.911 126.576 0.335 19955 206 1 . 1 1 826 826 ILE HA H 826 3.950 3.950 4.027 -0.077 19955 207 1 . 1 1 826 826 ILE C C 826 175.447 175.447 176.534 -1.087 19955 208 1 . 1 1 826 826 ILE CA C 826 62.062 62.062 62.671 -0.609 19955 209 1 . 1 1 826 826 ILE CB C 826 38.179 38.179 38.336 -0.157 19955 210 1 . 1 1 826 826 ILE H H 826 8.356 8.356 8.410 -0.054 19955 211 1 . 1 1 827 827 ASP N N 827 118.575 118.575 116.471 2.104 19955 212 1 . 1 1 827 827 ASP HA H 827 4.419 4.419 4.881 -0.462 19955 213 1 . 1 1 827 827 ASP C C 827 175.673 175.673 175.699 -0.026 19955 214 1 . 1 1 827 827 ASP CA C 827 53.255 53.255 52.742 0.513 19955 215 1 . 1 1 827 827 ASP CB C 827 40.120 40.120 43.101 -2.981 19955 216 1 . 1 1 827 827 ASP H H 827 7.952 7.952 7.925 0.027 19955 217 1 . 1 1 828 828 GLN N N 828 113.633 113.633 118.298 -4.665 19955 218 1 . 1 1 828 828 GLN HA H 828 3.872 3.872 4.075 -0.203 19955 219 1 . 1 1 828 828 GLN C C 828 175.745 175.745 176.318 -0.573 19955 220 1 . 1 1 828 828 GLN CA C 828 58.261 58.261 58.774 -0.513 19955 221 1 . 1 1 828 828 GLN CB C 828 28.498 28.498 28.845 -0.347 19955 222 1 . 1 1 828 828 GLN H H 828 8.468 8.468 8.536 -0.068 19955 223 1 . 1 1 829 829 ASN N N 829 114.412 114.412 114.560 -0.148 19955 224 1 . 1 1 829 829 ASN HA H 829 4.742 4.742 4.763 -0.021 19955 225 1 . 1 1 829 829 ASN C C 829 175.652 175.652 173.793 1.859 19955 226 1 . 1 1 829 829 ASN CA C 829 53.641 53.641 52.847 0.794 19955 227 1 . 1 1 829 829 ASN CB C 829 41.815 41.815 39.123 2.692 19955 228 1 . 1 1 829 829 ASN H H 829 8.799 8.799 8.214 0.585 19955 229 1 . 1 1 830 830 TRP N N 830 121.661 121.661 119.160 2.501 19955 230 1 . 1 1 830 830 TRP HA H 830 4.810 4.810 4.957 -0.147 19955 231 1 . 1 1 830 830 TRP C C 830 175.077 175.077 175.174 -0.097 19955 232 1 . 1 1 830 830 TRP CA C 830 57.290 57.290 56.199 1.091 19955 233 1 . 1 1 830 830 TRP CB C 830 32.570 32.570 31.817 0.753 19955 234 1 . 1 1 830 830 TRP H H 830 8.033 8.033 7.505 0.528 19955 235 1 . 1 1 831 831 TYR N N 831 120.163 120.163 119.361 0.802 19955 236 1 . 1 1 831 831 TYR HA H 831 5.045 5.045 4.805 0.240 19955 237 1 . 1 1 831 831 TYR C C 831 173.672 173.672 173.132 0.540 19955 238 1 . 1 1 831 831 TYR CA C 831 56.372 56.372 56.783 -0.411 19955 239 1 . 1 1 831 831 TYR CB C 831 42.726 42.726 42.646 0.080 19955 240 1 . 1 1 831 831 TYR H H 831 8.721 8.721 8.884 -0.163 19955 241 1 . 1 1 832 832 GLU N N 832 117.935 117.935 120.713 -2.778 19955 242 1 . 1 1 832 832 GLU HA H 832 4.937 4.937 4.954 -0.017 19955 243 1 . 1 1 832 832 GLU C C 832 176.121 176.121 174.978 1.143 19955 244 1 . 1 1 832 832 GLU CA C 832 54.404 54.404 54.116 0.288 19955 245 1 . 1 1 832 832 GLU CB C 832 33.955 33.955 33.874 0.081 19955 246 1 . 1 1 832 832 GLU H H 832 8.696 8.696 8.233 0.463 19955 247 1 . 1 1 833 833 GLY N N 833 115.171 115.171 111.462 3.709 19955 248 1 . 1 1 833 833 GLY C C 833 168.962 168.962 172.038 -3.076 19955 249 1 . 1 1 833 833 GLY CA C 833 46.623 46.623 45.486 1.137 19955 250 1 . 1 1 833 833 GLY H H 833 9.063 9.063 8.248 0.815 19955 251 1 . 1 1 834 834 GLU N N 834 117.849 117.849 120.771 -2.922 19955 252 1 . 1 1 834 834 GLU HA H 834 5.689 5.689 5.629 0.060 19955 253 1 . 1 1 834 834 GLU C C 834 175.077 175.077 175.233 -0.156 19955 254 1 . 1 1 834 834 GLU CA C 834 53.966 53.966 54.450 -0.484 19955 255 1 . 1 1 834 834 GLU CB C 834 35.044 35.044 33.341 1.703 19955 256 1 . 1 1 834 834 GLU H H 834 8.708 8.708 8.814 -0.106 19955 257 1 . 1 1 835 835 HIS N N 835 120.973 120.973 124.931 -3.958 19955 258 1 . 1 1 835 835 HIS HA H 835 4.834 4.834 5.149 -0.315 19955 259 1 . 1 1 835 835 HIS C C 835 174.509 174.509 174.823 -0.314 19955 260 1 . 1 1 835 835 HIS CA C 835 56.249 56.249 55.642 0.607 19955 261 1 . 1 1 835 835 HIS CB C 835 33.211 33.211 32.782 0.429 19955 262 1 . 1 1 835 835 HIS H H 835 8.799 8.799 9.420 -0.621 19955 263 1 . 1 1 836 836 HIS N N 836 125.728 125.728 125.918 -0.190 19955 264 1 . 1 1 836 836 HIS HA H 836 4.166 4.166 4.066 0.099 19955 265 1 . 1 1 836 836 HIS C C 836 175.012 175.012 174.787 0.225 19955 266 1 . 1 1 836 836 HIS CA C 836 55.689 55.689 56.914 -1.225 19955 267 1 . 1 1 836 836 HIS CB C 836 27.994 27.994 28.629 -0.635 19955 268 1 . 1 1 836 836 HIS H H 836 9.163 9.163 9.235 -0.072 19955 269 1 . 1 1 837 837 GLY N N 837 104.909 104.909 103.794 1.115 19955 270 1 . 1 1 837 837 GLY C C 837 173.235 173.235 173.927 -0.692 19955 271 1 . 1 1 837 837 GLY CA C 837 45.654 45.654 45.216 0.438 19955 272 1 . 1 1 837 837 GLY H H 837 9.070 9.070 8.645 0.425 19955 273 1 . 1 1 838 838 ARG N N 838 122.925 122.925 119.522 3.403 19955 274 1 . 1 1 838 838 ARG HA H 838 4.593 4.593 4.770 -0.177 19955 275 1 . 1 1 838 838 ARG C C 838 173.682 173.682 174.374 -0.691 19955 276 1 . 1 1 838 838 ARG CA C 838 54.881 54.881 54.595 0.286 19955 277 1 . 1 1 838 838 ARG CB C 838 32.058 32.058 33.534 -1.476 19955 278 1 . 