data_25448 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25448 _Entry.PDB_ID 2MY9 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 25448 _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 3 3 SER N N 3 113.812 113.812 116.498 -2.686 25448 2 1 1 . 1 1 3 3 SER HA H 3 4.697 4.697 4.473 0.224 25448 3 1 1 . 1 1 3 3 SER CA C 3 58.996 58.996 57.161 1.835 25448 4 1 1 . 1 1 3 3 SER CB C 3 63.800 63.800 63.621 0.179 25448 5 1 1 . 1 1 3 3 SER H H 3 7.587 7.587 8.306 -0.719 25448 6 1 1 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.547 -0.134 25448 7 1 1 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.959 -0.605 25448 8 1 1 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.076 -0.176 25448 9 1 1 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.795 -0.238 25448 10 1 1 . 1 1 5 5 HIS CA C 5 56.230 56.230 54.309 1.921 25448 11 1 1 . 1 1 5 5 HIS CB C 5 30.500 30.500 31.277 -0.777 25448 12 1 1 . 1 1 5 5 HIS H H 5 6.984 6.984 7.571 -0.587 25448 13 1 1 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.486 -0.198 25448 14 1 1 . 1 1 6 6 GLN CA C 6 55.174 55.174 56.322 -1.147 25448 15 1 1 . 1 1 6 6 GLN CB C 6 30.042 30.042 29.515 0.527 25448 16 1 1 . 1 1 7 7 GLU N N 7 124.477 124.477 122.299 2.178 25448 17 1 1 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.702 -0.213 25448 18 1 1 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.181 0.930 25448 19 1 1 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.348 -1.436 25448 20 1 1 . 1 1 7 7 GLU H H 7 8.353 8.353 8.432 -0.079 25448 21 1 1 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.657 -0.313 25448 22 1 1 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.187 0.211 25448 23 1 1 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.229 -0.829 25448 24 1 1 . 1 1 9 9 LYS N N 9 122.328 122.328 120.547 1.781 25448 25 1 1 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.923 -0.050 25448 26 1 1 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.485 0.666 25448 27 1 1 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.557 -1.418 25448 28 1 1 . 1 1 9 9 LYS H H 9 9.336 9.336 9.035 0.301 25448 29 1 1 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.262 -0.339 25448 30 1 1 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.698 -0.164 25448 31 1 1 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.542 0.087 25448 32 1 1 . 1 1 11 11 GLY N N 11 112.758 112.758 114.627 -1.869 25448 33 1 1 . 1 1 11 11 GLY CA C 11 45.182 45.182 44.922 0.260 25448 34 1 1 . 1 1 11 11 GLY H H 11 9.359 9.359 9.110 0.249 25448 35 1 1 . 1 1 12 12 ASP N N 12 120.500 120.500 122.198 -1.698 25448 36 1 1 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.828 0.042 25448 37 1 1 . 1 1 12 12 ASP CA C 12 55.211 55.211 55.259 -0.048 25448 38 1 1 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.215 1.731 25448 39 1 1 . 1 1 12 12 ASP H H 12 8.277 8.277 8.001 0.276 25448 40 1 1 . 1 1 13 13 LEU N N 13 119.594 119.594 124.817 -5.223 25448 41 1 1 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.855 0.122 25448 42 1 1 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.827 -0.838 25448 43 1 1 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.336 -1.138 25448 44 1 1 . 1 1 13 13 LEU H H 13 9.103 9.103 9.335 -0.232 25448 45 1 1 . 1 1 14 14 ILE N N 14 121.352 121.352 125.163 -3.811 25448 46 1 1 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.783 -0.173 25448 47 1 1 . 1 1 14 14 ILE CA C 14 58.178 58.178 58.637 -0.459 25448 48 1 1 . 1 1 14 14 ILE CB C 14 39.213 39.213 37.472 1.741 25448 49 1 1 . 1 1 14 14 ILE H H 14 9.221 9.221 9.257 -0.036 25448 50 1 1 . 1 1 15 15 GLU N N 15 129.555 129.555 128.745 0.810 25448 51 1 1 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.168 -0.950 25448 52 1 1 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.476 -0.028 25448 53 1 1 . 1 1 15 15 GLU CB C 15 31.783 31.783 32.047 -0.264 25448 54 1 1 . 1 1 15 15 GLU H H 15 8.625 8.625 9.240 -0.615 25448 55 1 1 . 1 1 16 16 ILE N N 16 125.258 125.258 125.993 -0.735 25448 56 1 1 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.653 -0.544 25448 57 1 1 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.815 0.685 25448 58 1 1 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.518 -0.117 25448 59 1 1 . 1 1 16 16 ILE H H 16 8.557 8.557 8.683 -0.126 25448 60 1 1 . 1 1 17 17 PHE N N 17 127.058 127.058 127.460 -0.402 25448 61 1 1 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.890 -0.388 25448 62 1 1 . 1 1 17 17 PHE CA C 17 58.939 58.939 57.151 1.788 25448 63 1 1 . 1 1 17 17 PHE CB C 17 37.496 37.496 39.121 -1.625 25448 64 1 1 . 1 1 17 17 PHE H H 17 8.500 8.500 9.202 -0.702 25448 65 1 1 . 1 1 18 18 ARG N N 18 124.569 124.569 122.170 2.399 25448 66 1 1 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.593 0.057 25448 67 1 1 . 1 1 18 18 ARG CA C 18 54.596 54.596 54.502 0.094 25448 68 1 1 . 1 1 18 18 ARG CB C 18 30.206 30.206 32.011 -1.806 25448 69 1 1 . 1 1 18 18 ARG H H 18 7.686 7.686 8.674 -0.988 25448 70 1 1 . 1 1 19 19 LEU N N 19 121.049 121.049 121.258 -0.209 25448 71 1 1 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.203 0.221 25448 72 1 1 . 1 1 19 19 LEU CA C 19 56.123 56.123 56.215 -0.091 25448 73 1 1 . 1 1 19 19 LEU CB C 19 40.296 40.296 40.648 -0.352 25448 74 1 1 . 1 1 19 19 LEU H H 19 8.103 8.103 8.702 -0.599 25448 75 1 1 . 1 1 20 20 GLY N N 20 115.623 115.623 112.549 3.074 25448 76 1 1 . 1 1 20 20 GLY CA C 20 45.736 45.736 44.976 0.760 25448 77 1 1 . 1 1 20 20 GLY H H 20 8.686 8.686 8.955 -0.269 25448 78 1 1 . 1 1 21 21 TYR N N 21 115.905 115.905 118.096 -2.191 25448 79 1 1 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.706 0.054 25448 80 1 1 . 1 1 21 21 TYR CA C 21 56.507 56.507 56.428 0.079 25448 81 1 1 . 1 1 21 21 TYR CB C 21 38.631 38.631 41.429 -2.798 25448 82 1 1 . 1 1 21 21 TYR H H 21 7.433 7.433 7.519 -0.086 25448 83 1 1 . 1 1 22 22 GLU N N 22 116.649 116.649 119.831 -3.182 25448 84 1 1 . 1 1 22 22 GLU HA H 22 5.160 5.160 5.141 0.019 25448 85 1 1 . 1 1 22 22 GLU CA C 22 56.255 56.255 54.687 1.568 25448 86 1 1 . 1 1 22 22 GLU CB C 22 32.167 32.167 32.227 -0.061 25448 87 1 1 . 1 1 22 22 GLU H H 22 8.139 8.139 8.681 -0.542 25448 88 1 1 . 1 1 23 23 HIS N N 23 122.171 122.171 118.284 3.887 25448 89 1 1 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.965 0.623 25448 90 1 1 . 1 1 23 23 HIS CA C 23 54.161 54.161 55.026 -0.865 25448 91 1 1 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.626 0.744 25448 92 1 1 . 1 1 23 23 HIS H H 23 8.943 8.943 8.400 0.543 25448 93 1 1 . 1 1 24 24 TRP N N 24 124.412 124.412 119.934 4.478 25448 94 1 1 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.665 0.032 25448 95 1 1 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.098 -0.192 25448 96 1 1 . 1 1 24 24 TRP CB C 24 33.156 33.156 35.038 -1.882 25448 97 1 1 . 1 1 24 24 TRP H H 24 6.764 6.764 7.514 -0.750 25448 98 1 1 . 1 1 25 25 ALA N N 25 121.149 121.149 120.959 0.190 25448 99 1 1 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.043 -0.182 25448 100 1 1 . 1 1 25 25 ALA CA C 25 50.352 50.352 51.245 -0.893 25448 101 1 1 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.235 -0.282 25448 102 1 1 . 1 1 25 25 ALA H H 25 9.336 9.336 8.997 0.339 25448 103 1 1 . 1 1 26 26 LEU N N 26 122.472 122.472 122.301 0.171 25448 104 1 1 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.210 0.050 25448 105 1 1 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.922 0.719 25448 106 1 1 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.809 1.612 25448 107 1 1 . 1 1 26 26 LEU H H 26 8.835 8.835 9.016 -0.181 25448 108 1 1 . 1 1 27 27 TYR N N 27 128.215 128.215 129.077 -0.862 25448 109 1 1 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.773 -0.021 25448 110 1 1 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.408 1.394 25448 111 1 1 . 1 1 27 27 TYR CB C 27 38.670 38.670 40.052 -1.382 25448 112 1 1 . 1 1 27 27 TYR H H 27 9.750 9.750 9.339 0.411 25448 113 1 1 . 1 1 28 28 ILE N N 28 119.796 119.796 121.955 -2.159 25448 114 1 1 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.507 0.066 25448 115 1 1 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.322 0.497 25448 116 1 1 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.148 -0.248 25448 117 1 1 . 1 1 28 28 ILE H H 28 8.196 8.196 8.049 0.147 25448 118 1 1 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.295 -0.295 25448 119 1 1 . 1 1 29 29 GLY H H 29 6.584 6.584 6.636 -0.052 25448 120 1 1 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.346 0.076 25448 121 1 1 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.075 0.565 25448 122 1 1 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.090 0.163 25448 123 1 1 . 1 1 30 30 ASP H H 30 6.837 6.837 8.887 -2.050 25448 124 1 1 . 1 1 31 31 GLY N N 31 124.953 124.953 102.192 22.761 25448 125 1 1 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.147 0.391 25448 126 1 1 . 1 1 31 31 GLY H H 31 8.120 8.120 7.952 0.168 25448 127 1 1 . 1 1 32 32 TYR N N 32 120.196 120.196 120.816 -0.620 25448 128 1 1 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.148 -0.218 25448 129 1 1 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.230 0.558 25448 130 1 1 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.305 1.690 25448 131 1 1 . 1 1 32 32 TYR H H 32 7.843 7.843 7.630 0.213 25448 132 1 1 . 1 1 33 33 VAL N N 33 109.892 109.892 114.909 -5.017 25448 133 1 1 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.172 0.294 25448 134 1 1 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.550 -2.090 25448 135 1 1 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.617 -0.460 25448 136 1 1 . 1 1 33 33 VAL H H 33 9.242 9.242 9.363 -0.121 25448 137 1 1 . 1 1 34 34 ILE N N 34 119.424 119.424 122.343 -2.919 25448 138 1 1 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.239 0.316 25448 139 1 1 . 1 1 34 34 ILE CA C 34 60.331 60.331 60.054 0.277 25448 140 1 1 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.316 0.616 25448 141 1 1 . 1 1 34 34 ILE H H 34 9.084 9.084 9.094 -0.010 25448 142 1 1 . 1 1 35 35 HIS N N 35 123.118 123.118 121.042 2.076 25448 143 1 1 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.334 -0.176 25448 144 1 1 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.475 -0.257 25448 145 1 1 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.814 2.186 25448 146 1 1 . 1 1 35 35 HIS H H 35 9.110 9.110 9.135 -0.025 25448 147 1 1 . 1 1 36 36 LEU N N 36 123.704 123.704 122.494 1.210 25448 148 1 1 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.571 -0.487 25448 149 1 1 . 1 1 36 36 LEU CA C 36 53.682 53.682 53.774 -0.092 25448 150 1 1 . 1 1 36 36 LEU CB C 36 41.631 41.631 44.067 -2.436 25448 151 1 1 . 1 1 36 36 LEU H H 36 8.991 8.991 8.919 0.072 25448 152 1 1 . 1 1 37 37 ALA N N 37 129.765 129.765 130.504 -0.739 25448 153 1 1 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.723 -0.396 25448 154 1 1 . 1 1 37 37 ALA CA C 37 49.698 49.698 49.872 -0.174 25448 155 1 1 . 1 1 37 37 ALA CB C 37 19.428 19.428 18.676 0.752 25448 156 1 1 . 1 1 37 37 ALA H H 37 8.050 8.050 8.733 -0.683 25448 157 1 1 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.745 -0.741 25448 158 1 1 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.620 -0.820 25448 159 1 1 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.421 -0.893 25448 160 1 1 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.546 -0.172 25448 161 1 1 . 1 1 39 39 PRO CA C 39 62.900 62.900 62.128 0.772 25448 162 1 1 . 1 1 39 39 PRO CB C 39 32.000 32.000 33.998 -1.998 25448 163 1 1 . 1 1 40 40 SER N N 40 114.906 114.906 113.227 1.679 25448 164 1 1 . 1 1 40 40 SER HA H 40 4.326 4.326 4.734 -0.408 25448 165 1 1 . 1 1 40 40 SER CA C 40 58.700 58.700 56.809 1.891 25448 166 1 1 . 1 1 40 40 SER CB C 40 64.004 64.004 65.094 -1.090 25448 167 1 1 . 1 1 40 40 SER H H 40 8.184 8.184 8.893 -0.709 25448 168 1 1 . 1 1 41 41 GLU N N 41 121.221 121.221 122.577 -1.356 25448 169 1 1 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.461 -0.200 25448 170 1 1 . 1 1 41 41 GLU CA C 41 56.424 56.424 56.728 -0.304 25448 171 1 1 . 1 1 41 41 GLU CB C 41 30.514 30.514 29.707 0.806 25448 172 1 1 . 1 1 41 41 GLU H H 41 8.401 8.401 8.909 -0.508 25448 173 1 1 . 1 1 42 42 TYR N N 42 121.900 121.900 122.034 -0.134 25448 174 1 1 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.205 0.576 25448 175 1 1 . 1 1 42 42 TYR CA C 42 55.700 55.700 62.515 -6.815 25448 176 1 1 . 1 1 42 42 TYR CB C 42 38.400 38.400 36.250 2.150 25448 177 1 1 . 1 1 42 42 TYR H H 42 8.117 8.117 8.510 -0.393 25448 178 1 1 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.279 0.124 25448 179 1 1 . 1 1 43 43 PRO CA C 43 63.480 63.480 64.045 -0.565 25448 180 1 1 . 1 1 43 43 PRO CB C 43 31.800 31.800 31.335 0.465 25448 181 1 1 . 1 1 44 44 GLY N N 44 109.030 109.030 105.711 3.319 25448 182 1 1 . 1 1 44 44 GLY CA C 44 45.244 45.244 43.494 1.750 25448 183 1 1 . 1 1 44 44 GLY H H 44 8.001 8.001 8.036 -0.035 25448 184 1 1 . 1 1 45 45 ALA N N 45 123.500 123.500 123.672 -0.172 25448 185 1 1 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.227 0.085 25448 186 1 1 . 1 1 45 45 ALA CA C 45 52.853 52.853 52.326 0.527 25448 187 1 1 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.431 -0.109 25448 188 1 1 . 1 1 45 45 ALA H H 45 8.082 8.082 7.263 0.819 25448 189 1 1 . 1 1 46 46 GLY N N 46 108.151 108.151 107.916 0.235 25448 190 1 1 . 1 1 46 46 GLY CA C 46 45.460 45.460 45.560 -0.100 25448 191 1 1 . 1 1 46 46 GLY H H 46 8.408 8.408 8.339 0.069 25448 192 1 1 . 1 1 48 48 SER N N 48 116.904 116.904 113.869 3.035 25448 193 1 1 . 1 1 48 48 SER HA H 48 4.700 4.700 4.955 -0.255 25448 194 1 1 . 1 1 48 48 SER H H 48 8.044 8.044 7.733 0.311 25448 195 1 1 . 1 1 49 49 SER HA H 49 4.456 4.456 5.080 -0.624 25448 196 1 1 . 1 1 49 49 SER CA C 49 58.713 58.713 55.711 3.002 25448 197 1 1 . 1 1 49 49 SER CB C 49 64.000 64.000 64.895 -0.895 25448 198 1 1 . 1 1 50 50 VAL N N 50 120.352 120.352 120.650 -0.298 25448 199 1 1 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.895 0.138 25448 200 1 1 . 1 1 50 50 VAL CA C 50 62.816 62.816 64.560 -1.744 25448 201 1 1 . 1 1 50 50 VAL CB C 50 32.416 32.416 31.248 1.168 25448 202 1 1 . 1 1 50 50 VAL H H 50 7.890 7.890 8.540 -0.650 25448 203 1 1 . 1 1 51 51 PHE N N 51 121.600 121.600 117.716 3.884 25448 204 1 1 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.526 0.050 25448 205 1 1 . 1 1 51 51 PHE CA C 51 58.198 58.198 59.008 -0.810 25448 206 1 1 . 1 1 51 51 PHE CB C 51 39.470 39.470 39.057 0.413 25448 207 1 1 . 1 1 51 51 PHE H H 51 7.989 7.989 7.606 0.383 25448 208 1 1 . 1 1 52 52 SER N N 52 116.521 116.521 112.263 4.258 25448 209 1 1 . 1 1 52 52 SER HA H 52 4.429 4.429 4.632 -0.203 25448 210 1 1 . 1 1 52 52 SER C C 52 174.445 174.445 174.231 0.214 25448 211 1 1 . 1 1 52 52 SER CA C 52 58.365 58.365 58.707 -0.342 25448 212 1 1 . 1 1 52 52 SER CB C 52 64.018 64.018 65.665 -1.647 25448 213 1 1 . 1 1 52 52 SER H H 52 8.018 8.018 8.182 -0.164 25448 214 1 1 . 1 1 53 53 VAL N N 53 120.571 120.571 120.873 -0.302 25448 215 1 1 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.326 -0.223 25448 216 1 1 . 1 1 53 53 VAL CA C 53 62.979 62.979 60.326 2.653 25448 217 1 1 . 1 1 53 53 VAL CB C 53 32.416 32.416 34.873 -2.457 25448 218 1 1 . 1 1 53 53 VAL H H 53 7.959 7.959 8.102 -0.143 25448 219 1 1 . 1 1 54 54 LEU N N 54 123.703 123.703 123.708 -0.005 25448 220 1 1 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.470 -0.104 25448 221 1 1 . 1 1 54 54 LEU CA C 54 55.500 55.500 54.248 1.252 25448 222 1 1 . 1 1 54 54 LEU CB C 54 42.293 42.293 42.716 -0.423 25448 223 1 1 . 1 1 54 54 LEU H H 54 8.095 8.095 8.056 0.039 25448 224 1 1 . 1 1 55 55 SER N N 55 115.309 115.309 114.704 0.605 25448 225 1 1 . 1 1 55 55 SER HA H 55 4.399 4.399 4.430 -0.031 25448 226 1 1 . 1 1 55 55 SER CA C 55 58.365 58.365 58.005 0.360 25448 227 1 1 . 1 1 55 55 SER CB C 55 64.110 64.110 64.319 -0.209 25448 228 1 1 . 1 1 55 55 SER H H 55 8.063 8.063 8.409 -0.346 25448 229 1 1 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.962 -0.044 25448 230 1 1 . 1 1 56 56 ASN CA C 56 53.151 53.151 52.261 0.890 25448 231 1 1 . 1 1 56 56 ASN CB C 56 39.339 39.339 41.852 -2.513 25448 232 1 1 . 1 1 57 57 SER N N 57 115.102 115.102 113.074 2.028 25448 233 1 1 . 1 1 57 57 SER HA H 57 4.694 4.694 4.521 0.173 25448 234 1 1 . 1 1 57 57 SER CA C 57 58.307 58.307 57.576 0.731 25448 235 1 1 . 1 1 57 57 SER CB C 57 64.838 64.838 65.804 -0.966 25448 236 1 1 . 1 1 57 57 SER H H 57 8.065 8.065 8.031 0.034 25448 237 1 1 . 1 1 58 58 ALA N N 58 125.610 125.610 122.246 3.364 25448 238 1 1 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.776 -0.282 25448 239 1 1 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.794 0.487 25448 240 1 1 . 1 1 58 58 ALA CB C 58 22.479 22.479 21.024 1.455 25448 241 1 1 . 1 1 58 58 ALA H H 58 8.548 8.548 8.482 0.066 25448 242 1 1 . 1 1 59 59 GLU N N 59 120.190 120.190 120.885 -0.695 25448 243 1 1 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.055 -0.022 25448 244 1 1 . 1 1 59 59 GLU CA C 59 54.004 54.004 54.961 -0.957 25448 245 1 1 . 1 1 59 59 GLU CB C 59 34.292 34.292 34.313 -0.021 25448 246 1 1 . 1 1 59 59 GLU H H 59 8.116 8.116 8.087 0.029 25448 247 1 1 . 1 1 60 60 VAL N N 60 125.380 125.380 126.489 -1.109 25448 248 1 1 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.086 0.252 25448 249 1 1 . 1 1 60 60 VAL CA C 60 62.784 62.784 62.981 -0.197 25448 250 1 1 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.680 -0.924 25448 251 1 1 . 1 1 60 60 VAL H H 60 8.531 8.531 8.902 -0.371 25448 252 1 1 . 1 1 61 61 LYS N N 61 129.548 129.548 127.704 1.844 25448 253 1 1 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.637 0.263 25448 254 1 1 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.030 1.554 25448 255 1 1 . 1 1 61 61 LYS CB C 61 38.034 38.034 36.827 1.208 25448 256 1 1 . 1 1 61 61 LYS H H 61 9.068 9.068 8.815 0.253 25448 257 1 1 . 1 1 62 62 ARG N N 62 123.653 123.653 122.574 1.079 25448 258 1 1 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.295 0.407 25448 259 1 1 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.157 -0.771 25448 260 1 1 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.661 -0.703 25448 261 1 1 . 1 1 62 62 ARG H H 62 8.749 8.749 8.621 0.128 25448 262 1 1 . 1 1 63 63 GLU N N 63 125.033 125.033 124.843 0.190 25448 263 1 1 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.877 0.121 25448 264 1 1 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.526 0.352 25448 265 1 1 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.242 2.741 25448 266 1 1 . 1 1 63 63 GLU H H 63 8.973 8.973 9.250 -0.277 25448 267 1 1 . 1 1 64 64 ARG N N 64 121.855 121.855 119.935 1.920 25448 268 1 1 . 1 1 64 64 ARG HA H 64 3.900 3.900 4.120 -0.220 25448 269 1 1 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.915 -0.015 25448 270 1 1 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.334 -0.788 25448 271 1 1 . 1 1 64 64 ARG H H 64 9.273 9.273 8.737 0.536 25448 272 1 1 . 1 1 65 65 LEU N N 65 124.611 124.611 126.498 -1.887 25448 273 1 1 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.863 -0.293 25448 274 1 1 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.633 0.377 25448 275 1 1 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.943 -0.220 25448 276 1 1 . 1 1 65 65 LEU H H 65 8.823 8.823 8.823 -0.000 25448 277 1 1 . 1 1 66 66 GLU N N 66 115.188 115.188 118.729 -3.541 25448 278 1 1 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.751 0.084 25448 279 1 1 . 1 1 66 66 GLU CA C 66 59.654 59.654 60.056 -0.402 25448 280 1 1 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.646 0.514 25448 281 1 1 . 1 1 66 66 GLU H H 66 9.360 9.360 8.680 0.680 25448 282 1 1 . 1 1 67 67 ASP N N 67 118.590 118.590 118.565 0.025 25448 283 1 1 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.373 0.087 25448 284 1 1 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.645 -0.078 25448 285 1 1 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.732 -0.062 25448 286 1 1 . 1 1 67 67 ASP H H 67 6.806 6.806 8.138 -1.332 25448 287 1 1 . 1 1 68 68 VAL N N 68 119.985 119.985 118.306 1.679 25448 288 1 1 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.665 -0.049 25448 289 1 1 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.281 -0.211 25448 290 1 1 . 1 1 68 68 VAL CB C 68 32.167 32.167 32.073 0.094 25448 291 1 1 . 1 1 68 68 VAL H H 68 7.414 7.414 7.915 -0.501 25448 292 1 1 . 1 1 69 69 VAL N N 69 116.972 116.972 113.407 3.565 25448 293 1 1 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.774 -0.272 25448 294 1 1 . 1 1 69 69 VAL CA C 69 65.337 65.337 63.528 1.809 25448 295 1 1 . 1 1 69 69 VAL CB C 69 32.036 32.036 31.723 0.313 25448 296 1 1 . 1 1 69 69 VAL H H 69 8.261 8.261 8.082 0.179 25448 297 1 1 . 1 1 70 70 GLY N N 70 107.311 107.311 109.779 -2.468 25448 298 1 1 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.427 1.183 25448 299 1 1 . 1 1 70 70 GLY H H 70 7.395 7.395 8.248 -0.853 25448 300 1 1 . 1 1 71 71 GLY N N 71 110.582 110.582 110.535 0.047 25448 301 1 1 . 1 1 71 71 GLY CA C 71 45.176 45.176 44.643 0.533 25448 302 1 1 . 1 1 71 71 GLY H H 71 8.831 8.831 8.544 0.287 25448 303 1 1 . 1 1 72 72 CYS N N 72 118.742 118.742 120.672 -1.930 25448 304 1 1 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.473 0.025 25448 305 1 1 . 1 1 72 72 CYS CA C 72 60.154 60.154 59.980 0.173 25448 306 1 1 . 1 1 72 72 CYS CB C 72 29.295 29.295 29.021 0.274 25448 307 1 1 . 1 1 72 72 CYS H H 72 7.613 7.613 7.671 -0.058 25448 308 1 1 . 1 1 73 73 CYS N N 73 120.205 120.205 122.214 -2.009 25448 309 1 1 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.559 -0.028 25448 310 1 1 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.357 0.435 25448 311 1 1 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.155 -0.109 25448 312 1 1 . 1 1 73 73 CYS H H 73 9.007 9.007 8.579 0.428 25448 313 1 1 . 1 1 74 74 TYR N N 74 119.008 119.008 117.002 2.006 25448 314 1 1 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.544 0.053 25448 315 1 1 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.661 -1.071 25448 316 1 1 . 1 1 74 74 TYR CB C 74 41.876 41.876 40.939 0.937 25448 317 1 1 . 1 1 74 74 TYR H H 74 8.141 8.141 8.161 -0.020 25448 318 1 1 . 1 1 75 75 ARG N N 75 115.457 115.457 118.435 -2.978 25448 319 1 1 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.834 -0.195 25448 320 1 1 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.396 -0.401 25448 321 1 1 . 1 1 75 75 ARG CB C 75 33.235 33.235 35.380 -2.145 25448 322 1 1 . 1 1 75 75 ARG H H 75 9.008 9.008 9.071 -0.063 25448 323 1 1 . 1 1 76 76 VAL N N 76 123.071 123.071 120.748 2.323 25448 324 1 1 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.545 0.018 25448 325 1 1 . 1 1 76 76 VAL CA C 76 62.968 62.968 61.905 1.063 25448 326 1 1 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.675 -0.710 25448 327 1 1 . 1 1 76 76 VAL H H 76 8.511 8.511 9.226 -0.715 25448 328 1 1 . 1 1 77 77 ASN N N 77 126.125 126.125 127.267 -1.142 25448 329 1 1 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.939 -0.083 25448 330 1 1 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.906 -0.834 25448 331 1 1 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.517 -0.877 25448 332 1 1 . 1 1 77 77 ASN H H 77 8.824 8.824 9.053 -0.229 25448 333 1 1 . 1 1 78 78 ASN N N 78 124.269 124.269 124.050 0.219 25448 334 1 1 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.841 0.505 25448 335 1 1 . 1 1 78 78 ASN CA C 78 52.124 52.124 52.917 -0.793 25448 336 1 1 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.948 -0.000 25448 337 1 1 . 1 1 78 78 ASN H H 78 8.685 8.685 8.865 -0.180 25448 338 1 1 . 1 1 79 79 SER N N 79 117.959 117.959 117.081 0.878 25448 339 1 1 . 1 1 79 79 SER HA H 79 4.112 4.112 4.170 -0.058 25448 340 1 1 . 1 1 79 79 SER CA C 79 62.669 62.669 61.011 1.658 25448 341 1 1 . 1 1 79 79 SER CB C 79 63.727 63.727 63.321 0.406 25448 342 1 1 . 1 1 79 79 SER H H 79 8.109 8.109 8.075 0.034 25448 343 1 1 . 1 1 80 80 LEU N N 80 121.272 121.272 120.826 0.446 25448 344 1 1 . 1 1 80 80 LEU HA H 80 4.470 4.470 3.992 0.478 25448 345 1 1 . 1 1 80 80 LEU CA C 80 55.542 55.542 55.993 -0.451 25448 346 1 1 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.108 0.392 25448 347 1 1 . 1 1 80 80 LEU H H 80 7.947 7.947 8.002 -0.055 25448 348 1 1 . 1 1 81 81 ASP N N 81 121.692 121.692 119.958 1.734 25448 349 1 1 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.334 0.756 25448 350 1 1 . 1 1 81 81 ASP CA C 81 56.604 56.604 57.011 -0.407 25448 351 1 1 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.032 -0.732 25448 352 1 1 . 1 1 81 81 ASP H H 81 8.294 8.294 7.744 0.550 25448 353 1 1 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.440 0.015 25448 354 1 1 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.826 0.074 25448 355 1 1 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.502 -0.735 25448 356 1 1 . 1 1 83 83 GLU N N 83 118.940 118.940 118.239 0.701 25448 357 1 1 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.029 0.124 25448 358 1 1 . 1 1 83 83 GLU CA C 83 56.870 56.870 56.901 -0.031 25448 359 1 1 . 1 1 83 83 GLU CB C 83 32.422 32.422 30.727 1.695 25448 360 1 1 . 1 1 83 83 GLU H H 83 7.476 7.476 7.705 -0.229 25448 361 1 1 . 1 1 84 84 TYR N N 84 119.225 119.225 118.486 0.739 25448 362 1 1 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.844 -0.078 25448 363 1 1 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.157 -1.234 25448 364 1 1 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.590 1.634 25448 365 1 1 . 1 1 84 84 TYR H H 84 8.207 8.207 7.921 0.286 25448 366 1 1 . 1 1 85 85 GLN N N 85 119.667 119.667 120.112 -0.445 25448 367 1 1 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.502 0.296 25448 368 1 1 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.642 -1.439 25448 369 1 1 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.420 0.946 25448 370 1 1 . 1 1 85 85 GLN H H 85 8.264 8.264 8.624 -0.360 25448 371 1 1 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.453 -0.031 25448 372 1 1 . 1 1 86 86 PRO CA C 86 62.611 62.611 62.914 -0.303 25448 373 1 1 . 1 1 86 86 PRO CB C 86 31.850 31.850 30.810 1.040 25448 374 1 1 . 1 1 87 87 ARG N N 87 121.150 121.150 124.363 -3.213 25448 375 1 1 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.402 0.003 25448 376 1 1 . 1 1 87 87 ARG CA C 87 55.600 55.600 53.796 1.804 25448 377 1 1 . 1 1 87 87 ARG CB C 87 29.301 29.301 29.547 -0.246 25448 378 1 1 . 1 1 87 87 ARG H H 87 8.254 8.254 7.927 0.327 25448 379 1 1 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.523 -0.076 25448 380 1 1 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.712 0.267 25448 381 1 1 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.358 -0.089 25448 382 1 1 . 1 1 89 89 VAL N N 89 125.682 125.682 126.364 -0.682 25448 383 1 1 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.644 -0.143 25448 384 1 1 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.822 1.589 25448 385 1 1 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.258 -0.623 25448 386 1 1 . 1 1 89 89 VAL H H 89 8.678 8.678 8.665 0.013 25448 387 1 1 . 1 1 90 90 GLU N N 90 117.092 117.092 119.266 -2.174 25448 388 1 1 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.081 -0.054 25448 389 1 1 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.288 0.727 25448 390 1 1 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.855 -0.222 25448 391 1 1 . 1 1 90 90 GLU H H 90 9.318 9.318 8.867 0.451 25448 392 1 1 . 1 1 91 91 VAL N N 91 119.967 119.967 119.932 0.035 25448 393 1 1 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.843 0.021 25448 394 1 1 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.285 -0.285 25448 395 1 1 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.110 0.791 25448 396 1 1 . 1 1 91 91 VAL H H 91 7.153 7.153 7.859 -0.706 25448 397 1 1 . 1 1 92 92 ILE N N 92 122.669 122.669 121.943 0.726 25448 398 1 1 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.883 -0.573 25448 399 1 1 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.553 1.158 25448 400 1 1 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.897 0.666 25448 401 1 1 . 1 1 92 92 ILE H H 92 8.004 8.004 7.329 0.675 25448 402 1 1 . 1 1 93 93 ILE N N 93 115.049 115.049 120.501 -5.452 25448 403 1 1 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.594 -0.062 25448 404 1 1 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.849 -0.764 25448 405 1 1 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.582 -0.419 25448 406 1 1 . 1 1 93 93 ILE H H 93 8.305 8.305 8.419 -0.114 25448 407 1 1 . 1 1 94 94 SER N N 94 115.196 115.196 116.709 -1.513 25448 408 1 1 . 1 1 94 94 SER HA H 94 4.101 4.101 4.126 -0.025 25448 409 1 1 . 1 1 94 94 SER CA C 94 62.300 62.300 62.445 -0.145 25448 410 1 1 . 1 1 94 94 SER H H 94 7.927 7.927 8.450 -0.523 25448 411 1 1 . 1 1 95 95 SER N N 95 117.891 117.891 118.597 -0.706 25448 412 1 1 . 1 1 95 95 SER HA H 95 4.209 4.209 4.147 0.062 25448 413 1 1 . 1 1 95 95 SER CA C 95 62.100 62.100 62.217 -0.117 25448 414 1 1 . 1 1 95 95 SER CB C 95 62.714 62.714 62.842 -0.128 25448 415 1 1 . 1 1 95 95 SER H H 95 8.174 8.174 8.204 -0.030 25448 416 1 1 . 1 1 96 96 ALA N N 96 123.830 123.830 124.472 -0.642 25448 417 1 1 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.063 -0.172 25448 418 1 1 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.362 -0.086 25448 419 1 1 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.306 1.642 25448 420 1 1 . 1 1 96 96 ALA H H 96 8.110 8.110 8.214 -0.104 25448 421 1 1 . 1 1 97 97 LYS N N 97 115.893 115.893 117.588 -1.695 25448 422 1 1 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.967 -0.159 25448 423 1 1 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.539 0.810 25448 424 1 1 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.403 0.295 25448 425 1 1 . 1 1 97 97 LYS H H 97 8.218 8.218 8.218 -0.000 25448 426 1 1 . 1 1 98 98 GLU N N 98 117.006 117.006 116.639 0.367 25448 427 1 1 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.109 0.031 25448 428 1 1 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.044 0.178 25448 429 1 1 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.730 0.046 25448 430 1 1 . 1 1 98 98 GLU H H 98 7.474 7.474 8.010 -0.536 25448 431 1 1 . 1 1 99 99 MET N N 99 114.572 114.572 117.238 -2.666 25448 432 1 1 . 1 1 99 99 MET HA H 99 4.533 4.533 4.368 0.165 25448 433 1 1 . 1 1 99 99 MET CA C 99 55.292 55.292 55.900 -0.608 25448 434 1 1 . 1 1 99 99 MET CB C 99 33.777 33.777 33.422 0.355 25448 435 1 1 . 1 1 99 99 MET H H 99 7.378 7.378 8.100 -0.722 25448 436 1 1 . 1 1 100 100 VAL N N 100 119.104 119.104 118.477 0.627 25448 437 1 1 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.493 -0.227 25448 438 1 1 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.098 0.949 25448 439 1 1 . 1 1 100 100 VAL CB C 100 31.325 31.325 30.970 0.355 25448 440 1 1 . 1 1 100 100 VAL H H 100 7.056 7.056 8.075 -1.019 25448 441 1 1 . 1 1 101 101 GLY N N 101 116.779 116.779 114.764 2.015 25448 442 1 1 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.681 -0.030 25448 443 1 1 . 1 1 101 101 GLY H H 101 8.979 8.979 8.772 0.207 25448 444 1 1 . 1 1 102 102 GLN N N 102 119.990 119.990 120.706 -0.716 25448 445 1 1 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.359 -0.162 25448 446 1 1 . 1 1 102 102 GLN C C 102 174.994 174.994 175.390 -0.396 25448 447 1 1 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.572 1.091 25448 448 1 1 . 1 1 102 102 GLN CB C 102 28.936 28.936 29.991 -1.055 25448 449 1 1 . 1 1 102 102 GLN H H 102 8.103 8.103 8.109 -0.006 25448 450 1 1 . 1 1 103 103 LYS N N 103 120.261 120.261 123.089 -2.828 25448 451 1 1 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.040 0.226 25448 452 1 1 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.535 -0.893 25448 453 1 1 . 1 1 103 103 LYS CB C 103 34.196 34.196 34.470 -0.274 25448 454 1 1 . 1 1 103 103 LYS H H 103 8.310 8.310 8.426 -0.116 25448 455 1 1 . 1 1 104 104 MET N N 104 119.868 119.868 119.343 0.525 25448 456 1 1 . 1 1 104 104 MET HA H 104 4.692 4.692 4.788 -0.096 25448 457 1 1 . 1 1 104 104 MET CA C 104 54.276 54.276 54.261 0.015 25448 458 1 1 . 1 1 104 104 MET CB C 104 36.831 36.831 37.038 -0.207 25448 459 1 1 . 1 1 104 104 MET H H 104 8.556 8.556 8.718 -0.162 25448 460 1 1 . 1 1 105 105 LYS N N 105 120.932 120.932 119.948 0.984 25448 461 1 1 . 1 1 105 105 LYS HA H 105 4.366 4.366 3.884 0.482 25448 462 1 1 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.568 0.532 25448 463 1 1 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.555 0.335 25448 464 1 1 . 1 1 105 105 LYS H H 105 8.257 8.257 8.161 0.096 25448 465 1 1 . 1 1 106 106 TYR N N 106 122.600 122.600 116.750 5.850 25448 466 1 1 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.403 0.015 25448 467 1 1 . 1 1 106 106 TYR CA C 106 56.726 56.726 58.081 -1.355 25448 468 1 1 . 1 1 106 106 TYR CB C 106 38.561 38.561 38.668 -0.107 25448 469 1 1 . 1 1 106 106 TYR H H 106 8.378 8.378 7.773 0.605 25448 470 1 1 . 1 1 107 107 SER N N 107 116.904 116.904 117.074 -0.170 25448 471 1 1 . 1 1 107 107 SER CA C 107 56.717 56.717 61.815 -5.098 25448 472 1 1 . 1 1 107 107 SER CB C 107 63.983 63.983 62.639 1.345 25448 473 1 1 . 1 1 107 107 SER H H 107 8.044 8.044 8.496 -0.452 25448 474 1 1 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.747 0.266 25448 475 1 1 . 1 1 109 109 VAL CA C 109 64.307 64.307 63.182 1.125 25448 476 1 1 . 1 1 109 109 VAL CB C 109 32.000 32.000 31.814 0.186 25448 477 1 1 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.221 0.151 25448 478 1 1 . 1 1 111 111 ARG CA C 111 57.100 57.100 57.702 -0.602 25448 479 1 1 . 1 1 111 111 ARG CB C 111 28.110 28.110 30.134 -2.024 25448 480 1 1 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.288 0.200 25448 481 1 1 . 1 1 113 113 CYS CA C 113 61.609 61.609 62.100 -0.491 25448 482 1 1 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.768 -0.968 25448 483 1 1 . 1 1 114 114 GLU N N 114 125.287 125.287 123.029 2.258 25448 484 1 1 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.753 -0.314 25448 485 1 1 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.059 -0.390 25448 486 1 1 . 1 1 114 114 GLU CB C 114 30.058 30.058 27.471 2.587 25448 487 1 1 . 1 1 114 114 GLU H H 114 7.720 7.720 8.911 -1.191 25448 488 1 1 . 1 1 115 115 HIS N N 115 119.008 119.008 120.508 -1.500 25448 489 1 1 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.250 0.147 25448 490 1 1 . 1 1 115 115 HIS CA C 115 58.460 58.460 59.431 -0.972 25448 491 1 1 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.480 0.581 25448 492 1 1 . 1 1 115 115 HIS H H 115 8.051 8.051 7.897 0.154 25448 493 1 1 . 1 1 116 116 PHE N N 116 117.059 117.059 121.720 -4.661 25448 494 1 1 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.130 0.218 25448 495 1 1 . 1 1 116 116 PHE CA C 116 61.077 61.077 61.038 0.039 25448 496 1 1 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.861 0.737 25448 497 1 1 . 1 1 116 116 PHE H H 116 8.168 8.168 8.483 -0.315 25448 498 1 1 . 1 1 117 117 VAL N N 117 107.857 107.857 115.111 -7.254 25448 499 1 1 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.199 0.666 25448 500 1 1 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.236 -0.645 25448 501 1 1 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.244 -0.671 25448 502 1 1 . 1 1 117 117 VAL H H 117 7.080 7.080 8.194 -1.114 25448 503 1 1 . 1 1 118 118 THR N N 118 117.382 117.382 117.533 -0.151 25448 504 1 1 . 1 1 118 118 THR HA H 118 4.046 4.046 3.903 0.143 25448 505 1 1 . 1 1 118 118 THR CA C 118 66.745 66.745 67.144 -0.399 25448 506 1 1 . 1 1 118 118 THR CB C 118 68.185 68.185 68.324 -0.139 25448 507 1 1 . 1 1 118 118 THR H H 118 8.465 8.465 8.227 0.238 25448 508 1 1 . 1 1 119 119 GLN N N 119 121.900 121.900 120.866 1.034 25448 509 1 1 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.144 -0.259 25448 510 1 1 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.828 0.174 25448 511 1 1 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.381 -0.770 25448 512 1 1 . 1 1 119 119 GLN H H 119 8.074 8.074 7.799 0.275 25448 513 1 1 . 1 1 120 120 LEU N N 120 117.899 117.899 118.569 -0.670 25448 514 1 1 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.968 -0.133 25448 515 1 1 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.820 -0.393 25448 516 1 1 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.312 0.922 25448 517 1 1 . 1 1 120 120 LEU H H 120 6.829 6.829 7.481 -0.652 25448 518 1 1 . 1 1 121 121 ARG N N 121 117.250 117.250 118.529 -1.279 25448 519 1 1 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.139 -0.219 25448 520 1 1 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.638 0.405 25448 521 1 1 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.800 -0.544 25448 522 1 1 . 1 1 121 121 ARG H H 121 7.677 7.677 7.531 0.146 25448 523 1 1 . 1 1 122 122 TYR N N 122 111.508 111.508 120.634 -9.126 25448 524 1 1 . 1 1 122 122 TYR HA H 122 4.640 4.640 3.727 0.913 25448 525 1 1 . 1 1 122 122 TYR CA C 122 58.522 58.522 59.890 -1.368 25448 526 1 1 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.333 1.341 25448 527 1 1 . 1 1 122 122 TYR H H 122 8.114 8.114 8.676 -0.562 25448 528 1 1 . 1 1 123 123 GLY N N 123 109.399 109.399 104.005 5.394 25448 529 1 1 . 1 1 123 123 GLY CA C 123 45.341 45.341 43.984 1.357 25448 530 1 1 . 1 1 123 123 GLY H H 123 8.032 8.032 7.694 0.338 25448 531 1 1 . 1 1 124 124 LYS N N 124 117.936 117.936 120.526 -2.590 25448 532 1 1 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.035 0.317 25448 533 1 1 . 1 1 124 124 LYS CA C 124 55.200 55.200 58.204 -3.004 25448 534 1 1 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.647 1.351 25448 535 1 1 . 1 1 124 124 LYS H H 124 7.402 7.402 7.434 -0.032 25448 536 1 2 . 1 1 3 3 SER N N 3 113.812 113.812 117.086 -3.274 25448 537 1 2 . 1 1 3 3 SER HA H 3 4.697 4.697 4.599 0.098 25448 538 1 2 . 1 1 3 3 SER CA C 3 58.996 58.996 57.183 1.813 25448 539 1 2 . 1 1 3 3 SER CB C 3 63.800 63.800 63.226 0.574 25448 540 1 2 . 1 1 3 3 SER H H 3 7.587 7.587 8.362 -0.775 25448 541 1 2 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.602 -0.189 25448 542 1 2 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.542 -0.188 25448 543 1 2 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.332 -0.432 25448 544 1 2 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.699 -0.142 25448 545 1 2 . 1 1 5 5 HIS CA C 5 56.230 56.230 56.678 -0.448 25448 546 1 2 . 1 1 5 5 HIS CB C 5 30.500 30.500 29.891 0.609 25448 547 1 2 . 1 1 5 5 HIS H H 5 6.984 6.984 8.611 -1.627 25448 548 1 2 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.532 -0.244 25448 549 1 2 . 1 1 6 6 GLN CA C 6 55.174 55.174 55.336 -0.162 25448 550 1 2 . 1 1 6 6 GLN CB C 6 30.042 30.042 31.296 -1.254 25448 551 1 2 . 1 1 7 7 GLU N N 7 124.477 124.477 124.043 0.434 25448 552 1 2 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.727 -0.238 25448 553 1 2 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.551 0.560 25448 554 1 2 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.553 -1.641 25448 555 1 2 . 1 1 7 7 GLU H H 7 8.353 8.353 8.427 -0.074 25448 556 1 2 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.456 -0.112 25448 557 1 2 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.152 0.246 25448 558 1 2 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.381 -0.981 25448 559 1 2 . 1 1 9 9 LYS N N 9 122.328 122.328 119.528 2.800 25448 560 1 2 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.856 0.017 25448 561 1 2 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.945 0.206 25448 562 1 2 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.701 -1.562 25448 563 1 2 . 1 1 9 9 LYS H H 9 9.336 9.336 8.938 0.398 25448 564 1 2 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.344 -0.421 25448 565 1 2 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.377 0.157 25448 566 1 2 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.580 0.049 25448 567 1 2 . 1 1 11 11 GLY N N 11 112.758 112.758 114.382 -1.624 25448 568 1 2 . 1 1 11 11 GLY CA C 11 45.182 45.182 45.151 0.031 25448 569 1 2 . 1 1 11 11 GLY H H 11 9.359 9.359 9.186 0.173 25448 570 1 2 . 1 1 12 12 ASP N N 12 120.500 120.500 123.447 -2.947 25448 571 1 2 . 1 1 12 12 ASP HA H 12 4.870 4.870 5.066 -0.196 25448 572 1 2 . 1 1 12 12 ASP CA C 12 55.211 55.211 54.822 0.389 25448 573 1 2 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.316 1.630 25448 574 1 2 . 1 1 12 12 ASP H H 12 8.277 8.277 7.915 0.362 25448 575 1 2 . 1 1 13 13 LEU N N 13 119.594 119.594 122.970 -3.376 25448 576 1 2 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.901 0.076 25448 577 1 2 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.325 -0.336 25448 578 1 2 . 1 1 13 13 LEU CB C 13 41.198 41.198 41.613 -0.415 25448 579 1 2 . 1 1 13 13 LEU H H 13 9.103 9.103 9.221 -0.118 25448 580 1 2 . 1 1 14 14 ILE N N 14 121.352 121.352 124.802 -3.450 25448 581 1 2 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.819 -0.209 25448 582 1 2 . 1 1 14 14 ILE CA C 14 58.178 58.178 60.090 -1.911 25448 583 1 2 . 1 1 14 14 ILE CB C 14 39.213 39.213 40.496 -1.283 25448 584 1 2 . 1 1 14 14 ILE H H 14 9.221 9.221 9.350 -0.129 25448 585 1 2 . 1 1 15 15 GLU N N 15 129.555 129.555 126.937 2.618 25448 586 1 2 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.110 -0.892 25448 587 1 2 . 1 1 15 15 GLU CA C 15 54.448 54.448 55.339 -0.890 25448 588 1 2 . 1 1 15 15 GLU CB C 15 31.783 31.783 31.129 0.654 25448 589 1 2 . 1 1 15 15 GLU H H 15 8.625 8.625 8.911 -0.286 25448 590 1 2 . 1 1 16 16 ILE N N 16 125.258 125.258 122.402 2.856 25448 591 1 2 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.356 -0.247 25448 592 1 2 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.726 0.774 25448 593 1 2 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.224 0.177 25448 594 1 2 . 1 1 16 16 ILE H H 16 8.557 8.557 8.569 -0.012 25448 595 1 2 . 1 1 17 17 PHE N N 17 127.058 127.058 126.634 0.424 25448 596 1 2 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.639 -0.137 25448 597 1 2 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.441 2.498 25448 598 1 2 . 1 1 17 17 PHE CB C 17 37.496 37.496 36.735 0.761 25448 599 1 2 . 1 1 17 17 PHE H H 17 8.500 8.500 8.813 -0.313 25448 600 1 2 . 1 1 18 18 ARG N N 18 124.569 124.569 121.495 3.074 25448 601 1 2 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.158 0.492 25448 602 1 2 . 1 1 18 18 ARG CA C 18 54.596 54.596 55.844 -1.248 25448 603 1 2 . 1 1 18 18 ARG CB C 18 30.206 30.206 30.959 -0.753 25448 604 1 2 . 1 1 18 18 ARG H H 18 7.686 7.686 7.520 0.166 25448 605 1 2 . 1 1 19 19 LEU N N 19 121.049 121.049 125.075 -4.026 25448 606 1 2 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.156 0.268 25448 607 1 2 . 1 1 19 19 LEU CA C 19 56.123 56.123 56.160 -0.037 25448 608 1 2 . 1 1 19 19 LEU CB C 19 40.296 40.296 42.365 -2.069 25448 609 1 2 . 1 1 19 19 LEU H H 19 8.103 8.103 8.528 -0.425 25448 610 1 2 . 1 1 20 20 GLY N N 20 115.623 115.623 114.465 1.158 25448 611 1 2 . 1 1 20 20 GLY CA C 20 45.736 45.736 45.733 0.002 25448 612 1 2 . 1 1 20 20 GLY H H 20 8.686 8.686 8.845 -0.159 25448 613 1 2 . 1 1 21 21 TYR N N 21 115.905 115.905 121.973 -6.068 25448 614 1 2 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.824 -0.064 25448 615 1 2 . 1 1 21 21 TYR CA C 21 56.507 56.507 56.494 0.013 25448 616 1 2 . 1 1 21 21 TYR CB C 21 38.631 38.631 41.591 -2.960 25448 617 1 2 . 1 1 21 21 TYR H H 21 7.433 7.433 7.797 -0.364 25448 618 1 2 . 1 1 22 22 GLU N N 22 116.649 116.649 122.010 -5.361 25448 619 1 2 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.533 0.627 25448 620 1 2 . 1 1 22 22 GLU CA C 22 56.255 56.255 57.496 -1.241 25448 621 1 2 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.133 2.034 25448 622 1 2 . 1 1 22 22 GLU H H 22 8.139 8.139 8.908 -0.769 25448 623 1 2 . 1 1 23 23 HIS N N 23 122.171 122.171 118.125 4.046 25448 624 1 2 . 1 1 23 23 HIS HA H 23 5.588 5.588 5.070 0.518 25448 625 1 2 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.764 -0.603 25448 626 1 2 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.795 0.575 25448 627 1 2 . 1 1 23 23 HIS H H 23 8.943 8.943 8.769 0.174 25448 628 1 2 . 1 1 24 24 TRP N N 24 124.412 124.412 119.041 5.371 25448 629 1 2 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.699 -0.002 25448 630 1 2 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.429 -0.523 25448 631 1 2 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.996 -1.840 25448 632 1 2 . 1 1 24 24 TRP H H 24 6.764 6.764 8.881 -2.117 25448 633 1 2 . 1 1 25 25 ALA N N 25 121.149 121.149 122.295 -1.146 25448 634 1 2 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.265 -0.404 25448 635 1 2 . 1 1 25 25 ALA CA C 25 50.352 50.352 50.840 -0.488 25448 636 1 2 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.397 -0.444 25448 637 1 2 . 1 1 25 25 ALA H H 25 9.336 9.336 9.153 0.183 25448 638 1 2 . 1 1 26 26 LEU N N 26 122.472 122.472 123.277 -0.805 25448 639 1 2 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.329 -0.069 25448 640 1 2 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.846 0.795 25448 641 1 2 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.698 1.723 25448 642 1 2 . 1 1 26 26 LEU H H 26 8.835 8.835 9.043 -0.208 25448 643 1 2 . 1 1 27 27 TYR N N 27 128.215 128.215 129.035 -0.820 25448 644 1 2 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.719 0.033 25448 645 1 2 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.573 1.229 25448 646 1 2 . 1 1 27 27 TYR CB C 27 38.670 38.670 40.041 -1.371 25448 647 1 2 . 1 1 27 27 TYR H H 27 9.750 9.750 9.232 0.518 25448 648 1 2 . 1 1 28 28 ILE N N 28 119.796 119.796 121.658 -1.862 25448 649 1 2 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.533 0.040 25448 650 1 2 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.292 0.526 25448 651 1 2 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.142 -0.242 25448 652 1 2 . 1 1 28 28 ILE H H 28 8.196 8.196 8.071 0.125 25448 653 1 2 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.397 -0.397 25448 654 1 2 . 1 1 29 29 GLY H H 29 6.584 6.584 6.827 -0.243 25448 655 1 2 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.328 0.094 25448 656 1 2 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.114 0.526 25448 657 1 2 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.235 0.018 25448 658 1 2 . 1 1 30 30 ASP H H 30 6.837 6.837 8.863 -2.026 25448 659 1 2 . 1 1 31 31 GLY N N 31 124.953 124.953 102.481 22.472 25448 660 1 2 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.137 0.401 25448 661 1 2 . 1 1 31 31 GLY H H 31 8.120 8.120 7.842 0.278 25448 662 1 2 . 1 1 32 32 TYR N N 32 120.196 120.196 121.180 -0.984 25448 663 1 2 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.004 -0.074 25448 664 1 2 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.675 0.113 25448 665 1 2 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.391 1.604 25448 666 1 2 . 1 1 32 32 TYR H H 32 7.843 7.843 7.649 0.194 25448 667 1 2 . 1 1 33 33 VAL N N 33 109.892 109.892 113.377 -3.485 25448 668 1 2 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.163 0.303 25448 669 1 2 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.382 -1.922 25448 670 1 2 . 1 1 33 33 VAL CB C 33 35.157 35.157 36.039 -0.882 25448 671 1 2 . 1 1 33 33 VAL H H 33 9.242 9.242 9.267 -0.025 25448 672 1 2 . 1 1 34 34 ILE N N 34 119.424 119.424 121.521 -2.097 25448 673 1 2 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.257 0.298 25448 674 1 2 . 1 1 34 34 ILE CA C 34 60.331 60.331 59.869 0.462 25448 675 1 2 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.748 0.183 25448 676 1 2 . 1 1 34 34 ILE H H 34 9.084 9.084 9.029 0.055 25448 677 1 2 . 1 1 35 35 HIS N N 35 123.118 123.118 121.046 2.072 25448 678 1 2 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.320 -0.162 25448 679 1 2 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.443 -0.225 25448 680 1 2 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.720 2.280 25448 681 1 2 . 1 1 35 35 HIS H H 35 9.110 9.110 9.119 -0.009 25448 682 1 2 . 1 1 36 36 LEU N N 36 123.704 123.704 123.372 0.332 25448 683 1 2 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.440 -0.356 25448 684 1 2 . 1 1 36 36 LEU CA C 36 53.682 53.682 54.227 -0.545 25448 685 1 2 . 1 1 36 36 LEU CB C 36 41.631 41.631 43.561 -1.930 25448 686 1 2 . 1 1 36 36 LEU H H 36 8.991 8.991 8.752 0.239 25448 687 1 2 . 1 1 37 37 ALA N N 37 129.765 129.765 130.769 -1.004 25448 688 1 2 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.998 -0.671 25448 689 1 2 . 1 1 37 37 ALA CA C 37 49.698 49.698 49.052 0.646 25448 690 1 2 . 1 1 37 37 ALA CB C 37 19.428 19.428 19.438 -0.010 25448 691 1 2 . 1 1 37 37 ALA H H 37 8.050 8.050 8.751 -0.701 25448 692 1 2 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.633 -0.629 25448 693 1 2 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.981 -1.181 25448 694 1 2 . 1 1 38 38 PRO CB C 38 30.528 30.528 30.845 -0.317 25448 695 1 2 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.419 -0.045 25448 696 1 2 . 1 1 39 39 PRO CA C 39 62.900 62.900 63.563 -0.663 25448 697 1 2 . 1 1 39 39 PRO CB C 39 32.000 32.000 32.209 -0.209 25448 698 1 2 . 1 1 40 40 SER N N 40 114.906 114.906 118.920 -4.014 25448 699 1 2 . 1 1 40 40 SER HA H 40 4.326 4.326 4.457 -0.131 25448 700 1 2 . 1 1 40 40 SER CA C 40 58.700 58.700 59.184 -0.484 25448 701 1 2 . 1 1 40 40 SER CB C 40 64.004 64.004 63.664 0.340 25448 702 1 2 . 1 1 40 40 SER H H 40 8.184 8.184 8.708 -0.524 25448 703 1 2 . 1 1 41 41 GLU N N 41 121.221 121.221 119.030 2.191 25448 704 1 2 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.433 -0.172 25448 705 1 2 . 1 1 41 41 GLU CA C 41 56.424 56.424 56.057 0.367 25448 706 1 2 . 1 1 41 41 GLU CB C 41 30.514 30.514 31.694 -1.180 25448 707 1 2 . 1 1 41 41 GLU H H 41 8.401 8.401 7.571 0.830 25448 708 1 2 . 1 1 42 42 TYR N N 42 121.900 121.900 123.182 -1.282 25448 709 1 2 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.508 0.272 25448 710 1 2 . 1 1 42 42 TYR CA C 42 55.700 55.700 57.660 -1.960 25448 711 1 2 . 1 1 42 42 TYR CB C 42 38.400 38.400 38.968 -0.568 25448 712 1 2 . 1 1 42 42 TYR H H 42 8.117 8.117 8.553 -0.436 25448 713 1 2 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.185 0.218 25448 714 1 2 . 1 1 43 43 PRO CA C 43 63.480 63.480 63.497 -0.017 25448 715 1 2 . 1 1 43 43 PRO CB C 43 31.800 31.800 31.956 -0.156 25448 716 1 2 . 1 1 44 44 GLY N N 44 109.030 109.030 104.860 4.170 25448 717 1 2 . 1 1 44 44 GLY CA C 44 45.244 45.244 43.849 1.395 25448 718 1 2 . 1 1 44 44 GLY H H 44 8.001 8.001 7.332 0.669 25448 719 1 2 . 1 1 45 45 ALA N N 45 123.500 123.500 121.880 1.620 25448 720 1 2 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.201 0.111 25448 721 1 2 . 1 1 45 45 ALA CA C 45 52.853 52.853 52.775 0.078 25448 722 1 2 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.575 -0.253 25448 723 1 2 . 1 1 45 45 ALA H H 45 8.082 8.082 8.496 -0.414 25448 724 1 2 . 1 1 46 46 GLY N N 46 108.151 108.151 106.585 1.566 25448 725 1 2 . 1 1 46 46 GLY CA C 46 45.460 45.460 44.808 0.652 25448 726 1 2 . 1 1 46 46 GLY H H 46 8.408 8.408 7.702 0.706 25448 727 1 2 . 1 1 48 48 SER N N 48 116.904 116.904 115.996 0.908 25448 728 1 2 . 1 1 48 48 SER HA H 48 4.700 4.700 4.329 0.371 25448 729 1 2 . 1 1 48 48 SER H H 48 8.044 8.044 8.390 -0.346 25448 730 1 2 . 1 1 49 49 SER HA H 49 4.456 4.456 4.613 -0.157 25448 731 1 2 . 1 1 49 49 SER CA C 49 58.713 58.713 59.016 -0.303 25448 732 1 2 . 1 1 49 49 SER CB C 49 64.000 64.000 65.247 -1.247 25448 733 1 2 . 1 1 50 50 VAL N N 50 120.352 120.352 119.129 1.223 25448 734 1 2 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.597 0.436 25448 735 1 2 . 1 1 50 50 VAL CA C 50 62.816 62.816 65.908 -3.092 25448 736 1 2 . 1 1 50 50 VAL CB C 50 32.416 32.416 30.373 2.043 25448 737 1 2 . 1 1 50 50 VAL H H 50 7.890 7.890 8.781 -0.891 25448 738 1 2 . 1 1 51 51 PHE N N 51 121.600 121.600 120.927 0.673 25448 739 1 2 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.352 0.224 25448 740 1 2 . 1 1 51 51 PHE CA C 51 58.198 58.198 60.190 -1.992 25448 741 1 2 . 1 1 51 51 PHE CB C 51 39.470 39.470 39.579 -0.109 25448 742 1 2 . 1 1 51 51 PHE H H 51 7.989 7.989 8.113 -0.124 25448 743 1 2 . 1 1 52 52 SER N N 52 116.521 116.521 112.382 4.139 25448 744 1 2 . 1 1 52 52 SER HA H 52 4.429 4.429 4.352 0.077 25448 745 1 2 . 1 1 52 52 SER C C 52 174.445 174.445 174.683 -0.238 25448 746 1 2 . 1 1 52 52 SER CA C 52 58.365 58.365 57.596 0.769 25448 747 1 2 . 1 1 52 52 SER CB C 52 64.018 64.018 63.521 0.497 25448 748 1 2 . 1 1 52 52 SER H H 52 8.018 8.018 8.138 -0.120 25448 749 1 2 . 1 1 53 53 VAL N N 53 120.571 120.571 119.326 1.245 25448 750 1 2 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.013 0.090 25448 751 1 2 . 1 1 53 53 VAL CA C 53 62.979 62.979 63.521 -0.542 25448 752 1 2 . 1 1 53 53 VAL CB C 53 32.416 32.416 32.366 0.050 25448 753 1 2 . 1 1 53 53 VAL H H 53 7.959 7.959 7.390 0.569 25448 754 1 2 . 1 1 54 54 LEU N N 54 123.703 123.703 125.772 -2.069 25448 755 1 2 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.607 -0.241 25448 756 1 2 . 1 1 54 54 LEU CA C 54 55.500 55.500 53.078 2.422 25448 757 1 2 . 1 1 54 54 LEU CB C 54 42.293 42.293 44.417 -2.124 25448 758 1 2 . 1 1 54 54 LEU H H 54 8.095 8.095 7.779 0.316 25448 759 1 2 . 1 1 55 55 SER N N 55 115.309 115.309 115.935 -0.626 25448 760 1 2 . 1 1 55 55 SER HA H 55 4.399 4.399 4.335 0.064 25448 761 1 2 . 1 1 55 55 SER CA C 55 58.365 58.365 58.078 0.287 25448 762 1 2 . 1 1 55 55 SER CB C 55 64.110 64.110 63.614 0.496 25448 763 1 2 . 1 1 55 55 SER H H 55 8.063 8.063 8.181 -0.118 25448 764 1 2 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.710 0.208 25448 765 1 2 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.279 -0.128 25448 766 1 2 . 1 1 56 56 ASN CB C 56 39.339 39.339 39.397 -0.058 25448 767 1 2 . 1 1 57 57 SER N N 57 115.102 115.102 112.067 3.035 25448 768 1 2 . 1 1 57 57 SER HA H 57 4.694 4.694 4.917 -0.223 25448 769 1 2 . 1 1 57 57 SER CA C 57 58.307 58.307 57.240 1.067 25448 770 1 2 . 1 1 57 57 SER CB C 57 64.838 64.838 66.602 -1.764 25448 771 1 2 . 1 1 57 57 SER H H 57 8.065 8.065 8.132 -0.067 25448 772 1 2 . 1 1 58 58 ALA N N 58 125.610 125.610 122.319 3.291 25448 773 1 2 . 1 1 58 58 ALA HA H 58 4.494 4.494 5.094 -0.600 25448 774 1 2 . 1 1 58 58 ALA CA C 58 51.281 51.281 49.994 1.287 25448 775 1 2 . 1 1 58 58 ALA CB C 58 22.479 22.479 22.073 0.406 25448 776 1 2 . 1 1 58 58 ALA H H 58 8.548 8.548 8.853 -0.305 25448 777 1 2 . 1 1 59 59 GLU N N 59 120.190 120.190 119.651 0.539 25448 778 1 2 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.128 -0.095 25448 779 1 2 . 1 1 59 59 GLU CA C 59 54.004 54.004 54.162 -0.158 25448 780 1 2 . 1 1 59 59 GLU CB C 59 34.292 34.292 34.245 0.048 25448 781 1 2 . 1 1 59 59 GLU H H 59 8.116 8.116 8.432 -0.316 25448 782 1 2 . 1 1 60 60 VAL N N 60 125.380 125.380 125.560 -0.180 25448 783 1 2 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.051 0.287 25448 784 1 2 . 1 1 60 60 VAL CA C 60 62.784 62.784 62.581 0.203 25448 785 1 2 . 1 1 60 60 VAL CB C 60 30.756 30.756 30.818 -0.062 25448 786 1 2 . 1 1 60 60 VAL H H 60 8.531 8.531 8.880 -0.349 25448 787 1 2 . 1 1 61 61 LYS N N 61 129.548 129.548 126.602 2.946 25448 788 1 2 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.638 0.262 25448 789 1 2 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.320 1.264 25448 790 1 2 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.003 1.031 25448 791 1 2 . 1 1 61 61 LYS H H 61 9.068 9.068 8.793 0.275 25448 792 1 2 . 1 1 62 62 ARG N N 62 123.653 123.653 122.283 1.370 25448 793 1 2 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.349 0.353 25448 794 1 2 . 1 1 62 62 ARG CA C 62 54.386 54.386 54.901 -0.515 25448 795 1 2 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.562 -0.604 25448 796 1 2 . 1 1 62 62 ARG H H 62 8.749 8.749 8.514 0.235 25448 797 1 2 . 1 1 63 63 GLU N N 63 125.033 125.033 123.627 1.406 25448 798 1 2 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.778 0.220 25448 799 1 2 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.928 -0.050 25448 800 1 2 . 1 1 63 63 GLU CB C 63 36.983 36.983 33.965 3.018 25448 801 1 2 . 1 1 63 63 GLU H H 63 8.973 8.973 9.162 -0.189 25448 802 1 2 . 1 1 64 64 ARG N N 64 121.855 121.855 119.826 2.029 25448 803 1 2 . 1 1 64 64 ARG HA H 64 3.900 3.900 3.947 -0.047 25448 804 1 2 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.869 0.031 25448 805 1 2 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.182 -0.636 25448 806 1 2 . 1 1 64 64 ARG H H 64 9.273 9.273 8.549 0.724 25448 807 1 2 . 1 1 65 65 LEU N N 65 124.611 124.611 126.585 -1.974 25448 808 1 2 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.816 -0.246 25448 809 1 2 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.634 0.376 25448 810 1 2 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.897 -0.174 25448 811 1 2 . 1 1 65 65 LEU H H 65 8.823 8.823 8.873 -0.050 25448 812 1 2 . 1 1 66 66 GLU N N 66 115.188 115.188 118.606 -3.418 25448 813 1 2 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.737 0.098 25448 814 1 2 . 1 1 66 66 GLU CA C 66 59.654 59.654 60.050 -0.396 25448 815 1 2 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.605 0.555 25448 816 1 2 . 1 1 66 66 GLU H H 66 9.360 9.360 8.710 0.650 25448 817 1 2 . 1 1 67 67 ASP N N 67 118.590 118.590 118.732 -0.142 25448 818 1 2 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.380 0.080 25448 819 1 2 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.573 -0.006 25448 820 1 2 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.682 -0.012 25448 821 1 2 . 1 1 67 67 ASP H H 67 6.806 6.806 8.174 -1.368 25448 822 1 2 . 1 1 68 68 VAL N N 68 119.985 119.985 118.267 1.718 25448 823 1 2 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.656 -0.040 25448 824 1 2 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.265 -0.195 25448 825 1 2 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.991 0.176 25448 826 1 2 . 1 1 68 68 VAL H H 68 7.414 7.414 7.978 -0.564 25448 827 1 2 . 1 1 69 69 VAL N N 69 116.972 116.972 113.414 3.558 25448 828 1 2 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.726 -0.224 25448 829 1 2 . 1 1 69 69 VAL CA C 69 65.337 65.337 63.516 1.821 25448 830 1 2 . 1 1 69 69 VAL CB C 69 32.036 32.036 31.703 0.333 25448 831 1 2 . 1 1 69 69 VAL H H 69 8.261 8.261 8.067 0.194 25448 832 1 2 . 1 1 70 70 GLY N N 70 107.311 107.311 109.382 -2.071 25448 833 1 2 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.491 1.119 25448 834 1 2 . 1 1 70 70 GLY H H 70 7.395 7.395 8.265 -0.870 25448 835 1 2 . 1 1 71 71 GLY N N 71 110.582 110.582 110.687 -0.105 25448 836 1 2 . 1 1 71 71 GLY CA C 71 45.176 45.176 44.599 0.577 25448 837 1 2 . 1 1 71 71 GLY H H 71 8.831 8.831 8.500 0.331 25448 838 1 2 . 1 1 72 72 CYS N N 72 118.742 118.742 118.811 -0.069 25448 839 1 2 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.376 0.122 25448 840 1 2 . 1 1 72 72 CYS CA C 72 60.154 60.154 60.130 0.024 25448 841 1 2 . 1 1 72 72 CYS CB C 72 29.295 29.295 28.649 0.646 25448 842 1 2 . 1 1 72 72 CYS H H 72 7.613 7.613 7.616 -0.003 25448 843 1 2 . 1 1 73 73 CYS N N 73 120.205 120.205 122.718 -2.513 25448 844 1 2 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.561 -0.030 25448 845 1 2 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.819 -0.027 25448 846 1 2 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.887 -0.841 25448 847 1 2 . 1 1 73 73 CYS H H 73 9.007 9.007 8.943 0.064 25448 848 1 2 . 1 1 74 74 TYR N N 74 119.008 119.008 117.051 1.957 25448 849 1 2 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.512 0.085 25448 850 1 2 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.556 -0.966 25448 851 1 2 . 1 1 74 74 TYR CB C 74 41.876 41.876 40.971 0.904 25448 852 1 2 . 1 1 74 74 TYR H H 74 8.141 8.141 8.311 -0.170 25448 853 1 2 . 1 1 75 75 ARG N N 75 115.457 115.457 117.869 -2.412 25448 854 1 2 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.670 -0.031 25448 855 1 2 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.853 -0.858 25448 856 1 2 . 1 1 75 75 ARG CB C 75 33.235 33.235 34.138 -0.903 25448 857 1 2 . 1 1 75 75 ARG H H 75 9.008 9.008 9.068 -0.060 25448 858 1 2 . 1 1 76 76 VAL N N 76 123.071 123.071 122.296 0.775 25448 859 1 2 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.532 0.031 25448 860 1 2 . 1 1 76 76 VAL CA C 76 62.968 62.968 62.358 0.610 25448 861 1 2 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.422 -0.458 25448 862 1 2 . 1 1 76 76 VAL H H 76 8.511 8.511 9.298 -0.787 25448 863 1 2 . 1 1 77 77 ASN N N 77 126.125 126.125 125.827 0.298 25448 864 1 2 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.883 -0.028 25448 865 1 2 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.931 -0.860 25448 866 1 2 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.221 -0.581 25448 867 1 2 . 1 1 77 77 ASN H H 77 8.824 8.824 9.065 -0.241 25448 868 1 2 . 1 1 78 78 ASN N N 78 124.269 124.269 123.798 0.471 25448 869 1 2 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.879 0.467 25448 870 1 2 . 1 1 78 78 ASN CA C 78 52.124 52.124 53.032 -0.908 25448 871 1 2 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.800 0.149 25448 872 1 2 . 1 1 78 78 ASN H H 78 8.685 8.685 8.884 -0.199 25448 873 1 2 . 1 1 79 79 SER N N 79 117.959 117.959 117.151 0.808 25448 874 1 2 . 1 1 79 79 SER HA H 79 4.112 4.112 4.264 -0.152 25448 875 1 2 . 1 1 79 79 SER CA C 79 62.669 62.669 61.085 1.584 25448 876 1 2 . 1 1 79 79 SER CB C 79 63.727 63.727 63.556 0.171 25448 877 1 2 . 1 1 79 79 SER H H 79 8.109 8.109 8.185 -0.076 25448 878 1 2 . 1 1 80 80 LEU N N 80 121.272 121.272 121.355 -0.083 25448 879 1 2 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.158 0.312 25448 880 1 2 . 1 1 80 80 LEU CA C 80 55.542 55.542 55.548 -0.006 25448 881 1 2 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.227 0.273 25448 882 1 2 . 1 1 80 80 LEU H H 80 7.947 7.947 8.024 -0.077 25448 883 1 2 . 1 1 81 81 ASP N N 81 121.692 121.692 120.550 1.142 25448 884 1 2 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.314 0.776 25448 885 1 2 . 1 1 81 81 ASP CA C 81 56.604 56.604 57.123 -0.519 25448 886 1 2 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.026 -0.726 25448 887 1 2 . 1 1 81 81 ASP H H 81 8.294 8.294 7.723 0.571 25448 888 1 2 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.453 0.002 25448 889 1 2 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.975 -0.075 25448 890 1 2 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.499 -0.733 25448 891 1 2 . 1 1 83 83 GLU N N 83 118.940 118.940 118.092 0.848 25448 892 1 2 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.029 0.124 25448 893 1 2 . 1 1 83 83 GLU CA C 83 56.870 56.870 56.908 -0.038 25448 894 1 2 . 1 1 83 83 GLU CB C 83 32.422 32.422 31.017 1.405 25448 895 1 2 . 1 1 83 83 GLU H H 83 7.476 7.476 7.787 -0.311 25448 896 1 2 . 1 1 84 84 TYR N N 84 119.225 119.225 118.431 0.794 25448 897 1 2 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.840 -0.074 25448 898 1 2 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.310 -1.387 25448 899 1 2 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.844 1.380 25448 900 1 2 . 1 1 84 84 TYR H H 84 8.207 8.207 7.923 0.284 25448 901 1 2 . 1 1 85 85 GLN N N 85 119.667 119.667 120.153 -0.486 25448 902 1 2 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.530 0.268 25448 903 1 2 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.179 -0.976 25448 904 1 2 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.436 0.930 25448 905 1 2 . 1 1 85 85 GLN H H 85 8.264 8.264 8.633 -0.369 25448 906 1 2 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.351 0.071 25448 907 1 2 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.965 -1.354 25448 908 1 2 . 1 1 86 86 PRO CB C 86 31.850 31.850 31.875 -0.025 25448 909 1 2 . 1 1 87 87 ARG N N 87 121.150 121.150 124.153 -3.003 25448 910 1 2 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.747 -0.342 25448 911 1 2 . 1 1 87 87 ARG CA C 87 55.600 55.600 52.952 2.648 25448 912 1 2 . 1 1 87 87 ARG CB C 87 29.301 29.301 30.043 -0.742 25448 913 1 2 . 1 1 87 87 ARG H H 87 8.254 8.254 8.185 0.069 25448 914 1 2 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.559 -0.112 25448 915 1 2 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.608 0.371 25448 916 1 2 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.095 0.175 25448 917 1 2 . 1 1 89 89 VAL N N 89 125.682 125.682 126.749 -1.067 25448 918 1 2 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.620 -0.119 25448 919 1 2 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.510 1.901 25448 920 1 2 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.060 -0.426 25448 921 1 2 . 1 1 89 89 VAL H H 89 8.678 8.678 8.449 0.229 25448 922 1 2 . 1 1 90 90 GLU N N 90 117.092 117.092 118.471 -1.379 25448 923 1 2 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.068 -0.041 25448 924 1 2 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.455 0.561 25448 925 1 2 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.760 -0.127 25448 926 1 2 . 1 1 90 90 GLU H H 90 9.318 9.318 8.805 0.513 25448 927 1 2 . 1 1 91 91 VAL N N 91 119.967 119.967 120.008 -0.041 25448 928 1 2 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.755 0.109 25448 929 1 2 . 1 1 91 91 VAL CA C 91 65.000 65.000 66.208 -1.208 25448 930 1 2 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.476 0.425 25448 931 1 2 . 1 1 91 91 VAL H H 91 7.153 7.153 7.667 -0.514 25448 932 1 2 . 1 1 92 92 ILE N N 92 122.669 122.669 121.464 1.205 25448 933 1 2 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.921 -0.611 25448 934 1 2 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.410 1.301 25448 935 1 2 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.847 0.716 25448 936 1 2 . 1 1 92 92 ILE H H 92 8.004 8.004 7.357 0.647 25448 937 1 2 . 1 1 93 93 ILE N N 93 115.049 115.049 119.998 -4.949 25448 938 1 2 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.585 -0.053 25448 939 1 2 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.735 -0.650 25448 940 1 2 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.620 -0.457 25448 941 1 2 . 1 1 93 93 ILE H H 93 8.305 8.305 8.115 0.190 25448 942 1 2 . 1 1 94 94 SER N N 94 115.196 115.196 116.465 -1.269 25448 943 1 2 . 1 1 94 94 SER HA H 94 4.101 4.101 4.036 0.065 25448 944 1 2 . 1 1 94 94 SER CA C 94 62.300 62.300 62.078 0.223 25448 945 1 2 . 1 1 94 94 SER H H 94 7.927 7.927 8.587 -0.660 25448 946 1 2 . 1 1 95 95 SER N N 95 117.891 117.891 117.948 -0.057 25448 947 1 2 . 1 1 95 95 SER HA H 95 4.209 4.209 4.051 0.158 25448 948 1 2 . 1 1 95 95 SER CA C 95 62.100 62.100 61.503 0.597 25448 949 1 2 . 1 1 95 95 SER CB C 95 62.714 62.714 63.031 -0.317 25448 950 1 2 . 1 1 95 95 SER H H 95 8.174 8.174 8.254 -0.080 25448 951 1 2 . 1 1 96 96 ALA N N 96 123.830 123.830 124.220 -0.390 25448 952 1 2 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.065 -0.174 25448 953 1 2 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.426 -0.150 25448 954 1 2 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.272 1.676 25448 955 1 2 . 1 1 96 96 ALA H H 96 8.110 8.110 8.210 -0.100 25448 956 1 2 . 1 1 97 97 LYS N N 97 115.893 115.893 117.604 -1.711 25448 957 1 2 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.969 -0.161 25448 958 1 2 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.553 0.796 25448 959 1 2 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.389 0.309 25448 960 1 2 . 1 1 97 97 LYS H H 97 8.218 8.218 8.234 -0.016 25448 961 1 2 . 1 1 98 98 GLU N N 98 117.006 117.006 116.732 0.274 25448 962 1 2 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.109 0.031 25448 963 1 2 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.098 0.124 25448 964 1 2 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.724 0.052 25448 965 1 2 . 1 1 98 98 GLU H H 98 7.474 7.474 7.985 -0.511 25448 966 1 2 . 1 1 99 99 MET N N 99 114.572 114.572 117.207 -2.635 25448 967 1 2 . 1 1 99 99 MET HA H 99 4.533 4.533 4.332 0.201 25448 968 1 2 . 1 1 99 99 MET CA C 99 55.292 55.292 56.266 -0.974 25448 969 1 2 . 1 1 99 99 MET CB C 99 33.777 33.777 33.340 0.437 25448 970 1 2 . 1 1 99 99 MET H H 99 7.378 7.378 8.170 -0.792 25448 971 1 2 . 1 1 100 100 VAL N N 100 119.104 119.104 118.379 0.725 25448 972 1 2 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.505 -0.239 25448 973 1 2 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.119 0.928 25448 974 1 2 . 1 1 100 100 VAL CB C 100 31.325 31.325 31.016 0.309 25448 975 1 2 . 1 1 100 100 VAL H H 100 7.056 7.056 8.123 -1.067 25448 976 1 2 . 1 1 101 101 GLY N N 101 116.779 116.779 114.701 2.078 25448 977 1 2 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.702 -0.051 25448 978 1 2 . 1 1 101 101 GLY H H 101 8.979 8.979 8.822 0.157 25448 979 1 2 . 1 1 102 102 GLN N N 102 119.990 119.990 120.891 -0.901 25448 980 1 2 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.350 -0.153 25448 981 1 2 . 1 1 102 102 GLN C C 102 174.994 174.994 175.404 -0.410 25448 982 1 2 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.434 1.229 25448 983 1 2 . 1 1 102 102 GLN CB C 102 28.936 28.936 29.907 -0.971 25448 984 1 2 . 1 1 102 102 GLN H H 102 8.103 8.103 8.084 0.019 25448 985 1 2 . 1 1 103 103 LYS N N 103 120.261 120.261 124.286 -4.025 25448 986 1 2 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.041 0.225 25448 987 1 2 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.786 -1.144 25448 988 1 2 . 1 1 103 103 LYS CB C 103 34.196 34.196 34.087 0.109 25448 989 1 2 . 1 1 103 103 LYS H H 103 8.310 8.310 8.451 -0.141 25448 990 1 2 . 1 1 104 104 MET N N 104 119.868 119.868 121.007 -1.139 25448 991 1 2 . 1 1 104 104 MET HA H 104 4.692 4.692 4.898 -0.206 25448 992 1 2 . 1 1 104 104 MET CA C 104 54.276 54.276 53.050 1.226 25448 993 1 2 . 1 1 104 104 MET CB C 104 36.831 36.831 35.998 0.833 25448 994 1 2 . 1 1 104 104 MET H H 104 8.556 8.556 8.910 -0.354 25448 995 1 2 . 