1 1 838 838 ARG H H 838 7.814 7.814 8.063 -0.249 19955 279 1 . 1 1 839 839 VAL N N 839 123.572 123.572 121.748 1.824 19955 280 1 . 1 1 839 839 VAL HA H 839 5.134 5.134 5.335 -0.201 19955 281 1 . 1 1 839 839 VAL C C 839 177.296 177.296 175.066 2.230 19955 282 1 . 1 1 839 839 VAL CA C 839 60.200 60.200 60.518 -0.318 19955 283 1 . 1 1 839 839 VAL CB C 839 33.994 33.994 34.633 -0.639 19955 284 1 . 1 1 839 839 VAL H H 839 8.360 8.360 8.550 -0.190 19955 285 1 . 1 1 840 840 GLY N N 840 114.006 114.006 114.139 -0.133 19955 286 1 . 1 1 840 840 GLY C C 840 171.246 171.246 171.670 -0.424 19955 287 1 . 1 1 840 840 GLY CA C 840 45.896 45.896 44.839 1.057 19955 288 1 . 1 1 840 840 GLY H H 840 8.951 8.951 8.216 0.735 19955 289 1 . 1 1 841 841 ILE N N 841 112.496 112.496 115.744 -3.248 19955 290 1 . 1 1 841 841 ILE HA H 841 5.881 5.881 4.805 1.076 19955 291 1 . 1 1 841 841 ILE C C 841 176.120 176.120 173.443 2.677 19955 292 1 . 1 1 841 841 ILE CA C 841 59.367 59.367 58.572 0.795 19955 293 1 . 1 1 841 841 ILE CB C 841 40.917 40.917 41.600 -0.683 19955 294 1 . 1 1 841 841 ILE H H 841 8.434 8.434 7.727 0.707 19955 295 1 . 1 1 842 842 PHE N N 842 116.289 116.289 117.487 -1.198 19955 296 1 . 1 1 842 842 PHE HA H 842 4.971 4.971 4.832 0.139 19955 297 1 . 1 1 842 842 PHE C C 842 171.777 171.777 172.659 -0.882 19955 298 1 . 1 1 842 842 PHE CA C 842 54.265 54.265 55.037 -0.772 19955 299 1 . 1 1 842 842 PHE CB C 842 37.515 37.515 39.981 -2.466 19955 300 1 . 1 1 842 842 PHE H H 842 8.408 8.408 8.235 0.173 19955 301 1 . 1 1 843 843 PRO HA H 843 3.934 3.934 4.589 -0.655 19955 302 1 . 1 1 843 843 PRO C C 843 178.228 178.228 178.021 0.207 19955 303 1 . 1 1 843 843 PRO CA C 843 61.613 61.613 62.438 -0.825 19955 304 1 . 1 1 843 843 PRO CB C 843 31.395 31.395 31.845 -0.450 19955 305 1 . 1 1 844 844 ARG N N 844 122.291 122.291 125.314 -3.023 19955 306 1 . 1 1 844 844 ARG HA H 844 3.944 3.944 4.026 -0.082 19955 307 1 . 1 1 844 844 ARG C C 844 178.171 178.171 177.725 0.446 19955 308 1 . 1 1 844 844 ARG CA C 844 58.618 58.618 59.480 -0.862 19955 309 1 . 1 1 844 844 ARG CB C 844 30.297 30.297 29.738 0.559 19955 310 1 . 1 1 844 844 ARG H H 844 7.906 7.906 8.435 -0.529 19955 311 1 . 1 1 845 845 THR N N 845 105.068 105.068 111.003 -5.935 19955 312 1 . 1 1 845 845 THR HA H 845 4.159 4.159 4.198 -0.039 19955 313 1 . 1 1 845 845 THR C C 845 175.363 175.363 175.055 0.308 19955 314 1 . 1 1 845 845 THR CA C 845 63.035 63.035 64.542 -1.507 19955 315 1 . 1 1 845 845 THR CB C 845 69.022 69.022 68.607 0.415 19955 316 1 . 1 1 845 845 THR H H 845 7.907 7.907 8.167 -0.260 19955 317 1 . 1 1 846 846 TYR N N 846 118.977 118.977 119.903 -0.926 19955 318 1 . 1 1 846 846 TYR HA H 846 4.535 4.535 4.730 -0.195 19955 319 1 . 1 1 846 846 TYR C C 846 174.917 174.917 174.395 0.522 19955 320 1 . 1 1 846 846 TYR CA C 846 58.751 58.751 58.672 0.079 19955 321 1 . 1 1 846 846 TYR CB C 846 38.055 38.055 39.754 -1.699 19955 322 1 . 1 1 846 846 TYR H H 846 7.611 7.611 8.117 -0.506 19955 323 1 . 1 1 847 847 ILE N N 847 113.230 113.230 112.814 0.416 19955 324 1 . 1 1 847 847 ILE HA H 847 5.099 5.099 5.094 0.005 19955 325 1 . 1 1 847 847 ILE C C 847 174.141 174.141 174.258 -0.117 19955 326 1 . 1 1 847 847 ILE CA C 847 57.454 57.454 58.291 -0.837 19955 327 1 . 1 1 847 847 ILE CB C 847 42.191 42.191 42.245 -0.054 19955 328 1 . 1 1 847 847 ILE H H 847 7.390 7.390 7.362 0.028 19955 329 1 . 1 1 848 848 GLU N N 848 121.909 121.909 119.703 2.206 19955 330 1 . 1 1 848 848 GLU HA H 848 4.548 4.548 4.584 -0.036 19955 331 1 . 1 1 848 848 GLU C C 848 175.193 175.193 175.118 0.075 19955 332 1 . 1 1 848 848 GLU CA C 848 53.664 53.664 54.298 -0.633 19955 333 1 . 1 1 848 848 GLU CB C 848 32.624 32.624 33.108 -0.483 19955 334 1 . 1 1 848 848 GLU H H 848 8.786 8.786 8.574 0.212 19955 335 1 . 1 1 849 849 LEU N N 849 126.431 126.431 125.926 0.505 19955 336 1 . 1 1 849 849 LEU HA H 849 4.091 4.091 4.271 -0.180 19955 337 1 . 1 1 849 849 LEU C C 849 177.019 177.019 176.347 0.672 19955 338 1 . 1 1 849 849 LEU CA C 849 55.667 55.667 54.426 1.241 19955 339 1 . 1 1 849 849 LEU CB C 849 41.542 41.542 42.286 -0.744 19955 340 1 . 1 1 849 849 LEU H H 849 8.730 8.730 8.559 0.171 19955 341 1 . 1 1 850 850 LEU N N 850 123.942 123.942 125.289 -1.347 19955 342 1 . 1 1 850 850 LEU HA H 850 4.562 4.562 4.058 0.504 19955 343 1 . 1 1 850 850 LEU C C 850 174.453 174.453 174.253 0.200 19955 344 1 . 1 1 850 850 LEU CA C 850 52.805 52.805 54.506 -1.701 19955 345 1 . 1 1 850 850 LEU CB C 850 40.963 40.963 41.120 -0.157 19955 346 1 . 1 1 850 850 LEU H H 850 7.846 7.846 8.395 -0.549 19955 347 1 . 1 1 852 852 PRO HA H 852 4.329 4.329 4.331 -0.002 19955 348 1 . 1 1 852 852 PRO C C 852 176.580 176.580 176.325 0.255 19955 349 1 . 1 1 852 852 PRO CA C 852 62.903 62.903 63.198 -0.295 19955 350 1 . 1 1 852 852 PRO CB C 852 31.765 31.765 32.062 -0.297 19955 351 1 . 