1 1 105 105 LYS N N 105 120.932 120.932 120.826 0.106 25448 996 1 2 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.252 0.114 25448 997 1 2 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.594 0.506 25448 998 1 2 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.634 0.256 25448 999 1 2 . 1 1 105 105 LYS H H 105 8.257 8.257 8.344 -0.087 25448 1000 1 2 . 1 1 106 106 TYR N N 106 122.600 122.600 120.188 2.412 25448 1001 1 2 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.510 -0.092 25448 1002 1 2 . 1 1 106 106 TYR CA C 106 56.726 56.726 58.714 -1.988 25448 1003 1 2 . 1 1 106 106 TYR CB C 106 38.561 38.561 38.357 0.204 25448 1004 1 2 . 1 1 106 106 TYR H H 106 8.378 8.378 8.299 0.079 25448 1005 1 2 . 1 1 107 107 SER N N 107 116.904 116.904 121.573 -4.669 25448 1006 1 2 . 1 1 107 107 SER CA C 107 56.717 56.717 57.702 -0.985 25448 1007 1 2 . 1 1 107 107 SER CB C 107 63.983 63.983 63.139 0.844 25448 1008 1 2 . 1 1 107 107 SER H H 107 8.044 8.044 8.531 -0.487 25448 1009 1 2 . 1 1 109 109 VAL HA H 109 4.013 4.013 4.245 -0.232 25448 1010 1 2 . 1 1 109 109 VAL CA C 109 64.307 64.307 60.003 4.304 25448 1011 1 2 . 1 1 109 109 VAL CB C 109 32.000 32.000 34.379 -2.379 25448 1012 1 2 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.059 0.313 25448 1013 1 2 . 1 1 111 111 ARG CA C 111 57.100 57.100 59.294 -2.194 25448 1014 1 2 . 1 1 111 111 ARG CB C 111 28.110 28.110 29.759 -1.649 25448 1015 1 2 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.165 0.323 25448 1016 1 2 . 1 1 113 113 CYS CA C 113 61.609 61.609 63.949 -2.340 25448 1017 1 2 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.168 -0.368 25448 1018 1 2 . 1 1 114 114 GLU N N 114 125.287 125.287 121.246 4.041 25448 1019 1 2 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.160 0.279 25448 1020 1 2 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.312 -0.643 25448 1021 1 2 . 1 1 114 114 GLU CB C 114 30.058 30.058 28.498 1.560 25448 1022 1 2 . 1 1 114 114 GLU H H 114 7.720 7.720 7.561 0.159 25448 1023 1 2 . 1 1 115 115 HIS N N 115 119.008 119.008 118.206 0.802 25448 1024 1 2 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.239 0.158 25448 1025 1 2 . 1 1 115 115 HIS CA C 115 58.460 58.460 57.808 0.652 25448 1026 1 2 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.698 0.363 25448 1027 1 2 . 1 1 115 115 HIS H H 115 8.051 8.051 7.379 0.672 25448 1028 1 2 . 1 1 116 116 PHE N N 116 117.059 117.059 121.245 -4.186 25448 1029 1 2 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.173 0.175 25448 1030 1 2 . 1 1 116 116 PHE CA C 116 61.077 61.077 60.685 0.391 25448 1031 1 2 . 1 1 116 116 PHE CB C 116 39.598 39.598 39.136 0.462 25448 1032 1 2 . 1 1 116 116 PHE H H 116 8.168 8.168 7.941 0.227 25448 1033 1 2 . 1 1 117 117 VAL N N 117 107.857 107.857 115.488 -7.631 25448 1034 1 2 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.265 0.600 25448 1035 1 2 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.175 -0.584 25448 1036 1 2 . 1 1 117 117 VAL CB C 117 30.573 30.573 30.991 -0.418 25448 1037 1 2 . 1 1 117 117 VAL H H 117 7.080 7.080 8.229 -1.149 25448 1038 1 2 . 1 1 118 118 THR N N 118 117.382 117.382 113.367 4.015 25448 1039 1 2 . 1 1 118 118 THR HA H 118 4.046 4.046 3.986 0.060 25448 1040 1 2 . 1 1 118 118 THR CA C 118 66.745 66.745 66.094 0.651 25448 1041 1 2 . 1 1 118 118 THR CB C 118 68.185 68.185 68.274 -0.089 25448 1042 1 2 . 1 1 118 118 THR H H 118 8.465 8.465 8.350 0.115 25448 1043 1 2 . 1 1 119 119 GLN N N 119 121.900 121.900 120.760 1.140 25448 1044 1 2 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.164 -0.279 25448 1045 1 2 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.620 0.383 25448 1046 1 2 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.434 -0.824 25448 1047 1 2 . 1 1 119 119 GLN H H 119 8.074 8.074 7.637 0.437 25448 1048 1 2 . 1 1 120 120 LEU N N 120 117.899 117.899 118.067 -0.168 25448 1049 1 2 . 1 1 120 120 LEU HA H 120 3.835 3.835 4.020 -0.185 25448 1050 1 2 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.329 0.098 25448 1051 1 2 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.223 1.011 25448 1052 1 2 . 1 1 120 120 LEU H H 120 6.829 6.829 7.281 -0.452 25448 1053 1 2 . 1 1 121 121 ARG N N 121 117.250 117.250 118.731 -1.481 25448 1054 1 2 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.132 -0.212 25448 1055 1 2 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.745 0.298 25448 1056 1 2 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.661 -0.405 25448 1057 1 2 . 1 1 121 121 ARG H H 121 7.677 7.677 7.683 -0.006 25448 1058 1 2 . 1 1 122 122 TYR N N 122 111.508 111.508 119.687 -8.179 25448 1059 1 2 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.131 0.509 25448 1060 1 2 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.082 -1.560 25448 1061 1 2 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.641 1.033 25448 1062 1 2 . 1 1 122 122 TYR H H 122 8.114 8.114 8.514 -0.400 25448 1063 1 2 . 1 1 123 123 GLY N N 123 109.399 109.399 106.223 3.176 25448 1064 1 2 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.431 0.910 25448 1065 1 2 . 1 1 123 123 GLY H H 123 8.032 8.032 7.617 0.415 25448 1066 1 2 . 1 1 124 124 LYS N N 124 117.936 117.936 120.004 -2.068 25448 1067 1 2 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.109 0.243 25448 1068 1 2 . 1 1 124 124 LYS CA C 124 55.200 55.200 55.986 -0.786 25448 1069 1 2 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.407 1.591 25448 1070 1 2 . 1 1 124 124 LYS H H 124 7.402 7.402 7.077 0.325 25448 1071 1 3 . 1 1 3 3 SER N N 3 113.812 113.812 115.472 -1.660 25448 1072 1 3 . 1 1 3 3 SER HA H 3 4.697 4.697 4.696 0.001 25448 1073 1 3 . 1 1 3 3 SER CA C 3 58.996 58.996 57.557 1.439 25448 1074 1 3 . 1 1 3 3 SER CB C 3 63.800 63.800 63.719 0.081 25448 1075 1 3 . 1 1 3 3 SER H H 3 7.587 7.587 8.451 -0.864 25448 1076 1 3 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.514 -0.101 25448 1077 1 3 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.106 0.248 25448 1078 1 3 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.236 -0.336 25448 1079 1 3 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.626 -0.069 25448 1080 1 3 . 1 1 5 5 HIS CA C 5 56.230 56.230 55.787 0.443 25448 1081 1 3 . 1 1 5 5 HIS CB C 5 30.500 30.500 31.397 -0.897 25448 1082 1 3 . 1 1 5 5 HIS H H 5 6.984 6.984 8.451 -1.467 25448 1083 1 3 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.248 0.040 25448 1084 1 3 . 1 1 6 6 GLN CA C 6 55.174 55.174 56.061 -0.887 25448 1085 1 3 . 1 1 6 6 GLN CB C 6 30.042 30.042 29.375 0.667 25448 1086 1 3 . 1 1 7 7 GLU N N 7 124.477 124.477 123.363 1.114 25448 1087 1 3 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.662 -0.173 25448 1088 1 3 . 1 1 7 7 GLU CA C 7 54.111 54.111 52.888 1.223 25448 1089 1 3 . 1 1 7 7 GLU CB C 7 29.912 29.912 32.011 -2.099 25448 1090 1 3 . 1 1 7 7 GLU H H 7 8.353 8.353 8.431 -0.078 25448 1091 1 3 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.592 -0.248 25448 1092 1 3 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.420 -0.022 25448 1093 1 3 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.605 -1.205 25448 1094 1 3 . 1 1 9 9 LYS N N 9 122.328 122.328 119.887 2.441 25448 1095 1 3 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.975 -0.102 25448 1096 1 3 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.293 0.858 25448 1097 1 3 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.361 -1.222 25448 1098 1 3 . 1 1 9 9 LYS H H 9 9.336 9.336 9.020 0.316 25448 1099 1 3 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.272 -0.349 25448 1100 1 3 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.692 -0.158 25448 1101 1 3 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.499 0.130 25448 1102 1 3 . 1 1 11 11 GLY N N 11 112.758 112.758 114.810 -2.052 25448 1103 1 3 . 1 1 11 11 GLY CA C 11 45.182 45.182 44.915 0.267 25448 1104 1 3 . 1 1 11 11 GLY H H 11 9.359 9.359 9.141 0.218 25448 1105 1 3 . 1 1 12 12 ASP N N 12 120.500 120.500 122.010 -1.510 25448 1106 1 3 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.848 0.022 25448 1107 1 3 . 1 1 12 12 ASP CA C 12 55.211 55.211 55.230 -0.019 25448 1108 1 3 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.367 1.579 25448 1109 1 3 . 1 1 12 12 ASP H H 12 8.277 8.277 8.042 0.235 25448 1110 1 3 . 1 1 13 13 LEU N N 13 119.594 119.594 123.580 -3.986 25448 1111 1 3 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.946 0.031 25448 1112 1 3 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.711 -0.722 25448 1113 1 3 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.588 -1.390 25448 1114 1 3 . 1 1 13 13 LEU H H 13 9.103 9.103 9.360 -0.257 25448 1115 1 3 . 1 1 14 14 ILE N N 14 121.352 121.352 124.160 -2.808 25448 1116 1 3 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.917 -0.307 25448 1117 1 3 . 1 1 14 14 ILE CA C 14 58.178 58.178 58.338 -0.160 25448 1118 1 3 . 1 1 14 14 ILE CB C 14 39.213 39.213 38.091 1.122 25448 1119 1 3 . 1 1 14 14 ILE H H 14 9.221 9.221 9.295 -0.074 25448 1120 1 3 . 1 1 15 15 GLU N N 15 129.555 129.555 127.766 1.789 25448 1121 1 3 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.579 -1.361 25448 1122 1 3 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.547 -0.099 25448 1123 1 3 . 1 1 15 15 GLU CB C 15 31.783 31.783 32.718 -0.935 25448 1124 1 3 . 1 1 15 15 GLU H H 15 8.625 8.625 9.249 -0.624 25448 1125 1 3 . 1 1 16 16 ILE N N 16 125.258 125.258 125.052 0.206 25448 1126 1 3 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.480 -0.371 25448 1127 1 3 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.663 0.838 25448 1128 1 3 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.386 0.015 25448 1129 1 3 . 1 1 16 16 ILE H H 16 8.557 8.557 8.700 -0.143 25448 1130 1 3 . 1 1 17 17 PHE N N 17 127.058 127.058 126.689 0.369 25448 1131 1 3 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.616 -0.114 25448 1132 1 3 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.749 2.190 25448 1133 1 3 . 1 1 17 17 PHE CB C 17 37.496 37.496 36.919 0.577 25448 1134 1 3 . 1 1 17 17 PHE H H 17 8.500 8.500 8.875 -0.375 25448 1135 1 3 . 1 1 18 18 ARG N N 18 124.569 124.569 121.745 2.824 25448 1136 1 3 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.078 0.572 25448 1137 1 3 . 1 1 18 18 ARG CA C 18 54.596 54.596 55.844 -1.248 25448 1138 1 3 . 1 1 18 18 ARG CB C 18 30.206 30.206 30.932 -0.726 25448 1139 1 3 . 1 1 18 18 ARG H H 18 7.686 7.686 7.408 0.278 25448 1140 1 3 . 1 1 19 19 LEU N N 19 121.049 121.049 125.938 -4.889 25448 1141 1 3 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.117 0.307 25448 1142 1 3 . 1 1 19 19 LEU CA C 19 56.123 56.123 56.259 -0.136 25448 1143 1 3 . 1 1 19 19 LEU CB C 19 40.296 40.296 42.321 -2.025 25448 1144 1 3 . 1 1 19 19 LEU H H 19 8.103 8.103 8.436 -0.333 25448 1145 1 3 . 1 1 20 20 GLY N N 20 115.623 115.623 114.195 1.428 25448 1146 1 3 . 1 1 20 20 GLY CA C 20 45.736 45.736 44.955 0.781 25448 1147 1 3 . 1 1 20 20 GLY H H 20 8.686 8.686 8.530 0.156 25448 1148 1 3 . 1 1 21 21 TYR N N 21 115.905 115.905 125.487 -9.582 25448 1149 1 3 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.414 0.346 25448 1150 1 3 . 1 1 21 21 TYR CA C 21 56.507 56.507 58.145 -1.638 25448 1151 1 3 . 1 1 21 21 TYR CB C 21 38.631 38.631 38.986 -0.355 25448 1152 1 3 . 1 1 21 21 TYR H H 21 7.433 7.433 8.386 -0.953 25448 1153 1 3 . 1 1 22 22 GLU N N 22 116.649 116.649 121.201 -4.552 25448 1154 1 3 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.258 0.902 25448 1155 1 3 . 1 1 22 22 GLU CA C 22 56.255 56.255 56.831 -0.576 25448 1156 1 3 . 1 1 22 22 GLU CB C 22 32.167 32.167 29.962 2.205 25448 1157 1 3 . 1 1 22 22 GLU H H 22 8.139 8.139 8.508 -0.369 25448 1158 1 3 . 1 1 23 23 HIS N N 23 122.171 122.171 117.867 4.304 25448 1159 1 3 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.706 0.882 25448 1160 1 3 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.846 -0.685 25448 1161 1 3 . 1 1 23 23 HIS CB C 23 34.370 34.370 32.885 1.485 25448 1162 1 3 . 1 1 23 23 HIS H H 23 8.943 8.943 8.404 0.539 25448 1163 1 3 . 1 1 24 24 TRP N N 24 124.412 124.412 118.340 6.072 25448 1164 1 3 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.512 0.185 25448 1165 1 3 . 1 1 24 24 TRP CA C 24 55.906 55.906 55.914 -0.008 25448 1166 1 3 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.797 -1.641 25448 1167 1 3 . 1 1 24 24 TRP H H 24 6.764 6.764 8.045 -1.281 25448 1168 1 3 . 1 1 25 25 ALA N N 25 121.149 121.149 119.891 1.258 25448 1169 1 3 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.021 -0.160 25448 1170 1 3 . 1 1 25 25 ALA CA C 25 50.352 50.352 51.188 -0.836 25448 1171 1 3 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.261 -0.308 25448 1172 1 3 . 1 1 25 25 ALA H H 25 9.336 9.336 9.040 0.296 25448 1173 1 3 . 1 1 26 26 LEU N N 26 122.472 122.472 123.015 -0.543 25448 1174 1 3 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.226 0.034 25448 1175 1 3 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.930 0.711 25448 1176 1 3 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.485 1.936 25448 1177 1 3 . 1 1 26 26 LEU H H 26 8.835 8.835 8.972 -0.137 25448 1178 1 3 . 1 1 27 27 TYR N N 27 128.215 128.215 129.238 -1.023 25448 1179 1 3 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.740 0.012 25448 1180 1 3 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.345 1.457 25448 1181 1 3 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.805 -1.135 25448 1182 1 3 . 1 1 27 27 TYR H H 27 9.750 9.750 9.317 0.433 25448 1183 1 3 . 1 1 28 28 ILE N N 28 119.796 119.796 122.392 -2.596 25448 1184 1 3 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.480 0.093 25448 1185 1 3 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.260 0.558 25448 1186 1 3 . 1 1 28 28 ILE CB C 28 38.900 38.900 38.811 0.089 25448 1187 1 3 . 1 1 28 28 ILE H H 28 8.196 8.196 7.944 0.252 25448 1188 1 3 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.338 -0.338 25448 1189 1 3 . 1 1 29 29 GLY H H 29 6.584 6.584 6.615 -0.031 25448 1190 1 3 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.351 0.071 25448 1191 1 3 . 1 1 30 30 ASP CA C 30 55.640 55.640 54.869 0.771 25448 1192 1 3 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.381 -0.128 25448 1193 1 3 . 1 1 30 30 ASP H H 30 6.837 6.837 8.828 -1.991 25448 1194 1 3 . 1 1 31 31 GLY N N 31 124.953 124.953 102.576 22.377 25448 1195 1 3 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.254 0.284 25448 1196 1 3 . 1 1 31 31 GLY H H 31 8.120 8.120 7.898 0.222 25448 1197 1 3 . 1 1 32 32 TYR N N 32 120.196 120.196 120.493 -0.297 25448 1198 1 3 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.058 -0.128 25448 1199 1 3 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.350 0.438 25448 1200 1 3 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.819 1.177 25448 1201 1 3 . 1 1 32 32 TYR H H 32 7.843 7.843 7.692 0.151 25448 1202 1 3 . 1 1 33 33 VAL N N 33 109.892 109.892 114.531 -4.639 25448 1203 1 3 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.098 0.368 25448 1204 1 3 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.985 -2.525 25448 1205 1 3 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.823 -0.666 25448 1206 1 3 . 1 1 33 33 VAL H H 33 9.242 9.242 9.309 -0.068 25448 1207 1 3 . 1 1 34 34 ILE N N 34 119.424 119.424 122.099 -2.675 25448 1208 1 3 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.246 0.309 25448 1209 1 3 . 1 1 34 34 ILE CA C 34 60.331 60.331 59.990 0.341 25448 1210 1 3 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.586 0.346 25448 1211 1 3 . 1 1 34 34 ILE H H 34 9.084 9.084 9.001 0.083 25448 1212 1 3 . 1 1 35 35 HIS N N 35 123.118 123.118 121.125 1.993 25448 1213 1 3 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.300 -0.142 25448 1214 1 3 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.497 -0.279 25448 1215 1 3 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.691 2.309 25448 1216 1 3 . 1 1 35 35 HIS H H 35 9.110 9.110 9.183 -0.073 25448 1217 1 3 . 1 1 36 36 LEU N N 36 123.704 123.704 124.355 -0.651 25448 1218 1 3 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.654 -0.570 25448 1219 1 3 . 1 1 36 36 LEU CA C 36 53.682 53.682 54.172 -0.490 25448 1220 1 3 . 1 1 36 36 LEU CB C 36 41.631 41.631 43.833 -2.202 25448 1221 1 3 . 1 1 36 36 LEU H H 36 8.991 8.991 8.673 0.318 25448 1222 1 3 . 1 1 37 37 ALA N N 37 129.765 129.765 129.776 -0.011 25448 1223 1 3 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.946 -0.619 25448 1224 1 3 . 1 1 37 37 ALA CA C 37 49.698 49.698 48.988 0.710 25448 1225 1 3 . 1 1 37 37 ALA CB C 37 19.428 19.428 20.374 -0.946 25448 1226 1 3 . 1 1 37 37 ALA H H 37 8.050 8.050 9.024 -0.974 25448 1227 1 3 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.693 -0.689 25448 1228 1 3 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.184 -0.384 25448 1229 1 3 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.456 -0.928 25448 1230 1 3 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.519 -0.145 25448 1231 1 3 . 1 1 39 39 PRO CA C 39 62.900 62.900 63.002 -0.102 25448 1232 1 3 . 1 1 39 39 PRO CB C 39 32.000 32.000 32.244 -0.244 25448 1233 1 3 . 1 1 40 40 SER N N 40 114.906 114.906 115.395 -0.489 25448 1234 1 3 . 1 1 40 40 SER HA H 40 4.326 4.326 4.288 0.038 25448 1235 1 3 . 1 1 40 40 SER CA C 40 58.700 58.700 58.948 -0.248 25448 1236 1 3 . 1 1 40 40 SER CB C 40 64.004 64.004 63.673 0.331 25448 1237 1 3 . 1 1 40 40 SER H H 40 8.184 8.184 8.570 -0.386 25448 1238 1 3 . 1 1 41 41 GLU N N 41 121.221 121.221 118.817 2.404 25448 1239 1 3 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.184 0.077 25448 1240 1 3 . 1 1 41 41 GLU CA C 41 56.424 56.424 56.563 -0.139 25448 1241 1 3 . 1 1 41 41 GLU CB C 41 30.514 30.514 31.273 -0.759 25448 1242 1 3 . 1 1 41 41 GLU H H 41 8.401 8.401 7.317 1.084 25448 1243 1 3 . 1 1 42 42 TYR N N 42 121.900 121.900 115.860 6.040 25448 1244 1 3 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.253 0.527 25448 1245 1 3 . 1 1 42 42 TYR CA C 42 55.700 55.700 58.910 -3.210 25448 1246 1 3 . 1 1 42 42 TYR CB C 42 38.400 38.400 35.791 2.609 25448 1247 1 3 . 1 1 42 42 TYR H H 42 8.117 8.117 8.464 -0.347 25448 1248 1 3 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.451 -0.048 25448 1249 1 3 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.891 0.589 25448 1250 1 3 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.062 -0.262 25448 1251 1 3 . 1 1 44 44 GLY N N 44 109.030 109.030 109.923 -0.893 25448 1252 1 3 . 1 1 44 44 GLY CA C 44 45.244 45.244 45.367 -0.123 25448 1253 1 3 . 1 1 44 44 GLY H H 44 8.001 8.001 8.183 -0.182 25448 1254 1 3 . 1 1 45 45 ALA N N 45 123.500 123.500 123.410 0.090 25448 1255 1 3 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.274 0.038 25448 1256 1 3 . 1 1 45 45 ALA CA C 45 52.853 52.853 53.242 -0.389 25448 1257 1 3 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.356 -0.034 25448 1258 1 3 . 1 1 45 45 ALA H H 45 8.082 8.082 7.410 0.672 25448 1259 1 3 . 1 1 46 46 GLY N N 46 108.151 108.151 109.518 -1.367 25448 1260 1 3 . 1 1 46 46 GLY CA C 46 45.460 45.460 44.617 0.843 25448 1261 1 3 . 1 1 46 46 GLY H H 46 8.408 8.408 8.061 0.347 25448 1262 1 3 . 1 1 48 48 SER N N 48 116.904 116.904 116.381 0.523 25448 1263 1 3 . 1 1 48 48 SER HA H 48 4.700 4.700 4.572 0.128 25448 1264 1 3 . 1 1 48 48 SER H H 48 8.044 8.044 8.065 -0.021 25448 1265 1 3 . 1 1 49 49 SER HA H 49 4.456 4.456 5.054 -0.598 25448 1266 1 3 . 1 1 49 49 SER CA C 49 58.713 58.713 55.834 2.880 25448 1267 1 3 . 1 1 49 49 SER CB C 49 64.000 64.000 65.410 -1.411 25448 1268 1 3 . 1 1 50 50 VAL N N 50 120.352 120.352 121.881 -1.529 25448 1269 1 3 . 1 1 50 50 VAL HA H 50 4.033 4.033 4.218 -0.185 25448 1270 1 3 . 1 1 50 50 VAL CA C 50 62.816 62.816 64.924 -2.108 25448 1271 1 3 . 1 1 50 50 VAL CB C 50 32.416 32.416 31.777 0.639 25448 1272 1 3 . 1 1 50 50 VAL H H 50 7.890 7.890 8.743 -0.853 25448 1273 1 3 . 1 1 51 51 PHE N N 51 121.600 121.600 121.060 0.540 25448 1274 1 3 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.464 0.112 25448 1275 1 3 . 1 1 51 51 PHE CA C 51 58.198 58.198 59.921 -1.723 25448 1276 1 3 . 1 1 51 51 PHE CB C 51 39.470 39.470 39.439 0.031 25448 1277 1 3 . 1 1 51 51 PHE H H 51 7.989 7.989 8.393 -0.404 25448 1278 1 3 . 1 1 52 52 SER N N 52 116.521 116.521 112.843 3.678 25448 1279 1 3 . 1 1 52 52 SER HA H 52 4.429 4.429 4.588 -0.159 25448 1280 1 3 . 1 1 52 52 SER C C 52 174.445 174.445 174.638 -0.193 25448 1281 1 3 . 1 1 52 52 SER CA C 52 58.365 58.365 58.508 -0.143 25448 1282 1 3 . 1 1 52 52 SER CB C 52 64.018 64.018 65.546 -1.528 25448 1283 1 3 . 1 1 52 52 SER H H 52 8.018 8.018 8.028 -0.010 25448 1284 1 3 . 1 1 53 53 VAL N N 53 120.571 120.571 120.617 -0.046 25448 1285 1 3 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.308 -0.205 25448 1286 1 3 . 1 1 53 53 VAL CA C 53 62.979 62.979 62.236 0.743 25448 1287 1 3 . 1 1 53 53 VAL CB C 53 32.416 32.416 35.521 -3.105 25448 1288 1 3 . 1 1 53 53 VAL H H 53 7.959 7.959 8.062 -0.103 25448 1289 1 3 . 1 1 54 54 LEU N N 54 123.703 123.703 126.401 -2.698 25448 1290 1 3 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.865 -0.499 25448 1291 1 3 . 1 1 54 54 LEU CA C 54 55.500 55.500 54.426 1.074 25448 1292 1 3 . 1 1 54 54 LEU CB C 54 42.293 42.293 45.053 -2.760 25448 1293 1 3 . 1 1 54 54 LEU H H 54 8.095 8.095 8.358 -0.263 25448 1294 1 3 . 1 1 55 55 SER N N 55 115.309 115.309 114.485 0.824 25448 1295 1 3 . 1 1 55 55 SER HA H 55 4.399 4.399 3.576 0.823 25448 1296 1 3 . 1 1 55 55 SER CA C 55 58.365 58.365 56.776 1.589 25448 1297 1 3 . 1 1 55 55 SER CB C 55 64.110 64.110 65.663 -1.553 25448 1298 1 3 . 1 1 55 55 SER H H 55 8.063 8.063 8.174 -0.111 25448 1299 1 3 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.387 0.531 25448 1300 1 3 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.446 -0.295 25448 1301 1 3 . 1 1 56 56 ASN CB C 56 39.339 39.339 38.251 1.088 25448 1302 1 3 . 1 1 57 57 SER N N 57 115.102 115.102 116.001 -0.899 25448 1303 1 3 . 1 1 57 57 SER HA H 57 4.694 4.694 4.728 -0.034 25448 1304 1 3 . 1 1 57 57 SER CA C 57 58.307 58.307 58.638 -0.331 25448 1305 1 3 . 1 1 57 57 SER CB C 57 64.838 64.838 64.258 0.580 25448 1306 1 3 . 1 1 57 57 SER H H 57 8.065 8.065 8.482 -0.417 25448 1307 1 3 . 1 1 58 58 ALA N N 58 125.610 125.610 124.775 0.835 25448 1308 1 3 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.833 -0.339 25448 1309 1 3 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.484 0.797 25448 1310 1 3 . 1 1 58 58 ALA CB C 58 22.479 22.479 21.248 1.230 25448 1311 1 3 . 1 1 58 58 ALA H H 58 8.548 8.548 8.529 0.019 25448 1312 1 3 . 1 1 59 59 GLU N N 59 120.190 120.190 121.121 -0.931 25448 1313 1 3 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.073 -0.040 25448 1314 1 3 . 1 1 59 59 GLU CA C 59 54.004 54.004 53.897 0.107 25448 1315 1 3 . 1 1 59 59 GLU CB C 59 34.292 34.292 33.926 0.366 25448 1316 1 3 . 1 1 59 59 GLU H H 59 8.116 8.116 8.412 -0.296 25448 1317 1 3 . 1 1 60 60 VAL N N 60 125.380 125.380 126.707 -1.327 25448 1318 1 3 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.023 0.315 25448 1319 1 3 . 1 1 60 60 VAL CA C 60 62.784 62.784 62.907 -0.123 25448 1320 1 3 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.540 -0.784 25448 1321 1 3 . 1 1 60 60 VAL H H 60 8.531 8.531 8.907 -0.376 25448 1322 1 3 . 1 1 61 61 LYS N N 61 129.548 129.548 125.924 3.624 25448 1323 1 3 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.650 0.250 25448 1324 1 3 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.272 1.312 25448 1325 1 3 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.249 0.785 25448 1326 1 3 . 1 1 61 61 LYS H H 61 9.068 9.068 8.663 0.405 25448 1327 1 3 . 1 1 62 62 ARG N N 62 123.653 123.653 122.249 1.404 25448 1328 1 3 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.336 0.366 25448 1329 1 3 . 1 1 62 62 ARG CA C 62 54.386 54.386 54.883 -0.497 25448 1330 1 3 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.637 -0.679 25448 1331 1 3 . 1 1 62 62 ARG H H 62 8.749 8.749 8.531 0.218 25448 1332 1 3 . 1 1 63 63 GLU N N 63 125.033 125.033 123.351 1.682 25448 1333 1 3 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.778 0.220 25448 1334 1 3 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.887 -0.009 25448 1335 1 3 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.016 2.967 25448 1336 1 3 . 1 1 63 63 GLU H H 63 8.973 8.973 9.242 -0.269 25448 1337 1 3 . 1 1 64 64 ARG N N 64 121.855 121.855 119.692 2.163 25448 1338 1 3 . 1 1 64 64 ARG HA H 64 3.900 3.900 3.958 -0.058 25448 1339 1 3 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.870 0.030 25448 1340 1 3 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.273 -0.727 25448 1341 1 3 . 1 1 64 64 ARG H H 64 9.273 9.273 8.553 0.720 25448 1342 1 3 . 1 1 65 65 LEU N N 65 124.611 124.611 126.200 -1.589 25448 1343 1 3 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.881 -0.311 25448 1344 1 3 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.786 0.224 25448 1345 1 3 . 1 1 65 65 LEU CB C 65 41.723 41.723 42.045 -0.322 25448 1346 1 3 . 1 1 65 65 LEU H H 65 8.823 8.823 8.813 0.010 25448 1347 1 3 . 1 1 66 66 GLU N N 66 115.188 115.188 118.258 -3.070 25448 1348 1 3 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.710 0.125 25448 1349 1 3 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.509 0.145 25448 1350 1 3 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.559 0.601 25448 1351 1 3 . 1 1 66 66 GLU H H 66 9.360 9.360 8.648 0.712 25448 1352 1 3 . 1 1 67 67 ASP N N 67 118.590 118.590 118.828 -0.238 25448 1353 1 3 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.387 0.073 25448 1354 1 3 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.741 -0.174 25448 1355 1 3 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.730 -0.060 25448 1356 1 3 . 1 1 67 67 ASP H H 67 6.806 6.806 8.016 -1.210 25448 1357 1 3 . 1 1 68 68 VAL N N 68 119.985 119.985 119.850 0.135 25448 1358 1 3 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.687 -0.071 25448 1359 1 3 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.568 -0.498 25448 1360 1 3 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.759 0.408 25448 1361 1 3 . 1 1 68 68 VAL H H 68 7.414 7.414 7.770 -0.356 25448 1362 1 3 . 1 1 69 69 VAL N N 69 116.972 116.972 114.047 2.925 25448 1363 1 3 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.999 -0.497 25448 1364 1 3 . 1 1 69 69 VAL CA C 69 65.337 65.337 61.594 3.743 25448 1365 1 3 . 1 1 69 69 VAL CB C 69 32.036 32.036 30.771 1.264 25448 1366 1 3 . 1 1 69 69 VAL H H 69 8.261 8.261 8.213 0.048 25448 1367 1 3 . 1 1 70 70 GLY N N 70 107.311 107.311 108.980 -1.669 25448 1368 1 3 . 1 1 70 70 GLY CA C 70 47.610 47.610 45.569 2.041 25448 1369 1 3 . 1 1 70 70 GLY H H 70 7.395 7.395 7.142 0.253 25448 1370 1 3 . 1 1 71 71 GLY N N 71 110.582 110.582 114.327 -3.745 25448 1371 1 3 . 1 1 71 71 GLY CA C 71 45.176 45.176 45.270 -0.095 25448 1372 1 3 . 1 1 71 71 GLY H H 71 8.831 8.831 8.694 0.137 25448 1373 1 3 . 1 1 72 72 CYS N N 72 118.742 118.742 117.628 1.114 25448 1374 1 3 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.764 -0.266 25448 1375 1 3 . 1 1 72 72 CYS CA C 72 60.154 60.154 58.278 1.877 25448 1376 1 3 . 1 1 72 72 CYS CB C 72 29.295 29.295 30.753 -1.458 25448 1377 1 3 . 1 1 72 72 CYS H H 72 7.613 7.613 7.769 -0.156 25448 1378 1 3 . 1 1 73 73 CYS N N 73 120.205 120.205 122.428 -2.223 25448 1379 1 3 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.886 -0.355 25448 1380 1 3 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.532 0.260 25448 1381 1 3 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.904 -0.858 25448 1382 1 3 . 1 1 73 73 CYS H H 73 9.007 9.007 8.966 0.041 25448 1383 1 3 . 1 1 74 74 TYR N N 74 119.008 119.008 118.675 0.333 25448 1384 1 3 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.671 -0.074 25448 1385 1 3 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.505 -0.915 25448 1386 1 3 . 1 1 74 74 TYR CB C 74 41.876 41.876 41.242 0.634 25448 1387 1 3 . 1 1 74 74 TYR H H 74 8.141 8.141 8.484 -0.343 25448 1388 1 3 . 1 1 75 75 ARG N N 75 115.457 115.457 117.796 -2.339 25448 1389 1 3 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.613 0.026 25448 1390 1 3 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.890 -0.895 25448 1391 1 3 . 1 1 75 75 ARG CB C 75 33.235 33.235 33.646 -0.411 25448 1392 1 3 . 1 1 75 75 ARG H H 75 9.008 9.008 9.198 -0.190 25448 1393 1 3 . 1 1 76 76 VAL N N 76 123.071 123.071 121.808 1.263 25448 1394 1 3 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.580 -0.017 25448 1395 1 3 . 1 1 76 76 VAL CA C 76 62.968 62.968 61.942 1.026 25448 1396 1 3 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.107 -0.142 25448 1397 1 3 . 1 1 76 76 VAL H H 76 8.511 8.511 9.274 -0.763 25448 1398 1 3 . 1 1 77 77 ASN N N 77 126.125 126.125 126.417 -0.292 25448 1399 1 3 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.884 -0.029 25448 1400 1 3 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.982 -0.910 25448 1401 1 3 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.226 -0.586 25448 1402 1 3 . 1 1 77 77 ASN H H 77 8.824 8.824 9.056 -0.232 25448 1403 1 3 . 1 1 78 78 ASN N N 78 124.269 124.269 123.257 1.012 25448 1404 1 3 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.820 0.526 25448 1405 1 3 . 1 1 78 78 ASN CA C 78 52.124 52.124 52.997 -0.873 25448 1406 1 3 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.611 0.337 25448 1407 1 3 . 1 1 78 78 ASN H H 78 8.685 8.685 8.902 -0.217 25448 1408 1 3 . 1 1 79 79 SER N N 79 117.959 117.959 117.495 0.464 25448 1409 1 3 . 1 1 79 79 SER HA H 79 4.112 4.112 4.211 -0.099 25448 1410 1 3 . 1 1 79 79 SER CA C 79 62.669 62.669 61.125 1.544 25448 1411 1 3 . 1 1 79 79 SER CB C 79 63.727 63.727 63.256 0.471 25448 1412 1 3 . 1 1 79 79 SER H H 79 8.109 8.109 8.045 0.064 25448 1413 1 3 . 1 1 80 80 LEU N N 80 121.272 121.272 120.781 0.491 25448 1414 1 3 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.156 0.314 25448 1415 1 3 . 1 1 80 80 LEU CA C 80 55.542 55.542 55.941 -0.399 25448 1416 1 3 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.474 0.027 25448 1417 1 3 . 1 1 80 80 LEU H H 80 7.947 7.947 8.140 -0.193 25448 1418 1 3 . 1 1 81 81 ASP N N 81 121.692 121.692 120.394 1.298 25448 1419 1 3 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.444 0.646 25448 1420 1 3 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.768 -0.164 25448 1421 1 3 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.080 -0.780 25448 1422 1 3 . 1 1 81 81 ASP H H 81 8.294 8.294 7.786 0.508 25448 1423 1 3 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.571 -0.116 25448 1424 1 3 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.402 0.498 25448 1425 1 3 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.278 -0.512 25448 1426 1 3 . 1 1 83 83 GLU N N 83 118.940 118.940 118.005 0.935 25448 1427 1 3 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.116 0.037 25448 1428 1 3 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.119 -0.249 25448 1429 1 3 . 1 1 83 83 GLU CB C 83 32.422 32.422 31.257 1.165 25448 1430 1 3 . 1 1 83 83 GLU H H 83 7.476 7.476 7.688 -0.212 25448 1431 1 3 . 1 1 84 84 TYR N N 84 119.225 119.225 118.192 1.033 25448 1432 1 3 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.750 0.016 25448 1433 1 3 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.504 -1.581 25448 1434 1 3 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.996 1.228 25448 1435 1 3 . 1 1 84 84 TYR H H 84 8.207 8.207 8.226 -0.019 25448 1436 1 3 . 1 1 85 85 GLN N N 85 119.667 119.667 121.890 -2.223 25448 1437 1 3 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.528 0.270 25448 1438 1 3 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.597 -1.394 25448 1439 1 3 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.457 0.909 25448 1440 1 3 . 1 1 85 85 GLN H H 85 8.264 8.264 8.859 -0.595 25448 1441 1 3 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.574 -0.152 25448 1442 1 3 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.127 -0.516 25448 1443 1 3 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.208 -0.358 25448 1444 1 3 . 1 1 87 87 ARG N N 87 121.150 121.150 123.643 -2.493 25448 1445 1 3 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.710 -0.305 25448 1446 1 3 . 1 1 87 87 ARG CA C 87 55.600 55.600 53.272 2.328 25448 1447 1 3 . 1 1 87 87 ARG CB C 87 29.301 29.301 29.742 -0.441 25448 1448 1 3 . 1 1 87 87 ARG H H 87 8.254 8.254 8.467 -0.213 25448 1449 1 3 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.462 -0.015 25448 1450 1 3 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.806 0.173 25448 1451 1 3 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.150 0.120 25448 1452 1 3 . 1 1 89 89 VAL N N 89 125.682 125.682 126.606 -0.924 25448 1453 1 3 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.632 -0.131 25448 1454 1 3 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.413 1.998 25448 1455 1 3 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.033 -0.398 25448 1456 1 3 . 1 1 89 89 VAL H H 89 8.678 8.678 8.539 0.139 25448 1457 1 3 . 1 1 90 90 GLU N N 90 117.092 117.092 118.734 -1.642 25448 1458 1 3 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.088 -0.061 25448 1459 1 3 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.412 0.603 25448 1460 1 3 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.804 -0.171 25448 1461 1 3 . 1 1 90 90 GLU H H 90 9.318 9.318 8.911 0.407 25448 1462 1 3 . 1 1 91 91 VAL N N 91 119.967 119.967 120.983 -1.016 25448 1463 1 3 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.822 0.042 25448 1464 1 3 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.649 -0.649 25448 1465 1 3 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.914 -0.013 25448 1466 1 3 . 1 1 91 91 VAL H H 91 7.153 7.153 7.785 -0.632 25448 1467 1 3 . 1 1 92 92 ILE N N 92 122.669 122.669 121.331 1.338 25448 1468 1 3 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.935 -0.625 25448 1469 1 3 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.375 1.336 25448 1470 1 3 . 1 1 92 92 ILE CB C 92 38.563 38.563 38.010 0.553 25448 1471 1 3 . 1 1 92 92 ILE H H 92 8.004 8.004 7.251 0.753 25448 1472 1 3 . 1 1 93 93 ILE N N 93 115.049 115.049 119.723 -4.674 25448 1473 1 3 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.635 -0.103 25448 1474 1 3 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.740 -0.655 25448 1475 1 3 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.856 -0.693 25448 1476 1 3 . 1 1 93 93 ILE H H 93 8.305 8.305 8.422 -0.117 25448 1477 1 3 . 1 1 94 94 SER N N 94 115.196 115.196 116.648 -1.452 25448 1478 1 3 . 1 1 94 94 SER HA H 94 4.101 4.101 4.153 -0.052 25448 1479 1 3 . 1 1 94 94 SER CA C 94 62.300 62.300 62.470 -0.170 25448 1480 1 3 . 1 1 94 94 SER H H 94 7.927 7.927 8.551 -0.624 25448 1481 1 3 . 1 1 95 95 SER N N 95 117.891 117.891 120.315 -2.424 25448 1482 1 3 . 1 1 95 95 SER HA H 95 4.209 4.209 4.185 0.024 25448 1483 1 3 . 1 1 95 95 SER CA C 95 62.100 62.100 62.357 -0.257 25448 1484 1 3 . 1 1 95 95 SER CB C 95 62.714 62.714 62.814 -0.100 25448 1485 1 3 . 1 1 95 95 SER H H 95 8.174 8.174 8.112 0.062 25448 1486 1 3 . 1 1 96 96 ALA N N 96 123.830 123.830 124.309 -0.479 25448 1487 1 3 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.076 -0.185 25448 1488 1 3 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.326 -0.050 25448 1489 1 3 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.318 1.630 25448 1490 1 3 . 1 1 96 96 ALA H H 96 8.110 8.110 8.023 0.087 25448 1491 1 3 . 1 1 97 97 LYS N N 97 115.893 115.893 118.720 -2.827 25448 1492 1 3 . 1 1 97 97 LYS HA H 97 3.808 3.808 4.017 -0.209 25448 1493 1 3 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.167 1.182 25448 1494 1 3 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.449 0.249 25448 1495 1 3 . 1 1 97 97 LYS H H 97 8.218 8.218 8.251 -0.033 25448 1496 1 3 . 1 1 98 98 GLU N N 98 117.006 117.006 118.188 -1.182 25448 1497 1 3 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.058 0.082 25448 1498 1 3 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.720 -0.498 25448 1499 1 3 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.816 -0.040 25448 1500 1 3 . 1 1 98 98 GLU H H 98 7.474 7.474 8.299 -0.825 25448 1501 1 3 . 1 1 99 99 MET N N 99 114.572 114.572 117.361 -2.789 25448 1502 1 3 . 1 1 99 99 MET HA H 99 4.533 4.533 4.363 0.170 25448 1503 1 3 . 1 1 99 99 MET CA C 99 55.292 55.292 56.073 -0.781 25448 1504 1 3 . 1 1 99 99 MET CB C 99 33.777 33.777 33.432 0.345 25448 1505 1 3 . 1 1 99 99 MET H H 99 7.378 7.378 8.057 -0.679 25448 1506 1 3 . 1 1 100 100 VAL N N 100 119.104 119.104 118.469 0.635 25448 1507 1 3 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.519 -0.253 25448 1508 1 3 . 1 1 100 100 VAL CA C 100 66.047 66.047 64.873 1.174 25448 1509 1 3 . 1 1 100 100 VAL CB C 100 31.325 31.325 31.327 -0.002 25448 1510 1 3 . 1 1 100 100 VAL H H 100 7.056 7.056 8.028 -0.972 25448 1511 1 3 . 1 1 101 101 GLY N N 101 116.779 116.779 114.369 2.410 25448 1512 1 3 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.721 -0.070 25448 1513 1 3 . 1 1 101 101 GLY H H 101 8.979 8.979 8.682 0.297 25448 1514 1 3 . 1 1 102 102 GLN N N 102 119.990 119.990 119.950 0.040 25448 1515 1 3 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.518 -0.321 25448 1516 1 3 . 1 1 102 102 GLN C C 102 174.994 174.994 174.865 0.129 25448 1517 1 3 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.597 1.066 25448 1518 1 3 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.339 -1.403 25448 1519 1 3 . 1 1 102 102 GLN H H 102 8.103 8.103 8.084 0.019 25448 1520 1 3 . 1 1 103 103 LYS N N 103 120.261 120.261 119.791 0.470 25448 1521 1 3 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.218 0.048 25448 1522 1 3 . 1 1 103 103 LYS CA C 103 54.642 54.642 54.853 -0.211 25448 1523 1 3 . 1 1 103 103 LYS CB C 103 34.196 34.196 35.778 -1.582 25448 1524 1 3 . 1 1 103 103 LYS H H 103 8.310 8.310 8.313 -0.003 25448 1525 1 3 . 1 1 104 104 MET N N 104 119.868 119.868 121.025 -1.157 25448 1526 1 3 . 1 1 104 104 MET HA H 104 4.692 4.692 4.751 -0.059 25448 1527 1 3 . 1 1 104 104 MET CA C 104 54.276 54.276 54.651 -0.375 25448 1528 1 3 . 1 1 104 104 MET CB C 104 36.831 36.831 36.773 0.058 25448 1529 1 3 . 1 1 104 104 MET H H 104 8.556 8.556 9.014 -0.458 25448 1530 1 3 . 1 1 105 105 LYS N N 105 120.932 120.932 122.676 -1.744 25448 1531 1 3 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.347 0.019 25448 1532 1 3 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.321 0.779 25448 1533 1 3 . 1 1 105 105 LYS CB C 105 32.890 32.890 33.382 -0.492 25448 1534 1 3 . 1 1 105 105 LYS H H 105 8.257 8.257 8.529 -0.272 25448 1535 1 3 . 1 1 106 106 TYR N N 106 122.600 122.600 117.605 4.995 25448 1536 1 3 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.827 -0.409 25448 1537 1 3 . 1 1 106 106 TYR CA C 106 56.726 56.726 56.588 0.138 25448 1538 1 3 . 1 1 106 106 TYR CB C 106 38.561 38.561 39.976 -1.415 25448 1539 1 3 . 1 1 106 106 TYR H H 106 8.378 8.378 8.130 0.248 25448 1540 1 3 . 1 1 107 107 SER N N 107 116.904 116.904 115.373 1.531 25448 1541 1 3 . 1 1 107 107 SER CA C 107 56.717 56.717 60.227 -3.510 25448 1542 1 3 . 1 1 107 107 SER CB C 107 63.983 63.983 62.538 1.445 25448 1543 1 3 . 1 1 107 107 SER H H 107 8.044 8.044 8.988 -0.944 25448 1544 1 3 . 1 1 109 109 VAL HA H 109 4.013 4.013 4.406 -0.393 25448 1545 1 3 . 1 1 109 109 VAL CA C 109 64.307 64.307 60.661 3.646 25448 1546 1 3 . 1 1 109 109 VAL CB C 109 32.000 32.000 34.461 -2.461 25448 1547 1 3 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.351 0.021 25448 1548 1 3 . 1 1 111 111 ARG CA C 111 57.100 57.100 55.152 1.948 25448 1549 1 3 . 1 1 111 111 ARG CB C 111 28.110 28.110 28.213 -0.103 25448 1550 1 3 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.281 0.207 25448 1551 1 3 . 1 1 113 113 CYS CA C 113 61.609 61.609 62.345 -0.736 25448 1552 1 3 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.681 -0.881 25448 1553 1 3 . 1 1 114 114 GLU N N 114 125.287 125.287 121.328 3.959 25448 1554 1 3 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.149 0.290 25448 1555 1 3 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.077 -0.408 25448 1556 1 3 . 1 1 114 114 GLU CB C 114 30.058 30.058 28.265 1.794 25448 1557 1 3 . 1 1 114 114 GLU H H 114 7.720 7.720 7.527 0.193 25448 1558 1 3 . 1 1 115 115 HIS N N 115 119.008 119.008 117.354 1.654 25448 1559 1 3 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.329 0.068 25448 1560 1 3 . 1 1 115 115 HIS CA C 115 58.460 58.460 57.907 0.553 25448 1561 1 3 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.309 0.752 25448 1562 1 3 . 1 1 115 115 HIS H H 115 8.051 8.051 7.876 0.175 25448 1563 1 3 . 1 1 116 116 PHE N N 116 117.059 117.059 121.870 -4.811 25448 1564 1 3 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.186 0.162 25448 1565 1 3 . 1 1 116 116 PHE CA C 116 61.077 61.077 60.896 0.181 25448 1566 1 3 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.898 0.701 25448 1567 1 3 . 1 1 116 116 PHE H H 116 8.168 8.168 8.059 0.109 25448 1568 1 3 . 1 1 117 117 VAL N N 117 107.857 107.857 114.975 -7.118 25448 1569 1 3 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.061 0.804 25448 1570 1 3 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.373 -0.782 25448 1571 1 3 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.638 -1.065 25448 1572 1 3 . 1 1 117 117 VAL H H 117 7.080 7.080 7.965 -0.885 25448 1573 1 3 . 1 1 118 118 THR N N 118 117.382 117.382 112.920 4.462 25448 1574 1 3 . 1 1 118 118 THR HA H 118 4.046 4.046 3.903 0.143 25448 1575 1 3 . 1 1 118 118 THR CA C 118 66.745 66.745 65.533 1.212 25448 1576 1 3 . 1 1 118 118 THR CB C 118 68.185 68.185 68.833 -0.648 25448 1577 1 3 . 1 1 118 118 THR H H 118 8.465 8.465 7.978 0.487 25448 1578 1 3 . 1 1 119 119 GLN N N 119 121.900 121.900 121.511 0.389 25448 1579 1 3 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.158 -0.273 25448 1580 1 3 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.563 0.439 25448 1581 1 3 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.383 -0.772 25448 1582 1 3 . 1 1 119 119 GLN H H 119 8.074 8.074 7.586 0.488 25448 1583 1 3 . 1 1 120 120 LEU N N 120 117.899 117.899 118.655 -0.756 25448 1584 1 3 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.920 -0.085 25448 1585 1 3 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.846 -0.419 25448 1586 1 3 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.232 1.002 25448 1587 1 3 . 1 1 120 120 LEU H H 120 6.829 6.829 7.508 -0.679 25448 1588 1 3 . 1 1 121 121 ARG N N 121 117.250 117.250 118.474 -1.224 25448 1589 1 3 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.143 -0.223 25448 1590 1 3 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.669 0.374 25448 1591 1 3 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.811 -0.555 25448 1592 1 3 . 1 1 121 121 ARG H H 121 7.677 7.677 7.746 -0.069 25448 1593 1 3 . 1 1 122 122 TYR N N 122 111.508 111.508 121.036 -9.528 25448 1594 1 3 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.188 0.452 25448 1595 1 3 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.089 -1.567 25448 1596 1 3 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.482 1.192 25448 1597 1 3 . 1 1 122 122 TYR H H 122 8.114 8.114 8.638 -0.524 25448 1598 1 3 . 1 1 123 123 GLY N N 123 109.399 109.399 105.179 4.220 25448 1599 1 3 . 1 1 123 123 GLY CA C 123 45.341 45.341 45.084 0.257 25448 1600 1 3 . 1 1 123 123 GLY H H 123 8.032 8.032 7.770 0.262 25448 1601 1 3 . 1 1 124 124 LYS N N 124 117.936 117.936 119.605 -1.669 25448 1602 1 3 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.702 -0.350 25448 1603 1 3 . 1 1 124 124 LYS CA C 124 55.200 55.200 54.439 0.761 25448 1604 1 3 . 1 1 124 124 LYS CB C 124 33.998 33.998 35.023 -1.025 25448 1605 1 3 . 1 1 124 124 LYS H H 124 7.402 7.402 7.563 -0.161 25448 1606 1 4 . 1 1 3 3 SER N N 3 113.812 113.812 116.618 -2.806 25448 1607 1 4 . 1 1 3 3 SER HA H 3 4.697 4.697 4.895 -0.198 25448 1608 1 4 . 1 1 3 3 SER CA C 3 58.996 58.996 57.250 1.746 25448 1609 1 4 . 1 1 3 3 SER CB C 3 63.800 63.800 63.297 0.503 25448 1610 1 4 . 1 1 3 3 SER H H 3 7.587 7.587 8.678 -1.091 25448 1611 1 4 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.666 -0.253 25448 1612 1 4 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.165 0.189 25448 1613 1 4 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.713 -0.813 25448 1614 1 4 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.710 -0.153 25448 1615 1 4 . 1 1 5 5 HIS CA C 5 56.230 56.230 55.502 0.728 25448 1616 1 4 . 1 1 5 5 HIS CB C 5 30.500 30.500 31.722 -1.222 25448 1617 1 4 . 1 1 5 5 HIS H H 5 6.984 6.984 8.243 -1.259 25448 1618 1 4 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.355 -0.067 25448 1619 1 4 . 1 1 6 6 GLN CA C 6 55.174 55.174 56.158 -0.984 25448 1620 1 4 . 1 1 6 6 GLN CB C 6 30.042 30.042 29.288 0.754 25448 1621 1 4 . 1 1 7 7 GLU N N 7 124.477 124.477 122.307 2.170 25448 1622 1 4 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.678 -0.189 25448 1623 1 4 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.210 0.901 25448 1624 1 4 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.050 -1.138 25448 1625 1 4 . 1 1 7 7 GLU H H 7 8.353 8.353 8.392 -0.039 25448 1626 1 4 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.469 -0.125 25448 1627 1 4 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.520 -0.122 25448 1628 1 4 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.232 -0.832 25448 1629 1 4 . 1 1 9 9 LYS N N 9 122.328 122.328 120.653 1.675 25448 1630 1 4 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.910 -0.037 25448 1631 1 4 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.745 0.406 25448 1632 1 4 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.633 -1.494 25448 1633 1 4 . 1 1 9 9 LYS H H 9 9.336 9.336 9.286 0.050 25448 1634 1 4 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.171 -0.248 25448 1635 1 4 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.482 0.052 25448 1636 1 4 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.451 0.178 25448 1637 1 4 . 1 1 11 11 GLY N N 11 112.758 112.758 114.109 -1.351 25448 1638 1 4 . 1 1 11 11 GLY CA C 11 45.182 45.182 45.286 -0.104 25448 1639 1 4 . 1 1 11 11 GLY H H 11 9.359 9.359 8.952 0.407 25448 1640 1 4 . 1 1 12 12 ASP N N 12 120.500 120.500 120.595 -0.095 25448 1641 1 4 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.973 -0.103 25448 1642 1 4 . 1 1 12 12 ASP CA C 12 55.211 55.211 53.254 1.957 25448 1643 1 4 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.612 1.334 25448 1644 1 4 . 1 1 12 12 ASP H H 12 8.277 8.277 7.901 0.376 25448 1645 1 4 . 1 1 13 13 LEU N N 13 119.594 119.594 120.181 -0.587 25448 1646 1 4 . 1 1 13 13 LEU HA H 13 4.977 4.977 5.068 -0.091 25448 1647 1 4 . 1 1 13 13 LEU CA C 13 53.989 53.989 53.921 0.068 25448 1648 1 4 . 1 1 13 13 LEU CB C 13 41.198 41.198 41.462 -0.265 25448 1649 1 4 . 1 1 13 13 LEU H H 13 9.103 9.103 8.873 0.230 25448 1650 1 4 . 1 1 14 14 ILE N N 14 121.352 121.352 125.540 -4.188 25448 1651 1 4 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.586 0.024 25448 1652 1 4 . 1 1 14 14 ILE CA C 14 58.178 58.178 60.611 -2.433 25448 1653 1 4 . 1 1 14 14 ILE CB C 14 39.213 39.213 39.209 0.005 25448 1654 1 4 . 1 1 14 14 ILE H H 14 9.221 9.221 9.216 0.005 25448 1655 1 4 . 1 1 15 15 GLU N N 15 129.555 129.555 128.192 1.363 25448 1656 1 4 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.392 -1.174 25448 1657 1 4 . 1 1 15 15 GLU CA C 15 54.448 54.448 55.679 -1.231 25448 1658 1 4 . 1 1 15 15 GLU CB C 15 31.783 31.783 29.948 1.835 25448 1659 1 4 . 1 1 15 15 GLU H H 15 8.625 8.625 8.979 -0.354 25448 1660 1 4 . 1 1 16 16 ILE N N 16 125.258 125.258 124.603 0.655 25448 1661 1 4 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.739 -0.630 25448 1662 1 4 . 1 1 16 16 ILE CA C 16 60.500 60.500 60.534 -0.034 25448 1663 1 4 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.174 0.227 25448 1664 1 4 . 1 1 16 16 ILE H H 16 8.557 8.557 9.017 -0.460 25448 1665 1 4 . 1 1 17 17 PHE N N 17 127.058 127.058 127.809 -0.751 25448 1666 1 4 . 1 1 17 17 PHE HA H 17 4.502 4.502 5.135 -0.633 25448 1667 1 4 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.971 1.968 25448 1668 1 4 . 1 1 17 17 PHE CB C 17 37.496 37.496 39.235 -1.739 25448 1669 1 4 . 1 1 17 17 PHE H H 17 8.500 8.500 9.401 -0.901 25448 1670 1 4 . 1 1 18 18 ARG N N 18 124.569 124.569 121.857 2.712 25448 1671 1 4 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.622 0.028 25448 1672 1 4 . 1 1 18 18 ARG CA C 18 54.596 54.596 54.564 0.032 25448 1673 1 4 . 1 1 18 18 ARG CB C 18 30.206 30.206 31.903 -1.697 25448 1674 1 4 . 1 1 18 18 ARG H H 18 7.686 7.686 8.890 -1.204 25448 1675 1 4 . 1 1 19 19 LEU N N 19 121.049 121.049 122.293 -1.244 25448 1676 1 4 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.178 0.246 25448 1677 1 4 . 1 1 19 19 LEU CA C 19 56.123 56.123 55.991 0.132 25448 1678 1 4 . 1 1 19 19 LEU CB C 19 40.296 40.296 39.402 0.894 25448 1679 1 4 . 1 1 19 19 LEU H H 19 8.103 8.103 8.863 -0.760 25448 1680 1 4 . 1 1 20 20 GLY N N 20 115.623 115.623 113.550 2.073 25448 1681 1 4 . 1 1 20 20 GLY CA C 20 45.736 45.736 44.932 0.804 25448 1682 1 4 . 1 1 20 20 GLY H H 20 8.686 8.686 8.793 -0.107 25448 1683 1 4 . 1 1 21 21 TYR N N 21 115.905 115.905 120.044 -4.139 25448 1684 1 4 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.703 0.057 25448 1685 1 4 . 1 1 21 21 TYR CA C 21 56.507 56.507 57.047 -0.540 25448 1686 1 4 . 1 1 21 21 TYR CB C 21 38.631 38.631 41.468 -2.837 25448 1687 1 4 . 1 1 21 21 TYR H H 21 7.433 7.433 7.594 -0.161 25448 1688 1 4 . 1 1 22 22 GLU N N 22 116.649 116.649 122.797 -6.148 25448 1689 1 4 . 1 1 22 22 GLU HA H 22 5.160 5.160 5.057 0.103 25448 1690 1 4 . 1 1 22 22 GLU CA C 22 56.255 56.255 54.930 1.325 25448 1691 1 4 . 1 1 22 22 GLU CB C 22 32.167 32.167 31.042 1.125 25448 1692 1 4 . 1 1 22 22 GLU H H 22 8.139 8.139 8.669 -0.530 25448 1693 1 4 . 1 1 23 23 HIS N N 23 122.171 122.171 121.739 0.432 25448 1694 1 4 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.638 0.950 25448 1695 1 4 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.936 -0.775 25448 1696 1 4 . 1 1 23 23 HIS CB C 23 34.370 34.370 32.687 1.683 25448 1697 1 4 . 1 1 23 23 HIS H H 23 8.943 8.943 9.145 -0.202 25448 1698 1 4 . 1 1 24 24 TRP N N 24 124.412 124.412 123.399 1.013 25448 1699 1 4 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.416 0.281 25448 1700 1 4 . 1 1 24 24 TRP CA C 24 55.906 55.906 55.530 0.376 25448 1701 1 4 . 1 1 24 24 TRP CB C 24 33.156 33.156 31.654 1.502 25448 1702 1 4 . 1 1 24 24 TRP H H 24 6.764 6.764 8.431 -1.667 25448 1703 1 4 . 1 1 25 25 ALA N N 25 121.149 121.149 123.621 -2.472 25448 1704 1 4 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.036 -0.175 25448 1705 1 4 . 1 1 25 25 ALA CA C 25 50.352 50.352 50.448 -0.096 25448 1706 1 4 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.404 -0.451 25448 1707 1 4 . 1 1 25 25 ALA H H 25 9.336 9.336 9.358 -0.022 25448 1708 1 4 . 1 1 26 26 LEU N N 26 122.472 122.472 123.183 -0.711 25448 1709 1 4 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.253 0.007 25448 1710 1 4 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.885 0.756 25448 1711 1 4 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.303 2.118 25448 1712 1 4 . 1 1 26 26 LEU H H 26 8.835 8.835 8.978 -0.143 25448 1713 1 4 . 1 1 27 27 TYR N N 27 128.215 128.215 129.128 -0.913 25448 1714 1 4 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.777 -0.025 25448 1715 1 4 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.131 1.671 25448 1716 1 4 . 1 1 27 27 TYR CB C 27 38.670 38.670 40.188 -1.518 25448 1717 1 4 . 1 1 27 27 TYR H H 27 9.750 9.750 8.967 0.783 25448 1718 1 4 . 1 1 28 28 ILE N N 28 119.796 119.796 122.053 -2.257 25448 1719 1 4 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.400 0.173 25448 1720 1 4 . 1 1 28 28 ILE CA C 28 60.818 60.818 59.785 1.033 25448 1721 1 4 . 1 1 28 28 ILE CB C 28 38.900 38.900 38.425 0.475 25448 1722 1 4 . 1 1 28 28 ILE H H 28 8.196 8.196 8.123 0.073 25448 1723 1 4 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.540 -1.540 25448 1724 1 4 . 1 1 29 29 GLY H H 29 6.584 6.584 7.436 -0.852 25448 1725 1 4 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.651 -0.229 25448 1726 1 4 . 1 1 30 30 ASP CA C 30 55.640 55.640 53.682 1.958 25448 1727 1 4 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.551 -0.298 25448 1728 1 4 . 1 1 30 30 ASP H H 30 6.837 6.837 8.120 -1.283 25448 1729 1 4 . 1 1 31 31 GLY N N 31 124.953 124.953 106.308 18.645 25448 1730 1 4 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.588 -0.050 25448 1731 1 4 . 1 1 31 31 GLY H H 31 8.120 8.120 7.417 0.703 25448 1732 1 4 . 1 1 32 32 TYR N N 32 120.196 120.196 120.494 -0.298 25448 1733 1 4 . 1 1 32 32 TYR HA H 32 4.930 4.930 4.985 -0.055 25448 1734 1 4 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.084 0.704 25448 1735 1 4 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.626 1.369 25448 1736 1 4 . 1 1 32 32 TYR H H 32 7.843 7.843 7.556 0.287 25448 1737 1 4 . 1 1 33 33 VAL N N 33 109.892 109.892 113.660 -3.768 25448 1738 1 4 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.240 0.226 25448 1739 1 4 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.552 -2.092 25448 1740 1 4 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.648 -0.491 25448 1741 1 4 . 1 1 33 33 VAL H H 33 9.242 9.242 9.324 -0.082 25448 1742 1 4 . 1 1 34 34 ILE N N 34 119.424 119.424 122.128 -2.704 25448 1743 1 4 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.401 0.154 25448 1744 1 4 . 1 1 34 34 ILE CA C 34 60.331 60.331 59.886 0.445 25448 1745 1 4 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.694 0.238 25448 1746 1 4 . 1 1 34 34 ILE H H 34 9.084 9.084 9.041 0.043 25448 1747 1 4 . 1 1 35 35 HIS N N 35 123.118 123.118 120.822 2.296 25448 1748 1 4 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.306 -0.148 25448 1749 1 4 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.983 -0.764 25448 1750 1 4 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.322 2.678 25448 1751 1 4 . 1 1 35 35 HIS H H 35 9.110 9.110 9.092 0.018 25448 1752 1 4 . 1 1 36 36 LEU N N 36 123.704 123.704 121.617 2.087 25448 1753 1 4 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.771 -0.686 25448 1754 1 4 . 1 1 36 36 LEU CA C 36 53.682 53.682 53.803 -0.121 25448 1755 1 4 . 1 1 36 36 LEU CB C 36 41.631 41.631 44.730 -3.099 25448 1756 1 4 . 1 1 36 36 LEU H H 36 8.991 8.991 8.841 0.150 25448 1757 1 4 . 1 1 37 37 ALA N N 37 129.765 129.765 127.596 2.169 25448 1758 1 4 . 1 1 37 37 ALA HA H 37 4.327 4.327 5.003 -0.676 25448 1759 1 4 . 1 1 37 37 ALA CA C 37 49.698 49.698 48.977 0.721 25448 1760 1 4 . 1 1 37 37 ALA CB C 37 19.428 19.428 20.108 -0.680 25448 1761 1 4 . 1 1 37 37 ALA H H 37 8.050 8.050 8.734 -0.684 25448 1762 1 4 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.339 -0.335 25448 1763 1 4 . 1 1 38 38 PRO CA C 38 60.800 60.800 60.760 0.040 25448 1764 1 4 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.404 -0.876 25448 1765 1 4 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.501 -0.127 25448 1766 1 4 . 1 1 39 39 PRO CA C 39 62.900 62.900 63.006 -0.106 25448 1767 1 4 . 1 1 39 39 PRO CB C 39 32.000 32.000 31.836 0.164 25448 1768 1 4 . 1 1 40 40 SER N N 40 114.906 114.906 118.232 -3.326 25448 1769 1 4 . 1 1 40 40 SER HA H 40 4.326 4.326 4.289 0.037 25448 1770 1 4 . 1 1 40 40 SER CA C 40 58.700 58.700 60.245 -1.545 25448 1771 1 4 . 1 1 40 40 SER CB C 40 64.004 64.004 63.102 0.902 25448 1772 1 4 . 1 1 40 40 SER H H 40 8.184 8.184 8.678 -0.494 25448 1773 1 4 . 1 1 41 41 GLU N N 41 121.221 121.221 120.801 0.420 25448 1774 1 4 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.363 -0.102 25448 1775 1 4 . 1 1 41 41 GLU CA C 41 56.424 56.424 55.409 1.015 25448 1776 1 4 . 1 1 41 41 GLU CB C 41 30.514 30.514 29.472 1.042 25448 1777 1 4 . 1 1 41 41 GLU H H 41 8.401 8.401 8.008 0.393 25448 1778 1 4 . 1 1 42 42 TYR N N 42 121.900 121.900 122.530 -0.630 25448 1779 1 4 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.337 0.443 25448 1780 1 4 . 1 1 42 42 TYR CA C 42 55.700 55.700 56.539 -0.839 25448 1781 1 4 . 1 1 42 42 TYR CB C 42 38.400 38.400 39.051 -0.651 25448 1782 1 4 . 1 1 42 42 TYR H H 42 8.117 8.117 7.640 0.477 25448 1783 1 4 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.532 -0.129 25448 1784 1 4 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.611 0.869 25448 1785 1 4 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.960 -1.160 25448 1786 1 4 . 1 1 44 44 GLY N N 44 109.030 109.030 109.615 -0.585 25448 1787 1 4 . 1 1 44 44 GLY CA C 44 45.244 45.244 44.839 0.405 25448 1788 1 4 . 1 1 44 44 GLY H H 44 8.001 8.001 8.546 -0.545 25448 1789 1 4 . 1 1 45 45 ALA N N 45 123.500 123.500 124.211 -0.711 25448 1790 1 4 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.456 -0.144 25448 1791 1 4 . 1 1 45 45 ALA CA C 45 52.853 52.853 52.166 0.687 25448 1792 1 4 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.553 -0.231 25448 1793 1 4 . 1 1 45 45 ALA H H 45 8.082 8.082 7.675 0.407 25448 1794 1 4 . 1 1 46 46 GLY N N 46 108.151 108.151 109.249 -1.098 25448 1795 1 4 . 1 1 46 46 GLY CA C 46 45.460 45.460 46.707 -1.247 25448 1796 1 4 . 1 1 46 46 GLY H H 46 8.408 8.408 8.948 -0.540 25448 1797 1 4 . 1 1 48 48 SER N N 48 116.904 116.904 114.788 2.116 25448 1798 1 4 . 1 1 48 48 SER HA H 48 4.700 4.700 4.566 0.134 25448 1799 1 4 . 1 1 48 48 SER H H 48 8.044 8.044 7.876 0.168 25448 1800 1 4 . 1 1 49 49 SER HA H 49 4.456 4.456 4.215 0.241 25448 1801 1 4 . 1 1 49 49 SER CA C 49 58.713 58.713 59.282 -0.569 25448 1802 1 4 . 1 1 49 49 SER CB C 49 64.000 64.000 62.351 1.649 25448 1803 1 4 . 1 1 50 50 VAL N N 50 120.352 120.352 116.784 3.568 25448 1804 1 4 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.983 0.050 25448 1805 1 4 . 1 1 50 50 VAL CA C 50 62.816 62.816 64.376 -1.560 25448 1806 1 4 . 1 1 50 50 VAL CB C 50 32.416 32.416 30.511 1.905 25448 1807 1 4 . 1 1 50 50 VAL H H 50 7.890 7.890 7.509 0.381 25448 1808 1 4 . 1 1 51 51 PHE N N 51 121.600 121.600 116.200 5.400 25448 1809 1 4 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.936 -0.360 25448 1810 1 4 . 1 1 51 51 PHE CA C 51 58.198 58.198 59.431 -1.233 25448 1811 1 4 . 1 1 51 51 PHE CB C 51 39.470 39.470 38.492 0.978 25448 1812 1 4 . 1 1 51 51 PHE H H 51 7.989 7.989 7.591 0.398 25448 1813 1 4 . 1 1 52 52 SER N N 52 116.521 116.521 112.379 4.142 25448 1814 1 4 . 1 1 52 52 SER HA H 52 4.429 4.429 4.434 -0.005 25448 1815 1 4 . 1 1 52 52 SER C C 52 174.445 174.445 174.876 -0.431 25448 1816 1 4 . 1 1 52 52 SER CA C 52 58.365 58.365 57.839 0.526 25448 1817 1 4 . 1 1 52 52 SER CB C 52 64.018 64.018 65.405 -1.387 25448 1818 1 4 . 1 1 52 52 SER H H 52 8.018 8.018 7.263 0.755 25448 1819 1 4 . 1 1 53 53 VAL N N 53 120.571 120.571 119.679 0.892 25448 1820 1 4 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.143 -0.040 25448 1821 1 4 . 1 1 53 53 VAL CA C 53 62.979 62.979 62.401 0.578 25448 1822 1 4 . 1 1 53 53 VAL CB C 53 32.416 32.416 32.742 -0.326 25448 1823 1 4 . 1 1 53 53 VAL H H 53 7.959 7.959 7.761 0.198 25448 1824 1 4 . 1 1 54 54 LEU N N 54 123.703 123.703 119.076 4.627 25448 1825 1 4 . 1 1 54 54 LEU HA H 54 4.366 4.366 3.972 0.394 25448 1826 1 4 . 1 1 54 54 LEU CA C 54 55.500 55.500 55.532 -0.032 25448 1827 1 4 . 1 1 54 54 LEU CB C 54 42.293 42.293 41.441 0.852 25448 1828 1 4 . 1 1 54 54 LEU H H 54 8.095 8.095 8.194 -0.099 25448 1829 1 4 . 1 1 55 55 SER N N 55 115.309 115.309 112.401 2.908 25448 1830 1 4 . 1 1 55 55 SER HA H 55 4.399 4.399 5.067 -0.668 25448 1831 1 4 . 1 1 55 55 SER CA C 55 58.365 58.365 57.255 1.111 25448 1832 1 4 . 1 1 55 55 SER CB C 55 64.110 64.110 66.048 -1.938 25448 1833 1 4 . 1 1 55 55 SER H H 55 8.063 8.063 8.107 -0.044 25448 1834 1 4 . 1 1 56 56 ASN HA H 56 4.918 4.918 5.122 -0.204 25448 1835 1 4 . 1 1 56 56 ASN CA C 56 53.151 53.151 52.352 0.798 25448 1836 1 4 . 1 1 56 56 ASN CB C 56 39.339 39.339 43.003 -3.664 25448 1837 1 4 . 1 1 57 57 SER N N 57 115.102 115.102 115.500 -0.398 25448 1838 1 4 . 1 1 57 57 SER HA H 57 4.694 4.694 5.262 -0.568 25448 1839 1 4 . 1 1 57 57 SER CA C 57 58.307 58.307 57.729 0.578 25448 1840 1 4 . 1 1 57 57 SER CB C 57 64.838 64.838 64.448 0.390 25448 1841 1 4 . 1 1 57 57 SER H H 57 8.065 8.065 8.499 -0.434 25448 1842 1 4 . 1 1 58 58 ALA N N 58 125.610 125.610 127.434 -1.824 25448 1843 1 4 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.773 -0.279 25448 1844 1 4 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.179 1.101 25448 1845 1 4 . 1 1 58 58 ALA CB C 58 22.479 22.479 21.584 0.895 25448 1846 1 4 . 1 1 58 58 ALA H H 58 8.548 8.548 8.922 -0.374 25448 1847 1 4 . 1 1 59 59 GLU N N 59 120.190 120.190 121.343 -1.153 25448 1848 1 4 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.135 -0.102 25448 1849 1 4 . 1 1 59 59 GLU CA C 59 54.004 54.004 53.669 0.335 25448 1850 1 4 . 1 1 59 59 GLU CB C 59 34.292 34.292 34.098 0.194 25448 1851 1 4 . 1 1 59 59 GLU H H 59 8.116 8.116 8.590 -0.474 25448 1852 1 4 . 1 1 60 60 VAL N N 60 125.380 125.380 125.171 0.209 25448 1853 1 4 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.047 0.291 25448 1854 1 4 . 1 1 60 60 VAL CA C 60 62.784 62.784 62.374 0.410 25448 1855 1 4 . 1 1 60 60 VAL CB C 60 30.756 30.756 30.631 0.126 25448 1856 1 4 . 1 1 60 60 VAL H H 60 8.531 8.531 8.784 -0.253 25448 1857 1 4 . 1 1 61 61 LYS N N 61 129.548 129.548 127.696 1.852 25448 1858 1 4 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.719 0.181 25448 1859 1 4 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.417 1.167 25448 1860 1 4 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.021 1.013 25448 1861 1 4 . 1 1 61 61 LYS H H 61 9.068 9.068 8.763 0.305 25448 1862 1 4 . 1 1 62 62 ARG N N 62 123.653 123.653 122.904 0.749 25448 1863 1 4 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.382 0.320 25448 1864 1 4 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.180 -0.794 25448 1865 1 4 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.623 -0.665 25448 1866 1 4 . 1 1 62 62 ARG H H 62 8.749 8.749 8.591 0.158 25448 1867 1 4 . 1 1 63 63 GLU N N 63 125.033 125.033 124.172 0.861 25448 1868 1 4 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.839 0.159 25448 1869 1 4 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.838 0.040 25448 1870 1 4 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.009 2.974 25448 1871 1 4 . 1 1 63 63 GLU H H 63 8.973 8.973 9.098 -0.125 25448 1872 1 4 . 1 1 64 64 ARG N N 64 121.855 121.855 120.177 1.678 25448 1873 1 4 . 1 1 64 64 ARG HA H 64 3.900 3.900 3.909 -0.009 25448 1874 1 4 . 1 1 64 64 ARG CA C 64 56.900 56.900 57.321 -0.421 25448 1875 1 4 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.292 -0.746 25448 1876 1 4 . 1 1 64 64 ARG H H 64 9.273 9.273 8.671 0.602 25448 1877 1 4 . 1 1 65 65 LEU N N 65 124.611 124.611 126.001 -1.390 25448 1878 1 4 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.864 -0.294 25448 1879 1 4 . 1 1 65 65 LEU CA C 65 59.010 59.010 59.126 -0.116 25448 1880 1 4 . 1 1 65 65 LEU CB C 65 41.723 41.723 42.059 -0.336 25448 1881 1 4 . 1 1 65 65 LEU H H 65 8.823 8.823 8.632 0.191 25448 1882 1 4 . 1 1 66 66 GLU N N 66 115.188 115.188 118.245 -3.057 25448 1883 1 4 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.730 0.105 25448 1884 1 4 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.853 -0.199 25448 1885 1 4 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.660 0.500 25448 1886 1 4 . 1 1 66 66 GLU H H 66 9.360 9.360 8.736 0.624 25448 1887 1 4 . 1 1 67 67 ASP N N 67 118.590 118.590 118.148 0.442 25448 1888 1 4 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.401 0.059 25448 1889 1 4 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.685 -0.118 25448 1890 1 4 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.773 -0.103 25448 1891 1 4 . 1 1 67 67 ASP H H 67 6.806 6.806 8.168 -1.362 25448 1892 1 4 . 1 1 68 68 VAL N N 68 119.985 119.985 118.728 1.257 25448 1893 1 4 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.726 -0.110 25448 1894 1 4 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.531 -0.461 25448 1895 1 4 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.689 0.478 25448 1896 1 4 . 1 1 68 68 VAL H H 68 7.414 7.414 8.072 -0.658 25448 1897 1 4 . 1 1 69 69 VAL N N 69 116.972 116.972 118.019 -1.047 25448 1898 1 4 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.649 -0.147 25448 1899 1 4 . 1 1 69 69 VAL CA C 69 65.337 65.337 64.074 1.263 25448 1900 1 4 . 1 1 69 69 VAL CB C 69 32.036 32.036 31.859 0.177 25448 1901 1 4 . 1 1 69 69 VAL H H 69 8.261 8.261 8.382 -0.121 25448 1902 1 4 . 1 1 70 70 GLY N N 70 107.311 107.311 108.000 -0.689 25448 1903 1 4 . 1 1 70 70 GLY CA C 70 47.610 47.610 45.943 1.667 25448 1904 1 4 . 1 1 70 70 GLY H H 70 7.395 7.395 8.080 -0.685 25448 1905 1 4 . 1 1 71 71 GLY N N 71 110.582 110.582 109.879 0.703 25448 1906 1 4 . 1 1 71 71 GLY CA C 71 45.176 45.176 44.769 0.407 25448 1907 1 4 . 1 1 71 71 GLY H H 71 8.831 8.831 8.528 0.303 25448 1908 1 4 . 1 1 72 72 CYS N N 72 118.742 118.742 119.685 -0.943 25448 1909 1 4 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.514 -0.016 25448 1910 1 4 . 1 1 72 72 CYS CA C 72 60.154 60.154 59.816 0.338 25448 1911 1 4 . 1 1 72 72 CYS CB C 72 29.295 29.295 29.408 -0.113 25448 1912 1 4 . 1 1 72 72 CYS H H 72 7.613 7.613 7.681 -0.068 25448 1913 1 4 . 1 1 73 73 CYS N N 73 120.205 120.205 121.618 -1.413 25448 1914 1 4 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.847 -0.316 25448 1915 1 4 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.577 0.215 25448 1916 1 4 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.371 -0.325 25448 1917 1 4 . 1 1 73 73 CYS H H 73 9.007 9.007 8.764 0.243 25448 1918 1 4 . 1 1 74 74 TYR N N 74 119.008 119.008 117.869 1.139 25448 1919 1 4 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.787 -0.190 25448 1920 1 4 . 1 1 74 74 TYR CA C 74 55.590 55.590 55.920 -0.330 25448 1921 1 4 . 1 1 74 74 TYR CB C 74 41.876 41.876 42.197 -0.321 25448 1922 1 4 . 1 1 74 74 TYR H H 74 8.141 8.141 8.099 0.042 25448 1923 1 4 . 1 1 75 75 ARG N N 75 115.457 115.457 117.460 -2.003 25448 1924 1 4 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.526 0.113 25448 1925 1 4 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.871 -0.876 25448 1926 1 4 . 1 1 75 75 ARG CB C 75 33.235 33.235 33.733 -0.497 25448 1927 1 4 . 1 1 75 75 ARG H H 75 9.008 9.008 8.870 0.138 25448 1928 1 4 . 1 1 76 76 VAL N N 76 123.071 123.071 122.170 0.901 25448 1929 1 4 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.434 0.129 25448 1930 1 4 . 1 1 76 76 VAL CA C 76 62.968 62.968 62.172 0.796 25448 1931 1 4 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.334 -0.369 25448 1932 1 4 . 1 1 76 76 VAL H H 76 8.511 8.511 9.220 -0.709 25448 1933 1 4 . 1 1 77 77 ASN N N 77 126.125 126.125 126.092 0.033 25448 1934 1 4 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.693 0.162 25448 1935 1 4 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.923 -0.851 25448 1936 1 4 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.531 -0.891 25448 1937 1 4 . 1 1 77 77 ASN H H 77 8.824 8.824 8.814 0.010 25448 1938 1 4 . 1 1 78 78 ASN N N 78 124.269 124.269 122.144 2.125 25448 1939 1 4 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.830 0.516 25448 1940 1 4 . 1 1 78 78 ASN CA C 78 52.124 52.124 53.173 -1.049 25448 1941 1 4 . 1 1 78 78 ASN CB C 78 36.948 36.948 38.241 -1.293 25448 1942 1 4 . 1 1 78 78 ASN H H 78 8.685 8.685 8.579 0.106 25448 1943 1 4 . 1 1 79 79 SER N N 79 117.959 117.959 119.046 -1.087 25448 1944 1 4 . 1 1 79 79 SER HA H 79 4.112 4.112 4.274 -0.162 25448 1945 1 4 . 1 1 79 79 SER CA C 79 62.669 62.669 60.123 2.546 25448 1946 1 4 . 1 1 79 79 SER CB C 79 63.727 63.727 63.654 0.073 25448 1947 1 4 . 1 1 79 79 SER H H 79 8.109 8.109 8.479 -0.370 25448 1948 1 4 . 1 1 80 80 LEU N N 80 121.272 121.272 122.250 -0.978 25448 1949 1 4 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.048 0.422 25448 1950 1 4 . 1 1 80 80 LEU CA C 80 55.542 55.542 56.127 -0.584 25448 1951 1 4 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.622 -0.122 25448 1952 1 4 . 1 1 80 80 LEU H H 80 7.947 7.947 7.969 -0.022 25448 1953 1 4 . 1 1 81 81 ASP N N 81 121.692 121.692 119.407 2.285 25448 1954 1 4 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.352 0.738 25448 1955 1 4 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.821 -0.217 25448 1956 1 4 . 1 1 81 81 ASP CB C 81 40.300 40.300 40.801 -0.501 25448 1957 1 4 . 1 1 81 81 ASP H H 81 8.294 8.294 8.516 -0.222 25448 1958 1 4 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.538 -0.083 25448 1959 1 4 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.366 0.534 25448 1960 1 4 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.307 -0.541 25448 1961 1 4 . 1 1 83 83 GLU N N 83 118.940 118.940 118.192 0.748 25448 1962 1 4 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.077 0.076 25448 1963 1 4 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.211 -0.341 25448 1964 1 4 . 1 1 83 83 GLU CB C 83 32.422 32.422 30.810 1.612 25448 1965 1 4 . 1 1 83 83 GLU H H 83 7.476 7.476 7.637 -0.161 25448 1966 1 4 . 1 1 84 84 TYR N N 84 119.225 119.225 117.770 1.455 25448 1967 1 4 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.849 -0.083 25448 1968 1 4 . 1 1 84 84 TYR CA C 84 54.923 54.923 55.775 -0.852 25448 1969 1 4 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.464 1.760 25448 1970 1 4 . 1 1 84 84 TYR H H 84 8.207 8.207 7.810 0.397 25448 1971 1 4 . 1 1 85 85 GLN N N 85 119.667 119.667 120.624 -0.957 25448 1972 1 4 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.571 0.227 25448 1973 1 4 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.195 -0.992 25448 1974 1 4 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.502 0.864 25448 1975 1 4 . 1 1 85 85 GLN H H 85 8.264 8.264 8.608 -0.344 25448 1976 1 4 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.444 -0.022 25448 1977 1 4 . 1 1 86 86 PRO CA C 86 62.611 62.611 62.986 -0.375 25448 1978 1 4 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.445 -0.595 25448 1979 1 4 . 1 1 87 87 ARG N N 87 121.150 121.150 121.603 -0.453 25448 1980 1 4 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.579 -0.174 25448 1981 1 4 . 1 1 87 87 ARG CA C 87 55.600 55.600 52.703 2.897 25448 1982 1 4 . 1 1 87 87 ARG CB C 87 29.301 29.301 28.578 0.724 25448 1983 1 4 . 1 1 87 87 ARG H H 87 8.254 8.254 8.474 -0.220 25448 1984 1 4 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.509 -0.062 25448 1985 1 4 . 1 1 88 88 PRO CA C 88 62.979 62.979 63.000 -0.021 25448 1986 1 4 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.073 0.197 25448 1987 1 4 . 1 1 89 89 VAL N N 89 125.682 125.682 126.763 -1.081 25448 1988 1 4 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.632 -0.131 25448 1989 1 4 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.930 1.481 25448 1990 1 4 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.270 -0.635 25448 1991 1 4 . 1 1 89 89 VAL H H 89 8.678 8.678 8.642 0.036 25448 1992 1 4 . 1 1 90 90 GLU N N 90 117.092 117.092 118.743 -1.651 25448 1993 1 4 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.084 -0.057 25448 1994 1 4 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.296 0.719 25448 1995 1 4 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.890 -0.257 25448 1996 1 4 . 1 1 90 90 GLU H H 90 9.318 9.318 8.956 0.362 25448 1997 1 4 . 1 1 91 91 VAL N N 91 119.967 119.967 120.106 -0.139 25448 1998 1 4 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.749 0.115 25448 1999 1 4 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.591 -0.591 25448 2000 1 4 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.711 0.190 25448 2001 1 4 . 1 1 91 91 VAL H H 91 7.153 7.153 7.630 -0.477 25448 2002 1 4 . 1 1 92 92 ILE N N 92 122.669 122.669 121.402 1.267 25448 2003 1 4 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.754 -0.444 25448 2004 1 4 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.464 1.247 25448 2005 1 4 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.917 0.646 25448 2006 1 4 . 1 1 92 92 ILE H H 92 8.004 8.004 7.529 0.475 25448 2007 1 4 . 1 1 93 93 ILE N N 93 115.049 115.049 119.731 -4.682 25448 2008 1 4 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.605 -0.073 25448 2009 1 4 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.550 -0.465 25448 2010 1 4 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.584 -0.421 25448 2011 1 4 . 1 1 93 93 ILE H H 93 8.305 8.305 8.332 -0.027 25448 2012 1 4 . 1 1 94 94 SER N N 94 115.196 115.196 115.884 -0.688 25448 2013 1 4 . 1 1 94 94 SER HA H 94 4.101 4.101 4.083 0.018 25448 2014 1 4 . 1 1 94 94 SER CA C 94 62.300 62.300 61.655 0.645 25448 2015 1 4 . 1 1 94 94 SER H H 94 7.927 7.927 8.291 -0.364 25448 2016 1 4 . 1 1 95 95 SER N N 95 117.891 117.891 118.368 -0.477 25448 2017 1 4 . 1 1 95 95 SER HA H 95 4.209 4.209 4.281 -0.072 25448 2018 1 4 . 1 1 95 95 SER CA C 95 62.100 62.100 61.125 0.975 25448 2019 1 4 . 1 1 95 95 SER CB C 95 62.714 62.714 63.325 -0.611 25448 2020 1 4 . 1 1 95 95 SER H H 95 8.174 8.174 8.316 -0.142 25448 2021 1 4 . 1 1 96 96 ALA N N 96 123.830 123.830 125.398 -1.568 25448 2022 1 4 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.104 -0.213 25448 2023 1 4 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.230 0.046 25448 2024 1 4 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.254 1.694 25448 2025 1 4 . 1 1 96 96 ALA H H 96 8.110 8.110 7.935 0.175 25448 2026 1 4 . 1 1 97 97 LYS N N 97 115.893 115.893 117.685 -1.792 25448 2027 1 4 . 1 1 97 97 LYS HA H 97 3.808 3.808 4.010 -0.202 25448 2028 1 4 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.474 0.875 25448 2029 1 4 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.386 0.312 25448 2030 1 4 . 1 1 97 97 LYS H H 97 8.218 8.218 8.001 0.217 25448 2031 1 4 . 1 1 98 98 GLU N N 98 117.006 117.006 117.312 -0.306 25448 2032 1 4 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.164 -0.024 25448 2033 1 4 . 1 1 98 98 GLU CA C 98 58.222 58.222 57.962 0.260 25448 2034 1 4 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.868 -0.092 25448 2035 1 4 . 1 1 98 98 GLU H H 98 7.474 7.474 8.226 -0.752 25448 2036 1 4 . 1 1 99 99 MET N N 99 114.572 114.572 115.806 -1.234 25448 2037 1 4 . 1 1 99 99 MET HA H 99 4.533 4.533 4.414 0.119 25448 2038 1 4 . 1 1 99 99 MET CA C 99 55.292 55.292 55.313 -0.021 25448 2039 1 4 . 1 1 99 99 MET CB C 99 33.777 33.777 33.651 0.126 25448 2040 1 4 . 1 1 99 99 MET H H 99 7.378 7.378 8.053 -0.675 25448 2041 1 4 . 1 1 100 100 VAL N N 100 119.104 119.104 119.065 0.039 25448 2042 1 4 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.614 -0.348 25448 2043 1 4 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.094 0.953 25448 2044 1 4 . 1 1 100 100 VAL CB C 100 31.325 31.325 30.787 0.538 25448 2045 1 4 . 1 1 100 100 VAL H H 100 7.056 7.056 7.985 -0.929 25448 2046 1 4 . 1 1 101 101 GLY N N 101 116.779 116.779 115.229 1.550 25448 2047 1 4 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.641 0.010 25448 2048 1 4 . 1 1 101 101 GLY H H 101 8.979 8.979 8.716 0.263 25448 2049 1 4 . 1 1 102 102 GLN N N 102 119.990 119.990 121.032 -1.042 25448 2050 1 4 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.352 -0.155 25448 2051 1 4 . 1 1 102 102 GLN C C 102 174.994 174.994 175.182 -0.188 25448 2052 1 4 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.753 0.910 25448 2053 1 4 . 1 1 102 102 GLN CB C 102 28.936 28.936 29.852 -0.916 25448 2054 1 4 . 1 1 102 102 GLN H H 102 8.103 8.103 8.261 -0.158 25448 2055 1 4 . 1 1 103 103 LYS N N 103 120.261 120.261 121.782 -1.521 25448 2056 1 4 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.262 0.004 25448 2057 1 4 . 1 1 103 103 LYS CA C 103 54.642 54.642 54.905 -0.263 25448 2058 1 4 . 1 1 103 103 LYS CB C 103 34.196 34.196 35.798 -1.602 25448 2059 1 4 . 1 1 103 103 LYS H H 103 8.310 8.310 8.319 -0.009 25448 2060 1 4 . 1 1 104 104 MET N N 104 119.868 119.868 120.445 -0.577 25448 2061 1 4 . 1 1 104 104 MET HA H 104 4.692 4.692 4.929 -0.237 25448 2062 1 4 . 1 1 104 104 MET CA C 104 54.276 54.276 53.321 0.955 25448 2063 1 4 . 1 1 104 104 MET CB C 104 36.831 36.831 35.991 0.840 25448 2064 1 4 . 1 1 104 104 MET H H 104 8.556 8.556 8.996 -0.440 25448 2065 1 4 . 1 1 105 105 LYS N N 105 120.932 120.932 120.337 0.595 25448 2066 1 4 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.572 -0.206 25448 2067 1 4 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.827 0.273 25448 2068 1 4 . 1 1 105 105 LYS CB C 105 32.890 32.890 33.377 -0.487 25448 2069 1 4 . 1 1 105 105 LYS H H 105 8.257 8.257 8.393 -0.136 25448 2070 1 4 . 1 1 106 106 TYR N N 106 122.600 122.600 121.606 0.994 25448 2071 1 4 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.665 -0.247 25448 2072 1 4 . 1 1 106 106 TYR CA C 106 56.726 56.726 58.244 -1.518 25448 2073 1 4 . 1 1 106 106 TYR CB C 106 38.561 38.561 42.843 -4.282 25448 2074 1 4 . 1 1 106 106 TYR H H 106 8.378 8.378 8.482 -0.104 25448 2075 1 4 . 1 1 107 107 SER N N 107 116.904 116.904 119.978 -3.074 25448 2076 1 4 . 1 1 107 107 SER CA C 107 56.717 56.717 57.213 -0.496 25448 2077 1 4 . 1 1 107 107 SER CB C 107 63.983 63.983 65.361 -1.378 25448 2078 1 4 . 1 1 107 107 SER H H 107 8.044 8.044 8.504 -0.460 25448 2079 1 4 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.784 0.229 25448 2080 1 4 . 1 1 109 109 VAL CA C 109 64.307 64.307 64.469 -0.162 25448 2081 1 4 . 1 1 109 109 VAL CB C 109 32.000 32.000 32.112 -0.112 25448 2082 1 4 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.289 0.083 25448 2083 1 4 . 1 1 111 111 ARG CA C 111 57.100 57.100 56.320 0.780 25448 2084 1 4 . 1 1 111 111 ARG CB C 111 28.110 28.110 32.464 -4.354 25448 2085 1 4 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.087 0.401 25448 2086 1 4 . 1 1 113 113 CYS CA C 113 61.609 61.609 62.732 -1.123 25448 2087 1 4 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.165 -0.365 25448 2088 1 4 . 1 1 114 114 GLU N N 114 125.287 125.287 120.131 5.156 25448 2089 1 4 . 1 1 114 114 GLU HA H 114 3.439 3.439 4.009 -0.570 25448 2090 1 4 . 1 1 114 114 GLU CA C 114 58.669 58.669 58.826 -0.157 25448 2091 1 4 . 1 1 114 114 GLU CB C 114 30.058 30.058 27.271 2.787 25448 2092 1 4 . 1 1 114 114 GLU H H 114 7.720 7.720 8.259 -0.539 25448 2093 1 4 . 1 1 115 115 HIS N N 115 119.008 119.008 121.353 -2.345 25448 2094 1 4 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.373 0.024 25448 2095 1 4 . 1 1 115 115 HIS CA C 115 58.460 58.460 59.075 -0.615 25448 2096 1 4 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.689 0.372 25448 2097 1 4 . 1 1 115 115 HIS H H 115 8.051 8.051 8.123 -0.072 25448 2098 1 4 . 1 1 116 116 PHE N N 116 117.059 117.059 120.254 -3.195 25448 2099 1 4 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.079 0.269 25448 2100 1 4 . 1 1 116 116 PHE CA C 116 61.077 61.077 60.981 0.096 25448 2101 1 4 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.855 0.744 25448 2102 1 4 . 1 1 116 116 PHE H H 116 8.168 8.168 8.566 -0.398 25448 2103 1 4 . 1 1 117 117 VAL N N 117 107.857 107.857 114.256 -6.399 25448 2104 1 4 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.278 0.587 25448 2105 1 4 . 1 1 117 117 VAL CA C 117 64.591 64.591 64.712 -0.121 25448 2106 1 4 . 1 1 117 117 VAL CB C 117 30.573 30.573 30.943 -0.370 25448 2107 1 4 . 1 1 117 117 VAL H H 117 7.080 7.080 7.753 -0.673 25448 2108 1 4 . 1 1 118 118 THR N N 118 117.382 117.382 114.196 3.186 25448 2109 1 4 . 1 1 118 118 THR HA H 118 4.046 4.046 4.092 -0.046 25448 2110 1 4 . 1 1 118 118 THR CA C 118 66.745 66.745 66.012 0.733 25448 2111 1 4 . 1 1 118 118 THR CB C 118 68.185 68.185 68.710 -0.525 25448 2112 1 4 . 1 1 118 118 THR H H 118 8.465 8.465 7.635 0.830 25448 2113 1 4 . 1 1 119 119 GLN N N 119 121.900 121.900 121.029 0.871 25448 2114 1 4 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.170 -0.285 25448 2115 1 4 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.123 0.879 25448 2116 1 4 . 1 1 119 119 GLN CB C 119 27.611 27.611 27.641 -0.030 25448 2117 1 4 . 1 1 119 119 GLN H H 119 8.074 8.074 8.078 -0.004 25448 2118 1 4 . 1 1 120 120 LEU N N 120 117.899 117.899 119.002 -1.103 25448 2119 1 4 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.957 -0.122 25448 2120 1 4 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.942 -0.515 25448 2121 1 4 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.159 1.075 25448 2122 1 4 . 1 1 120 120 LEU H H 120 6.829 6.829 7.602 -0.773 25448 2123 1 4 . 1 1 121 121 ARG N N 121 117.250 117.250 118.970 -1.720 25448 2124 1 4 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.146 -0.226 25448 2125 1 4 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.987 0.056 25448 2126 1 4 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.590 -0.334 25448 2127 1 4 . 1 1 121 121 ARG H H 121 7.677 7.677 7.637 0.040 25448 2128 1 4 . 1 1 122 122 TYR N N 122 111.508 111.508 120.444 -8.936 25448 2129 1 4 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.355 0.285 25448 2130 1 4 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.106 -1.584 25448 2131 1 4 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.945 0.729 25448 2132 1 4 . 1 1 122 122 TYR H H 122 8.114 8.114 8.683 -0.569 25448 2133 1 4 . 1 1 123 123 GLY N N 123 109.399 109.399 106.735 2.664 25448 2134 1 4 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.498 0.843 25448 2135 1 4 . 1 1 123 123 GLY H H 123 8.032 8.032 7.809 0.223 25448 2136 1 4 . 1 1 124 124 LYS N N 124 117.936 117.936 119.683 -1.747 25448 2137 1 4 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.165 0.187 25448 2138 1 4 . 1 1 124 124 LYS CA C 124 55.200 55.200 56.037 -0.837 25448 2139 1 4 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.447 1.551 25448 2140 1 4 . 1 1 124 124 LYS H H 124 7.402 7.402 7.181 0.221 25448 2141 1 5 . 1 1 3 3 SER N N 3 113.812 113.812 117.681 -3.869 25448 2142 1 5 . 1 1 3 3 SER HA H 3 4.697 4.697 4.495 0.202 25448 2143 1 5 . 1 1 3 3 SER CA C 3 58.996 58.996 57.165 1.831 25448 2144 1 5 . 1 1 3 3 SER CB C 3 63.800 63.800 63.435 0.365 25448 2145 1 5 . 1 1 3 3 SER H H 3 7.587 7.587 8.307 -0.720 25448 2146 1 5 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.418 -0.005 25448 2147 1 5 . 1 1 4 4 PRO CA C 4 63.354 63.354 62.678 0.676 25448 2148 1 5 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.216 -0.316 25448 2149 1 5 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.499 0.058 25448 2150 1 5 . 1 1 5 5 HIS CA C 5 56.230 56.230 57.087 -0.857 25448 2151 1 5 . 1 1 5 5 HIS CB C 5 30.500 30.500 30.143 0.357 25448 2152 1 5 . 1 1 5 5 HIS H H 5 6.984 6.984 8.062 -1.078 25448 2153 1 5 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.503 -0.215 25448 2154 1 5 . 1 1 6 6 GLN CA C 6 55.174 55.174 55.133 0.041 25448 2155 1 5 . 1 1 6 6 GLN CB C 6 30.042 30.042 31.872 -1.830 25448 2156 1 5 . 1 1 7 7 GLU N N 7 124.477 124.477 123.495 0.982 25448 2157 1 5 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.751 -0.262 25448 2158 1 5 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.438 0.673 25448 2159 1 5 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.567 -1.655 25448 2160 1 5 . 1 1 7 7 GLU H H 7 8.353 8.353 8.604 -0.251 25448 2161 1 5 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.685 -0.341 25448 2162 1 5 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.631 -0.233 25448 2163 1 5 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.685 -1.285 25448 2164 1 5 . 1 1 9 9 LYS N N 9 122.328 122.328 120.491 1.837 25448 2165 1 5 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.993 -0.120 25448 2166 1 5 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.275 0.876 25448 2167 1 5 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.388 -1.249 25448 2168 1 5 . 1 1 9 9 LYS H H 9 9.336 9.336 9.107 0.229 25448 2169 1 5 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.358 -0.435 25448 2170 1 5 . 1 1 10 10 PRO CA C 10 64.534 64.534 63.630 0.904 25448 2171 1 5 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.656 -0.027 25448 2172 1 5 . 1 1 11 11 GLY N N 11 112.758 112.758 114.356 -1.598 25448 2173 1 5 . 1 1 11 11 GLY CA C 11 45.182 45.182 45.186 -0.004 25448 2174 1 5 . 1 1 11 11 GLY H H 11 9.359 9.359 9.114 0.245 25448 2175 1 5 . 1 1 12 12 ASP N N 12 120.500 120.500 122.987 -2.487 25448 2176 1 5 . 1 1 12 12 ASP HA H 12 4.870 4.870 5.062 -0.192 25448 2177 1 5 . 1 1 12 12 ASP CA C 12 55.211 55.211 54.974 0.237 25448 2178 1 5 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.653 1.294 25448 2179 1 5 . 1 1 12 12 ASP H H 12 8.277 8.277 8.064 0.213 25448 2180 1 5 . 1 1 13 13 LEU N N 13 119.594 119.594 121.956 -2.362 25448 2181 1 5 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.970 0.007 25448 2182 1 5 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.515 -0.526 25448 2183 1 5 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.530 -1.332 25448 2184 1 5 . 1 1 13 13 LEU H H 13 9.103 9.103 9.191 -0.088 25448 2185 1 5 . 1 1 14 14 ILE N N 14 121.352 121.352 124.684 -3.332 25448 2186 1 5 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.846 -0.236 25448 2187 1 5 . 1 1 14 14 ILE CA C 14 58.178 58.178 60.404 -2.226 25448 2188 1 5 . 1 1 14 14 ILE CB C 14 39.213 39.213 39.937 -0.724 25448 2189 1 5 . 1 1 14 14 ILE H H 14 9.221 9.221 9.365 -0.144 25448 2190 1 5 . 1 1 15 15 GLU N N 15 129.555 129.555 128.161 1.394 25448 2191 1 5 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.720 -1.502 25448 2192 1 5 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.449 -0.001 25448 2193 1 5 . 1 1 15 15 GLU CB C 15 31.783 31.783 32.929 -1.146 25448 2194 1 5 . 1 1 15 15 GLU H H 15 8.625 8.625 9.365 -0.740 25448 2195 1 5 . 1 1 16 16 ILE N N 16 125.258 125.258 125.236 0.022 25448 2196 1 5 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.717 -0.608 25448 2197 1 5 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.822 0.679 25448 2198 1 5 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.568 -0.167 25448 2199 1 5 . 1 1 16 16 ILE H H 16 8.557 8.557 8.693 -0.136 25448 2200 1 5 . 1 1 17 17 PHE N N 17 127.058 127.058 128.208 -1.150 25448 2201 1 5 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.633 -0.131 25448 2202 1 5 . 1 1 17 17 PHE CA C 17 58.939 58.939 57.478 1.461 25448 2203 1 5 . 1 1 17 17 PHE CB C 17 37.496 37.496 37.131 0.365 25448 2204 1 5 . 1 1 17 17 PHE H H 17 8.500 8.500 9.070 -0.570 25448 2205 1 5 . 1 1 18 18 ARG N N 18 124.569 124.569 120.653 3.916 25448 2206 1 5 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.252 0.398 25448 2207 1 5 . 1 1 18 18 ARG CA C 18 54.596 54.596 55.208 -0.612 25448 2208 1 5 . 1 1 18 18 ARG CB C 18 30.206 30.206 31.049 -0.843 25448 2209 1 5 . 1 1 18 18 ARG H H 18 7.686 7.686 7.540 0.146 25448 2210 1 5 . 1 1 19 19 LEU N N 19 121.049 121.049 122.399 -1.350 25448 2211 1 5 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.218 0.206 25448 2212 1 5 . 1 1 19 19 LEU CA C 19 56.123 56.123 55.775 0.348 25448 2213 1 5 . 1 1 19 19 LEU CB C 19 40.296 40.296 42.086 -1.790 25448 2214 1 5 . 1 1 19 19 LEU H H 19 8.103 8.103 8.505 -0.402 25448 2215 1 5 . 1 1 20 20 GLY N N 20 115.623 115.623 112.479 3.144 25448 2216 1 5 . 1 1 20 20 GLY CA C 20 45.736 45.736 44.685 1.051 25448 2217 1 5 . 1 1 20 20 GLY H H 20 8.686 8.686 8.373 0.313 25448 2218 1 5 . 1 1 21 21 TYR N N 21 115.905 115.905 124.264 -8.359 25448 2219 1 5 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.480 0.280 25448 2220 1 5 . 1 1 21 21 TYR CA C 21 56.507 56.507 57.740 -1.233 25448 2221 1 5 . 1 1 21 21 TYR CB C 21 38.631 38.631 38.909 -0.278 25448 2222 1 5 . 1 1 21 21 TYR H H 21 7.433 7.433 8.328 -0.895 25448 2223 1 5 . 1 1 22 22 GLU N N 22 116.649 116.649 120.481 -3.832 25448 2224 1 5 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.243 0.917 25448 2225 1 5 . 1 1 22 22 GLU CA C 22 56.255 56.255 56.446 -0.191 25448 2226 1 5 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.233 1.934 25448 2227 1 5 . 1 1 22 22 GLU H H 22 8.139 8.139 8.485 -0.346 25448 2228 1 5 . 1 1 23 23 HIS N N 23 122.171 122.171 117.253 4.918 25448 2229 1 5 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.813 0.775 25448 2230 1 5 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.458 -0.297 25448 2231 1 5 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.270 1.100 25448 2232 1 5 . 1 1 23 23 HIS H H 23 8.943 8.943 8.280 0.663 25448 2233 1 5 . 1 1 24 24 TRP N N 24 124.412 124.412 118.931 5.481 25448 2234 1 5 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.612 0.085 25448 2235 1 5 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.300 -0.394 25448 2236 1 5 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.857 -1.701 25448 2237 1 5 . 1 1 24 24 TRP H H 24 6.764 6.764 7.960 -1.196 25448 2238 1 5 . 1 1 25 25 ALA N N 25 121.149 121.149 120.950 0.199 25448 2239 1 5 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.084 -0.223 25448 2240 1 5 . 1 1 25 25 ALA CA C 25 50.352 50.352 51.061 -0.709 25448 2241 1 5 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.311 -0.358 25448 2242 1 5 . 1 1 25 25 ALA H H 25 9.336 9.336 9.183 0.153 25448 2243 1 5 . 1 1 26 26 LEU N N 26 122.472 122.472 122.717 -0.245 25448 2244 1 5 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.343 -0.083 25448 2245 1 5 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.933 0.708 25448 2246 1 5 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.915 1.506 25448 2247 1 5 . 1 1 26 26 LEU H H 26 8.835 8.835 8.993 -0.158 25448 2248 1 5 . 1 1 27 27 TYR N N 27 128.215 128.215 129.089 -0.874 25448 2249 1 5 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.640 0.112 25448 2250 1 5 . 1 1 27 27 TYR CA C 27 59.802 59.802 57.703 2.099 25448 2251 1 5 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.694 -1.024 25448 2252 1 5 . 1 1 27 27 TYR H H 27 9.750 9.750 9.075 0.675 25448 2253 1 5 . 1 1 28 28 ILE N N 28 119.796 119.796 122.280 -2.484 25448 2254 1 5 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.285 0.288 25448 2255 1 5 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.113 0.705 25448 2256 1 5 . 1 1 28 28 ILE CB C 28 38.900 38.900 38.519 0.381 25448 2257 1 5 . 1 1 28 28 ILE H H 28 8.196 8.196 7.935 0.261 25448 2258 1 5 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.392 -1.392 25448 2259 1 5 . 1 1 29 29 GLY H H 29 6.584 6.584 6.939 -0.355 25448 2260 1 5 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.648 -0.226 25448 2261 1 5 . 1 1 30 30 ASP CA C 30 55.640 55.640 53.603 2.037 25448 2262 1 5 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.160 0.093 25448 2263 1 5 . 1 1 30 30 ASP H H 30 6.837 6.837 7.903 -1.066 25448 2264 1 5 . 1 1 31 31 GLY N N 31 124.953 124.953 106.632 18.321 25448 2265 1 5 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.555 -0.017 25448 2266 1 5 . 1 1 31 31 GLY H H 31 8.120 8.120 7.718 0.402 25448 2267 1 5 . 1 1 32 32 TYR N N 32 120.196 120.196 120.569 -0.373 25448 2268 1 5 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.097 -0.167 25448 2269 1 5 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.099 0.689 25448 2270 1 5 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.814 1.181 25448 2271 1 5 . 1 1 32 32 TYR H H 32 7.843 7.843 7.703 0.140 25448 2272 1 5 . 1 1 33 33 VAL N N 33 109.892 109.892 113.719 -3.827 25448 2273 1 5 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.282 0.184 25448 2274 1 5 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.530 -2.070 25448 2275 1 5 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.677 -0.520 25448 2276 1 5 . 1 1 33 33 VAL H H 33 9.242 9.242 9.402 -0.160 25448 2277 1 5 . 1 1 34 34 ILE N N 34 119.424 119.424 121.770 -2.346 25448 2278 1 5 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.317 0.238 25448 2279 1 5 . 1 1 34 34 ILE CA C 34 60.331 60.331 60.035 0.296 25448 2280 1 5 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.273 0.659 25448 2281 1 5 . 1 1 34 34 ILE H H 34 9.084 9.084 9.017 0.067 25448 2282 1 5 . 1 1 35 35 HIS N N 35 123.118 123.118 120.648 2.470 25448 2283 1 5 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.346 -0.188 25448 2284 1 5 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.844 -0.626 25448 2285 1 5 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.125 2.875 25448 2286 1 5 . 1 1 35 35 HIS H H 35 9.110 9.110 9.122 -0.012 25448 2287 1 5 . 1 1 36 36 LEU N N 36 123.704 123.704 120.277 3.427 25448 2288 1 5 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.774 -0.690 25448 2289 1 5 . 1 1 36 36 LEU CA C 36 53.682 53.682 53.759 -0.077 25448 2290 1 5 . 1 1 36 36 LEU CB C 36 41.631 41.631 44.718 -3.087 25448 2291 1 5 . 1 1 36 36 LEU H H 36 8.991 8.991 8.956 0.035 25448 2292 1 5 . 1 1 37 37 ALA N N 37 129.765 129.765 125.073 4.692 25448 2293 1 5 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.926 -0.599 25448 2294 1 5 . 1 1 37 37 ALA CA C 37 49.698 49.698 49.083 0.615 25448 2295 1 5 . 1 1 37 37 ALA CB C 37 19.428 19.428 18.945 0.483 25448 2296 1 5 . 1 1 37 37 ALA H H 37 8.050 8.050 8.738 -0.688 25448 2297 1 5 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.568 -0.564 25448 2298 1 5 . 1 1 38 38 PRO CA C 38 60.800 60.800 62.115 -1.315 25448 2299 1 5 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.503 -0.975 25448 2300 1 5 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.510 -0.136 25448 2301 1 5 . 1 1 39 39 PRO CA C 39 62.900 62.900 62.198 0.702 25448 2302 1 5 . 1 1 39 39 PRO CB C 39 32.000 32.000 33.772 -1.772 25448 2303 1 5 . 1 1 40 40 SER N N 40 114.906 114.906 114.381 0.525 25448 2304 1 5 . 1 1 40 40 SER HA H 40 4.326 4.326 4.721 -0.395 25448 2305 1 5 . 1 1 40 40 SER CA C 40 58.700 58.700 56.841 1.859 25448 2306 1 5 . 1 1 40 40 SER CB C 40 64.004 64.004 65.430 -1.426 25448 2307 1 5 . 1 1 40 40 SER H H 40 8.184 8.184 8.761 -0.577 25448 2308 1 5 . 1 1 41 41 GLU N N 41 121.221 121.221 123.616 -2.395 25448 2309 1 5 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.243 0.018 25448 2310 1 5 . 1 1 41 41 GLU CA C 41 56.424 56.424 56.895 -0.471 25448 2311 1 5 . 1 1 41 41 GLU CB C 41 30.514 30.514 30.194 0.320 25448 2312 1 5 . 1 1 41 41 GLU H H 41 8.401 8.401 8.504 -0.103 25448 2313 1 5 . 1 1 42 42 TYR N N 42 121.900 121.900 124.706 -2.806 25448 2314 1 5 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.653 0.127 25448 2315 1 5 . 1 1 42 42 TYR CA C 42 55.700 55.700 54.704 0.996 25448 2316 1 5 . 1 1 42 42 TYR CB C 42 38.400 38.400 37.215 1.185 25448 2317 1 5 . 1 1 42 42 TYR H H 42 8.117 8.117 8.094 0.023 25448 2318 1 5 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.279 0.124 25448 2319 1 5 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.614 0.866 25448 2320 1 5 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.894 -1.093 25448 2321 1 5 . 1 1 44 44 GLY N N 44 109.030 109.030 108.152 0.878 25448 2322 1 5 . 1 1 44 44 GLY CA C 44 45.244 45.244 45.256 -0.012 25448 2323 1 5 . 1 1 44 44 GLY H H 44 8.001 8.001 8.730 -0.729 25448 2324 1 5 . 1 1 45 45 ALA N N 45 123.500 123.500 123.772 -0.272 25448 2325 1 5 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.352 -0.040 25448 2326 1 5 . 1 1 45 45 ALA CA C 45 52.853 52.853 52.902 -0.049 25448 2327 1 5 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.319 0.003 25448 2328 1 5 . 1 1 45 45 ALA H H 45 8.082 8.082 8.384 -0.302 25448 2329 1 5 . 1 1 46 46 GLY N N 46 108.151 108.151 107.167 0.984 25448 2330 1 5 . 1 1 46 46 GLY CA C 46 45.460 45.460 44.408 1.052 25448 2331 1 5 . 1 1 46 46 GLY H H 46 8.408 8.408 7.987 0.421 25448 2332 1 5 . 1 1 48 48 SER N N 48 116.904 116.904 117.522 -0.618 25448 2333 1 5 . 1 1 48 48 SER HA H 48 4.700 4.700 4.466 0.234 25448 2334 1 5 . 1 1 48 48 SER H H 48 8.044 8.044 7.801 0.243 25448 2335 1 5 . 1 1 49 49 SER HA H 49 4.456 4.456 4.932 -0.476 25448 2336 1 5 . 1 1 49 49 SER CA C 49 58.713 58.713 55.540 3.173 25448 2337 1 5 . 1 1 49 49 SER CB C 49 64.000 64.000 64.412 -0.412 25448 2338 1 5 . 1 1 50 50 VAL N N 50 120.352 120.352 120.323 0.029 25448 2339 1 5 . 1 1 50 50 VAL HA H 50 4.033 4.033 4.125 -0.092 25448 2340 1 5 . 1 1 50 50 VAL CA C 50 62.816 62.816 64.561 -1.746 25448 2341 1 5 . 1 1 50 50 VAL CB C 50 32.416 32.416 31.299 1.117 25448 2342 1 5 . 1 1 50 50 VAL H H 50 7.890 7.890 8.540 -0.650 25448 2343 1 5 . 1 1 51 51 PHE N N 51 121.600 121.600 117.130 4.470 25448 2344 1 5 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.591 -0.015 25448 2345 1 5 . 1 1 51 51 PHE CA C 51 58.198 58.198 59.774 -1.576 25448 2346 1 5 . 1 1 51 51 PHE CB C 51 39.470 39.470 38.535 0.935 25448 2347 1 5 . 1 1 51 51 PHE H H 51 7.989 7.989 7.885 0.104 25448 2348 1 5 . 1 1 52 52 SER N N 52 116.521 116.521 114.007 2.514 25448 2349 1 5 . 1 1 52 52 SER HA H 52 4.429 4.429 4.458 -0.029 25448 2350 1 5 . 1 1 52 52 SER C C 52 174.445 174.445 174.796 -0.351 25448 2351 1 5 . 1 1 52 52 SER CA C 52 58.365 58.365 60.127 -1.762 25448 2352 1 5 . 1 1 52 52 SER CB C 52 64.018 64.018 64.493 -0.475 25448 2353 1 5 . 1 1 52 52 SER H H 52 8.018 8.018 7.989 0.029 25448 2354 1 5 . 1 1 53 53 VAL N N 53 120.571 120.571 121.478 -0.907 25448 2355 1 5 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.266 -0.163 25448 2356 1 5 . 1 1 53 53 VAL CA C 53 62.979 62.979 61.602 1.377 25448 2357 1 5 . 1 1 53 53 VAL CB C 53 32.416 32.416 33.317 -0.901 25448 2358 1 5 . 1 1 53 53 VAL H H 53 7.959 7.959 7.864 0.095 25448 2359 1 5 . 1 1 54 54 LEU N N 54 123.703 123.703 129.202 -5.499 25448 2360 1 5 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.594 -0.228 25448 2361 1 5 . 1 1 54 54 LEU CA C 54 55.500 55.500 55.966 -0.466 25448 2362 1 5 . 1 1 54 54 LEU CB C 54 42.293 42.293 42.343 -0.050 25448 2363 1 5 . 1 1 54 54 LEU H H 54 8.095 8.095 8.409 -0.314 25448 2364 1 5 . 1 1 55 55 SER N N 55 115.309 115.309 114.503 0.806 25448 2365 1 5 . 1 1 55 55 SER HA H 55 4.399 4.399 4.371 0.028 25448 2366 1 5 . 1 1 55 55 SER CA C 55 58.365 58.365 58.875 -0.510 25448 2367 1 5 . 1 1 55 55 SER CB C 55 64.110 64.110 62.857 1.253 25448 2368 1 5 . 1 1 55 55 SER H H 55 8.063 8.063 8.074 -0.011 25448 2369 1 5 . 1 1 56 56 ASN HA H 56 4.918 4.918 5.110 -0.192 25448 2370 1 5 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.134 0.017 25448 2371 1 5 . 1 1 56 56 ASN CB C 56 39.339 39.339 40.434 -1.095 25448 2372 1 5 . 1 1 57 57 SER N N 57 115.102 115.102 117.473 -2.371 25448 2373 1 5 . 1 1 57 57 SER HA H 57 4.694 4.694 3.629 1.065 25448 2374 1 5 . 1 1 57 57 SER CA C 57 58.307 58.307 57.798 0.509 25448 2375 1 5 . 1 1 57 57 SER CB C 57 64.838 64.838 63.376 1.462 25448 2376 1 5 . 1 1 57 57 SER H H 57 8.065 8.065 8.172 -0.107 25448 2377 1 5 . 1 1 58 58 ALA N N 58 125.610 125.610 121.723 3.887 25448 2378 1 5 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.679 -0.185 25448 2379 1 5 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.940 0.341 25448 2380 1 5 . 1 1 58 58 ALA CB C 58 22.479 22.479 20.849 1.630 25448 2381 1 5 . 1 1 58 58 ALA H H 58 8.548 8.548 7.900 0.648 25448 2382 1 5 . 1 1 59 59 GLU N N 59 120.190 120.190 120.132 0.058 25448 2383 1 5 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.009 0.024 25448 2384 1 5 . 1 1 59 59 GLU CA C 59 54.004 54.004 54.724 -0.720 25448 2385 1 5 . 1 1 59 59 GLU CB C 59 34.292 34.292 34.563 -0.271 25448 2386 1 5 . 1 1 59 59 GLU H H 59 8.116 8.116 8.010 0.106 25448 2387 1 5 . 1 1 60 60 VAL N N 60 125.380 125.380 125.467 -0.087 25448 2388 1 5 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.136 0.202 25448 2389 1 5 . 1 1 60 60 VAL CA C 60 62.784 62.784 63.317 -0.533 25448 2390 1 5 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.474 -0.718 25448 2391 1 5 . 1 1 60 60 VAL H H 60 8.531 8.531 8.941 -0.410 25448 2392 1 5 . 1 1 61 61 LYS N N 61 129.548 129.548 125.851 3.697 25448 2393 1 5 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.704 0.196 25448 2394 1 5 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.234 1.350 25448 2395 1 5 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.418 0.616 25448 2396 1 5 . 1 1 61 61 LYS H H 61 9.068 9.068 8.823 0.245 25448 2397 1 5 . 1 1 62 62 ARG N N 62 123.653 123.653 122.625 1.028 25448 2398 1 5 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.378 0.324 25448 2399 1 5 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.018 -0.632 25448 2400 1 5 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.196 -0.237 25448 2401 1 5 . 1 1 62 62 ARG H H 62 8.749 8.749 8.587 0.162 25448 2402 1 5 . 1 1 63 63 GLU N N 63 125.033 125.033 124.239 0.794 25448 2403 1 5 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.880 0.118 25448 2404 1 5 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.874 0.004 25448 2405 1 5 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.240 2.743 25448 2406 1 5 . 1 1 63 63 GLU H H 63 8.973 8.973 9.187 -0.214 25448 2407 1 5 . 1 1 64 64 ARG N N 64 121.855 121.855 120.083 1.772 25448 2408 1 5 . 1 1 64 64 ARG HA H 64 3.900 3.900 3.888 0.012 25448 2409 1 5 . 1 1 64 64 ARG CA C 64 56.900 56.900 57.289 -0.389 25448 2410 1 5 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.272 -0.726 25448 2411 1 5 . 1 1 64 64 ARG H H 64 9.273 9.273 8.712 0.561 25448 2412 1 5 . 1 1 65 65 LEU N N 65 124.611 124.611 126.183 -1.572 25448 2413 1 5 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.828 -0.258 25448 2414 1 5 . 1 1 65 65 LEU CA C 65 59.010 59.010 59.265 -0.255 25448 2415 1 5 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.990 -0.267 25448 2416 1 5 . 1 1 65 65 LEU H H 65 8.823 8.823 8.596 0.227 25448 2417 1 5 . 1 1 66 66 GLU N N 66 115.188 115.188 117.844 -2.656 25448 2418 1 5 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.708 0.127 25448 2419 1 5 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.806 -0.152 25448 2420 1 5 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.665 0.496 25448 2421 1 5 . 1 1 66 66 GLU H H 66 9.360 9.360 8.776 0.584 25448 2422 1 5 . 1 1 67 67 ASP N N 67 118.590 118.590 118.793 -0.203 25448 2423 1 5 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.375 0.085 25448 2424 1 5 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.458 0.109 25448 2425 1 5 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.690 -0.020 25448 2426 1 5 . 1 1 67 67 ASP H H 67 6.806 6.806 8.175 -1.369 25448 2427 1 5 . 1 1 68 68 VAL N N 68 119.985 119.985 118.465 1.520 25448 2428 1 5 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.689 -0.073 25448 2429 1 5 . 1 1 68 68 VAL CA C 68 65.070 65.070 64.962 0.108 25448 2430 1 5 . 1 1 68 68 VAL CB C 68 32.167 32.167 32.249 -0.082 25448 2431 1 5 . 1 1 68 68 VAL H H 68 7.414 7.414 7.914 -0.500 25448 2432 1 5 . 1 1 69 69 VAL N N 69 116.972 116.972 113.148 3.824 25448 2433 1 5 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.747 -0.245 25448 2434 1 5 . 1 1 69 69 VAL CA C 69 65.337 65.337 62.999 2.338 25448 2435 1 5 . 1 1 69 69 VAL CB C 69 32.036 32.036 31.168 0.868 25448 2436 1 5 . 1 1 69 69 VAL H H 69 8.261 8.261 8.029 0.232 25448 2437 1 5 . 1 1 70 70 GLY N N 70 107.311 107.311 111.082 -3.771 25448 2438 1 5 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.455 1.155 25448 2439 1 5 . 1 1 70 70 GLY H H 70 7.395 7.395 8.114 -0.719 25448 2440 1 5 . 1 1 71 71 GLY N N 71 110.582 110.582 109.660 0.922 25448 2441 1 5 . 1 1 71 71 GLY CA C 71 45.176 45.176 44.594 0.582 25448 2442 1 5 . 1 1 71 71 GLY H H 71 8.831 8.831 8.450 0.381 25448 2443 1 5 . 1 1 72 72 CYS N N 72 118.742 118.742 118.839 -0.097 25448 2444 1 5 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.461 0.037 25448 2445 1 5 . 1 1 72 72 CYS CA C 72 60.154 60.154 59.704 0.450 25448 2446 1 5 . 1 1 72 72 CYS CB C 72 29.295 29.295 28.651 0.644 25448 2447 1 5 . 1 1 72 72 CYS H H 72 7.613 7.613 7.510 0.103 25448 2448 1 5 . 1 1 73 73 CYS N N 73 120.205 120.205 122.821 -2.616 25448 2449 1 5 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.519 0.012 25448 2450 1 5 . 1 1 73 73 CYS CA C 73 59.792 59.792 60.060 -0.268 25448 2451 1 5 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.520 -0.474 25448 2452 1 5 . 1 1 73 73 CYS H H 73 9.007 9.007 8.798 0.209 25448 2453 1 5 . 1 1 74 74 TYR N N 74 119.008 119.008 118.374 0.634 25448 2454 1 5 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.816 -0.219 25448 2455 1 5 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.526 -0.936 25448 2456 1 5 . 1 1 74 74 TYR CB C 74 41.876 41.876 41.137 0.739 25448 2457 1 5 . 1 1 74 74 TYR H H 74 8.141 8.141 8.321 -0.180 25448 2458 1 5 . 1 1 75 75 ARG N N 75 115.457 115.457 117.853 -2.396 25448 2459 1 5 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.683 -0.044 25448 2460 1 5 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.885 -0.890 25448 2461 1 5 . 1 1 75 75 ARG CB C 75 33.235 33.235 33.630 -0.395 25448 2462 1 5 . 1 1 75 75 ARG H H 75 9.008 9.008 9.367 -0.359 25448 2463 1 5 . 1 1 76 76 VAL N N 76 123.071 123.071 121.496 1.575 25448 2464 1 5 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.657 -0.094 25448 2465 1 5 . 1 1 76 76 VAL CA C 76 62.968 62.968 61.648 1.320 25448 2466 1 5 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.307 -0.342 25448 2467 1 5 . 1 1 76 76 VAL H H 76 8.511 8.511 9.296 -0.785 25448 2468 1 5 . 1 1 77 77 ASN N N 77 126.125 126.125 125.958 0.167 25448 2469 1 5 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.904 -0.049 25448 2470 1 5 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.899 -0.827 25448 2471 1 5 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.292 -0.652 25448 2472 1 5 . 1 1 77 77 ASN H H 77 8.824 8.824 9.012 -0.188 25448 2473 1 5 . 1 1 78 78 ASN N N 78 124.269 124.269 122.981 1.288 25448 2474 1 5 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.843 0.503 25448 2475 1 5 . 1 1 78 78 ASN CA C 78 52.124 52.124 52.980 -0.856 25448 2476 1 5 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.810 0.138 25448 2477 1 5 . 1 1 78 78 ASN H H 78 8.685 8.685 8.868 -0.183 25448 2478 1 5 . 1 1 79 79 SER N N 79 117.959 117.959 117.336 0.623 25448 2479 1 5 . 1 1 79 79 SER HA H 79 4.112 4.112 4.213 -0.101 25448 2480 1 5 . 1 1 79 79 SER CA C 79 62.669 62.669 61.087 1.582 25448 2481 1 5 . 1 1 79 79 SER CB C 79 63.727 63.727 63.417 0.310 25448 2482 1 5 . 1 1 79 79 SER H H 79 8.109 8.109 8.167 -0.058 25448 2483 1 5 . 1 1 80 80 LEU N N 80 121.272 121.272 121.111 0.161 25448 2484 1 5 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.141 0.329 25448 2485 1 5 . 1 1 80 80 LEU CA C 80 55.542 55.542 55.401 0.140 25448 2486 1 5 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.194 0.306 25448 2487 1 5 . 1 1 80 80 LEU H H 80 7.947 7.947 7.906 0.041 25448 2488 1 5 . 1 1 81 81 ASP N N 81 121.692 121.692 120.616 1.076 25448 2489 1 5 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.304 0.786 25448 2490 1 5 . 1 1 81 81 ASP CA C 81 56.604 56.604 57.160 -0.556 25448 2491 1 5 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.029 -0.729 25448 2492 1 5 . 1 1 81 81 ASP H H 81 8.294 8.294 7.770 0.524 25448 2493 1 5 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.431 0.024 25448 2494 1 5 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.961 -0.061 25448 2495 1 5 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.425 -0.659 25448 2496 1 5 . 1 1 83 83 GLU N N 83 118.940 118.940 117.684 1.256 25448 2497 1 5 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.022 0.131 25448 2498 1 5 . 1 1 83 83 GLU CA C 83 56.870 56.870 56.905 -0.035 25448 2499 1 5 . 1 1 83 83 GLU CB C 83 32.422 32.422 31.112 1.310 25448 2500 1 5 . 1 1 83 83 GLU H H 83 7.476 7.476 7.711 -0.235 25448 2501 1 5 . 1 1 84 84 TYR N N 84 119.225 119.225 118.301 0.924 25448 2502 1 5 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.704 0.062 25448 2503 1 5 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.696 -1.773 25448 2504 1 5 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.890 1.334 25448 2505 1 5 . 1 1 84 84 TYR H H 84 8.207 8.207 7.943 0.264 25448 2506 1 5 . 1 1 85 85 GLN N N 85 119.667 119.667 121.034 -1.367 25448 2507 1 5 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.558 0.240 25448 2508 1 5 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.258 -1.055 25448 2509 1 5 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.462 0.904 25448 2510 1 5 . 1 1 85 85 GLN H H 85 8.264 8.264 8.734 -0.470 25448 2511 1 5 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.406 0.016 25448 2512 1 5 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.901 -1.290 25448 2513 1 5 . 1 1 86 86 PRO CB C 86 31.850 31.850 31.875 -0.025 25448 2514 1 5 . 1 1 87 87 ARG N N 87 121.150 121.150 125.138 -3.988 25448 2515 1 5 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.503 -0.098 25448 2516 1 5 . 1 1 87 87 ARG CA C 87 55.600 55.600 54.418 1.182 25448 2517 1 5 . 1 1 87 87 ARG CB C 87 29.301 29.301 29.780 -0.479 25448 2518 1 5 . 1 1 87 87 ARG H H 87 8.254 8.254 8.245 0.009 25448 2519 1 5 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.570 -0.123 25448 2520 1 5 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.666 0.313 25448 2521 1 5 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.139 0.131 25448 2522 1 5 . 1 1 89 89 VAL N N 89 125.682 125.682 126.353 -0.671 25448 2523 1 5 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.573 -0.072 25448 2524 1 5 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.972 1.439 25448 2525 1 5 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.084 -0.449 25448 2526 1 5 . 1 1 89 89 VAL H H 89 8.678 8.678 8.438 0.240 25448 2527 1 5 . 1 1 90 90 GLU N N 90 117.092 117.092 118.413 -1.321 25448 2528 1 5 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.074 -0.047 25448 2529 1 5 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.310 0.705 25448 2530 1 5 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.824 -0.191 25448 2531 1 5 . 1 1 90 90 GLU H H 90 9.318 9.318 8.880 0.438 25448 2532 1 5 . 1 1 91 91 VAL N N 91 119.967 119.967 120.302 -0.335 25448 2533 1 5 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.793 0.071 25448 2534 1 5 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.751 -0.751 25448 2535 1 5 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.374 0.527 25448 2536 1 5 . 1 1 91 91 VAL H H 91 7.153 7.153 7.779 -0.626 25448 2537 1 5 . 1 1 92 92 ILE N N 92 122.669 122.669 121.919 0.750 25448 2538 1 5 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.728 -0.418 25448 2539 1 5 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.238 1.473 25448 2540 1 5 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.738 0.825 25448 2541 1 5 . 1 1 92 92 ILE H H 92 8.004 8.004 7.337 0.667 25448 2542 1 5 . 1 1 93 93 ILE N N 93 115.049 115.049 120.125 -5.076 25448 2543 1 5 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.659 -0.127 25448 2544 1 5 . 1 1 93 93 ILE CA C 93 65.085 65.085 62.842 2.243 25448 2545 1 5 . 1 1 93 93 ILE CB C 93 37.163 37.163 36.250 0.913 25448 2546 1 5 . 1 1 93 93 ILE H H 93 8.305 8.305 8.138 0.167 25448 2547 1 5 . 1 1 94 94 SER N N 94 115.196 115.196 116.721 -1.525 25448 2548 1 5 . 1 1 94 94 SER HA H 94 4.101 4.101 4.132 -0.031 25448 2549 1 5 . 1 1 94 94 SER CA C 94 62.300 62.300 62.393 -0.093 25448 2550 1 5 . 1 1 94 94 SER H H 94 7.927 7.927 8.307 -0.380 25448 2551 1 5 . 1 1 95 95 SER N N 95 117.891 117.891 119.471 -1.580 25448 2552 1 5 . 1 1 95 95 SER HA H 95 4.209 4.209 4.174 0.035 25448 2553 1 5 . 1 1 95 95 SER CA C 95 62.100 62.100 62.277 -0.177 25448 2554 1 5 . 1 1 95 95 SER CB C 95 62.714 62.714 62.911 -0.197 25448 2555 1 5 . 1 1 95 95 SER H H 95 8.174 8.174 8.208 -0.034 25448 2556 1 5 . 1 1 96 96 ALA N N 96 123.830 123.830 124.301 -0.471 25448 2557 1 5 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.040 -0.149 25448 2558 1 5 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.322 -0.046 25448 2559 1 5 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.302 1.646 25448 2560 1 5 . 1 1 96 96 ALA H H 96 8.110 8.110 8.210 -0.100 25448 2561 1 5 . 1 1 97 97 LYS N N 97 115.893 115.893 117.595 -1.702 25448 2562 1 5 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.971 -0.163 25448 2563 1 5 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.523 0.827 25448 2564 1 5 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.384 0.314 25448 2565 1 5 . 1 1 97 97 LYS H H 97 8.218 8.218 8.066 0.152 25448 2566 1 5 . 1 1 98 98 GLU N N 98 117.006 117.006 116.701 0.305 25448 2567 1 5 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.109 0.031 25448 2568 1 5 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.078 0.144 25448 2569 1 5 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.711 0.065 25448 2570 1 5 . 1 1 98 98 GLU H H 98 7.474 7.474 8.009 -0.535 25448 2571 1 5 . 1 1 99 99 MET N N 99 114.572 114.572 117.113 -2.541 25448 2572 1 5 . 1 1 99 99 MET HA H 99 4.533 4.533 4.388 0.145 25448 2573 1 5 . 1 1 99 99 MET CA C 99 55.292 55.292 55.687 -0.395 25448 2574 1 5 . 1 1 99 99 MET CB C 99 33.777 33.777 33.383 0.394 25448 2575 1 5 . 1 1 99 99 MET H H 99 7.378 7.378 7.902 -0.524 25448 2576 1 5 . 1 1 100 100 VAL N N 100 119.104 119.104 118.584 0.520 25448 2577 1 5 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.661 -0.395 25448 2578 1 5 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.323 0.724 25448 2579 1 5 . 1 1 100 100 VAL CB C 100 31.325 31.325 30.988 0.337 25448 2580 1 5 . 1 1 100 100 VAL H H 100 7.056 7.056 8.115 -1.059 25448 2581 1 5 . 1 1 101 101 GLY N N 101 116.779 116.779 114.705 2.074 25448 2582 1 5 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.689 -0.038 25448 2583 1 5 . 1 1 101 101 GLY H H 101 8.979 8.979 8.780 0.199 25448 2584 1 5 . 1 1 102 102 GLN N N 102 119.990 119.990 120.677 -0.687 25448 2585 1 5 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.353 -0.156 25448 2586 1 5 . 1 1 102 102 GLN C C 102 174.994 174.994 175.272 -0.278 25448 2587 1 5 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.560 1.103 25448 2588 1 5 . 1 1 102 102 GLN CB C 102 28.936 28.936 29.944 -1.008 25448 2589 1 5 . 1 1 102 102 GLN H H 102 8.103 8.103 8.065 0.038 25448 2590 1 5 . 1 1 103 103 LYS N N 103 120.261 120.261 122.374 -2.113 25448 2591 1 5 . 1 1 103 103 LYS HA H 103 5.266 5.266 4.990 0.276 25448 2592 1 5 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.350 -0.708 25448 2593 1 5 . 1 1 103 103 LYS CB C 103 34.196 34.196 34.833 -0.637 25448 2594 1 5 . 1 1 103 103 LYS H H 103 8.310 8.310 8.380 -0.070 25448 2595 1 5 . 1 1 104 104 MET N N 104 119.868 119.868 119.489 0.379 25448 2596 1 5 . 1 1 104 104 MET HA H 104 4.692 4.692 4.785 -0.093 25448 2597 1 5 . 1 1 104 104 MET CA C 104 54.276 54.276 54.271 0.005 25448 2598 1 5 . 1 1 104 104 MET CB C 104 36.831 36.831 37.131 -0.300 25448 2599 1 5 . 1 1 104 104 MET H H 104 8.556 8.556 8.668 -0.112 25448 2600 1 5 . 1 1 105 105 LYS N N 105 120.932 120.932 120.109 0.823 25448 2601 1 5 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.137 0.229 25448 2602 1 5 . 1 1 105 105 LYS CA C 105 57.100 57.100 57.221 -0.121 25448 2603 1 5 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.839 0.051 25448 2604 1 5 . 1 1 105 105 LYS H H 105 8.257 8.257 8.340 -0.083 25448 2605 1 5 . 1 1 106 106 TYR N N 106 122.600 122.600 119.254 3.346 25448 2606 1 5 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.508 -0.090 25448 2607 1 5 . 1 1 106 106 TYR CA C 106 56.726 56.726 58.885 -2.159 25448 2608 1 5 . 1 1 106 106 TYR CB C 106 38.561 38.561 38.596 -0.035 25448 2609 1 5 . 1 1 106 106 TYR H H 106 8.378 8.378 8.618 -0.240 25448 2610 1 5 . 1 1 107 107 SER N N 107 116.904 116.904 117.164 -0.260 25448 2611 1 5 . 1 1 107 107 SER CA C 107 56.717 56.717 58.876 -2.159 25448 2612 1 5 . 1 1 107 107 SER CB C 107 63.983 63.983 63.639 0.344 25448 2613 1 5 . 1 1 107 107 SER H H 107 8.044 8.044 7.789 0.255 25448 2614 1 5 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.716 0.297 25448 2615 1 5 . 1 1 109 109 VAL CA C 109 64.307 64.307 62.249 2.058 25448 2616 1 5 . 1 1 109 109 VAL CB C 109 32.000 32.000 30.990 1.010 25448 2617 1 5 . 1 1 111 111 ARG HA H 111 4.372 4.372 3.742 0.630 25448 2618 1 5 . 1 1 111 111 ARG CA C 111 57.100 57.100 58.565 -1.465 25448 2619 1 5 . 1 1 111 111 ARG CB C 111 28.110 28.110 29.536 -1.426 25448 2620 1 5 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.186 0.302 25448 2621 1 5 . 1 1 113 113 CYS CA C 113 61.609 61.609 63.768 -2.159 25448 2622 1 5 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.485 -0.685 25448 2623 1 5 . 1 1 114 114 GLU N N 114 125.287 125.287 121.857 3.430 25448 2624 1 5 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.328 0.111 25448 2625 1 5 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.390 -0.721 25448 2626 1 5 . 1 1 114 114 GLU CB C 114 30.058 30.058 28.434 1.624 25448 2627 1 5 . 1 1 114 114 GLU H H 114 7.720 7.720 7.574 0.146 25448 2628 1 5 . 1 1 115 115 HIS N N 115 119.008 119.008 117.835 1.173 25448 2629 1 5 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.255 0.142 25448 2630 1 5 . 1 1 115 115 HIS CA C 115 58.460 58.460 57.762 0.698 25448 2631 1 5 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.817 0.244 25448 2632 1 5 . 1 1 115 115 HIS H H 115 8.051 8.051 7.896 0.155 25448 2633 1 5 . 1 1 116 116 PHE N N 116 117.059 117.059 121.429 -4.370 25448 2634 1 5 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.146 0.202 25448 2635 1 5 . 1 1 116 116 PHE CA C 116 61.077 61.077 60.697 0.380 25448 2636 1 5 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.950 0.648 25448 2637 1 5 . 1 1 116 116 PHE H H 116 8.168 8.168 8.106 0.062 25448 2638 1 5 . 1 1 117 117 VAL N N 117 107.857 107.857 115.346 -7.489 25448 2639 1 5 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.206 0.659 25448 2640 1 5 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.325 -0.734 25448 2641 1 5 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.619 -1.046 25448 2642 1 5 . 1 1 117 117 VAL H H 117 7.080 7.080 8.193 -1.113 25448 2643 1 5 . 1 1 118 118 THR N N 118 117.382 117.382 114.173 3.209 25448 2644 1 5 . 1 1 118 118 THR HA H 118 4.046 4.046 3.962 0.084 25448 2645 1 5 . 1 1 118 118 THR CA C 118 66.745 66.745 66.152 0.593 25448 2646 1 5 . 1 1 118 118 THR CB C 118 68.185 68.185 68.400 -0.215 25448 2647 1 5 . 1 1 118 118 THR H H 118 8.465 8.465 8.300 0.165 25448 2648 1 5 . 1 1 119 119 GLN N N 119 121.900 121.900 121.171 0.729 25448 2649 1 5 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.161 -0.276 25448 2650 1 5 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.527 0.475 25448 2651 1 5 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.402 -0.791 25448 2652 1 5 . 1 1 119 119 GLN H H 119 8.074 8.074 7.554 0.520 25448 2653 1 5 . 1 1 120 120 LEU N N 120 117.899 117.899 118.558 -0.659 25448 2654 1 5 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.914 -0.079 25448 2655 1 5 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.562 -0.135 25448 2656 1 5 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.411 0.823 25448 2657 1 5 . 1 1 120 120 LEU H H 120 6.829 6.829 7.650 -0.821 25448 2658 1 5 . 1 1 121 121 ARG N N 121 117.250 117.250 118.390 -1.140 25448 2659 1 5 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.125 -0.205 25448 2660 1 5 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.579 0.464 25448 2661 1 5 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.527 -0.271 25448 2662 1 5 . 1 1 121 121 ARG H H 121 7.677 7.677 7.400 0.277 25448 2663 1 5 . 1 1 122 122 TYR N N 122 111.508 111.508 119.913 -8.405 25448 2664 1 5 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.145 0.495 25448 2665 1 5 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.142 -1.620 25448 2666 1 5 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.604 1.070 25448 2667 1 5 . 1 1 122 122 TYR H H 122 8.114 8.114 8.614 -0.500 25448 2668 1 5 . 1 1 123 123 GLY N N 123 109.399 109.399 105.713 3.686 25448 2669 1 5 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.327 1.014 25448 2670 1 5 . 1 1 123 123 GLY H H 123 8.032 8.032 7.553 0.479 25448 2671 1 5 . 1 1 124 124 LYS N N 124 117.936 117.936 120.326 -2.390 25448 2672 1 5 . 1 1 124 124 LYS HA H 124 4.352 4.352 3.947 0.405 25448 2673 1 5 . 1 1 124 124 LYS CA C 124 55.200 55.200 56.307 -1.107 25448 2674 1 5 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.476 1.522 25448 2675 1 5 . 1 1 124 124 LYS H H 124 7.402 7.402 7.158 0.244 25448 2676 1 6 . 1 1 3 3 SER N N 3 113.812 113.812 116.272 -2.460 25448 2677 1 6 . 1 1 3 3 SER HA H 3 4.697 4.697 4.627 0.070 25448 2678 1 6 . 1 1 3 3 SER CA C 3 58.996 58.996 57.115 1.881 25448 2679 1 6 . 1 1 3 3 SER CB C 3 63.800 63.800 63.178 0.622 25448 2680 1 6 . 1 1 3 3 SER H H 3 7.587 7.587 8.169 -0.582 25448 2681 1 6 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.606 -0.193 25448 2682 1 6 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.907 -0.553 25448 2683 1 6 . 1 1 4 4 PRO CB C 4 31.900 31.900 31.948 -0.048 25448 2684 1 6 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.716 -0.159 25448 2685 1 6 . 1 1 5 5 HIS CA C 5 56.230 56.230 55.864 0.366 25448 2686 1 6 . 1 1 5 5 HIS CB C 5 30.500 30.500 31.190 -0.690 25448 2687 1 6 . 1 1 5 5 HIS H H 5 6.984 6.984 8.236 -1.252 25448 2688 1 6 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.336 -0.048 25448 2689 1 6 . 1 1 6 6 GLN CA C 6 55.174 55.174 56.347 -1.173 25448 2690 1 6 . 1 1 6 6 GLN CB C 6 30.042 30.042 29.213 0.829 25448 2691 1 6 . 1 1 7 7 GLU N N 7 124.477 124.477 122.700 1.777 25448 2692 1 6 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.686 -0.197 25448 2693 1 6 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.834 0.277 25448 2694 1 6 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.660 -1.748 25448 2695 1 6 . 1 1 7 7 GLU H H 7 8.353 8.353 8.350 0.003 25448 2696 1 6 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.575 -0.231 25448 2697 1 6 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.026 0.372 25448 2698 1 6 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.228 -0.828 25448 2699 1 6 . 1 1 9 9 LYS N N 9 122.328 122.328 119.784 2.544 25448 2700 1 6 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.955 -0.082 25448 2701 1 6 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.873 0.278 25448 2702 1 6 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.770 -1.631 25448 2703 1 6 . 1 1 9 9 LYS H H 9 9.336 9.336 8.869 0.467 25448 2704 1 6 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.281 -0.358 25448 2705 1 6 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.613 -0.079 25448 2706 1 6 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.518 0.111 25448 2707 1 6 . 1 1 11 11 GLY N N 11 112.758 112.758 114.669 -1.911 25448 2708 1 6 . 1 1 11 11 GLY CA C 11 45.182 45.182 44.912 0.270 25448 2709 1 6 . 1 1 11 11 GLY H H 11 9.359 9.359 9.133 0.226 25448 2710 1 6 . 1 1 12 12 ASP N N 12 120.500 120.500 121.743 -1.243 25448 2711 1 6 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.886 -0.016 25448 2712 1 6 . 1 1 12 12 ASP CA C 12 55.211 55.211 54.775 0.436 25448 2713 1 6 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.344 1.602 25448 2714 1 6 . 1 1 12 12 ASP H H 12 8.277 8.277 7.989 0.288 25448 2715 1 6 . 1 1 13 13 LEU N N 13 119.594 119.594 122.919 -3.325 25448 2716 1 6 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.967 0.010 25448 2717 1 6 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.264 -0.275 25448 2718 1 6 . 1 1 13 13 LEU CB C 13 41.198 41.198 41.535 -0.337 25448 2719 1 6 . 1 1 13 13 LEU H H 13 9.103 9.103 9.233 -0.130 25448 2720 1 6 . 1 1 14 14 ILE N N 14 121.352 121.352 124.582 -3.230 25448 2721 1 6 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.837 -0.227 25448 2722 1 6 . 1 1 14 14 ILE CA C 14 58.178 58.178 60.196 -2.018 25448 2723 1 6 . 1 1 14 14 ILE CB C 14 39.213 39.213 40.260 -1.047 25448 2724 1 6 . 1 1 14 14 ILE H H 14 9.221 9.221 9.417 -0.196 25448 2725 1 6 . 1 1 15 15 GLU N N 15 129.555 129.555 125.894 3.661 25448 2726 1 6 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.720 -1.502 25448 2727 1 6 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.188 0.260 25448 2728 1 6 . 1 1 15 15 GLU CB C 15 31.783 31.783 31.983 -0.200 25448 2729 1 6 . 1 1 15 15 GLU H H 15 8.625 8.625 9.237 -0.612 25448 2730 1 6 . 1 1 16 16 ILE N N 16 125.258 125.258 120.989 4.269 25448 2731 1 6 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.634 -0.525 25448 2732 1 6 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.730 0.770 25448 2733 1 6 . 1 1 16 16 ILE CB C 16 40.401 40.401 42.265 -1.864 25448 2734 1 6 . 1 1 16 16 ILE H H 16 8.557 8.557 8.422 0.135 25448 2735 1 6 . 1 1 17 17 PHE N N 17 127.058 127.058 126.053 1.005 25448 2736 1 6 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.777 -0.275 25448 2737 1 6 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.463 2.476 25448 2738 1 6 . 1 1 17 17 PHE CB C 17 37.496 37.496 38.558 -1.062 25448 2739 1 6 . 1 1 17 17 PHE H H 17 8.500 8.500 9.069 -0.569 25448 2740 1 6 . 1 1 18 18 ARG N N 18 124.569 124.569 121.373 3.196 25448 2741 1 6 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.335 0.315 25448 2742 1 6 . 1 1 18 18 ARG CA C 18 54.596 54.596 54.622 -0.026 25448 2743 1 6 . 1 1 18 18 ARG CB C 18 30.206 30.206 31.183 -0.978 25448 2744 1 6 . 1 1 18 18 ARG H H 18 7.686 7.686 7.999 -0.313 25448 2745 1 6 . 1 1 19 19 LEU N N 19 121.049 121.049 123.007 -1.958 25448 2746 1 6 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.223 0.201 25448 2747 1 6 . 1 1 19 19 LEU CA C 19 56.123 56.123 55.887 0.236 25448 2748 1 6 . 1 1 19 19 LEU CB C 19 40.296 40.296 41.339 -1.043 25448 2749 1 6 . 1 1 19 19 LEU H H 19 8.103 8.103 8.618 -0.515 25448 2750 1 6 . 1 1 20 20 GLY N N 20 115.623 115.623 114.593 1.030 25448 2751 1 6 . 1 1 20 20 GLY CA C 20 45.736 45.736 45.002 0.734 25448 2752 1 6 . 1 1 20 20 GLY H H 20 8.686 8.686 8.884 -0.198 25448 2753 1 6 . 1 1 21 21 TYR N N 21 115.905 115.905 116.068 -0.163 25448 2754 1 6 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.848 -0.088 25448 2755 1 6 . 1 1 21 21 TYR CA C 21 56.507 56.507 55.559 0.949 25448 2756 1 6 . 1 1 21 21 TYR CB C 21 38.631 38.631 39.307 -0.676 25448 2757 1 6 . 1 1 21 21 TYR H H 21 7.433 7.433 7.743 -0.310 25448 2758 1 6 . 1 1 22 22 GLU N N 22 116.649 116.649 122.618 -5.969 25448 2759 1 6 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.670 0.490 25448 2760 1 6 . 1 1 22 22 GLU CA C 22 56.255 56.255 55.885 0.370 25448 2761 1 6 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.818 1.349 25448 2762 1 6 . 1 1 22 22 GLU H H 22 8.139 8.139 8.560 -0.421 25448 2763 1 6 . 1 1 23 23 HIS N N 23 122.171 122.171 118.566 3.605 25448 2764 1 6 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.927 0.661 25448 2765 1 6 . 1 1 23 23 HIS CA C 23 54.161 54.161 55.511 -1.350 25448 2766 1 6 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.279 1.091 25448 2767 1 6 . 1 1 23 23 HIS H H 23 8.943 8.943 8.272 0.671 25448 2768 1 6 . 1 1 24 24 TRP N N 24 124.412 124.412 120.777 3.635 25448 2769 1 6 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.531 0.166 25448 2770 1 6 . 1 1 24 24 TRP CA C 24 55.906 55.906 55.965 -0.059 25448 2771 1 6 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.724 -1.568 25448 2772 1 6 . 1 1 24 24 TRP H H 24 6.764 6.764 7.555 -0.791 25448 2773 1 6 . 1 1 25 25 ALA N N 25 121.149 121.149 120.125 1.024 25448 2774 1 6 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.053 -0.192 25448 2775 1 6 . 1 1 25 25 ALA CA C 25 50.352 50.352 51.094 -0.742 25448 2776 1 6 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.337 -0.384 25448 2777 1 6 . 1 1 25 25 ALA H H 25 9.336 9.336 9.224 0.112 25448 2778 1 6 . 1 1 26 26 LEU N N 26 122.472 122.472 123.158 -0.686 25448 2779 1 6 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.254 0.006 25448 2780 1 6 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.900 0.741 25448 2781 1 6 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.724 1.697 25448 2782 1 6 . 1 1 26 26 LEU H H 26 8.835 8.835 8.976 -0.141 25448 2783 1 6 . 1 1 27 27 TYR N N 27 128.215 128.215 129.134 -0.919 25448 2784 1 6 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.725 0.027 25448 2785 1 6 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.340 1.462 25448 2786 1 6 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.867 -1.197 25448 2787 1 6 . 1 1 27 27 TYR H H 27 9.750 9.750 9.246 0.504 25448 2788 1 6 . 1 1 28 28 ILE N N 28 119.796 119.796 122.199 -2.403 25448 2789 1 6 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.482 0.091 25448 2790 1 6 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.268 0.550 25448 2791 1 6 . 1 1 28 28 ILE CB C 28 38.900 38.900 38.860 0.040 25448 2792 1 6 . 1 1 28 28 ILE H H 28 8.196 8.196 7.999 0.197 25448 2793 1 6 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.255 -0.255 25448 2794 1 6 . 1 1 29 29 GLY H H 29 6.584 6.584 6.568 0.016 25448 2795 1 6 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.349 0.073 25448 2796 1 6 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.112 0.528 25448 2797 1 6 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.124 0.129 25448 2798 1 6 . 1 1 30 30 ASP H H 30 6.837 6.837 8.889 -2.052 25448 2799 1 6 . 1 1 31 31 GLY N N 31 124.953 124.953 102.243 22.710 25448 2800 1 6 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.147 0.391 25448 2801 1 6 . 1 1 31 31 GLY H H 31 8.120 8.120 8.030 0.090 25448 2802 1 6 . 1 1 32 32 TYR N N 32 120.196 120.196 120.290 -0.094 25448 2803 1 6 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.031 -0.101 25448 2804 1 6 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.118 0.670 25448 2805 1 6 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.521 1.474 25448 2806 1 6 . 1 1 32 32 TYR H H 32 7.843 7.843 7.644 0.199 25448 2807 1 6 . 1 1 33 33 VAL N N 33 109.892 109.892 114.287 -4.395 25448 2808 1 6 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.106 0.360 25448 2809 1 6 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.997 -2.537 25448 2810 1 6 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.913 -0.756 25448 2811 1 6 . 1 1 33 33 VAL H H 33 9.242 9.242 9.288 -0.046 25448 2812 1 6 . 1 1 34 34 ILE N N 34 119.424 119.424 121.518 -2.094 25448 2813 1 6 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.408 0.147 25448 2814 1 6 . 1 1 34 34 ILE CA C 34 60.331 60.331 59.927 0.404 25448 2815 1 6 . 1 1 34 34 ILE CB C 34 40.932 40.932 41.086 -0.154 25448 2816 1 6 . 1 1 34 34 ILE H H 34 9.084 9.084 8.955 0.129 25448 2817 1 6 . 1 1 35 35 HIS N N 35 123.118 123.118 121.219 1.899 25448 2818 1 6 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.235 -0.077 25448 2819 1 6 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.649 -0.431 25448 2820 1 6 . 1 1 35 35 HIS CB C 35 35.000 35.000 33.267 1.733 25448 2821 1 6 . 1 1 35 35 HIS H H 35 9.110 9.110 9.488 -0.378 25448 2822 1 6 . 1 1 36 36 LEU N N 36 123.704 123.704 123.019 0.685 25448 2823 1 6 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.711 -0.627 25448 2824 1 6 . 1 1 36 36 LEU CA C 36 53.682 53.682 53.024 0.658 25448 2825 1 6 . 1 1 36 36 LEU CB C 36 41.631 41.631 44.214 -2.583 25448 2826 1 6 . 1 1 36 36 LEU H H 36 8.991 8.991 8.015 0.976 25448 2827 1 6 . 1 1 37 37 ALA N N 37 129.765 129.765 129.925 -0.160 25448 2828 1 6 . 1 1 37 37 ALA HA H 37 4.327 4.327 5.153 -0.826 25448 2829 1 6 . 1 1 37 37 ALA CA C 37 49.698 49.698 48.917 0.781 25448 2830 1 6 . 1 1 37 37 ALA CB C 37 19.428 19.428 19.609 -0.181 25448 2831 1 6 . 1 1 37 37 ALA H H 37 8.050 8.050 8.809 -0.759 25448 2832 1 6 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.802 -0.798 25448 2833 1 6 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.281 -0.481 25448 2834 1 6 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.436 -0.908 25448 2835 1 6 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.706 -0.332 25448 2836 1 6 . 1 1 39 39 PRO CA C 39 62.900 62.900 62.589 0.311 25448 2837 1 6 . 1 1 39 39 PRO CB C 39 32.000 32.000 32.434 -0.433 25448 2838 1 6 . 1 1 40 40 SER N N 40 114.906 114.906 116.679 -1.773 25448 2839 1 6 . 1 1 40 40 SER HA H 40 4.326 4.326 4.280 0.046 25448 2840 1 6 . 1 1 40 40 SER CA C 40 58.700 58.700 60.912 -2.212 25448 2841 1 6 . 1 1 40 40 SER CB C 40 64.004 64.004 63.589 0.415 25448 2842 1 6 . 1 1 40 40 SER H H 40 8.184 8.184 8.800 -0.616 25448 2843 1 6 . 1 1 41 41 GLU N N 41 121.221 121.221 119.871 1.350 25448 2844 1 6 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.063 0.198 25448 2845 1 6 . 1 1 41 41 GLU CA C 41 56.424 56.424 55.450 0.974 25448 2846 1 6 . 1 1 41 41 GLU CB C 41 30.514 30.514 30.315 0.199 25448 2847 1 6 . 1 1 41 41 GLU H H 41 8.401 8.401 7.748 0.653 25448 2848 1 6 . 1 1 42 42 TYR N N 42 121.900 121.900 122.282 -0.382 25448 2849 1 6 . 1 1 42 42 TYR HA H 42 4.780 4.780 5.067 -0.287 25448 2850 1 6 . 1 1 42 42 TYR CA C 42 55.700 55.700 54.358 1.341 25448 2851 1 6 . 1 1 42 42 TYR CB C 42 38.400 38.400 36.756 1.644 25448 2852 1 6 . 1 1 42 42 TYR H H 42 8.117 8.117 7.766 0.351 25448 2853 1 6 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.153 0.250 25448 2854 1 6 . 1 1 43 43 PRO CA C 43 63.480 63.480 63.313 0.167 25448 2855 1 6 . 1 1 43 43 PRO CB C 43 31.800 31.800 31.879 -0.079 25448 2856 1 6 . 1 1 44 44 GLY N N 44 109.030 109.030 108.929 0.101 25448 2857 1 6 . 1 1 44 44 GLY CA C 44 45.244 45.244 45.078 0.166 25448 2858 1 6 . 1 1 44 44 GLY H H 44 8.001 8.001 8.526 -0.525 25448 2859 1 6 . 1 1 45 45 ALA N N 45 123.500 123.500 123.038 0.462 25448 2860 1 6 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.281 0.031 25448 2861 1 6 . 1 1 45 45 ALA CA C 45 52.853 52.853 52.904 -0.051 25448 2862 1 6 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.053 0.269 25448 2863 1 6 . 1 1 45 45 ALA H H 45 8.082 8.082 7.833 0.249 25448 2864 1 6 . 1 1 46 46 GLY N N 46 108.151 108.151 105.879 2.272 25448 2865 1 6 . 1 1 46 46 GLY CA C 46 45.460 45.460 45.282 0.178 25448 2866 1 6 . 1 1 46 46 GLY H H 46 8.408 8.408 7.821 0.587 25448 2867 1 6 . 1 1 48 48 SER N N 48 116.904 116.904 121.640 -4.736 25448 2868 1 6 . 1 1 48 48 SER HA H 48 4.700 4.700 4.459 0.241 25448 2869 1 6 . 1 1 48 48 SER H H 48 8.044 8.044 8.921 -0.877 25448 2870 1 6 . 1 1 49 49 SER HA H 49 4.456 4.456 4.088 0.368 25448 2871 1 6 . 1 1 49 49 SER CA C 49 58.713 58.713 61.164 -2.451 25448 2872 1 6 . 1 1 49 49 SER CB C 49 64.000 64.000 62.576 1.424 25448 2873 1 6 . 1 1 50 50 VAL N N 50 120.352 120.352 116.612 3.740 25448 2874 1 6 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.640 0.393 25448 2875 1 6 . 1 1 50 50 VAL CA C 50 62.816 62.816 65.037 -2.221 25448 2876 1 6 . 1 1 50 50 VAL CB C 50 32.416 32.416 31.295 1.121 25448 2877 1 6 . 1 1 50 50 VAL H H 50 7.890 7.890 7.974 -0.084 25448 2878 1 6 . 1 1 51 51 PHE N N 51 121.600 121.600 119.239 2.361 25448 2879 1 6 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.702 -0.126 25448 2880 1 6 . 1 1 51 51 PHE CA C 51 58.198 58.198 60.163 -1.965 25448 2881 1 6 . 1 1 51 51 PHE CB C 51 39.470 39.470 39.413 0.057 25448 2882 1 6 . 1 1 51 51 PHE H H 51 7.989 7.989 7.767 0.222 25448 2883 1 6 . 1 1 52 52 SER N N 52 116.521 116.521 117.786 -1.265 25448 2884 1 6 . 1 1 52 52 SER HA H 52 4.429 4.429 4.260 0.169 25448 2885 1 6 . 1 1 52 52 SER C C 52 174.445 174.445 176.406 -1.961 25448 2886 1 6 . 1 1 52 52 SER CA C 52 58.365 58.365 61.832 -3.467 25448 2887 1 6 . 1 1 52 52 SER CB C 52 64.018 64.018 63.155 0.863 25448 2888 1 6 . 1 1 52 52 SER H H 52 8.018 8.018 8.631 -0.613 25448 2889 1 6 . 1 1 53 53 VAL N N 53 120.571 120.571 119.088 1.483 25448 2890 1 6 . 1 1 53 53 VAL HA H 53 4.103 4.103 3.718 0.385 25448 2891 1 6 . 1 1 53 53 VAL CA C 53 62.979 62.979 65.587 -2.607 25448 2892 1 6 . 1 1 53 53 VAL CB C 53 32.416 32.416 31.252 1.165 25448 2893 1 6 . 1 1 53 53 VAL H H 53 7.959 7.959 8.371 -0.412 25448 2894 1 6 . 1 1 54 54 LEU N N 54 123.703 123.703 118.880 4.823 25448 2895 1 6 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.257 0.109 25448 2896 1 6 . 1 1 54 54 LEU CA C 54 55.500 55.500 56.310 -0.810 25448 2897 1 6 . 1 1 54 54 LEU CB C 54 42.293 42.293 42.156 0.137 25448 2898 1 6 . 1 1 54 54 LEU H H 54 8.095 8.095 8.000 0.095 25448 2899 1 6 . 1 1 55 55 SER N N 55 115.309 115.309 113.686 1.623 25448 2900 1 6 . 1 1 55 55 SER HA H 55 4.399 4.399 4.595 -0.196 25448 2901 1 6 . 1 1 55 55 SER CA C 55 58.365 58.365 58.635 -0.270 25448 2902 1 6 . 1 1 55 55 SER CB C 55 64.110 64.110 65.298 -1.188 25448 2903 1 6 . 1 1 55 55 SER H H 55 8.063 8.063 8.242 -0.179 25448 2904 1 6 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.681 0.237 25448 2905 1 6 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.533 -0.382 25448 2906 1 6 . 1 1 56 56 ASN CB C 56 39.339 39.339 39.443 -0.104 25448 2907 1 6 . 1 1 57 57 SER N N 57 115.102 115.102 113.537 1.565 25448 2908 1 6 . 1 1 57 57 SER HA H 57 4.694 4.694 4.548 0.146 25448 2909 1 6 . 1 1 57 57 SER CA C 57 58.307 58.307 57.728 0.579 25448 2910 1 6 . 1 1 57 57 SER CB C 57 64.838 64.838 65.947 -1.109 25448 2911 1 6 . 1 1 57 57 SER H H 57 8.065 8.065 8.050 0.015 25448 2912 1 6 . 1 1 58 58 ALA N N 58 125.610 125.610 122.423 3.187 25448 2913 1 6 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.989 -0.495 25448 2914 1 6 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.613 0.668 25448 2915 1 6 . 1 1 58 58 ALA CB C 58 22.479 22.479 21.182 1.297 25448 2916 1 6 . 1 1 58 58 ALA H H 58 8.548 8.548 8.395 0.153 25448 2917 1 6 . 1 1 59 59 GLU N N 59 120.190 120.190 121.993 -1.803 25448 2918 1 6 . 1 1 59 59 GLU HA H 59 5.033 5.033 4.996 0.037 25448 2919 1 6 . 1 1 59 59 GLU CA C 59 54.004 54.004 54.767 -0.763 25448 2920 1 6 . 1 1 59 59 GLU CB C 59 34.292 34.292 34.534 -0.242 25448 2921 1 6 . 1 1 59 59 GLU H H 59 8.116 8.116 8.159 -0.043 25448 2922 1 6 . 1 1 60 60 VAL N N 60 125.380 125.380 126.204 -0.824 25448 2923 1 6 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.145 0.193 25448 2924 1 6 . 1 1 60 60 VAL CA C 60 62.784 62.784 63.116 -0.332 25448 2925 1 6 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.454 -0.698 25448 2926 1 6 . 1 1 60 60 VAL H H 60 8.531 8.531 8.899 -0.368 25448 2927 1 6 . 1 1 61 61 LYS N N 61 129.548 129.548 126.179 3.369 25448 2928 1 6 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.732 0.168 25448 2929 1 6 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.430 1.154 25448 2930 1 6 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.228 0.806 25448 2931 1 6 . 1 1 61 61 LYS H H 61 9.068 9.068 8.854 0.214 25448 2932 1 6 . 1 1 62 62 ARG N N 62 123.653 123.653 123.129 0.524 25448 2933 1 6 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.410 0.292 25448 2934 1 6 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.013 -0.627 25448 2935 1 6 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.495 -0.537 25448 2936 1 6 . 1 1 62 62 ARG H H 62 8.749 8.749 8.614 0.135 25448 2937 1 6 . 1 1 63 63 GLU N N 63 125.033 125.033 123.452 1.581 25448 2938 1 6 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.745 0.253 25448 2939 1 6 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.950 -0.072 25448 2940 1 6 . 1 1 63 63 GLU CB C 63 36.983 36.983 33.779 3.204 25448 2941 1 6 . 1 1 63 63 GLU H H 63 8.973 8.973 9.100 -0.127 25448 2942 1 6 . 1 1 64 64 ARG N N 64 121.855 121.855 120.235 1.620 25448 2943 1 6 . 1 1 64 64 ARG HA H 64 3.900 3.900 4.121 -0.221 25448 2944 1 6 . 1 1 64 64 ARG CA C 64 56.900 56.900 57.135 -0.235 25448 2945 1 6 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.430 -0.884 25448 2946 1 6 . 1 1 64 64 ARG H H 64 9.273 9.273 8.714 0.559 25448 2947 1 6 . 1 1 65 65 LEU N N 65 124.611 124.611 126.337 -1.726 25448 2948 1 6 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.796 -0.226 25448 2949 1 6 . 1 1 65 65 LEU CA C 65 59.010 59.010 59.274 -0.264 25448 2950 1 6 . 1 1 65 65 LEU CB C 65 41.723 41.723 42.009 -0.286 25448 2951 1 6 . 1 1 65 65 LEU H H 65 8.823 8.823 8.782 0.041 25448 2952 1 6 . 1 1 66 66 GLU N N 66 115.188 115.188 118.411 -3.223 25448 2953 1 6 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.760 0.075 25448 2954 1 6 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.993 -0.339 25448 2955 1 6 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.836 0.324 25448 2956 1 6 . 1 1 66 66 GLU H H 66 9.360 9.360 8.817 0.543 25448 2957 1 6 . 1 1 67 67 ASP N N 67 118.590 118.590 118.365 0.225 25448 2958 1 6 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.399 0.061 25448 2959 1 6 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.801 -0.234 25448 2960 1 6 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.475 0.195 25448 2961 1 6 . 