1 1 853 853 ALA N N 853 124.102 124.102 125.173 -1.071 19955 352 1 . 1 1 853 853 ALA HA H 853 4.240 4.240 4.343 -0.103 19955 353 1 . 1 1 853 853 ALA C C 853 177.767 177.767 177.415 0.352 19955 354 1 . 1 1 853 853 ALA CA C 853 52.258 52.258 52.025 0.233 19955 355 1 . 1 1 853 853 ALA CB C 853 19.516 19.516 19.415 0.101 19955 356 1 . 1 1 853 853 ALA H H 853 8.354 8.354 8.202 0.152 19955 357 1 . 1 1 854 854 GLU N N 854 120.540 120.540 121.027 -0.487 19955 358 1 . 1 1 854 854 GLU HA H 854 4.203 4.203 4.244 -0.041 19955 359 1 . 1 1 854 854 GLU C C 854 176.402 176.402 176.390 0.012 19955 360 1 . 1 1 854 854 GLU CA C 854 56.380 56.380 56.711 -0.331 19955 361 1 . 1 1 854 854 GLU CB C 854 30.432 30.432 29.914 0.518 19955 362 1 . 1 1 854 854 GLU H H 854 8.348 8.348 8.472 -0.124 19955 363 1 . 1 1 855 855 LYS N N 855 122.717 122.717 119.751 2.966 19955 364 1 . 1 1 855 855 LYS HA H 855 4.215 4.215 4.270 -0.055 19955 365 1 . 1 1 855 855 LYS C C 855 176.078 176.078 176.061 0.017 19955 366 1 . 1 1 855 855 LYS CA C 855 56.018 56.018 56.402 -0.384 19955 367 1 . 1 1 855 855 LYS CB C 855 33.187 33.187 32.382 0.805 19955 368 1 . 1 1 855 855 LYS H H 855 8.305 8.305 8.294 0.011 19955 369 1 . 1 1 856 856 ALA N N 856 125.584 125.584 123.269 2.315 19955 370 1 . 1 1 856 856 ALA HA H 856 4.241 4.241 4.230 0.011 19955 371 1 . 1 1 856 856 ALA C C 856 177.276 177.276 176.773 0.503 19955 372 1 . 1 1 856 856 ALA CA C 856 52.046 52.046 52.526 -0.480 19955 373 1 . 1 1 856 856 ALA CB C 856 19.294 19.294 19.039 0.255 19955 374 1 . 1 1 856 856 ALA H H 856 8.219 8.219 8.094 0.125 19955 375 1 . 1 1 857 857 GLN N N 857 121.223 121.223 119.952 1.271 19955 376 1 . 1 1 857 857 GLN C C 857 173.964 173.964 173.950 0.014 19955 377 1 . 1 1 857 857 GLN CA C 857 53.490 53.490 54.123 -0.633 19955 378 1 . 1 1 857 857 GLN CB C 857 29.040 29.040 28.444 0.596 19955 379 1 . 1 1 857 857 GLN H H 857 8.333 8.333 8.263 0.070 19955 380 1 . 1 1 858 858 PRO HA H 858 4.338 4.338 4.411 -0.073 19955 381 1 . 1 1 858 858 PRO C C 858 176.696 176.696 176.520 0.176 19955 382 1 . 1 1 858 858 PRO CA C 858 62.910 62.910 63.095 -0.185 19955 383 1 . 1 1 858 858 PRO CB C 858 32.075 32.075 32.171 -0.096 19955 384 1 . 1 1 859 859 LYS N N 859 121.891 121.891 121.302 0.589 19955 385 1 . 1 1 859 859 LYS HA H 859 4.190 4.190 4.274 -0.084 19955 386 1 . 1 1 859 859 LYS C C 859 176.382 176.382 176.498 -0.116 19955 387 1 . 1 1 859 859 LYS CA C 859 56.130 56.130 56.523 -0.393 19955 388 1 . 1 1 859 859 LYS CB C 859 33.070 33.070 32.854 0.216 19955 389 1 . 1 1 859 859 LYS H H 859 8.355 8.355 8.268 0.087 19955 390 1 . 1 1 860 860 LYS N N 860 123.002 123.002 121.347 1.655 19955 391 1 . 1 1 860 860 LYS HA H 860 4.245 4.245 4.303 -0.058 19955 392 1 . 1 1 860 860 LYS C C 860 176.131 176.131 176.107 0.024 19955 393 1 . 1 1 860 860 LYS CA C 860 55.852 55.852 56.461 -0.609 19955 394 1 . 1 1 860 860 LYS CB C 860 33.148 33.148 32.782 0.366 19955 395 1 . 1 1 860 860 LYS H H 860 8.267 8.267 8.202 0.065 19955 396 1 . 1 1 861 861 LEU N N 861 124.576 124.576 122.088 2.488 19955 397 1 . 1 1 861 861 LEU HA H 861 4.356 4.356 4.410 -0.054 19955 398 1 . 1 1 861 861 LEU C C 861 177.069 177.069 176.589 0.480 19955 399 1 . 1 1 861 861 LEU CA C 861 54.795 54.795 55.206 -0.411 19955 400 1 . 1 1 861 861 LEU CB C 861 42.350 42.350 42.161 0.189 19955 401 1 . 1 1 861 861 LEU H H 861 8.316 8.316 8.173 0.143 19955 402 1 . 1 1 862 862 THR N N 862 117.878 117.878 116.064 1.814 19955 403 1 . 1 1 862 862 THR HA H 862 4.729 4.729 4.565 0.164 19955 404 1 . 1 1 862 862 THR C C 862 172.639 172.639 173.087 -0.448 19955 405 1 . 1 1 862 862 THR CA C 862 59.644 59.644 60.178 -0.534 19955 406 1 . 1 1 862 862 THR CB C 862 69.476 69.476 69.224 0.252 19955 407 1 . 1 1 862 862 THR H H 862 8.162 8.162 8.036 0.126 19955 408 1 . 1 1 863 863 PRO HA H 863 4.368 4.368 4.521 -0.153 19955 409 1 . 1 1 863 863 PRO C C 863 176.753 176.753 176.455 0.298 19955 410 1 . 1 1 863 863 PRO CA C 863 63.192 63.192 63.044 0.148 19955 411 1 . 1 1 863 863 PRO CB C 863 32.058 32.058 32.209 -0.151 19955 412 1 . 1 1 864 864 VAL N N 864 120.359 120.359 118.982 1.377 19955 413 1 . 1 1 864 864 VAL HA H 864 3.985 3.985 4.184 -0.199 19955 414 1 . 1 1 864 864 VAL C C 864 175.964 175.964 175.655 0.309 19955 415 1 . 1 1 864 864 VAL CA C 864 62.342 62.342 62.145 0.197 19955 416 1 . 1 1 864 864 VAL CB C 864 32.521 32.521 32.713 -0.192 19955 417 1 . 1 1 864 864 VAL H H 864 8.102 8.102 8.086 0.016 19955 418 1 . 1 1 865 865 GLN N N 865 124.642 124.642 120.355 4.287 19955 419 1 . 1 1 865 865 GLN HA H 865 4.286 4.286 4.349 -0.063 19955 420 1 . 1 1 865 865 GLN C C 865 175.443 175.443 175.069 0.374 19955 421 1 . 1 1 865 865 GLN CA C 865 55.595 55.595 55.733 -0.138 19955 422 1 . 1 1 865 865 GLN CB C 865 29.739 29.739 29.434 0.305 19955 423 1 . 