1 1 67 67 ASP H H 67 6.806 6.806 8.345 -1.539 25448 2962 1 6 . 1 1 68 68 VAL N N 68 119.985 119.985 119.114 0.871 25448 2963 1 6 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.694 -0.078 25448 2964 1 6 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.521 -0.451 25448 2965 1 6 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.816 0.351 25448 2966 1 6 . 1 1 68 68 VAL H H 68 7.414 7.414 8.040 -0.626 25448 2967 1 6 . 1 1 69 69 VAL N N 69 116.972 116.972 114.828 2.144 25448 2968 1 6 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.690 -0.188 25448 2969 1 6 . 1 1 69 69 VAL CA C 69 65.337 65.337 63.251 2.086 25448 2970 1 6 . 1 1 69 69 VAL CB C 69 32.036 32.036 31.371 0.665 25448 2971 1 6 . 1 1 69 69 VAL H H 69 8.261 8.261 8.177 0.084 25448 2972 1 6 . 1 1 70 70 GLY N N 70 107.311 107.311 110.312 -3.001 25448 2973 1 6 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.500 1.110 25448 2974 1 6 . 1 1 70 70 GLY H H 70 7.395 7.395 8.417 -1.022 25448 2975 1 6 . 1 1 71 71 GLY N N 71 110.582 110.582 110.604 -0.022 25448 2976 1 6 . 1 1 71 71 GLY CA C 71 45.176 45.176 44.541 0.635 25448 2977 1 6 . 1 1 71 71 GLY H H 71 8.831 8.831 8.492 0.339 25448 2978 1 6 . 1 1 72 72 CYS N N 72 118.742 118.742 118.689 0.053 25448 2979 1 6 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.407 0.091 25448 2980 1 6 . 1 1 72 72 CYS CA C 72 60.154 60.154 59.919 0.235 25448 2981 1 6 . 1 1 72 72 CYS CB C 72 29.295 29.295 28.452 0.843 25448 2982 1 6 . 1 1 72 72 CYS H H 72 7.613 7.613 7.628 -0.015 25448 2983 1 6 . 1 1 73 73 CYS N N 73 120.205 120.205 123.049 -2.844 25448 2984 1 6 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.507 0.024 25448 2985 1 6 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.727 0.065 25448 2986 1 6 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.700 -0.654 25448 2987 1 6 . 1 1 73 73 CYS H H 73 9.007 9.007 8.614 0.393 25448 2988 1 6 . 1 1 74 74 TYR N N 74 119.008 119.008 120.153 -1.145 25448 2989 1 6 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.537 0.060 25448 2990 1 6 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.562 -0.972 25448 2991 1 6 . 1 1 74 74 TYR CB C 74 41.876 41.876 41.172 0.704 25448 2992 1 6 . 1 1 74 74 TYR H H 74 8.141 8.141 8.125 0.016 25448 2993 1 6 . 1 1 75 75 ARG N N 75 115.457 115.457 117.608 -2.151 25448 2994 1 6 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.632 0.007 25448 2995 1 6 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.923 -0.928 25448 2996 1 6 . 1 1 75 75 ARG CB C 75 33.235 33.235 33.517 -0.282 25448 2997 1 6 . 1 1 75 75 ARG H H 75 9.008 9.008 9.077 -0.069 25448 2998 1 6 . 1 1 76 76 VAL N N 76 123.071 123.071 121.774 1.297 25448 2999 1 6 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.504 0.059 25448 3000 1 6 . 1 1 76 76 VAL CA C 76 62.968 62.968 61.941 1.027 25448 3001 1 6 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.157 -0.192 25448 3002 1 6 . 1 1 76 76 VAL H H 76 8.511 8.511 9.253 -0.742 25448 3003 1 6 . 1 1 77 77 ASN N N 77 126.125 126.125 126.024 0.101 25448 3004 1 6 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.859 -0.004 25448 3005 1 6 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.930 -0.858 25448 3006 1 6 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.408 -0.768 25448 3007 1 6 . 1 1 77 77 ASN H H 77 8.824 8.824 9.011 -0.187 25448 3008 1 6 . 1 1 78 78 ASN N N 78 124.269 124.269 123.144 1.125 25448 3009 1 6 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.850 0.496 25448 3010 1 6 . 1 1 78 78 ASN CA C 78 52.124 52.124 52.935 -0.811 25448 3011 1 6 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.860 0.088 25448 3012 1 6 . 1 1 78 78 ASN H H 78 8.685 8.685 8.830 -0.145 25448 3013 1 6 . 1 1 79 79 SER N N 79 117.959 117.959 117.548 0.411 25448 3014 1 6 . 1 1 79 79 SER HA H 79 4.112 4.112 4.274 -0.162 25448 3015 1 6 . 1 1 79 79 SER CA C 79 62.669 62.669 60.933 1.736 25448 3016 1 6 . 1 1 79 79 SER CB C 79 63.727 63.727 63.615 0.112 25448 3017 1 6 . 1 1 79 79 SER H H 79 8.109 8.109 8.102 0.007 25448 3018 1 6 . 1 1 80 80 LEU N N 80 121.272 121.272 120.956 0.316 25448 3019 1 6 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.290 0.180 25448 3020 1 6 . 1 1 80 80 LEU CA C 80 55.542 55.542 55.215 0.327 25448 3021 1 6 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.345 0.155 25448 3022 1 6 . 1 1 80 80 LEU H H 80 7.947 7.947 8.127 -0.180 25448 3023 1 6 . 1 1 81 81 ASP N N 81 121.692 121.692 119.957 1.735 25448 3024 1 6 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.421 0.669 25448 3025 1 6 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.791 -0.188 25448 3026 1 6 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.030 -0.730 25448 3027 1 6 . 1 1 81 81 ASP H H 81 8.294 8.294 7.837 0.457 25448 3028 1 6 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.501 -0.046 25448 3029 1 6 . 1 1 82 82 HIS CA C 82 57.900 57.900 58.016 -0.116 25448 3030 1 6 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.512 -0.746 25448 3031 1 6 . 1 1 83 83 GLU N N 83 118.940 118.940 118.087 0.853 25448 3032 1 6 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.049 0.104 25448 3033 1 6 . 1 1 83 83 GLU CA C 83 56.870 56.870 56.880 -0.010 25448 3034 1 6 . 1 1 83 83 GLU CB C 83 32.422 32.422 31.045 1.377 25448 3035 1 6 . 1 1 83 83 GLU H H 83 7.476 7.476 7.796 -0.320 25448 3036 1 6 . 1 1 84 84 TYR N N 84 119.225 119.225 118.509 0.716 25448 3037 1 6 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.815 -0.049 25448 3038 1 6 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.328 -1.405 25448 3039 1 6 . 1 1 84 84 TYR CB C 84 41.224 41.224 40.077 1.147 25448 3040 1 6 . 1 1 84 84 TYR H H 84 8.207 8.207 8.020 0.187 25448 3041 1 6 . 1 1 85 85 GLN N N 85 119.667 119.667 120.194 -0.527 25448 3042 1 6 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.454 0.344 25448 3043 1 6 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.595 -1.392 25448 3044 1 6 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.377 0.989 25448 3045 1 6 . 1 1 85 85 GLN H H 85 8.264 8.264 8.607 -0.343 25448 3046 1 6 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.440 -0.018 25448 3047 1 6 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.281 -0.670 25448 3048 1 6 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.141 -0.290 25448 3049 1 6 . 1 1 87 87 ARG N N 87 121.150 121.150 123.643 -2.493 25448 3050 1 6 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.773 -0.368 25448 3051 1 6 . 1 1 87 87 ARG CA C 87 55.600 55.600 52.834 2.766 25448 3052 1 6 . 1 1 87 87 ARG CB C 87 29.301 29.301 29.960 -0.659 25448 3053 1 6 . 1 1 87 87 ARG H H 87 8.254 8.254 8.421 -0.167 25448 3054 1 6 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.509 -0.062 25448 3055 1 6 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.723 0.256 25448 3056 1 6 . 1 1 88 88 PRO CB C 88 32.270 32.270 31.881 0.390 25448 3057 1 6 . 1 1 89 89 VAL N N 89 125.682 125.682 126.859 -1.177 25448 3058 1 6 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.597 -0.096 25448 3059 1 6 . 1 1 89 89 VAL CA C 89 67.411 67.411 66.031 1.380 25448 3060 1 6 . 1 1 89 89 VAL CB C 89 31.635 31.635 31.489 0.146 25448 3061 1 6 . 1 1 89 89 VAL H H 89 8.678 8.678 8.500 0.178 25448 3062 1 6 . 1 1 90 90 GLU N N 90 117.092 117.092 119.526 -2.434 25448 3063 1 6 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.061 -0.034 25448 3064 1 6 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.436 0.579 25448 3065 1 6 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.780 -0.148 25448 3066 1 6 . 1 1 90 90 GLU H H 90 9.318 9.318 8.902 0.416 25448 3067 1 6 . 1 1 91 91 VAL N N 91 119.967 119.967 119.896 0.071 25448 3068 1 6 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.684 0.180 25448 3069 1 6 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.662 -0.662 25448 3070 1 6 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.754 0.147 25448 3071 1 6 . 1 1 91 91 VAL H H 91 7.153 7.153 7.615 -0.462 25448 3072 1 6 . 1 1 92 92 ILE N N 92 122.669 122.669 121.474 1.195 25448 3073 1 6 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.892 -0.582 25448 3074 1 6 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.408 1.303 25448 3075 1 6 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.904 0.659 25448 3076 1 6 . 1 1 92 92 ILE H H 92 8.004 8.004 7.292 0.712 25448 3077 1 6 . 1 1 93 93 ILE N N 93 115.049 115.049 119.522 -4.473 25448 3078 1 6 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.577 -0.045 25448 3079 1 6 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.706 -0.621 25448 3080 1 6 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.617 -0.454 25448 3081 1 6 . 1 1 93 93 ILE H H 93 8.305 8.305 8.311 -0.006 25448 3082 1 6 . 1 1 94 94 SER N N 94 115.196 115.196 115.602 -0.406 25448 3083 1 6 . 1 1 94 94 SER HA H 94 4.101 4.101 4.024 0.077 25448 3084 1 6 . 1 1 94 94 SER CA C 94 62.300 62.300 61.931 0.369 25448 3085 1 6 . 1 1 94 94 SER H H 94 7.927 7.927 8.488 -0.561 25448 3086 1 6 . 1 1 95 95 SER N N 95 117.891 117.891 118.228 -0.337 25448 3087 1 6 . 1 1 95 95 SER HA H 95 4.209 4.209 4.162 0.047 25448 3088 1 6 . 1 1 95 95 SER CA C 95 62.100 62.100 61.267 0.833 25448 3089 1 6 . 1 1 95 95 SER CB C 95 62.714 62.714 63.073 -0.359 25448 3090 1 6 . 1 1 95 95 SER H H 95 8.174 8.174 8.294 -0.120 25448 3091 1 6 . 1 1 96 96 ALA N N 96 123.830 123.830 124.305 -0.475 25448 3092 1 6 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.086 -0.195 25448 3093 1 6 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.440 -0.164 25448 3094 1 6 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.267 1.681 25448 3095 1 6 . 1 1 96 96 ALA H H 96 8.110 8.110 8.255 -0.145 25448 3096 1 6 . 1 1 97 97 LYS N N 97 115.893 115.893 117.508 -1.615 25448 3097 1 6 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.965 -0.157 25448 3098 1 6 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.484 0.865 25448 3099 1 6 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.433 0.265 25448 3100 1 6 . 1 1 97 97 LYS H H 97 8.218 8.218 8.250 -0.032 25448 3101 1 6 . 1 1 98 98 GLU N N 98 117.006 117.006 117.035 -0.029 25448 3102 1 6 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.069 0.071 25448 3103 1 6 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.340 -0.118 25448 3104 1 6 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.793 -0.017 25448 3105 1 6 . 1 1 98 98 GLU H H 98 7.474 7.474 8.104 -0.630 25448 3106 1 6 . 1 1 99 99 MET N N 99 114.572 114.572 117.160 -2.588 25448 3107 1 6 . 1 1 99 99 MET HA H 99 4.533 4.533 4.346 0.187 25448 3108 1 6 . 1 1 99 99 MET CA C 99 55.292 55.292 56.314 -1.022 25448 3109 1 6 . 1 1 99 99 MET CB C 99 33.777 33.777 33.316 0.461 25448 3110 1 6 . 1 1 99 99 MET H H 99 7.378 7.378 8.161 -0.783 25448 3111 1 6 . 1 1 100 100 VAL N N 100 119.104 119.104 118.536 0.568 25448 3112 1 6 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.573 -0.307 25448 3113 1 6 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.086 0.961 25448 3114 1 6 . 1 1 100 100 VAL CB C 100 31.325 31.325 31.472 -0.147 25448 3115 1 6 . 1 1 100 100 VAL H H 100 7.056 7.056 8.195 -1.139 25448 3116 1 6 . 1 1 101 101 GLY N N 101 116.779 116.779 114.073 2.706 25448 3117 1 6 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.697 -0.045 25448 3118 1 6 . 1 1 101 101 GLY H H 101 8.979 8.979 8.772 0.207 25448 3119 1 6 . 1 1 102 102 GLN N N 102 119.990 119.990 120.748 -0.758 25448 3120 1 6 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.374 -0.177 25448 3121 1 6 . 1 1 102 102 GLN C C 102 174.994 174.994 175.339 -0.345 25448 3122 1 6 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.209 1.454 25448 3123 1 6 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.033 -1.097 25448 3124 1 6 . 1 1 102 102 GLN H H 102 8.103 8.103 8.028 0.075 25448 3125 1 6 . 1 1 103 103 LYS N N 103 120.261 120.261 123.919 -3.658 25448 3126 1 6 . 1 1 103 103 LYS HA H 103 5.266 5.266 4.933 0.333 25448 3127 1 6 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.873 -1.231 25448 3128 1 6 . 1 1 103 103 LYS CB C 103 34.196 34.196 34.020 0.176 25448 3129 1 6 . 1 1 103 103 LYS H H 103 8.310 8.310 8.432 -0.122 25448 3130 1 6 . 1 1 104 104 MET N N 104 119.868 119.868 120.192 -0.324 25448 3131 1 6 . 1 1 104 104 MET HA H 104 4.692 4.692 4.719 -0.027 25448 3132 1 6 . 1 1 104 104 MET CA C 104 54.276 54.276 52.684 1.592 25448 3133 1 6 . 1 1 104 104 MET CB C 104 36.831 36.831 35.668 1.163 25448 3134 1 6 . 1 1 104 104 MET H H 104 8.556 8.556 8.669 -0.113 25448 3135 1 6 . 1 1 105 105 LYS N N 105 120.932 120.932 120.878 0.054 25448 3136 1 6 . 1 1 105 105 LYS HA H 105 4.366 4.366 3.875 0.491 25448 3137 1 6 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.592 0.508 25448 3138 1 6 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.844 0.046 25448 3139 1 6 . 1 1 105 105 LYS H H 105 8.257 8.257 8.387 -0.130 25448 3140 1 6 . 1 1 106 106 TYR N N 106 122.600 122.600 118.655 3.945 25448 3141 1 6 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.525 -0.107 25448 3142 1 6 . 1 1 106 106 TYR CA C 106 56.726 56.726 58.769 -2.043 25448 3143 1 6 . 1 1 106 106 TYR CB C 106 38.561 38.561 38.924 -0.363 25448 3144 1 6 . 1 1 106 106 TYR H H 106 8.378 8.378 7.996 0.382 25448 3145 1 6 . 1 1 107 107 SER N N 107 116.904 116.904 113.701 3.203 25448 3146 1 6 . 1 1 107 107 SER CA C 107 56.717 56.717 56.648 0.069 25448 3147 1 6 . 1 1 107 107 SER CB C 107 63.983 63.983 65.564 -1.581 25448 3148 1 6 . 1 1 107 107 SER H H 107 8.044 8.044 8.422 -0.378 25448 3149 1 6 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.758 0.255 25448 3150 1 6 . 1 1 109 109 VAL CA C 109 64.307 64.307 63.810 0.496 25448 3151 1 6 . 1 1 109 109 VAL CB C 109 32.000 32.000 29.688 2.312 25448 3152 1 6 . 1 1 111 111 ARG HA H 111 4.372 4.372 3.986 0.386 25448 3153 1 6 . 1 1 111 111 ARG CA C 111 57.100 57.100 56.578 0.522 25448 3154 1 6 . 1 1 111 111 ARG CB C 111 28.110 28.110 29.423 -1.313 25448 3155 1 6 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.487 0.001 25448 3156 1 6 . 1 1 113 113 CYS CA C 113 61.609 61.609 62.494 -0.885 25448 3157 1 6 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.707 -0.907 25448 3158 1 6 . 1 1 114 114 GLU N N 114 125.287 125.287 119.605 5.682 25448 3159 1 6 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.483 -0.044 25448 3160 1 6 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.002 -0.333 25448 3161 1 6 . 1 1 114 114 GLU CB C 114 30.058 30.058 26.500 3.558 25448 3162 1 6 . 1 1 114 114 GLU H H 114 7.720 7.720 8.664 -0.944 25448 3163 1 6 . 1 1 115 115 HIS N N 115 119.008 119.008 119.938 -0.930 25448 3164 1 6 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.310 0.087 25448 3165 1 6 . 1 1 115 115 HIS CA C 115 58.460 58.460 59.480 -1.020 25448 3166 1 6 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.647 0.414 25448 3167 1 6 . 1 1 115 115 HIS H H 115 8.051 8.051 8.068 -0.017 25448 3168 1 6 . 1 1 116 116 PHE N N 116 117.059 117.059 121.065 -4.006 25448 3169 1 6 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.190 0.158 25448 3170 1 6 . 1 1 116 116 PHE CA C 116 61.077 61.077 61.079 -0.002 25448 3171 1 6 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.824 0.774 25448 3172 1 6 . 1 1 116 116 PHE H H 116 8.168 8.168 8.360 -0.192 25448 3173 1 6 . 1 1 117 117 VAL N N 117 107.857 107.857 115.328 -7.471 25448 3174 1 6 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.109 0.756 25448 3175 1 6 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.035 -0.444 25448 3176 1 6 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.287 -0.714 25448 3177 1 6 . 1 1 117 117 VAL H H 117 7.080 7.080 8.111 -1.031 25448 3178 1 6 . 1 1 118 118 THR N N 118 117.382 117.382 113.723 3.659 25448 3179 1 6 . 1 1 118 118 THR HA H 118 4.046 4.046 3.922 0.124 25448 3180 1 6 . 1 1 118 118 THR CA C 118 66.745 66.745 65.669 1.076 25448 3181 1 6 . 1 1 118 118 THR CB C 118 68.185 68.185 68.338 -0.153 25448 3182 1 6 . 1 1 118 118 THR H H 118 8.465 8.465 8.014 0.451 25448 3183 1 6 . 1 1 119 119 GLN N N 119 121.900 121.900 121.401 0.499 25448 3184 1 6 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.051 -0.166 25448 3185 1 6 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.810 0.192 25448 3186 1 6 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.317 -0.706 25448 3187 1 6 . 1 1 119 119 GLN H H 119 8.074 8.074 7.612 0.462 25448 3188 1 6 . 1 1 120 120 LEU N N 120 117.899 117.899 118.507 -0.608 25448 3189 1 6 . 1 1 120 120 LEU HA H 120 3.835 3.835 4.001 -0.166 25448 3190 1 6 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.528 -0.101 25448 3191 1 6 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.248 0.986 25448 3192 1 6 . 1 1 120 120 LEU H H 120 6.829 6.829 7.465 -0.636 25448 3193 1 6 . 1 1 121 121 ARG N N 121 117.250 117.250 118.696 -1.446 25448 3194 1 6 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.073 -0.153 25448 3195 1 6 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.805 0.238 25448 3196 1 6 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.529 -0.273 25448 3197 1 6 . 1 1 121 121 ARG H H 121 7.677 7.677 7.695 -0.018 25448 3198 1 6 . 1 1 122 122 TYR N N 122 111.508 111.508 119.487 -7.979 25448 3199 1 6 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.102 0.538 25448 3200 1 6 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.044 -1.522 25448 3201 1 6 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.598 1.076 25448 3202 1 6 . 1 1 122 122 TYR H H 122 8.114 8.114 8.389 -0.275 25448 3203 1 6 . 1 1 123 123 GLY N N 123 109.399 109.399 105.961 3.438 25448 3204 1 6 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.103 1.238 25448 3205 1 6 . 1 1 123 123 GLY H H 123 8.032 8.032 7.814 0.218 25448 3206 1 6 . 1 1 124 124 LYS N N 124 117.936 117.936 118.849 -0.913 25448 3207 1 6 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.116 0.236 25448 3208 1 6 . 1 1 124 124 LYS CA C 124 55.200 55.200 58.156 -2.955 25448 3209 1 6 . 1 1 124 124 LYS CB C 124 33.998 33.998 31.971 2.026 25448 3210 1 6 . 1 1 124 124 LYS H H 124 7.402 7.402 7.285 0.117 25448 3211 1 7 . 1 1 3 3 SER N N 3 113.812 113.812 116.357 -2.545 25448 3212 1 7 . 1 1 3 3 SER HA H 3 4.697 4.697 4.801 -0.104 25448 3213 1 7 . 1 1 3 3 SER CA C 3 58.996 58.996 56.926 2.070 25448 3214 1 7 . 1 1 3 3 SER CB C 3 63.800 63.800 64.080 -0.280 25448 3215 1 7 . 1 1 3 3 SER H H 3 7.587 7.587 8.632 -1.045 25448 3216 1 7 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.319 0.094 25448 3217 1 7 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.919 -0.565 25448 3218 1 7 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.242 -0.342 25448 3219 1 7 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.561 -0.004 25448 3220 1 7 . 1 1 5 5 HIS CA C 5 56.230 56.230 54.738 1.492 25448 3221 1 7 . 1 1 5 5 HIS CB C 5 30.500 30.500 31.860 -1.360 25448 3222 1 7 . 1 1 5 5 HIS H H 5 6.984 6.984 7.773 -0.789 25448 3223 1 7 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.255 0.033 25448 3224 1 7 . 1 1 6 6 GLN CA C 6 55.174 55.174 56.599 -1.425 25448 3225 1 7 . 1 1 6 6 GLN CB C 6 30.042 30.042 29.513 0.529 25448 3226 1 7 . 1 1 7 7 GLU N N 7 124.477 124.477 127.070 -2.593 25448 3227 1 7 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.573 -0.084 25448 3228 1 7 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.533 0.578 25448 3229 1 7 . 1 1 7 7 GLU CB C 7 29.912 29.912 30.352 -0.440 25448 3230 1 7 . 1 1 7 7 GLU H H 7 8.353 8.353 8.561 -0.208 25448 3231 1 7 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.532 -0.188 25448 3232 1 7 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.214 0.184 25448 3233 1 7 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.972 -1.572 25448 3234 1 7 . 1 1 9 9 LYS N N 9 122.328 122.328 119.021 3.307 25448 3235 1 7 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.630 0.243 25448 3236 1 7 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.762 0.389 25448 3237 1 7 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.409 -1.270 25448 3238 1 7 . 1 1 9 9 LYS H H 9 9.336 9.336 8.868 0.468 25448 3239 1 7 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.486 -0.563 25448 3240 1 7 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.325 0.209 25448 3241 1 7 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.484 0.145 25448 3242 1 7 . 1 1 11 11 GLY N N 11 112.758 112.758 114.916 -2.158 25448 3243 1 7 . 1 1 11 11 GLY CA C 11 45.182 45.182 45.136 0.046 25448 3244 1 7 . 1 1 11 11 GLY H H 11 9.359 9.359 9.201 0.158 25448 3245 1 7 . 1 1 12 12 ASP N N 12 120.500 120.500 122.923 -2.423 25448 3246 1 7 . 1 1 12 12 ASP HA H 12 4.870 4.870 5.005 -0.135 25448 3247 1 7 . 1 1 12 12 ASP CA C 12 55.211 55.211 54.925 0.286 25448 3248 1 7 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.524 1.422 25448 3249 1 7 . 1 1 12 12 ASP H H 12 8.277 8.277 8.023 0.254 25448 3250 1 7 . 1 1 13 13 LEU N N 13 119.594 119.594 122.061 -2.467 25448 3251 1 7 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.971 0.006 25448 3252 1 7 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.410 -0.421 25448 3253 1 7 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.938 -1.740 25448 3254 1 7 . 1 1 13 13 LEU H H 13 9.103 9.103 9.042 0.061 25448 3255 1 7 . 1 1 14 14 ILE N N 14 121.352 121.352 122.703 -1.351 25448 3256 1 7 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.955 -0.344 25448 3257 1 7 . 1 1 14 14 ILE CA C 14 58.178 58.178 59.768 -1.590 25448 3258 1 7 . 1 1 14 14 ILE CB C 14 39.213 39.213 40.511 -1.298 25448 3259 1 7 . 1 1 14 14 ILE H H 14 9.221 9.221 9.238 -0.017 25448 3260 1 7 . 1 1 15 15 GLU N N 15 129.555 129.555 127.466 2.089 25448 3261 1 7 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.305 -1.087 25448 3262 1 7 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.663 -0.215 25448 3263 1 7 . 1 1 15 15 GLU CB C 15 31.783 31.783 32.316 -0.533 25448 3264 1 7 . 1 1 15 15 GLU H H 15 8.625 8.625 9.074 -0.449 25448 3265 1 7 . 1 1 16 16 ILE N N 16 125.258 125.258 125.055 0.203 25448 3266 1 7 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.535 -0.426 25448 3267 1 7 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.551 0.949 25448 3268 1 7 . 1 1 16 16 ILE CB C 16 40.401 40.401 41.051 -0.650 25448 3269 1 7 . 1 1 16 16 ILE H H 16 8.557 8.557 8.570 -0.013 25448 3270 1 7 . 1 1 17 17 PHE N N 17 127.058 127.058 126.661 0.397 25448 3271 1 7 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.713 -0.211 25448 3272 1 7 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.735 2.204 25448 3273 1 7 . 1 1 17 17 PHE CB C 17 37.496 37.496 37.758 -0.262 25448 3274 1 7 . 1 1 17 17 PHE H H 17 8.500 8.500 9.020 -0.520 25448 3275 1 7 . 1 1 18 18 ARG N N 18 124.569 124.569 123.715 0.854 25448 3276 1 7 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.496 0.154 25448 3277 1 7 . 1 1 18 18 ARG CA C 18 54.596 54.596 54.267 0.329 25448 3278 1 7 . 1 1 18 18 ARG CB C 18 30.206 30.206 32.981 -2.775 25448 3279 1 7 . 1 1 18 18 ARG H H 18 7.686 7.686 7.791 -0.105 25448 3280 1 7 . 1 1 19 19 LEU N N 19 121.049 121.049 125.405 -4.356 25448 3281 1 7 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.096 0.328 25448 3282 1 7 . 1 1 19 19 LEU CA C 19 56.123 56.123 56.185 -0.062 25448 3283 1 7 . 1 1 19 19 LEU CB C 19 40.296 40.296 41.913 -1.617 25448 3284 1 7 . 1 1 19 19 LEU H H 19 8.103 8.103 8.628 -0.525 25448 3285 1 7 . 1 1 20 20 GLY N N 20 115.623 115.623 113.591 2.032 25448 3286 1 7 . 1 1 20 20 GLY CA C 20 45.736 45.736 45.136 0.600 25448 3287 1 7 . 1 1 20 20 GLY H H 20 8.686 8.686 8.864 -0.178 25448 3288 1 7 . 1 1 21 21 TYR N N 21 115.905 115.905 115.713 0.192 25448 3289 1 7 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.797 -0.037 25448 3290 1 7 . 1 1 21 21 TYR CA C 21 56.507 56.507 55.913 0.594 25448 3291 1 7 . 1 1 21 21 TYR CB C 21 38.631 38.631 39.203 -0.572 25448 3292 1 7 . 1 1 21 21 TYR H H 21 7.433 7.433 7.326 0.107 25448 3293 1 7 . 1 1 22 22 GLU N N 22 116.649 116.649 122.961 -6.312 25448 3294 1 7 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.430 0.730 25448 3295 1 7 . 1 1 22 22 GLU CA C 22 56.255 56.255 56.730 -0.475 25448 3296 1 7 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.266 1.901 25448 3297 1 7 . 1 1 22 22 GLU H H 22 8.139 8.139 8.621 -0.482 25448 3298 1 7 . 1 1 23 23 HIS N N 23 122.171 122.171 121.243 0.928 25448 3299 1 7 . 1 1 23 23 HIS HA H 23 5.588 5.588 5.024 0.564 25448 3300 1 7 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.837 -0.676 25448 3301 1 7 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.370 1.000 25448 3302 1 7 . 1 1 23 23 HIS H H 23 8.943 8.943 8.496 0.447 25448 3303 1 7 . 1 1 24 24 TRP N N 24 124.412 124.412 121.540 2.872 25448 3304 1 7 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.416 0.281 25448 3305 1 7 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.219 -0.313 25448 3306 1 7 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.871 -1.715 25448 3307 1 7 . 1 1 24 24 TRP H H 24 6.764 6.764 8.507 -1.743 25448 3308 1 7 . 1 1 25 25 ALA N N 25 121.149 121.149 121.662 -0.513 25448 3309 1 7 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.208 -0.347 25448 3310 1 7 . 1 1 25 25 ALA CA C 25 50.352 50.352 50.793 -0.441 25448 3311 1 7 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.319 -0.366 25448 3312 1 7 . 1 1 25 25 ALA H H 25 9.336 9.336 9.088 0.248 25448 3313 1 7 . 1 1 26 26 LEU N N 26 122.472 122.472 123.336 -0.864 25448 3314 1 7 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.363 -0.103 25448 3315 1 7 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.658 0.983 25448 3316 1 7 . 1 1 26 26 LEU CB C 26 45.421 45.421 44.094 1.327 25448 3317 1 7 . 1 1 26 26 LEU H H 26 8.835 8.835 8.970 -0.135 25448 3318 1 7 . 1 1 27 27 TYR N N 27 128.215 128.215 128.864 -0.649 25448 3319 1 7 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.697 0.055 25448 3320 1 7 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.513 1.289 25448 3321 1 7 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.982 -1.312 25448 3322 1 7 . 1 1 27 27 TYR H H 27 9.750 9.750 8.894 0.856 25448 3323 1 7 . 1 1 28 28 ILE N N 28 119.796 119.796 121.739 -1.943 25448 3324 1 7 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.541 0.032 25448 3325 1 7 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.279 0.539 25448 3326 1 7 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.162 -0.262 25448 3327 1 7 . 1 1 28 28 ILE H H 28 8.196 8.196 8.043 0.153 25448 3328 1 7 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.420 -0.421 25448 3329 1 7 . 1 1 29 29 GLY H H 29 6.584 6.584 6.775 -0.191 25448 3330 1 7 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.345 0.077 25448 3331 1 7 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.124 0.515 25448 3332 1 7 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.340 -0.087 25448 3333 1 7 . 1 1 30 30 ASP H H 30 6.837 6.837 8.958 -2.121 25448 3334 1 7 . 1 1 31 31 GLY N N 31 124.953 124.953 102.431 22.522 25448 3335 1 7 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.118 0.420 25448 3336 1 7 . 1 1 31 31 GLY H H 31 8.120 8.120 7.868 0.252 25448 3337 1 7 . 1 1 32 32 TYR N N 32 120.196 120.196 120.602 -0.406 25448 3338 1 7 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.122 -0.192 25448 3339 1 7 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.089 0.699 25448 3340 1 7 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.791 1.204 25448 3341 1 7 . 1 1 32 32 TYR H H 32 7.843 7.843 7.701 0.142 25448 3342 1 7 . 1 1 33 33 VAL N N 33 109.892 109.892 114.911 -5.019 25448 3343 1 7 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.081 0.385 25448 3344 1 7 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.674 -2.214 25448 3345 1 7 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.560 -0.403 25448 3346 1 7 . 1 1 33 33 VAL H H 33 9.242 9.242 9.325 -0.083 25448 3347 1 7 . 1 1 34 34 ILE N N 34 119.424 119.424 122.332 -2.908 25448 3348 1 7 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.305 0.250 25448 3349 1 7 . 1 1 34 34 ILE CA C 34 60.331 60.331 60.039 0.292 25448 3350 1 7 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.412 0.520 25448 3351 1 7 . 1 1 34 34 ILE H H 34 9.084 9.084 9.019 0.065 25448 3352 1 7 . 1 1 35 35 HIS N N 35 123.118 123.118 121.436 1.682 25448 3353 1 7 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.481 -0.323 25448 3354 1 7 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.263 -0.045 25448 3355 1 7 . 1 1 35 35 HIS CB C 35 35.000 35.000 33.214 1.786 25448 3356 1 7 . 1 1 35 35 HIS H H 35 9.110 9.110 9.286 -0.176 25448 3357 1 7 . 1 1 36 36 LEU N N 36 123.704 123.704 121.530 2.174 25448 3358 1 7 . 1 1 36 36 LEU HA H 36 4.084 4.084 5.067 -0.983 25448 3359 1 7 . 1 1 36 36 LEU CA C 36 53.682 53.682 53.143 0.539 25448 3360 1 7 . 1 1 36 36 LEU CB C 36 41.631 41.631 45.618 -3.987 25448 3361 1 7 . 1 1 36 36 LEU H H 36 8.991 8.991 8.471 0.520 25448 3362 1 7 . 1 1 37 37 ALA N N 37 129.765 129.765 129.302 0.463 25448 3363 1 7 . 1 1 37 37 ALA HA H 37 4.327 4.327 5.160 -0.833 25448 3364 1 7 . 1 1 37 37 ALA CA C 37 49.698 49.698 48.827 0.871 25448 3365 1 7 . 1 1 37 37 ALA CB C 37 19.428 19.428 19.362 0.066 25448 3366 1 7 . 1 1 37 37 ALA H H 37 8.050 8.050 9.082 -1.032 25448 3367 1 7 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.604 -0.600 25448 3368 1 7 . 1 1 38 38 PRO CA C 38 60.800 60.800 62.003 -1.203 25448 3369 1 7 . 1 1 38 38 PRO CB C 38 30.528 30.528 30.948 -0.420 25448 3370 1 7 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.248 0.126 25448 3371 1 7 . 1 1 39 39 PRO CA C 39 62.900 62.900 64.236 -1.336 25448 3372 1 7 . 1 1 39 39 PRO CB C 39 32.000 32.000 31.427 0.573 25448 3373 1 7 . 1 1 40 40 SER N N 40 114.906 114.906 109.629 5.277 25448 3374 1 7 . 1 1 40 40 SER HA H 40 4.326 4.326 4.079 0.247 25448 3375 1 7 . 1 1 40 40 SER CA C 40 58.700 58.700 60.264 -1.564 25448 3376 1 7 . 1 1 40 40 SER CB C 40 64.004 64.004 62.469 1.535 25448 3377 1 7 . 1 1 40 40 SER H H 40 8.184 8.184 7.754 0.430 25448 3378 1 7 . 1 1 41 41 GLU N N 41 121.221 121.221 119.316 1.905 25448 3379 1 7 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.419 -0.158 25448 3380 1 7 . 1 1 41 41 GLU CA C 41 56.424 56.424 55.743 0.681 25448 3381 1 7 . 1 1 41 41 GLU CB C 41 30.514 30.514 32.104 -1.590 25448 3382 1 7 . 1 1 41 41 GLU H H 41 8.401 8.401 7.077 1.324 25448 3383 1 7 . 1 1 42 42 TYR N N 42 121.900 121.900 120.778 1.122 25448 3384 1 7 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.699 0.081 25448 3385 1 7 . 1 1 42 42 TYR CA C 42 55.700 55.700 55.372 0.328 25448 3386 1 7 . 1 1 42 42 TYR CB C 42 38.400 38.400 40.209 -1.809 25448 3387 1 7 . 1 1 42 42 TYR H H 42 8.117 8.117 8.375 -0.258 25448 3388 1 7 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.626 -0.223 25448 3389 1 7 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.632 0.848 25448 3390 1 7 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.924 -1.124 25448 3391 1 7 . 1 1 44 44 GLY N N 44 109.030 109.030 109.339 -0.309 25448 3392 1 7 . 1 1 44 44 GLY CA C 44 45.244 45.244 45.065 0.179 25448 3393 1 7 . 1 1 44 44 GLY H H 44 8.001 8.001 8.822 -0.821 25448 3394 1 7 . 1 1 45 45 ALA N N 45 123.500 123.500 123.597 -0.097 25448 3395 1 7 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.306 0.006 25448 3396 1 7 . 1 1 45 45 ALA CA C 45 52.853 52.853 52.559 0.294 25448 3397 1 7 . 1 1 45 45 ALA CB C 45 19.322 19.322 18.825 0.497 25448 3398 1 7 . 1 1 45 45 ALA H H 45 8.082 8.082 8.374 -0.292 25448 3399 1 7 . 1 1 46 46 GLY N N 46 108.151 108.151 107.071 1.080 25448 3400 1 7 . 1 1 46 46 GLY CA C 46 45.460 45.460 45.547 -0.087 25448 3401 1 7 . 1 1 46 46 GLY H H 46 8.408 8.408 7.781 0.627 25448 3402 1 7 . 1 1 48 48 SER N N 48 116.904 116.904 117.794 -0.890 25448 3403 1 7 . 1 1 48 48 SER HA H 48 4.700 4.700 4.252 0.448 25448 3404 1 7 . 1 1 48 48 SER H H 48 8.044 8.044 8.345 -0.301 25448 3405 1 7 . 1 1 49 49 SER HA H 49 4.456 4.456 4.232 0.224 25448 3406 1 7 . 1 1 49 49 SER CA C 49 58.713 58.713 58.001 0.712 25448 3407 1 7 . 1 1 49 49 SER CB C 49 64.000 64.000 64.165 -0.164 25448 3408 1 7 . 1 1 50 50 VAL N N 50 120.352 120.352 116.710 3.642 25448 3409 1 7 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.769 0.264 25448 3410 1 7 . 1 1 50 50 VAL CA C 50 62.816 62.816 63.593 -0.776 25448 3411 1 7 . 1 1 50 50 VAL CB C 50 32.416 32.416 29.537 2.879 25448 3412 1 7 . 1 1 50 50 VAL H H 50 7.890 7.890 8.093 -0.203 25448 3413 1 7 . 1 1 51 51 PHE N N 51 121.600 121.600 122.477 -0.877 25448 3414 1 7 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.534 0.042 25448 3415 1 7 . 1 1 51 51 PHE CA C 51 58.198 58.198 57.575 0.623 25448 3416 1 7 . 1 1 51 51 PHE CB C 51 39.470 39.470 37.376 2.094 25448 3417 1 7 . 1 1 51 51 PHE H H 51 7.989 7.989 7.375 0.614 25448 3418 1 7 . 1 1 52 52 SER N N 52 116.521 116.521 116.926 -0.405 25448 3419 1 7 . 1 1 52 52 SER HA H 52 4.429 4.429 3.983 0.446 25448 3420 1 7 . 1 1 52 52 SER C C 52 174.445 174.445 175.719 -1.274 25448 3421 1 7 . 1 1 52 52 SER CA C 52 58.365 58.365 60.549 -2.184 25448 3422 1 7 . 1 1 52 52 SER CB C 52 64.018 64.018 62.002 2.016 25448 3423 1 7 . 1 1 52 52 SER H H 52 8.018 8.018 9.150 -1.132 25448 3424 1 7 . 1 1 53 53 VAL N N 53 120.571 120.571 117.935 2.636 25448 3425 1 7 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.022 0.081 25448 3426 1 7 . 1 1 53 53 VAL CA C 53 62.979 62.979 64.855 -1.875 25448 3427 1 7 . 1 1 53 53 VAL CB C 53 32.416 32.416 31.757 0.659 25448 3428 1 7 . 1 1 53 53 VAL H H 53 7.959 7.959 8.057 -0.098 25448 3429 1 7 . 1 1 54 54 LEU N N 54 123.703 123.703 118.882 4.821 25448 3430 1 7 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.311 0.055 25448 3431 1 7 . 1 1 54 54 LEU CA C 54 55.500 55.500 56.173 -0.673 25448 3432 1 7 . 1 1 54 54 LEU CB C 54 42.293 42.293 41.590 0.703 25448 3433 1 7 . 1 1 54 54 LEU H H 54 8.095 8.095 8.120 -0.025 25448 3434 1 7 . 1 1 55 55 SER N N 55 115.309 115.309 115.370 -0.061 25448 3435 1 7 . 1 1 55 55 SER HA H 55 4.399 4.399 4.431 -0.032 25448 3436 1 7 . 1 1 55 55 SER CA C 55 58.365 58.365 58.480 -0.115 25448 3437 1 7 . 1 1 55 55 SER CB C 55 64.110 64.110 64.359 -0.248 25448 3438 1 7 . 1 1 55 55 SER H H 55 8.063 8.063 8.283 -0.220 25448 3439 1 7 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.456 0.462 25448 3440 1 7 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.753 -0.602 25448 3441 1 7 . 1 1 56 56 ASN CB C 56 39.339 39.339 38.953 0.386 25448 3442 1 7 . 1 1 57 57 SER N N 57 115.102 115.102 113.778 1.324 25448 3443 1 7 . 1 1 57 57 SER HA H 57 4.694 4.694 4.549 0.145 25448 3444 1 7 . 1 1 57 57 SER CA C 57 58.307 58.307 57.601 0.706 25448 3445 1 7 . 1 1 57 57 SER CB C 57 64.838 64.838 66.243 -1.405 25448 3446 1 7 . 1 1 57 57 SER H H 57 8.065 8.065 7.893 0.172 25448 3447 1 7 . 1 1 58 58 ALA N N 58 125.610 125.610 122.310 3.300 25448 3448 1 7 . 1 1 58 58 ALA HA H 58 4.494 4.494 5.105 -0.611 25448 3449 1 7 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.397 0.884 25448 3450 1 7 . 1 1 58 58 ALA CB C 58 22.479 22.479 21.415 1.064 25448 3451 1 7 . 1 1 58 58 ALA H H 58 8.548 8.548 8.313 0.235 25448 3452 1 7 . 1 1 59 59 GLU N N 59 120.190 120.190 120.993 -0.803 25448 3453 1 7 . 1 1 59 59 GLU HA H 59 5.033 5.033 4.999 0.034 25448 3454 1 7 . 1 1 59 59 GLU CA C 59 54.004 54.004 55.138 -1.134 25448 3455 1 7 . 1 1 59 59 GLU CB C 59 34.292 34.292 34.677 -0.385 25448 3456 1 7 . 1 1 59 59 GLU H H 59 8.116 8.116 8.212 -0.096 25448 3457 1 7 . 1 1 60 60 VAL N N 60 125.380 125.380 126.014 -0.634 25448 3458 1 7 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.175 0.163 25448 3459 1 7 . 1 1 60 60 VAL CA C 60 62.784 62.784 63.057 -0.273 25448 3460 1 7 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.308 -0.552 25448 3461 1 7 . 1 1 60 60 VAL H H 60 8.531 8.531 8.922 -0.391 25448 3462 1 7 . 1 1 61 61 LYS N N 61 129.548 129.548 126.194 3.354 25448 3463 1 7 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.672 0.228 25448 3464 1 7 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.191 1.393 25448 3465 1 7 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.114 0.920 25448 3466 1 7 . 1 1 61 61 LYS H H 61 9.068 9.068 8.657 0.411 25448 3467 1 7 . 1 1 62 62 ARG N N 62 123.653 123.653 122.663 0.990 25448 3468 1 7 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.410 0.292 25448 3469 1 7 . 1 1 62 62 ARG CA C 62 54.386 54.386 54.928 -0.541 25448 3470 1 7 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.456 -0.498 25448 3471 1 7 . 1 1 62 62 ARG H H 62 8.749 8.749 8.584 0.165 25448 3472 1 7 . 1 1 63 63 GLU N N 63 125.033 125.033 123.005 2.028 25448 3473 1 7 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.769 0.229 25448 3474 1 7 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.991 -0.113 25448 3475 1 7 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.065 2.918 25448 3476 1 7 . 1 1 63 63 GLU H H 63 8.973 8.973 9.108 -0.135 25448 3477 1 7 . 1 1 64 64 ARG N N 64 121.855 121.855 120.461 1.394 25448 3478 1 7 . 1 1 64 64 ARG HA H 64 3.900 3.900 4.000 -0.100 25448 3479 1 7 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.857 0.043 25448 3480 1 7 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.401 -0.856 25448 3481 1 7 . 1 1 64 64 ARG H H 64 9.273 9.273 8.694 0.579 25448 3482 1 7 . 1 1 65 65 LEU N N 65 124.611 124.611 126.260 -1.649 25448 3483 1 7 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.858 -0.288 25448 3484 1 7 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.997 0.013 25448 3485 1 7 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.625 0.098 25448 3486 1 7 . 1 1 65 65 LEU H H 65 8.823 8.823 8.689 0.134 25448 3487 1 7 . 1 1 66 66 GLU N N 66 115.188 115.188 117.759 -2.571 25448 3488 1 7 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.783 0.052 25448 3489 1 7 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.596 0.058 25448 3490 1 7 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.756 0.404 25448 3491 1 7 . 1 1 66 66 GLU H H 66 9.360 9.360 8.780 0.580 25448 3492 1 7 . 1 1 67 67 ASP N N 67 118.590 118.590 118.652 -0.062 25448 3493 1 7 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.391 0.069 25448 3494 1 7 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.878 -0.311 25448 3495 1 7 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.755 -0.085 25448 3496 1 7 . 1 1 67 67 ASP H H 67 6.806 6.806 8.079 -1.273 25448 3497 1 7 . 1 1 68 68 VAL N N 68 119.985 119.985 119.493 0.492 25448 3498 1 7 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.633 -0.017 25448 3499 1 7 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.905 -0.835 25448 3500 1 7 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.572 0.595 25448 3501 1 7 . 1 1 68 68 VAL H H 68 7.414 7.414 8.193 -0.779 25448 3502 1 7 . 1 1 69 69 VAL N N 69 116.972 116.972 112.562 4.410 25448 3503 1 7 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.956 -0.454 25448 3504 1 7 . 1 1 69 69 VAL CA C 69 65.337 65.337 61.954 3.383 25448 3505 1 7 . 1 1 69 69 VAL CB C 69 32.036 32.036 29.994 2.042 25448 3506 1 7 . 1 1 69 69 VAL H H 69 8.261 8.261 8.105 0.156 25448 3507 1 7 . 1 1 70 70 GLY N N 70 107.311 107.311 109.302 -1.991 25448 3508 1 7 . 1 1 70 70 GLY CA C 70 47.610 47.610 45.911 1.699 25448 3509 1 7 . 1 1 70 70 GLY H H 70 7.395 7.395 7.370 0.025 25448 3510 1 7 . 1 1 71 71 GLY N N 71 110.582 110.582 113.564 -2.982 25448 3511 1 7 . 1 1 71 71 GLY CA C 71 45.176 45.176 45.408 -0.232 25448 3512 1 7 . 1 1 71 71 GLY H H 71 8.831 8.831 8.829 0.002 25448 3513 1 7 . 1 1 72 72 CYS N N 72 118.742 118.742 117.065 1.677 25448 3514 1 7 . 1 1 72 72 CYS HA H 72 4.498 4.498 5.237 -0.739 25448 3515 1 7 . 1 1 72 72 CYS CA C 72 60.154 60.154 57.776 2.377 25448 3516 1 7 . 1 1 72 72 CYS CB C 72 29.295 29.295 31.140 -1.845 25448 3517 1 7 . 1 1 72 72 CYS H H 72 7.613 7.613 7.772 -0.159 25448 3518 1 7 . 1 1 73 73 CYS N N 73 120.205 120.205 120.745 -0.540 25448 3519 1 7 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.770 -0.239 25448 3520 1 7 . 1 1 73 73 CYS CA C 73 59.792 59.792 57.889 1.903 25448 3521 1 7 . 1 1 73 73 CYS CB C 73 28.046 28.046 30.176 -2.130 25448 3522 1 7 . 1 1 73 73 CYS H H 73 9.007 9.007 8.711 0.296 25448 3523 1 7 . 1 1 74 74 TYR N N 74 119.008 119.008 118.202 0.806 25448 3524 1 7 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.378 0.219 25448 3525 1 7 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.086 -0.496 25448 3526 1 7 . 1 1 74 74 TYR CB C 74 41.876 41.876 41.072 0.804 25448 3527 1 7 . 1 1 74 74 TYR H H 74 8.141 8.141 7.832 0.309 25448 3528 1 7 . 1 1 75 75 ARG N N 75 115.457 115.457 118.960 -3.503 25448 3529 1 7 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.812 -0.173 25448 3530 1 7 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.719 -0.724 25448 3531 1 7 . 1 1 75 75 ARG CB C 75 33.235 33.235 35.420 -2.186 25448 3532 1 7 . 1 1 75 75 ARG H H 75 9.008 9.008 8.956 0.052 25448 3533 1 7 . 1 1 76 76 VAL N N 76 123.071 123.071 121.383 1.688 25448 3534 1 7 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.796 -0.233 25448 3535 1 7 . 1 1 76 76 VAL CA C 76 62.968 62.968 61.043 1.925 25448 3536 1 7 . 1 1 76 76 VAL CB C 76 31.965 31.965 33.154 -1.189 25448 3537 1 7 . 1 1 76 76 VAL H H 76 8.511 8.511 9.319 -0.808 25448 3538 1 7 . 1 1 77 77 ASN N N 77 126.125 126.125 125.501 0.624 25448 3539 1 7 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.856 -0.001 25448 3540 1 7 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.771 -0.699 25448 3541 1 7 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.181 -0.541 25448 3542 1 7 . 1 1 77 77 ASN H H 77 8.824 8.824 9.175 -0.351 25448 3543 1 7 . 1 1 78 78 ASN N N 78 124.269 124.269 122.760 1.509 25448 3544 1 7 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.760 0.586 25448 3545 1 7 . 1 1 78 78 ASN CA C 78 52.124 52.124 52.756 -0.632 25448 3546 1 7 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.690 0.258 25448 3547 1 7 . 1 1 78 78 ASN H H 78 8.685 8.685 8.791 -0.106 25448 3548 1 7 . 1 1 79 79 SER N N 79 117.959 117.959 116.434 1.525 25448 3549 1 7 . 1 1 79 79 SER HA H 79 4.112 4.112 3.970 0.142 25448 3550 1 7 . 1 1 79 79 SER CA C 79 62.669 62.669 60.399 2.270 25448 3551 1 7 . 1 1 79 79 SER CB C 79 63.727 63.727 63.125 0.602 25448 3552 1 7 . 1 1 79 79 SER H H 79 8.109 8.109 7.944 0.165 25448 3553 1 7 . 1 1 80 80 LEU N N 80 121.272 121.272 121.799 -0.527 25448 3554 1 7 . 1 1 80 80 LEU HA H 80 4.470 4.470 3.731 0.739 25448 3555 1 7 . 1 1 80 80 LEU CA C 80 55.542 55.542 56.313 -0.771 25448 3556 1 7 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.065 0.435 25448 3557 1 7 . 1 1 80 80 LEU H H 80 7.947 7.947 7.727 0.220 25448 3558 1 7 . 1 1 81 81 ASP N N 81 121.692 121.692 119.959 1.733 25448 3559 1 7 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.276 0.814 25448 3560 1 7 . 1 1 81 81 ASP CA C 81 56.604 56.604 57.020 -0.416 25448 3561 1 7 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.196 -0.896 25448 3562 1 7 . 1 1 81 81 ASP H H 81 8.294 8.294 7.879 0.415 25448 3563 1 7 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.636 -0.181 25448 3564 1 7 . 1 1 82 82 HIS CA C 82 57.900 57.900 55.690 2.210 25448 3565 1 7 . 1 1 82 82 HIS CB C 82 29.766 29.766 29.431 0.335 25448 3566 1 7 . 1 1 83 83 GLU N N 83 118.940 118.940 119.160 -0.220 25448 3567 1 7 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.129 0.024 25448 3568 1 7 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.130 -0.260 25448 3569 1 7 . 1 1 83 83 GLU CB C 83 32.422 32.422 30.670 1.752 25448 3570 1 7 . 1 1 83 83 GLU H H 83 7.476 7.476 7.710 -0.234 25448 3571 1 7 . 1 1 84 84 TYR N N 84 119.225 119.225 118.127 1.098 25448 3572 1 7 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.751 0.015 25448 3573 1 7 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.087 -1.164 25448 3574 1 7 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.793 1.431 25448 3575 1 7 . 1 1 84 84 TYR H H 84 8.207 8.207 7.962 0.245 25448 3576 1 7 . 1 1 85 85 GLN N N 85 119.667 119.667 119.952 -0.285 25448 3577 1 7 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.527 0.271 25448 3578 1 7 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.663 -1.460 25448 3579 1 7 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.335 1.031 25448 3580 1 7 . 1 1 85 85 GLN H H 85 8.264 8.264 8.744 -0.480 25448 3581 1 7 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.304 0.118 25448 3582 1 7 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.590 -0.979 25448 3583 1 7 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.172 -0.322 25448 3584 1 7 . 1 1 87 87 ARG N N 87 121.150 121.150 123.081 -1.931 25448 3585 1 7 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.654 -0.249 25448 3586 1 7 . 1 1 87 87 ARG CA C 87 55.600 55.600 53.026 2.574 25448 3587 1 7 . 1 1 87 87 ARG CB C 87 29.301 29.301 30.267 -0.966 25448 3588 1 7 . 1 1 87 87 ARG H H 87 8.254 8.254 8.307 -0.053 25448 3589 1 7 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.667 -0.220 25448 3590 1 7 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.619 0.360 25448 3591 1 7 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.602 -0.332 25448 3592 1 7 . 1 1 89 89 VAL N N 89 125.682 125.682 125.898 -0.216 25448 3593 1 7 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.594 -0.093 25448 3594 1 7 . 1 1 89 89 VAL CA C 89 67.411 67.411 66.246 1.165 25448 3595 1 7 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.002 -0.367 25448 3596 1 7 . 1 1 89 89 VAL H H 89 8.678 8.678 8.672 0.006 25448 3597 1 7 . 1 1 90 90 GLU N N 90 117.092 117.092 119.773 -2.681 25448 3598 1 7 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.092 -0.065 25448 3599 1 7 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.368 0.647 25448 3600 1 7 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.789 -0.156 25448 3601 1 7 . 1 1 90 90 GLU H H 90 9.318 9.318 8.862 0.456 25448 3602 1 7 . 1 1 91 91 VAL N N 91 119.967 119.967 120.482 -0.515 25448 3603 1 7 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.794 0.070 25448 3604 1 7 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.886 -0.886 25448 3605 1 7 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.505 0.396 25448 3606 1 7 . 1 1 91 91 VAL H H 91 7.153 7.153 7.716 -0.563 25448 3607 1 7 . 1 1 92 92 ILE N N 92 122.669 122.669 121.710 0.959 25448 3608 1 7 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.888 -0.578 25448 3609 1 7 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.474 1.237 25448 3610 1 7 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.910 0.653 25448 3611 1 7 . 1 1 92 92 ILE H H 92 8.004 8.004 7.317 0.687 25448 3612 1 7 . 1 1 93 93 ILE N N 93 115.049 115.049 120.485 -5.436 25448 3613 1 7 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.590 -0.058 25448 3614 1 7 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.826 -0.742 25448 3615 1 7 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.584 -0.422 25448 3616 1 7 . 1 1 93 93 ILE H H 93 8.305 8.305 8.422 -0.117 25448 3617 1 7 . 1 1 94 94 SER N N 94 115.196 115.196 115.686 -0.490 25448 3618 1 7 . 1 1 94 94 SER HA H 94 4.101 4.101 4.080 0.021 25448 3619 1 7 . 1 1 94 94 SER CA C 94 62.300 62.300 62.562 -0.262 25448 3620 1 7 . 1 1 94 94 SER H H 94 7.927 7.927 8.379 -0.452 25448 3621 1 7 . 1 1 95 95 SER N N 95 117.891 117.891 118.139 -0.248 25448 3622 1 7 . 1 1 95 95 SER HA H 95 4.209 4.209 4.161 0.048 25448 3623 1 7 . 1 1 95 95 SER CA C 95 62.100 62.100 61.084 1.016 25448 3624 1 7 . 1 1 95 95 SER CB C 95 62.714 62.714 62.876 -0.162 25448 3625 1 7 . 1 1 95 95 SER H H 95 8.174 8.174 8.146 0.028 25448 3626 1 7 . 1 1 96 96 ALA N N 96 123.830 123.830 124.372 -0.542 25448 3627 1 7 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.094 -0.203 25448 3628 1 7 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.497 -0.221 25448 3629 1 7 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.305 1.643 25448 3630 1 7 . 1 1 96 96 ALA H H 96 8.110 8.110 8.318 -0.208 25448 3631 1 7 . 1 1 97 97 LYS N N 97 115.893 115.893 116.759 -0.866 25448 3632 1 7 . 1 1 97 97 LYS HA H 97 3.808 3.808 4.017 -0.209 25448 3633 1 7 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.118 1.231 25448 3634 1 7 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.400 0.298 25448 3635 1 7 . 1 1 97 97 LYS H H 97 8.218 8.218 8.244 -0.026 25448 3636 1 7 . 1 1 98 98 GLU N N 98 117.006 117.006 117.672 -0.666 25448 3637 1 7 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.114 0.026 25448 3638 1 7 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.243 -0.021 25448 3639 1 7 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.958 -0.182 25448 3640 1 7 . 1 1 98 98 GLU H H 98 7.474 7.474 7.810 -0.336 25448 3641 1 7 . 1 1 99 99 MET N N 99 114.572 114.572 117.463 -2.891 25448 3642 1 7 . 1 1 99 99 MET HA H 99 4.533 4.533 4.441 0.092 25448 3643 1 7 . 1 1 99 99 MET CA C 99 55.292 55.292 55.983 -0.692 25448 3644 1 7 . 1 1 99 99 MET CB C 99 33.777 33.777 33.374 0.403 25448 3645 1 7 . 1 1 99 99 MET H H 99 7.378 7.378 8.335 -0.957 25448 3646 1 7 . 1 1 100 100 VAL N N 100 119.104 119.104 118.790 0.314 25448 3647 1 7 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.632 -0.366 25448 3648 1 7 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.399 0.648 25448 3649 1 7 . 1 1 100 100 VAL CB C 100 31.325 31.325 32.013 -0.688 25448 3650 1 7 . 1 1 100 100 VAL H H 100 7.056 7.056 8.245 -1.189 25448 3651 1 7 . 1 1 101 101 GLY N N 101 116.779 116.779 115.380 1.399 25448 3652 1 7 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.798 -0.147 25448 3653 1 7 . 1 1 101 101 GLY H H 101 8.979 8.979 8.683 0.296 25448 3654 1 7 . 1 1 102 102 GLN N N 102 119.990 119.990 120.628 -0.638 25448 3655 1 7 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.367 -0.170 25448 3656 1 7 . 1 1 102 102 GLN C C 102 174.994 174.994 175.434 -0.440 25448 3657 1 7 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.418 1.245 25448 3658 1 7 . 1 1 102 102 GLN CB C 102 28.936 28.936 29.912 -0.976 25448 3659 1 7 . 1 1 102 102 GLN H H 102 8.103 8.103 7.803 0.300 25448 3660 1 7 . 1 1 103 103 LYS N N 103 120.261 120.261 122.851 -2.590 25448 3661 1 7 . 1 1 103 103 LYS HA H 103 5.266 5.266 4.967 0.299 25448 3662 1 7 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.868 -1.226 25448 3663 1 7 . 1 1 103 103 LYS CB C 103 34.196 34.196 34.300 -0.104 25448 3664 1 7 . 1 1 103 103 LYS H H 103 8.310 8.310 8.428 -0.118 25448 3665 1 7 . 1 1 104 104 MET N N 104 119.868 119.868 119.520 0.348 25448 3666 1 7 . 1 1 104 104 MET HA H 104 4.692 4.692 4.810 -0.118 25448 3667 1 7 . 1 1 104 104 MET CA C 104 54.276 54.276 54.443 -0.167 25448 3668 1 7 . 1 1 104 104 MET CB C 104 36.831 36.831 37.360 -0.529 25448 3669 1 7 . 1 1 104 104 MET H H 104 8.556 8.556 8.842 -0.286 25448 3670 1 7 . 1 1 105 105 LYS N N 105 120.932 120.932 120.422 0.510 25448 3671 1 7 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.232 0.134 25448 3672 1 7 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.907 0.193 25448 3673 1 7 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.882 0.008 25448 3674 1 7 . 1 1 105 105 LYS H H 105 8.257 8.257 8.445 -0.188 25448 3675 1 7 . 1 1 106 106 TYR N N 106 122.600 122.600 117.379 5.221 25448 3676 1 7 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.822 -0.404 25448 3677 1 7 . 1 1 106 106 TYR CA C 106 56.726 56.726 56.818 -0.092 25448 3678 1 7 . 1 1 106 106 TYR CB C 106 38.561 38.561 38.594 -0.033 25448 3679 1 7 . 1 1 106 106 TYR H H 106 8.378 8.378 7.841 0.537 25448 3680 1 7 . 1 1 107 107 SER N N 107 116.904 116.904 119.205 -2.301 25448 3681 1 7 . 1 1 107 107 SER CA C 107 56.717 56.717 58.475 -1.758 25448 3682 1 7 . 1 1 107 107 SER CB C 107 63.983 63.983 63.585 0.398 25448 3683 1 7 . 1 1 107 107 SER H H 107 8.044 8.044 7.861 0.183 25448 3684 1 7 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.867 0.146 25448 3685 1 7 . 1 1 109 109 VAL CA C 109 64.307 64.307 64.022 0.285 25448 3686 1 7 . 1 1 109 109 VAL CB C 109 32.000 32.000 32.178 -0.178 25448 3687 1 7 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.537 -0.165 25448 3688 1 7 . 1 1 111 111 ARG CA C 111 57.100 57.100 56.464 0.636 25448 3689 1 7 . 1 1 111 111 ARG CB C 111 28.110 28.110 30.512 -2.402 25448 3690 1 7 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.300 0.188 25448 3691 1 7 . 1 1 113 113 CYS CA C 113 61.609 61.609 63.904 -2.295 25448 3692 1 7 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.889 -1.089 25448 3693 1 7 . 1 1 114 114 GLU N N 114 125.287 125.287 119.526 5.761 25448 3694 1 7 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.422 0.017 25448 3695 1 7 . 1 1 114 114 GLU CA C 114 58.669 58.669 58.664 0.005 25448 3696 1 7 . 1 1 114 114 GLU CB C 114 30.058 30.058 27.607 2.451 25448 3697 1 7 . 1 1 114 114 GLU H H 114 7.720 7.720 8.688 -0.968 25448 3698 1 7 . 1 1 115 115 HIS N N 115 119.008 119.008 119.760 -0.752 25448 3699 1 7 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.293 0.104 25448 3700 1 7 . 1 1 115 115 HIS CA C 115 58.460 58.460 59.359 -0.899 25448 3701 1 7 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.675 0.386 25448 3702 1 7 . 1 1 115 115 HIS H H 115 8.051 8.051 7.531 0.520 25448 3703 1 7 . 1 1 116 116 PHE N N 116 117.059 117.059 122.055 -4.996 25448 3704 1 7 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.086 0.262 25448 3705 1 7 . 1 1 116 116 PHE CA C 116 61.077 61.077 61.361 -0.284 25448 3706 1 7 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.875 0.723 25448 3707 1 7 . 1 1 116 116 PHE H H 116 8.168 8.168 8.624 -0.457 25448 3708 1 7 . 1 1 117 117 VAL N N 117 107.857 107.857 114.301 -6.444 25448 3709 1 7 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.045 0.820 25448 3710 1 7 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.421 -0.830 25448 3711 1 7 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.224 -0.651 25448 3712 1 7 . 1 1 117 117 VAL H H 117 7.080 7.080 8.180 -1.100 25448 3713 1 7 . 1 1 118 118 THR N N 118 117.382 117.382 117.474 -0.092 25448 3714 1 7 . 1 1 118 118 THR HA H 118 4.046 4.046 3.885 0.161 25448 3715 1 7 . 1 1 118 118 THR CA C 118 66.745 66.745 66.813 -0.068 25448 3716 1 7 . 1 1 118 118 THR CB C 118 68.185 68.185 68.633 -0.448 25448 3717 1 7 . 1 1 118 118 THR H H 118 8.465 8.465 7.810 0.655 25448 3718 1 7 . 1 1 119 119 GLN N N 119 121.900 121.900 120.607 1.293 25448 3719 1 7 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.126 -0.241 25448 3720 1 7 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.758 0.244 25448 3721 1 7 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.243 -0.632 25448 3722 1 7 . 1 1 119 119 GLN H H 119 8.074 8.074 8.318 -0.244 25448 3723 1 7 . 1 1 120 120 LEU N N 120 117.899 117.899 119.123 -1.224 25448 3724 1 7 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.977 -0.142 25448 3725 1 7 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.769 -0.342 25448 3726 1 7 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.258 0.976 25448 3727 1 7 . 1 1 120 120 LEU H H 120 6.829 6.829 7.612 -0.783 25448 3728 1 7 . 1 1 121 121 ARG N N 121 117.250 117.250 118.101 -0.851 25448 3729 1 7 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.136 -0.216 25448 3730 1 7 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.656 0.387 25448 3731 1 7 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.718 -0.462 25448 3732 1 7 . 1 1 121 121 ARG H H 121 7.677 7.677 7.603 0.074 25448 3733 1 7 . 1 1 122 122 TYR N N 122 111.508 111.508 120.965 -9.457 25448 3734 1 7 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.116 0.524 25448 3735 1 7 . 1 1 122 122 TYR CA C 122 58.522 58.522 59.132 -0.610 25448 3736 1 7 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.322 1.352 25448 3737 1 7 . 1 1 122 122 TYR H H 122 8.114 8.114 8.770 -0.656 25448 3738 1 7 . 1 1 123 123 GLY N N 123 109.399 109.399 105.508 3.891 25448 3739 1 7 . 1 1 123 123 GLY CA C 123 45.341 45.341 45.388 -0.047 25448 3740 1 7 . 1 1 123 123 GLY H H 123 8.032 8.032 8.040 -0.008 25448 3741 1 7 . 1 1 124 124 LYS N N 124 117.936 117.936 120.836 -2.900 25448 3742 1 7 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.106 0.246 25448 3743 1 7 . 1 1 124 124 LYS CA C 124 55.200 55.200 57.328 -2.128 25448 3744 1 7 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.591 1.407 25448 3745 1 7 . 1 1 124 124 LYS H H 124 7.402 7.402 7.603 -0.201 25448 3746 1 8 . 1 1 3 3 SER N N 3 113.812 113.812 115.048 -1.236 25448 3747 1 8 . 1 1 3 3 SER HA H 3 4.697 4.697 4.742 -0.045 25448 3748 1 8 . 1 1 3 3 SER CA C 3 58.996 58.996 56.308 2.688 25448 3749 1 8 . 1 1 3 3 SER CB C 3 63.800 63.800 64.140 -0.340 25448 3750 1 8 . 1 1 3 3 SER H H 3 7.587 7.587 8.305 -0.718 25448 3751 1 8 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.551 -0.138 25448 3752 1 8 . 1 1 4 4 PRO CA C 4 63.354 63.354 62.733 0.621 25448 3753 1 8 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.134 -0.234 25448 3754 1 8 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.121 0.436 25448 3755 1 8 . 1 1 5 5 HIS CA C 5 56.230 56.230 56.951 -0.721 25448 3756 1 8 . 1 1 5 5 HIS CB C 5 30.500 30.500 27.622 2.878 25448 3757 1 8 . 1 1 5 5 HIS H H 5 6.984 6.984 8.296 -1.312 25448 3758 1 8 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.315 -0.027 25448 3759 1 8 . 1 1 6 6 GLN CA C 6 55.174 55.174 56.572 -1.398 25448 3760 1 8 . 1 1 6 6 GLN CB C 6 30.042 30.042 29.138 0.904 25448 3761 1 8 . 1 1 7 7 GLU N N 7 124.477 124.477 124.542 -0.065 25448 3762 1 8 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.492 -0.003 25448 3763 1 8 . 1 1 7 7 GLU CA C 7 54.111 54.111 54.398 -0.286 25448 3764 1 8 . 1 1 7 7 GLU CB C 7 29.912 29.912 29.885 0.027 25448 3765 1 8 . 1 1 7 7 GLU H H 7 8.353 8.353 8.481 -0.128 25448 3766 1 8 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.268 0.076 25448 3767 1 8 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.330 0.068 25448 3768 1 8 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.318 -0.918 25448 3769 1 8 . 1 1 9 9 LYS N N 9 122.328 122.328 120.198 2.130 25448 3770 1 8 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.928 -0.055 25448 3771 1 8 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.998 0.153 25448 3772 1 8 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.737 -1.598 25448 3773 1 8 . 1 1 9 9 LYS H H 9 9.336 9.336 8.961 0.375 25448 3774 1 8 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.602 -0.679 25448 3775 1 8 . 1 1 10 10 PRO CA C 10 64.534 64.534 63.698 0.836 25448 3776 1 8 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.820 -0.191 25448 3777 1 8 . 1 1 11 11 GLY N N 11 112.758 112.758 114.193 -1.435 25448 3778 1 8 . 1 1 11 11 GLY CA C 11 45.182 45.182 45.210 -0.028 25448 3779 1 8 . 1 1 11 11 GLY H H 11 9.359 9.359 9.154 0.205 25448 3780 1 8 . 1 1 12 12 ASP N N 12 120.500 120.500 122.282 -1.782 25448 3781 1 8 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.823 0.047 25448 3782 1 8 . 1 1 12 12 ASP CA C 12 55.211 55.211 54.914 0.297 25448 3783 1 8 . 1 1 12 12 ASP CB C 12 42.946 42.946 42.169 0.777 25448 3784 1 8 . 1 1 12 12 ASP H H 12 8.277 8.277 8.139 0.138 25448 3785 1 8 . 1 1 13 13 LEU N N 13 119.594 119.594 122.163 -2.569 25448 3786 1 8 . 1 1 13 13 LEU HA H 13 4.977 4.977 5.094 -0.117 25448 3787 1 8 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.526 -0.537 25448 3788 1 8 . 1 1 13 13 LEU CB C 13 41.198 41.198 43.109 -1.911 25448 3789 1 8 . 1 1 13 13 LEU H H 13 9.103 9.103 8.616 0.487 25448 3790 1 8 . 1 1 14 14 ILE N N 14 121.352 121.352 124.111 -2.759 25448 3791 1 8 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.901 -0.291 25448 3792 1 8 . 1 1 14 14 ILE CA C 14 58.178 58.178 60.155 -1.977 25448 3793 1 8 . 1 1 14 14 ILE CB C 14 39.213 39.213 40.345 -1.132 25448 3794 1 8 . 1 1 14 14 ILE H H 14 9.221 9.221 9.358 -0.137 25448 3795 1 8 . 1 1 15 15 GLU N N 15 129.555 129.555 127.856 1.699 25448 3796 1 8 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.517 -1.299 25448 3797 1 8 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.537 -0.089 25448 3798 1 8 . 1 1 15 15 GLU CB C 15 31.783 31.783 32.465 -0.682 25448 3799 1 8 . 1 1 15 15 GLU H H 15 8.625 8.625 9.204 -0.579 25448 3800 1 8 . 1 1 16 16 ILE N N 16 125.258 125.258 125.158 0.100 25448 3801 1 8 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.642 -0.533 25448 3802 1 8 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.835 0.665 25448 3803 1 8 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.373 0.028 25448 3804 1 8 . 1 1 16 16 ILE H H 16 8.557 8.557 8.678 -0.121 25448 3805 1 8 . 1 1 17 17 PHE N N 17 127.058 127.058 128.058 -1.000 25448 3806 1 8 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.668 -0.166 25448 3807 1 8 . 1 1 17 17 PHE CA C 17 58.939 58.939 57.080 1.859 25448 3808 1 8 . 1 1 17 17 PHE CB C 17 37.496 37.496 37.542 -0.046 25448 3809 1 8 . 1 1 17 17 PHE H H 17 8.500 8.500 9.158 -0.658 25448 3810 1 8 . 1 1 18 18 ARG N N 18 124.569 124.569 121.141 3.428 25448 3811 1 8 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.380 0.270 25448 3812 1 8 . 1 1 18 18 ARG CA C 18 54.596 54.596 55.200 -0.604 25448 3813 1 8 . 1 1 18 18 ARG CB C 18 30.206 30.206 31.194 -0.988 25448 3814 1 8 . 1 1 18 18 ARG H H 18 7.686 7.686 7.597 0.089 25448 3815 1 8 . 1 1 19 19 LEU N N 19 121.049 121.049 120.989 0.060 25448 3816 1 8 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.256 0.168 25448 3817 1 8 . 1 1 19 19 LEU CA C 19 56.123 56.123 55.857 0.266 25448 3818 1 8 . 1 1 19 19 LEU CB C 19 40.296 40.296 41.865 -1.569 25448 3819 1 8 . 1 1 19 19 LEU H H 19 8.103 8.103 8.719 -0.616 25448 3820 1 8 . 1 1 20 20 GLY N N 20 115.623 115.623 112.355 3.268 25448 3821 1 8 . 1 1 20 20 GLY CA C 20 45.736 45.736 45.582 0.154 25448 3822 1 8 . 1 1 20 20 GLY H H 20 8.686 8.686 8.833 -0.147 25448 3823 1 8 . 1 1 21 21 TYR N N 21 115.905 115.905 120.736 -4.831 25448 3824 1 8 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.699 0.061 25448 3825 1 8 . 1 1 21 21 TYR CA C 21 56.507 56.507 56.323 0.184 25448 3826 1 8 . 1 1 21 21 TYR CB C 21 38.631 38.631 41.402 -2.771 25448 3827 1 8 . 1 1 21 21 TYR H H 21 7.433 7.433 7.746 -0.313 25448 3828 1 8 . 1 1 22 22 GLU N N 22 116.649 116.649 120.115 -3.466 25448 3829 1 8 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.456 0.704 25448 3830 1 8 . 1 1 22 22 GLU CA C 22 56.255 56.255 55.936 0.319 25448 3831 1 8 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.227 1.940 25448 3832 1 8 . 1 1 22 22 GLU H H 22 8.139 8.139 8.586 -0.447 25448 3833 1 8 . 1 1 23 23 HIS N N 23 122.171 122.171 116.951 5.220 25448 3834 1 8 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.881 0.707 25448 3835 1 8 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.796 -0.635 25448 3836 1 8 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.442 0.928 25448 3837 1 8 . 1 1 23 23 HIS H H 23 8.943 8.943 8.286 0.657 25448 3838 1 8 . 1 1 24 24 TRP N N 24 124.412 124.412 117.838 6.574 25448 3839 1 8 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.634 0.063 25448 3840 1 8 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.484 -0.578 25448 3841 1 8 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.936 -1.780 25448 3842 1 8 . 1 1 24 24 TRP H H 24 6.764 6.764 7.939 -1.175 25448 3843 1 8 . 1 1 25 25 ALA N N 25 121.149 121.149 120.583 0.566 25448 3844 1 8 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.084 -0.223 25448 3845 1 8 . 1 1 25 25 ALA CA C 25 50.352 50.352 51.151 -0.799 25448 3846 1 8 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.256 -0.303 25448 3847 1 8 . 1 1 25 25 ALA H H 25 9.336 9.336 9.201 0.135 25448 3848 1 8 . 1 1 26 26 LEU N N 26 122.472 122.472 122.715 -0.243 25448 3849 1 8 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.274 -0.014 25448 3850 1 8 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.862 0.779 25448 3851 1 8 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.693 1.728 25448 3852 1 8 . 1 1 26 26 LEU H H 26 8.835 8.835 8.989 -0.154 25448 3853 1 8 . 1 1 27 27 TYR N N 27 128.215 128.215 128.808 -0.593 25448 3854 1 8 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.703 0.049 25448 3855 1 8 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.588 1.214 25448 3856 1 8 . 1 1 27 27 TYR CB C 27 38.670 38.670 40.150 -1.480 25448 3857 1 8 . 1 1 27 27 TYR H H 27 9.750 9.750 9.067 0.683 25448 3858 1 8 . 1 1 28 28 ILE N N 28 119.796 119.796 121.313 -1.517 25448 3859 1 8 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.536 0.037 25448 3860 1 8 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.193 0.625 25448 3861 1 8 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.250 -0.350 25448 3862 1 8 . 1 1 28 28 ILE H H 28 8.196 8.196 7.975 0.221 25448 3863 1 8 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.404 -0.404 25448 3864 1 8 . 1 1 29 29 GLY H H 29 6.584 6.584 6.736 -0.152 25448 3865 1 8 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.371 0.051 25448 3866 1 8 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.160 0.480 25448 3867 1 8 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.343 -0.090 25448 3868 1 8 . 1 1 30 30 ASP H H 30 6.837 6.837 8.975 -2.138 25448 3869 1 8 . 1 1 31 31 GLY N N 31 124.953 124.953 103.321 21.632 25448 3870 1 8 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.251 0.287 25448 3871 1 8 . 1 1 31 31 GLY H H 31 8.120 8.120 7.952 0.168 25448 3872 1 8 . 1 1 32 32 TYR N N 32 120.196 120.196 121.080 -0.884 25448 3873 1 8 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.011 -0.081 25448 3874 1 8 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.624 0.164 25448 3875 1 8 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.458 1.537 25448 3876 1 8 . 1 1 32 32 TYR H H 32 7.843 7.843 7.664 0.179 25448 3877 1 8 . 1 1 33 33 VAL N N 33 109.892 109.892 113.396 -3.504 25448 3878 1 8 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.201 0.265 25448 3879 1 8 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.344 -1.885 25448 3880 1 8 . 1 1 33 33 VAL CB C 33 35.157 35.157 36.035 -0.878 25448 3881 1 8 . 1 1 33 33 VAL H H 33 9.242 9.242 9.280 -0.038 25448 3882 1 8 . 1 1 34 34 ILE N N 34 119.424 119.424 121.141 -1.717 25448 3883 1 8 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.365 0.190 25448 3884 1 8 . 1 1 34 34 ILE CA C 34 60.331 60.331 59.943 0.388 25448 3885 1 8 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.768 0.164 25448 3886 1 8 . 1 1 34 34 ILE H H 34 9.084 9.084 9.002 0.082 25448 3887 1 8 . 1 1 35 35 HIS N N 35 123.118 123.118 120.627 2.491 25448 3888 1 8 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.370 -0.212 25448 3889 1 8 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.787 -0.569 25448 3890 1 8 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.200 2.800 25448 3891 1 8 . 1 1 35 35 HIS H H 35 9.110 9.110 9.105 0.005 25448 3892 1 8 . 1 1 36 36 LEU N N 36 123.704 123.704 120.194 3.510 25448 3893 1 8 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.832 -0.748 25448 3894 1 8 . 1 1 36 36 LEU CA C 36 53.682 53.682 53.910 -0.229 25448 3895 1 8 . 1 1 36 36 LEU CB C 36 41.631 41.631 44.148 -2.517 25448 3896 1 8 . 1 1 36 36 LEU H H 36 8.991 8.991 9.047 -0.056 25448 3897 1 8 . 1 1 37 37 ALA N N 37 129.765 129.765 125.063 4.702 25448 3898 1 8 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.903 -0.576 25448 3899 1 8 . 1 1 37 37 ALA CA C 37 49.698 49.698 49.049 0.649 25448 3900 1 8 . 1 1 37 37 ALA CB C 37 19.428 19.428 19.145 0.283 25448 3901 1 8 . 1 1 37 37 ALA H H 37 8.050 8.050 8.680 -0.630 25448 3902 1 8 . 1 1 38 38 PRO HA H 38 4.004 4.004 3.938 0.066 25448 3903 1 8 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.412 -0.612 25448 3904 1 8 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.031 -0.503 25448 3905 1 8 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.434 -0.060 25448 3906 1 8 . 1 1 39 39 PRO CA C 39 62.900 62.900 62.749 0.151 25448 3907 1 8 . 1 1 39 39 PRO CB C 39 32.000 32.000 32.180 -0.180 25448 3908 1 8 . 1 1 40 40 SER N N 40 114.906 114.906 117.323 -2.417 25448 3909 1 8 . 1 1 40 40 SER HA H 40 4.326 4.326 4.192 0.134 25448 3910 1 8 . 1 1 40 40 SER CA C 40 58.700 58.700 59.432 -0.732 25448 3911 1 8 . 1 1 40 40 SER CB C 40 64.004 64.004 63.544 0.460 25448 3912 1 8 . 1 1 40 40 SER H H 40 8.184 8.184 8.573 -0.389 25448 3913 1 8 . 1 1 41 41 GLU N N 41 121.221 121.221 120.272 0.949 25448 3914 1 8 . 1 1 41 41 GLU HA H 41 4.261 4.261 3.834 0.427 25448 3915 1 8 . 1 1 41 41 GLU CA C 41 56.424 56.424 59.025 -2.601 25448 3916 1 8 . 1 1 41 41 GLU CB C 41 30.514 30.514 29.143 1.371 25448 3917 1 8 . 1 1 41 41 GLU H H 41 8.401 8.401 8.774 -0.373 25448 3918 1 8 . 1 1 42 42 TYR N N 42 121.900 121.900 119.892 2.008 25448 3919 1 8 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.799 -0.019 25448 3920 1 8 . 1 1 42 42 TYR CA C 42 55.700 55.700 55.724 -0.024 25448 3921 1 8 . 1 1 42 42 TYR CB C 42 38.400 38.400 38.780 -0.380 25448 3922 1 8 . 1 1 42 42 TYR H H 42 8.117 8.117 7.882 0.235 25448 3923 1 8 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.420 -0.017 25448 3924 1 8 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.586 0.894 25448 3925 1 8 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.237 -0.437 25448 3926 1 8 . 1 1 44 44 GLY N N 44 109.030 109.030 112.259 -3.229 25448 3927 1 8 . 1 1 44 44 GLY CA C 44 45.244 45.244 44.850 0.394 25448 3928 1 8 . 1 1 44 44 GLY H H 44 8.001 8.001 8.567 -0.566 25448 3929 1 8 . 1 1 45 45 ALA N N 45 123.500 123.500 125.496 -1.996 25448 3930 1 8 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.347 -0.035 25448 3931 1 8 . 1 1 45 45 ALA CA C 45 52.853 52.853 51.673 1.180 25448 3932 1 8 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.281 0.041 25448 3933 1 8 . 1 1 45 45 ALA H H 45 8.082 8.082 8.419 -0.337 25448 3934 1 8 . 1 1 46 46 GLY N N 46 108.151 108.151 107.428 0.723 25448 3935 1 8 . 1 1 46 46 GLY CA C 46 45.460 45.460 44.900 0.560 25448 3936 1 8 . 1 1 46 46 GLY H H 46 8.408 8.408 8.596 -0.188 25448 3937 1 8 . 1 1 48 48 SER N N 48 116.904 116.904 117.155 -0.251 25448 3938 1 8 . 1 1 48 48 SER HA H 48 4.700 4.700 4.230 0.470 25448 3939 1 8 . 1 1 48 48 SER H H 48 8.044 8.044 8.745 -0.701 25448 3940 1 8 . 1 1 49 49 SER HA H 49 4.456 4.456 4.278 0.178 25448 3941 1 8 . 1 1 49 49 SER CA C 49 58.713 58.713 60.409 -1.696 25448 3942 1 8 . 1 1 49 49 SER CB C 49 64.000 64.000 62.782 1.218 25448 3943 1 8 . 1 1 50 50 VAL N N 50 120.352 120.352 123.463 -3.111 25448 3944 1 8 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.794 0.239 25448 3945 1 8 . 1 1 50 50 VAL CA C 50 62.816 62.816 65.374 -2.558 25448 3946 1 8 . 1 1 50 50 VAL CB C 50 32.416 32.416 31.688 0.728 25448 3947 1 8 . 1 1 50 50 VAL H H 50 7.890 7.890 8.478 -0.588 25448 3948 1 8 . 1 1 51 51 PHE N N 51 121.600 121.600 120.531 1.069 25448 3949 1 8 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.132 0.444 25448 3950 1 8 . 1 1 51 51 PHE CA C 51 58.198 58.198 60.690 -2.492 25448 3951 1 8 . 1 1 51 51 PHE CB C 51 39.470 39.470 39.210 0.260 25448 3952 1 8 . 1 1 51 51 PHE H H 51 7.989 7.989 7.708 0.281 25448 3953 1 8 . 1 1 52 52 SER N N 52 116.521 116.521 113.472 3.049 25448 3954 1 8 . 1 1 52 52 SER HA H 52 4.429 4.429 4.348 0.081 25448 3955 1 8 . 1 1 52 52 SER C C 52 174.445 174.445 173.606 0.839 25448 3956 1 8 . 1 1 52 52 SER CA C 52 58.365 58.365 57.885 0.480 25448 3957 1 8 . 1 1 52 52 SER CB C 52 64.018 64.018 63.513 0.505 25448 3958 1 8 . 1 1 52 52 SER H H 52 8.018 8.018 7.767 0.251 25448 3959 1 8 . 1 1 53 53 VAL N N 53 120.571 120.571 122.530 -1.959 25448 3960 1 8 . 1 1 53 53 VAL HA H 53 4.103 4.103 3.481 0.622 25448 3961 1 8 . 1 1 53 53 VAL CA C 53 62.979 62.979 64.950 -1.971 25448 3962 1 8 . 1 1 53 53 VAL CB C 53 32.416 32.416 31.434 0.982 25448 3963 1 8 . 1 1 53 53 VAL H H 53 7.959 7.959 7.379 0.580 25448 3964 1 8 . 1 1 54 54 LEU N N 54 123.703 123.703 123.780 -0.077 25448 3965 1 8 . 1 1 54 54 LEU HA H 54 4.366 4.366 3.797 0.569 25448 3966 1 8 . 1 1 54 54 LEU CA C 54 55.500 55.500 56.934 -1.435 25448 3967 1 8 . 1 1 54 54 LEU CB C 54 42.293 42.293 40.084 2.209 25448 3968 1 8 . 1 1 54 54 LEU H H 54 8.095 8.095 8.986 -0.891 25448 3969 1 8 . 1 1 55 55 SER N N 55 115.309 115.309 114.539 0.770 25448 3970 1 8 . 1 1 55 55 SER HA H 55 4.399 4.399 4.243 0.156 25448 3971 1 8 . 1 1 55 55 SER CA C 55 58.365 58.365 58.802 -0.437 25448 3972 1 8 . 1 1 55 55 SER CB C 55 64.110 64.110 63.555 0.555 25448 3973 1 8 . 1 1 55 55 SER H H 55 8.063 8.063 7.831 0.232 25448 3974 1 8 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.610 0.308 25448 3975 1 8 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.766 -0.614 25448 3976 1 8 . 1 1 56 56 ASN CB C 56 39.339 39.339 39.182 0.157 25448 3977 1 8 . 1 1 57 57 SER N N 57 115.102 115.102 114.333 0.769 25448 3978 1 8 . 1 1 57 57 SER HA H 57 4.694 4.694 4.549 0.145 25448 3979 1 8 . 1 1 57 57 SER CA C 57 58.307 58.307 57.130 1.177 25448 3980 1 8 . 1 1 57 57 SER CB C 57 64.838 64.838 66.067 -1.229 25448 3981 1 8 . 1 1 57 57 SER H H 57 8.065 8.065 8.166 -0.101 25448 3982 1 8 . 1 1 58 58 ALA N N 58 125.610 125.610 123.127 2.483 25448 3983 1 8 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.775 -0.281 25448 3984 1 8 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.746 0.535 25448 3985 1 8 . 1 1 58 58 ALA CB C 58 22.479 22.479 20.547 1.932 25448 3986 1 8 . 1 1 58 58 ALA H H 58 8.548 8.548 8.458 0.090 25448 3987 1 8 . 1 1 59 59 GLU N N 59 120.190 120.190 119.195 0.995 25448 3988 1 8 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.110 -0.077 25448 3989 1 8 . 1 1 59 59 GLU CA C 59 54.004 54.004 54.234 -0.230 25448 3990 1 8 . 1 1 59 59 GLU CB C 59 34.292 34.292 34.459 -0.168 25448 3991 1 8 . 1 1 59 59 GLU H H 59 8.116 8.116 8.191 -0.075 25448 3992 1 8 . 1 1 60 60 VAL N N 60 125.380 125.380 125.403 -0.023 25448 3993 1 8 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.051 0.287 25448 3994 1 8 . 1 1 60 60 VAL CA C 60 62.784 62.784 63.236 -0.452 25448 3995 1 8 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.553 -0.797 25448 3996 1 8 . 1 1 60 60 VAL H H 60 8.531 8.531 8.899 -0.368 25448 3997 1 8 . 1 1 61 61 LYS N N 61 129.548 129.548 125.734 3.814 25448 3998 1 8 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.681 0.219 25448 3999 1 8 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.375 1.209 25448 4000 1 8 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.458 0.576 25448 4001 1 8 . 1 1 61 61 LYS H H 61 9.068 9.068 8.761 0.307 25448 4002 1 8 . 1 1 62 62 ARG N N 62 123.653 123.653 122.635 1.018 25448 4003 1 8 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.375 0.327 25448 4004 1 8 . 1 1 62 62 ARG CA C 62 54.386 54.386 54.937 -0.551 25448 4005 1 8 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.382 -0.423 25448 4006 1 8 . 1 1 62 62 ARG H H 62 8.749 8.749 8.560 0.189 25448 4007 1 8 . 1 1 63 63 GLU N N 63 125.033 125.033 123.645 1.388 25448 4008 1 8 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.778 0.220 25448 4009 1 8 . 1 1 63 63 GLU CA C 63 54.878 54.878 55.131 -0.253 25448 4010 1 8 . 1 1 63 63 GLU CB C 63 36.983 36.983 33.985 2.998 25448 4011 1 8 . 1 1 63 63 GLU H H 63 8.973 8.973 9.082 -0.109 25448 4012 1 8 . 1 1 64 64 ARG N N 64 121.855 121.855 119.748 2.107 25448 4013 1 8 . 1 1 64 64 ARG HA H 64 3.900 3.900 3.875 0.025 25448 4014 1 8 . 1 1 64 64 ARG CA C 64 56.900 56.900 57.049 -0.149 25448 4015 1 8 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.120 -0.574 25448 4016 1 8 . 1 1 64 64 ARG H H 64 9.273 9.273 8.596 0.677 25448 4017 1 8 . 1 1 65 65 LEU N N 65 124.611 124.611 126.458 -1.847 25448 4018 1 8 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.847 -0.277 25448 4019 1 8 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.731 0.279 25448 4020 1 8 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.899 -0.176 25448 4021 1 8 . 1 1 65 65 LEU H H 65 8.823 8.823 8.867 -0.044 25448 4022 1 8 . 1 1 66 66 GLU N N 66 115.188 115.188 118.141 -2.953 25448 4023 1 8 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.759 0.076 25448 4024 1 8 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.998 -0.344 25448 4025 1 8 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.627 0.533 25448 4026 1 8 . 1 1 66 66 GLU H H 66 9.360 9.360 8.770 0.590 25448 4027 1 8 . 1 1 67 67 ASP N N 67 118.590 118.590 118.796 -0.206 25448 4028 1 8 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.392 0.068 25448 4029 1 8 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.432 0.135 25448 4030 1 8 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.694 -0.024 25448 4031 1 8 . 1 1 67 67 ASP H H 67 6.806 6.806 8.184 -1.378 25448 4032 1 8 . 1 1 68 68 VAL N N 68 119.985 119.985 119.063 0.922 25448 4033 1 8 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.659 -0.043 25448 4034 1 8 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.471 -0.401 25448 4035 1 8 . 1 1 68 68 VAL CB C 68 32.167 32.167 32.066 0.101 25448 4036 1 8 . 1 1 68 68 VAL H H 68 7.414 7.414 8.042 -0.628 25448 4037 1 8 . 1 1 69 69 VAL N N 69 116.972 116.972 115.413 1.559 25448 4038 1 8 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.806 -0.304 25448 4039 1 8 . 1 1 69 69 VAL CA C 69 65.337 65.337 63.927 1.410 25448 4040 1 8 . 1 1 69 69 VAL CB C 69 32.036 32.036 31.115 0.921 25448 4041 1 8 . 1 1 69 69 VAL H H 69 8.261 8.261 8.303 -0.042 25448 4042 1 8 . 1 1 70 70 GLY N N 70 107.311 107.311 110.889 -3.578 25448 4043 1 8 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.511 1.099 25448 4044 1 8 . 1 1 70 70 GLY H H 70 7.395 7.395 8.418 -1.023 25448 4045 1 8 . 1 1 71 71 GLY N N 71 110.582 110.582 110.517 0.065 25448 4046 1 8 . 1 1 71 71 GLY CA C 71 45.176 45.176 44.625 0.551 25448 4047 1 8 . 1 1 71 71 GLY H H 71 8.831 8.831 8.521 0.310 25448 4048 1 8 . 1 1 72 72 CYS N N 72 118.742 118.742 119.193 -0.451 25448 4049 1 8 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.481 0.017 25448 4050 1 8 . 1 1 72 72 CYS CA C 72 60.154 60.154 59.679 0.475 25448 4051 1 8 . 1 1 72 72 CYS CB C 72 29.295 29.295 28.669 0.626 25448 4052 1 8 . 1 1 72 72 CYS H H 72 7.613 7.613 7.696 -0.083 25448 4053 1 8 . 1 1 73 73 CYS N N 73 120.205 120.205 122.203 -1.998 25448 4054 1 8 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.586 -0.055 25448 4055 1 8 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.386 0.406 25448 4056 1 8 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.259 -0.213 25448 4057 1 8 . 1 1 73 73 CYS H H 73 9.007 9.007 8.691 0.316 25448 4058 1 8 . 1 1 74 74 TYR N N 74 119.008 119.008 115.778 3.230 25448 4059 1 8 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.599 -0.002 25448 4060 1 8 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.602 -1.012 25448 4061 1 8 . 1 1 74 74 TYR CB C 74 41.876 41.876 40.949 0.927 25448 4062 1 8 . 1 1 74 74 TYR H H 74 8.141 8.141 8.123 0.018 25448 4063 1 8 . 1 1 75 75 ARG N N 75 115.457 115.457 116.723 -1.266 25448 4064 1 8 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.717 -0.078 25448 4065 1 8 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.792 -0.797 25448 4066 1 8 . 1 1 75 75 ARG CB C 75 33.235 33.235 34.276 -1.041 25448 4067 1 8 . 1 1 75 75 ARG H H 75 9.008 9.008 8.985 0.023 25448 4068 1 8 . 1 1 76 76 VAL N N 76 123.071 123.071 120.637 2.434 25448 4069 1 8 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.375 0.188 25448 4070 1 8 . 1 1 76 76 VAL CA C 76 62.968 62.968 62.931 0.037 25448 4071 1 8 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.205 -0.240 25448 4072 1 8 . 1 1 76 76 VAL H H 76 8.511 8.511 8.669 -0.158 25448 4073 1 8 . 1 1 77 77 ASN N N 77 126.125 126.125 125.340 0.785 25448 4074 1 8 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.889 -0.034 25448 4075 1 8 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.333 -0.261 25448 4076 1 8 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.840 -1.200 25448 4077 1 8 . 1 1 77 77 ASN H H 77 8.824 8.824 8.831 -0.007 25448 4078 1 8 . 1 1 78 78 ASN N N 78 124.269 124.269 120.870 3.399 25448 4079 1 8 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.849 0.497 25448 4080 1 8 . 1 1 78 78 ASN CA C 78 52.124 52.124 52.326 -0.202 25448 4081 1 8 . 1 1 78 78 ASN CB C 78 36.948 36.948 37.052 -0.104 25448 4082 1 8 . 1 1 78 78 ASN H H 78 8.685 8.685 8.603 0.082 25448 4083 1 8 . 1 1 79 79 SER N N 79 117.959 117.959 117.144 0.815 25448 4084 1 8 . 1 1 79 79 SER HA H 79 4.112 4.112 4.304 -0.192 25448 4085 1 8 . 1 1 79 79 SER CA C 79 62.669 62.669 60.546 2.123 25448 4086 1 8 . 1 1 79 79 SER CB C 79 63.727 63.727 63.256 0.471 25448 4087 1 8 . 1 1 79 79 SER H H 79 8.109 8.109 8.162 -0.053 25448 4088 1 8 . 1 1 80 80 LEU N N 80 121.272 121.272 122.207 -0.935 25448 4089 1 8 . 1 1 80 80 LEU HA H 80 4.470 4.470 3.939 0.531 25448 4090 1 8 . 1 1 80 80 LEU CA C 80 55.542 55.542 56.097 -0.555 25448 4091 1 8 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.097 0.403 25448 4092 1 8 . 1 1 80 80 LEU H H 80 7.947 7.947 8.015 -0.068 25448 4093 1 8 . 1 1 81 81 ASP N N 81 121.692 121.692 120.165 1.527 25448 4094 1 8 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.281 0.809 25448 4095 1 8 . 1 1 81 81 ASP CA C 81 56.604 56.604 57.137 -0.533 25448 4096 1 8 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.002 -0.702 25448 4097 1 8 . 1 1 81 81 ASP H H 81 8.294 8.294 7.704 0.590 25448 4098 1 8 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.453 0.002 25448 4099 1 8 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.888 0.013 25448 4100 1 8 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.564 -0.797 25448 4101 1 8 . 1 1 83 83 GLU N N 83 118.940 118.940 118.317 0.623 25448 4102 1 8 . 1 1 83 83 GLU HA H 83 4.153 4.153 3.997 0.156 25448 4103 1 8 . 1 1 83 83 GLU CA C 83 56.870 56.870 56.973 -0.103 25448 4104 1 8 . 1 1 83 83 GLU CB C 83 32.422 32.422 30.710 1.712 25448 4105 1 8 . 1 1 83 83 GLU H H 83 7.476 7.476 7.715 -0.239 25448 4106 1 8 . 1 1 84 84 TYR N N 84 119.225 119.225 118.229 0.996 25448 4107 1 8 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.832 -0.066 25448 4108 1 8 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.233 -1.310 25448 4109 1 8 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.658 1.566 25448 4110 1 8 . 1 1 84 84 TYR H H 84 8.207 8.207 7.822 0.385 25448 4111 1 8 . 1 1 85 85 GLN N N 85 119.667 119.667 120.251 -0.584 25448 4112 1 8 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.533 0.265 25448 4113 1 8 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.390 -1.187 25448 4114 1 8 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.356 1.010 25448 4115 1 8 . 1 1 85 85 GLN H H 85 8.264 8.264 8.633 -0.369 25448 4116 1 8 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.356 0.066 25448 4117 1 8 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.652 -1.041 25448 4118 1 8 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.122 -0.272 25448 4119 1 8 . 1 1 87 87 ARG N N 87 121.150 121.150 120.594 0.556 25448 4120 1 8 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.772 -0.367 25448 4121 1 8 . 1 1 87 87 ARG CA C 87 55.600 55.600 53.556 2.044 25448 4122 1 8 . 1 1 87 87 ARG CB C 87 29.301 29.301 30.279 -0.978 25448 4123 1 8 . 1 1 87 87 ARG H H 87 8.254 8.254 8.384 -0.130 25448 4124 1 8 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.689 -0.242 25448 4125 1 8 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.475 0.504 25448 4126 1 8 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.836 -0.565 25448 4127 1 8 . 1 1 89 89 VAL N N 89 125.682 125.682 125.973 -0.291 25448 4128 1 8 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.687 -0.186 25448 4129 1 8 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.438 1.974 25448 4130 1 8 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.184 -0.549 25448 4131 1 8 . 1 1 89 89 VAL H H 89 8.678 8.678 8.714 -0.036 25448 4132 1 8 . 1 1 90 90 GLU N N 90 117.092 117.092 118.859 -1.767 25448 4133 1 8 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.100 -0.073 25448 4134 1 8 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.561 0.454 25448 4135 1 8 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.533 0.100 25448 4136 1 8 . 1 1 90 90 GLU H H 90 9.318 9.318 8.880 0.438 25448 4137 1 8 . 1 1 91 91 VAL N N 91 119.967 119.967 120.126 -0.159 25448 4138 1 8 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.823 0.041 25448 4139 1 8 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.145 -0.145 25448 4140 1 8 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.063 0.838 25448 4141 1 8 . 1 1 91 91 VAL H H 91 7.153 7.153 7.662 -0.509 25448 4142 1 8 . 1 1 92 92 ILE N N 92 122.669 122.669 122.198 0.471 25448 4143 1 8 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.934 -0.624 25448 4144 1 8 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.285 1.426 25448 4145 1 8 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.807 0.756 25448 4146 1 8 . 1 1 92 92 ILE H H 92 8.004 8.004 7.331 0.673 25448 4147 1 8 . 1 1 93 93 ILE N N 93 115.049 115.049 120.193 -5.144 25448 4148 1 8 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.698 -0.166 25448 4149 1 8 . 1 1 93 93 ILE CA C 93 65.085 65.085 62.733 2.352 25448 4150 1 8 . 1 1 93 93 ILE CB C 93 37.163 37.163 36.305 0.858 25448 4151 1 8 . 1 1 93 93 ILE H H 93 8.305 8.305 8.267 0.038 25448 4152 1 8 . 1 1 94 94 SER N N 94 115.196 115.196 116.685 -1.489 25448 4153 1 8 . 1 1 94 94 SER HA H 94 4.101 4.101 4.090 0.011 25448 4154 1 8 . 1 1 94 94 SER CA C 94 62.300 62.300 62.579 -0.279 25448 4155 1 8 . 1 1 94 94 SER H H 94 7.927 7.927 8.350 -0.423 25448 4156 1 8 . 1 1 95 95 SER N N 95 117.891 117.891 118.459 -0.568 25448 4157 1 8 . 1 1 95 95 SER HA H 95 4.209 4.209 4.047 0.162 25448 4158 1 8 . 1 1 95 95 SER CA C 95 62.100 62.100 62.291 -0.191 25448 4159 1 8 . 1 1 95 95 SER CB C 95 62.714 62.714 62.907 -0.193 25448 4160 1 8 . 1 1 95 95 SER H H 95 8.174 8.174 8.324 -0.150 25448 4161 1 8 . 1 1 96 96 ALA N N 96 123.830 123.830 124.270 -0.440 25448 4162 1 8 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.080 -0.189 25448 4163 1 8 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.494 -0.218 25448 4164 1 8 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.280 1.668 25448 4165 1 8 . 1 1 96 96 ALA H H 96 8.110 8.110 8.144 -0.034 25448 4166 1 8 . 1 1 97 97 LYS N N 97 115.893 115.893 118.541 -2.648 25448 4167 1 8 . 1 1 97 97 LYS HA H 97 3.808 3.808 4.010 -0.202 25448 4168 1 8 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.276 1.073 25448 4169 1 8 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.425 0.273 25448 4170 1 8 . 1 1 97 97 LYS H H 97 8.218 8.218 8.112 0.106 25448 4171 1 8 . 1 1 98 98 GLU N N 98 117.006 117.006 118.192 -1.186 25448 4172 1 8 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.107 0.033 25448 4173 1 8 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.489 -0.267 25448 4174 1 8 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.655 0.121 25448 4175 1 8 . 1 1 98 98 GLU H H 98 7.474 7.474 8.356 -0.882 25448 4176 1 8 . 1 1 99 99 MET N N 99 114.572 114.572 117.069 -2.497 25448 4177 1 8 . 1 1 99 99 MET HA H 99 4.533 4.533 4.366 0.167 25448 4178 1 8 . 1 1 99 99 MET CA C 99 55.292 55.292 56.108 -0.816 25448 4179 1 8 . 1 1 99 99 MET CB C 99 33.777 33.777 33.343 0.434 25448 4180 1 8 . 1 1 99 99 MET H H 99 7.378 7.378 8.113 -0.735 25448 4181 1 8 . 1 1 100 100 VAL N N 100 119.104 119.104 118.559 0.545 25448 4182 1 8 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.629 -0.363 25448 4183 1 8 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.160 0.887 25448 4184 1 8 . 1 1 100 100 VAL CB C 100 31.325 31.325 31.073 0.252 25448 4185 1 8 . 1 1 100 100 VAL H H 100 7.056 7.056 8.011 -0.955 25448 4186 1 8 . 1 1 101 101 GLY N N 101 116.779 116.779 114.668 2.111 25448 4187 1 8 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.860 -0.209 25448 4188 1 8 . 1 1 101 101 GLY H H 101 8.979 8.979 8.897 0.082 25448 4189 1 8 . 1 1 102 102 GLN N N 102 119.990 119.990 120.740 -0.750 25448 4190 1 8 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.401 -0.204 25448 4191 1 8 . 1 1 102 102 GLN C C 102 174.994 174.994 175.498 -0.504 25448 4192 1 8 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.230 1.433 25448 4193 1 8 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.113 -1.177 25448 4194 1 8 . 1 1 102 102 GLN H H 102 8.103 8.103 7.942 0.161 25448 4195 1 8 . 1 1 103 103 LYS N N 103 120.261 120.261 122.997 -2.736 25448 4196 1 8 . 1 1 103 103 LYS HA H 103 5.266 5.266 4.938 0.328 25448 4197 1 8 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.849 -1.207 25448 4198 1 8 . 1 1 103 103 LYS CB C 103 34.196 34.196 33.986 0.210 25448 4199 1 8 . 1 1 103 103 LYS H H 103 8.310 8.310 8.449 -0.139 25448 4200 1 8 . 1 1 104 104 MET N N 104 119.868 119.868 121.983 -2.115 25448 4201 1 8 . 1 1 104 104 MET HA H 104 4.692 4.692 4.727 -0.035 25448 4202 1 8 . 1 1 104 104 MET CA C 104 54.276 54.276 53.110 1.166 25448 4203 1 8 . 1 1 104 104 MET CB C 104 36.831 36.831 36.549 0.282 25448 4204 1 8 . 1 1 104 104 MET H H 104 8.556 8.556 9.028 -0.472 25448 4205 1 8 . 1 1 105 105 LYS N N 105 120.932 120.932 124.303 -3.371 25448 4206 1 8 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.347 0.019 25448 4207 1 8 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.887 0.213 25448 4208 1 8 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.208 0.682 25448 4209 1 8 . 1 1 105 105 LYS H H 105 8.257 8.257 8.636 -0.379 25448 4210 1 8 . 1 1 106 106 TYR N N 106 122.600 122.600 125.425 -2.825 25448 4211 1 8 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.589 -0.171 25448 4212 1 8 . 1 1 106 106 TYR CA C 106 56.726 56.726 59.289 -2.563 25448 4213 1 8 . 1 1 106 106 TYR CB C 106 38.561 38.561 39.728 -1.167 25448 4214 1 8 . 1 1 106 106 TYR H H 106 8.378 8.378 8.663 -0.285 25448 4215 1 8 . 1 1 107 107 SER N N 107 116.904 116.904 116.541 0.363 25448 4216 1 8 . 1 1 107 107 SER CA C 107 56.717 56.717 58.665 -1.948 25448 4217 1 8 . 1 1 107 107 SER CB C 107 63.983 63.983 62.493 1.490 25448 4218 1 8 . 1 1 107 107 SER H H 107 8.044 8.044 7.967 0.077 25448 4219 1 8 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.901 0.112 25448 4220 1 8 . 1 1 109 109 VAL CA C 109 64.307 64.307 64.267 0.040 25448 4221 1 8 . 1 1 109 109 VAL CB C 109 32.000 32.000 32.137 -0.137 25448 4222 1 8 . 1 1 111 111 ARG HA H 111 4.372 4.372 3.819 0.553 25448 4223 1 8 . 1 1 111 111 ARG CA C 111 57.100 57.100 56.219 0.881 25448 4224 1 8 . 1 1 111 111 ARG CB C 111 28.110 28.110 27.310 0.800 25448 4225 1 8 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.221 0.267 25448 4226 1 8 . 1 1 113 113 CYS CA C 113 61.609 61.609 62.284 -0.675 25448 4227 1 8 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.137 -0.337 25448 4228 1 8 . 1 1 114 114 GLU N N 114 125.287 125.287 121.845 3.442 25448 4229 1 8 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.572 -0.133 25448 4230 1 8 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.349 -0.680 25448 4231 1 8 . 1 1 114 114 GLU CB C 114 30.058 30.058 28.700 1.358 25448 4232 1 8 . 1 1 114 114 GLU H H 114 7.720 7.720 8.104 -0.384 25448 4233 1 8 . 1 1 115 115 HIS N N 115 119.008 119.008 119.971 -0.963 25448 4234 1 8 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.190 0.207 25448 4235 1 8 . 1 1 115 115 HIS CA C 115 58.460 58.460 59.987 -1.527 25448 4236 1 8 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.995 0.066 25448 4237 1 8 . 1 1 115 115 HIS H H 115 8.051 8.051 8.451 -0.400 25448 4238 1 8 . 1 1 116 116 PHE N N 116 117.059 117.059 120.587 -3.528 25448 4239 1 8 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.158 0.190 25448 4240 1 8 . 1 1 116 116 PHE CA C 116 61.077 61.077 61.117 -0.040 25448 4241 1 8 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.994 0.604 25448 4242 1 8 . 1 1 116 116 PHE H H 116 8.168 8.168 8.459 -0.291 25448 4243 1 8 . 1 1 117 117 VAL N N 117 107.857 107.857 115.266 -7.409 25448 4244 1 8 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.249 0.616 25448 4245 1 8 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.701 -1.110 25448 4246 1 8 . 1 1 117 117 VAL CB C 117 30.573 30.573 30.662 -0.089 25448 4247 1 8 . 1 1 117 117 VAL H H 117 7.080 7.080 8.256 -1.176 25448 4248 1 8 . 1 1 118 118 THR N N 118 117.382 117.382 117.785 -0.403 25448 4249 1 8 . 1 1 118 118 THR HA H 118 4.046 4.046 3.912 0.134 25448 4250 1 8 . 1 1 118 118 THR CA C 118 66.745 66.745 67.060 -0.315 25448 4251 1 8 . 1 1 118 118 THR CB C 118 68.185 68.185 68.433 -0.248 25448 4252 1 8 . 1 1 118 118 THR H H 118 8.465 8.465 8.157 0.308 25448 4253 1 8 . 1 1 119 119 GLN N N 119 121.900 121.900 120.623 1.277 25448 4254 1 8 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.064 -0.179 25448 4255 1 8 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.621 0.381 25448 4256 1 8 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.093 -0.482 25448 4257 1 8 . 1 1 119 119 GLN H H 119 8.074 8.074 8.243 -0.169 25448 4258 1 8 . 1 1 120 120 LEU N N 120 117.899 117.899 118.525 -0.626 25448 4259 1 8 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.936 -0.101 25448 4260 1 8 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.923 -0.496 25448 4261 1 8 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.194 1.040 25448 4262 1 8 . 1 1 120 120 LEU H H 120 6.829 6.829 7.565 -0.736 25448 4263 1 8 . 1 1 121 121 ARG N N 121 117.250 117.250 117.677 -0.427 25448 4264 1 8 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.129 -0.209 25448 4265 1 8 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.566 0.477 25448 4266 1 8 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.946 -0.690 25448 4267 1 8 . 1 1 121 121 ARG H H 121 7.677 7.677 7.631 0.046 25448 4268 1 8 . 1 1 122 122 TYR N N 122 111.508 111.508 121.211 -9.703 25448 4269 1 8 . 1 1 122 122 TYR HA H 122 4.640 4.640 3.996 0.644 25448 4270 1 8 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.172 -1.651 25448 4271 1 8 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.340 1.334 25448 4272 1 8 . 1 1 122 122 TYR H H 122 8.114 8.114 8.987 -0.873 25448 4273 1 8 . 1 1 123 123 GLY N N 123 109.399 109.399 105.381 4.018 25448 4274 1 8 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.032 1.309 25448 4275 1 8 . 1 1 123 123 GLY H H 123 8.032 8.032 7.663 0.369 25448 4276 1 8 . 1 1 124 124 LYS N N 124 117.936 117.936 119.420 -1.484 25448 4277 1 8 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.054 0.298 25448 4278 1 8 . 1 1 124 124 LYS CA C 124 55.200 55.200 55.680 -0.480 25448 4279 1 8 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.595 1.403 25448 4280 1 8 . 1 1 124 124 LYS H H 124 7.402 7.402 7.089 0.313 25448 4281 1 9 . 1 1 3 3 SER N N 3 113.812 113.812 117.658 -3.846 25448 4282 1 9 . 1 1 3 3 SER HA H 3 4.697 4.697 4.522 0.175 25448 4283 1 9 . 1 1 3 3 SER CA C 3 58.996 58.996 57.274 1.722 25448 4284 1 9 . 1 1 3 3 SER CB C 3 63.800 63.800 63.288 0.513 25448 4285 1 9 . 1 1 3 3 SER H H 3 7.587 7.587 8.395 -0.808 25448 4286 1 9 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.470 -0.057 25448 4287 1 9 . 1 1 4 4 PRO CA C 4 63.354 63.354 62.959 0.395 25448 4288 1 9 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.376 -0.476 25448 4289 1 9 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.208 0.349 25448 4290 1 9 . 1 1 5 5 HIS CA C 5 56.230 56.230 55.780 0.450 25448 4291 1 9 . 1 1 5 5 HIS CB C 5 30.500 30.500 30.031 0.469 25448 4292 1 9 . 1 1 5 5 HIS H H 5 6.984 6.984 8.525 -1.541 25448 4293 1 9 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.405 -0.117 25448 4294 1 9 . 1 1 6 6 GLN CA C 6 55.174 55.174 56.077 -0.903 25448 4295 1 9 . 1 1 6 6 GLN CB C 6 30.042 30.042 29.549 0.493 25448 4296 1 9 . 1 1 7 7 GLU N N 7 124.477 124.477 122.059 2.418 25448 4297 1 9 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.688 -0.199 25448 4298 1 9 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.732 0.379 25448 4299 1 9 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.363 -1.451 25448 4300 1 9 . 1 1 7 7 GLU H H 7 8.353 8.353 8.363 -0.010 25448 4301 1 9 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.485 -0.141 25448 4302 1 9 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.222 0.176 25448 4303 1 9 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.645 -1.246 25448 4304 1 9 . 1 1 9 9 LYS N N 9 122.328 122.328 119.327 3.001 25448 4305 1 9 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.935 -0.062 25448 4306 1 9 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.952 0.199 25448 4307 1 9 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.887 -1.748 25448 4308 1 9 . 1 1 9 9 LYS H H 9 9.336 9.336 8.943 0.393 25448 4309 1 9 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.378 -0.455 25448 4310 1 9 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.292 0.242 25448 4311 1 9 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.586 0.043 25448 4312 1 9 . 1 1 11 11 GLY N N 11 112.758 112.758 114.549 -1.791 25448 4313 1 9 . 1 1 11 11 GLY CA C 11 45.182 45.182 45.201 -0.019 25448 4314 1 9 . 1 1 11 11 GLY H H 11 9.359 9.359 9.054 0.305 25448 4315 1 9 . 1 1 12 12 ASP N N 12 120.500 120.500 122.389 -1.889 25448 4316 1 9 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.835 0.035 25448 4317 1 9 . 1 1 12 12 ASP CA C 12 55.211 55.211 54.825 0.386 25448 4318 1 9 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.822 1.124 25448 4319 1 9 . 1 1 12 12 ASP H H 12 8.277 8.277 8.163 0.114 25448 4320 1 9 . 1 1 13 13 LEU N N 13 119.594 119.594 123.264 -3.670 25448 4321 1 9 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.986 -0.009 25448 4322 1 9 . 1 1 13 13 LEU CA C 13 53.989 53.989 53.940 0.049 25448 4323 1 9 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.053 -0.855 25448 4324 1 9 . 1 1 13 13 LEU H H 13 9.103 9.103 8.693 0.410 25448 4325 1 9 . 1 1 14 14 ILE N N 14 121.352 121.352 124.902 -3.550 25448 4326 1 9 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.735 -0.125 25448 4327 1 9 . 1 1 14 14 ILE CA C 14 58.178 58.178 60.566 -2.388 25448 4328 1 9 . 1 1 14 14 ILE CB C 14 39.213 39.213 39.900 -0.687 25448 4329 1 9 . 1 1 14 14 ILE H H 14 9.221 9.221 9.386 -0.165 25448 4330 1 9 . 1 1 15 15 GLU N N 15 129.555 129.555 127.963 1.592 25448 4331 1 9 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.696 -1.478 25448 4332 1 9 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.274 0.174 25448 4333 1 9 . 1 1 15 15 GLU CB C 15 31.783 31.783 32.857 -1.074 25448 4334 1 9 . 1 1 15 15 GLU H H 15 8.625 8.625 9.268 -0.643 25448 4335 1 9 . 1 1 16 16 ILE N N 16 125.258 125.258 125.058 0.200 25448 4336 1 9 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.692 -0.583 25448 4337 1 9 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.559 0.941 25448 4338 1 9 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.742 -0.341 25448 4339 1 9 . 1 1 16 16 ILE H H 16 8.557 8.557 8.617 -0.060 25448 4340 1 9 . 1 1 17 17 PHE N N 17 127.058 127.058 127.595 -0.537 25448 4341 1 9 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.693 -0.191 25448 4342 1 9 . 1 1 17 17 PHE CA C 17 58.939 58.939 58.439 0.500 25448 4343 1 9 . 1 1 17 17 PHE CB C 17 37.496 37.496 39.563 -2.067 25448 4344 1 9 . 1 1 17 17 PHE H H 17 8.500 8.500 8.984 -0.484 25448 4345 1 9 . 1 1 18 18 ARG N N 18 124.569 124.569 121.776 2.793 25448 4346 1 9 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.678 -0.028 25448 4347 1 9 . 1 1 18 18 ARG CA C 18 54.596 54.596 54.168 0.428 25448 4348 1 9 . 1 1 18 18 ARG CB C 18 30.206 30.206 33.640 -3.434 25448 4349 1 9 . 1 1 18 18 ARG H H 18 7.686 7.686 8.466 -0.780 25448 4350 1 9 . 1 1 19 19 LEU N N 19 121.049 121.049 122.998 -1.949 25448 4351 1 9 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.211 0.213 25448 4352 1 9 . 1 1 19 19 LEU CA C 19 56.123 56.123 55.958 0.165 25448 4353 1 9 . 1 1 19 19 LEU CB C 19 40.296 40.296 41.379 -1.083 25448 4354 1 9 . 1 1 19 19 LEU H H 19 8.103 8.103 8.572 -0.469 25448 4355 1 9 . 1 1 20 20 GLY N N 20 115.623 115.623 113.949 1.674 25448 4356 1 9 . 1 1 20 20 GLY CA C 20 45.736 45.736 44.660 1.076 25448 4357 1 9 . 1 1 20 20 GLY H H 20 8.686 8.686 8.548 0.138 25448 4358 1 9 . 1 1 21 21 TYR N N 21 115.905 115.905 124.812 -8.907 25448 4359 1 9 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.557 0.203 25448 4360 1 9 . 1 1 21 21 TYR CA C 21 56.507 56.507 57.958 -1.451 25448 4361 1 9 . 1 1 21 21 TYR CB C 21 38.631 38.631 39.252 -0.621 25448 4362 1 9 . 1 1 21 21 TYR H H 21 7.433 7.433 8.552 -1.119 25448 4363 1 9 . 1 1 22 22 GLU N N 22 116.649 116.649 120.087 -3.438 25448 4364 1 9 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.382 0.778 25448 4365 1 9 . 1 1 22 22 GLU CA C 22 56.255 56.255 56.725 -0.470 25448 4366 1 9 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.278 1.889 25448 4367 1 9 . 1 1 22 22 GLU H H 22 8.139 8.139 8.551 -0.412 25448 4368 1 9 . 1 1 23 23 HIS N N 23 122.171 122.171 117.417 4.754 25448 4369 1 9 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.823 0.765 25448 4370 1 9 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.678 -0.518 25448 4371 1 9 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.376 0.994 25448 4372 1 9 . 1 1 23 23 HIS H H 23 8.943 8.943 8.427 0.516 25448 4373 1 9 . 1 1 24 24 TRP N N 24 124.412 124.412 118.851 5.561 25448 4374 1 9 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.624 0.073 25448 4375 1 9 . 1 1 24 24 TRP CA C 24 55.906 55.906 55.849 0.057 25448 4376 1 9 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.676 -1.520 25448 4377 1 9 . 1 1 24 24 TRP H H 24 6.764 6.764 7.861 -1.097 25448 4378 1 9 . 1 1 25 25 ALA N N 25 121.149 121.149 120.852 0.297 25448 4379 1 9 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.123 -0.262 25448 4380 1 9 . 1 1 25 25 ALA CA C 25 50.352 50.352 50.923 -0.571 25448 4381 1 9 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.349 -0.396 25448 4382 1 9 . 1 1 25 25 ALA H H 25 9.336 9.336 9.239 0.097 25448 4383 1 9 . 1 1 26 26 LEU N N 26 122.472 122.472 122.997 -0.525 25448 4384 1 9 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.210 0.050 25448 4385 1 9 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.953 0.688 25448 4386 1 9 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.709 1.712 25448 4387 1 9 . 1 1 26 26 LEU H H 26 8.835 8.835 8.997 -0.162 25448 4388 1 9 . 1 1 27 27 TYR N N 27 128.215 128.215 128.994 -0.779 25448 4389 1 9 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.601 0.151 25448 4390 1 9 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.494 1.308 25448 4391 1 9 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.980 -1.310 25448 4392 1 9 . 1 1 27 27 TYR H H 27 9.750 9.750 9.002 0.748 25448 4393 1 9 . 1 1 28 28 ILE N N 28 119.796 119.796 121.907 -2.111 25448 4394 1 9 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.491 0.082 25448 4395 1 9 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.292 0.526 25448 4396 1 9 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.194 -0.294 25448 4397 1 9 . 1 1 28 28 ILE H H 28 8.196 8.196 7.840 0.356 25448 4398 1 9 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.170 -0.170 25448 4399 1 9 . 1 1 29 29 GLY H H 29 6.584 6.584 6.669 -0.085 25448 4400 1 9 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.304 0.118 25448 4401 1 9 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.067 0.573 25448 4402 1 9 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.230 0.023 25448 4403 1 9 . 1 1 30 30 ASP H H 30 6.837 6.837 8.810 -1.973 25448 4404 1 9 . 1 1 31 31 GLY N N 31 124.953 124.953 102.589 22.364 25448 4405 1 9 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.215 0.323 25448 4406 1 9 . 1 1 31 31 GLY H H 31 8.120 8.120 7.947 0.173 25448 4407 1 9 . 1 1 32 32 TYR N N 32 120.196 120.196 120.274 -0.078 25448 4408 1 9 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.262 -0.332 25448 4409 1 9 . 1 1 32 32 TYR CA C 32 58.788 58.788 57.895 0.893 25448 4410 1 9 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.835 1.160 25448 4411 1 9 . 1 1 32 32 TYR H H 32 7.843 7.843 7.687 0.156 25448 4412 1 9 . 1 1 33 33 VAL N N 33 109.892 109.892 114.747 -4.855 25448 4413 1 9 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.153 0.313 25448 4414 1 9 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.393 -1.933 25448 4415 1 9 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.800 -0.643 25448 4416 1 9 . 1 1 33 33 VAL H H 33 9.242 9.242 9.360 -0.118 25448 4417 1 9 . 1 1 34 34 ILE N N 34 119.424 119.424 121.497 -2.073 25448 4418 1 9 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.349 0.206 25448 4419 1 9 . 1 1 34 34 ILE CA C 34 60.331 60.331 59.976 0.355 25448 4420 1 9 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.518 0.414 25448 4421 1 9 . 1 1 34 34 ILE H H 34 9.084 9.084 9.002 0.082 25448 4422 1 9 . 1 1 35 35 HIS N N 35 123.118 123.118 120.619 2.499 25448 4423 1 9 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.356 -0.198 25448 4424 1 9 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.932 -0.714 25448 4425 1 9 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.199 2.801 25448 4426 1 9 . 1 1 35 35 HIS H H 35 9.110 9.110 9.035 0.075 25448 4427 1 9 . 1 1 36 36 LEU N N 36 123.704 123.704 120.873 2.831 25448 4428 1 9 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.824 -0.740 25448 4429 1 9 . 1 1 36 36 LEU CA C 36 53.682 53.682 54.266 -0.584 25448 4430 1 9 . 1 1 36 36 LEU CB C 36 41.631 41.631 44.083 -2.452 25448 4431 1 9 . 1 1 36 36 LEU H H 36 8.991 8.991 9.036 -0.045 25448 4432 1 9 . 1 1 37 37 ALA N N 37 129.765 129.765 125.066 4.699 25448 4433 1 9 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.949 -0.622 25448 4434 1 9 . 1 1 37 37 ALA CA C 37 49.698 49.698 49.191 0.507 25448 4435 1 9 . 1 1 37 37 ALA CB C 37 19.428 19.428 20.125 -0.697 25448 4436 1 9 . 1 1 37 37 ALA H H 37 8.050 8.050 8.792 -0.742 25448 4437 1 9 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.818 -0.814 25448 4438 1 9 . 1 1 38 38 PRO CA C 38 60.800 60.800 60.624 0.176 25448 4439 1 9 . 1 1 38 38 PRO CB C 38 30.528 30.528 32.037 -1.509 25448 4440 1 9 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.507 -0.133 25448 4441 1 9 . 1 1 39 39 PRO CA C 39 62.900 62.900 63.515 -0.615 25448 4442 1 9 . 1 1 39 39 PRO CB C 39 32.000 32.000 32.347 -0.347 25448 4443 1 9 . 1 1 40 40 SER N N 40 114.906 114.906 113.664 1.242 25448 4444 1 9 . 1 1 40 40 SER HA H 40 4.326 4.326 4.153 0.173 25448 4445 1 9 . 1 1 40 40 SER CA C 40 58.700 58.700 59.750 -1.050 25448 4446 1 9 . 1 1 40 40 SER CB C 40 64.004 64.004 62.703 1.301 25448 4447 1 9 . 1 1 40 40 SER H H 40 8.184 8.184 8.831 -0.647 25448 4448 1 9 . 1 1 41 41 GLU N N 41 121.221 121.221 120.057 1.164 25448 4449 1 9 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.592 -0.331 25448 4450 1 9 . 1 1 41 41 GLU CA C 41 56.424 56.424 55.651 0.773 25448 4451 1 9 . 1 1 41 41 GLU CB C 41 30.514 30.514 31.668 -1.154 25448 4452 1 9 . 1 1 41 41 GLU H H 41 8.401 8.401 7.706 0.695 25448 4453 1 9 . 1 1 42 42 TYR N N 42 121.900 121.900 124.742 -2.842 25448 4454 1 9 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.811 -0.031 25448 4455 1 9 . 1 1 42 42 TYR CA C 42 55.700 55.700 56.739 -1.039 25448 4456 1 9 . 1 1 42 42 TYR CB C 42 38.400 38.400 38.941 -0.541 25448 4457 1 9 . 1 1 42 42 TYR H H 42 8.117 8.117 8.592 -0.475 25448 4458 1 9 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.419 -0.016 25448 4459 1 9 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.937 0.543 25448 4460 1 9 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.764 -0.964 25448 4461 1 9 . 1 1 44 44 GLY N N 44 109.030 109.030 106.994 2.036 25448 4462 1 9 . 1 1 44 44 GLY CA C 44 45.244 45.244 44.492 0.752 25448 4463 1 9 . 1 1 44 44 GLY H H 44 8.001 8.001 8.154 -0.153 25448 4464 1 9 . 1 1 45 45 ALA N N 45 123.500 123.500 124.125 -0.625 25448 4465 1 9 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.379 -0.067 25448 4466 1 9 . 1 1 45 45 ALA CA C 45 52.853 52.853 53.224 -0.371 25448 4467 1 9 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.696 -0.374 25448 4468 1 9 . 1 1 45 45 ALA H H 45 8.082 8.082 8.672 -0.590 25448 4469 1 9 . 1 1 46 46 GLY N N 46 108.151 108.151 106.378 1.773 25448 4470 1 9 . 1 1 46 46 GLY CA C 46 45.460 45.460 45.330 0.130 25448 4471 1 9 . 1 1 46 46 GLY H H 46 8.408 8.408 7.625 0.783 25448 4472 1 9 . 1 1 48 48 SER N N 48 116.904 116.904 117.149 -0.245 25448 4473 1 9 . 1 1 48 48 SER HA H 48 4.700 4.700 4.271 0.429 25448 4474 1 9 . 1 1 48 48 SER H H 48 8.044 8.044 8.413 -0.369 25448 4475 1 9 . 1 1 49 49 SER HA H 49 4.456 4.456 4.494 -0.038 25448 4476 1 9 . 1 1 49 49 SER CA C 49 58.713 58.713 60.808 -2.095 25448 4477 1 9 . 1 1 49 49 SER CB C 49 64.000 64.000 63.457 0.543 25448 4478 1 9 . 1 1 50 50 VAL N N 50 120.352 120.352 116.451 3.901 25448 4479 1 9 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.932 0.101 25448 4480 1 9 . 1 1 50 50 VAL CA C 50 62.816 62.816 64.574 -1.758 25448 4481 1 9 . 1 1 50 50 VAL CB C 50 32.416 32.416 31.565 0.851 25448 4482 1 9 . 1 1 50 50 VAL H H 50 7.890 7.890 7.958 -0.068 25448 4483 1 9 . 1 1 51 51 PHE N N 51 121.600 121.600 120.358 1.242 25448 4484 1 9 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.805 -0.229 25448 4485 1 9 . 1 1 51 51 PHE CA C 51 58.198 58.198 59.489 -1.291 25448 4486 1 9 . 1 1 51 51 PHE CB C 51 39.470 39.470 41.807 -2.337 25448 4487 1 9 . 1 1 51 51 PHE H H 51 7.989 7.989 7.922 0.067 25448 4488 1 9 . 1 1 52 52 SER N N 52 116.521 116.521 118.255 -1.734 25448 4489 1 9 . 1 1 52 52 SER HA H 52 4.429 4.429 4.403 0.026 25448 4490 1 9 . 1 1 52 52 SER C C 52 174.445 174.445 174.608 -0.163 25448 4491 1 9 . 1 1 52 52 SER CA C 52 58.365 58.365 58.401 -0.036 25448 4492 1 9 . 1 1 52 52 SER CB C 52 64.018 64.018 62.342 1.676 25448 4493 1 9 . 1 1 52 52 SER H H 52 8.018 8.018 8.506 -0.488 25448 4494 1 9 . 1 1 53 53 VAL N N 53 120.571 120.571 119.670 0.901 25448 4495 1 9 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.224 -0.121 25448 4496 1 9 . 1 1 53 53 VAL CA C 53 62.979 62.979 63.099 -0.120 25448 4497 1 9 . 1 1 53 53 VAL CB C 53 32.416 32.416 32.289 0.127 25448 4498 1 9 . 1 1 53 53 VAL H H 53 7.959 7.959 7.905 0.054 25448 4499 1 9 . 1 1 54 54 LEU N N 54 123.703 123.703 126.795 -3.092 25448 4500 1 9 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.591 -0.225 25448 4501 1 9 . 1 1 54 54 LEU CA C 54 55.500 55.500 54.734 0.766 25448 4502 1 9 . 1 1 54 54 LEU CB C 54 42.293 42.293 45.575 -3.282 25448 4503 1 9 . 1 1 54 54 LEU H H 54 8.095 8.095 8.138 -0.043 25448 4504 1 9 . 1 1 55 55 SER N N 55 115.309 115.309 118.783 -3.474 25448 4505 1 9 . 1 1 55 55 SER HA H 55 4.399 4.399 4.417 -0.018 25448 4506 1 9 . 1 1 55 55 SER CA C 55 58.365 58.365 58.884 -0.519 25448 4507 1 9 . 1 1 55 55 SER CB C 55 64.110 64.110 63.470 0.640 25448 4508 1 9 . 1 1 55 55 SER H H 55 8.063 8.063 8.273 -0.210 25448 4509 1 9 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.866 0.052 25448 4510 1 9 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.172 -0.021 25448 4511 1 9 . 1 1 56 56 ASN CB C 56 39.339 39.339 40.162 -0.823 25448 4512 1 9 . 1 1 57 57 SER N N 57 115.102 115.102 114.757 0.345 25448 4513 1 9 . 1 1 57 57 SER HA H 57 4.694 4.694 5.305 -0.611 25448 4514 1 9 . 1 1 57 57 SER CA C 57 58.307 58.307 57.199 1.109 25448 4515 1 9 . 1 1 57 57 SER CB C 57 64.838 64.838 66.405 -1.567 25448 4516 1 9 . 1 1 57 57 SER H H 57 8.065 8.065 8.467 -0.402 25448 4517 1 9 . 1 1 58 58 ALA N N 58 125.610 125.610 123.864 1.746 25448 4518 1 9 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.882 -0.388 25448 4519 1 9 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.386 0.895 25448 4520 1 9 . 1 1 58 58 ALA CB C 58 22.479 22.479 22.085 0.394 25448 4521 1 9 . 1 1 58 58 ALA H H 58 8.548 8.548 9.094 -0.546 25448 4522 1 9 . 1 1 59 59 GLU N N 59 120.190 120.190 121.873 -1.683 25448 4523 1 9 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.015 0.018 25448 4524 1 9 . 1 1 59 59 GLU CA C 59 54.004 54.004 53.823 0.181 25448 4525 1 9 . 1 1 59 59 GLU CB C 59 34.292 34.292 32.724 1.568 25448 4526 1 9 . 1 1 59 59 GLU H H 59 8.116 8.116 8.482 -0.366 25448 4527 1 9 . 1 1 60 60 VAL N N 60 125.380 125.380 127.069 -1.689 25448 4528 1 9 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.108 0.230 25448 4529 1 9 . 1 1 60 60 VAL CA C 60 62.784 62.784 63.078 -0.294 25448 4530 1 9 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.496 -0.740 25448 4531 1 9 . 1 1 60 60 VAL H H 60 8.531 8.531 8.926 -0.395 25448 4532 1 9 . 1 1 61 61 LYS N N 61 129.548 129.548 127.279 2.269 25448 4533 1 9 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.725 0.175 25448 4534 1 9 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.267 1.317 25448 4535 1 9 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.047 0.987 25448 4536 1 9 . 1 1 61 61 LYS H H 61 9.068 9.068 8.781 0.287 25448 4537 1 9 . 1 1 62 62 ARG N N 62 123.653 123.653 123.021 0.632 25448 4538 1 9 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.092 0.610 25448 4539 1 9 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.603 -1.217 25448 4540 1 9 . 1 1 62 62 ARG CB C 62 31.958 31.958 31.810 0.148 25448 4541 1 9 . 1 1 62 62 ARG H H 62 8.749 8.749 8.616 0.133 25448 4542 1 9 . 1 1 63 63 GLU N N 63 125.033 125.033 125.305 -0.272 25448 4543 1 9 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.742 0.256 25448 4544 1 9 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.829 0.049 25448 4545 1 9 . 1 1 63 63 GLU CB C 63 36.983 36.983 33.900 3.083 25448 4546 1 9 . 1 1 63 63 GLU H H 63 8.973 8.973 9.353 -0.380 25448 4547 1 9 . 1 1 64 64 ARG N N 64 121.855 121.855 122.512 -0.657 25448 4548 1 9 . 1 1 64 64 ARG HA H 64 3.900 3.900 4.059 -0.159 25448 4549 1 9 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.565 0.335 25448 4550 1 9 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.244 -0.698 25448 4551 1 9 . 1 1 64 64 ARG H H 64 9.273 9.273 8.773 0.500 25448 4552 1 9 . 1 1 65 65 LEU N N 65 124.611 124.611 126.989 -2.378 25448 4553 1 9 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.868 -0.298 25448 4554 1 9 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.924 0.086 25448 4555 1 9 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.659 0.064 25448 4556 1 9 . 1 1 65 65 LEU H H 65 8.823 8.823 8.734 0.089 25448 4557 1 9 . 1 1 66 66 GLU N N 66 115.188 115.188 117.777 -2.589 25448 4558 1 9 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.767 0.068 25448 4559 1 9 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.408 0.246 25448 4560 1 9 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.582 0.578 25448 4561 1 9 . 1 1 66 66 GLU H H 66 9.360 9.360 8.697 0.663 25448 4562 1 9 . 1 1 67 67 ASP N N 67 118.590 118.590 118.271 0.319 25448 4563 1 9 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.377 0.083 25448 4564 1 9 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.680 -0.113 25448 4565 1 9 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.710 -0.040 25448 4566 1 9 . 1 1 67 67 ASP H H 67 6.806 6.806 7.994 -1.188 25448 4567 1 9 . 1 1 68 68 VAL N N 68 119.985 119.985 118.498 1.487 25448 4568 1 9 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.633 -0.017 25448 4569 1 9 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.302 -0.232 25448 4570 1 9 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.628 0.539 25448 4571 1 9 . 1 1 68 68 VAL H H 68 7.414 7.414 8.035 -0.621 25448 4572 1 9 . 1 1 69 69 VAL N N 69 116.972 116.972 113.085 3.887 25448 4573 1 9 . 1 1 69 69 VAL HA H 69 3.502 3.502 4.088 -0.586 25448 4574 1 9 . 1 1 69 69 VAL CA C 69 65.337 65.337 61.342 3.995 25448 4575 1 9 . 1 1 69 69 VAL CB C 69 32.036 32.036 30.372 1.665 25448 4576 1 9 . 1 1 69 69 VAL H H 69 8.261 8.261 8.141 0.120 25448 4577 1 9 . 1 1 70 70 GLY N N 70 107.311 107.311 109.351 -2.040 25448 4578 1 9 . 1 1 70 70 GLY CA C 70 47.610 47.610 45.664 1.946 25448 4579 1 9 . 1 1 70 70 GLY H H 70 7.395 7.395 7.107 0.288 25448 4580 1 9 . 1 1 71 71 GLY N N 71 110.582 110.582 113.600 -3.018 25448 4581 1 9 . 1 1 71 71 GLY CA C 71 45.176 45.176 45.459 -0.283 25448 4582 1 9 . 1 1 71 71 GLY H H 71 8.831 8.831 8.790 0.041 25448 4583 1 9 . 1 1 72 72 CYS N N 72 118.742 118.742 116.427 2.315 25448 4584 1 9 . 1 1 72 72 CYS HA H 72 4.498 4.498 5.103 -0.605 25448 4585 1 9 . 1 1 72 72 CYS CA C 72 60.154 60.154 57.791 2.363 25448 4586 1 9 . 1 1 72 72 CYS CB C 72 29.295 29.295 31.053 -1.758 25448 4587 1 9 . 1 1 72 72 CYS H H 72 7.613 7.613 7.795 -0.182 25448 4588 1 9 . 1 1 73 73 CYS N N 73 120.205 120.205 119.522 0.683 25448 4589 1 9 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.977 -0.446 25448 4590 1 9 . 1 1 73 73 CYS CA C 73 59.792 59.792 57.542 2.250 25448 4591 1 9 . 1 1 73 73 CYS CB C 73 28.046 28.046 30.411 -2.365 25448 4592 1 9 . 1 1 73 73 CYS H H 73 9.007 9.007 8.822 0.185 25448 4593 1 9 . 1 1 74 74 TYR N N 74 119.008 119.008 120.801 -1.793 25448 4594 1 9 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.628 -0.031 25448 4595 1 9 . 1 1 74 74 TYR CA C 74 55.590 55.590 55.809 -0.219 25448 4596 1 9 . 1 1 74 74 TYR CB C 74 41.876 41.876 42.208 -0.332 25448 4597 1 9 . 1 1 74 74 TYR H H 74 8.141 8.141 8.489 -0.348 25448 4598 1 9 . 1 1 75 75 ARG N N 75 115.457 115.457 116.765 -1.308 25448 4599 1 9 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.652 -0.013 25448 4600 1 9 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.855 -0.860 25448 4601 1 9 . 1 1 75 75 ARG CB C 75 33.235 33.235 33.812 -0.577 25448 4602 1 9 . 1 1 75 75 ARG H H 75 9.008 9.008 9.003 0.005 25448 4603 1 9 . 1 1 76 76 VAL N N 76 123.071 123.071 122.062 1.009 25448 4604 1 9 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.496 0.067 25448 4605 1 9 . 1 1 76 76 VAL CA C 76 62.968 62.968 61.709 1.259 25448 4606 1 9 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.122 -0.157 25448 4607 1 9 . 1 1 76 76 VAL H H 76 8.511 8.511 9.358 -0.847 25448 4608 1 9 . 1 1 77 77 ASN N N 77 126.125 126.125 126.045 0.080 25448 4609 1 9 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.825 0.030 25448 4610 1 9 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.421 -0.349 25448 4611 1 9 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.147 -0.507 25448 4612 1 9 . 1 1 77 77 ASN H H 77 8.824 8.824 9.060 -0.236 25448 4613 1 9 . 1 1 78 78 ASN N N 78 124.269 124.269 119.759 4.510 25448 4614 1 9 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.761 0.585 25448 4615 1 9 . 1 1 78 78 ASN CA C 78 52.124 52.124 52.125 -0.001 25448 4616 1 9 . 1 1 78 78 ASN CB C 78 36.948 36.948 37.289 -0.341 25448 4617 1 9 . 1 1 78 78 ASN H H 78 8.685 8.685 8.648 0.037 25448 4618 1 9 . 1 1 79 79 SER N N 79 117.959 117.959 118.434 -0.475 25448 4619 1 9 . 1 1 79 79 SER HA H 79 4.112 4.112 4.300 -0.188 25448 4620 1 9 . 1 1 79 79 SER CA C 79 62.669 62.669 60.457 2.212 25448 4621 1 9 . 1 1 79 79 SER CB C 79 63.727 63.727 63.509 0.218 25448 4622 1 9 . 1 1 79 79 SER H H 79 8.109 8.109 8.076 0.033 25448 4623 1 9 . 1 1 80 80 LEU N N 80 121.272 121.272 122.212 -0.940 25448 4624 1 9 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.125 0.345 25448 4625 1 9 . 1 1 80 80 LEU CA C 80 55.542 55.542 56.227 -0.685 25448 4626 1 9 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.140 0.360 25448 4627 1 9 . 1 1 80 80 LEU H H 80 7.947 7.947 7.957 -0.010 25448 4628 1 9 . 1 1 81 81 ASP N N 81 121.692 121.692 119.081 2.611 25448 4629 1 9 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.445 0.645 25448 4630 1 9 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.987 -0.383 25448 4631 1 9 . 1 1 81 81 ASP CB C 81 40.300 40.300 40.941 -0.641 25448 4632 1 9 . 1 1 81 81 ASP H H 81 8.294 8.294 8.146 0.148 25448 4633 1 9 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.518 -0.063 25448 4634 1 9 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.971 -0.071 25448 4635 1 9 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.742 -0.976 25448 4636 1 9 . 1 1 83 83 GLU N N 83 118.940 118.940 118.594 0.346 25448 4637 1 9 . 1 1 83 83 GLU HA H 83 4.153 4.153 3.990 0.163 25448 4638 1 9 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.088 -0.218 25448 4639 1 9 . 1 1 83 83 GLU CB C 83 32.422 32.422 30.379 2.043 25448 4640 1 9 . 1 1 83 83 GLU H H 83 7.476 7.476 7.785 -0.309 25448 4641 1 9 . 1 1 84 84 TYR N N 84 119.225 119.225 118.549 0.676 25448 4642 1 9 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.765 0.001 25448 4643 1 9 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.538 -1.615 25448 4644 1 9 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.748 1.476 25448 4645 1 9 . 1 1 84 84 TYR H H 84 8.207 8.207 7.768 0.439 25448 4646 1 9 . 1 1 85 85 GLN N N 85 119.667 119.667 120.763 -1.096 25448 4647 1 9 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.547 0.251 25448 4648 1 9 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.316 -1.113 25448 4649 1 9 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.421 0.945 25448 4650 1 9 . 1 1 85 85 GLN H H 85 8.264 8.264 8.649 -0.385 25448 4651 1 9 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.466 -0.044 25448 4652 1 9 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.214 -0.603 25448 4653 1 9 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.115 -0.265 25448 4654 1 9 . 1 1 87 87 ARG N N 87 121.150 121.150 124.074 -2.924 25448 4655 1 9 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.801 -0.396 25448 4656 1 9 . 1 1 87 87 ARG CA C 87 55.600 55.600 52.854 2.746 25448 4657 1 9 . 1 1 87 87 ARG CB C 87 29.301 29.301 29.648 -0.347 25448 4658 1 9 . 1 1 87 87 ARG H H 87 8.254 8.254 8.579 -0.325 25448 4659 1 9 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.583 -0.137 25448 4660 1 9 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.721 0.258 25448 4661 1 9 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.185 0.085 25448 4662 1 9 . 1 1 89 89 VAL N N 89 125.682 125.682 126.330 -0.648 25448 4663 1 9 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.604 -0.103 25448 4664 1 9 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.703 1.708 25448 4665 1 9 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.123 -0.488 25448 4666 1 9 . 1 1 89 89 VAL H H 89 8.678 8.678 8.492 0.186 25448 4667 1 9 . 1 1 90 90 GLU N N 90 117.092 117.092 118.761 -1.669 25448 4668 1 9 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.074 -0.047 25448 4669 1 9 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.313 0.702 25448 4670 1 9 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.788 -0.155 25448 4671 1 9 . 1 1 90 90 GLU H H 90 9.318 9.318 8.858 0.460 25448 4672 1 9 . 1 1 91 91 VAL N N 91 119.967 119.967 120.743 -0.776 25448 4673 1 9 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.742 0.122 25448 4674 1 9 . 1 1 91 91 VAL CA C 91 65.000 65.000 66.210 -1.210 25448 4675 1 9 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.529 0.372 25448 4676 1 9 . 1 1 91 91 VAL H H 91 7.153 7.153 7.820 -0.667 25448 4677 1 9 . 1 1 92 92 ILE N N 92 122.669 122.669 121.424 1.245 25448 4678 1 9 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.911 -0.601 25448 4679 1 9 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.394 1.317 25448 4680 1 9 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.837 0.726 25448 4681 1 9 . 1 1 92 92 ILE H H 92 8.004 8.004 7.347 0.657 25448 4682 1 9 . 1 1 93 93 ILE N N 93 115.049 115.049 120.100 -5.051 25448 4683 1 9 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.611 -0.079 25448 4684 1 9 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.606 -0.521 25448 4685 1 9 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.535 -0.372 25448 4686 1 9 . 1 1 93 93 ILE H H 93 8.305 8.305 8.267 0.038 25448 4687 1 9 . 1 1 94 94 SER N N 94 115.196 115.196 116.932 -1.736 25448 4688 1 9 . 1 1 94 94 SER HA H 94 4.101 4.101 4.074 0.027 25448 4689 1 9 . 1 1 94 94 SER CA C 94 62.300 62.300 62.565 -0.265 25448 4690 1 9 . 1 1 94 94 SER H H 94 7.927 7.927 8.326 -0.399 25448 4691 1 9 . 1 1 95 95 SER N N 95 117.891 117.891 118.033 -0.142 25448 4692 1 9 . 1 1 95 95 SER HA H 95 4.209 4.209 4.087 0.122 25448 4693 1 9 . 1 1 95 95 SER CA C 95 62.100 62.100 61.882 0.218 25448 4694 1 9 . 1 1 95 95 SER CB C 95 62.714 62.714 62.816 -0.101 25448 4695 1 9 . 1 1 95 95 SER H H 95 8.174 8.174 8.430 -0.256 25448 4696 1 9 . 1 1 96 96 ALA N N 96 123.830 123.830 124.338 -0.508 25448 4697 1 9 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.056 -0.165 25448 4698 1 9 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.482 -0.206 25448 4699 1 9 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.258 1.690 25448 4700 1 9 . 1 1 96 96 ALA H H 96 8.110 8.110 8.182 -0.072 25448 4701 1 9 . 1 1 97 97 LYS N N 97 115.893 115.893 117.575 -1.682 25448 4702 1 9 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.975 -0.167 25448 4703 1 9 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.526 0.823 25448 4704 1 9 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.397 0.301 25448 4705 1 9 . 1 1 97 97 LYS H H 97 8.218 8.218 8.208 0.010 25448 4706 1 9 . 1 1 98 98 GLU N N 98 117.006 117.006 116.767 0.239 25448 4707 1 9 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.113 0.027 25448 4708 1 9 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.092 0.130 25448 4709 1 9 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.738 0.038 25448 4710 1 9 . 1 1 98 98 GLU H H 98 7.474 7.474 8.027 -0.553 25448 4711 1 9 . 1 1 99 99 MET N N 99 114.572 114.572 117.123 -2.551 25448 4712 1 9 . 1 1 99 99 MET HA H 99 4.533 4.533 4.372 0.162 25448 4713 1 9 . 1 1 99 99 MET CA C 99 55.292 55.292 55.788 -0.496 25448 4714 1 9 . 1 1 99 99 MET CB C 99 33.777 33.777 33.392 0.385 25448 4715 1 9 . 1 1 99 99 MET H H 99 7.378 7.378 8.003 -0.625 25448 4716 1 9 . 1 1 100 100 VAL N N 100 119.104 119.104 118.443 0.661 25448 4717 1 9 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.634 -0.368 25448 4718 1 9 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.106 0.941 25448 4719 1 9 . 1 1 100 100 VAL CB C 100 31.325 31.325 31.084 0.241 25448 4720 1 9 . 1 1 100 100 VAL H H 100 7.056 7.056 8.125 -1.069 25448 4721 1 9 . 1 1 101 101 GLY N N 101 116.779 116.779 114.750 2.029 25448 4722 1 9 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.813 -0.162 25448 4723 1 9 . 1 1 101 101 GLY H H 101 8.979 8.979 8.743 0.236 25448 4724 1 9 . 1 1 102 102 GLN N N 102 119.990 119.990 119.892 0.098 25448 4725 1 9 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.502 -0.305 25448 4726 1 9 . 1 1 102 102 GLN C C 102 174.994 174.994 174.826 0.168 25448 4727 1 9 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.515 1.148 25448 4728 1 9 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.342 -1.406 25448 4729 1 9 . 1 1 102 102 GLN H H 102 8.103 8.103 7.903 0.200 25448 4730 1 9 . 1 1 103 103 LYS N N 103 120.261 120.261 122.051 -1.790 25448 4731 1 9 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.337 -0.071 25448 4732 1 9 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.232 -0.590 25448 4733 1 9 . 1 1 103 103 LYS CB C 103 34.196 34.196 35.192 -0.996 25448 4734 1 9 . 1 1 103 103 LYS H H 103 8.310 8.310 8.449 -0.139 25448 4735 1 9 . 1 1 104 104 MET N N 104 119.868 119.868 120.528 -0.660 25448 4736 1 9 . 1 1 104 104 MET HA H 104 4.692 4.692 4.926 -0.234 25448 4737 1 9 . 1 1 104 104 MET CA C 104 54.276 54.276 54.423 -0.147 25448 4738 1 9 . 1 1 104 104 MET CB C 104 36.831 36.831 37.670 -0.839 25448 4739 1 9 . 1 1 104 104 MET H H 104 8.556 8.556 8.933 -0.377 25448 4740 1 9 . 1 1 105 105 LYS N N 105 120.932 120.932 120.221 0.711 25448 4741 1 9 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.743 -0.377 25448 4742 1 9 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.112 0.988 25448 4743 1 9 . 1 1 105 105 LYS CB C 105 32.890 32.890 33.524 -0.634 25448 4744 1 9 . 1 1 105 105 LYS H H 105 8.257 8.257 8.333 -0.076 25448 4745 1 9 . 1 1 106 106 TYR N N 106 122.600 122.600 116.904 5.696 25448 4746 1 9 . 1 1 106 106 TYR HA H 106 4.418 4.418 5.067 -0.649 25448 4747 1 9 . 1 1 106 106 TYR CA C 106 56.726 56.726 56.588 0.138 25448 4748 1 9 . 1 1 106 106 TYR CB C 106 38.561 38.561 40.408 -1.847 25448 4749 1 9 . 1 1 106 106 TYR H H 106 8.378 8.378 7.545 0.833 25448 4750 1 9 . 1 1 107 107 SER N N 107 116.904 116.904 115.206 1.698 25448 4751 1 9 . 1 1 107 107 SER CA C 107 56.717 56.717 56.466 0.251 25448 4752 1 9 . 1 1 107 107 SER CB C 107 63.983 63.983 65.665 -1.682 25448 4753 1 9 . 1 1 107 107 SER H H 107 8.044 8.044 9.347 -1.303 25448 4754 1 9 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.743 0.270 25448 4755 1 9 . 1 1 109 109 VAL CA C 109 64.307 64.307 63.542 0.765 25448 4756 1 9 . 1 1 109 109 VAL CB C 109 32.000 32.000 31.750 0.250 25448 4757 1 9 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.013 0.359 25448 4758 1 9 . 1 1 111 111 ARG CA C 111 57.100 57.100 56.798 0.302 25448 4759 1 9 . 1 1 111 111 ARG CB C 111 28.110 28.110 27.423 0.687 25448 4760 1 9 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.288 0.200 25448 4761 1 9 . 1 1 113 113 CYS CA C 113 61.609 61.609 62.929 -1.320 25448 4762 1 9 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.189 -0.390 25448 4763 1 9 . 1 1 114 114 GLU N N 114 125.287 125.287 121.273 4.014 25448 4764 1 9 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.415 0.024 25448 4765 1 9 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.262 -0.593 25448 4766 1 9 . 1 1 114 114 GLU CB C 114 30.058 30.058 28.455 1.603 25448 4767 1 9 . 1 1 114 114 GLU H H 114 7.720 7.720 7.916 -0.196 25448 4768 1 9 . 1 1 115 115 HIS N N 115 119.008 119.008 120.830 -1.822 25448 4769 1 9 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.228 0.169 25448 4770 1 9 . 1 1 115 115 HIS CA C 115 58.460 58.460 59.524 -1.064 25448 4771 1 9 . 1 1 115 115 HIS CB C 115 30.061 30.061 30.108 -0.047 25448 4772 1 9 . 1 1 115 115 HIS H H 115 8.051 8.051 7.704 0.347 25448 4773 1 9 . 1 1 116 116 PHE N N 116 117.059 117.059 120.897 -3.838 25448 4774 1 9 . 1 1 116 116 PHE HA H 116 4.348 4.348 3.969 0.379 25448 4775 1 9 . 1 1 116 116 PHE CA C 116 61.077 61.077 60.981 0.096 25448 4776 1 9 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.738 0.860 25448 4777 1 9 . 1 1 116 116 PHE H H 116 8.168 8.168 8.558 -0.390 25448 4778 1 9 . 1 1 117 117 VAL N N 117 107.857 107.857 114.435 -6.578 25448 4779 1 9 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.079 0.786 25448 4780 1 9 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.471 -0.880 25448 4781 1 9 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.286 -0.713 25448 4782 1 9 . 1 1 117 117 VAL H H 117 7.080 7.080 8.136 -1.056 25448 4783 1 9 . 1 1 118 118 THR N N 118 117.382 117.382 113.324 4.058 25448 4784 1 9 . 1 1 118 118 THR HA H 118 4.046 4.046 3.955 0.091 25448 4785 1 9 . 1 1 118 118 THR CA C 118 66.745 66.745 65.590 1.155 25448 4786 1 9 . 1 1 118 118 THR CB C 118 68.185 68.185 68.409 -0.224 25448 4787 1 9 . 1 1 118 118 THR H H 118 8.465 8.465 7.966 0.499 25448 4788 1 9 . 1 1 119 119 GLN N N 119 121.900 121.900 120.717 1.183 25448 4789 1 9 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.030 -0.145 25448 4790 1 9 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.324 0.678 25448 4791 1 9 . 1 1 119 119 GLN CB C 119 27.611 27.611 27.731 -0.120 25448 4792 1 9 . 1 1 119 119 GLN H H 119 8.074 8.074 8.063 0.011 25448 4793 1 9 . 1 1 120 120 LEU N N 120 117.899 117.899 117.929 -0.030 25448 4794 1 9 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.920 -0.085 25448 4795 1 9 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.758 -0.331 25448 4796 1 9 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.041 1.193 25448 4797 1 9 . 1 1 120 120 LEU H H 120 6.829 6.829 7.341 -0.512 25448 4798 1 9 . 1 1 121 121 ARG N N 121 117.250 117.250 118.541 -1.291 25448 4799 1 9 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.060 -0.140 25448 4800 1 9 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.676 0.367 25448 4801 1 9 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.841 -0.585 25448 4802 1 9 . 1 1 121 121 ARG H H 121 7.677 7.677 7.637 0.040 25448 4803 1 9 . 1 1 122 122 TYR N N 122 111.508 111.508 118.101 -6.593 25448 4804 1 9 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.111 0.529 25448 4805 1 9 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.218 -1.696 25448 4806 1 9 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.644 1.030 25448 4807 1 9 . 1 1 122 122 TYR H H 122 8.114 8.114 8.318 -0.204 25448 4808 1 9 . 1 1 123 123 GLY N N 123 109.399 109.399 105.635 3.764 25448 4809 1 9 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.997 0.344 25448 4810 1 9 . 1 1 123 123 GLY H H 123 8.032 8.032 7.870 0.162 25448 4811 1 9 . 1 1 124 124 LYS N N 124 117.936 117.936 118.500 -0.564 25448 4812 1 9 . 1 1 124 124 LYS HA H 124 4.352 4.352 3.965 0.387 25448 4813 1 9 . 1 1 124 124 LYS CA C 124 55.200 55.200 56.819 -1.619 25448 4814 1 9 . 1 1 124 124 LYS CB C 124 33.998 33.998 30.411 3.587 25448 4815 1 9 . 1 1 124 124 LYS H H 124 7.402 7.402 7.909 -0.507 25448 4816 1 10 . 1 1 3 3 SER N N 3 113.812 113.812 116.778 -2.966 25448 4817 1 10 . 1 1 3 3 SER HA H 3 4.697 4.697 5.012 -0.315 25448 4818 1 10 . 1 1 3 3 SER CA C 3 58.996 58.996 57.353 1.643 25448 4819 1 10 . 1 1 3 3 SER CB C 3 63.800 63.800 63.345 0.455 25448 4820 1 10 . 1 1 3 3 SER H H 3 7.587 7.587 8.707 -1.120 25448 4821 1 10 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.631 -0.218 25448 4822 1 10 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.145 0.209 25448 4823 1 10 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.708 -0.808 25448 4824 1 10 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.803 -0.246 25448 4825 1 10 . 1 1 5 5 HIS CA C 5 56.230 56.230 55.602 0.628 25448 4826 1 10 . 1 1 5 5 HIS CB C 5 30.500 30.500 32.672 -2.172 25448 4827 1 10 . 1 1 5 5 HIS H H 5 6.984 6.984 8.809 -1.825 25448 4828 1 10 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.419 -0.131 25448 4829 1 10 . 1 1 6 6 GLN CA C 6 55.174 55.174 55.051 0.123 25448 4830 1 10 . 1 1 6 6 GLN CB C 6 30.042 30.042 32.114 -2.072 25448 4831 1 10 . 1 1 7 7 GLU N N 7 124.477 124.477 123.600 0.877 25448 4832 1 10 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.633 -0.144 25448 4833 1 10 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.579 0.532 25448 4834 1 10 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.330 -1.418 25448 4835 1 10 . 1 1 7 7 GLU H H 7 8.353 8.353 8.457 -0.104 25448 4836 1 10 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.524 -0.180 25448 4837 1 10 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.358 0.040 25448 4838 1 10 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.417 -1.017 25448 4839 1 10 . 1 1 9 9 LYS N N 9 122.328 122.328 120.153 2.175 25448 4840 1 10 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.875 -0.002 25448 4841 1 10 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.884 0.267 25448 4842 1 10 . 1 1 9 9 LYS CB C 9 32.139 32.139 34.053 -1.914 25448 4843 1 10 . 1 1 9 9 LYS H H 9 9.336 9.336 8.863 0.473 25448 4844 1 10 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.382 -0.459 25448 4845 1 10 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.521 0.013 25448 4846 1 10 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.562 0.067 25448 4847 1 10 . 1 1 11 11 GLY N N 11 112.758 112.758 114.606 -1.848 25448 4848 1 10 . 1 1 11 11 GLY CA C 11 45.182 45.182 44.914 0.268 25448 4849 1 10 . 1 1 11 11 GLY H H 11 9.359 9.359 9.099 0.260 25448 4850 1 10 . 1 1 12 12 ASP N N 12 120.500 120.500 122.076 -1.576 25448 4851 1 10 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.884 -0.014 25448 4852 1 10 . 1 1 12 12 ASP CA C 12 55.211 55.211 55.072 0.139 25448 4853 1 10 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.245 1.700 25448 4854 1 10 . 1 1 12 12 ASP H H 12 8.277 8.277 7.952 0.325 25448 4855 1 10 . 1 1 13 13 LEU N N 13 119.594 119.594 123.540 -3.946 25448 4856 1 10 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.960 0.017 25448 4857 1 10 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.627 -0.638 25448 4858 1 10 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.814 -1.616 25448 4859 1 10 . 1 1 13 13 LEU H H 13 9.103 9.103 9.150 -0.047 25448 4860 1 10 . 1 1 14 14 ILE N N 14 121.352 121.352 124.686 -3.334 25448 4861 1 10 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.989 -0.379 25448 4862 1 10 . 1 1 14 14 ILE CA C 14 58.178 58.178 60.008 -1.831 25448 4863 1 10 . 1 1 14 14 ILE CB C 14 39.213 39.213 40.513 -1.300 25448 4864 1 10 . 1 1 14 14 ILE H H 14 9.221 9.221 9.376 -0.155 25448 4865 1 10 . 1 1 15 15 GLU N N 15 129.555 129.555 126.225 3.330 25448 4866 1 10 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.199 -0.981 25448 4867 1 10 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.659 -0.211 25448 4868 1 10 . 1 1 15 15 GLU CB C 15 31.783 31.783 31.841 -0.058 25448 4869 1 10 . 1 1 15 15 GLU H H 15 8.625 8.625 9.144 -0.519 25448 4870 1 10 . 1 1 16 16 ILE N N 16 125.258 125.258 121.119 4.139 25448 4871 1 10 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.306 -0.197 25448 4872 1 10 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.735 0.765 25448 4873 1 10 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.310 0.091 25448 4874 1 10 . 1 1 16 16 ILE H H 16 8.557 8.557 8.464 0.093 25448 4875 1 10 . 1 1 17 17 PHE N N 17 127.058 127.058 127.131 -0.073 25448 4876 1 10 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.609 -0.107 25448 4877 1 10 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.566 2.373 25448 4878 1 10 . 1 1 17 17 PHE CB C 17 37.496 37.496 36.614 0.882 25448 4879 1 10 . 1 1 17 17 PHE H H 17 8.500 8.500 8.586 -0.086 25448 4880 1 10 . 1 1 18 18 ARG N N 18 124.569 124.569 120.110 4.459 25448 4881 1 10 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.103 0.547 25448 4882 1 10 . 1 1 18 18 ARG CA C 18 54.596 54.596 55.486 -0.890 25448 4883 1 10 . 1 1 18 18 ARG CB C 18 30.206 30.206 30.587 -0.381 25448 4884 1 10 . 1 1 18 18 ARG H H 18 7.686 7.686 7.445 0.241 25448 4885 1 10 . 1 1 19 19 LEU N N 19 121.049 121.049 123.764 -2.715 25448 4886 1 10 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.216 0.208 25448 4887 1 10 . 1 1 19 19 LEU CA C 19 56.123 56.123 56.030 0.093 25448 4888 1 10 . 1 1 19 19 LEU CB C 19 40.296 40.296 42.172 -1.876 25448 4889 1 10 . 1 1 19 19 LEU H H 19 8.103 8.103 8.522 -0.419 25448 4890 1 10 . 1 1 20 20 GLY N N 20 115.623 115.623 112.846 2.777 25448 4891 1 10 . 1 1 20 20 GLY CA C 20 45.736 45.736 44.899 0.837 25448 4892 1 10 . 1 1 20 20 GLY H H 20 8.686 8.686 8.266 0.420 25448 4893 1 10 . 1 1 21 21 TYR N N 21 115.905 115.905 125.529 -9.624 25448 4894 1 10 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.477 0.283 25448 4895 1 10 . 1 1 21 21 TYR CA C 21 56.507 56.507 58.286 -1.779 25448 4896 1 10 . 1 1 21 21 TYR CB C 21 38.631 38.631 39.050 -0.419 25448 4897 1 10 . 1 1 21 21 TYR H H 21 7.433 7.433 8.622 -1.189 25448 4898 1 10 . 1 1 22 22 GLU N N 22 116.649 116.649 120.764 -4.115 25448 4899 1 10 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.334 0.826 25448 4900 1 10 . 1 1 22 22 GLU CA C 22 56.255 56.255 57.101 -0.846 25448 4901 1 10 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.298 1.869 25448 4902 1 10 . 1 1 22 22 GLU H H 22 8.139 8.139 8.698 -0.559 25448 4903 1 10 . 1 1 23 23 HIS N N 23 122.171 122.171 116.595 5.576 25448 4904 1 10 . 1 1 23 23 HIS HA H 23 5.588 5.588 5.083 0.505 25448 4905 1 10 . 1 1 23 23 HIS CA C 23 54.161 54.161 55.005 -0.844 25448 4906 1 10 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.644 0.726 25448 4907 1 10 . 1 1 23 23 HIS H H 23 8.943 8.943 8.566 0.377 25448 4908 1 10 . 1 1 24 24 TRP N N 24 124.412 124.412 118.859 5.553 25448 4909 1 10 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.601 0.096 25448 4910 1 10 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.481 -0.575 25448 4911 1 10 . 1 1 24 24 TRP CB C 24 33.156 33.156 35.111 -1.955 25448 4912 1 10 . 1 1 24 24 TRP H H 24 6.764 6.764 9.017 -2.253 25448 4913 1 10 . 1 1 25 25 ALA N N 25 121.149 121.149 121.779 -0.630 25448 4914 1 10 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.371 -0.510 25448 4915 1 10 . 1 1 25 25 ALA CA C 25 50.352 50.352 50.675 -0.323 25448 4916 1 10 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.466 -0.513 25448 4917 1 10 . 1 1 25 25 ALA H H 25 9.336 9.336 9.352 -0.016 25448 4918 1 10 . 