1 1 865 865 GLN H H 865 8.333 8.333 8.277 0.056 19955 424 1 . 1 1 866 866 VAL N N 866 123.436 123.436 120.319 3.116 19955 425 1 . 1 1 866 866 VAL HA H 866 3.969 3.969 4.144 -0.175 19955 426 1 . 1 1 866 866 VAL C C 866 175.685 175.685 175.630 0.055 19955 427 1 . 1 1 866 866 VAL CA C 866 62.398 62.398 62.359 0.038 19955 428 1 . 1 1 866 866 VAL CB C 866 32.832 32.832 32.288 0.544 19955 429 1 . 1 1 866 866 VAL H H 866 8.189 8.189 8.298 -0.109 19955 430 1 . 1 1 867 867 LEU N N 867 127.515 127.515 123.835 3.680 19955 431 1 . 1 1 867 867 LEU HA H 867 4.262 4.262 4.437 -0.175 19955 432 1 . 1 1 867 867 LEU C C 867 177.037 177.037 176.576 0.461 19955 433 1 . 1 1 867 867 LEU CA C 867 55.688 55.688 54.890 0.798 19955 434 1 . 1 1 867 867 LEU CB C 867 42.552 42.552 42.588 -0.037 19955 435 1 . 1 1 867 867 LEU H H 867 8.679 8.679 8.131 0.548 19955 436 1 . 1 1 868 868 GLU N N 868 120.794 120.794 120.189 0.605 19955 437 1 . 1 1 868 868 GLU HA H 868 4.219 4.219 4.211 0.008 19955 438 1 . 1 1 868 868 GLU C C 868 175.353 175.353 175.455 -0.102 19955 439 1 . 1 1 868 868 GLU CA C 868 55.753 55.753 56.617 -0.864 19955 440 1 . 1 1 868 868 GLU CB C 868 31.419 31.419 30.046 1.373 19955 441 1 . 1 1 868 868 GLU H H 868 8.272 8.272 8.350 -0.078 19955 442 1 . 1 1 869 869 TYR N N 869 121.165 121.165 119.974 1.191 19955 443 1 . 1 1 869 869 TYR HA H 869 4.700 4.700 4.557 0.143 19955 444 1 . 1 1 869 869 TYR C C 869 176.824 176.824 176.029 0.795 19955 445 1 . 1 1 869 869 TYR CA C 869 56.809 56.809 58.177 -1.368 19955 446 1 . 1 1 869 869 TYR CB C 869 38.650 38.650 39.875 -1.225 19955 447 1 . 1 1 869 869 TYR H H 869 8.003 8.003 8.117 -0.114 19955 448 1 . 1 1 870 870 GLY N N 870 104.958 104.958 108.632 -3.674 19955 449 1 . 1 1 870 870 GLY C C 870 173.846 173.846 172.989 0.857 19955 450 1 . 1 1 870 870 GLY CA C 870 44.219 44.219 44.606 -0.387 19955 451 1 . 1 1 870 870 GLY H H 870 8.590 8.590 8.324 0.266 19955 452 1 . 1 1 871 871 GLU N N 871 122.341 122.341 119.281 3.060 19955 453 1 . 1 1 871 871 GLU HA H 871 5.222 5.222 5.354 -0.132 19955 454 1 . 1 1 871 871 GLU C C 871 173.827 173.827 174.571 -0.744 19955 455 1 . 1 1 871 871 GLU CA C 871 55.859 55.859 54.853 1.006 19955 456 1 . 1 1 871 871 GLU CB C 871 34.934 34.934 34.232 0.702 19955 457 1 . 1 1 871 871 GLU H H 871 9.246 9.246 7.984 1.262 19955 458 1 . 1 1 872 872 ALA N N 872 126.709 126.709 123.920 2.789 19955 459 1 . 1 1 872 872 ALA HA H 872 5.104 5.104 5.212 -0.108 19955 460 1 . 1 1 872 872 ALA C C 872 174.022 174.022 174.800 -0.778 19955 461 1 . 1 1 872 872 ALA CA C 872 50.135 50.135 50.940 -0.805 19955 462 1 . 1 1 872 872 ALA CB C 872 24.498 24.498 22.831 1.667 19955 463 1 . 1 1 872 872 ALA H H 872 9.266 9.266 8.924 0.342 19955 464 1 . 1 1 873 873 ILE N N 873 118.554 118.554 120.578 -2.024 19955 465 1 . 1 1 873 873 ILE HA H 873 4.614 4.614 4.923 -0.309 19955 466 1 . 1 1 873 873 ILE C C 873 176.132 176.132 175.356 0.776 19955 467 1 . 1 1 873 873 ILE CA C 873 58.788 58.788 58.597 0.191 19955 468 1 . 1 1 873 873 ILE CB C 873 40.630 40.630 41.464 -0.834 19955 469 1 . 1 1 873 873 ILE H H 873 8.522 8.522 8.551 -0.029 19955 470 1 . 1 1 874 874 ALA N N 874 129.739 129.739 131.125 -1.386 19955 471 1 . 1 1 874 874 ALA HA H 874 4.037 4.037 4.079 -0.042 19955 472 1 . 1 1 874 874 ALA C C 874 178.259 178.259 177.235 1.025 19955 473 1 . 1 1 874 874 ALA CA C 874 53.337 53.337 52.648 0.689 19955 474 1 . 1 1 874 874 ALA CB C 874 21.278 21.278 19.074 2.204 19955 475 1 . 1 1 874 874 ALA H H 874 8.608 8.608 8.274 0.334 19955 476 1 . 1 1 875 875 LYS N N 875 127.308 127.308 124.811 2.497 19955 477 1 . 1 1 875 875 LYS HA H 875 4.024 4.024 3.924 0.100 19955 478 1 . 1 1 875 875 LYS C C 875 174.098 174.098 176.088 -1.990 19955 479 1 . 1 1 875 875 LYS CA C 875 57.099 57.099 58.454 -1.355 19955 480 1 . 1 1 875 875 LYS CB C 875 33.984 33.984 32.940 1.044 19955 481 1 . 1 1 875 875 LYS H H 875 9.298 9.298 8.470 0.828 19955 482 1 . 1 1 876 876 PHE N N 876 113.423 113.423 116.184 -2.761 19955 483 1 . 1 1 876 876 PHE HA H 876 4.911 4.911 4.664 0.247 19955 484 1 . 1 1 876 876 PHE C C 876 174.050 174.050 174.746 -0.695 19955 485 1 . 1 1 876 876 PHE CA C 876 53.845 53.845 56.258 -2.413 19955 486 1 . 1 1 876 876 PHE CB C 876 43.742 43.742 41.546 2.196 19955 487 1 . 1 1 876 876 PHE H H 876 7.328 7.328 7.519 -0.191 19955 488 1 . 1 1 877 877 ASN N N 877 116.437 116.437 120.581 -4.144 19955 489 1 . 1 1 877 877 ASN HA H 877 4.789 4.789 4.620 0.169 19955 490 1 . 1 1 877 877 ASN C C 877 174.454 174.454 174.127 0.327 19955 491 1 . 1 1 877 877 ASN CA C 877 53.535 53.535 54.064 -0.529 19955 492 1 . 1 1 877 877 ASN CB C 877 38.207 38.207 38.687 -0.480 19955 493 1 . 1 1 877 877 ASN H H 877 8.666 8.666 8.610 0.056 19955 494 1 . 1 1 878 878 PHE N N 878 123.179 123.179 125.383 -2.204 19955 495 1 . 1 1 878 878 PHE HA H 878 4.665 4.665 4.594 0.071 19955 496 1 . 