1 1 26 26 LEU N N 26 122.472 122.472 123.159 -0.687 25448 4919 1 10 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.302 -0.042 25448 4920 1 10 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.725 0.916 25448 4921 1 10 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.797 1.624 25448 4922 1 10 . 1 1 26 26 LEU H H 26 8.835 8.835 8.942 -0.107 25448 4923 1 10 . 1 1 27 27 TYR N N 27 128.215 128.215 128.991 -0.776 25448 4924 1 10 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.697 0.055 25448 4925 1 10 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.774 1.028 25448 4926 1 10 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.882 -1.212 25448 4927 1 10 . 1 1 27 27 TYR H H 27 9.750 9.750 9.227 0.523 25448 4928 1 10 . 1 1 28 28 ILE N N 28 119.796 119.796 121.569 -1.773 25448 4929 1 10 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.528 0.045 25448 4930 1 10 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.400 0.418 25448 4931 1 10 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.334 -0.434 25448 4932 1 10 . 1 1 28 28 ILE H H 28 8.196 8.196 8.041 0.155 25448 4933 1 10 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.180 -0.180 25448 4934 1 10 . 1 1 29 29 GLY H H 29 6.584 6.584 6.788 -0.204 25448 4935 1 10 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.315 0.107 25448 4936 1 10 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.179 0.461 25448 4937 1 10 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.177 0.076 25448 4938 1 10 . 1 1 30 30 ASP H H 30 6.837 6.837 8.896 -2.059 25448 4939 1 10 . 1 1 31 31 GLY N N 31 124.953 124.953 102.490 22.463 25448 4940 1 10 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.175 0.363 25448 4941 1 10 . 1 1 31 31 GLY H H 31 8.120 8.120 7.858 0.262 25448 4942 1 10 . 1 1 32 32 TYR N N 32 120.196 120.196 121.089 -0.893 25448 4943 1 10 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.092 -0.162 25448 4944 1 10 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.525 0.263 25448 4945 1 10 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.194 1.801 25448 4946 1 10 . 1 1 32 32 TYR H H 32 7.843 7.843 7.713 0.130 25448 4947 1 10 . 1 1 33 33 VAL N N 33 109.892 109.892 114.711 -4.819 25448 4948 1 10 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.118 0.348 25448 4949 1 10 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.502 -2.042 25448 4950 1 10 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.711 -0.554 25448 4951 1 10 . 1 1 33 33 VAL H H 33 9.242 9.242 9.316 -0.074 25448 4952 1 10 . 1 1 34 34 ILE N N 34 119.424 119.424 121.882 -2.458 25448 4953 1 10 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.215 0.340 25448 4954 1 10 . 1 1 34 34 ILE CA C 34 60.331 60.331 59.943 0.388 25448 4955 1 10 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.617 0.315 25448 4956 1 10 . 1 1 34 34 ILE H H 34 9.084 9.084 9.035 0.049 25448 4957 1 10 . 1 1 35 35 HIS N N 35 123.118 123.118 121.031 2.087 25448 4958 1 10 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.355 -0.197 25448 4959 1 10 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.462 -0.243 25448 4960 1 10 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.749 2.251 25448 4961 1 10 . 1 1 35 35 HIS H H 35 9.110 9.110 9.090 0.020 25448 4962 1 10 . 1 1 36 36 LEU N N 36 123.704 123.704 123.805 -0.101 25448 4963 1 10 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.482 -0.398 25448 4964 1 10 . 1 1 36 36 LEU CA C 36 53.682 53.682 54.201 -0.519 25448 4965 1 10 . 1 1 36 36 LEU CB C 36 41.631 41.631 43.147 -1.516 25448 4966 1 10 . 1 1 36 36 LEU H H 36 8.991 8.991 8.750 0.241 25448 4967 1 10 . 1 1 37 37 ALA N N 37 129.765 129.765 130.148 -0.383 25448 4968 1 10 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.884 -0.557 25448 4969 1 10 . 1 1 37 37 ALA CA C 37 49.698 49.698 49.131 0.567 25448 4970 1 10 . 1 1 37 37 ALA CB C 37 19.428 19.428 19.830 -0.402 25448 4971 1 10 . 1 1 37 37 ALA H H 37 8.050 8.050 8.886 -0.836 25448 4972 1 10 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.227 -0.223 25448 4973 1 10 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.171 -0.371 25448 4974 1 10 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.176 -0.648 25448 4975 1 10 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.520 -0.146 25448 4976 1 10 . 1 1 39 39 PRO CA C 39 62.900 62.900 61.664 1.236 25448 4977 1 10 . 1 1 39 39 PRO CB C 39 32.000 32.000 33.267 -1.267 25448 4978 1 10 . 1 1 40 40 SER N N 40 114.906 114.906 116.904 -1.998 25448 4979 1 10 . 1 1 40 40 SER HA H 40 4.326 4.326 4.353 -0.027 25448 4980 1 10 . 1 1 40 40 SER CA C 40 58.700 58.700 58.104 0.596 25448 4981 1 10 . 1 1 40 40 SER CB C 40 64.004 64.004 64.061 -0.057 25448 4982 1 10 . 1 1 40 40 SER H H 40 8.184 8.184 8.354 -0.170 25448 4983 1 10 . 1 1 41 41 GLU N N 41 121.221 121.221 123.342 -2.121 25448 4984 1 10 . 1 1 41 41 GLU HA H 41 4.261 4.261 3.850 0.411 25448 4985 1 10 . 1 1 41 41 GLU CA C 41 56.424 56.424 57.906 -1.482 25448 4986 1 10 . 1 1 41 41 GLU CB C 41 30.514 30.514 29.560 0.954 25448 4987 1 10 . 1 1 41 41 GLU H H 41 8.401 8.401 8.709 -0.308 25448 4988 1 10 . 1 1 42 42 TYR N N 42 121.900 121.900 114.600 7.300 25448 4989 1 10 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.560 0.220 25448 4990 1 10 . 1 1 42 42 TYR CA C 42 55.700 55.700 54.888 0.812 25448 4991 1 10 . 1 1 42 42 TYR CB C 42 38.400 38.400 39.442 -1.042 25448 4992 1 10 . 1 1 42 42 TYR H H 42 8.117 8.117 7.371 0.746 25448 4993 1 10 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.441 -0.038 25448 4994 1 10 . 1 1 43 43 PRO CA C 43 63.480 63.480 63.597 -0.117 25448 4995 1 10 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.801 -1.001 25448 4996 1 10 . 1 1 44 44 GLY N N 44 109.030 109.030 108.544 0.486 25448 4997 1 10 . 1 1 44 44 GLY CA C 44 45.244 45.244 44.389 0.855 25448 4998 1 10 . 1 1 44 44 GLY H H 44 8.001 8.001 7.784 0.217 25448 4999 1 10 . 1 1 45 45 ALA N N 45 123.500 123.500 121.003 2.497 25448 5000 1 10 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.525 -0.213 25448 5001 1 10 . 1 1 45 45 ALA CA C 45 52.853 52.853 51.941 0.912 25448 5002 1 10 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.484 -0.162 25448 5003 1 10 . 1 1 45 45 ALA H H 45 8.082 8.082 8.229 -0.147 25448 5004 1 10 . 1 1 46 46 GLY N N 46 108.151 108.151 106.809 1.342 25448 5005 1 10 . 1 1 46 46 GLY CA C 46 45.460 45.460 44.413 1.047 25448 5006 1 10 . 1 1 46 46 GLY H H 46 8.408 8.408 7.834 0.574 25448 5007 1 10 . 1 1 48 48 SER N N 48 116.904 116.904 117.545 -0.641 25448 5008 1 10 . 1 1 48 48 SER HA H 48 4.700 4.700 4.325 0.375 25448 5009 1 10 . 1 1 48 48 SER H H 48 8.044 8.044 7.720 0.324 25448 5010 1 10 . 1 1 49 49 SER HA H 49 4.456 4.456 4.022 0.434 25448 5011 1 10 . 1 1 49 49 SER CA C 49 58.713 58.713 60.788 -2.075 25448 5012 1 10 . 1 1 49 49 SER CB C 49 64.000 64.000 62.154 1.846 25448 5013 1 10 . 1 1 50 50 VAL N N 50 120.352 120.352 121.225 -0.873 25448 5014 1 10 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.835 0.198 25448 5015 1 10 . 1 1 50 50 VAL CA C 50 62.816 62.816 65.252 -2.436 25448 5016 1 10 . 1 1 50 50 VAL CB C 50 32.416 32.416 31.603 0.813 25448 5017 1 10 . 1 1 50 50 VAL H H 50 7.890 7.890 8.016 -0.126 25448 5018 1 10 . 1 1 51 51 PHE N N 51 121.600 121.600 119.118 2.482 25448 5019 1 10 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.409 0.167 25448 5020 1 10 . 1 1 51 51 PHE CA C 51 58.198 58.198 58.880 -0.682 25448 5021 1 10 . 1 1 51 51 PHE CB C 51 39.470 39.470 38.395 1.075 25448 5022 1 10 . 1 1 51 51 PHE H H 51 7.989 7.989 7.842 0.147 25448 5023 1 10 . 1 1 52 52 SER N N 52 116.521 116.521 113.933 2.588 25448 5024 1 10 . 1 1 52 52 SER HA H 52 4.429 4.429 4.521 -0.092 25448 5025 1 10 . 1 1 52 52 SER C C 52 174.445 174.445 175.074 -0.629 25448 5026 1 10 . 1 1 52 52 SER CA C 52 58.365 58.365 59.023 -0.658 25448 5027 1 10 . 1 1 52 52 SER CB C 52 64.018 64.018 64.423 -0.405 25448 5028 1 10 . 1 1 52 52 SER H H 52 8.018 8.018 7.989 0.029 25448 5029 1 10 . 1 1 53 53 VAL N N 53 120.571 120.571 120.820 -0.249 25448 5030 1 10 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.256 -0.153 25448 5031 1 10 . 1 1 53 53 VAL CA C 53 62.979 62.979 62.431 0.548 25448 5032 1 10 . 1 1 53 53 VAL CB C 53 32.416 32.416 35.138 -2.722 25448 5033 1 10 . 1 1 53 53 VAL H H 53 7.959 7.959 7.378 0.581 25448 5034 1 10 . 1 1 54 54 LEU N N 54 123.703 123.703 128.480 -4.777 25448 5035 1 10 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.483 -0.117 25448 5036 1 10 . 1 1 54 54 LEU CA C 54 55.500 55.500 56.049 -0.549 25448 5037 1 10 . 1 1 54 54 LEU CB C 54 42.293 42.293 41.679 0.614 25448 5038 1 10 . 1 1 54 54 LEU H H 54 8.095 8.095 8.684 -0.589 25448 5039 1 10 . 1 1 55 55 SER N N 55 115.309 115.309 115.833 -0.524 25448 5040 1 10 . 1 1 55 55 SER HA H 55 4.399 4.399 4.164 0.235 25448 5041 1 10 . 1 1 55 55 SER CA C 55 58.365 58.365 60.870 -2.505 25448 5042 1 10 . 1 1 55 55 SER CB C 55 64.110 64.110 62.605 1.504 25448 5043 1 10 . 1 1 55 55 SER H H 55 8.063 8.063 8.555 -0.492 25448 5044 1 10 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.656 0.262 25448 5045 1 10 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.305 -0.154 25448 5046 1 10 . 1 1 56 56 ASN CB C 56 39.339 39.339 37.649 1.690 25448 5047 1 10 . 1 1 57 57 SER N N 57 115.102 115.102 116.004 -0.902 25448 5048 1 10 . 1 1 57 57 SER HA H 57 4.694 4.694 4.524 0.170 25448 5049 1 10 . 1 1 57 57 SER CA C 57 58.307 58.307 57.920 0.387 25448 5050 1 10 . 1 1 57 57 SER CB C 57 64.838 64.838 65.115 -0.277 25448 5051 1 10 . 1 1 57 57 SER H H 57 8.065 8.065 7.606 0.459 25448 5052 1 10 . 1 1 58 58 ALA N N 58 125.610 125.610 124.823 0.787 25448 5053 1 10 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.526 -0.032 25448 5054 1 10 . 1 1 58 58 ALA CA C 58 51.281 51.281 51.357 -0.076 25448 5055 1 10 . 1 1 58 58 ALA CB C 58 22.479 22.479 20.354 2.126 25448 5056 1 10 . 1 1 58 58 ALA H H 58 8.548 8.548 8.633 -0.085 25448 5057 1 10 . 1 1 59 59 GLU N N 59 120.190 120.190 121.989 -1.799 25448 5058 1 10 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.033 0.000 25448 5059 1 10 . 1 1 59 59 GLU CA C 59 54.004 54.004 53.903 0.101 25448 5060 1 10 . 1 1 59 59 GLU CB C 59 34.292 34.292 33.727 0.565 25448 5061 1 10 . 1 1 59 59 GLU H H 59 8.116 8.116 8.049 0.067 25448 5062 1 10 . 1 1 60 60 VAL N N 60 125.380 125.380 126.436 -1.056 25448 5063 1 10 . 1 1 60 60 VAL HA H 60 4.338 4.338 3.916 0.422 25448 5064 1 10 . 1 1 60 60 VAL CA C 60 62.784 62.784 62.902 -0.118 25448 5065 1 10 . 1 1 60 60 VAL CB C 60 30.756 30.756 30.466 0.290 25448 5066 1 10 . 1 1 60 60 VAL H H 60 8.531 8.531 8.849 -0.318 25448 5067 1 10 . 1 1 61 61 LYS N N 61 129.548 129.548 126.480 3.068 25448 5068 1 10 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.637 0.263 25448 5069 1 10 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.288 1.296 25448 5070 1 10 . 1 1 61 61 LYS CB C 61 38.034 38.034 36.984 1.050 25448 5071 1 10 . 1 1 61 61 LYS H H 61 9.068 9.068 8.746 0.322 25448 5072 1 10 . 1 1 62 62 ARG N N 62 123.653 123.653 122.260 1.393 25448 5073 1 10 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.330 0.372 25448 5074 1 10 . 1 1 62 62 ARG CA C 62 54.386 54.386 54.925 -0.538 25448 5075 1 10 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.373 -0.415 25448 5076 1 10 . 1 1 62 62 ARG H H 62 8.749 8.749 8.530 0.219 25448 5077 1 10 . 1 1 63 63 GLU N N 63 125.033 125.033 123.929 1.104 25448 5078 1 10 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.800 0.198 25448 5079 1 10 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.846 0.032 25448 5080 1 10 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.065 2.918 25448 5081 1 10 . 1 1 63 63 GLU H H 63 8.973 8.973 9.219 -0.246 25448 5082 1 10 . 1 1 64 64 ARG N N 64 121.855 121.855 119.856 1.999 25448 5083 1 10 . 1 1 64 64 ARG HA H 64 3.900 3.900 3.937 -0.037 25448 5084 1 10 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.831 0.069 25448 5085 1 10 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.198 -0.652 25448 5086 1 10 . 1 1 64 64 ARG H H 64 9.273 9.273 8.561 0.712 25448 5087 1 10 . 1 1 65 65 LEU N N 65 124.611 124.611 126.667 -2.056 25448 5088 1 10 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.831 -0.261 25448 5089 1 10 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.694 0.316 25448 5090 1 10 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.960 -0.237 25448 5091 1 10 . 1 1 65 65 LEU H H 65 8.823 8.823 8.877 -0.054 25448 5092 1 10 . 1 1 66 66 GLU N N 66 115.188 115.188 118.845 -3.657 25448 5093 1 10 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.718 0.117 25448 5094 1 10 . 1 1 66 66 GLU CA C 66 59.654 59.654 60.122 -0.468 25448 5095 1 10 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.692 0.468 25448 5096 1 10 . 1 1 66 66 GLU H H 66 9.360 9.360 8.789 0.571 25448 5097 1 10 . 1 1 67 67 ASP N N 67 118.590 118.590 118.504 0.086 25448 5098 1 10 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.373 0.087 25448 5099 1 10 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.904 -0.337 25448 5100 1 10 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.480 0.190 25448 5101 1 10 . 1 1 67 67 ASP H H 67 6.806 6.806 8.246 -1.440 25448 5102 1 10 . 1 1 68 68 VAL N N 68 119.985 119.985 118.457 1.528 25448 5103 1 10 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.659 -0.043 25448 5104 1 10 . 1 1 68 68 VAL CA C 68 65.070 65.070 64.826 0.244 25448 5105 1 10 . 1 1 68 68 VAL CB C 68 32.167 32.167 32.110 0.057 25448 5106 1 10 . 1 1 68 68 VAL H H 68 7.414 7.414 7.764 -0.350 25448 5107 1 10 . 1 1 69 69 VAL N N 69 116.972 116.972 113.007 3.965 25448 5108 1 10 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.686 -0.184 25448 5109 1 10 . 1 1 69 69 VAL CA C 69 65.337 65.337 63.096 2.241 25448 5110 1 10 . 1 1 69 69 VAL CB C 69 32.036 32.036 31.223 0.813 25448 5111 1 10 . 1 1 69 69 VAL H H 69 8.261 8.261 8.041 0.220 25448 5112 1 10 . 1 1 70 70 GLY N N 70 107.311 107.311 110.994 -3.683 25448 5113 1 10 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.468 1.141 25448 5114 1 10 . 1 1 70 70 GLY H H 70 7.395 7.395 8.137 -0.742 25448 5115 1 10 . 1 1 71 71 GLY N N 71 110.582 110.582 109.699 0.883 25448 5116 1 10 . 1 1 71 71 GLY CA C 71 45.176 45.176 44.597 0.579 25448 5117 1 10 . 1 1 71 71 GLY H H 71 8.831 8.831 8.401 0.430 25448 5118 1 10 . 1 1 72 72 CYS N N 72 118.742 118.742 118.611 0.131 25448 5119 1 10 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.449 0.049 25448 5120 1 10 . 1 1 72 72 CYS CA C 72 60.154 60.154 58.615 1.538 25448 5121 1 10 . 1 1 72 72 CYS CB C 72 29.295 29.295 27.485 1.810 25448 5122 1 10 . 1 1 72 72 CYS H H 72 7.613 7.613 7.625 -0.012 25448 5123 1 10 . 1 1 73 73 CYS N N 73 120.205 120.205 123.026 -2.821 25448 5124 1 10 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.457 0.074 25448 5125 1 10 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.845 -0.053 25448 5126 1 10 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.697 -0.651 25448 5127 1 10 . 1 1 73 73 CYS H H 73 9.007 9.007 8.953 0.054 25448 5128 1 10 . 1 1 74 74 TYR N N 74 119.008 119.008 120.641 -1.633 25448 5129 1 10 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.439 0.158 25448 5130 1 10 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.502 -0.912 25448 5131 1 10 . 1 1 74 74 TYR CB C 74 41.876 41.876 40.529 1.347 25448 5132 1 10 . 1 1 74 74 TYR H H 74 8.141 8.141 8.326 -0.185 25448 5133 1 10 . 1 1 75 75 ARG N N 75 115.457 115.457 118.130 -2.673 25448 5134 1 10 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.638 0.001 25448 5135 1 10 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.877 -0.881 25448 5136 1 10 . 1 1 75 75 ARG CB C 75 33.235 33.235 34.190 -0.955 25448 5137 1 10 . 1 1 75 75 ARG H H 75 9.008 9.008 8.993 0.015 25448 5138 1 10 . 1 1 76 76 VAL N N 76 123.071 123.071 121.566 1.505 25448 5139 1 10 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.462 0.101 25448 5140 1 10 . 1 1 76 76 VAL CA C 76 62.968 62.968 62.501 0.467 25448 5141 1 10 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.379 -0.414 25448 5142 1 10 . 1 1 76 76 VAL H H 76 8.511 8.511 8.462 0.049 25448 5143 1 10 . 1 1 77 77 ASN N N 77 126.125 126.125 125.620 0.505 25448 5144 1 10 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.921 -0.066 25448 5145 1 10 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.723 -0.651 25448 5146 1 10 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.718 -1.077 25448 5147 1 10 . 1 1 77 77 ASN H H 77 8.824 8.824 9.244 -0.420 25448 5148 1 10 . 1 1 78 78 ASN N N 78 124.269 124.269 124.330 -0.061 25448 5149 1 10 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.794 0.552 25448 5150 1 10 . 1 1 78 78 ASN CA C 78 52.124 52.124 52.880 -0.756 25448 5151 1 10 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.870 0.078 25448 5152 1 10 . 1 1 78 78 ASN H H 78 8.685 8.685 8.854 -0.169 25448 5153 1 10 . 1 1 79 79 SER N N 79 117.959 117.959 115.891 2.068 25448 5154 1 10 . 1 1 79 79 SER HA H 79 4.112 4.112 4.030 0.082 25448 5155 1 10 . 1 1 79 79 SER CA C 79 62.669 62.669 60.832 1.837 25448 5156 1 10 . 1 1 79 79 SER CB C 79 63.727 63.727 63.308 0.419 25448 5157 1 10 . 1 1 79 79 SER H H 79 8.109 8.109 8.044 0.065 25448 5158 1 10 . 1 1 80 80 LEU N N 80 121.272 121.272 121.379 -0.107 25448 5159 1 10 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.003 0.467 25448 5160 1 10 . 1 1 80 80 LEU CA C 80 55.542 55.542 56.226 -0.684 25448 5161 1 10 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.232 0.268 25448 5162 1 10 . 1 1 80 80 LEU H H 80 7.947 7.947 7.800 0.147 25448 5163 1 10 . 1 1 81 81 ASP N N 81 121.692 121.692 119.291 2.401 25448 5164 1 10 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.456 0.634 25448 5165 1 10 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.554 0.050 25448 5166 1 10 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.288 -0.988 25448 5167 1 10 . 1 1 81 81 ASP H H 81 8.294 8.294 7.747 0.547 25448 5168 1 10 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.669 -0.214 25448 5169 1 10 . 1 1 82 82 HIS CA C 82 57.900 57.900 55.836 2.064 25448 5170 1 10 . 1 1 82 82 HIS CB C 82 29.766 29.766 29.163 0.603 25448 5171 1 10 . 1 1 83 83 GLU N N 83 118.940 118.940 118.917 0.023 25448 5172 1 10 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.103 0.050 25448 5173 1 10 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.357 -0.487 25448 5174 1 10 . 1 1 83 83 GLU CB C 83 32.422 32.422 31.458 0.964 25448 5175 1 10 . 1 1 83 83 GLU H H 83 7.476 7.476 7.768 -0.292 25448 5176 1 10 . 1 1 84 84 TYR N N 84 119.225 119.225 117.738 1.487 25448 5177 1 10 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.839 -0.073 25448 5178 1 10 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.190 -1.267 25448 5179 1 10 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.853 1.371 25448 5180 1 10 . 1 1 84 84 TYR H H 84 8.207 8.207 8.047 0.160 25448 5181 1 10 . 1 1 85 85 GLN N N 85 119.667 119.667 119.829 -0.162 25448 5182 1 10 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.485 0.313 25448 5183 1 10 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.679 -1.476 25448 5184 1 10 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.158 1.208 25448 5185 1 10 . 1 1 85 85 GLN H H 85 8.264 8.264 8.624 -0.360 25448 5186 1 10 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.427 -0.005 25448 5187 1 10 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.531 -0.920 25448 5188 1 10 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.195 -0.345 25448 5189 1 10 . 1 1 87 87 ARG N N 87 121.150 121.150 121.140 0.010 25448 5190 1 10 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.837 -0.432 25448 5191 1 10 . 1 1 87 87 ARG CA C 87 55.600 55.600 52.977 2.623 25448 5192 1 10 . 1 1 87 87 ARG CB C 87 29.301 29.301 31.026 -1.725 25448 5193 1 10 . 1 1 87 87 ARG H H 87 8.254 8.254 8.380 -0.126 25448 5194 1 10 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.575 -0.128 25448 5195 1 10 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.730 0.249 25448 5196 1 10 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.201 0.069 25448 5197 1 10 . 1 1 89 89 VAL N N 89 125.682 125.682 126.559 -0.877 25448 5198 1 10 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.624 -0.123 25448 5199 1 10 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.913 1.498 25448 5200 1 10 . 1 1 89 89 VAL CB C 89 31.635 31.635 31.507 0.128 25448 5201 1 10 . 1 1 89 89 VAL H H 89 8.678 8.678 8.578 0.100 25448 5202 1 10 . 1 1 90 90 GLU N N 90 117.092 117.092 119.492 -2.400 25448 5203 1 10 . 1 1 90 90 GLU HA H 90 4.027 4.027 3.998 0.029 25448 5204 1 10 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.468 0.547 25448 5205 1 10 . 1 1 90 90 GLU CB C 90 28.633 28.633 29.000 -0.367 25448 5206 1 10 . 1 1 90 90 GLU H H 90 9.318 9.318 8.983 0.335 25448 5207 1 10 . 1 1 91 91 VAL N N 91 119.967 119.967 119.967 0.000 25448 5208 1 10 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.730 0.134 25448 5209 1 10 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.627 -0.627 25448 5210 1 10 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.621 0.280 25448 5211 1 10 . 1 1 91 91 VAL H H 91 7.153 7.153 7.680 -0.527 25448 5212 1 10 . 1 1 92 92 ILE N N 92 122.669 122.669 121.737 0.932 25448 5213 1 10 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.888 -0.578 25448 5214 1 10 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.102 1.609 25448 5215 1 10 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.839 0.724 25448 5216 1 10 . 1 1 92 92 ILE H H 92 8.004 8.004 7.290 0.714 25448 5217 1 10 . 1 1 93 93 ILE N N 93 115.049 115.049 119.826 -4.777 25448 5218 1 10 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.658 -0.126 25448 5219 1 10 . 1 1 93 93 ILE CA C 93 65.085 65.085 62.535 2.550 25448 5220 1 10 . 1 1 93 93 ILE CB C 93 37.163 37.163 36.270 0.893 25448 5221 1 10 . 1 1 93 93 ILE H H 93 8.305 8.305 8.361 -0.056 25448 5222 1 10 . 1 1 94 94 SER N N 94 115.196 115.196 115.624 -0.428 25448 5223 1 10 . 1 1 94 94 SER HA H 94 4.101 4.101 4.010 0.091 25448 5224 1 10 . 1 1 94 94 SER CA C 94 62.300 62.300 61.891 0.409 25448 5225 1 10 . 1 1 94 94 SER H H 94 7.927 7.927 8.494 -0.567 25448 5226 1 10 . 1 1 95 95 SER N N 95 117.891 117.891 118.248 -0.357 25448 5227 1 10 . 1 1 95 95 SER HA H 95 4.209 4.209 4.133 0.076 25448 5228 1 10 . 1 1 95 95 SER CA C 95 62.100 62.100 62.087 0.013 25448 5229 1 10 . 1 1 95 95 SER CB C 95 62.714 62.714 62.856 -0.142 25448 5230 1 10 . 1 1 95 95 SER H H 95 8.174 8.174 8.181 -0.007 25448 5231 1 10 . 1 1 96 96 ALA N N 96 123.830 123.830 124.451 -0.621 25448 5232 1 10 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.074 -0.183 25448 5233 1 10 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.366 -0.090 25448 5234 1 10 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.317 1.631 25448 5235 1 10 . 1 1 96 96 ALA H H 96 8.110 8.110 8.372 -0.262 25448 5236 1 10 . 1 1 97 97 LYS N N 97 115.893 115.893 118.569 -2.676 25448 5237 1 10 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.996 -0.188 25448 5238 1 10 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.271 1.078 25448 5239 1 10 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.409 0.289 25448 5240 1 10 . 1 1 97 97 LYS H H 97 8.218 8.218 8.140 0.078 25448 5241 1 10 . 1 1 98 98 GLU N N 98 117.006 117.006 118.161 -1.155 25448 5242 1 10 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.091 0.049 25448 5243 1 10 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.456 -0.234 25448 5244 1 10 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.634 0.142 25448 5245 1 10 . 1 1 98 98 GLU H H 98 7.474 7.474 8.280 -0.806 25448 5246 1 10 . 1 1 99 99 MET N N 99 114.572 114.572 117.236 -2.664 25448 5247 1 10 . 1 1 99 99 MET HA H 99 4.533 4.533 4.371 0.162 25448 5248 1 10 . 1 1 99 99 MET CA C 99 55.292 55.292 55.712 -0.420 25448 5249 1 10 . 1 1 99 99 MET CB C 99 33.777 33.777 33.422 0.355 25448 5250 1 10 . 1 1 99 99 MET H H 99 7.378 7.378 8.112 -0.734 25448 5251 1 10 . 1 1 100 100 VAL N N 100 119.104 119.104 118.247 0.857 25448 5252 1 10 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.466 -0.200 25448 5253 1 10 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.009 1.038 25448 5254 1 10 . 1 1 100 100 VAL CB C 100 31.325 31.325 30.635 0.690 25448 5255 1 10 . 1 1 100 100 VAL H H 100 7.056 7.056 8.067 -1.011 25448 5256 1 10 . 1 1 101 101 GLY N N 101 116.779 116.779 115.597 1.182 25448 5257 1 10 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.758 -0.107 25448 5258 1 10 . 1 1 101 101 GLY H H 101 8.979 8.979 8.740 0.239 25448 5259 1 10 . 1 1 102 102 GLN N N 102 119.990 119.990 120.060 -0.070 25448 5260 1 10 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.472 -0.275 25448 5261 1 10 . 1 1 102 102 GLN C C 102 174.994 174.994 174.824 0.170 25448 5262 1 10 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.719 0.944 25448 5263 1 10 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.235 -1.299 25448 5264 1 10 . 1 1 102 102 GLN H H 102 8.103 8.103 8.038 0.065 25448 5265 1 10 . 1 1 103 103 LYS N N 103 120.261 120.261 121.868 -1.607 25448 5266 1 10 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.260 0.006 25448 5267 1 10 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.197 -0.555 25448 5268 1 10 . 1 1 103 103 LYS CB C 103 34.196 34.196 35.390 -1.194 25448 5269 1 10 . 1 1 103 103 LYS H H 103 8.310 8.310 8.430 -0.120 25448 5270 1 10 . 1 1 104 104 MET N N 104 119.868 119.868 119.426 0.442 25448 5271 1 10 . 1 1 104 104 MET HA H 104 4.692 4.692 4.816 -0.124 25448 5272 1 10 . 1 1 104 104 MET CA C 104 54.276 54.276 54.375 -0.099 25448 5273 1 10 . 1 1 104 104 MET CB C 104 36.831 36.831 37.747 -0.916 25448 5274 1 10 . 1 1 104 104 MET H H 104 8.556 8.556 8.918 -0.362 25448 5275 1 10 . 1 1 105 105 LYS N N 105 120.932 120.932 120.093 0.839 25448 5276 1 10 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.239 0.127 25448 5277 1 10 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.311 0.789 25448 5278 1 10 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.919 -0.029 25448 5279 1 10 . 1 1 105 105 LYS H H 105 8.257 8.257 8.247 0.010 25448 5280 1 10 . 1 1 106 106 TYR N N 106 122.600 122.600 123.373 -0.773 25448 5281 1 10 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.387 0.031 25448 5282 1 10 . 1 1 106 106 TYR CA C 106 56.726 56.726 58.357 -1.631 25448 5283 1 10 . 1 1 106 106 TYR CB C 106 38.561 38.561 39.539 -0.979 25448 5284 1 10 . 1 1 106 106 TYR H H 106 8.378 8.378 8.232 0.146 25448 5285 1 10 . 1 1 107 107 SER N N 107 116.904 116.904 116.503 0.401 25448 5286 1 10 . 1 1 107 107 SER CA C 107 56.717 56.717 58.895 -2.178 25448 5287 1 10 . 1 1 107 107 SER CB C 107 63.983 63.983 62.990 0.993 25448 5288 1 10 . 1 1 107 107 SER H H 107 8.044 8.044 7.509 0.535 25448 5289 1 10 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.729 0.284 25448 5290 1 10 . 1 1 109 109 VAL CA C 109 64.307 64.307 65.879 -1.572 25448 5291 1 10 . 1 1 109 109 VAL CB C 109 32.000 32.000 30.727 1.273 25448 5292 1 10 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.398 -0.026 25448 5293 1 10 . 1 1 111 111 ARG CA C 111 57.100 57.100 55.606 1.494 25448 5294 1 10 . 1 1 111 111 ARG CB C 111 28.110 28.110 30.459 -2.349 25448 5295 1 10 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.183 0.305 25448 5296 1 10 . 1 1 113 113 CYS CA C 113 61.609 61.609 64.260 -2.651 25448 5297 1 10 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.311 -0.511 25448 5298 1 10 . 1 1 114 114 GLU N N 114 125.287 125.287 120.711 4.576 25448 5299 1 10 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.445 -0.006 25448 5300 1 10 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.464 -0.795 25448 5301 1 10 . 1 1 114 114 GLU CB C 114 30.058 30.058 28.449 1.609 25448 5302 1 10 . 1 1 114 114 GLU H H 114 7.720 7.720 8.327 -0.607 25448 5303 1 10 . 1 1 115 115 HIS N N 115 119.008 119.008 120.059 -1.051 25448 5304 1 10 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.186 0.211 25448 5305 1 10 . 1 1 115 115 HIS CA C 115 58.460 58.460 58.688 -0.228 25448 5306 1 10 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.837 0.225 25448 5307 1 10 . 1 1 115 115 HIS H H 115 8.051 8.051 7.812 0.239 25448 5308 1 10 . 1 1 116 116 PHE N N 116 117.059 117.059 120.605 -3.546 25448 5309 1 10 . 1 1 116 116 PHE HA H 116 4.348 4.348 3.989 0.359 25448 5310 1 10 . 1 1 116 116 PHE CA C 116 61.077 61.077 60.579 0.498 25448 5311 1 10 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.900 0.698 25448 5312 1 10 . 1 1 116 116 PHE H H 116 8.168 8.168 8.349 -0.181 25448 5313 1 10 . 1 1 117 117 VAL N N 117 107.857 107.857 115.087 -7.230 25448 5314 1 10 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.095 0.770 25448 5315 1 10 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.057 -0.466 25448 5316 1 10 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.549 -0.976 25448 5317 1 10 . 1 1 117 117 VAL H H 117 7.080 7.080 7.695 -0.615 25448 5318 1 10 . 1 1 118 118 THR N N 118 117.382 117.382 113.527 3.855 25448 5319 1 10 . 1 1 118 118 THR HA H 118 4.046 4.046 3.860 0.186 25448 5320 1 10 . 1 1 118 118 THR CA C 118 66.745 66.745 66.377 0.368 25448 5321 1 10 . 1 1 118 118 THR CB C 118 68.185 68.185 68.154 0.031 25448 5322 1 10 . 1 1 118 118 THR H H 118 8.465 8.465 8.196 0.269 25448 5323 1 10 . 1 1 119 119 GLN N N 119 121.900 121.900 120.948 0.952 25448 5324 1 10 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.127 -0.242 25448 5325 1 10 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.592 0.410 25448 5326 1 10 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.162 -0.551 25448 5327 1 10 . 1 1 119 119 GLN H H 119 8.074 8.074 7.498 0.576 25448 5328 1 10 . 1 1 120 120 LEU N N 120 117.899 117.899 117.742 0.157 25448 5329 1 10 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.916 -0.081 25448 5330 1 10 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.435 -0.008 25448 5331 1 10 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.237 0.997 25448 5332 1 10 . 1 1 120 120 LEU H H 120 6.829 6.829 7.208 -0.379 25448 5333 1 10 . 1 1 121 121 ARG N N 121 117.250 117.250 118.218 -0.968 25448 5334 1 10 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.107 -0.187 25448 5335 1 10 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.596 0.447 25448 5336 1 10 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.705 -0.449 25448 5337 1 10 . 1 1 121 121 ARG H H 121 7.677 7.677 7.611 0.066 25448 5338 1 10 . 1 1 122 122 TYR N N 122 111.508 111.508 121.127 -9.619 25448 5339 1 10 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.102 0.538 25448 5340 1 10 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.228 -1.706 25448 5341 1 10 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.387 1.287 25448 5342 1 10 . 1 1 122 122 TYR H H 122 8.114 8.114 8.544 -0.430 25448 5343 1 10 . 1 1 123 123 GLY N N 123 109.399 109.399 104.470 4.929 25448 5344 1 10 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.883 0.458 25448 5345 1 10 . 1 1 123 123 GLY H H 123 8.032 8.032 7.642 0.390 25448 5346 1 10 . 1 1 124 124 LYS N N 124 117.936 117.936 121.406 -3.470 25448 5347 1 10 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.383 -0.031 25448 5348 1 10 . 1 1 124 124 LYS CA C 124 55.200 55.200 54.914 0.286 25448 5349 1 10 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.752 1.246 25448 5350 1 10 . 1 1 124 124 LYS H H 124 7.402 7.402 7.445 -0.043 25448 5351 1 11 . 1 1 3 3 SER N N 3 113.812 113.812 116.962 -3.150 25448 5352 1 11 . 1 1 3 3 SER HA H 3 4.697 4.697 4.508 0.189 25448 5353 1 11 . 1 1 3 3 SER CA C 3 58.996 58.996 57.320 1.676 25448 5354 1 11 . 1 1 3 3 SER CB C 3 63.800 63.800 63.364 0.436 25448 5355 1 11 . 1 1 3 3 SER H H 3 7.587 7.587 8.270 -0.683 25448 5356 1 11 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.690 -0.277 25448 5357 1 11 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.161 0.193 25448 5358 1 11 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.419 -0.519 25448 5359 1 11 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.755 -0.198 25448 5360 1 11 . 1 1 5 5 HIS CA C 5 56.230 56.230 56.214 0.016 25448 5361 1 11 . 1 1 5 5 HIS CB C 5 30.500 30.500 30.903 -0.403 25448 5362 1 11 . 1 1 5 5 HIS H H 5 6.984 6.984 8.609 -1.625 25448 5363 1 11 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.368 -0.080 25448 5364 1 11 . 1 1 6 6 GLN CA C 6 55.174 55.174 55.043 0.131 25448 5365 1 11 . 1 1 6 6 GLN CB C 6 30.042 30.042 31.316 -1.274 25448 5366 1 11 . 1 1 7 7 GLU N N 7 124.477 124.477 121.725 2.752 25448 5367 1 11 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.598 -0.109 25448 5368 1 11 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.029 1.082 25448 5369 1 11 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.922 -2.010 25448 5370 1 11 . 1 1 7 7 GLU H H 7 8.353 8.353 8.406 -0.053 25448 5371 1 11 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.540 -0.196 25448 5372 1 11 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.353 0.045 25448 5373 1 11 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.584 -1.185 25448 5374 1 11 . 1 1 9 9 LYS N N 9 122.328 122.328 120.015 2.313 25448 5375 1 11 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.940 -0.067 25448 5376 1 11 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.867 0.284 25448 5377 1 11 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.899 -1.760 25448 5378 1 11 . 1 1 9 9 LYS H H 9 9.336 9.336 8.906 0.430 25448 5379 1 11 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.365 -0.442 25448 5380 1 11 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.294 0.240 25448 5381 1 11 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.575 0.054 25448 5382 1 11 . 1 1 11 11 GLY N N 11 112.758 112.758 114.488 -1.730 25448 5383 1 11 . 1 1 11 11 GLY CA C 11 45.182 45.182 45.089 0.093 25448 5384 1 11 . 1 1 11 11 GLY H H 11 9.359 9.359 9.153 0.206 25448 5385 1 11 . 1 1 12 12 ASP N N 12 120.500 120.500 123.713 -3.213 25448 5386 1 11 . 1 1 12 12 ASP HA H 12 4.870 4.870 5.049 -0.179 25448 5387 1 11 . 1 1 12 12 ASP CA C 12 55.211 55.211 54.899 0.312 25448 5388 1 11 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.312 1.634 25448 5389 1 11 . 1 1 12 12 ASP H H 12 8.277 8.277 7.998 0.279 25448 5390 1 11 . 1 1 13 13 LEU N N 13 119.594 119.594 123.420 -3.826 25448 5391 1 11 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.840 0.137 25448 5392 1 11 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.758 -0.769 25448 5393 1 11 . 1 1 13 13 LEU CB C 13 41.198 41.198 41.568 -0.370 25448 5394 1 11 . 1 1 13 13 LEU H H 13 9.103 9.103 9.345 -0.242 25448 5395 1 11 . 1 1 14 14 ILE N N 14 121.352 121.352 123.990 -2.638 25448 5396 1 11 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.963 -0.353 25448 5397 1 11 . 1 1 14 14 ILE CA C 14 58.178 58.178 58.469 -0.291 25448 5398 1 11 . 1 1 14 14 ILE CB C 14 39.213 39.213 39.193 0.020 25448 5399 1 11 . 1 1 14 14 ILE H H 14 9.221 9.221 9.478 -0.257 25448 5400 1 11 . 1 1 15 15 GLU N N 15 129.555 129.555 127.921 1.634 25448 5401 1 11 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.331 -1.113 25448 5402 1 11 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.738 -0.290 25448 5403 1 11 . 1 1 15 15 GLU CB C 15 31.783 31.783 31.927 -0.144 25448 5404 1 11 . 1 1 15 15 GLU H H 15 8.625 8.625 9.257 -0.632 25448 5405 1 11 . 1 1 16 16 ILE N N 16 125.258 125.258 125.809 -0.551 25448 5406 1 11 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.641 -0.532 25448 5407 1 11 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.691 0.809 25448 5408 1 11 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.283 0.118 25448 5409 1 11 . 1 1 16 16 ILE H H 16 8.557 8.557 8.692 -0.135 25448 5410 1 11 . 1 1 17 17 PHE N N 17 127.058 127.058 127.200 -0.142 25448 5411 1 11 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.460 0.042 25448 5412 1 11 . 1 1 17 17 PHE CA C 17 58.939 58.939 57.026 1.913 25448 5413 1 11 . 1 1 17 17 PHE CB C 17 37.496 37.496 36.753 0.743 25448 5414 1 11 . 1 1 17 17 PHE H H 17 8.500 8.500 9.018 -0.518 25448 5415 1 11 . 1 1 18 18 ARG N N 18 124.569 124.569 120.513 4.056 25448 5416 1 11 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.104 0.546 25448 5417 1 11 . 1 1 18 18 ARG CA C 18 54.596 54.596 55.649 -1.053 25448 5418 1 11 . 1 1 18 18 ARG CB C 18 30.206 30.206 30.925 -0.719 25448 5419 1 11 . 1 1 18 18 ARG H H 18 7.686 7.686 7.561 0.125 25448 5420 1 11 . 1 1 19 19 LEU N N 19 121.049 121.049 124.853 -3.804 25448 5421 1 11 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.138 0.286 25448 5422 1 11 . 1 1 19 19 LEU CA C 19 56.123 56.123 55.830 0.293 25448 5423 1 11 . 1 1 19 19 LEU CB C 19 40.296 40.296 41.846 -1.550 25448 5424 1 11 . 1 1 19 19 LEU H H 19 8.103 8.103 8.623 -0.520 25448 5425 1 11 . 1 1 20 20 GLY N N 20 115.623 115.623 111.329 4.294 25448 5426 1 11 . 1 1 20 20 GLY CA C 20 45.736 45.736 45.897 -0.161 25448 5427 1 11 . 1 1 20 20 GLY H H 20 8.686 8.686 8.815 -0.129 25448 5428 1 11 . 1 1 21 21 TYR N N 21 115.905 115.905 122.520 -6.615 25448 5429 1 11 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.752 0.008 25448 5430 1 11 . 1 1 21 21 TYR CA C 21 56.507 56.507 56.758 -0.251 25448 5431 1 11 . 1 1 21 21 TYR CB C 21 38.631 38.631 41.403 -2.772 25448 5432 1 11 . 1 1 21 21 TYR H H 21 7.433 7.433 7.818 -0.385 25448 5433 1 11 . 1 1 22 22 GLU N N 22 116.649 116.649 122.228 -5.579 25448 5434 1 11 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.320 0.840 25448 5435 1 11 . 1 1 22 22 GLU CA C 22 56.255 56.255 57.398 -1.143 25448 5436 1 11 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.096 2.071 25448 5437 1 11 . 1 1 22 22 GLU H H 22 8.139 8.139 8.710 -0.571 25448 5438 1 11 . 1 1 23 23 HIS N N 23 122.171 122.171 117.755 4.416 25448 5439 1 11 . 1 1 23 23 HIS HA H 23 5.588 5.588 5.089 0.499 25448 5440 1 11 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.154 0.007 25448 5441 1 11 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.764 0.606 25448 5442 1 11 . 1 1 23 23 HIS H H 23 8.943 8.943 8.653 0.290 25448 5443 1 11 . 1 1 24 24 TRP N N 24 124.412 124.412 118.540 5.872 25448 5444 1 11 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.662 0.035 25448 5445 1 11 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.488 -0.582 25448 5446 1 11 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.768 -1.612 25448 5447 1 11 . 1 1 24 24 TRP H H 24 6.764 6.764 8.996 -2.232 25448 5448 1 11 . 1 1 25 25 ALA N N 25 121.149 121.149 122.147 -0.998 25448 5449 1 11 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.326 -0.465 25448 5450 1 11 . 1 1 25 25 ALA CA C 25 50.352 50.352 50.658 -0.306 25448 5451 1 11 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.512 -0.559 25448 5452 1 11 . 1 1 25 25 ALA H H 25 9.336 9.336 9.362 -0.026 25448 5453 1 11 . 1 1 26 26 LEU N N 26 122.472 122.472 122.485 -0.013 25448 5454 1 11 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.337 -0.077 25448 5455 1 11 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.755 0.886 25448 5456 1 11 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.960 1.461 25448 5457 1 11 . 1 1 26 26 LEU H H 26 8.835 8.835 8.990 -0.155 25448 5458 1 11 . 1 1 27 27 TYR N N 27 128.215 128.215 129.034 -0.819 25448 5459 1 11 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.776 -0.024 25448 5460 1 11 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.411 1.391 25448 5461 1 11 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.968 -1.298 25448 5462 1 11 . 1 1 27 27 TYR H H 27 9.750 9.750 9.255 0.495 25448 5463 1 11 . 1 1 28 28 ILE N N 28 119.796 119.796 122.022 -2.226 25448 5464 1 11 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.513 0.060 25448 5465 1 11 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.260 0.558 25448 5466 1 11 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.007 -0.106 25448 5467 1 11 . 1 1 28 28 ILE H H 28 8.196 8.196 8.047 0.149 25448 5468 1 11 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.328 -0.328 25448 5469 1 11 . 1 1 29 29 GLY H H 29 6.584 6.584 6.737 -0.153 25448 5470 1 11 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.314 0.108 25448 5471 1 11 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.059 0.581 25448 5472 1 11 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.196 0.057 25448 5473 1 11 . 1 1 30 30 ASP H H 30 6.837 6.837 8.835 -1.998 25448 5474 1 11 . 1 1 31 31 GLY N N 31 124.953 124.953 102.464 22.489 25448 5475 1 11 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.215 0.323 25448 5476 1 11 . 1 1 31 31 GLY H H 31 8.120 8.120 7.845 0.275 25448 5477 1 11 . 1 1 32 32 TYR N N 32 120.196 120.196 121.272 -1.076 25448 5478 1 11 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.036 -0.106 25448 5479 1 11 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.764 0.024 25448 5480 1 11 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.120 1.875 25448 5481 1 11 . 1 1 32 32 TYR H H 32 7.843 7.843 7.644 0.199 25448 5482 1 11 . 1 1 33 33 VAL N N 33 109.892 109.892 115.097 -5.205 25448 5483 1 11 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.200 0.266 25448 5484 1 11 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.558 -2.098 25448 5485 1 11 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.552 -0.395 25448 5486 1 11 . 1 1 33 33 VAL H H 33 9.242 9.242 9.358 -0.116 25448 5487 1 11 . 1 1 34 34 ILE N N 34 119.424 119.424 122.437 -3.013 25448 5488 1 11 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.181 0.374 25448 5489 1 11 . 1 1 34 34 ILE CA C 34 60.331 60.331 60.063 0.268 25448 5490 1 11 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.301 0.631 25448 5491 1 11 . 1 1 34 34 ILE H H 34 9.084 9.084 9.060 0.024 25448 5492 1 11 . 1 1 35 35 HIS N N 35 123.118 123.118 121.320 1.798 25448 5493 1 11 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.377 -0.219 25448 5494 1 11 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.482 -0.264 25448 5495 1 11 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.684 2.316 25448 5496 1 11 . 1 1 35 35 HIS H H 35 9.110 9.110 9.106 0.004 25448 5497 1 11 . 1 1 36 36 LEU N N 36 123.704 123.704 123.675 0.029 25448 5498 1 11 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.684 -0.600 25448 5499 1 11 . 1 1 36 36 LEU CA C 36 53.682 53.682 54.123 -0.441 25448 5500 1 11 . 1 1 36 36 LEU CB C 36 41.631 41.631 44.098 -2.467 25448 5501 1 11 . 1 1 36 36 LEU H H 36 8.991 8.991 8.949 0.042 25448 5502 1 11 . 1 1 37 37 ALA N N 37 129.765 129.765 128.897 0.868 25448 5503 1 11 . 1 1 37 37 ALA HA H 37 4.327 4.327 5.069 -0.742 25448 5504 1 11 . 1 1 37 37 ALA CA C 37 49.698 49.698 48.604 1.094 25448 5505 1 11 . 1 1 37 37 ALA CB C 37 19.428 19.428 20.719 -1.291 25448 5506 1 11 . 1 1 37 37 ALA H H 37 8.050 8.050 8.984 -0.934 25448 5507 1 11 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.726 -0.722 25448 5508 1 11 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.296 -0.496 25448 5509 1 11 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.522 -0.994 25448 5510 1 11 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.428 -0.054 25448 5511 1 11 . 1 1 39 39 PRO CA C 39 62.900 62.900 62.235 0.665 25448 5512 1 11 . 1 1 39 39 PRO CB C 39 32.000 32.000 32.161 -0.161 25448 5513 1 11 . 1 1 40 40 SER N N 40 114.906 114.906 115.432 -0.526 25448 5514 1 11 . 1 1 40 40 SER HA H 40 4.326 4.326 4.438 -0.112 25448 5515 1 11 . 1 1 40 40 SER CA C 40 58.700 58.700 57.898 0.802 25448 5516 1 11 . 1 1 40 40 SER CB C 40 64.004 64.004 63.982 0.022 25448 5517 1 11 . 1 1 40 40 SER H H 40 8.184 8.184 8.203 -0.019 25448 5518 1 11 . 1 1 41 41 GLU N N 41 121.221 121.221 120.711 0.510 25448 5519 1 11 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.165 0.096 25448 5520 1 11 . 1 1 41 41 GLU CA C 41 56.424 56.424 58.087 -1.663 25448 5521 1 11 . 1 1 41 41 GLU CB C 41 30.514 30.514 30.125 0.389 25448 5522 1 11 . 1 1 41 41 GLU H H 41 8.401 8.401 8.564 -0.163 25448 5523 1 11 . 1 1 42 42 TYR N N 42 121.900 121.900 118.132 3.768 25448 5524 1 11 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.753 0.028 25448 5525 1 11 . 1 1 42 42 TYR CA C 42 55.700 55.700 55.529 0.171 25448 5526 1 11 . 1 1 42 42 TYR CB C 42 38.400 38.400 40.595 -2.195 25448 5527 1 11 . 1 1 42 42 TYR H H 42 8.117 8.117 7.698 0.419 25448 5528 1 11 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.457 -0.054 25448 5529 1 11 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.347 1.133 25448 5530 1 11 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.472 -0.672 25448 5531 1 11 . 1 1 44 44 GLY N N 44 109.030 109.030 109.445 -0.415 25448 5532 1 11 . 1 1 44 44 GLY CA C 44 45.244 45.244 45.985 -0.741 25448 5533 1 11 . 1 1 44 44 GLY H H 44 8.001 8.001 8.738 -0.737 25448 5534 1 11 . 1 1 45 45 ALA N N 45 123.500 123.500 122.542 0.958 25448 5535 1 11 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.359 -0.047 25448 5536 1 11 . 1 1 45 45 ALA CA C 45 52.853 52.853 53.557 -0.704 25448 5537 1 11 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.064 0.258 25448 5538 1 11 . 1 1 45 45 ALA H H 45 8.082 8.082 8.191 -0.109 25448 5539 1 11 . 1 1 46 46 GLY N N 46 108.151 108.151 107.194 0.957 25448 5540 1 11 . 1 1 46 46 GLY CA C 46 45.460 45.460 43.960 1.500 25448 5541 1 11 . 1 1 46 46 GLY H H 46 8.408 8.408 7.750 0.658 25448 5542 1 11 . 1 1 48 48 SER N N 48 116.904 116.904 120.027 -3.123 25448 5543 1 11 . 1 1 48 48 SER HA H 48 4.700 4.700 4.263 0.437 25448 5544 1 11 . 1 1 48 48 SER H H 48 8.044 8.044 8.369 -0.325 25448 5545 1 11 . 1 1 49 49 SER HA H 49 4.456 4.456 4.377 0.079 25448 5546 1 11 . 1 1 49 49 SER CA C 49 58.713 58.713 60.817 -2.104 25448 5547 1 11 . 1 1 49 49 SER CB C 49 64.000 64.000 63.293 0.707 25448 5548 1 11 . 1 1 50 50 VAL N N 50 120.352 120.352 118.447 1.905 25448 5549 1 11 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.786 0.247 25448 5550 1 11 . 1 1 50 50 VAL CA C 50 62.816 62.816 64.753 -1.937 25448 5551 1 11 . 1 1 50 50 VAL CB C 50 32.416 32.416 31.119 1.297 25448 5552 1 11 . 1 1 50 50 VAL H H 50 7.890 7.890 7.725 0.165 25448 5553 1 11 . 1 1 51 51 PHE N N 51 121.600 121.600 120.211 1.389 25448 5554 1 11 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.320 0.256 25448 5555 1 11 . 1 1 51 51 PHE CA C 51 58.198 58.198 57.851 0.347 25448 5556 1 11 . 1 1 51 51 PHE CB C 51 39.470 39.470 36.887 2.583 25448 5557 1 11 . 1 1 51 51 PHE H H 51 7.989 7.989 8.083 -0.094 25448 5558 1 11 . 1 1 52 52 SER N N 52 116.521 116.521 115.759 0.762 25448 5559 1 11 . 1 1 52 52 SER HA H 52 4.429 4.429 4.085 0.344 25448 5560 1 11 . 1 1 52 52 SER C C 52 174.445 174.445 175.518 -1.073 25448 5561 1 11 . 1 1 52 52 SER CA C 52 58.365 58.365 61.334 -2.969 25448 5562 1 11 . 1 1 52 52 SER CB C 52 64.018 64.018 62.955 1.063 25448 5563 1 11 . 1 1 52 52 SER H H 52 8.018 8.018 8.155 -0.137 25448 5564 1 11 . 1 1 53 53 VAL N N 53 120.571 120.571 119.502 1.069 25448 5565 1 11 . 1 1 53 53 VAL HA H 53 4.103 4.103 3.883 0.220 25448 5566 1 11 . 1 1 53 53 VAL CA C 53 62.979 62.979 63.805 -0.826 25448 5567 1 11 . 1 1 53 53 VAL CB C 53 32.416 32.416 31.800 0.616 25448 5568 1 11 . 1 1 53 53 VAL H H 53 7.959 7.959 7.455 0.504 25448 5569 1 11 . 1 1 54 54 LEU N N 54 123.703 123.703 120.155 3.548 25448 5570 1 11 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.413 -0.047 25448 5571 1 11 . 1 1 54 54 LEU CA C 54 55.500 55.500 54.732 0.768 25448 5572 1 11 . 1 1 54 54 LEU CB C 54 42.293 42.293 42.333 -0.040 25448 5573 1 11 . 1 1 54 54 LEU H H 54 8.095 8.095 7.482 0.613 25448 5574 1 11 . 1 1 55 55 SER N N 55 115.309 115.309 115.745 -0.436 25448 5575 1 11 . 1 1 55 55 SER HA H 55 4.399 4.399 4.469 -0.070 25448 5576 1 11 . 1 1 55 55 SER CA C 55 58.365 58.365 57.590 0.775 25448 5577 1 11 . 1 1 55 55 SER CB C 55 64.110 64.110 64.139 -0.029 25448 5578 1 11 . 1 1 55 55 SER H H 55 8.063 8.063 8.048 0.015 25448 5579 1 11 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.880 0.038 25448 5580 1 11 . 1 1 56 56 ASN CA C 56 53.151 53.151 52.752 0.399 25448 5581 1 11 . 1 1 56 56 ASN CB C 56 39.339 39.339 40.847 -1.508 25448 5582 1 11 . 1 1 57 57 SER N N 57 115.102 115.102 116.295 -1.193 25448 5583 1 11 . 1 1 57 57 SER HA H 57 4.694 4.694 5.141 -0.447 25448 5584 1 11 . 1 1 57 57 SER CA C 57 58.307 58.307 57.405 0.902 25448 5585 1 11 . 1 1 57 57 SER CB C 57 64.838 64.838 66.570 -1.732 25448 5586 1 11 . 1 1 57 57 SER H H 57 8.065 8.065 8.464 -0.399 25448 5587 1 11 . 1 1 58 58 ALA N N 58 125.610 125.610 125.704 -0.094 25448 5588 1 11 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.651 -0.157 25448 5589 1 11 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.939 0.342 25448 5590 1 11 . 1 1 58 58 ALA CB C 58 22.479 22.479 20.760 1.719 25448 5591 1 11 . 1 1 58 58 ALA H H 58 8.548 8.548 8.853 -0.305 25448 5592 1 11 . 1 1 59 59 GLU N N 59 120.190 120.190 120.665 -0.475 25448 5593 1 11 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.060 -0.027 25448 5594 1 11 . 1 1 59 59 GLU CA C 59 54.004 54.004 53.983 0.021 25448 5595 1 11 . 1 1 59 59 GLU CB C 59 34.292 34.292 33.906 0.387 25448 5596 1 11 . 1 1 59 59 GLU H H 59 8.116 8.116 8.443 -0.327 25448 5597 1 11 . 1 1 60 60 VAL N N 60 125.380 125.380 125.907 -0.527 25448 5598 1 11 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.119 0.219 25448 5599 1 11 . 1 1 60 60 VAL CA C 60 62.784 62.784 62.336 0.448 25448 5600 1 11 . 1 1 60 60 VAL CB C 60 30.756 30.756 30.794 -0.038 25448 5601 1 11 . 1 1 60 60 VAL H H 60 8.531 8.531 8.962 -0.431 25448 5602 1 11 . 1 1 61 61 LYS N N 61 129.548 129.548 126.579 2.969 25448 5603 1 11 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.660 0.240 25448 5604 1 11 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.395 1.189 25448 5605 1 11 . 1 1 61 61 LYS CB C 61 38.034 38.034 36.983 1.051 25448 5606 1 11 . 1 1 61 61 LYS H H 61 9.068 9.068 8.746 0.322 25448 5607 1 11 . 1 1 62 62 ARG N N 62 123.653 123.653 122.570 1.083 25448 5608 1 11 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.263 0.439 25448 5609 1 11 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.069 -0.683 25448 5610 1 11 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.165 -0.207 25448 5611 1 11 . 1 1 62 62 ARG H H 62 8.749 8.749 8.604 0.145 25448 5612 1 11 . 1 1 63 63 GLU N N 63 125.033 125.033 124.577 0.456 25448 5613 1 11 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.871 0.127 25448 5614 1 11 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.993 -0.115 25448 5615 1 11 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.292 2.691 25448 5616 1 11 . 1 1 63 63 GLU H H 63 8.973 8.973 9.335 -0.362 25448 5617 1 11 . 1 1 64 64 ARG N N 64 121.855 121.855 119.865 1.990 25448 5618 1 11 . 1 1 64 64 ARG HA H 64 3.900 3.900 4.061 -0.161 25448 5619 1 11 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.565 0.335 25448 5620 1 11 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.354 -0.808 25448 5621 1 11 . 1 1 64 64 ARG H H 64 9.273 9.273 8.693 0.580 25448 5622 1 11 . 1 1 65 65 LEU N N 65 124.611 124.611 126.859 -2.248 25448 5623 1 11 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.852 -0.282 25448 5624 1 11 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.340 0.670 25448 5625 1 11 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.948 -0.225 25448 5626 1 11 . 1 1 65 65 LEU H H 65 8.823 8.823 8.979 -0.156 25448 5627 1 11 . 1 1 66 66 GLU N N 66 115.188 115.188 118.648 -3.460 25448 5628 1 11 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.750 0.085 25448 5629 1 11 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.657 -0.003 25448 5630 1 11 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.569 0.591 25448 5631 1 11 . 1 1 66 66 GLU H H 66 9.360 9.360 8.452 0.908 25448 5632 1 11 . 1 1 67 67 ASP N N 67 118.590 118.590 118.392 0.198 25448 5633 1 11 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.407 0.053 25448 5634 1 11 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.922 -0.355 25448 5635 1 11 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.806 -0.136 25448 5636 1 11 . 1 1 67 67 ASP H H 67 6.806 6.806 7.989 -1.183 25448 5637 1 11 . 1 1 68 68 VAL N N 68 119.985 119.985 119.548 0.437 25448 5638 1 11 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.702 -0.086 25448 5639 1 11 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.687 -0.617 25448 5640 1 11 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.777 0.390 25448 5641 1 11 . 1 1 68 68 VAL H H 68 7.414 7.414 8.244 -0.830 25448 5642 1 11 . 1 1 69 69 VAL N N 69 116.972 116.972 116.846 0.126 25448 5643 1 11 . 1 1 69 69 VAL HA H 69 3.502 3.502 4.026 -0.524 25448 5644 1 11 . 1 1 69 69 VAL CA C 69 65.337 65.337 61.867 3.470 25448 5645 1 11 . 1 1 69 69 VAL CB C 69 32.036 32.036 32.640 -0.604 25448 5646 1 11 . 1 1 69 69 VAL H H 69 8.261 8.261 7.940 0.321 25448 5647 1 11 . 1 1 70 70 GLY N N 70 107.311 107.311 108.545 -1.234 25448 5648 1 11 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.438 1.172 25448 5649 1 11 . 1 1 70 70 GLY H H 70 7.395 7.395 7.418 -0.023 25448 5650 1 11 . 1 1 71 71 GLY N N 71 110.582 110.582 113.406 -2.824 25448 5651 1 11 . 1 1 71 71 GLY CA C 71 45.176 45.176 45.426 -0.250 25448 5652 1 11 . 1 1 71 71 GLY H H 71 8.831 8.831 8.832 -0.001 25448 5653 1 11 . 1 1 72 72 CYS N N 72 118.742 118.742 116.316 2.426 25448 5654 1 11 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.976 -0.478 25448 5655 1 11 . 1 1 72 72 CYS CA C 72 60.154 60.154 57.525 2.629 25448 5656 1 11 . 1 1 72 72 CYS CB C 72 29.295 29.295 30.463 -1.168 25448 5657 1 11 . 1 1 72 72 CYS H H 72 7.613 7.613 7.815 -0.202 25448 5658 1 11 . 1 1 73 73 CYS N N 73 120.205 120.205 117.701 2.504 25448 5659 1 11 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.773 -0.242 25448 5660 1 11 . 1 1 73 73 CYS CA C 73 59.792 59.792 57.452 2.340 25448 5661 1 11 . 1 1 73 73 CYS CB C 73 28.046 28.046 29.860 -1.814 25448 5662 1 11 . 1 1 73 73 CYS H H 73 9.007 9.007 8.409 0.598 25448 5663 1 11 . 1 1 74 74 TYR N N 74 119.008 119.008 119.574 -0.566 25448 5664 1 11 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.897 -0.300 25448 5665 1 11 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.674 -1.084 25448 5666 1 11 . 1 1 74 74 TYR CB C 74 41.876 41.876 40.597 1.279 25448 5667 1 11 . 1 1 74 74 TYR H H 74 8.141 8.141 8.436 -0.295 25448 5668 1 11 . 1 1 75 75 ARG N N 75 115.457 115.457 119.368 -3.911 25448 5669 1 11 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.662 -0.023 25448 5670 1 11 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.649 -0.654 25448 5671 1 11 . 1 1 75 75 ARG CB C 75 33.235 33.235 35.477 -2.242 25448 5672 1 11 . 1 1 75 75 ARG H H 75 9.008 9.008 9.200 -0.192 25448 5673 1 11 . 1 1 76 76 VAL N N 76 123.071 123.071 122.212 0.859 25448 5674 1 11 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.425 0.138 25448 5675 1 11 . 1 1 76 76 VAL CA C 76 62.968 62.968 61.856 1.112 25448 5676 1 11 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.025 -0.060 25448 5677 1 11 . 1 1 76 76 VAL H H 76 8.511 8.511 9.338 -0.827 25448 5678 1 11 . 1 1 77 77 ASN N N 77 126.125 126.125 125.908 0.217 25448 5679 1 11 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.901 -0.046 25448 5680 1 11 . 1 1 77 77 ASN CA C 77 52.072 52.072 53.265 -1.193 25448 5681 1 11 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.557 -0.917 25448 5682 1 11 . 1 1 77 77 ASN H H 77 8.824 8.824 9.113 -0.289 25448 5683 1 11 . 1 1 78 78 ASN N N 78 124.269 124.269 120.875 3.394 25448 5684 1 11 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.790 0.556 25448 5685 1 11 . 1 1 78 78 ASN CA C 78 52.124 52.124 53.265 -1.141 25448 5686 1 11 . 1 1 78 78 ASN CB C 78 36.948 36.948 37.184 -0.236 25448 5687 1 11 . 1 1 78 78 ASN H H 78 8.685 8.685 8.756 -0.071 25448 5688 1 11 . 1 1 79 79 SER N N 79 117.959 117.959 119.314 -1.355 25448 5689 1 11 . 1 1 79 79 SER HA H 79 4.112 4.112 4.215 -0.103 25448 5690 1 11 . 1 1 79 79 SER CA C 79 62.669 62.669 60.896 1.773 25448 5691 1 11 . 1 1 79 79 SER CB C 79 63.727 63.727 63.319 0.408 25448 5692 1 11 . 1 1 79 79 SER H H 79 8.109 8.109 8.233 -0.124 25448 5693 1 11 . 1 1 80 80 LEU N N 80 121.272 121.272 120.760 0.512 25448 5694 1 11 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.350 0.120 25448 5695 1 11 . 1 1 80 80 LEU CA C 80 55.542 55.542 55.200 0.342 25448 5696 1 11 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.571 -0.071 25448 5697 1 11 . 1 1 80 80 LEU H H 80 7.947 7.947 7.917 0.030 25448 5698 1 11 . 1 1 81 81 ASP N N 81 121.692 121.692 120.097 1.595 25448 5699 1 11 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.360 0.730 25448 5700 1 11 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.868 -0.264 25448 5701 1 11 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.098 -0.798 25448 5702 1 11 . 1 1 81 81 ASP H H 81 8.294 8.294 7.782 0.512 25448 5703 1 11 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.580 -0.125 25448 5704 1 11 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.038 0.862 25448 5705 1 11 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.402 -0.636 25448 5706 1 11 . 1 1 83 83 GLU N N 83 118.940 118.940 118.514 0.426 25448 5707 1 11 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.079 0.074 25448 5708 1 11 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.237 -0.367 25448 5709 1 11 . 1 1 83 83 GLU CB C 83 32.422 32.422 30.772 1.650 25448 5710 1 11 . 1 1 83 83 GLU H H 83 7.476 7.476 7.830 -0.354 25448 5711 1 11 . 1 1 84 84 TYR N N 84 119.225 119.225 118.292 0.933 25448 5712 1 11 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.826 -0.060 25448 5713 1 11 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.502 -1.579 25448 5714 1 11 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.615 1.609 25448 5715 1 11 . 1 1 84 84 TYR H H 84 8.207 8.207 7.671 0.536 25448 5716 1 11 . 1 1 85 85 GLN N N 85 119.667 119.667 120.744 -1.077 25448 5717 1 11 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.573 0.225 25448 5718 1 11 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.463 -1.260 25448 5719 1 11 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.581 0.785 25448 5720 1 11 . 1 1 85 85 GLN H H 85 8.264 8.264 8.648 -0.384 25448 5721 1 11 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.566 -0.144 25448 5722 1 11 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.153 -0.542 25448 5723 1 11 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.168 -0.318 25448 5724 1 11 . 1 1 87 87 ARG N N 87 121.150 121.150 123.099 -1.949 25448 5725 1 11 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.772 -0.367 25448 5726 1 11 . 1 1 87 87 ARG CA C 87 55.600 55.600 53.373 2.227 25448 5727 1 11 . 1 1 87 87 ARG CB C 87 29.301 29.301 30.619 -1.318 25448 5728 1 11 . 1 1 87 87 ARG H H 87 8.254 8.254 8.311 -0.057 25448 5729 1 11 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.581 -0.134 25448 5730 1 11 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.686 0.293 25448 5731 1 11 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.443 -0.173 25448 5732 1 11 . 1 1 89 89 VAL N N 89 125.682 125.682 126.210 -0.528 25448 5733 1 11 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.596 -0.095 25448 5734 1 11 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.792 1.619 25448 5735 1 11 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.125 -0.490 25448 5736 1 11 . 1 1 89 89 VAL H H 89 8.678 8.678 8.557 0.121 25448 5737 1 11 . 1 1 90 90 GLU N N 90 117.092 117.092 118.606 -1.514 25448 5738 1 11 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.085 -0.058 25448 5739 1 11 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.295 0.720 25448 5740 1 11 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.880 -0.247 25448 5741 1 11 . 1 1 90 90 GLU H H 90 9.318 9.318 8.941 0.378 25448 5742 1 11 . 1 1 91 91 VAL N N 91 119.967 119.967 120.110 -0.143 25448 5743 1 11 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.724 0.140 25448 5744 1 11 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.739 -0.739 25448 5745 1 11 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.728 0.173 25448 5746 1 11 . 1 1 91 91 VAL H H 91 7.153 7.153 7.697 -0.544 25448 5747 1 11 . 1 1 92 92 ILE N N 92 122.669 122.669 121.577 1.092 25448 5748 1 11 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.864 -0.554 25448 5749 1 11 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.503 1.208 25448 5750 1 11 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.920 0.643 25448 5751 1 11 . 1 1 92 92 ILE H H 92 8.004 8.004 7.391 0.613 25448 5752 1 11 . 1 1 93 93 ILE N N 93 115.049 115.049 120.261 -5.212 25448 5753 1 11 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.599 -0.067 25448 5754 1 11 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.738 -0.653 25448 5755 1 11 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.577 -0.414 25448 5756 1 11 . 1 1 93 93 ILE H H 93 8.305 8.305 8.325 -0.020 25448 5757 1 11 . 1 1 94 94 SER N N 94 115.196 115.196 116.330 -1.134 25448 5758 1 11 . 1 1 94 94 SER HA H 94 4.101 4.101 4.078 0.023 25448 5759 1 11 . 1 1 94 94 SER CA C 94 62.300 62.300 62.657 -0.357 25448 5760 1 11 . 1 1 94 94 SER H H 94 7.927 7.927 8.437 -0.510 25448 5761 1 11 . 1 1 95 95 SER N N 95 117.891 117.891 117.843 0.048 25448 5762 1 11 . 1 1 95 95 SER HA H 95 4.209 4.209 4.049 0.160 25448 5763 1 11 . 1 1 95 95 SER CA C 95 62.100 62.100 61.422 0.678 25448 5764 1 11 . 1 1 95 95 SER CB C 95 62.714 62.714 62.856 -0.142 25448 5765 1 11 . 1 1 95 95 SER H H 95 8.174 8.174 8.244 -0.070 25448 5766 1 11 . 1 1 96 96 ALA N N 96 123.830 123.830 124.309 -0.479 25448 5767 1 11 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.080 -0.189 25448 5768 1 11 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.437 -0.161 25448 5769 1 11 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.263 1.685 25448 5770 1 11 . 1 1 96 96 ALA H H 96 8.110 8.110 8.215 -0.105 25448 5771 1 11 . 1 1 97 97 LYS N N 97 115.893 115.893 117.621 -1.728 25448 5772 1 11 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.965 -0.157 25448 5773 1 11 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.550 0.799 25448 5774 1 11 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.397 0.301 25448 5775 1 11 . 1 1 97 97 LYS H H 97 8.218 8.218 8.236 -0.018 25448 5776 1 11 . 1 1 98 98 GLU N N 98 117.006 117.006 116.674 0.332 25448 5777 1 11 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.111 0.029 25448 5778 1 11 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.086 0.136 25448 5779 1 11 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.737 0.039 25448 5780 1 11 . 1 1 98 98 GLU H H 98 7.474 7.474 8.082 -0.608 25448 5781 1 11 . 1 1 99 99 MET N N 99 114.572 114.572 117.139 -2.567 25448 5782 1 11 . 1 1 99 99 MET HA H 99 4.533 4.533 4.380 0.153 25448 5783 1 11 . 1 1 99 99 MET CA C 99 55.292 55.292 55.834 -0.542 25448 5784 1 11 . 1 1 99 99 MET CB C 99 33.777 33.777 33.452 0.325 25448 5785 1 11 . 1 1 99 99 MET H H 99 7.378 7.378 8.107 -0.729 25448 5786 1 11 . 1 1 100 100 VAL N N 100 119.104 119.104 118.492 0.612 25448 5787 1 11 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.602 -0.336 25448 5788 1 11 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.101 0.946 25448 5789 1 11 . 1 1 100 100 VAL CB C 100 31.325 31.325 30.941 0.384 25448 5790 1 11 . 1 1 100 100 VAL H H 100 7.056 7.056 8.064 -1.008 25448 5791 1 11 . 1 1 101 101 GLY N N 101 116.779 116.779 114.782 1.997 25448 5792 1 11 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.776 -0.125 25448 5793 1 11 . 1 1 101 101 GLY H H 101 8.979 8.979 8.650 0.329 25448 5794 1 11 . 1 1 102 102 GLN N N 102 119.990 119.990 120.000 -0.010 25448 5795 1 11 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.481 -0.284 25448 5796 1 11 . 1 1 102 102 GLN C C 102 174.994 174.994 174.869 0.125 25448 5797 1 11 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.765 0.898 25448 5798 1 11 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.245 -1.309 25448 5799 1 11 . 1 1 102 102 GLN H H 102 8.103 8.103 8.069 0.034 25448 5800 1 11 . 1 1 103 103 LYS N N 103 120.261 120.261 120.213 0.048 25448 5801 1 11 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.215 0.051 25448 5802 1 11 . 1 1 103 103 LYS CA C 103 54.642 54.642 54.865 -0.223 25448 5803 1 11 . 1 1 103 103 LYS CB C 103 34.196 34.196 35.649 -1.453 25448 5804 1 11 . 1 1 103 103 LYS H H 103 8.310 8.310 8.309 0.001 25448 5805 1 11 . 1 1 104 104 MET N N 104 119.868 119.868 121.381 -1.513 25448 5806 1 11 . 1 1 104 104 MET HA H 104 4.692 4.692 4.710 -0.018 25448 5807 1 11 . 1 1 104 104 MET CA C 104 54.276 54.276 54.553 -0.277 25448 5808 1 11 . 1 1 104 104 MET CB C 104 36.831 36.831 36.741 0.090 25448 5809 1 11 . 1 1 104 104 MET H H 104 8.556 8.556 9.014 -0.458 25448 5810 1 11 . 1 1 105 105 LYS N N 105 120.932 120.932 123.854 -2.922 25448 5811 1 11 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.154 0.212 25448 5812 1 11 . 1 1 105 105 LYS CA C 105 57.100 57.100 57.041 0.059 25448 5813 1 11 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.657 0.233 25448 5814 1 11 . 1 1 105 105 LYS H H 105 8.257 8.257 8.537 -0.280 25448 5815 1 11 . 1 1 106 106 TYR N N 106 122.600 122.600 127.377 -4.777 25448 5816 1 11 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.366 0.052 25448 5817 1 11 . 1 1 106 106 TYR CA C 106 56.726 56.726 58.102 -1.376 25448 5818 1 11 . 1 1 106 106 TYR CB C 106 38.561 38.561 39.037 -0.476 25448 5819 1 11 . 1 1 106 106 TYR H H 106 8.378 8.378 8.445 -0.067 25448 5820 1 11 . 1 1 107 107 SER N N 107 116.904 116.904 125.603 -8.699 25448 5821 1 11 . 1 1 107 107 SER CA C 107 56.717 56.717 58.808 -2.091 25448 5822 1 11 . 1 1 107 107 SER CB C 107 63.983 63.983 60.991 2.992 25448 5823 1 11 . 1 1 107 107 SER H H 107 8.044 8.044 8.849 -0.805 25448 5824 1 11 . 1 1 109 109 VAL HA H 109 4.013 4.013 4.268 -0.255 25448 5825 1 11 . 1 1 109 109 VAL CA C 109 64.307 64.307 59.958 4.349 25448 5826 1 11 . 1 1 109 109 VAL CB C 109 32.000 32.000 34.156 -2.156 25448 5827 1 11 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.401 -0.029 25448 5828 1 11 . 1 1 111 111 ARG CA C 111 57.100 57.100 57.741 -0.641 25448 5829 1 11 . 1 1 111 111 ARG CB C 111 28.110 28.110 29.203 -1.093 25448 5830 1 11 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.302 0.186 25448 5831 1 11 . 1 1 113 113 CYS CA C 113 61.609 61.609 62.526 -0.917 25448 5832 1 11 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.609 -0.809 25448 5833 1 11 . 1 1 114 114 GLU N N 114 125.287 125.287 120.674 4.613 25448 5834 1 11 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.771 -0.332 25448 5835 1 11 . 1 1 114 114 GLU CA C 114 58.669 58.669 58.904 -0.235 25448 5836 1 11 . 1 1 114 114 GLU CB C 114 30.058 30.058 27.017 3.041 25448 5837 1 11 . 1 1 114 114 GLU H H 114 7.720 7.720 7.854 -0.134 25448 5838 1 11 . 1 1 115 115 HIS N N 115 119.008 119.008 121.642 -2.634 25448 5839 1 11 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.249 0.148 25448 5840 1 11 . 1 1 115 115 HIS CA C 115 58.460 58.460 59.389 -0.929 25448 5841 1 11 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.918 0.143 25448 5842 1 11 . 1 1 115 115 HIS H H 115 8.051 8.051 7.663 0.388 25448 5843 1 11 . 1 1 116 116 PHE N N 116 117.059 117.059 120.605 -3.546 25448 5844 1 11 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.097 0.251 25448 5845 1 11 . 1 1 116 116 PHE CA C 116 61.077 61.077 61.120 -0.043 25448 5846 1 11 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.890 0.708 25448 5847 1 11 . 1 1 116 116 PHE H H 116 8.168 8.168 7.742 0.426 25448 5848 1 11 . 1 1 117 117 VAL N N 117 107.857 107.857 114.374 -6.517 25448 5849 1 11 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.090 0.775 25448 5850 1 11 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.173 -0.582 25448 5851 1 11 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.570 -0.997 25448 5852 1 11 . 1 1 117 117 VAL H H 117 7.080 7.080 8.288 -1.208 25448 5853 1 11 . 1 1 118 118 THR N N 118 117.382 117.382 113.796 3.586 25448 5854 1 11 . 1 1 118 118 THR HA H 118 4.046 4.046 3.957 0.089 25448 5855 1 11 . 1 1 118 118 THR CA C 118 66.745 66.745 65.482 1.263 25448 5856 1 11 . 1 1 118 118 THR CB C 118 68.185 68.185 68.348 -0.163 25448 5857 1 11 . 1 1 118 118 THR H H 118 8.465 8.465 8.151 0.314 25448 5858 1 11 . 1 1 119 119 GLN N N 119 121.900 121.900 121.066 0.834 25448 5859 1 11 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.037 -0.152 25448 5860 1 11 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.859 0.143 25448 5861 1 11 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.000 -0.389 25448 5862 1 11 . 1 1 119 119 GLN H H 119 8.074 8.074 8.085 -0.011 25448 5863 1 11 . 1 1 120 120 LEU N N 120 117.899 117.899 118.502 -0.603 25448 5864 1 11 . 1 1 120 120 LEU HA H 120 3.835 3.835 4.016 -0.181 25448 5865 1 11 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.621 -0.194 25448 5866 1 11 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.285 0.949 25448 5867 1 11 . 1 1 120 120 LEU H H 120 6.829 6.829 7.463 -0.634 25448 5868 1 11 . 1 1 121 121 ARG N N 121 117.250 117.250 117.770 -0.520 25448 5869 1 11 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.103 -0.183 25448 5870 1 11 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.589 0.454 25448 5871 1 11 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.840 -0.584 25448 5872 1 11 . 1 1 121 121 ARG H H 121 7.677 7.677 7.630 0.047 25448 5873 1 11 . 1 1 122 122 TYR N N 122 111.508 111.508 121.094 -9.586 25448 5874 1 11 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.154 0.486 25448 5875 1 11 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.511 -1.989 25448 5876 1 11 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.720 0.954 25448 5877 1 11 . 1 1 122 122 TYR H H 122 8.114 8.114 8.796 -0.682 25448 5878 1 11 . 1 1 123 123 GLY N N 123 109.399 109.399 105.245 4.154 25448 5879 1 11 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.188 1.153 25448 5880 1 11 . 1 1 123 123 GLY H H 123 8.032 8.032 7.848 0.184 25448 5881 1 11 . 1 1 124 124 LYS N N 124 117.936 117.936 120.537 -2.601 25448 5882 1 11 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.096 0.256 25448 5883 1 11 . 