1 1 878 878 PHE C C 878 173.027 173.027 172.955 0.072 19955 497 1 . 1 1 878 878 PHE CA C 878 56.104 56.104 56.823 -0.719 19955 498 1 . 1 1 878 878 PHE CB C 878 42.086 42.086 42.308 -0.222 19955 499 1 . 1 1 878 878 PHE H H 878 8.433 8.433 8.680 -0.247 19955 500 1 . 1 1 879 879 ASN N N 879 127.113 127.113 124.354 2.759 19955 501 1 . 1 1 879 879 ASN HA H 879 4.562 4.562 4.611 -0.049 19955 502 1 . 1 1 879 879 ASN C C 879 173.174 173.174 174.053 -0.879 19955 503 1 . 1 1 879 879 ASN CA C 879 50.930 50.930 51.526 -0.596 19955 504 1 . 1 1 879 879 ASN CB C 879 39.387 39.387 39.659 -0.272 19955 505 1 . 1 1 879 879 ASN H H 879 8.000 8.000 7.885 0.115 19955 506 1 . 1 1 880 880 GLY N N 880 110.949 110.949 109.440 1.509 19955 507 1 . 1 1 880 880 GLY C C 880 173.383 173.383 174.183 -0.800 19955 508 1 . 1 1 880 880 GLY CA C 880 45.658 45.658 44.771 0.887 19955 509 1 . 1 1 880 880 GLY H H 880 7.997 7.997 8.204 -0.207 19955 510 1 . 1 1 881 881 ASP N N 881 122.408 122.408 120.131 2.277 19955 511 1 . 1 1 881 881 ASP HA H 881 4.633 4.633 4.737 -0.104 19955 512 1 . 1 1 881 881 ASP C C 881 176.286 176.286 176.332 -0.046 19955 513 1 . 1 1 881 881 ASP CA C 881 55.196 55.196 54.644 0.552 19955 514 1 . 1 1 881 881 ASP CB C 881 43.140 43.140 41.610 1.530 19955 515 1 . 1 1 881 881 ASP H H 881 8.796 8.796 8.495 0.301 19955 516 1 . 1 1 882 882 THR N N 882 108.354 108.354 111.202 -2.848 19955 517 1 . 1 1 882 882 THR HA H 882 4.583 4.583 4.624 -0.041 19955 518 1 . 1 1 882 882 THR C C 882 175.948 175.948 174.963 0.985 19955 519 1 . 1 1 882 882 THR CA C 882 60.352 60.352 60.219 0.133 19955 520 1 . 1 1 882 882 THR CB C 882 71.649 71.649 71.327 0.322 19955 521 1 . 1 1 882 882 THR H H 882 7.541 7.541 7.471 0.070 19955 522 1 . 1 1 883 883 GLN N N 883 118.622 118.622 119.738 -1.116 19955 523 1 . 1 1 883 883 GLN HA H 883 4.152 4.152 4.129 0.023 19955 524 1 . 1 1 883 883 GLN C C 883 176.478 176.478 176.914 -0.436 19955 525 1 . 1 1 883 883 GLN CA C 883 58.196 58.196 58.404 -0.208 19955 526 1 . 1 1 883 883 GLN CB C 883 28.669 28.669 28.391 0.278 19955 527 1 . 1 1 883 883 GLN H H 883 8.710 8.710 8.715 -0.005 19955 528 1 . 1 1 884 884 VAL N N 884 111.473 111.473 113.584 -2.111 19955 529 1 . 1 1 884 884 VAL HA H 884 4.207 4.207 3.925 0.282 19955 530 1 . 1 1 884 884 VAL C C 884 176.430 176.430 176.054 0.376 19955 531 1 . 1 1 884 884 VAL CA C 884 62.293 62.293 63.776 -1.483 19955 532 1 . 1 1 884 884 VAL CB C 884 31.924 31.924 31.579 0.345 19955 533 1 . 1 1 884 884 VAL H H 884 7.260 7.260 7.863 -0.603 19955 534 1 . 1 1 885 885 GLU N N 885 121.794 121.794 119.070 2.724 19955 535 1 . 1 1 885 885 GLU HA H 885 4.908 4.908 4.703 0.205 19955 536 1 . 1 1 885 885 GLU C C 885 175.369 175.369 175.733 -0.364 19955 537 1 . 1 1 885 885 GLU CA C 885 55.310 55.310 55.450 -0.140 19955 538 1 . 1 1 885 885 GLU CB C 885 31.789 31.789 30.520 1.269 19955 539 1 . 1 1 885 885 GLU H H 885 7.455 7.455 7.609 -0.154 19955 540 1 . 1 1 886 886 MET N N 886 125.473 125.473 124.004 1.469 19955 541 1 . 1 1 886 886 MET HA H 886 4.534 4.534 4.693 -0.159 19955 542 1 . 1 1 886 886 MET C C 886 172.841 172.841 175.349 -2.508 19955 543 1 . 1 1 886 886 MET CA C 886 54.129 54.129 54.579 -0.450 19955 544 1 . 1 1 886 886 MET CB C 886 35.157 35.157 34.245 0.912 19955 545 1 . 1 1 886 886 MET H H 886 8.996 8.996 8.673 0.323 19955 546 1 . 1 1 887 887 SER N N 887 118.425 118.425 118.573 -0.148 19955 547 1 . 1 1 887 887 SER HA H 887 4.402 4.402 4.544 -0.142 19955 548 1 . 1 1 887 887 SER C C 887 174.667 174.667 173.316 1.351 19955 549 1 . 1 1 887 887 SER CA C 887 58.612 58.612 57.554 1.058 19955 550 1 . 1 1 887 887 SER CB C 887 64.186 64.186 64.510 -0.324 19955 551 1 . 1 1 887 887 SER H H 887 7.888 7.888 8.358 -0.470 19955 552 1 . 1 1 888 888 PHE N N 888 116.363 116.363 118.739 -2.376 19955 553 1 . 1 1 888 888 PHE HA H 888 4.514 4.514 4.943 -0.429 19955 554 1 . 1 1 888 888 PHE C C 888 174.756 174.756 173.311 1.445 19955 555 1 . 1 1 888 888 PHE CA C 888 56.536 56.536 56.613 -0.077 19955 556 1 . 1 1 888 888 PHE CB C 888 39.802 39.802 40.736 -0.934 19955 557 1 . 1 1 888 888 PHE H H 888 8.780 8.780 8.368 0.412 19955 558 1 . 1 1 889 889 ARG N N 889 121.944 121.944 119.870 2.074 19955 559 1 . 1 1 889 889 ARG HA H 889 4.972 4.972 4.695 0.277 19955 560 1 . 1 1 889 889 ARG C C 889 175.318 175.318 176.099 -0.781 19955 561 1 . 1 1 889 889 ARG CA C 889 53.298 53.298 54.273 -0.975 19955 562 1 . 1 1 889 889 ARG CB C 889 32.886 32.886 32.876 0.010 19955 563 1 . 1 1 889 889 ARG H H 889 10.187 10.187 8.762 1.425 19955 564 1 . 1 1 890 890 LYS N N 890 119.991 119.991 122.175 -2.184 19955 565 1 . 1 1 890 890 LYS HA H 890 3.248 3.248 3.964 -0.716 19955 566 1 . 1 1 890 890 LYS C C 890 176.504 176.504 177.429 -0.925 19955 567 1 . 1 1 890 890 LYS CA C 890 58.396 58.396 58.118 0.278 19955 568 1 . 1 1 890 890 LYS CB C 890 32.829 32.829 32.018 0.811 19955 569 1 . 1 1 890 890 LYS H H 890 8.360 8.360 8.666 -0.306 19955 570 1 . 1 1 891 891 GLY N N 891 113.950 113.950 113.621 0.329 19955 571 1 . 1 1 891 891 GLY C C 891 174.298 174.298 174.251 0.047 19955 572 1 . 1 1 891 891 GLY CA C 891 44.668 44.668 44.990 -0.322 19955 573 1 . 1 1 891 891 GLY H H 891 8.673 8.673 8.689 -0.015 19955 574 1 . 1 1 892 892 GLU N N 892 119.511 119.511 121.427 -1.916 19955 575 1 . 1 1 892 892 GLU HA H 892 4.116 4.116 4.364 -0.248 19955 576 1 . 1 1 892 892 GLU C C 892 174.618 174.618 176.033 -1.415 19955 577 1 . 1 1 892 892 GLU CA C 892 59.515 59.515 55.952 3.563 19955 578 1 . 1 1 892 892 GLU CB C 892 30.581 30.581 30.713 -0.132 19955 579 1 . 1 1 892 892 GLU H H 892 7.856 7.856 7.863 -0.007 19955 580 1 . 1 1 893 893 ARG N N 893 122.979 122.979 121.953 1.026 19955 581 1 . 1 1 893 893 ARG HA H 893 4.597 4.597 4.755 -0.158 19955 582 1 . 1 1 893 893 ARG C C 893 174.836 174.836 176.001 -1.165 19955 583 1 . 1 1 893 893 ARG CA C 893 55.528 55.528 56.212 -0.684 19955 584 1 . 1 1 893 893 ARG CB C 893 31.040 31.040 31.387 -0.347 19955 585 1 . 1 1 893 893 ARG H H 893 8.120 8.120 8.558 -0.438 19955 586 1 . 1 1 894 894 ILE N N 894 122.659 122.659 123.711 -1.052 19955 587 1 . 1 1 894 894 ILE HA H 894 4.063 4.063 4.399 -0.336 19955 588 1 . 1 1 894 894 ILE C C 894 175.789 175.789 174.643 1.146 19955 589 1 . 1 1 894 894 ILE CA C 894 60.266 60.266 60.063 0.203 19955 590 1 . 1 1 894 894 ILE CB C 894 43.427 43.427 42.128 1.299 19955 591 1 . 1 1 894 894 ILE H H 894 8.586 8.586 9.023 -0.437 19955 592 1 . 1 1 895 895 THR N N 895 124.709 124.709 121.922 2.787 19955 593 1 . 1 1 895 895 THR HA H 895 4.441 4.441 4.890 -0.449 19955 594 1 . 1 1 895 895 THR C C 895 174.124 174.124 174.274 -0.150 19955 595 1 . 1 1 895 895 THR CA C 895 62.837 62.837 61.509 1.328 19955 596 1 . 1 1 895 895 THR CB C 895 69.246 69.246 69.656 -0.409 19955 597 1 . 1 1 895 895 THR H H 895 9.078 9.078 8.816 0.262 19955 598 1 . 1 1 896 896 LEU N N 896 122.648 122.648 128.107 -5.459 19955 599 1 . 1 1 896 896 LEU HA H 896 4.389 4.389 4.426 -0.037 19955 600 1 . 1 1 896 896 LEU C C 896 174.836 174.836 176.459 -1.623 19955 601 1 . 1 1 896 896 LEU H H 896 8.583 8.583 8.375 0.208 19955 602 1 . 1 1 897 897 LEU N N 897 124.502 124.502 124.906 -0.404 19955 603 1 . 1 1 897 897 LEU HA H 897 4.332 4.332 4.529 -0.197 19955 604 1 . 1 1 897 897 LEU C C 897 176.645 176.645 177.247 -0.602 19955 605 1 . 1 1 897 897 LEU CA C 897 56.226 56.226 55.947 0.279 19955 606 1 . 1 1 897 897 LEU CB C 897 42.331 42.331 43.276 -0.945 19955 607 1 . 1 1 897 897 LEU H H 897 8.984 8.984 8.564 0.420 19955 608 1 . 1 1 898 898 ARG N N 898 108.422 108.422 116.088 -7.666 19955 609 1 . 1 1 898 898 ARG HA H 898 4.442 4.442 4.600 -0.158 19955 610 1 . 1 1 898 898 ARG C C 898 173.645 173.645 173.791 -0.146 19955 611 1 . 1 1 898 898 ARG CA C 898 55.241 55.241 55.221 0.020 19955 612 1 . 1 1 898 898 ARG CB C 898 31.609 31.609 32.761 -1.152 19955 613 1 . 1 1 898 898 ARG H H 898 7.413 7.413 7.635 -0.222 19955 614 1 . 1 1 899 899 GLN N N 899 124.503 124.503 122.121 2.382 19955 615 1 . 1 1 899 899 GLN HA H 899 4.192 4.192 4.477 -0.285 19955 616 1 . 1 1 899 899 GLN C C 899 175.142 175.142 175.622 -0.480 19955 617 1 . 1 1 899 899 GLN CA C 899 56.296 56.296 55.271 1.025 19955 618 1 . 1 1 899 899 GLN CB C 899 28.489 28.489 29.551 -1.062 19955 619 1 . 1 1 899 899 GLN H H 899 9.301 9.301 8.695 0.606 19955 620 1 . 1 1 900 900 VAL N N 900 129.109 129.109 126.231 2.878 19955 621 1 . 1 1 900 900 VAL HA H 900 3.666 3.666 3.887 -0.221 19955 622 1 . 1 1 900 900 VAL C C 900 175.298 175.298 176.288 -0.990 19955 623 1 . 1 1 900 900 VAL CA C 900 64.773 64.773 64.393 0.380 19955 624 1 . 1 1 900 900 VAL CB C 900 32.821 32.821 32.322 0.499 19955 625 1 . 1 1 900 900 VAL H H 900 8.475 8.475 8.543 -0.068 19955 626 1 . 1 1 901 901 ASP N N 901 118.573 118.573 116.936 1.637 19955 627 1 . 1 1 901 901 ASP HA H 901 4.396 4.396 4.830 -0.434 19955 628 1 . 1 1 901 901 ASP C C 901 175.386 175.386 175.892 -0.506 19955 629 1 . 1 1 901 901 ASP CA C 901 53.300 53.300 53.669 -0.369 19955 630 1 . 1 1 901 901 ASP CB C 901 40.163 40.163 42.291 -2.128 19955 631 1 . 1 1 901 901 ASP H H 901 8.038 8.038 7.814 0.224 19955 632 1 . 1 1 902 902 GLU N N 902 114.492 114.492 118.811 -4.319 19955 633 1 . 1 1 902 902 GLU HA H 902 3.832 3.832 4.297 -0.465 19955 634 1 . 1 1 902 902 GLU C C 902 175.973 175.973 176.370 -0.397 19955 635 1 . 1 1 902 902 GLU CA C 902 59.095 59.095 58.253 0.842 19955 636 1 . 1 1 902 902 GLU CB C 902 29.507 29.507 30.427 -0.920 19955 637 1 . 1 1 902 902 GLU H H 902 8.784 8.784 8.559 0.225 19955 638 1 . 1 1 903 903 ASN N N 903 113.835 113.835 115.742 -1.907 19955 639 1 . 1 1 903 903 ASN HA H 903 4.864 4.864 4.840 0.024 19955 640 1 . 1 1 903 903 ASN C C 903 175.238 175.238 173.408 1.830 19955 641 1 . 