1 1 124 124 LYS CA C 124 55.200 55.200 56.083 -0.883 25448 5884 1 11 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.522 1.476 25448 5885 1 11 . 1 1 124 124 LYS H H 124 7.402 7.402 7.180 0.222 25448 5886 1 12 . 1 1 3 3 SER N N 3 113.812 113.812 116.204 -2.392 25448 5887 1 12 . 1 1 3 3 SER HA H 3 4.697 4.697 4.476 0.221 25448 5888 1 12 . 1 1 3 3 SER CA C 3 58.996 58.996 58.204 0.792 25448 5889 1 12 . 1 1 3 3 SER CB C 3 63.800 63.800 62.917 0.883 25448 5890 1 12 . 1 1 3 3 SER H H 3 7.587 7.587 8.409 -0.822 25448 5891 1 12 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.488 -0.075 25448 5892 1 12 . 1 1 4 4 PRO CA C 4 63.354 63.354 62.739 0.615 25448 5893 1 12 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.693 -0.793 25448 5894 1 12 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.565 -0.008 25448 5895 1 12 . 1 1 5 5 HIS CA C 5 56.230 56.230 56.781 -0.551 25448 5896 1 12 . 1 1 5 5 HIS CB C 5 30.500 30.500 30.290 0.210 25448 5897 1 12 . 1 1 5 5 HIS H H 5 6.984 6.984 8.319 -1.335 25448 5898 1 12 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.557 -0.269 25448 5899 1 12 . 1 1 6 6 GLN CA C 6 55.174 55.174 55.238 -0.064 25448 5900 1 12 . 1 1 6 6 GLN CB C 6 30.042 30.042 31.776 -1.734 25448 5901 1 12 . 1 1 7 7 GLU N N 7 124.477 124.477 123.532 0.945 25448 5902 1 12 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.711 -0.222 25448 5903 1 12 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.389 0.722 25448 5904 1 12 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.440 -1.528 25448 5905 1 12 . 1 1 7 7 GLU H H 7 8.353 8.353 8.452 -0.099 25448 5906 1 12 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.511 -0.167 25448 5907 1 12 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.237 0.161 25448 5908 1 12 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.261 -0.861 25448 5909 1 12 . 1 1 9 9 LYS N N 9 122.328 122.328 119.282 3.046 25448 5910 1 12 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.917 -0.044 25448 5911 1 12 . 1 1 9 9 LYS CA C 9 53.151 53.151 53.019 0.132 25448 5912 1 12 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.510 -1.371 25448 5913 1 12 . 1 1 9 9 LYS H H 9 9.336 9.336 9.009 0.327 25448 5914 1 12 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.273 -0.350 25448 5915 1 12 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.265 0.269 25448 5916 1 12 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.529 0.100 25448 5917 1 12 . 1 1 11 11 GLY N N 11 112.758 112.758 115.996 -3.238 25448 5918 1 12 . 1 1 11 11 GLY CA C 11 45.182 45.182 45.212 -0.030 25448 5919 1 12 . 1 1 11 11 GLY H H 11 9.359 9.359 9.000 0.359 25448 5920 1 12 . 1 1 12 12 ASP N N 12 120.500 120.500 121.646 -1.146 25448 5921 1 12 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.851 0.019 25448 5922 1 12 . 1 1 12 12 ASP CA C 12 55.211 55.211 54.833 0.378 25448 5923 1 12 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.282 1.665 25448 5924 1 12 . 1 1 12 12 ASP H H 12 8.277 8.277 8.029 0.248 25448 5925 1 12 . 1 1 13 13 LEU N N 13 119.594 119.594 123.692 -4.098 25448 5926 1 12 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.920 0.057 25448 5927 1 12 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.214 -0.225 25448 5928 1 12 . 1 1 13 13 LEU CB C 13 41.198 41.198 41.292 -0.094 25448 5929 1 12 . 1 1 13 13 LEU H H 13 9.103 9.103 9.237 -0.134 25448 5930 1 12 . 1 1 14 14 ILE N N 14 121.352 121.352 125.862 -4.510 25448 5931 1 12 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.805 -0.195 25448 5932 1 12 . 1 1 14 14 ILE CA C 14 58.178 58.178 60.403 -2.225 25448 5933 1 12 . 1 1 14 14 ILE CB C 14 39.213 39.213 39.635 -0.422 25448 5934 1 12 . 1 1 14 14 ILE H H 14 9.221 9.221 9.441 -0.220 25448 5935 1 12 . 1 1 15 15 GLU N N 15 129.555 129.555 127.619 1.936 25448 5936 1 12 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.532 -1.314 25448 5937 1 12 . 1 1 15 15 GLU CA C 15 54.448 54.448 55.437 -0.989 25448 5938 1 12 . 1 1 15 15 GLU CB C 15 31.783 31.783 31.175 0.608 25448 5939 1 12 . 1 1 15 15 GLU H H 15 8.625 8.625 9.107 -0.482 25448 5940 1 12 . 1 1 16 16 ILE N N 16 125.258 125.258 122.618 2.640 25448 5941 1 12 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.652 -0.543 25448 5942 1 12 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.910 0.590 25448 5943 1 12 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.243 0.158 25448 5944 1 12 . 1 1 16 16 ILE H H 16 8.557 8.557 8.686 -0.129 25448 5945 1 12 . 1 1 17 17 PHE N N 17 127.058 127.058 128.266 -1.208 25448 5946 1 12 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.760 -0.258 25448 5947 1 12 . 1 1 17 17 PHE CA C 17 58.939 58.939 57.368 1.571 25448 5948 1 12 . 1 1 17 17 PHE CB C 17 37.496 37.496 37.690 -0.194 25448 5949 1 12 . 1 1 17 17 PHE H H 17 8.500 8.500 9.152 -0.652 25448 5950 1 12 . 1 1 18 18 ARG N N 18 124.569 124.569 121.252 3.317 25448 5951 1 12 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.446 0.204 25448 5952 1 12 . 1 1 18 18 ARG CA C 18 54.596 54.596 54.839 -0.242 25448 5953 1 12 . 1 1 18 18 ARG CB C 18 30.206 30.206 31.493 -1.287 25448 5954 1 12 . 1 1 18 18 ARG H H 18 7.686 7.686 7.934 -0.247 25448 5955 1 12 . 1 1 19 19 LEU N N 19 121.049 121.049 122.764 -1.715 25448 5956 1 12 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.273 0.151 25448 5957 1 12 . 1 1 19 19 LEU CA C 19 56.123 56.123 56.011 0.112 25448 5958 1 12 . 1 1 19 19 LEU CB C 19 40.296 40.296 39.861 0.435 25448 5959 1 12 . 1 1 19 19 LEU H H 19 8.103 8.103 8.883 -0.780 25448 5960 1 12 . 1 1 20 20 GLY N N 20 115.623 115.623 113.411 2.212 25448 5961 1 12 . 1 1 20 20 GLY CA C 20 45.736 45.736 45.133 0.603 25448 5962 1 12 . 1 1 20 20 GLY H H 20 8.686 8.686 8.965 -0.279 25448 5963 1 12 . 1 1 21 21 TYR N N 21 115.905 115.905 120.243 -4.338 25448 5964 1 12 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.687 0.073 25448 5965 1 12 . 1 1 21 21 TYR CA C 21 56.507 56.507 57.081 -0.574 25448 5966 1 12 . 1 1 21 21 TYR CB C 21 38.631 38.631 40.879 -2.248 25448 5967 1 12 . 1 1 21 21 TYR H H 21 7.433 7.433 7.662 -0.229 25448 5968 1 12 . 1 1 22 22 GLU N N 22 116.649 116.649 124.796 -8.147 25448 5969 1 12 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.387 0.773 25448 5970 1 12 . 1 1 22 22 GLU CA C 22 56.255 56.255 55.638 0.617 25448 5971 1 12 . 1 1 22 22 GLU CB C 22 32.167 32.167 29.904 2.263 25448 5972 1 12 . 1 1 22 22 GLU H H 22 8.139 8.139 8.841 -0.702 25448 5973 1 12 . 1 1 23 23 HIS N N 23 122.171 122.171 121.270 0.901 25448 5974 1 12 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.991 0.597 25448 5975 1 12 . 1 1 23 23 HIS CA C 23 54.161 54.161 55.290 -1.129 25448 5976 1 12 . 1 1 23 23 HIS CB C 23 34.370 34.370 34.041 0.329 25448 5977 1 12 . 1 1 23 23 HIS H H 23 8.943 8.943 8.879 0.064 25448 5978 1 12 . 1 1 24 24 TRP N N 24 124.412 124.412 118.568 5.844 25448 5979 1 12 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.690 0.007 25448 5980 1 12 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.419 -0.513 25448 5981 1 12 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.666 -1.510 25448 5982 1 12 . 1 1 24 24 TRP H H 24 6.764 6.764 8.931 -2.167 25448 5983 1 12 . 1 1 25 25 ALA N N 25 121.149 121.149 122.414 -1.265 25448 5984 1 12 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.277 -0.416 25448 5985 1 12 . 1 1 25 25 ALA CA C 25 50.352 50.352 50.791 -0.439 25448 5986 1 12 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.473 -0.520 25448 5987 1 12 . 1 1 25 25 ALA H H 25 9.336 9.336 9.344 -0.008 25448 5988 1 12 . 1 1 26 26 LEU N N 26 122.472 122.472 123.400 -0.928 25448 5989 1 12 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.272 -0.012 25448 5990 1 12 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.991 0.650 25448 5991 1 12 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.554 1.867 25448 5992 1 12 . 1 1 26 26 LEU H H 26 8.835 8.835 9.070 -0.235 25448 5993 1 12 . 1 1 27 27 TYR N N 27 128.215 128.215 129.162 -0.947 25448 5994 1 12 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.758 -0.006 25448 5995 1 12 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.319 1.483 25448 5996 1 12 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.946 -1.276 25448 5997 1 12 . 1 1 27 27 TYR H H 27 9.750 9.750 9.144 0.606 25448 5998 1 12 . 1 1 28 28 ILE N N 28 119.796 119.796 122.228 -2.432 25448 5999 1 12 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.392 0.181 25448 6000 1 12 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.101 0.717 25448 6001 1 12 . 1 1 28 28 ILE CB C 28 38.900 38.900 38.754 0.146 25448 6002 1 12 . 1 1 28 28 ILE H H 28 8.196 8.196 7.989 0.207 25448 6003 1 12 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.616 -1.616 25448 6004 1 12 . 1 1 29 29 GLY H H 29 6.584 6.584 7.556 -0.972 25448 6005 1 12 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.645 -0.223 25448 6006 1 12 . 1 1 30 30 ASP CA C 30 55.640 55.640 54.344 1.296 25448 6007 1 12 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.723 -0.470 25448 6008 1 12 . 1 1 30 30 ASP H H 30 6.837 6.837 7.950 -1.113 25448 6009 1 12 . 1 1 31 31 GLY N N 31 124.953 124.953 106.592 18.361 25448 6010 1 12 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.447 0.090 25448 6011 1 12 . 1 1 31 31 GLY H H 31 8.120 8.120 8.082 0.038 25448 6012 1 12 . 1 1 32 32 TYR N N 32 120.196 120.196 120.448 -0.252 25448 6013 1 12 . 1 1 32 32 TYR HA H 32 4.930 4.930 4.965 -0.035 25448 6014 1 12 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.016 0.772 25448 6015 1 12 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.517 1.478 25448 6016 1 12 . 1 1 32 32 TYR H H 32 7.843 7.843 7.558 0.285 25448 6017 1 12 . 1 1 33 33 VAL N N 33 109.892 109.892 113.404 -3.512 25448 6018 1 12 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.202 0.264 25448 6019 1 12 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.401 -1.940 25448 6020 1 12 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.672 -0.515 25448 6021 1 12 . 1 1 33 33 VAL H H 33 9.242 9.242 9.282 -0.040 25448 6022 1 12 . 1 1 34 34 ILE N N 34 119.424 119.424 121.932 -2.508 25448 6023 1 12 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.212 0.343 25448 6024 1 12 . 1 1 34 34 ILE CA C 34 60.331 60.331 60.027 0.304 25448 6025 1 12 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.295 0.637 25448 6026 1 12 . 1 1 34 34 ILE H H 34 9.084 9.084 9.037 0.047 25448 6027 1 12 . 1 1 35 35 HIS N N 35 123.118 123.118 121.171 1.947 25448 6028 1 12 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.314 -0.156 25448 6029 1 12 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.363 -0.145 25448 6030 1 12 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.694 2.306 25448 6031 1 12 . 1 1 35 35 HIS H H 35 9.110 9.110 9.107 0.003 25448 6032 1 12 . 1 1 36 36 LEU N N 36 123.704 123.704 122.903 0.801 25448 6033 1 12 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.384 -0.300 25448 6034 1 12 . 1 1 36 36 LEU CA C 36 53.682 53.682 54.226 -0.544 25448 6035 1 12 . 1 1 36 36 LEU CB C 36 41.631 41.631 43.727 -2.096 25448 6036 1 12 . 1 1 36 36 LEU H H 36 8.991 8.991 8.719 0.272 25448 6037 1 12 . 1 1 37 37 ALA N N 37 129.765 129.765 130.570 -0.805 25448 6038 1 12 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.957 -0.630 25448 6039 1 12 . 1 1 37 37 ALA CA C 37 49.698 49.698 48.959 0.739 25448 6040 1 12 . 1 1 37 37 ALA CB C 37 19.428 19.428 19.703 -0.275 25448 6041 1 12 . 1 1 37 37 ALA H H 37 8.050 8.050 8.769 -0.719 25448 6042 1 12 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.464 -0.460 25448 6043 1 12 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.891 -1.091 25448 6044 1 12 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.503 -0.975 25448 6045 1 12 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.340 0.034 25448 6046 1 12 . 1 1 39 39 PRO CA C 39 62.900 62.900 62.552 0.348 25448 6047 1 12 . 1 1 39 39 PRO CB C 39 32.000 32.000 32.159 -0.159 25448 6048 1 12 . 1 1 40 40 SER N N 40 114.906 114.906 115.548 -0.642 25448 6049 1 12 . 1 1 40 40 SER HA H 40 4.326 4.326 4.283 0.043 25448 6050 1 12 . 1 1 40 40 SER CA C 40 58.700 58.700 59.477 -0.777 25448 6051 1 12 . 1 1 40 40 SER CB C 40 64.004 64.004 63.522 0.482 25448 6052 1 12 . 1 1 40 40 SER H H 40 8.184 8.184 8.573 -0.389 25448 6053 1 12 . 1 1 41 41 GLU N N 41 121.221 121.221 120.354 0.867 25448 6054 1 12 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.359 -0.098 25448 6055 1 12 . 1 1 41 41 GLU CA C 41 56.424 56.424 56.288 0.136 25448 6056 1 12 . 1 1 41 41 GLU CB C 41 30.514 30.514 31.170 -0.656 25448 6057 1 12 . 1 1 41 41 GLU H H 41 8.401 8.401 7.535 0.866 25448 6058 1 12 . 1 1 42 42 TYR N N 42 121.900 121.900 126.859 -4.959 25448 6059 1 12 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.837 -0.057 25448 6060 1 12 . 1 1 42 42 TYR CA C 42 55.700 55.700 56.033 -0.333 25448 6061 1 12 . 1 1 42 42 TYR CB C 42 38.400 38.400 39.720 -1.320 25448 6062 1 12 . 1 1 42 42 TYR H H 42 8.117 8.117 8.602 -0.485 25448 6063 1 12 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.322 0.081 25448 6064 1 12 . 1 1 43 43 PRO CA C 43 63.480 63.480 63.065 0.416 25448 6065 1 12 . 1 1 43 43 PRO CB C 43 31.800 31.800 31.247 0.553 25448 6066 1 12 . 1 1 44 44 GLY N N 44 109.030 109.030 112.902 -3.872 25448 6067 1 12 . 1 1 44 44 GLY CA C 44 45.244 45.244 45.235 0.009 25448 6068 1 12 . 1 1 44 44 GLY H H 44 8.001 8.001 8.376 -0.375 25448 6069 1 12 . 1 1 45 45 ALA N N 45 123.500 123.500 124.432 -0.932 25448 6070 1 12 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.345 -0.033 25448 6071 1 12 . 1 1 45 45 ALA CA C 45 52.853 52.853 51.760 1.093 25448 6072 1 12 . 1 1 45 45 ALA CB C 45 19.322 19.322 17.753 1.569 25448 6073 1 12 . 1 1 45 45 ALA H H 45 8.082 8.082 7.232 0.850 25448 6074 1 12 . 1 1 46 46 GLY N N 46 108.151 108.151 114.586 -6.435 25448 6075 1 12 . 1 1 46 46 GLY CA C 46 45.460 45.460 46.547 -1.087 25448 6076 1 12 . 1 1 46 46 GLY H H 46 8.408 8.408 8.253 0.155 25448 6077 1 12 . 1 1 48 48 SER N N 48 116.904 116.904 118.394 -1.490 25448 6078 1 12 . 1 1 48 48 SER HA H 48 4.700 4.700 4.404 0.296 25448 6079 1 12 . 1 1 48 48 SER H H 48 8.044 8.044 7.605 0.439 25448 6080 1 12 . 1 1 49 49 SER HA H 49 4.456 4.456 4.090 0.366 25448 6081 1 12 . 1 1 49 49 SER CA C 49 58.713 58.713 57.296 1.417 25448 6082 1 12 . 1 1 49 49 SER CB C 49 64.000 64.000 63.719 0.281 25448 6083 1 12 . 1 1 50 50 VAL N N 50 120.352 120.352 116.434 3.918 25448 6084 1 12 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.740 0.293 25448 6085 1 12 . 1 1 50 50 VAL CA C 50 62.816 62.816 63.527 -0.711 25448 6086 1 12 . 1 1 50 50 VAL CB C 50 32.416 32.416 29.430 2.986 25448 6087 1 12 . 1 1 50 50 VAL H H 50 7.890 7.890 8.547 -0.657 25448 6088 1 12 . 1 1 51 51 PHE N N 51 121.600 121.600 119.257 2.343 25448 6089 1 12 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.098 0.478 25448 6090 1 12 . 1 1 51 51 PHE CA C 51 58.198 58.198 61.106 -2.908 25448 6091 1 12 . 1 1 51 51 PHE CB C 51 39.470 39.470 38.534 0.936 25448 6092 1 12 . 1 1 51 51 PHE H H 51 7.989 7.989 8.434 -0.445 25448 6093 1 12 . 1 1 52 52 SER N N 52 116.521 116.521 113.687 2.834 25448 6094 1 12 . 1 1 52 52 SER HA H 52 4.429 4.429 4.493 -0.064 25448 6095 1 12 . 1 1 52 52 SER C C 52 174.445 174.445 173.843 0.602 25448 6096 1 12 . 1 1 52 52 SER CA C 52 58.365 58.365 58.259 0.106 25448 6097 1 12 . 1 1 52 52 SER CB C 52 64.018 64.018 63.458 0.560 25448 6098 1 12 . 1 1 52 52 SER H H 52 8.018 8.018 8.047 -0.029 25448 6099 1 12 . 1 1 53 53 VAL N N 53 120.571 120.571 122.997 -2.426 25448 6100 1 12 . 1 1 53 53 VAL HA H 53 4.103 4.103 3.981 0.122 25448 6101 1 12 . 1 1 53 53 VAL CA C 53 62.979 62.979 63.133 -0.154 25448 6102 1 12 . 1 1 53 53 VAL CB C 53 32.416 32.416 32.114 0.302 25448 6103 1 12 . 1 1 53 53 VAL H H 53 7.959 7.959 7.685 0.274 25448 6104 1 12 . 1 1 54 54 LEU N N 54 123.703 123.703 126.947 -3.244 25448 6105 1 12 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.324 0.042 25448 6106 1 12 . 1 1 54 54 LEU CA C 54 55.500 55.500 54.738 0.762 25448 6107 1 12 . 1 1 54 54 LEU CB C 54 42.293 42.293 42.122 0.171 25448 6108 1 12 . 1 1 54 54 LEU H H 54 8.095 8.095 8.367 -0.272 25448 6109 1 12 . 1 1 55 55 SER N N 55 115.309 115.309 117.139 -1.830 25448 6110 1 12 . 1 1 55 55 SER HA H 55 4.399 4.399 4.385 0.014 25448 6111 1 12 . 1 1 55 55 SER CA C 55 58.365 58.365 58.767 -0.402 25448 6112 1 12 . 1 1 55 55 SER CB C 55 64.110 64.110 63.324 0.786 25448 6113 1 12 . 1 1 55 55 SER H H 55 8.063 8.063 7.852 0.211 25448 6114 1 12 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.829 0.089 25448 6115 1 12 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.428 -0.277 25448 6116 1 12 . 1 1 56 56 ASN CB C 56 39.339 39.339 40.926 -1.587 25448 6117 1 12 . 1 1 57 57 SER N N 57 115.102 115.102 118.663 -3.561 25448 6118 1 12 . 1 1 57 57 SER HA H 57 4.694 4.694 5.329 -0.635 25448 6119 1 12 . 1 1 57 57 SER CA C 57 58.307 58.307 57.754 0.553 25448 6120 1 12 . 1 1 57 57 SER CB C 57 64.838 64.838 66.416 -1.578 25448 6121 1 12 . 1 1 57 57 SER H H 57 8.065 8.065 8.430 -0.365 25448 6122 1 12 . 1 1 58 58 ALA N N 58 125.610 125.610 125.248 0.362 25448 6123 1 12 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.749 -0.255 25448 6124 1 12 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.727 0.554 25448 6125 1 12 . 1 1 58 58 ALA CB C 58 22.479 22.479 20.764 1.716 25448 6126 1 12 . 1 1 58 58 ALA H H 58 8.548 8.548 9.030 -0.482 25448 6127 1 12 . 1 1 59 59 GLU N N 59 120.190 120.190 120.966 -0.776 25448 6128 1 12 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.058 -0.025 25448 6129 1 12 . 1 1 59 59 GLU CA C 59 54.004 54.004 54.009 -0.005 25448 6130 1 12 . 1 1 59 59 GLU CB C 59 34.292 34.292 33.840 0.452 25448 6131 1 12 . 1 1 59 59 GLU H H 59 8.116 8.116 8.522 -0.406 25448 6132 1 12 . 1 1 60 60 VAL N N 60 125.380 125.380 126.461 -1.081 25448 6133 1 12 . 1 1 60 60 VAL HA H 60 4.338 4.338 3.963 0.375 25448 6134 1 12 . 1 1 60 60 VAL CA C 60 62.784 62.784 63.219 -0.435 25448 6135 1 12 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.327 -0.571 25448 6136 1 12 . 1 1 60 60 VAL H H 60 8.531 8.531 9.027 -0.496 25448 6137 1 12 . 1 1 61 61 LYS N N 61 129.548 129.548 126.260 3.288 25448 6138 1 12 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.666 0.234 25448 6139 1 12 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.086 1.498 25448 6140 1 12 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.208 0.826 25448 6141 1 12 . 1 1 61 61 LYS H H 61 9.068 9.068 8.749 0.319 25448 6142 1 12 . 1 1 62 62 ARG N N 62 123.653 123.653 122.298 1.355 25448 6143 1 12 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.377 0.325 25448 6144 1 12 . 1 1 62 62 ARG CA C 62 54.386 54.386 54.896 -0.510 25448 6145 1 12 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.477 -0.520 25448 6146 1 12 . 1 1 62 62 ARG H H 62 8.749 8.749 8.534 0.215 25448 6147 1 12 . 1 1 63 63 GLU N N 63 125.033 125.033 124.163 0.870 25448 6148 1 12 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.848 0.150 25448 6149 1 12 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.758 0.120 25448 6150 1 12 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.147 2.836 25448 6151 1 12 . 1 1 63 63 GLU H H 63 8.973 8.973 9.159 -0.186 25448 6152 1 12 . 1 1 64 64 ARG N N 64 121.855 121.855 119.834 2.021 25448 6153 1 12 . 1 1 64 64 ARG HA H 64 3.900 3.900 3.830 0.070 25448 6154 1 12 . 1 1 64 64 ARG CA C 64 56.900 56.900 57.032 -0.132 25448 6155 1 12 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.121 -0.575 25448 6156 1 12 . 1 1 64 64 ARG H H 64 9.273 9.273 8.559 0.714 25448 6157 1 12 . 1 1 65 65 LEU N N 65 124.611 124.611 126.335 -1.724 25448 6158 1 12 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.856 -0.286 25448 6159 1 12 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.669 0.341 25448 6160 1 12 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.954 -0.231 25448 6161 1 12 . 1 1 65 65 LEU H H 65 8.823 8.823 8.693 0.130 25448 6162 1 12 . 1 1 66 66 GLU N N 66 115.188 115.188 118.913 -3.725 25448 6163 1 12 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.722 0.113 25448 6164 1 12 . 1 1 66 66 GLU CA C 66 59.654 59.654 60.123 -0.469 25448 6165 1 12 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.675 0.485 25448 6166 1 12 . 1 1 66 66 GLU H H 66 9.360 9.360 8.814 0.546 25448 6167 1 12 . 1 1 67 67 ASP N N 67 118.590 118.590 118.058 0.532 25448 6168 1 12 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.365 0.095 25448 6169 1 12 . 1 1 67 67 ASP CA C 67 56.567 56.567 57.028 -0.460 25448 6170 1 12 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.423 0.247 25448 6171 1 12 . 1 1 67 67 ASP H H 67 6.806 6.806 8.222 -1.416 25448 6172 1 12 . 1 1 68 68 VAL N N 68 119.985 119.985 118.696 1.289 25448 6173 1 12 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.692 -0.076 25448 6174 1 12 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.133 -0.063 25448 6175 1 12 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.610 0.557 25448 6176 1 12 . 1 1 68 68 VAL H H 68 7.414 7.414 7.988 -0.574 25448 6177 1 12 . 1 1 69 69 VAL N N 69 116.972 116.972 115.141 1.831 25448 6178 1 12 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.696 -0.194 25448 6179 1 12 . 1 1 69 69 VAL CA C 69 65.337 65.337 64.127 1.210 25448 6180 1 12 . 1 1 69 69 VAL CB C 69 32.036 32.036 31.047 0.989 25448 6181 1 12 . 1 1 69 69 VAL H H 69 8.261 8.261 8.320 -0.059 25448 6182 1 12 . 1 1 70 70 GLY N N 70 107.311 107.311 110.880 -3.569 25448 6183 1 12 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.444 1.166 25448 6184 1 12 . 1 1 70 70 GLY H H 70 7.395 7.395 8.163 -0.768 25448 6185 1 12 . 1 1 71 71 GLY N N 71 110.582 110.582 109.738 0.844 25448 6186 1 12 . 1 1 71 71 GLY CA C 71 45.176 45.176 44.675 0.501 25448 6187 1 12 . 1 1 71 71 GLY H H 71 8.831 8.831 8.419 0.412 25448 6188 1 12 . 1 1 72 72 CYS N N 72 118.742 118.742 118.243 0.499 25448 6189 1 12 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.455 0.043 25448 6190 1 12 . 1 1 72 72 CYS CA C 72 60.154 60.154 58.551 1.603 25448 6191 1 12 . 1 1 72 72 CYS CB C 72 29.295 29.295 27.459 1.835 25448 6192 1 12 . 1 1 72 72 CYS H H 72 7.613 7.613 7.665 -0.052 25448 6193 1 12 . 1 1 73 73 CYS N N 73 120.205 120.205 123.670 -3.465 25448 6194 1 12 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.512 0.019 25448 6195 1 12 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.762 0.030 25448 6196 1 12 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.542 -0.496 25448 6197 1 12 . 1 1 73 73 CYS H H 73 9.007 9.007 8.731 0.276 25448 6198 1 12 . 1 1 74 74 TYR N N 74 119.008 119.008 119.968 -0.960 25448 6199 1 12 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.782 -0.185 25448 6200 1 12 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.652 -1.062 25448 6201 1 12 . 1 1 74 74 TYR CB C 74 41.876 41.876 40.643 1.233 25448 6202 1 12 . 1 1 74 74 TYR H H 74 8.141 8.141 8.335 -0.194 25448 6203 1 12 . 1 1 75 75 ARG N N 75 115.457 115.457 118.539 -3.082 25448 6204 1 12 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.622 0.017 25448 6205 1 12 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.961 -0.966 25448 6206 1 12 . 1 1 75 75 ARG CB C 75 33.235 33.235 33.798 -0.563 25448 6207 1 12 . 1 1 75 75 ARG H H 75 9.008 9.008 9.272 -0.264 25448 6208 1 12 . 1 1 76 76 VAL N N 76 123.071 123.071 121.985 1.086 25448 6209 1 12 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.550 0.013 25448 6210 1 12 . 1 1 76 76 VAL CA C 76 62.968 62.968 61.873 1.095 25448 6211 1 12 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.237 -0.272 25448 6212 1 12 . 1 1 76 76 VAL H H 76 8.511 8.511 9.312 -0.801 25448 6213 1 12 . 1 1 77 77 ASN N N 77 126.125 126.125 126.206 -0.081 25448 6214 1 12 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.871 -0.016 25448 6215 1 12 . 1 1 77 77 ASN CA C 77 52.072 52.072 53.122 -1.050 25448 6216 1 12 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.508 -0.868 25448 6217 1 12 . 1 1 77 77 ASN H H 77 8.824 8.824 9.111 -0.287 25448 6218 1 12 . 1 1 78 78 ASN N N 78 124.269 124.269 124.492 -0.223 25448 6219 1 12 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.894 0.452 25448 6220 1 12 . 1 1 78 78 ASN CA C 78 52.124 52.124 53.057 -0.933 25448 6221 1 12 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.671 0.277 25448 6222 1 12 . 1 1 78 78 ASN H H 78 8.685 8.685 8.929 -0.244 25448 6223 1 12 . 1 1 79 79 SER N N 79 117.959 117.959 116.859 1.100 25448 6224 1 12 . 1 1 79 79 SER HA H 79 4.112 4.112 4.267 -0.155 25448 6225 1 12 . 1 1 79 79 SER CA C 79 62.669 62.669 61.135 1.534 25448 6226 1 12 . 1 1 79 79 SER CB C 79 63.727 63.727 63.502 0.225 25448 6227 1 12 . 1 1 79 79 SER H H 79 8.109 8.109 8.261 -0.152 25448 6228 1 12 . 1 1 80 80 LEU N N 80 121.272 121.272 121.374 -0.102 25448 6229 1 12 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.132 0.338 25448 6230 1 12 . 1 1 80 80 LEU CA C 80 55.542 55.542 55.881 -0.339 25448 6231 1 12 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.219 0.281 25448 6232 1 12 . 1 1 80 80 LEU H H 80 7.947 7.947 8.079 -0.132 25448 6233 1 12 . 1 1 81 81 ASP N N 81 121.692 121.692 120.668 1.024 25448 6234 1 12 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.379 0.711 25448 6235 1 12 . 1 1 81 81 ASP CA C 81 56.604 56.604 57.129 -0.525 25448 6236 1 12 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.049 -0.749 25448 6237 1 12 . 1 1 81 81 ASP H H 81 8.294 8.294 7.728 0.566 25448 6238 1 12 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.505 -0.050 25448 6239 1 12 . 1 1 82 82 HIS CA C 82 57.900 57.900 58.166 -0.266 25448 6240 1 12 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.477 -0.711 25448 6241 1 12 . 1 1 83 83 GLU N N 83 118.940 118.940 117.792 1.148 25448 6242 1 12 . 1 1 83 83 GLU HA H 83 4.153 4.153 3.991 0.162 25448 6243 1 12 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.080 -0.209 25448 6244 1 12 . 1 1 83 83 GLU CB C 83 32.422 32.422 30.953 1.469 25448 6245 1 12 . 1 1 83 83 GLU H H 83 7.476 7.476 7.649 -0.173 25448 6246 1 12 . 1 1 84 84 TYR N N 84 119.225 119.225 117.887 1.338 25448 6247 1 12 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.736 0.030 25448 6248 1 12 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.576 -1.653 25448 6249 1 12 . 1 1 84 84 TYR CB C 84 41.224 41.224 40.082 1.142 25448 6250 1 12 . 1 1 84 84 TYR H H 84 8.207 8.207 8.199 0.008 25448 6251 1 12 . 1 1 85 85 GLN N N 85 119.667 119.667 121.975 -2.308 25448 6252 1 12 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.515 0.283 25448 6253 1 12 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.665 -1.462 25448 6254 1 12 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.179 1.187 25448 6255 1 12 . 1 1 85 85 GLN H H 85 8.264 8.264 8.875 -0.611 25448 6256 1 12 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.369 0.053 25448 6257 1 12 . 1 1 86 86 PRO CA C 86 62.611 62.611 64.077 -1.466 25448 6258 1 12 . 1 1 86 86 PRO CB C 86 31.850 31.850 31.925 -0.076 25448 6259 1 12 . 1 1 87 87 ARG N N 87 121.150 121.150 121.783 -0.633 25448 6260 1 12 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.728 -0.323 25448 6261 1 12 . 1 1 87 87 ARG CA C 87 55.600 55.600 53.311 2.289 25448 6262 1 12 . 1 1 87 87 ARG CB C 87 29.301 29.301 29.693 -0.392 25448 6263 1 12 . 1 1 87 87 ARG H H 87 8.254 8.254 8.080 0.174 25448 6264 1 12 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.597 -0.150 25448 6265 1 12 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.432 0.547 25448 6266 1 12 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.426 -0.156 25448 6267 1 12 . 1 1 89 89 VAL N N 89 125.682 125.682 126.674 -0.992 25448 6268 1 12 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.681 -0.180 25448 6269 1 12 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.432 1.979 25448 6270 1 12 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.161 -0.526 25448 6271 1 12 . 1 1 89 89 VAL H H 89 8.678 8.678 8.690 -0.012 25448 6272 1 12 . 1 1 90 90 GLU N N 90 117.092 117.092 118.839 -1.747 25448 6273 1 12 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.085 -0.058 25448 6274 1 12 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.484 0.531 25448 6275 1 12 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.740 -0.107 25448 6276 1 12 . 1 1 90 90 GLU H H 90 9.318 9.318 8.898 0.420 25448 6277 1 12 . 1 1 91 91 VAL N N 91 119.967 119.967 120.265 -0.298 25448 6278 1 12 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.766 0.098 25448 6279 1 12 . 1 1 91 91 VAL CA C 91 65.000 65.000 66.120 -1.120 25448 6280 1 12 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.605 0.296 25448 6281 1 12 . 1 1 91 91 VAL H H 91 7.153 7.153 7.556 -0.403 25448 6282 1 12 . 1 1 92 92 ILE N N 92 122.669 122.669 121.688 0.981 25448 6283 1 12 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.916 -0.606 25448 6284 1 12 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.527 1.184 25448 6285 1 12 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.894 0.669 25448 6286 1 12 . 1 1 92 92 ILE H H 92 8.004 8.004 7.636 0.368 25448 6287 1 12 . 1 1 93 93 ILE N N 93 115.049 115.049 119.459 -4.410 25448 6288 1 12 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.581 -0.049 25448 6289 1 12 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.674 -0.589 25448 6290 1 12 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.578 -0.415 25448 6291 1 12 . 1 1 93 93 ILE H H 93 8.305 8.305 8.311 -0.006 25448 6292 1 12 . 1 1 94 94 SER N N 94 115.196 115.196 116.099 -0.903 25448 6293 1 12 . 1 1 94 94 SER HA H 94 4.101 4.101 3.987 0.114 25448 6294 1 12 . 1 1 94 94 SER CA C 94 62.300 62.300 61.891 0.409 25448 6295 1 12 . 1 1 94 94 SER H H 94 7.927 7.927 8.463 -0.536 25448 6296 1 12 . 1 1 95 95 SER N N 95 117.891 117.891 118.183 -0.292 25448 6297 1 12 . 1 1 95 95 SER HA H 95 4.209 4.209 4.068 0.141 25448 6298 1 12 . 1 1 95 95 SER CA C 95 62.100 62.100 62.294 -0.194 25448 6299 1 12 . 1 1 95 95 SER CB C 95 62.714 62.714 63.028 -0.313 25448 6300 1 12 . 1 1 95 95 SER H H 95 8.174 8.174 8.308 -0.134 25448 6301 1 12 . 1 1 96 96 ALA N N 96 123.830 123.830 124.316 -0.486 25448 6302 1 12 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.057 -0.166 25448 6303 1 12 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.487 -0.211 25448 6304 1 12 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.266 1.682 25448 6305 1 12 . 1 1 96 96 ALA H H 96 8.110 8.110 8.195 -0.085 25448 6306 1 12 . 1 1 97 97 LYS N N 97 115.893 115.893 117.646 -1.753 25448 6307 1 12 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.963 -0.155 25448 6308 1 12 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.569 0.780 25448 6309 1 12 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.400 0.298 25448 6310 1 12 . 1 1 97 97 LYS H H 97 8.218 8.218 8.181 0.037 25448 6311 1 12 . 1 1 98 98 GLU N N 98 117.006 117.006 116.746 0.260 25448 6312 1 12 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.132 0.008 25448 6313 1 12 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.048 0.174 25448 6314 1 12 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.871 -0.095 25448 6315 1 12 . 1 1 98 98 GLU H H 98 7.474 7.474 8.040 -0.566 25448 6316 1 12 . 1 1 99 99 MET N N 99 114.572 114.572 117.819 -3.247 25448 6317 1 12 . 1 1 99 99 MET HA H 99 4.533 4.533 4.354 0.179 25448 6318 1 12 . 1 1 99 99 MET CA C 99 55.292 55.292 57.787 -2.495 25448 6319 1 12 . 1 1 99 99 MET CB C 99 33.777 33.777 34.039 -0.262 25448 6320 1 12 . 1 1 99 99 MET H H 99 7.378 7.378 7.951 -0.573 25448 6321 1 12 . 1 1 100 100 VAL N N 100 119.104 119.104 118.669 0.435 25448 6322 1 12 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.489 -0.223 25448 6323 1 12 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.065 0.982 25448 6324 1 12 . 1 1 100 100 VAL CB C 100 31.325 31.325 31.488 -0.164 25448 6325 1 12 . 1 1 100 100 VAL H H 100 7.056 7.056 8.012 -0.956 25448 6326 1 12 . 1 1 101 101 GLY N N 101 116.779 116.779 114.329 2.450 25448 6327 1 12 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.746 -0.095 25448 6328 1 12 . 1 1 101 101 GLY H H 101 8.979 8.979 8.694 0.285 25448 6329 1 12 . 1 1 102 102 GLN N N 102 119.990 119.990 119.919 0.071 25448 6330 1 12 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.540 -0.343 25448 6331 1 12 . 1 1 102 102 GLN C C 102 174.994 174.994 174.877 0.117 25448 6332 1 12 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.574 1.089 25448 6333 1 12 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.398 -1.462 25448 6334 1 12 . 1 1 102 102 GLN H H 102 8.103 8.103 8.076 0.027 25448 6335 1 12 . 1 1 103 103 LYS N N 103 120.261 120.261 121.250 -0.989 25448 6336 1 12 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.304 -0.038 25448 6337 1 12 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.048 -0.406 25448 6338 1 12 . 1 1 103 103 LYS CB C 103 34.196 34.196 35.730 -1.534 25448 6339 1 12 . 1 1 103 103 LYS H H 103 8.310 8.310 8.419 -0.109 25448 6340 1 12 . 1 1 104 104 MET N N 104 119.868 119.868 120.181 -0.313 25448 6341 1 12 . 1 1 104 104 MET HA H 104 4.692 4.692 4.857 -0.165 25448 6342 1 12 . 1 1 104 104 MET CA C 104 54.276 54.276 54.513 -0.237 25448 6343 1 12 . 1 1 104 104 MET CB C 104 36.831 36.831 36.871 -0.040 25448 6344 1 12 . 1 1 104 104 MET H H 104 8.556 8.556 9.044 -0.488 25448 6345 1 12 . 1 1 105 105 LYS N N 105 120.932 120.932 122.950 -2.018 25448 6346 1 12 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.339 0.027 25448 6347 1 12 . 1 1 105 105 LYS CA C 105 57.100 57.100 57.197 -0.097 25448 6348 1 12 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.662 0.228 25448 6349 1 12 . 1 1 105 105 LYS H H 105 8.257 8.257 8.605 -0.348 25448 6350 1 12 . 1 1 106 106 TYR N N 106 122.600 122.600 127.378 -4.778 25448 6351 1 12 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.500 -0.082 25448 6352 1 12 . 1 1 106 106 TYR CA C 106 56.726 56.726 59.365 -2.639 25448 6353 1 12 . 1 1 106 106 TYR CB C 106 38.561 38.561 39.535 -0.974 25448 6354 1 12 . 1 1 106 106 TYR H H 106 8.378 8.378 8.480 -0.102 25448 6355 1 12 . 1 1 107 107 SER N N 107 116.904 116.904 120.037 -3.133 25448 6356 1 12 . 1 1 107 107 SER CA C 107 56.717 56.717 55.676 1.040 25448 6357 1 12 . 1 1 107 107 SER CB C 107 63.983 63.983 64.903 -0.920 25448 6358 1 12 . 1 1 107 107 SER H H 107 8.044 8.044 7.906 0.138 25448 6359 1 12 . 1 1 109 109 VAL HA H 109 4.013 4.013 4.570 -0.557 25448 6360 1 12 . 1 1 109 109 VAL CA C 109 64.307 64.307 61.057 3.250 25448 6361 1 12 . 1 1 109 109 VAL CB C 109 32.000 32.000 35.217 -3.217 25448 6362 1 12 . 1 1 111 111 ARG HA H 111 4.372 4.372 3.757 0.615 25448 6363 1 12 . 1 1 111 111 ARG CA C 111 57.100 57.100 59.138 -2.038 25448 6364 1 12 . 1 1 111 111 ARG CB C 111 28.110 28.110 29.824 -1.714 25448 6365 1 12 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.395 0.093 25448 6366 1 12 . 1 1 113 113 CYS CA C 113 61.609 61.609 64.055 -2.446 25448 6367 1 12 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.481 -0.681 25448 6368 1 12 . 1 1 114 114 GLU N N 114 125.287 125.287 121.096 4.191 25448 6369 1 12 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.252 0.187 25448 6370 1 12 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.026 -0.357 25448 6371 1 12 . 1 1 114 114 GLU CB C 114 30.058 30.058 28.269 1.789 25448 6372 1 12 . 1 1 114 114 GLU H H 114 7.720 7.720 7.433 0.287 25448 6373 1 12 . 1 1 115 115 HIS N N 115 119.008 119.008 117.794 1.214 25448 6374 1 12 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.218 0.179 25448 6375 1 12 . 1 1 115 115 HIS CA C 115 58.460 58.460 58.474 -0.014 25448 6376 1 12 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.368 0.693 25448 6377 1 12 . 1 1 115 115 HIS H H 115 8.051 8.051 7.645 0.406 25448 6378 1 12 . 1 1 116 116 PHE N N 116 117.059 117.059 121.824 -4.765 25448 6379 1 12 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.164 0.184 25448 6380 1 12 . 1 1 116 116 PHE CA C 116 61.077 61.077 61.029 0.048 25448 6381 1 12 . 1 1 116 116 PHE CB C 116 39.598 39.598 39.120 0.478 25448 6382 1 12 . 1 1 116 116 PHE H H 116 8.168 8.168 8.353 -0.185 25448 6383 1 12 . 1 1 117 117 VAL N N 117 107.857 107.857 115.419 -7.562 25448 6384 1 12 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.224 0.641 25448 6385 1 12 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.519 -0.927 25448 6386 1 12 . 1 1 117 117 VAL CB C 117 30.573 30.573 30.609 -0.036 25448 6387 1 12 . 1 1 117 117 VAL H H 117 7.080 7.080 8.402 -1.322 25448 6388 1 12 . 1 1 118 118 THR N N 118 117.382 117.382 117.890 -0.508 25448 6389 1 12 . 1 1 118 118 THR HA H 118 4.046 4.046 3.878 0.168 25448 6390 1 12 . 1 1 118 118 THR CA C 118 66.745 66.745 67.032 -0.287 25448 6391 1 12 . 1 1 118 118 THR CB C 118 68.185 68.185 68.513 -0.328 25448 6392 1 12 . 1 1 118 118 THR H H 118 8.465 8.465 8.255 0.210 25448 6393 1 12 . 1 1 119 119 GLN N N 119 121.900 121.900 120.984 0.916 25448 6394 1 12 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.088 -0.203 25448 6395 1 12 . 1 1 119 119 GLN CA C 119 59.002 59.002 59.023 -0.021 25448 6396 1 12 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.468 -0.857 25448 6397 1 12 . 1 1 119 119 GLN H H 119 8.074 8.074 7.767 0.307 25448 6398 1 12 . 1 1 120 120 LEU N N 120 117.899 117.899 118.430 -0.531 25448 6399 1 12 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.959 -0.124 25448 6400 1 12 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.778 -0.351 25448 6401 1 12 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.294 0.940 25448 6402 1 12 . 1 1 120 120 LEU H H 120 6.829 6.829 7.483 -0.654 25448 6403 1 12 . 1 1 121 121 ARG N N 121 117.250 117.250 118.002 -0.752 25448 6404 1 12 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.108 -0.188 25448 6405 1 12 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.687 0.356 25448 6406 1 12 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.764 -0.508 25448 6407 1 12 . 1 1 121 121 ARG H H 121 7.677 7.677 7.616 0.061 25448 6408 1 12 . 1 1 122 122 TYR N N 122 111.508 111.508 121.204 -9.696 25448 6409 1 12 . 1 1 122 122 TYR HA H 122 4.640 4.640 3.930 0.710 25448 6410 1 12 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.272 -1.750 25448 6411 1 12 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.143 1.531 25448 6412 1 12 . 1 1 122 122 TYR H H 122 8.114 8.114 8.877 -0.763 25448 6413 1 12 . 1 1 123 123 GLY N N 123 109.399 109.399 105.092 4.307 25448 6414 1 12 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.126 1.215 25448 6415 1 12 . 1 1 123 123 GLY H H 123 8.032 8.032 7.774 0.258 25448 6416 1 12 . 1 1 124 124 LYS N N 124 117.936 117.936 119.685 -1.749 25448 6417 1 12 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.032 0.320 25448 6418 1 12 . 1 1 124 124 LYS CA C 124 55.200 55.200 56.156 -0.956 25448 6419 1 12 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.566 1.432 25448 6420 1 12 . 1 1 124 124 LYS H H 124 7.402 7.402 7.045 0.357 25448 6421 1 13 . 1 1 3 3 SER N N 3 113.812 113.812 116.861 -3.049 25448 6422 1 13 . 1 1 3 3 SER HA H 3 4.697 4.697 4.472 0.225 25448 6423 1 13 . 1 1 3 3 SER CA C 3 58.996 58.996 56.944 2.052 25448 6424 1 13 . 1 1 3 3 SER CB C 3 63.800 63.800 63.639 0.161 25448 6425 1 13 . 1 1 3 3 SER H H 3 7.587 7.587 8.280 -0.693 25448 6426 1 13 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.539 -0.126 25448 6427 1 13 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.710 -0.356 25448 6428 1 13 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.257 -0.357 25448 6429 1 13 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.674 -0.117 25448 6430 1 13 . 1 1 5 5 HIS CA C 5 56.230 56.230 54.361 1.869 25448 6431 1 13 . 1 1 5 5 HIS CB C 5 30.500 30.500 29.958 0.542 25448 6432 1 13 . 1 1 5 5 HIS H H 5 6.984 6.984 7.214 -0.230 25448 6433 1 13 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.264 0.024 25448 6434 1 13 . 1 1 6 6 GLN CA C 6 55.174 55.174 56.161 -0.987 25448 6435 1 13 . 1 1 6 6 GLN CB C 6 30.042 30.042 29.337 0.706 25448 6436 1 13 . 1 1 7 7 GLU N N 7 124.477 124.477 124.227 0.250 25448 6437 1 13 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.612 -0.123 25448 6438 1 13 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.294 0.817 25448 6439 1 13 . 1 1 7 7 GLU CB C 7 29.912 29.912 30.989 -1.077 25448 6440 1 13 . 1 1 7 7 GLU H H 7 8.353 8.353 8.507 -0.154 25448 6441 1 13 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.594 -0.250 25448 6442 1 13 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.443 -0.045 25448 6443 1 13 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.303 -0.903 25448 6444 1 13 . 1 1 9 9 LYS N N 9 122.328 122.328 120.766 1.562 25448 6445 1 13 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.972 -0.099 25448 6446 1 13 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.517 0.633 25448 6447 1 13 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.058 -0.919 25448 6448 1 13 . 1 1 9 9 LYS H H 9 9.336 9.336 9.112 0.224 25448 6449 1 13 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.090 -0.167 25448 6450 1 13 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.730 -0.196 25448 6451 1 13 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.498 0.131 25448 6452 1 13 . 1 1 11 11 GLY N N 11 112.758 112.758 115.128 -2.370 25448 6453 1 13 . 1 1 11 11 GLY CA C 11 45.182 45.182 44.900 0.282 25448 6454 1 13 . 1 1 11 11 GLY H H 11 9.359 9.359 9.001 0.358 25448 6455 1 13 . 1 1 12 12 ASP N N 12 120.500 120.500 122.645 -2.145 25448 6456 1 13 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.821 0.049 25448 6457 1 13 . 1 1 12 12 ASP CA C 12 55.211 55.211 55.386 -0.175 25448 6458 1 13 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.890 1.056 25448 6459 1 13 . 1 1 12 12 ASP H H 12 8.277 8.277 8.207 0.070 25448 6460 1 13 . 1 1 13 13 LEU N N 13 119.594 119.594 123.375 -3.781 25448 6461 1 13 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.958 0.019 25448 6462 1 13 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.535 -0.546 25448 6463 1 13 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.316 -1.117 25448 6464 1 13 . 1 1 13 13 LEU H H 13 9.103 9.103 8.581 0.522 25448 6465 1 13 . 1 1 14 14 ILE N N 14 121.352 121.352 124.970 -3.618 25448 6466 1 13 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.713 -0.103 25448 6467 1 13 . 1 1 14 14 ILE CA C 14 58.178 58.178 58.644 -0.466 25448 6468 1 13 . 1 1 14 14 ILE CB C 14 39.213 39.213 37.270 1.944 25448 6469 1 13 . 1 1 14 14 ILE H H 14 9.221 9.221 9.307 -0.086 25448 6470 1 13 . 1 1 15 15 GLU N N 15 129.555 129.555 128.496 1.059 25448 6471 1 13 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.732 -1.514 25448 6472 1 13 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.479 -0.031 25448 6473 1 13 . 1 1 15 15 GLU CB C 15 31.783 31.783 32.316 -0.532 25448 6474 1 13 . 1 1 15 15 GLU H H 15 8.625 8.625 9.224 -0.599 25448 6475 1 13 . 1 1 16 16 ILE N N 16 125.258 125.258 125.789 -0.531 25448 6476 1 13 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.363 -0.254 25448 6477 1 13 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.691 0.808 25448 6478 1 13 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.083 0.318 25448 6479 1 13 . 1 1 16 16 ILE H H 16 8.557 8.557 8.760 -0.203 25448 6480 1 13 . 1 1 17 17 PHE N N 17 127.058 127.058 126.493 0.565 25448 6481 1 13 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.522 -0.020 25448 6482 1 13 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.358 2.581 25448 6483 1 13 . 1 1 17 17 PHE CB C 17 37.496 37.496 36.504 0.992 25448 6484 1 13 . 1 1 17 17 PHE H H 17 8.500 8.500 8.806 -0.306 25448 6485 1 13 . 1 1 18 18 ARG N N 18 124.569 124.569 121.049 3.520 25448 6486 1 13 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.046 0.604 25448 6487 1 13 . 1 1 18 18 ARG CA C 18 54.596 54.596 56.007 -1.411 25448 6488 1 13 . 1 1 18 18 ARG CB C 18 30.206 30.206 30.730 -0.524 25448 6489 1 13 . 1 1 18 18 ARG H H 18 7.686 7.686 7.442 0.244 25448 6490 1 13 . 1 1 19 19 LEU N N 19 121.049 121.049 124.980 -3.931 25448 6491 1 13 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.115 0.309 25448 6492 1 13 . 1 1 19 19 LEU CA C 19 56.123 56.123 56.259 -0.136 25448 6493 1 13 . 1 1 19 19 LEU CB C 19 40.296 40.296 41.953 -1.657 25448 6494 1 13 . 1 1 19 19 LEU H H 19 8.103 8.103 8.508 -0.405 25448 6495 1 13 . 1 1 20 20 GLY N N 20 115.623 115.623 112.226 3.397 25448 6496 1 13 . 1 1 20 20 GLY CA C 20 45.736 45.736 45.773 -0.036 25448 6497 1 13 . 1 1 20 20 GLY H H 20 8.686 8.686 8.816 -0.130 25448 6498 1 13 . 1 1 21 21 TYR N N 21 115.905 115.905 120.766 -4.861 25448 6499 1 13 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.695 0.065 25448 6500 1 13 . 1 1 21 21 TYR CA C 21 56.507 56.507 56.133 0.374 25448 6501 1 13 . 1 1 21 21 TYR CB C 21 38.631 38.631 41.767 -3.136 25448 6502 1 13 . 1 1 21 21 TYR H H 21 7.433 7.433 7.686 -0.253 25448 6503 1 13 . 1 1 22 22 GLU N N 22 116.649 116.649 121.712 -5.063 25448 6504 1 13 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.252 0.908 25448 6505 1 13 . 1 1 22 22 GLU CA C 22 56.255 56.255 56.202 0.053 25448 6506 1 13 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.338 1.829 25448 6507 1 13 . 1 1 22 22 GLU H H 22 8.139 8.139 8.565 -0.426 25448 6508 1 13 . 1 1 23 23 HIS N N 23 122.171 122.171 117.933 4.238 25448 6509 1 13 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.935 0.653 25448 6510 1 13 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.563 -0.402 25448 6511 1 13 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.278 1.092 25448 6512 1 13 . 1 1 23 23 HIS H H 23 8.943 8.943 8.586 0.357 25448 6513 1 13 . 1 1 24 24 TRP N N 24 124.412 124.412 119.001 5.411 25448 6514 1 13 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.764 -0.067 25448 6515 1 13 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.483 -0.577 25448 6516 1 13 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.849 -1.692 25448 6517 1 13 . 1 1 24 24 TRP H H 24 6.764 6.764 8.831 -2.067 25448 6518 1 13 . 1 1 25 25 ALA N N 25 121.149 121.149 121.742 -0.593 25448 6519 1 13 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.181 -0.320 25448 6520 1 13 . 1 1 25 25 ALA CA C 25 50.352 50.352 50.995 -0.643 25448 6521 1 13 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.404 -0.451 25448 6522 1 13 . 1 1 25 25 ALA H H 25 9.336 9.336 9.271 0.065 25448 6523 1 13 . 1 1 26 26 LEU N N 26 122.472 122.472 123.678 -1.206 25448 6524 1 13 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.119 0.141 25448 6525 1 13 . 1 1 26 26 LEU CA C 26 53.641 53.641 53.365 0.276 25448 6526 1 13 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.083 2.338 25448 6527 1 13 . 1 1 26 26 LEU H H 26 8.835 8.835 9.053 -0.218 25448 6528 1 13 . 1 1 27 27 TYR N N 27 128.215 128.215 129.479 -1.264 25448 6529 1 13 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.781 -0.029 25448 6530 1 13 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.214 1.588 25448 6531 1 13 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.903 -1.233 25448 6532 1 13 . 1 1 27 27 TYR H H 27 9.750 9.750 9.285 0.465 25448 6533 1 13 . 1 1 28 28 ILE N N 28 119.796 119.796 122.212 -2.416 25448 6534 1 13 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.454 0.119 25448 6535 1 13 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.040 0.778 25448 6536 1 13 . 1 1 28 28 ILE CB C 28 38.900 38.900 38.295 0.605 25448 6537 1 13 . 1 1 28 28 ILE H H 28 8.196 8.196 8.216 -0.020 25448 6538 1 13 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.715 -1.715 25448 6539 1 13 . 1 1 29 29 GLY H H 29 6.584 6.584 7.613 -1.029 25448 6540 1 13 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.628 -0.206 25448 6541 1 13 . 1 1 30 30 ASP CA C 30 55.640 55.640 53.726 1.914 25448 6542 1 13 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.133 0.120 25448 6543 1 13 . 1 1 30 30 ASP H H 30 6.837 6.837 7.674 -0.837 25448 6544 1 13 . 1 1 31 31 GLY N N 31 124.953 124.953 106.333 18.620 25448 6545 1 13 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.536 0.002 25448 6546 1 13 . 1 1 31 31 GLY H H 31 8.120 8.120 7.467 0.653 25448 6547 1 13 . 1 1 32 32 TYR N N 32 120.196 120.196 120.616 -0.420 25448 6548 1 13 . 1 1 32 32 TYR HA H 32 4.930 4.930 4.907 0.023 25448 6549 1 13 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.488 0.300 25448 6550 1 13 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.485 1.510 25448 6551 1 13 . 1 1 32 32 TYR H H 32 7.843 7.843 7.558 0.285 25448 6552 1 13 . 1 1 33 33 VAL N N 33 109.892 109.892 113.761 -3.869 25448 6553 1 13 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.213 0.253 25448 6554 1 13 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.538 -2.078 25448 6555 1 13 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.561 -0.404 25448 6556 1 13 . 1 1 33 33 VAL H H 33 9.242 9.242 9.344 -0.102 25448 6557 1 13 . 1 1 34 34 ILE N N 34 119.424 119.424 122.599 -3.175 25448 6558 1 13 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.339 0.216 25448 6559 1 13 . 1 1 34 34 ILE CA C 34 60.331 60.331 60.086 0.245 25448 6560 1 13 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.088 0.844 25448 6561 1 13 . 1 1 34 34 ILE H H 34 9.084 9.084 9.056 0.028 25448 6562 1 13 . 1 1 35 35 HIS N N 35 123.118 123.118 121.170 1.948 25448 6563 1 13 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.293 -0.135 25448 6564 1 13 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.415 -0.197 25448 6565 1 13 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.775 2.225 25448 6566 1 13 . 1 1 35 35 HIS H H 35 9.110 9.110 9.144 -0.034 25448 6567 1 13 . 1 1 36 36 LEU N N 36 123.704 123.704 122.091 1.613 25448 6568 1 13 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.628 -0.544 25448 6569 1 13 . 1 1 36 36 LEU CA C 36 53.682 53.682 53.104 0.578 25448 6570 1 13 . 1 1 36 36 LEU CB C 36 41.631 41.631 44.699 -3.068 25448 6571 1 13 . 1 1 36 36 LEU H H 36 8.991 8.991 8.678 0.313 25448 6572 1 13 . 1 1 37 37 ALA N N 37 129.765 129.765 129.333 0.432 25448 6573 1 13 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.564 -0.237 25448 6574 1 13 . 1 1 37 37 ALA CA C 37 49.698 49.698 50.541 -0.842 25448 6575 1 13 . 1 1 37 37 ALA CB C 37 19.428 19.428 18.227 1.201 25448 6576 1 13 . 1 1 37 37 ALA H H 37 8.050 8.050 8.629 -0.579 25448 6577 1 13 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.530 -0.526 25448 6578 1 13 . 1 1 38 38 PRO CA C 38 60.800 60.800 63.361 -2.561 25448 6579 1 13 . 1 1 38 38 PRO CB C 38 30.528 30.528 30.758 -0.230 25448 6580 1 13 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.276 0.098 25448 6581 1 13 . 1 1 39 39 PRO CA C 39 62.900 62.900 64.054 -1.154 25448 6582 1 13 . 1 1 39 39 PRO CB C 39 32.000 32.000 31.632 0.368 25448 6583 1 13 . 1 1 40 40 SER N N 40 114.906 114.906 117.023 -2.117 25448 6584 1 13 . 1 1 40 40 SER HA H 40 4.326 4.326 4.307 0.019 25448 6585 1 13 . 1 1 40 40 SER CA C 40 58.700 58.700 57.640 1.060 25448 6586 1 13 . 1 1 40 40 SER CB C 40 64.004 64.004 64.817 -0.813 25448 6587 1 13 . 1 1 40 40 SER H H 40 8.184 8.184 8.009 0.175 25448 6588 1 13 . 1 1 41 41 GLU N N 41 121.221 121.221 118.092 3.129 25448 6589 1 13 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.003 0.258 25448 6590 1 13 . 1 1 41 41 GLU CA C 41 56.424 56.424 57.443 -1.019 25448 6591 1 13 . 1 1 41 41 GLU CB C 41 30.514 30.514 29.323 1.191 25448 6592 1 13 . 1 1 41 41 GLU H H 41 8.401 8.401 8.131 0.270 25448 6593 1 13 . 1 1 42 42 TYR N N 42 121.900 121.900 123.559 -1.659 25448 6594 1 13 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.628 0.152 25448 6595 1 13 . 1 1 42 42 TYR CA C 42 55.700 55.700 56.291 -0.591 25448 6596 1 13 . 1 1 42 42 TYR CB C 42 38.400 38.400 39.198 -0.798 25448 6597 1 13 . 1 1 42 42 TYR H H 42 8.117 8.117 8.393 -0.276 25448 6598 1 13 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.465 -0.062 25448 6599 1 13 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.597 0.883 25448 6600 1 13 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.654 -0.854 25448 6601 1 13 . 1 1 44 44 GLY N N 44 109.030 109.030 106.474 2.556 25448 6602 1 13 . 1 1 44 44 GLY CA C 44 45.244 45.244 45.324 -0.080 25448 6603 1 13 . 1 1 44 44 GLY H H 44 8.001 8.001 8.456 -0.455 25448 6604 1 13 . 1 1 45 45 ALA N N 45 123.500 123.500 122.343 1.157 25448 6605 1 13 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.265 0.047 25448 6606 1 13 . 1 1 45 45 ALA CA C 45 52.853 52.853 53.201 -0.348 25448 6607 1 13 . 1 1 45 45 ALA CB C 45 19.322 19.322 18.778 0.544 25448 6608 1 13 . 1 1 45 45 ALA H H 45 8.082 8.082 8.382 -0.300 25448 6609 1 13 . 1 1 46 46 GLY N N 46 108.151 108.151 106.409 1.742 25448 6610 1 13 . 1 1 46 46 GLY CA C 46 45.460 45.460 43.576 1.884 25448 6611 1 13 . 1 1 46 46 GLY H H 46 8.408 8.408 7.613 0.795 25448 6612 1 13 . 1 1 48 48 SER N N 48 116.904 116.904 117.105 -0.201 25448 6613 1 13 . 1 1 48 48 SER HA H 48 4.700 4.700 4.496 0.204 25448 6614 1 13 . 1 1 48 48 SER H H 48 8.044 8.044 7.943 0.101 25448 6615 1 13 . 1 1 49 49 SER HA H 49 4.456 4.456 4.277 0.179 25448 6616 1 13 . 1 1 49 49 SER CA C 49 58.713 58.713 58.150 0.563 25448 6617 1 13 . 1 1 49 49 SER CB C 49 64.000 64.000 63.247 0.753 25448 6618 1 13 . 1 1 50 50 VAL N N 50 120.352 120.352 123.224 -2.872 25448 6619 1 13 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.714 0.319 25448 6620 1 13 . 1 1 50 50 VAL CA C 50 62.816 62.816 64.305 -1.489 25448 6621 1 13 . 1 1 50 50 VAL CB C 50 32.416 32.416 31.609 0.807 25448 6622 1 13 . 1 1 50 50 VAL H H 50 7.890 7.890 8.584 -0.694 25448 6623 1 13 . 1 1 51 51 PHE N N 51 121.600 121.600 118.180 3.420 25448 6624 1 13 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.246 0.330 25448 6625 1 13 . 1 1 51 51 PHE CA C 51 58.198 58.198 60.110 -1.912 25448 6626 1 13 . 1 1 51 51 PHE CB C 51 39.470 39.470 38.288 1.182 25448 6627 1 13 . 1 1 51 51 PHE H H 51 7.989 7.989 7.864 0.125 25448 6628 1 13 . 1 1 52 52 SER N N 52 116.521 116.521 113.637 2.884 25448 6629 1 13 . 1 1 52 52 SER HA H 52 4.429 4.429 4.436 -0.007 25448 6630 1 13 . 1 1 52 52 SER C C 52 174.445 174.445 174.158 0.287 25448 6631 1 13 . 1 1 52 52 SER CA C 52 58.365 58.365 60.194 -1.829 25448 6632 1 13 . 1 1 52 52 SER CB C 52 64.018 64.018 64.573 -0.555 25448 6633 1 13 . 1 1 52 52 SER H H 52 8.018 8.018 7.916 0.102 25448 6634 1 13 . 1 1 53 53 VAL N N 53 120.571 120.571 115.448 5.123 25448 6635 1 13 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.272 -0.169 25448 6636 1 13 . 1 1 53 53 VAL CA C 53 62.979 62.979 61.499 1.480 25448 6637 1 13 . 1 1 53 53 VAL CB C 53 32.416 32.416 33.733 -1.317 25448 6638 1 13 . 1 1 53 53 VAL H H 53 7.959 7.959 7.436 0.523 25448 6639 1 13 . 1 1 54 54 LEU N N 54 123.703 123.703 124.566 -0.863 25448 6640 1 13 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.314 0.052 25448 6641 1 13 . 1 1 54 54 LEU CA C 54 55.500 55.500 55.486 0.014 25448 6642 1 13 . 1 1 54 54 LEU CB C 54 42.293 42.293 42.251 0.042 25448 6643 1 13 . 1 1 54 54 LEU H H 54 8.095 8.095 8.371 -0.276 25448 6644 1 13 . 1 1 55 55 SER N N 55 115.309 115.309 112.506 2.803 25448 6645 1 13 . 1 1 55 55 SER HA H 55 4.399 4.399 4.571 -0.172 25448 6646 1 13 . 1 1 55 55 SER CA C 55 58.365 58.365 57.229 1.136 25448 6647 1 13 . 1 1 55 55 SER CB C 55 64.110 64.110 65.164 -1.054 25448 6648 1 13 . 1 1 55 55 SER H H 55 8.063 8.063 7.543 0.520 25448 6649 1 13 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.947 -0.029 25448 6650 1 13 . 1 1 56 56 ASN CA C 56 53.151 53.151 52.785 0.366 25448 6651 1 13 . 1 1 56 56 ASN CB C 56 39.339 39.339 40.949 -1.610 25448 6652 1 13 . 1 1 57 57 SER N N 57 115.102 115.102 114.523 0.579 25448 6653 1 13 . 1 1 57 57 SER HA H 57 4.694 4.694 4.620 0.074 25448 6654 1 13 . 1 1 57 57 SER CA C 57 58.307 58.307 57.750 0.557 25448 6655 1 13 . 1 1 57 57 SER CB C 57 64.838 64.838 65.995 -1.157 25448 6656 1 13 . 1 1 57 57 SER H H 57 8.065 8.065 8.457 -0.392 25448 6657 1 13 . 1 1 58 58 ALA N N 58 125.610 125.610 124.819 0.791 25448 6658 1 13 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.447 0.047 25448 6659 1 13 . 1 1 58 58 ALA CA C 58 51.281 51.281 51.445 -0.164 25448 6660 1 13 . 1 1 58 58 ALA CB C 58 22.479 22.479 20.005 2.474 25448 6661 1 13 . 1 1 58 58 ALA H H 58 8.548 8.548 8.698 -0.150 25448 6662 1 13 . 1 1 59 59 GLU N N 59 120.190 120.190 120.541 -0.351 25448 6663 1 13 . 1 1 59 59 GLU HA H 59 5.033 5.033 4.977 0.056 25448 6664 1 13 . 1 1 59 59 GLU CA C 59 54.004 54.004 54.797 -0.793 25448 6665 1 13 . 1 1 59 59 GLU CB C 59 34.292 34.292 33.655 0.637 25448 6666 1 13 . 1 1 59 59 GLU H H 59 8.116 8.116 8.309 -0.193 25448 6667 1 13 . 1 1 60 60 VAL N N 60 125.380 125.380 127.054 -1.674 25448 6668 1 13 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.174 0.164 25448 6669 1 13 . 1 1 60 60 VAL CA C 60 62.784 62.784 63.014 -0.230 25448 6670 1 13 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.634 -0.878 25448 6671 1 13 . 1 1 60 60 VAL H H 60 8.531 8.531 9.035 -0.504 25448 6672 1 13 . 1 1 61 61 LYS N N 61 129.548 129.548 127.625 1.923 25448 6673 1 13 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.748 0.152 25448 6674 1 13 . 1 1 61 61 LYS CA C 61 55.584 55.584 53.899 1.685 25448 6675 1 13 . 1 1 61 61 LYS CB C 61 38.034 38.034 36.665 1.369 25448 6676 1 13 . 1 1 61 61 LYS H H 61 9.068 9.068 8.890 0.178 25448 6677 1 13 . 1 1 62 62 ARG N N 62 123.653 123.653 123.024 0.629 25448 6678 1 13 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.317 0.385 25448 6679 1 13 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.189 -0.803 25448 6680 1 13 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.297 -0.339 25448 6681 1 13 . 1 1 62 62 ARG H H 62 8.749 8.749 8.650 0.099 25448 6682 1 13 . 1 1 63 63 GLU N N 63 125.033 125.033 125.295 -0.262 25448 6683 1 13 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.956 0.042 25448 6684 1 13 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.749 0.129 25448 6685 1 13 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.614 2.369 25448 6686 1 13 . 1 1 63 63 GLU H H 63 8.973 8.973 9.253 -0.280 25448 6687 1 13 . 1 1 64 64 ARG N N 64 121.855 121.855 119.677 2.178 25448 6688 1 13 . 1 1 64 64 ARG HA H 64 3.900 3.900 3.912 -0.012 25448 6689 1 13 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.699 0.202 25448 6690 1 13 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.369 -0.824 25448 6691 1 13 . 1 1 64 64 ARG H H 64 9.273 9.273 8.697 0.576 25448 6692 1 13 . 1 1 65 65 LEU N N 65 124.611 124.611 126.402 -1.791 25448 6693 1 13 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.893 -0.323 25448 6694 1 13 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.624 0.386 25448 6695 1 13 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.992 -0.269 25448 6696 1 13 . 1 1 65 65 LEU H H 65 8.823 8.823 8.809 0.014 25448 6697 1 13 . 1 1 66 66 GLU N N 66 115.188 115.188 118.999 -3.811 25448 6698 1 13 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.750 0.085 25448 6699 1 13 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.831 -0.177 25448 6700 1 13 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.654 0.506 25448 6701 1 13 . 1 1 66 66 GLU H H 66 9.360 9.360 8.749 0.611 25448 6702 1 13 . 1 1 67 67 ASP N N 67 118.590 118.590 118.443 0.147 25448 6703 1 13 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.386 0.074 25448 6704 1 13 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.941 -0.374 25448 6705 1 13 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.514 0.156 25448 6706 1 13 . 1 1 67 67 ASP H H 67 6.806 6.806 8.159 -1.353 25448 6707 1 13 . 1 1 68 68 VAL N N 68 119.985 119.985 119.140 0.845 25448 6708 1 13 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.700 -0.084 25448 6709 1 13 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.130 -0.060 25448 6710 1 13 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.832 0.335 25448 6711 1 13 . 1 1 68 68 VAL H H 68 7.414 7.414 7.896 -0.482 25448 6712 1 13 . 1 1 69 69 VAL N N 69 116.972 116.972 118.893 -1.921 25448 6713 1 13 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.942 -0.440 25448 6714 1 13 . 1 1 69 69 VAL CA C 69 65.337 65.337 61.707 3.630 25448 6715 1 13 . 1 1 69 69 VAL CB C 69 32.036 32.036 31.748 0.288 25448 6716 1 13 . 1 1 69 69 VAL H H 69 8.261 8.261 8.345 -0.084 25448 6717 1 13 . 1 1 70 70 GLY N N 70 107.311 107.311 107.530 -0.219 25448 6718 1 13 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.102 1.508 25448 6719 1 13 . 1 1 70 70 GLY H H 70 7.395 7.395 7.501 -0.106 25448 6720 1 13 . 1 1 71 71 GLY N N 71 110.582 110.582 113.605 -3.023 25448 6721 1 13 . 1 1 71 71 GLY CA C 71 45.176 45.176 45.206 -0.030 25448 6722 1 13 . 1 1 71 71 GLY H H 71 8.831 8.831 8.643 0.188 25448 6723 1 13 . 1 1 72 72 CYS N N 72 118.742 118.742 118.246 0.496 25448 6724 1 13 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.709 -0.211 25448 6725 1 13 . 1 1 72 72 CYS CA C 72 60.154 60.154 58.215 1.939 25448 6726 1 13 . 1 1 72 72 CYS CB C 72 29.295 29.295 30.132 -0.837 25448 6727 1 13 . 1 1 72 72 CYS H H 72 7.613 7.613 7.665 -0.052 25448 6728 1 13 . 1 1 73 73 CYS N N 73 120.205 120.205 123.084 -2.879 25448 6729 1 13 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.844 -0.313 25448 6730 1 13 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.740 0.052 25448 6731 1 13 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.834 -0.788 25448 6732 1 13 . 1 1 73 73 CYS H H 73 9.007 9.007 9.089 -0.082 25448 6733 1 13 . 1 1 74 74 TYR N N 74 119.008 119.008 117.381 1.627 25448 6734 1 13 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.334 0.263 25448 6735 1 13 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.532 -0.942 25448 6736 1 13 . 1 1 74 74 TYR CB C 74 41.876 41.876 41.169 0.707 25448 6737 1 13 . 1 1 74 74 TYR H H 74 8.141 8.141 8.229 -0.088 25448 6738 1 13 . 1 1 75 75 ARG N N 75 115.457 115.457 117.107 -1.650 25448 6739 1 13 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.601 0.038 25448 6740 1 13 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.831 -0.836 25448 6741 1 13 . 1 1 75 75 ARG CB C 75 33.235 33.235 33.824 -0.589 25448 6742 1 13 . 1 1 75 75 ARG H H 75 9.008 9.008 8.831 0.177 25448 6743 1 13 . 1 1 76 76 VAL N N 76 123.071 123.071 121.834 1.237 25448 6744 1 13 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.552 0.011 25448 6745 1 13 . 1 1 76 76 VAL CA C 76 62.968 62.968 62.703 0.265 25448 6746 1 13 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.493 -0.528 25448 6747 1 13 . 1 1 76 76 VAL H H 76 8.511 8.511 8.503 0.008 25448 6748 1 13 . 1 1 77 77 ASN N N 77 126.125 126.125 125.996 0.129 25448 6749 1 13 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.950 -0.095 25448 6750 1 13 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.542 -0.470 25448 6751 1 13 . 1 1 77 77 ASN CB C 77 38.640 38.640 38.859 -0.219 25448 6752 1 13 . 1 1 77 77 ASN H H 77 8.824 8.824 8.893 -0.069 25448 6753 1 13 . 1 1 78 78 ASN N N 78 124.269 124.269 120.887 3.382 25448 6754 1 13 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.771 0.575 25448 6755 1 13 . 1 1 78 78 ASN CA C 78 52.124 52.124 52.392 -0.268 25448 6756 1 13 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.915 0.033 25448 6757 1 13 . 1 1 78 78 ASN H H 78 8.685 8.685 8.759 -0.074 25448 6758 1 13 . 1 1 79 79 SER N N 79 117.959 117.959 115.705 2.254 25448 6759 1 13 . 1 1 79 79 SER HA H 79 4.112 4.112 4.446 -0.334 25448 6760 1 13 . 1 1 79 79 SER CA C 79 62.669 62.669 60.128 2.541 25448 6761 1 13 . 1 1 79 79 SER CB C 79 63.727 63.727 63.470 0.257 25448 6762 1 13 . 1 1 79 79 SER H H 79 8.109 8.109 8.096 0.013 25448 6763 1 13 . 1 1 80 80 LEU N N 80 121.272 121.272 122.592 -1.320 25448 6764 1 13 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.097 0.373 25448 6765 1 13 . 1 1 80 80 LEU CA C 80 55.542 55.542 56.434 -0.891 25448 6766 1 13 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.252 0.248 25448 6767 1 13 . 1 1 80 80 LEU H H 80 7.947 7.947 8.062 -0.115 25448 6768 1 13 . 1 1 81 81 ASP N N 81 121.692 121.692 120.433 1.259 25448 6769 1 13 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.561 0.529 25448 6770 1 13 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.630 -0.026 25448 6771 1 13 . 1 1 81 81 ASP CB C 81 40.300 40.300 40.996 -0.696 25448 6772 1 13 . 1 1 81 81 ASP H H 81 8.294 8.294 8.117 0.177 25448 6773 1 13 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.600 -0.145 25448 6774 1 13 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.370 0.530 25448 6775 1 13 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.387 -0.621 25448 6776 1 13 . 1 1 83 83 GLU N N 83 118.940 118.940 118.103 0.837 25448 6777 1 13 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.084 0.069 25448 6778 1 13 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.169 -0.299 25448 6779 1 13 . 1 1 83 83 GLU CB C 83 32.422 32.422 31.161 1.261 25448 6780 1 13 . 1 1 83 83 GLU H H 83 7.476 7.476 7.634 -0.158 25448 6781 1 13 . 1 1 84 84 TYR N N 84 119.225 119.225 117.958 1.267 25448 6782 1 13 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.759 0.007 25448 6783 1 13 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.338 -1.415 25448 6784 1 13 . 1 1 84 84 TYR CB C 84 41.224 41.224 40.041 1.183 25448 6785 1 13 . 1 1 84 84 TYR H H 84 8.207 8.207 8.302 -0.095 25448 6786 1 13 . 1 1 85 85 GLN N N 85 119.667 119.667 122.011 -2.344 25448 6787 1 13 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.468 0.330 25448 6788 1 13 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.673 -1.470 25448 6789 1 13 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.164 1.202 25448 6790 1 13 . 1 1 85 85 GLN H H 85 8.264 8.264 8.851 -0.587 25448 6791 1 13 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.311 0.111 25448 6792 1 13 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.934 -1.323 25448 6793 1 13 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.144 -0.294 25448 6794 1 13 . 1 1 87 87 ARG N N 87 121.150 121.150 122.179 -1.029 25448 6795 1 13 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.747 -0.342 25448 6796 1 13 . 1 1 87 87 ARG CA C 87 55.600 55.600 52.371 3.229 25448 6797 1 13 . 1 1 87 87 ARG CB C 87 29.301 29.301 30.844 -1.543 25448 6798 1 13 . 1 1 87 87 ARG H H 87 8.254 8.254 8.550 -0.296 25448 6799 1 13 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.655 -0.208 25448 6800 1 13 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.712 0.267 25448 6801 1 13 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.422 -0.152 25448 6802 1 13 . 1 1 89 89 VAL N N 89 125.682 125.682 126.081 -0.399 25448 6803 1 13 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.625 -0.124 25448 6804 1 13 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.498 1.913 25448 6805 1 13 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.158 -0.523 25448 6806 1 13 . 1 1 89 89 VAL H H 89 8.678 8.678 8.575 0.103 25448 6807 1 13 . 1 1 90 90 GLU N N 90 117.092 117.092 119.373 -2.281 25448 6808 1 13 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.073 -0.046 25448 6809 1 13 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.274 0.741 25448 6810 1 13 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.836 -0.203 25448 6811 1 13 . 1 1 90 90 GLU H H 90 9.318 9.318 8.855 0.463 25448 6812 1 13 . 1 1 91 91 VAL N N 91 119.967 119.967 119.570 0.397 25448 6813 1 13 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.804 0.060 25448 6814 1 13 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.302 -0.302 25448 6815 1 13 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.241 0.660 25448 6816 1 13 . 1 1 91 91 VAL H H 91 7.153 7.153 7.734 -0.582 25448 6817 1 13 . 1 1 92 92 ILE N N 92 122.669 122.669 121.913 0.756 25448 6818 1 13 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.723 -0.413 25448 6819 1 13 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.537 1.174 25448 6820 1 13 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.883 0.680 25448 6821 1 13 . 1 1 92 92 ILE H H 92 8.004 8.004 7.242 0.762 25448 6822 1 13 . 1 1 93 93 ILE N N 93 115.049 115.049 120.444 -5.395 25448 6823 1 13 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.569 -0.037 25448 6824 1 13 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.852 -0.767 25448 6825 1 13 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.572 -0.409 25448 6826 1 13 . 1 1 93 93 ILE H H 93 8.305 8.305 8.351 -0.046 25448 6827 1 13 . 1 1 94 94 SER N N 94 115.196 115.196 115.905 -0.709 25448 6828 1 13 . 1 1 94 94 SER HA H 94 4.101 4.101 4.095 0.006 25448 6829 1 13 . 1 1 94 94 SER CA C 94 62.300 62.300 62.635 -0.335 25448 6830 1 13 . 1 1 94 94 SER H H 94 7.927 7.927 8.423 -0.496 25448 6831 1 13 . 1 1 95 95 SER N N 95 117.891 117.891 117.924 -0.033 25448 6832 1 13 . 1 1 95 95 SER HA H 95 4.209 4.209 4.132 0.077 25448 6833 1 13 . 1 1 95 95 SER CA C 95 62.100 62.100 61.520 0.580 25448 6834 1 13 . 1 1 95 95 SER CB C 95 62.714 62.714 62.835 -0.121 25448 6835 1 13 . 1 1 95 95 SER H H 95 8.174 8.174 8.121 0.053 25448 6836 1 13 . 1 1 96 96 ALA N N 96 123.830 123.830 124.136 -0.306 25448 6837 1 13 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.048 -0.157 25448 6838 1 13 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.424 -0.148 25448 6839 1 13 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.288 1.660 25448 6840 1 13 . 1 1 96 96 ALA H H 96 8.110 8.110 8.248 -0.138 25448 6841 1 13 . 1 1 97 97 LYS N N 97 115.893 115.893 118.724 -2.831 25448 6842 1 13 . 1 1 97 97 LYS HA H 97 3.808 3.808 4.001 -0.193 25448 6843 1 13 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.155 1.194 25448 6844 1 13 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.443 0.255 25448 6845 1 13 . 1 1 97 97 LYS H H 97 8.218 8.218 8.182 0.036 25448 6846 1 13 . 1 1 98 98 GLU N N 98 117.006 117.006 118.236 -1.230 25448 6847 1 13 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.078 0.062 25448 6848 1 13 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.828 -0.606 25448 6849 1 13 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.893 -0.117 25448 6850 1 13 . 1 1 98 98 GLU H H 98 7.474 7.474 8.272 -0.798 25448 6851 1 13 . 1 1 99 99 MET N N 99 114.572 114.572 117.444 -2.872 25448 6852 1 13 . 1 1 99 99 MET HA H 99 4.533 4.533 4.343 0.190 25448 6853 1 13 . 