1 1 903 903 ASN CA C 903 53.800 53.800 52.876 0.924 19955 642 1 . 1 1 903 903 ASN CB C 903 42.210 42.210 39.344 2.866 19955 643 1 . 1 1 903 903 ASN H H 903 8.763 8.763 8.354 0.409 19955 644 1 . 1 1 904 904 TRP N N 904 121.517 121.517 118.857 2.660 19955 645 1 . 1 1 904 904 TRP HA H 904 4.950 4.950 4.986 -0.036 19955 646 1 . 1 1 904 904 TRP C C 904 175.223 175.223 174.919 0.304 19955 647 1 . 1 1 904 904 TRP CA C 904 57.179 57.179 56.626 0.553 19955 648 1 . 1 1 904 904 TRP CB C 904 31.286 31.286 32.943 -1.657 19955 649 1 . 1 1 904 904 TRP H H 904 8.141 8.141 7.635 0.506 19955 650 1 . 1 1 905 905 TYR N N 905 121.365 121.365 117.211 4.154 19955 651 1 . 1 1 905 905 TYR HA H 905 4.916 4.916 5.043 -0.127 19955 652 1 . 1 1 905 905 TYR C C 905 173.702 173.702 172.762 0.940 19955 653 1 . 1 1 905 905 TYR CA C 905 56.460 56.460 56.571 -0.111 19955 654 1 . 1 1 905 905 TYR CB C 905 43.401 43.401 41.768 1.633 19955 655 1 . 1 1 905 905 TYR H H 905 8.550 8.550 8.473 0.077 19955 656 1 . 1 1 906 906 GLU N N 906 117.356 117.356 121.720 -4.364 19955 657 1 . 1 1 906 906 GLU HA H 906 4.885 4.885 4.638 0.247 19955 658 1 . 1 1 906 906 GLU C C 906 176.159 176.159 175.169 0.990 19955 659 1 . 1 1 906 906 GLU CA C 906 54.795 54.795 54.102 0.693 19955 660 1 . 1 1 906 906 GLU CB C 906 32.590 32.590 33.274 -0.684 19955 661 1 . 1 1 906 906 GLU H H 906 8.707 8.707 8.765 -0.058 19955 662 1 . 1 1 907 907 GLY N N 907 114.506 114.506 111.611 2.895 19955 663 1 . 1 1 907 907 GLY C C 907 169.408 169.408 171.825 -2.417 19955 664 1 . 1 1 907 907 GLY CA C 907 45.734 45.734 45.102 0.632 19955 665 1 . 1 1 907 907 GLY H H 907 9.334 9.334 8.519 0.815 19955 666 1 . 1 1 908 908 ARG N N 908 114.660 114.660 116.873 -2.213 19955 667 1 . 1 1 908 908 ARG HA H 908 5.377 5.377 5.279 0.098 19955 668 1 . 1 1 908 908 ARG C C 908 173.981 173.981 174.792 -0.811 19955 669 1 . 1 1 908 908 ARG CA C 908 54.277 54.277 54.376 -0.099 19955 670 1 . 1 1 908 908 ARG CB C 908 34.589 34.589 33.965 0.624 19955 671 1 . 1 1 908 908 ARG H H 908 8.694 8.694 8.531 0.163 19955 672 1 . 1 1 909 909 ILE N N 909 124.579 124.579 122.103 2.476 19955 673 1 . 1 1 909 909 ILE HA H 909 4.919 4.919 4.583 0.336 19955 674 1 . 1 1 909 909 ILE C C 909 175.024 175.024 175.070 -0.046 19955 675 1 . 1 1 909 909 ILE CA C 909 56.699 56.699 58.862 -2.163 19955 676 1 . 1 1 909 909 ILE CB C 909 35.387 35.387 38.165 -2.778 19955 677 1 . 1 1 909 909 ILE H H 909 7.757 7.757 8.211 -0.454 19955 678 1 . 1 1 910 910 PRO HA H 910 4.629 4.629 4.259 0.370 19955 679 1 . 1 1 910 910 PRO C C 910 176.353 176.353 177.630 -1.277 19955 680 1 . 1 1 910 910 PRO CA C 910 52.798 52.798 64.361 -11.563 19955 681 1 . 1 1 910 910 PRO CB C 910 30.408 30.408 31.859 -1.451 19955 682 1 . 1 1 911 911 GLY N N 911 118.118 118.118 109.694 8.424 19955 683 1 . 1 1 911 911 GLY C C 911 173.987 173.987 174.414 -0.427 19955 684 1 . 1 1 911 911 GLY CA C 911 45.332 45.332 45.163 0.169 19955 685 1 . 1 1 911 911 GLY H H 911 7.869 7.869 8.532 -0.663 19955 686 1 . 1 1 912 912 THR N N 912 109.041 109.041 112.018 -2.977 19955 687 1 . 1 1 912 912 THR HA H 912 4.469 4.469 3.915 0.554 19955 688 1 . 1 1 912 912 THR C C 912 174.144 174.144 174.477 -0.333 19955 689 1 . 1 1 912 912 THR CA C 912 60.194 60.194 63.130 -2.936 19955 690 1 . 1 1 912 912 THR CB C 912 72.812 72.812 67.605 5.207 19955 691 1 . 1 1 912 912 THR H H 912 7.743 7.743 8.052 -0.309 19955 692 1 . 1 1 913 913 SER N N 913 126.292 126.292 116.372 9.920 19955 693 1 . 1 1 913 913 SER HA H 913 4.671 4.671 4.273 0.398 19955 694 1 . 1 1 913 913 SER C C 913 174.781 174.781 174.375 0.406 19955 695 1 . 1 1 913 913 SER CA C 913 57.411 57.411 60.355 -2.944 19955 696 1 . 1 1 913 913 SER CB C 913 63.258 63.258 63.955 -0.697 19955 697 1 . 1 1 913 913 SER H H 913 7.896 7.896 8.302 -0.406 19955 698 1 . 1 1 914 914 ARG N N 914 124.284 124.284 118.967 5.317 19955 699 1 . 1 1 914 914 ARG HA H 914 4.253 4.253 4.613 -0.360 19955 700 1 . 1 1 914 914 ARG C C 914 174.712 174.712 173.894 0.818 19955 701 1 . 1 1 914 914 ARG CA C 914 56.960 56.960 55.676 1.284 19955 702 1 . 1 1 914 914 ARG CB C 914 30.694 30.694 32.935 -2.241 19955 703 1 . 1 1 914 914 ARG H H 914 8.631 8.631 7.874 0.757 19955 704 1 . 1 1 915 915 GLN N N 915 124.297 124.297 122.527 1.770 19955 705 1 . 1 1 915 915 GLN HA H 915 5.381 5.381 5.246 0.135 19955 706 1 . 1 1 915 915 GLN C C 915 174.377 174.377 174.210 0.167 19955 707 1 . 1 1 915 915 GLN CA C 915 55.566 55.566 54.741 0.825 19955 708 1 . 1 1 915 915 GLN CB C 915 31.006 31.006 32.359 -1.353 19955 709 1 . 1 1 915 915 GLN H H 915 8.054 8.054 8.595 -0.541 19955 710 1 . 1 1 916 916 GLY N N 916 112.028 112.028 110.510 1.518 19955 711 1 . 1 1 916 916 GLY C C 916 172.185 172.185 171.478 0.707 19955 712 1 . 1 1 916 916 GLY CA C 916 45.247 45.247 45.553 -0.306 19955 713 1 . 1 1 916 916 GLY H H 916 8.818 8.818 8.692 0.126 19955 714 1 . 1 1 917 917 ILE N N 917 113.634 113.634 115.647 -2.013 19955 715 1 . 1 1 917 917 ILE HA H 917 6.028 6.028 4.600 1.428 19955 716 1 . 1 1 917 917 ILE C C 917 176.584 176.584 173.627 2.957 19955 717 1 . 1 1 917 917 ILE CA C 917 59.979 59.979 58.333 1.646 19955 718 1 . 1 1 917 917 ILE CB C 917 41.225 41.225 40.790 0.435 19955 719 1 . 1 1 917 917 ILE H H 917 8.714 8.714 7.621 1.093 19955 720 1 . 1 1 918 918 PHE N N 918 115.806 115.806 117.633 -1.827 19955 721 1 . 1 1 918 918 PHE C C 918 170.959 170.959 172.654 -1.695 19955 722 1 . 1 1 918 918 PHE CA C 918 55.619 55.619 55.107 0.512 19955 723 1 . 1 1 918 918 PHE CB C 918 38.622 38.622 39.550 -0.928 19955 724 1 . 1 1 918 918 PHE H H 918 8.573 8.573 7.532 1.041 19955 725 1 . 1 1 919 919 PRO HA H 919 4.100 4.100 4.374 -0.274 19955 726 1 . 1 1 919 919 PRO C C 919 178.655 178.655 177.630 1.025 19955 727 1 . 1 1 919 919 PRO CA C 919 60.998 60.998 61.992 -0.994 19955 728 1 . 1 1 919 919 PRO CB C 919 31.210 31.210 31.885 -0.675 19955 729 1 . 1 1 920 920 ILE N N 920 123.677 123.677 123.293 0.384 19955 730 1 . 1 1 920 920 ILE HA H 920 3.691 3.691 3.816 -0.125 19955 731 1 . 1 1 920 920 ILE C C 920 176.798 176.798 177.908 -1.110 19955 732 1 . 1 1 920 920 ILE CA C 920 63.373 63.373 64.856 -1.483 19955 733 1 . 1 1 920 920 ILE CB C 920 38.851 38.851 37.593 1.257 19955 734 1 . 1 1 920 920 ILE H H 920 7.949 7.949 8.083 -0.134 19955 735 1 . 1 1 921 921 THR N N 921 106.993 106.993 114.551 -7.558 19955 736 1 . 1 1 921 921 THR HA H 921 4.294 4.294 4.042 0.252 19955 737 1 . 1 1 921 921 THR C C 921 175.639 175.639 175.595 0.044 19955 738 1 . 1 1 921 921 THR CA C 921 62.983 62.983 65.941 -2.958 19955 739 1 . 1 1 921 921 THR CB C 921 69.104 69.104 68.583 0.521 19955 740 1 . 1 1 921 921 THR H H 921 7.500 7.500 8.308 -0.808 19955 741 1 . 1 1 922 922 TYR N N 922 118.600 118.600 119.410 -0.810 19955 742 1 . 1 1 922 922 TYR HA H 922 4.640 4.640 4.836 -0.196 19955 743 1 . 1 1 922 922 TYR C C 922 175.481 175.481 174.777 0.704 19955 744 1 . 1 1 922 922 TYR CA C 922 59.448 59.448 57.448 2.000 19955 745 1 . 1 1 922 922 TYR CB C 922 38.600 38.600 38.546 0.054 19955 746 1 . 1 1 922 922 TYR H H 922 7.836 7.836 7.809 0.027 19955 747 1 . 1 1 923 923 VAL N N 923 109.058 109.058 114.411 -5.353 19955 748 1 . 1 1 923 923 VAL HA H 923 4.959 4.959 4.654 0.305 19955 749 1 . 1 1 923 923 VAL C C 923 172.905 172.905 174.303 -1.398 19955 750 1 . 1 1 923 923 VAL CA C 923 58.490 58.490 59.232 -0.742 19955 751 1 . 1 1 923 923 VAL CB C 923 35.287 35.287 35.240 0.047 19955 752 1 . 1 1 923 923 VAL H H 923 7.701 7.701 7.667 0.034 19955 753 1 . 1 1 924 924 ASP N N 924 120.115 120.115 122.686 -2.571 19955 754 1 . 1 1 924 924 ASP HA H 924 4.934 4.934 4.823 0.111 19955 755 1 . 1 1 924 924 ASP C C 924 175.863 175.863 175.108 0.755 19955 756 1 . 1 1 924 924 ASP CA C 924 52.934 52.934 52.076 0.858 19955 757 1 . 1 1 924 924 ASP CB C 924 42.263 42.263 43.122 -0.859 19955 758 1 . 1 1 924 924 ASP H H 924 8.658 8.658 8.626 0.032 19955 759 1 . 1 1 925 925 VAL N N 925 125.090 125.090 125.285 -0.195 19955 760 1 . 1 1 925 925 VAL HA H 925 3.679 3.679 4.055 -0.376 19955 761 1 . 1 1 925 925 VAL C C 925 175.620 175.620 175.605 0.015 19955 762 1 . 1 1 925 925 VAL CA C 925 64.215 64.215 62.137 2.078 19955 763 1 . 1 1 925 925 VAL CB C 925 31.721 31.721 31.865 -0.144 19955 764 1 . 1 1 925 925 VAL H H 925 8.911 8.911 8.542 0.369 19955 765 1 . 1 1 926 926 ILE N N 926 129.390 129.390 127.487 1.903 19955 766 1 . 1 1 926 926 ILE HA H 926 4.037 4.037 4.041 -0.004 19955 767 1 . 1 1 926 926 ILE C C 926 175.683 175.683 176.204 -0.521 19955 768 1 . 1 1 926 926 ILE CA C 926 61.578 61.578 62.318 -0.740 19955 769 1 . 1 1 926 926 ILE CB C 926 38.547 38.547 38.629 -0.082 19955 770 1 . 1 1 926 926 ILE H H 926 8.519 8.519 8.396 0.123 19955 771 1 . 1 1 927 927 LYS N N 927 122.060 122.060 119.365 2.695 19955 772 1 . 1 1 927 927 LYS HA H 927 4.612 4.612 4.519 0.093 19955 773 1 . 1 1 927 927 LYS C C 927 175.204 175.204 175.000 0.204 19955 774 1 . 1 1 927 927 LYS CA C 927 55.597 55.597 55.119 0.478 19955 775 1 . 1 1 927 927 LYS CB C 927 35.633 35.633 34.984 0.649 19955 776 1 . 1 1 927 927 LYS H H 927 8.017 8.017 7.507 0.510 19955 777 1 . 1 1 928 928 ARG N N 928 126.441 126.441 123.941 2.500 19955 778 1 . 1 1 928 928 ARG HA H 928 4.427 4.427 4.492 -0.065 19955 779 1 . 1 1 928 928 ARG C C 928 173.959 173.959 175.173 -1.214 19955 780 1 . 1 1 928 928 ARG CA C 928 55.488 55.488 54.589 0.899 19955 781 1 . 1 1 928 928 ARG CB C 928 29.713 29.713 29.601 0.112 19955 782 1 . 1 1 928 928 ARG H H 928 8.729 8.729 8.594 0.135 19955 783 1 . 1 1 929 929 PRO HA H 929 4.513 4.513 4.406 0.107 19955 784 1 . 1 1 929 929 PRO CA C 929 62.718 62.718 63.569 -0.850 19955 785 1 . 1 1 929 929 PRO CB C 929 31.616 31.616 32.040 -0.424 19955 stop_ save_