1 1 99 99 MET CA C 99 55.292 55.292 57.853 -2.561 25448 6854 1 13 . 1 1 99 99 MET CB C 99 33.777 33.777 34.044 -0.267 25448 6855 1 13 . 1 1 99 99 MET H H 99 7.378 7.378 7.994 -0.616 25448 6856 1 13 . 1 1 100 100 VAL N N 100 119.104 119.104 118.800 0.304 25448 6857 1 13 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.508 -0.242 25448 6858 1 13 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.316 0.731 25448 6859 1 13 . 1 1 100 100 VAL CB C 100 31.325 31.325 30.946 0.379 25448 6860 1 13 . 1 1 100 100 VAL H H 100 7.056 7.056 8.012 -0.956 25448 6861 1 13 . 1 1 101 101 GLY N N 101 116.779 116.779 114.831 1.948 25448 6862 1 13 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.692 -0.041 25448 6863 1 13 . 1 1 101 101 GLY H H 101 8.979 8.979 8.756 0.223 25448 6864 1 13 . 1 1 102 102 GLN N N 102 119.990 119.990 120.306 -0.316 25448 6865 1 13 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.432 -0.235 25448 6866 1 13 . 1 1 102 102 GLN C C 102 174.994 174.994 175.158 -0.164 25448 6867 1 13 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.240 1.423 25448 6868 1 13 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.450 -1.514 25448 6869 1 13 . 1 1 102 102 GLN H H 102 8.103 8.103 8.273 -0.170 25448 6870 1 13 . 1 1 103 103 LYS N N 103 120.261 120.261 120.835 -0.574 25448 6871 1 13 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.175 0.091 25448 6872 1 13 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.070 -0.428 25448 6873 1 13 . 1 1 103 103 LYS CB C 103 34.196 34.196 35.579 -1.383 25448 6874 1 13 . 1 1 103 103 LYS H H 103 8.310 8.310 8.365 -0.055 25448 6875 1 13 . 1 1 104 104 MET N N 104 119.868 119.868 119.445 0.423 25448 6876 1 13 . 1 1 104 104 MET HA H 104 4.692 4.692 4.843 -0.151 25448 6877 1 13 . 1 1 104 104 MET CA C 104 54.276 54.276 54.578 -0.302 25448 6878 1 13 . 1 1 104 104 MET CB C 104 36.831 36.831 37.258 -0.427 25448 6879 1 13 . 1 1 104 104 MET H H 104 8.556 8.556 8.831 -0.275 25448 6880 1 13 . 1 1 105 105 LYS N N 105 120.932 120.932 119.102 1.830 25448 6881 1 13 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.670 -0.304 25448 6882 1 13 . 1 1 105 105 LYS CA C 105 57.100 57.100 54.635 2.466 25448 6883 1 13 . 1 1 105 105 LYS CB C 105 32.890 32.890 33.542 -0.652 25448 6884 1 13 . 1 1 105 105 LYS H H 105 8.257 8.257 8.302 -0.045 25448 6885 1 13 . 1 1 106 106 TYR N N 106 122.600 122.600 119.384 3.216 25448 6886 1 13 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.679 -0.261 25448 6887 1 13 . 1 1 106 106 TYR CA C 106 56.726 56.726 58.121 -1.395 25448 6888 1 13 . 1 1 106 106 TYR CB C 106 38.561 38.561 40.309 -1.748 25448 6889 1 13 . 1 1 106 106 TYR H H 106 8.378 8.378 8.342 0.036 25448 6890 1 13 . 1 1 107 107 SER N N 107 116.904 116.904 114.730 2.174 25448 6891 1 13 . 1 1 107 107 SER CA C 107 56.717 56.717 58.477 -1.760 25448 6892 1 13 . 1 1 107 107 SER CB C 107 63.983 63.983 61.657 2.326 25448 6893 1 13 . 1 1 107 107 SER H H 107 8.044 8.044 8.009 0.035 25448 6894 1 13 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.545 0.468 25448 6895 1 13 . 1 1 109 109 VAL CA C 109 64.307 64.307 64.329 -0.022 25448 6896 1 13 . 1 1 109 109 VAL CB C 109 32.000 32.000 30.715 1.285 25448 6897 1 13 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.172 0.200 25448 6898 1 13 . 1 1 111 111 ARG CA C 111 57.100 57.100 56.880 0.219 25448 6899 1 13 . 1 1 111 111 ARG CB C 111 28.110 28.110 30.413 -2.303 25448 6900 1 13 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.362 0.126 25448 6901 1 13 . 1 1 113 113 CYS CA C 113 61.609 61.609 63.322 -1.713 25448 6902 1 13 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.705 -0.905 25448 6903 1 13 . 1 1 114 114 GLU N N 114 125.287 125.287 121.564 3.723 25448 6904 1 13 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.495 -0.056 25448 6905 1 13 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.497 -0.828 25448 6906 1 13 . 1 1 114 114 GLU CB C 114 30.058 30.058 28.600 1.458 25448 6907 1 13 . 1 1 114 114 GLU H H 114 7.720 7.720 8.225 -0.505 25448 6908 1 13 . 1 1 115 115 HIS N N 115 119.008 119.008 119.576 -0.568 25448 6909 1 13 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.223 0.174 25448 6910 1 13 . 1 1 115 115 HIS CA C 115 58.460 58.460 58.280 0.180 25448 6911 1 13 . 1 1 115 115 HIS CB C 115 30.061 30.061 30.289 -0.228 25448 6912 1 13 . 1 1 115 115 HIS H H 115 8.051 8.051 8.472 -0.421 25448 6913 1 13 . 1 1 116 116 PHE N N 116 117.059 117.059 121.612 -4.553 25448 6914 1 13 . 1 1 116 116 PHE HA H 116 4.348 4.348 3.993 0.355 25448 6915 1 13 . 1 1 116 116 PHE CA C 116 61.077 61.077 61.221 -0.144 25448 6916 1 13 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.990 0.608 25448 6917 1 13 . 1 1 116 116 PHE H H 116 8.168 8.168 8.511 -0.343 25448 6918 1 13 . 1 1 117 117 VAL N N 117 107.857 107.857 115.347 -7.490 25448 6919 1 13 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.330 0.535 25448 6920 1 13 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.541 -0.950 25448 6921 1 13 . 1 1 117 117 VAL CB C 117 30.573 30.573 30.608 -0.035 25448 6922 1 13 . 1 1 117 117 VAL H H 117 7.080 7.080 8.529 -1.449 25448 6923 1 13 . 1 1 118 118 THR N N 118 117.382 117.382 117.599 -0.217 25448 6924 1 13 . 1 1 118 118 THR HA H 118 4.046 4.046 3.979 0.067 25448 6925 1 13 . 1 1 118 118 THR CA C 118 66.745 66.745 67.904 -1.159 25448 6926 1 13 . 1 1 118 118 THR CB C 118 68.185 68.185 68.686 -0.501 25448 6927 1 13 . 1 1 118 118 THR H H 118 8.465 8.465 8.336 0.129 25448 6928 1 13 . 1 1 119 119 GLN N N 119 121.900 121.900 121.966 -0.066 25448 6929 1 13 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.168 -0.283 25448 6930 1 13 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.825 0.177 25448 6931 1 13 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.028 -0.417 25448 6932 1 13 . 1 1 119 119 GLN H H 119 8.074 8.074 8.207 -0.133 25448 6933 1 13 . 1 1 120 120 LEU N N 120 117.899 117.899 120.242 -2.343 25448 6934 1 13 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.972 -0.137 25448 6935 1 13 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.575 -0.148 25448 6936 1 13 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.324 0.910 25448 6937 1 13 . 1 1 120 120 LEU H H 120 6.829 6.829 7.638 -0.809 25448 6938 1 13 . 1 1 121 121 ARG N N 121 117.250 117.250 117.631 -0.381 25448 6939 1 13 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.086 -0.166 25448 6940 1 13 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.637 0.406 25448 6941 1 13 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.870 -0.614 25448 6942 1 13 . 1 1 121 121 ARG H H 121 7.677 7.677 7.623 0.054 25448 6943 1 13 . 1 1 122 122 TYR N N 122 111.508 111.508 120.812 -9.304 25448 6944 1 13 . 1 1 122 122 TYR HA H 122 4.640 4.640 3.884 0.756 25448 6945 1 13 . 1 1 122 122 TYR CA C 122 58.522 58.522 59.824 -1.302 25448 6946 1 13 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.046 1.628 25448 6947 1 13 . 1 1 122 122 TYR H H 122 8.114 8.114 8.892 -0.778 25448 6948 1 13 . 1 1 123 123 GLY N N 123 109.399 109.399 104.094 5.305 25448 6949 1 13 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.026 1.315 25448 6950 1 13 . 1 1 123 123 GLY H H 123 8.032 8.032 7.750 0.282 25448 6951 1 13 . 1 1 124 124 LYS N N 124 117.936 117.936 120.589 -2.653 25448 6952 1 13 . 1 1 124 124 LYS HA H 124 4.352 4.352 3.997 0.355 25448 6953 1 13 . 1 1 124 124 LYS CA C 124 55.200 55.200 58.331 -3.131 25448 6954 1 13 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.348 1.650 25448 6955 1 13 . 1 1 124 124 LYS H H 124 7.402 7.402 7.350 0.052 25448 6956 1 14 . 1 1 3 3 SER N N 3 113.812 113.812 116.648 -2.836 25448 6957 1 14 . 1 1 3 3 SER HA H 3 4.697 4.697 4.538 0.159 25448 6958 1 14 . 1 1 3 3 SER CA C 3 58.996 58.996 56.939 2.057 25448 6959 1 14 . 1 1 3 3 SER CB C 3 63.800 63.800 63.222 0.578 25448 6960 1 14 . 1 1 3 3 SER H H 3 7.587 7.587 8.274 -0.687 25448 6961 1 14 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.345 0.068 25448 6962 1 14 . 1 1 4 4 PRO CA C 4 63.354 63.354 62.346 1.008 25448 6963 1 14 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.346 -0.446 25448 6964 1 14 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.504 0.053 25448 6965 1 14 . 1 1 5 5 HIS CA C 5 56.230 56.230 56.836 -0.606 25448 6966 1 14 . 1 1 5 5 HIS CB C 5 30.500 30.500 30.387 0.113 25448 6967 1 14 . 1 1 5 5 HIS H H 5 6.984 6.984 8.173 -1.189 25448 6968 1 14 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.557 -0.269 25448 6969 1 14 . 1 1 6 6 GLN CA C 6 55.174 55.174 55.437 -0.263 25448 6970 1 14 . 1 1 6 6 GLN CB C 6 30.042 30.042 30.679 -0.637 25448 6971 1 14 . 1 1 7 7 GLU N N 7 124.477 124.477 123.915 0.562 25448 6972 1 14 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.595 -0.106 25448 6973 1 14 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.763 0.348 25448 6974 1 14 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.371 -1.459 25448 6975 1 14 . 1 1 7 7 GLU H H 7 8.353 8.353 8.395 -0.042 25448 6976 1 14 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.664 -0.320 25448 6977 1 14 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.112 0.286 25448 6978 1 14 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.792 -1.393 25448 6979 1 14 . 1 1 9 9 LYS N N 9 122.328 122.328 118.606 3.722 25448 6980 1 14 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.948 -0.075 25448 6981 1 14 . 1 1 9 9 LYS CA C 9 53.151 53.151 53.001 0.150 25448 6982 1 14 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.811 -1.672 25448 6983 1 14 . 1 1 9 9 LYS H H 9 9.336 9.336 8.899 0.437 25448 6984 1 14 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.235 -0.312 25448 6985 1 14 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.730 -0.196 25448 6986 1 14 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.489 0.140 25448 6987 1 14 . 1 1 11 11 GLY N N 11 112.758 112.758 114.493 -1.735 25448 6988 1 14 . 1 1 11 11 GLY CA C 11 45.182 45.182 44.949 0.233 25448 6989 1 14 . 1 1 11 11 GLY H H 11 9.359 9.359 9.109 0.250 25448 6990 1 14 . 1 1 12 12 ASP N N 12 120.500 120.500 121.346 -0.846 25448 6991 1 14 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.927 -0.057 25448 6992 1 14 . 1 1 12 12 ASP CA C 12 55.211 55.211 54.656 0.555 25448 6993 1 14 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.470 1.476 25448 6994 1 14 . 1 1 12 12 ASP H H 12 8.277 8.277 8.008 0.269 25448 6995 1 14 . 1 1 13 13 LEU N N 13 119.594 119.594 122.572 -2.978 25448 6996 1 14 . 1 1 13 13 LEU HA H 13 4.977 4.977 5.004 -0.027 25448 6997 1 14 . 1 1 13 13 LEU CA C 13 53.989 53.989 53.966 0.023 25448 6998 1 14 . 1 1 13 13 LEU CB C 13 41.198 41.198 41.519 -0.321 25448 6999 1 14 . 1 1 13 13 LEU H H 13 9.103 9.103 9.154 -0.051 25448 7000 1 14 . 1 1 14 14 ILE N N 14 121.352 121.352 124.525 -3.173 25448 7001 1 14 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.699 -0.089 25448 7002 1 14 . 1 1 14 14 ILE CA C 14 58.178 58.178 59.022 -0.844 25448 7003 1 14 . 1 1 14 14 ILE CB C 14 39.213 39.213 37.897 1.316 25448 7004 1 14 . 1 1 14 14 ILE H H 14 9.221 9.221 9.357 -0.136 25448 7005 1 14 . 1 1 15 15 GLU N N 15 129.555 129.555 127.878 1.677 25448 7006 1 14 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.495 -1.277 25448 7007 1 14 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.324 0.124 25448 7008 1 14 . 1 1 15 15 GLU CB C 15 31.783 31.783 32.797 -1.014 25448 7009 1 14 . 1 1 15 15 GLU H H 15 8.625 8.625 9.205 -0.580 25448 7010 1 14 . 1 1 16 16 ILE N N 16 125.258 125.258 124.503 0.755 25448 7011 1 14 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.563 -0.454 25448 7012 1 14 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.688 0.812 25448 7013 1 14 . 1 1 16 16 ILE CB C 16 40.401 40.401 41.282 -0.881 25448 7014 1 14 . 1 1 16 16 ILE H H 16 8.557 8.557 8.512 0.045 25448 7015 1 14 . 1 1 17 17 PHE N N 17 127.058 127.058 126.370 0.688 25448 7016 1 14 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.925 -0.423 25448 7017 1 14 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.497 2.442 25448 7018 1 14 . 1 1 17 17 PHE CB C 17 37.496 37.496 39.485 -1.989 25448 7019 1 14 . 1 1 17 17 PHE H H 17 8.500 8.500 9.122 -0.622 25448 7020 1 14 . 1 1 18 18 ARG N N 18 124.569 124.569 123.629 0.940 25448 7021 1 14 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.811 -0.161 25448 7022 1 14 . 1 1 18 18 ARG CA C 18 54.596 54.596 53.773 0.823 25448 7023 1 14 . 1 1 18 18 ARG CB C 18 30.206 30.206 34.047 -3.841 25448 7024 1 14 . 1 1 18 18 ARG H H 18 7.686 7.686 8.814 -1.128 25448 7025 1 14 . 1 1 19 19 LEU N N 19 121.049 121.049 124.765 -3.716 25448 7026 1 14 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.218 0.206 25448 7027 1 14 . 1 1 19 19 LEU CA C 19 56.123 56.123 56.455 -0.332 25448 7028 1 14 . 1 1 19 19 LEU CB C 19 40.296 40.296 41.859 -1.563 25448 7029 1 14 . 1 1 19 19 LEU H H 19 8.103 8.103 8.928 -0.825 25448 7030 1 14 . 1 1 20 20 GLY N N 20 115.623 115.623 114.406 1.217 25448 7031 1 14 . 1 1 20 20 GLY CA C 20 45.736 45.736 45.094 0.642 25448 7032 1 14 . 1 1 20 20 GLY H H 20 8.686 8.686 8.979 -0.293 25448 7033 1 14 . 1 1 21 21 TYR N N 21 115.905 115.905 119.952 -4.047 25448 7034 1 14 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.777 -0.017 25448 7035 1 14 . 1 1 21 21 TYR CA C 21 56.507 56.507 57.624 -1.117 25448 7036 1 14 . 1 1 21 21 TYR CB C 21 38.631 38.631 41.355 -2.724 25448 7037 1 14 . 1 1 21 21 TYR H H 21 7.433 7.433 7.986 -0.553 25448 7038 1 14 . 1 1 22 22 GLU N N 22 116.649 116.649 126.349 -9.700 25448 7039 1 14 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.593 0.567 25448 7040 1 14 . 1 1 22 22 GLU CA C 22 56.255 56.255 54.672 1.583 25448 7041 1 14 . 1 1 22 22 GLU CB C 22 32.167 32.167 31.288 0.879 25448 7042 1 14 . 1 1 22 22 GLU H H 22 8.139 8.139 8.200 -0.061 25448 7043 1 14 . 1 1 23 23 HIS N N 23 122.171 122.171 120.267 1.904 25448 7044 1 14 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.662 0.926 25448 7045 1 14 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.201 -0.040 25448 7046 1 14 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.662 0.708 25448 7047 1 14 . 1 1 23 23 HIS H H 23 8.943 8.943 8.303 0.640 25448 7048 1 14 . 1 1 24 24 TRP N N 24 124.412 124.412 120.787 3.625 25448 7049 1 14 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.412 0.285 25448 7050 1 14 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.194 -0.288 25448 7051 1 14 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.963 -1.807 25448 7052 1 14 . 1 1 24 24 TRP H H 24 6.764 6.764 7.950 -1.186 25448 7053 1 14 . 1 1 25 25 ALA N N 25 121.149 121.149 120.813 0.336 25448 7054 1 14 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.007 -0.146 25448 7055 1 14 . 1 1 25 25 ALA CA C 25 50.352 50.352 50.761 -0.409 25448 7056 1 14 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.215 -0.262 25448 7057 1 14 . 1 1 25 25 ALA H H 25 9.336 9.336 8.977 0.359 25448 7058 1 14 . 1 1 26 26 LEU N N 26 122.472 122.472 123.070 -0.598 25448 7059 1 14 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.195 0.065 25448 7060 1 14 . 1 1 26 26 LEU CA C 26 53.641 53.641 53.053 0.588 25448 7061 1 14 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.313 2.108 25448 7062 1 14 . 1 1 26 26 LEU H H 26 8.835 8.835 8.908 -0.073 25448 7063 1 14 . 1 1 27 27 TYR N N 27 128.215 128.215 128.988 -0.773 25448 7064 1 14 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.702 0.050 25448 7065 1 14 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.450 1.352 25448 7066 1 14 . 1 1 27 27 TYR CB C 27 38.670 38.670 40.023 -1.353 25448 7067 1 14 . 1 1 27 27 TYR H H 27 9.750 9.750 9.254 0.496 25448 7068 1 14 . 1 1 28 28 ILE N N 28 119.796 119.796 120.349 -0.553 25448 7069 1 14 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.602 -0.029 25448 7070 1 14 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.412 0.406 25448 7071 1 14 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.113 -0.213 25448 7072 1 14 . 1 1 28 28 ILE H H 28 8.196 8.196 8.090 0.106 25448 7073 1 14 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.272 -0.272 25448 7074 1 14 . 1 1 29 29 GLY H H 29 6.584 6.584 6.547 0.037 25448 7075 1 14 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.321 0.101 25448 7076 1 14 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.189 0.451 25448 7077 1 14 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.514 -0.261 25448 7078 1 14 . 1 1 30 30 ASP H H 30 6.837 6.837 8.871 -2.034 25448 7079 1 14 . 1 1 31 31 GLY N N 31 124.953 124.953 102.353 22.600 25448 7080 1 14 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.312 0.226 25448 7081 1 14 . 1 1 31 31 GLY H H 31 8.120 8.120 8.047 0.073 25448 7082 1 14 . 1 1 32 32 TYR N N 32 120.196 120.196 120.433 -0.237 25448 7083 1 14 . 1 1 32 32 TYR HA H 32 4.930 4.930 4.998 -0.068 25448 7084 1 14 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.394 0.394 25448 7085 1 14 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.367 1.628 25448 7086 1 14 . 1 1 32 32 TYR H H 32 7.843 7.843 7.686 0.157 25448 7087 1 14 . 1 1 33 33 VAL N N 33 109.892 109.892 114.617 -4.725 25448 7088 1 14 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.107 0.359 25448 7089 1 14 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.702 -2.242 25448 7090 1 14 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.870 -0.713 25448 7091 1 14 . 1 1 33 33 VAL H H 33 9.242 9.242 9.301 -0.059 25448 7092 1 14 . 1 1 34 34 ILE N N 34 119.424 119.424 121.581 -2.157 25448 7093 1 14 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.324 0.231 25448 7094 1 14 . 1 1 34 34 ILE CA C 34 60.331 60.331 60.082 0.249 25448 7095 1 14 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.598 0.334 25448 7096 1 14 . 1 1 34 34 ILE H H 34 9.084 9.084 8.955 0.129 25448 7097 1 14 . 1 1 35 35 HIS N N 35 123.118 123.118 122.768 0.350 25448 7098 1 14 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.286 -0.128 25448 7099 1 14 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.264 -0.046 25448 7100 1 14 . 1 1 35 35 HIS CB C 35 35.000 35.000 33.518 1.482 25448 7101 1 14 . 1 1 35 35 HIS H H 35 9.110 9.110 9.415 -0.305 25448 7102 1 14 . 1 1 36 36 LEU N N 36 123.704 123.704 122.104 1.600 25448 7103 1 14 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.100 -0.016 25448 7104 1 14 . 1 1 36 36 LEU CA C 36 53.682 53.682 54.200 -0.518 25448 7105 1 14 . 1 1 36 36 LEU CB C 36 41.631 41.631 42.431 -0.799 25448 7106 1 14 . 1 1 36 36 LEU H H 36 8.991 8.991 8.688 0.303 25448 7107 1 14 . 1 1 37 37 ALA N N 37 129.765 129.765 130.869 -1.104 25448 7108 1 14 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.153 0.174 25448 7109 1 14 . 1 1 37 37 ALA CA C 37 49.698 49.698 49.572 0.126 25448 7110 1 14 . 1 1 37 37 ALA CB C 37 19.428 19.428 18.641 0.787 25448 7111 1 14 . 1 1 37 37 ALA H H 37 8.050 8.050 8.539 -0.489 25448 7112 1 14 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.768 -0.764 25448 7113 1 14 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.051 -0.251 25448 7114 1 14 . 1 1 38 38 PRO CB C 38 30.528 30.528 32.016 -1.488 25448 7115 1 14 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.419 -0.045 25448 7116 1 14 . 1 1 39 39 PRO CA C 39 62.900 62.900 62.571 0.329 25448 7117 1 14 . 1 1 39 39 PRO CB C 39 32.000 32.000 32.246 -0.246 25448 7118 1 14 . 1 1 40 40 SER N N 40 114.906 114.906 117.352 -2.446 25448 7119 1 14 . 1 1 40 40 SER HA H 40 4.326 4.326 4.213 0.113 25448 7120 1 14 . 1 1 40 40 SER CA C 40 58.700 58.700 58.663 0.037 25448 7121 1 14 . 1 1 40 40 SER CB C 40 64.004 64.004 63.637 0.367 25448 7122 1 14 . 1 1 40 40 SER H H 40 8.184 8.184 8.418 -0.234 25448 7123 1 14 . 1 1 41 41 GLU N N 41 121.221 121.221 119.733 1.488 25448 7124 1 14 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.127 0.134 25448 7125 1 14 . 1 1 41 41 GLU CA C 41 56.424 56.424 55.330 1.094 25448 7126 1 14 . 1 1 41 41 GLU CB C 41 30.514 30.514 31.854 -1.340 25448 7127 1 14 . 1 1 41 41 GLU H H 41 8.401 8.401 7.438 0.963 25448 7128 1 14 . 1 1 42 42 TYR N N 42 121.900 121.900 119.823 2.077 25448 7129 1 14 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.524 0.256 25448 7130 1 14 . 1 1 42 42 TYR CA C 42 55.700 55.700 56.249 -0.549 25448 7131 1 14 . 1 1 42 42 TYR CB C 42 38.400 38.400 37.323 1.077 25448 7132 1 14 . 1 1 42 42 TYR H H 42 8.117 8.117 8.134 -0.017 25448 7133 1 14 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.254 0.149 25448 7134 1 14 . 1 1 43 43 PRO CA C 43 63.480 63.480 63.516 -0.036 25448 7135 1 14 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.420 -0.620 25448 7136 1 14 . 1 1 44 44 GLY N N 44 109.030 109.030 104.968 4.062 25448 7137 1 14 . 1 1 44 44 GLY CA C 44 45.244 45.244 44.239 1.004 25448 7138 1 14 . 1 1 44 44 GLY H H 44 8.001 8.001 7.043 0.958 25448 7139 1 14 . 1 1 45 45 ALA N N 45 123.500 123.500 120.180 3.320 25448 7140 1 14 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.785 -0.473 25448 7141 1 14 . 1 1 45 45 ALA CA C 45 52.853 52.853 52.183 0.670 25448 7142 1 14 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.621 -0.299 25448 7143 1 14 . 1 1 45 45 ALA H H 45 8.082 8.082 8.296 -0.214 25448 7144 1 14 . 1 1 46 46 GLY N N 46 108.151 108.151 108.114 0.037 25448 7145 1 14 . 1 1 46 46 GLY CA C 46 45.460 45.460 43.997 1.463 25448 7146 1 14 . 1 1 46 46 GLY H H 46 8.408 8.408 7.914 0.494 25448 7147 1 14 . 1 1 48 48 SER N N 48 116.904 116.904 119.802 -2.898 25448 7148 1 14 . 1 1 48 48 SER HA H 48 4.700 4.700 4.374 0.326 25448 7149 1 14 . 1 1 48 48 SER H H 48 8.044 8.044 8.379 -0.335 25448 7150 1 14 . 1 1 49 49 SER HA H 49 4.456 4.456 2.715 1.741 25448 7151 1 14 . 1 1 49 49 SER CA C 49 58.713 58.713 57.844 0.869 25448 7152 1 14 . 1 1 49 49 SER CB C 49 64.000 64.000 62.043 1.957 25448 7153 1 14 . 1 1 50 50 VAL N N 50 120.352 120.352 117.164 3.188 25448 7154 1 14 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.949 0.084 25448 7155 1 14 . 1 1 50 50 VAL CA C 50 62.816 62.816 61.961 0.855 25448 7156 1 14 . 1 1 50 50 VAL CB C 50 32.416 32.416 30.670 1.746 25448 7157 1 14 . 1 1 50 50 VAL H H 50 7.890 7.890 7.558 0.332 25448 7158 1 14 . 1 1 51 51 PHE N N 51 121.600 121.600 120.898 0.702 25448 7159 1 14 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.164 0.412 25448 7160 1 14 . 1 1 51 51 PHE CA C 51 58.198 58.198 60.582 -2.384 25448 7161 1 14 . 1 1 51 51 PHE CB C 51 39.470 39.470 38.001 1.469 25448 7162 1 14 . 1 1 51 51 PHE H H 51 7.989 7.989 6.704 1.285 25448 7163 1 14 . 1 1 52 52 SER N N 52 116.521 116.521 113.301 3.220 25448 7164 1 14 . 1 1 52 52 SER HA H 52 4.429 4.429 4.367 0.062 25448 7165 1 14 . 1 1 52 52 SER C C 52 174.445 174.445 175.350 -0.905 25448 7166 1 14 . 1 1 52 52 SER CA C 52 58.365 58.365 60.400 -2.035 25448 7167 1 14 . 1 1 52 52 SER CB C 52 64.018 64.018 63.553 0.465 25448 7168 1 14 . 1 1 52 52 SER H H 52 8.018 8.018 8.637 -0.619 25448 7169 1 14 . 1 1 53 53 VAL N N 53 120.571 120.571 114.038 6.533 25448 7170 1 14 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.449 -0.346 25448 7171 1 14 . 1 1 53 53 VAL CA C 53 62.979 62.979 61.593 1.386 25448 7172 1 14 . 1 1 53 53 VAL CB C 53 32.416 32.416 31.858 0.558 25448 7173 1 14 . 1 1 53 53 VAL H H 53 7.959 7.959 7.745 0.214 25448 7174 1 14 . 1 1 54 54 LEU N N 54 123.703 123.703 121.526 2.177 25448 7175 1 14 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.932 -0.566 25448 7176 1 14 . 1 1 54 54 LEU CA C 54 55.500 55.500 53.535 1.965 25448 7177 1 14 . 1 1 54 54 LEU CB C 54 42.293 42.293 43.955 -1.662 25448 7178 1 14 . 1 1 54 54 LEU H H 54 8.095 8.095 7.849 0.246 25448 7179 1 14 . 1 1 55 55 SER N N 55 115.309 115.309 115.248 0.061 25448 7180 1 14 . 1 1 55 55 SER HA H 55 4.399 4.399 4.353 0.046 25448 7181 1 14 . 1 1 55 55 SER CA C 55 58.365 58.365 59.155 -0.790 25448 7182 1 14 . 1 1 55 55 SER CB C 55 64.110 64.110 61.707 2.403 25448 7183 1 14 . 1 1 55 55 SER H H 55 8.063 8.063 8.466 -0.403 25448 7184 1 14 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.855 0.063 25448 7185 1 14 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.030 0.121 25448 7186 1 14 . 1 1 56 56 ASN CB C 56 39.339 39.339 40.116 -0.777 25448 7187 1 14 . 1 1 57 57 SER N N 57 115.102 115.102 116.228 -1.126 25448 7188 1 14 . 1 1 57 57 SER HA H 57 4.694 4.694 4.440 0.254 25448 7189 1 14 . 1 1 57 57 SER CA C 57 58.307 58.307 59.113 -0.806 25448 7190 1 14 . 1 1 57 57 SER CB C 57 64.838 64.838 64.114 0.724 25448 7191 1 14 . 1 1 57 57 SER H H 57 8.065 8.065 8.127 -0.062 25448 7192 1 14 . 1 1 58 58 ALA N N 58 125.610 125.610 124.482 1.128 25448 7193 1 14 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.749 -0.255 25448 7194 1 14 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.699 0.582 25448 7195 1 14 . 1 1 58 58 ALA CB C 58 22.479 22.479 21.470 1.009 25448 7196 1 14 . 1 1 58 58 ALA H H 58 8.548 8.548 8.769 -0.221 25448 7197 1 14 . 1 1 59 59 GLU N N 59 120.190 120.190 121.451 -1.261 25448 7198 1 14 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.094 -0.061 25448 7199 1 14 . 1 1 59 59 GLU CA C 59 54.004 54.004 53.908 0.096 25448 7200 1 14 . 1 1 59 59 GLU CB C 59 34.292 34.292 33.919 0.373 25448 7201 1 14 . 1 1 59 59 GLU H H 59 8.116 8.116 8.259 -0.143 25448 7202 1 14 . 1 1 60 60 VAL N N 60 125.380 125.380 126.899 -1.519 25448 7203 1 14 . 1 1 60 60 VAL HA H 60 4.338 4.338 3.941 0.397 25448 7204 1 14 . 1 1 60 60 VAL CA C 60 62.784 62.784 63.537 -0.753 25448 7205 1 14 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.325 -0.569 25448 7206 1 14 . 1 1 60 60 VAL H H 60 8.531 8.531 8.906 -0.375 25448 7207 1 14 . 1 1 61 61 LYS N N 61 129.548 129.548 127.361 2.187 25448 7208 1 14 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.804 0.096 25448 7209 1 14 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.536 1.048 25448 7210 1 14 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.427 0.607 25448 7211 1 14 . 1 1 61 61 LYS H H 61 9.068 9.068 8.954 0.114 25448 7212 1 14 . 1 1 62 62 ARG N N 62 123.653 123.653 124.249 -0.596 25448 7213 1 14 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.134 0.568 25448 7214 1 14 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.700 -1.314 25448 7215 1 14 . 1 1 62 62 ARG CB C 62 31.958 31.958 31.315 0.643 25448 7216 1 14 . 1 1 62 62 ARG H H 62 8.749 8.749 8.735 0.014 25448 7217 1 14 . 1 1 63 63 GLU N N 63 125.033 125.033 125.334 -0.301 25448 7218 1 14 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.825 0.173 25448 7219 1 14 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.820 0.058 25448 7220 1 14 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.450 2.533 25448 7221 1 14 . 1 1 63 63 GLU H H 63 8.973 8.973 9.102 -0.129 25448 7222 1 14 . 1 1 64 64 ARG N N 64 121.855 121.855 119.791 2.064 25448 7223 1 14 . 1 1 64 64 ARG HA H 64 3.900 3.900 4.138 -0.238 25448 7224 1 14 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.748 0.152 25448 7225 1 14 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.476 -0.930 25448 7226 1 14 . 1 1 64 64 ARG H H 64 9.273 9.273 8.705 0.568 25448 7227 1 14 . 1 1 65 65 LEU N N 65 124.611 124.611 126.259 -1.648 25448 7228 1 14 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.847 -0.277 25448 7229 1 14 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.654 0.356 25448 7230 1 14 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.977 -0.254 25448 7231 1 14 . 1 1 65 65 LEU H H 65 8.823 8.823 8.832 -0.009 25448 7232 1 14 . 1 1 66 66 GLU N N 66 115.188 115.188 119.115 -3.927 25448 7233 1 14 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.698 0.137 25448 7234 1 14 . 1 1 66 66 GLU CA C 66 59.654 59.654 60.092 -0.438 25448 7235 1 14 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.692 0.468 25448 7236 1 14 . 1 1 66 66 GLU H H 66 9.360 9.360 8.619 0.741 25448 7237 1 14 . 1 1 67 67 ASP N N 67 118.590 118.590 118.473 0.117 25448 7238 1 14 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.394 0.066 25448 7239 1 14 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.772 -0.205 25448 7240 1 14 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.527 0.143 25448 7241 1 14 . 1 1 67 67 ASP H H 67 6.806 6.806 8.175 -1.369 25448 7242 1 14 . 1 1 68 68 VAL N N 68 119.985 119.985 119.047 0.938 25448 7243 1 14 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.601 0.015 25448 7244 1 14 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.602 -0.532 25448 7245 1 14 . 1 1 68 68 VAL CB C 68 32.167 32.167 32.020 0.147 25448 7246 1 14 . 1 1 68 68 VAL H H 68 7.414 7.414 7.948 -0.534 25448 7247 1 14 . 1 1 69 69 VAL N N 69 116.972 116.972 114.471 2.501 25448 7248 1 14 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.697 -0.195 25448 7249 1 14 . 1 1 69 69 VAL CA C 69 65.337 65.337 63.906 1.431 25448 7250 1 14 . 1 1 69 69 VAL CB C 69 32.036 32.036 30.902 1.134 25448 7251 1 14 . 1 1 69 69 VAL H H 69 8.261 8.261 8.175 0.086 25448 7252 1 14 . 1 1 70 70 GLY N N 70 107.311 107.311 111.198 -3.887 25448 7253 1 14 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.549 1.061 25448 7254 1 14 . 1 1 70 70 GLY H H 70 7.395 7.395 8.131 -0.736 25448 7255 1 14 . 1 1 71 71 GLY N N 71 110.582 110.582 109.682 0.900 25448 7256 1 14 . 1 1 71 71 GLY CA C 71 45.176 45.176 44.447 0.729 25448 7257 1 14 . 1 1 71 71 GLY H H 71 8.831 8.831 8.442 0.389 25448 7258 1 14 . 1 1 72 72 CYS N N 72 118.742 118.742 118.587 0.155 25448 7259 1 14 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.439 0.059 25448 7260 1 14 . 1 1 72 72 CYS CA C 72 60.154 60.154 60.081 0.073 25448 7261 1 14 . 1 1 72 72 CYS CB C 72 29.295 29.295 28.380 0.915 25448 7262 1 14 . 1 1 72 72 CYS H H 72 7.613 7.613 7.731 -0.118 25448 7263 1 14 . 1 1 73 73 CYS N N 73 120.205 120.205 121.670 -1.465 25448 7264 1 14 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.634 -0.103 25448 7265 1 14 . 1 1 73 73 CYS CA C 73 59.792 59.792 60.222 -0.430 25448 7266 1 14 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.058 -0.012 25448 7267 1 14 . 1 1 73 73 CYS H H 73 9.007 9.007 8.701 0.306 25448 7268 1 14 . 1 1 74 74 TYR N N 74 119.008 119.008 119.136 -0.128 25448 7269 1 14 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.574 0.023 25448 7270 1 14 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.241 -0.651 25448 7271 1 14 . 1 1 74 74 TYR CB C 74 41.876 41.876 41.380 0.496 25448 7272 1 14 . 1 1 74 74 TYR H H 74 8.141 8.141 8.128 0.013 25448 7273 1 14 . 1 1 75 75 ARG N N 75 115.457 115.457 118.325 -2.868 25448 7274 1 14 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.697 -0.058 25448 7275 1 14 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.982 -0.987 25448 7276 1 14 . 1 1 75 75 ARG CB C 75 33.235 33.235 33.690 -0.455 25448 7277 1 14 . 1 1 75 75 ARG H H 75 9.008 9.008 9.252 -0.244 25448 7278 1 14 . 1 1 76 76 VAL N N 76 123.071 123.071 121.084 1.987 25448 7279 1 14 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.463 0.100 25448 7280 1 14 . 1 1 76 76 VAL CA C 76 62.968 62.968 61.511 1.457 25448 7281 1 14 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.874 -0.909 25448 7282 1 14 . 1 1 76 76 VAL H H 76 8.511 8.511 9.139 -0.628 25448 7283 1 14 . 1 1 77 77 ASN N N 77 126.125 126.125 127.617 -1.492 25448 7284 1 14 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.909 -0.054 25448 7285 1 14 . 1 1 77 77 ASN CA C 77 52.072 52.072 53.230 -1.157 25448 7286 1 14 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.340 -0.700 25448 7287 1 14 . 1 1 77 77 ASN H H 77 8.824 8.824 9.081 -0.257 25448 7288 1 14 . 1 1 78 78 ASN N N 78 124.269 124.269 124.738 -0.469 25448 7289 1 14 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.801 0.545 25448 7290 1 14 . 1 1 78 78 ASN CA C 78 52.124 52.124 53.002 -0.878 25448 7291 1 14 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.931 0.017 25448 7292 1 14 . 1 1 78 78 ASN H H 78 8.685 8.685 8.872 -0.187 25448 7293 1 14 . 1 1 79 79 SER N N 79 117.959 117.959 116.901 1.058 25448 7294 1 14 . 1 1 79 79 SER HA H 79 4.112 4.112 4.233 -0.121 25448 7295 1 14 . 1 1 79 79 SER CA C 79 62.669 62.669 61.212 1.457 25448 7296 1 14 . 1 1 79 79 SER CB C 79 63.727 63.727 63.399 0.328 25448 7297 1 14 . 1 1 79 79 SER H H 79 8.109 8.109 8.258 -0.149 25448 7298 1 14 . 1 1 80 80 LEU N N 80 121.272 121.272 121.961 -0.689 25448 7299 1 14 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.105 0.365 25448 7300 1 14 . 1 1 80 80 LEU CA C 80 55.542 55.542 56.261 -0.719 25448 7301 1 14 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.358 0.142 25448 7302 1 14 . 1 1 80 80 LEU H H 80 7.947 7.947 7.944 0.003 25448 7303 1 14 . 1 1 81 81 ASP N N 81 121.692 121.692 119.526 2.166 25448 7304 1 14 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.452 0.638 25448 7305 1 14 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.496 0.108 25448 7306 1 14 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.098 -0.798 25448 7307 1 14 . 1 1 81 81 ASP H H 81 8.294 8.294 7.767 0.527 25448 7308 1 14 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.558 -0.103 25448 7309 1 14 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.193 0.707 25448 7310 1 14 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.306 -0.540 25448 7311 1 14 . 1 1 83 83 GLU N N 83 118.940 118.940 118.386 0.554 25448 7312 1 14 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.053 0.100 25448 7313 1 14 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.147 -0.277 25448 7314 1 14 . 1 1 83 83 GLU CB C 83 32.422 32.422 30.773 1.649 25448 7315 1 14 . 1 1 83 83 GLU H H 83 7.476 7.476 7.675 -0.199 25448 7316 1 14 . 1 1 84 84 TYR N N 84 119.225 119.225 118.074 1.151 25448 7317 1 14 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.854 -0.088 25448 7318 1 14 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.162 -1.239 25448 7319 1 14 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.786 1.438 25448 7320 1 14 . 1 1 84 84 TYR H H 84 8.207 8.207 7.978 0.229 25448 7321 1 14 . 1 1 85 85 GLN N N 85 119.667 119.667 119.941 -0.274 25448 7322 1 14 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.482 0.316 25448 7323 1 14 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.732 -1.529 25448 7324 1 14 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.314 1.052 25448 7325 1 14 . 1 1 85 85 GLN H H 85 8.264 8.264 8.631 -0.367 25448 7326 1 14 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.482 -0.060 25448 7327 1 14 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.287 -0.676 25448 7328 1 14 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.155 -0.305 25448 7329 1 14 . 1 1 87 87 ARG N N 87 121.150 121.150 123.135 -1.985 25448 7330 1 14 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.826 -0.421 25448 7331 1 14 . 1 1 87 87 ARG CA C 87 55.600 55.600 52.442 3.158 25448 7332 1 14 . 1 1 87 87 ARG CB C 87 29.301 29.301 30.514 -1.212 25448 7333 1 14 . 1 1 87 87 ARG H H 87 8.254 8.254 8.446 -0.192 25448 7334 1 14 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.588 -0.141 25448 7335 1 14 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.584 0.395 25448 7336 1 14 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.561 -0.291 25448 7337 1 14 . 1 1 89 89 VAL N N 89 125.682 125.682 126.419 -0.737 25448 7338 1 14 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.614 -0.113 25448 7339 1 14 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.966 1.445 25448 7340 1 14 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.327 -0.692 25448 7341 1 14 . 1 1 89 89 VAL H H 89 8.678 8.678 8.682 -0.004 25448 7342 1 14 . 1 1 90 90 GLU N N 90 117.092 117.092 118.833 -1.741 25448 7343 1 14 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.078 -0.051 25448 7344 1 14 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.255 0.760 25448 7345 1 14 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.849 -0.216 25448 7346 1 14 . 1 1 90 90 GLU H H 90 9.318 9.318 8.844 0.474 25448 7347 1 14 . 1 1 91 91 VAL N N 91 119.967 119.967 119.978 -0.011 25448 7348 1 14 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.798 0.066 25448 7349 1 14 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.369 -0.369 25448 7350 1 14 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.180 0.721 25448 7351 1 14 . 1 1 91 91 VAL H H 91 7.153 7.153 7.778 -0.625 25448 7352 1 14 . 1 1 92 92 ILE N N 92 122.669 122.669 121.727 0.942 25448 7353 1 14 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.920 -0.610 25448 7354 1 14 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.505 1.206 25448 7355 1 14 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.901 0.662 25448 7356 1 14 . 1 1 92 92 ILE H H 92 8.004 8.004 7.380 0.624 25448 7357 1 14 . 1 1 93 93 ILE N N 93 115.049 115.049 120.302 -5.253 25448 7358 1 14 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.608 -0.076 25448 7359 1 14 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.702 -0.617 25448 7360 1 14 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.548 -0.386 25448 7361 1 14 . 1 1 93 93 ILE H H 93 8.305 8.305 8.363 -0.058 25448 7362 1 14 . 1 1 94 94 SER N N 94 115.196 115.196 116.593 -1.397 25448 7363 1 14 . 1 1 94 94 SER HA H 94 4.101 4.101 4.100 0.001 25448 7364 1 14 . 1 1 94 94 SER CA C 94 62.300 62.300 62.712 -0.412 25448 7365 1 14 . 1 1 94 94 SER H H 94 7.927 7.927 8.389 -0.462 25448 7366 1 14 . 1 1 95 95 SER N N 95 117.891 117.891 118.702 -0.811 25448 7367 1 14 . 1 1 95 95 SER HA H 95 4.209 4.209 3.998 0.211 25448 7368 1 14 . 1 1 95 95 SER CA C 95 62.100 62.100 61.944 0.156 25448 7369 1 14 . 1 1 95 95 SER CB C 95 62.714 62.714 62.984 -0.271 25448 7370 1 14 . 1 1 95 95 SER H H 95 8.174 8.174 8.284 -0.110 25448 7371 1 14 . 1 1 96 96 ALA N N 96 123.830 123.830 124.304 -0.474 25448 7372 1 14 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.107 -0.216 25448 7373 1 14 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.392 -0.116 25448 7374 1 14 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.294 1.654 25448 7375 1 14 . 1 1 96 96 ALA H H 96 8.110 8.110 8.101 0.009 25448 7376 1 14 . 1 1 97 97 LYS N N 97 115.893 115.893 118.758 -2.865 25448 7377 1 14 . 1 1 97 97 LYS HA H 97 3.808 3.808 4.032 -0.224 25448 7378 1 14 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.164 1.185 25448 7379 1 14 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.476 0.222 25448 7380 1 14 . 1 1 97 97 LYS H H 97 8.218 8.218 8.260 -0.042 25448 7381 1 14 . 1 1 98 98 GLU N N 98 117.006 117.006 117.300 -0.294 25448 7382 1 14 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.097 0.043 25448 7383 1 14 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.702 -0.480 25448 7384 1 14 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.975 -0.199 25448 7385 1 14 . 1 1 98 98 GLU H H 98 7.474 7.474 8.251 -0.777 25448 7386 1 14 . 1 1 99 99 MET N N 99 114.572 114.572 116.264 -1.692 25448 7387 1 14 . 1 1 99 99 MET HA H 99 4.533 4.533 4.435 0.098 25448 7388 1 14 . 1 1 99 99 MET CA C 99 55.292 55.292 55.745 -0.453 25448 7389 1 14 . 1 1 99 99 MET CB C 99 33.777 33.777 33.787 -0.010 25448 7390 1 14 . 1 1 99 99 MET H H 99 7.378 7.378 8.033 -0.654 25448 7391 1 14 . 1 1 100 100 VAL N N 100 119.104 119.104 118.570 0.534 25448 7392 1 14 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.505 -0.239 25448 7393 1 14 . 1 1 100 100 VAL CA C 100 66.047 66.047 64.895 1.152 25448 7394 1 14 . 1 1 100 100 VAL CB C 100 31.325 31.325 31.307 0.018 25448 7395 1 14 . 1 1 100 100 VAL H H 100 7.056 7.056 8.198 -1.142 25448 7396 1 14 . 1 1 101 101 GLY N N 101 116.779 116.779 114.007 2.772 25448 7397 1 14 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.815 -0.164 25448 7398 1 14 . 1 1 101 101 GLY H H 101 8.979 8.979 8.974 0.005 25448 7399 1 14 . 1 1 102 102 GLN N N 102 119.990 119.990 120.594 -0.604 25448 7400 1 14 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.439 -0.242 25448 7401 1 14 . 1 1 102 102 GLN C C 102 174.994 174.994 175.245 -0.251 25448 7402 1 14 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.451 1.212 25448 7403 1 14 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.521 -1.585 25448 7404 1 14 . 1 1 102 102 GLN H H 102 8.103 8.103 8.109 -0.006 25448 7405 1 14 . 1 1 103 103 LYS N N 103 120.261 120.261 122.477 -2.216 25448 7406 1 14 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.207 0.059 25448 7407 1 14 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.521 -0.879 25448 7408 1 14 . 1 1 103 103 LYS CB C 103 34.196 34.196 34.847 -0.651 25448 7409 1 14 . 1 1 103 103 LYS H H 103 8.310 8.310 8.448 -0.138 25448 7410 1 14 . 1 1 104 104 MET N N 104 119.868 119.868 119.525 0.343 25448 7411 1 14 . 1 1 104 104 MET HA H 104 4.692 4.692 4.893 -0.201 25448 7412 1 14 . 1 1 104 104 MET CA C 104 54.276 54.276 54.430 -0.154 25448 7413 1 14 . 1 1 104 104 MET CB C 104 36.831 36.831 37.562 -0.731 25448 7414 1 14 . 1 1 104 104 MET H H 104 8.556 8.556 8.918 -0.362 25448 7415 1 14 . 1 1 105 105 LYS N N 105 120.932 120.932 119.196 1.736 25448 7416 1 14 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.442 -0.076 25448 7417 1 14 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.504 0.596 25448 7418 1 14 . 1 1 105 105 LYS CB C 105 32.890 32.890 33.106 -0.216 25448 7419 1 14 . 1 1 105 105 LYS H H 105 8.257 8.257 8.467 -0.210 25448 7420 1 14 . 1 1 106 106 TYR N N 106 122.600 122.600 120.567 2.033 25448 7421 1 14 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.455 -0.037 25448 7422 1 14 . 1 1 106 106 TYR CA C 106 56.726 56.726 60.728 -4.002 25448 7423 1 14 . 1 1 106 106 TYR CB C 106 38.561 38.561 40.118 -1.557 25448 7424 1 14 . 1 1 106 106 TYR H H 106 8.378 8.378 8.729 -0.351 25448 7425 1 14 . 1 1 107 107 SER N N 107 116.904 116.904 111.025 5.879 25448 7426 1 14 . 1 1 107 107 SER CA C 107 56.717 56.717 56.877 -0.160 25448 7427 1 14 . 1 1 107 107 SER CB C 107 63.983 63.983 64.617 -0.634 25448 7428 1 14 . 1 1 107 107 SER H H 107 8.044 8.044 7.739 0.305 25448 7429 1 14 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.947 0.066 25448 7430 1 14 . 1 1 109 109 VAL CA C 109 64.307 64.307 63.345 0.962 25448 7431 1 14 . 1 1 109 109 VAL CB C 109 32.000 32.000 32.066 -0.066 25448 7432 1 14 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.404 -0.032 25448 7433 1 14 . 1 1 111 111 ARG CA C 111 57.100 57.100 56.615 0.485 25448 7434 1 14 . 1 1 111 111 ARG CB C 111 28.110 28.110 30.098 -1.988 25448 7435 1 14 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.219 0.269 25448 7436 1 14 . 1 1 113 113 CYS CA C 113 61.609 61.609 62.326 -0.717 25448 7437 1 14 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.430 0.370 25448 7438 1 14 . 1 1 114 114 GLU N N 114 125.287 125.287 122.625 2.662 25448 7439 1 14 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.593 -0.154 25448 7440 1 14 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.459 -0.790 25448 7441 1 14 . 1 1 114 114 GLU CB C 114 30.058 30.058 29.381 0.677 25448 7442 1 14 . 1 1 114 114 GLU H H 114 7.720 7.720 8.025 -0.305 25448 7443 1 14 . 1 1 115 115 HIS N N 115 119.008 119.008 117.790 1.218 25448 7444 1 14 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.241 0.156 25448 7445 1 14 . 1 1 115 115 HIS CA C 115 58.460 58.460 58.274 0.186 25448 7446 1 14 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.102 0.960 25448 7447 1 14 . 1 1 115 115 HIS H H 115 8.051 8.051 7.564 0.487 25448 7448 1 14 . 1 1 116 116 PHE N N 116 117.059 117.059 122.010 -4.951 25448 7449 1 14 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.104 0.244 25448 7450 1 14 . 1 1 116 116 PHE CA C 116 61.077 61.077 61.297 -0.221 25448 7451 1 14 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.931 0.666 25448 7452 1 14 . 1 1 116 116 PHE H H 116 8.168 8.168 7.905 0.263 25448 7453 1 14 . 1 1 117 117 VAL N N 117 107.857 107.857 114.272 -6.415 25448 7454 1 14 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.122 0.743 25448 7455 1 14 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.334 -0.743 25448 7456 1 14 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.300 -0.727 25448 7457 1 14 . 1 1 117 117 VAL H H 117 7.080 7.080 8.256 -1.176 25448 7458 1 14 . 1 1 118 118 THR N N 118 117.382 117.382 117.377 0.005 25448 7459 1 14 . 1 1 118 118 THR HA H 118 4.046 4.046 3.956 0.090 25448 7460 1 14 . 1 1 118 118 THR CA C 118 66.745 66.745 67.065 -0.320 25448 7461 1 14 . 1 1 118 118 THR CB C 118 68.185 68.185 68.454 -0.269 25448 7462 1 14 . 1 1 118 118 THR H H 118 8.465 8.465 7.618 0.847 25448 7463 1 14 . 1 1 119 119 GLN N N 119 121.900 121.900 120.691 1.209 25448 7464 1 14 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.151 -0.266 25448 7465 1 14 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.662 0.340 25448 7466 1 14 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.216 -0.605 25448 7467 1 14 . 1 1 119 119 GLN H H 119 8.074 8.074 8.422 -0.348 25448 7468 1 14 . 1 1 120 120 LEU N N 120 117.899 117.899 118.954 -1.055 25448 7469 1 14 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.911 -0.076 25448 7470 1 14 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.879 -0.452 25448 7471 1 14 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.139 1.095 25448 7472 1 14 . 1 1 120 120 LEU H H 120 6.829 6.829 7.577 -0.748 25448 7473 1 14 . 1 1 121 121 ARG N N 121 117.250 117.250 118.485 -1.235 25448 7474 1 14 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.083 -0.163 25448 7475 1 14 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.737 0.306 25448 7476 1 14 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.569 -0.313 25448 7477 1 14 . 1 1 121 121 ARG H H 121 7.677 7.677 7.555 0.122 25448 7478 1 14 . 1 1 122 122 TYR N N 122 111.508 111.508 119.559 -8.051 25448 7479 1 14 . 1 1 122 122 TYR HA H 122 4.640 4.640 3.963 0.677 25448 7480 1 14 . 1 1 122 122 TYR CA C 122 58.522 58.522 59.794 -1.272 25448 7481 1 14 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.408 1.266 25448 7482 1 14 . 1 1 122 122 TYR H H 122 8.114 8.114 8.497 -0.383 25448 7483 1 14 . 1 1 123 123 GLY N N 123 109.399 109.399 106.199 3.200 25448 7484 1 14 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.643 0.698 25448 7485 1 14 . 1 1 123 123 GLY H H 123 8.032 8.032 7.717 0.315 25448 7486 1 14 . 1 1 124 124 LYS N N 124 117.936 117.936 119.999 -2.063 25448 7487 1 14 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.080 0.272 25448 7488 1 14 . 1 1 124 124 LYS CA C 124 55.200 55.200 55.967 -0.767 25448 7489 1 14 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.619 1.379 25448 7490 1 14 . 1 1 124 124 LYS H H 124 7.402 7.402 7.099 0.303 25448 7491 1 15 . 1 1 3 3 SER N N 3 113.812 113.812 116.562 -2.750 25448 7492 1 15 . 1 1 3 3 SER HA H 3 4.697 4.697 4.700 -0.003 25448 7493 1 15 . 1 1 3 3 SER CA C 3 58.996 58.996 57.410 1.586 25448 7494 1 15 . 1 1 3 3 SER CB C 3 63.800 63.800 63.382 0.418 25448 7495 1 15 . 1 1 3 3 SER H H 3 7.587 7.587 8.105 -0.518 25448 7496 1 15 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.658 -0.245 25448 7497 1 15 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.253 0.101 25448 7498 1 15 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.091 -0.191 25448 7499 1 15 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.645 -0.088 25448 7500 1 15 . 1 1 5 5 HIS CA C 5 56.230 56.230 55.445 0.785 25448 7501 1 15 . 1 1 5 5 HIS CB C 5 30.500 30.500 31.442 -0.942 25448 7502 1 15 . 1 1 5 5 HIS H H 5 6.984 6.984 8.238 -1.254 25448 7503 1 15 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.306 -0.018 25448 7504 1 15 . 1 1 6 6 GLN CA C 6 55.174 55.174 56.084 -0.909 25448 7505 1 15 . 1 1 6 6 GLN CB C 6 30.042 30.042 29.128 0.914 25448 7506 1 15 . 1 1 7 7 GLU N N 7 124.477 124.477 123.528 0.949 25448 7507 1 15 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.630 -0.141 25448 7508 1 15 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.705 0.406 25448 7509 1 15 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.829 -1.917 25448 7510 1 15 . 1 1 7 7 GLU H H 7 8.353 8.353 8.365 -0.012 25448 7511 1 15 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.667 -0.323 25448 7512 1 15 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.128 0.270 25448 7513 1 15 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.291 -0.891 25448 7514 1 15 . 1 1 9 9 LYS N N 9 122.328 122.328 120.011 2.317 25448 7515 1 15 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.920 -0.047 25448 7516 1 15 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.706 0.445 25448 7517 1 15 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.971 -1.831 25448 7518 1 15 . 1 1 9 9 LYS H H 9 9.336 9.336 9.011 0.325 25448 7519 1 15 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.274 -0.351 25448 7520 1 15 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.249 0.285 25448 7521 1 15 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.505 0.124 25448 7522 1 15 . 1 1 11 11 GLY N N 11 112.758 112.758 116.094 -3.336 25448 7523 1 15 . 1 1 11 11 GLY CA C 11 45.182 45.182 45.178 0.004 25448 7524 1 15 . 1 1 11 11 GLY H H 11 9.359 9.359 9.011 0.348 25448 7525 1 15 . 1 1 12 12 ASP N N 12 120.500 120.500 121.822 -1.322 25448 7526 1 15 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.783 0.087 25448 7527 1 15 . 1 1 12 12 ASP CA C 12 55.211 55.211 55.324 -0.113 25448 7528 1 15 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.187 1.759 25448 7529 1 15 . 1 1 12 12 ASP H H 12 8.277 8.277 7.987 0.290 25448 7530 1 15 . 1 1 13 13 LEU N N 13 119.594 119.594 124.756 -5.162 25448 7531 1 15 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.834 0.143 25448 7532 1 15 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.832 -0.843 25448 7533 1 15 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.291 -1.093 25448 7534 1 15 . 1 1 13 13 LEU H H 13 9.103 9.103 9.370 -0.267 25448 7535 1 15 . 1 1 14 14 ILE N N 14 121.352 121.352 124.936 -3.584 25448 7536 1 15 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.823 -0.213 25448 7537 1 15 . 1 1 14 14 ILE CA C 14 58.178 58.178 58.334 -0.155 25448 7538 1 15 . 1 1 14 14 ILE CB C 14 39.213 39.213 37.357 1.856 25448 7539 1 15 . 1 1 14 14 ILE H H 14 9.221 9.221 9.318 -0.097 25448 7540 1 15 . 1 1 15 15 GLU N N 15 129.555 129.555 128.640 0.915 25448 7541 1 15 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.076 -0.858 25448 7542 1 15 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.572 -0.124 25448 7543 1 15 . 1 1 15 15 GLU CB C 15 31.783 31.783 31.960 -0.177 25448 7544 1 15 . 1 1 15 15 GLU H H 15 8.625 8.625 9.092 -0.467 25448 7545 1 15 . 1 1 16 16 ILE N N 16 125.258 125.258 125.146 0.112 25448 7546 1 15 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.383 -0.274 25448 7547 1 15 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.605 0.895 25448 7548 1 15 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.403 -0.002 25448 7549 1 15 . 1 1 16 16 ILE H H 16 8.557 8.557 8.570 -0.013 25448 7550 1 15 . 1 1 17 17 PHE N N 17 127.058 127.058 126.625 0.433 25448 7551 1 15 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.604 -0.102 25448 7552 1 15 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.704 2.235 25448 7553 1 15 . 1 1 17 17 PHE CB C 17 37.496 37.496 36.823 0.673 25448 7554 1 15 . 1 1 17 17 PHE H H 17 8.500 8.500 8.811 -0.311 25448 7555 1 15 . 1 1 18 18 ARG N N 18 124.569 124.569 121.212 3.357 25448 7556 1 15 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.105 0.545 25448 7557 1 15 . 1 1 18 18 ARG CA C 18 54.596 54.596 55.711 -1.115 25448 7558 1 15 . 1 1 18 18 ARG CB C 18 30.206 30.206 30.842 -0.636 25448 7559 1 15 . 1 1 18 18 ARG H H 18 7.686 7.686 7.420 0.266 25448 7560 1 15 . 1 1 19 19 LEU N N 19 121.049 121.049 125.115 -4.066 25448 7561 1 15 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.046 0.378 25448 7562 1 15 . 1 1 19 19 LEU CA C 19 56.123 56.123 55.828 0.295 25448 7563 1 15 . 1 1 19 19 LEU CB C 19 40.296 40.296 41.863 -1.567 25448 7564 1 15 . 1 1 19 19 LEU H H 19 8.103 8.103 8.573 -0.470 25448 7565 1 15 . 1 1 20 20 GLY N N 20 115.623 115.623 112.156 3.467 25448 7566 1 15 . 1 1 20 20 GLY CA C 20 45.736 45.736 44.796 0.940 25448 7567 1 15 . 1 1 20 20 GLY H H 20 8.686 8.686 8.447 0.239 25448 7568 1 15 . 1 1 21 21 TYR N N 21 115.905 115.905 125.497 -9.592 25448 7569 1 15 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.525 0.235 25448 7570 1 15 . 1 1 21 21 TYR CA C 21 56.507 56.507 57.972 -1.465 25448 7571 1 15 . 1 1 21 21 TYR CB C 21 38.631 38.631 39.236 -0.605 25448 7572 1 15 . 1 1 21 21 TYR H H 21 7.433 7.433 8.436 -1.003 25448 7573 1 15 . 1 1 22 22 GLU N N 22 116.649 116.649 120.404 -3.755 25448 7574 1 15 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.334 0.826 25448 7575 1 15 . 1 1 22 22 GLU CA C 22 56.255 56.255 57.221 -0.966 25448 7576 1 15 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.049 2.118 25448 7577 1 15 . 1 1 22 22 GLU H H 22 8.139 8.139 8.705 -0.566 25448 7578 1 15 . 1 1 23 23 HIS N N 23 122.171 122.171 118.266 3.905 25448 7579 1 15 . 1 1 23 23 HIS HA H 23 5.588 5.588 5.032 0.556 25448 7580 1 15 . 1 1 23 23 HIS CA C 23 54.161 54.161 55.087 -0.926 25448 7581 1 15 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.649 0.721 25448 7582 1 15 . 1 1 23 23 HIS H H 23 8.943 8.943 8.720 0.223 25448 7583 1 15 . 1 1 24 24 TRP N N 24 124.412 124.412 118.756 5.656 25448 7584 1 15 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.744 -0.047 25448 7585 1 15 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.517 -0.611 25448 7586 1 15 . 1 1 24 24 TRP CB C 24 33.156 33.156 35.259 -2.103 25448 7587 1 15 . 1 1 24 24 TRP H H 24 6.764 6.764 8.951 -2.187 25448 7588 1 15 . 1 1 25 25 ALA N N 25 121.149 121.149 121.449 -0.300 25448 7589 1 15 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.271 -0.410 25448 7590 1 15 . 1 1 25 25 ALA CA C 25 50.352 50.352 51.015 -0.663 25448 7591 1 15 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.390 -0.437 25448 7592 1 15 . 1 1 25 25 ALA H H 25 9.336 9.336 9.220 0.116 25448 7593 1 15 . 1 1 26 26 LEU N N 26 122.472 122.472 123.327 -0.855 25448 7594 1 15 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.220 0.040 25448 7595 1 15 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.934 0.708 25448 7596 1 15 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.459 1.962 25448 7597 1 15 . 1 1 26 26 LEU H H 26 8.835 8.835 8.976 -0.141 25448 7598 1 15 . 1 1 27 27 TYR N N 27 128.215 128.215 129.276 -1.061 25448 7599 1 15 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.754 -0.002 25448 7600 1 15 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.334 1.468 25448 7601 1 15 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.811 -1.141 25448 7602 1 15 . 1 1 27 27 TYR H H 27 9.750 9.750 9.278 0.472 25448 7603 1 15 . 1 1 28 28 ILE N N 28 119.796 119.796 122.437 -2.641 25448 7604 1 15 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.383 0.190 25448 7605 1 15 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.004 0.814 25448 7606 1 15 . 1 1 28 28 ILE CB C 28 38.900 38.900 38.484 0.416 25448 7607 1 15 . 1 1 28 28 ILE H H 28 8.196 8.196 8.105 0.091 25448 7608 1 15 . 1 1 29 29 GLY CA C 29 44.000 44.000 45.485 -1.485 25448 7609 1 15 . 1 1 29 29 GLY H H 29 6.584 6.584 7.600 -1.016 25448 7610 1 15 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.640 -0.218 25448 7611 1 15 . 1 1 30 30 ASP CA C 30 55.640 55.640 53.920 1.720 25448 7612 1 15 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.051 0.202 25448 7613 1 15 . 1 1 30 30 ASP H H 30 6.837 6.837 7.687 -0.850 25448 7614 1 15 . 1 1 31 31 GLY N N 31 124.953 124.953 105.780 19.173 25448 7615 1 15 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.330 0.208 25448 7616 1 15 . 1 1 31 31 GLY H H 31 8.120 8.120 7.546 0.574 25448 7617 1 15 . 1 1 32 32 TYR N N 32 120.196 120.196 120.552 -0.356 25448 7618 1 15 . 1 1 32 32 TYR HA H 32 4.930 4.930 4.916 0.014 25448 7619 1 15 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.406 0.382 25448 7620 1 15 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.374 1.621 25448 7621 1 15 . 1 1 32 32 TYR H H 32 7.843 7.843 7.519 0.324 25448 7622 1 15 . 1 1 33 33 VAL N N 33 109.892 109.892 113.372 -3.480 25448 7623 1 15 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.238 0.228 25448 7624 1 15 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.466 -2.006 25448 7625 1 15 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.632 -0.475 25448 7626 1 15 . 1 1 33 33 VAL H H 33 9.242 9.242 9.353 -0.111 25448 7627 1 15 . 1 1 34 34 ILE N N 34 119.424 119.424 122.343 -2.919 25448 7628 1 15 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.241 0.314 25448 7629 1 15 . 1 1 34 34 ILE CA C 34 60.331 60.331 59.995 0.336 25448 7630 1 15 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.226 0.706 25448 7631 1 15 . 1 1 34 34 ILE H H 34 9.084 9.084 9.015 0.069 25448 7632 1 15 . 1 1 35 35 HIS N N 35 123.118 123.118 121.429 1.689 25448 7633 1 15 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.333 -0.175 25448 7634 1 15 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.363 -0.145 25448 7635 1 15 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.762 2.238 25448 7636 1 15 . 1 1 35 35 HIS H H 35 9.110 9.110 9.063 0.047 25448 7637 1 15 . 1 1 36 36 LEU N N 36 123.704 123.704 123.439 0.265 25448 7638 1 15 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.633 -0.549 25448 7639 1 15 . 1 1 36 36 LEU CA C 36 53.682 53.682 53.833 -0.151 25448 7640 1 15 . 1 1 36 36 LEU CB C 36 41.631 41.631 43.975 -2.344 25448 7641 1 15 . 1 1 36 36 LEU H H 36 8.991 8.991 8.881 0.110 25448 7642 1 15 . 1 1 37 37 ALA N N 37 129.765 129.765 130.256 -0.491 25448 7643 1 15 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.852 -0.525 25448 7644 1 15 . 1 1 37 37 ALA CA C 37 49.698 49.698 49.293 0.405 25448 7645 1 15 . 1 1 37 37 ALA CB C 37 19.428 19.428 19.046 0.382 25448 7646 1 15 . 1 1 37 37 ALA H H 37 8.050 8.050 8.914 -0.864 25448 7647 1 15 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.743 -0.739 25448 7648 1 15 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.239 -0.439 25448 7649 1 15 . 1 1 38 38 PRO CB C 38 30.528 30.528 30.909 -0.381 25448 7650 1 15 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.613 -0.239 25448 7651 1 15 . 1 1 39 39 PRO CA C 39 62.900 62.900 63.180 -0.280 25448 7652 1 15 . 1 1 39 39 PRO CB C 39 32.000 32.000 32.528 -0.528 25448 7653 1 15 . 1 1 40 40 SER N N 40 114.906 114.906 112.830 2.076 25448 7654 1 15 . 1 1 40 40 SER HA H 40 4.326 4.326 4.553 -0.227 25448 7655 1 15 . 1 1 40 40 SER CA C 40 58.700 58.700 57.249 1.451 25448 7656 1 15 . 1 1 40 40 SER CB C 40 64.004 64.004 64.189 -0.185 25448 7657 1 15 . 1 1 40 40 SER H H 40 8.184 8.184 8.148 0.036 25448 7658 1 15 . 1 1 41 41 GLU N N 41 121.221 121.221 121.067 0.154 25448 7659 1 15 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.012 0.249 25448 7660 1 15 . 1 1 41 41 GLU CA C 41 56.424 56.424 56.219 0.205 25448 7661 1 15 . 1 1 41 41 GLU CB C 41 30.514 30.514 30.324 0.190 25448 7662 1 15 . 1 1 41 41 GLU H H 41 8.401 8.401 8.301 0.100 25448 7663 1 15 . 1 1 42 42 TYR N N 42 121.900 121.900 120.816 1.084 25448 7664 1 15 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.424 0.356 25448 7665 1 15 . 1 1 42 42 TYR CA C 42 55.700 55.700 57.480 -1.780 25448 7666 1 15 . 1 1 42 42 TYR CB C 42 38.400 38.400 37.547 0.854 25448 7667 1 15 . 1 1 42 42 TYR H H 42 8.117 8.117 7.964 0.153 25448 7668 1 15 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.446 -0.043 25448 7669 1 15 . 1 1 43 43 PRO CA C 43 63.480 63.480 63.452 0.028 25448 7670 1 15 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.710 -0.910 25448 7671 1 15 . 1 1 44 44 GLY N N 44 109.030 109.030 109.185 -0.155 25448 7672 1 15 . 1 1 44 44 GLY CA C 44 45.244 45.244 44.182 1.062 25448 7673 1 15 . 1 1 44 44 GLY H H 44 8.001 8.001 7.783 0.218 25448 7674 1 15 . 1 1 45 45 ALA N N 45 123.500 123.500 122.564 0.936 25448 7675 1 15 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.360 -0.048 25448 7676 1 15 . 1 1 45 45 ALA CA C 45 52.853 52.853 52.401 0.452 25448 7677 1 15 . 1 1 45 45 ALA CB C 45 19.322 19.322 18.973 0.349 25448 7678 1 15 . 1 1 45 45 ALA H H 45 8.082 8.082 8.394 -0.312 25448 7679 1 15 . 1 1 46 46 GLY N N 46 108.151 108.151 107.169 0.982 25448 7680 1 15 . 1 1 46 46 GLY CA C 46 45.460 45.460 44.995 0.466 25448 7681 1 15 . 1 1 46 46 GLY H H 46 8.408 8.408 7.964 0.444 25448 7682 1 15 . 1 1 48 48 SER N N 48 116.904 116.904 115.339 1.565 25448 7683 1 15 . 1 1 48 48 SER HA H 48 4.700 4.700 4.331 0.369 25448 7684 1 15 . 1 1 48 48 SER H H 48 8.044 8.044 8.438 -0.394 25448 7685 1 15 . 1 1 49 49 SER HA H 49 4.456 4.456 4.604 -0.148 25448 7686 1 15 . 1 1 49 49 SER CA C 49 58.713 58.713 57.252 1.460 25448 7687 1 15 . 1 1 49 49 SER CB C 49 64.000 64.000 64.146 -0.146 25448 7688 1 15 . 1 1 50 50 VAL N N 50 120.352 120.352 118.424 1.928 25448 7689 1 15 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.737 0.296 25448 7690 1 15 . 1 1 50 50 VAL CA C 50 62.816 62.816 63.948 -1.132 25448 7691 1 15 . 1 1 50 50 VAL CB C 50 32.416 32.416 29.364 3.052 25448 7692 1 15 . 1 1 50 50 VAL H H 50 7.890 7.890 8.423 -0.533 25448 7693 1 15 . 1 1 51 51 PHE N N 51 121.600 121.600 121.316 0.284 25448 7694 1 15 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.141 0.435 25448 7695 1 15 . 1 1 51 51 PHE CA C 51 58.198 58.198 59.745 -1.547 25448 7696 1 15 . 1 1 51 51 PHE CB C 51 39.470 39.470 39.079 0.391 25448 7697 1 15 . 1 1 51 51 PHE H H 51 7.989 7.989 8.254 -0.265 25448 7698 1 15 . 1 1 52 52 SER N N 52 116.521 116.521 112.079 4.442 25448 7699 1 15 . 1 1 52 52 SER HA H 52 4.429 4.429 4.308 0.121 25448 7700 1 15 . 1 1 52 52 SER C C 52 174.445 174.445 174.835 -0.390 25448 7701 1 15 . 1 1 52 52 SER CA C 52 58.365 58.365 58.891 -0.526 25448 7702 1 15 . 1 1 52 52 SER CB C 52 64.018 64.018 63.298 0.719 25448 7703 1 15 . 1 1 52 52 SER H H 52 8.018 8.018 8.167 -0.149 25448 7704 1 15 . 1 1 53 53 VAL N N 53 120.571 120.571 114.651 5.920 25448 7705 1 15 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.613 -0.510 25448 7706 1 15 . 1 1 53 53 VAL CA C 53 62.979 62.979 60.239 2.740 25448 7707 1 15 . 1 1 53 53 VAL CB C 53 32.416 32.416 35.066 -2.650 25448 7708 1 15 . 1 1 53 53 VAL H H 53 7.959 7.959 7.550 0.409 25448 7709 1 15 . 1 1 54 54 LEU N N 54 123.703 123.703 122.205 1.498 25448 7710 1 15 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.861 -0.495 25448 7711 1 15 . 1 1 54 54 LEU CA C 54 55.500 55.500 54.370 1.131 25448 7712 1 15 . 1 1 54 54 LEU CB C 54 42.293 42.293 42.953 -0.660 25448 7713 1 15 . 1 1 54 54 LEU H H 54 8.095 8.095 8.188 -0.093 25448 7714 1 15 . 1 1 55 55 SER N N 55 115.309 115.309 109.863 5.446 25448 7715 1 15 . 1 1 55 55 SER HA H 55 4.399 4.399 4.331 0.068 25448 7716 1 15 . 1 1 55 55 SER CA C 55 58.365 58.365 56.526 1.839 25448 7717 1 15 . 1 1 55 55 SER CB C 55 64.110 64.110 64.116 -0.006 25448 7718 1 15 . 1 1 55 55 SER H H 55 8.063 8.063 7.051 1.012 25448 7719 1 15 . 1 1 56 56 ASN HA H 56 4.918 4.918 5.008 -0.090 25448 7720 1 15 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.522 -0.371 25448 7721 1 15 . 1 1 56 56 ASN CB C 56 39.339 39.339 39.728 -0.389 25448 7722 1 15 . 1 1 57 57 SER N N 57 115.102 115.102 115.254 -0.152 25448 7723 1 15 . 1 1 57 57 SER HA H 57 4.694 4.694 4.556 0.138 25448 7724 1 15 . 1 1 57 57 SER CA C 57 58.307 58.307 58.470 -0.163 25448 7725 1 15 . 1 1 57 57 SER CB C 57 64.838 64.838 64.109 0.729 25448 7726 1 15 . 1 1 57 57 SER H H 57 8.065 8.065 8.441 -0.376 25448 7727 1 15 . 1 1 58 58 ALA N N 58 125.610 125.610 123.802 1.808 25448 7728 1 15 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.583 -0.089 25448 7729 1 15 . 1 1 58 58 ALA CA C 58 51.281 51.281 51.347 -0.066 25448 7730 1 15 . 1 1 58 58 ALA CB C 58 22.479 22.479 21.011 1.468 25448 7731 1 15 . 1 1 58 58 ALA H H 58 8.548 8.548 8.570 -0.022 25448 7732 1 15 . 1 1 59 59 GLU N N 59 120.190 120.190 121.519 -1.329 25448 7733 1 15 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.058 -0.025 25448 7734 1 15 . 1 1 59 59 GLU CA C 59 54.004 54.004 54.503 -0.499 25448 7735 1 15 . 1 1 59 59 GLU CB C 59 34.292 34.292 34.188 0.103 25448 7736 1 15 . 1 1 59 59 GLU H H 59 8.116 8.116 8.156 -0.040 25448 7737 1 15 . 1 1 60 60 VAL N N 60 125.380 125.380 126.087 -0.707 25448 7738 1 15 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.070 0.268 25448 7739 1 15 . 1 1 60 60 VAL CA C 60 62.784 62.784 62.327 0.458 25448 7740 1 15 . 1 1 60 60 VAL CB C 60 30.756 30.756 30.796 -0.040 25448 7741 1 15 . 1 1 60 60 VAL H H 60 8.531 8.531 8.934 -0.403 25448 7742 1 15 . 1 1 61 61 LYS N N 61 129.548 129.548 126.701 2.847 25448 7743 1 15 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.637 0.263 25448 7744 1 15 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.341 1.243 25448 7745 1 15 . 1 1 61 61 LYS CB C 61 38.034 38.034 36.928 1.106 25448 7746 1 15 . 1 1 61 61 LYS H H 61 9.068 9.068 8.794 0.274 25448 7747 1 15 . 1 1 62 62 ARG N N 62 123.653 123.653 122.628 1.025 25448 7748 1 15 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.371 0.331 25448 7749 1 15 . 1 1 62 62 ARG CA C 62 54.386 54.386 54.954 -0.568 25448 7750 1 15 . 1 1 62 62 ARG CB C 62 31.958 31.958 31.701 0.257 25448 7751 1 15 . 1 1 62 62 ARG H H 62 8.749 8.749 8.567 0.182 25448 7752 1 15 . 1 1 63 63 GLU N N 63 125.033 125.033 125.362 -0.329 25448 7753 1 15 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.933 0.065 25448 7754 1 15 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.516 0.362 25448 7755 1 15 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.994 1.989 25448 7756 1 15 . 1 1 63 63 GLU H H 63 8.973 8.973 9.089 -0.116 25448 7757 1 15 . 1 1 64 64 ARG N N 64 121.855 121.855 120.381 1.474 25448 7758 1 15 . 1 1 64 64 ARG HA H 64 3.900 3.900 4.093 -0.193 25448 7759 1 15 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.363 0.537 25448 7760 1 15 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.809 -1.263 25448 7761 1 15 . 1 1 64 64 ARG H H 64 9.273 9.273 8.852 0.421 25448 7762 1 15 . 1 1 65 65 LEU N N 65 124.611 124.611 126.519 -1.908 25448 7763 1 15 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.910 -0.340 25448 7764 1 15 . 1 1 65 65 LEU CA C 65 59.010 59.010 59.034 -0.024 25448 7765 1 15 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.697 0.026 25448 7766 1 15 . 1 1 65 65 LEU H H 65 8.823 8.823 8.723 0.100 25448 7767 1 15 . 1 1 66 66 GLU N N 66 115.188 115.188 118.167 -2.979 25448 7768 1 15 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.754 0.081 25448 7769 1 15 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.447 0.207 25448 7770 1 15 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.645 0.515 25448 7771 1 15 . 1 1 66 66 GLU H H 66 9.360 9.360 8.677 0.683 25448 7772 1 15 . 1 1 67 67 ASP N N 67 118.590 118.590 118.299 0.291 25448 7773 1 15 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.376 0.084 25448 7774 1 15 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.908 -0.341 25448 7775 1 15 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.792 -0.122 25448 7776 1 15 . 1 1 67 67 ASP H H 67 6.806 6.806 7.936 -1.130 25448 7777 1 15 . 1 1 68 68 VAL N N 68 119.985 119.985 119.203 0.782 25448 7778 1 15 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.720 -0.104 25448 7779 1 15 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.567 -0.497 25448 7780 1 15 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.692 0.475 25448 7781 1 15 . 1 1 68 68 VAL H H 68 7.414 7.414 7.962 -0.548 25448 7782 1 15 . 1 1 69 69 VAL N N 69 116.972 116.972 113.852 3.120 25448 7783 1 15 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.994 -0.492 25448 7784 1 15 . 1 1 69 69 VAL CA C 69 65.337 65.337 62.065 3.272 25448 7785 1 15 . 1 1 69 69 VAL CB C 69 32.036 32.036 30.343 1.693 25448 7786 1 15 . 1 1 69 69 VAL H H 69 8.261 8.261 8.176 0.085 25448 7787 1 15 . 1 1 70 70 GLY N N 70 107.311 107.311 108.877 -1.566 25448 7788 1 15 . 1 1 70 70 GLY CA C 70 47.610 47.610 45.685 1.925 25448 7789 1 15 . 1 1 70 70 GLY H H 70 7.395 7.395 7.320 0.075 25448 7790 1 15 . 1 1 71 71 GLY N N 71 110.582 110.582 113.873 -3.291 25448 7791 1 15 . 1 1 71 71 GLY CA C 71 45.176 45.176 45.372 -0.196 25448 7792 1 15 . 1 1 71 71 GLY H H 71 8.831 8.831 8.704 0.127 25448 7793 1 15 . 1 1 72 72 CYS N N 72 118.742 118.742 117.160 1.582 25448 7794 1 15 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.838 -0.340 25448 7795 1 15 . 1 1 72 72 CYS CA C 72 60.154 60.154 57.686 2.468 25448 7796 1 15 . 1 1 72 72 CYS CB C 72 29.295 29.295 30.512 -1.217 25448 7797 1 15 . 1 1 72 72 CYS H H 72 7.613 7.613 7.657 -0.044 25448 7798 1 15 . 1 1 73 73 CYS N N 73 120.205 120.205 123.260 -3.055 25448 7799 1 15 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.813 -0.282 25448 7800 1 15 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.096 0.696 25448 7801 1 15 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.668 -0.622 25448 7802 1 15 . 1 1 73 73 CYS H H 73 9.007 9.007 8.986 0.021 25448 7803 1 15 . 1 1 74 74 TYR N N 74 119.008 119.008 120.878 -1.870 25448 7804 1 15 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.583 0.014 25448 7805 1 15 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.616 -1.026 25448 7806 1 15 . 1 1 74 74 TYR CB C 74 41.876 41.876 40.538 1.338 25448 7807 1 15 . 1 1 74 74 TYR H H 74 8.141 8.141 8.388 -0.247 25448 7808 1 15 . 1 1 75 75 ARG N N 75 115.457 115.457 117.851 -2.394 25448 7809 1 15 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.610 0.029 25448 7810 1 15 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.922 -0.927 25448 7811 1 15 . 1 1 75 75 ARG CB C 75 33.235 33.235 33.618 -0.383 25448 7812 1 15 . 1 1 75 75 ARG H H 75 9.008 9.008 9.078 -0.070 25448 7813 1 15 . 1 1 76 76 VAL N N 76 123.071 123.071 121.133 1.938 25448 7814 1 15 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.603 -0.040 25448 7815 1 15 . 1 1 76 76 VAL CA C 76 62.968 62.968 62.017 0.952 25448 7816 1 15 . 1 1 76 76 VAL CB C 76 31.965 31.965 31.782 0.183 25448 7817 1 15 . 1 1 76 76 VAL H H 76 8.511 8.511 9.182 -0.671 25448 7818 1 15 . 1 1 77 77 ASN N N 77 126.125 126.125 127.189 -1.064 25448 7819 1 15 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.873 -0.018 25448 7820 1 15 . 1 1 77 77 ASN CA C 77 52.072 52.072 53.145 -1.073 25448 7821 1 15 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.478 -0.838 25448 7822 1 15 . 1 1 77 77 ASN H H 77 8.824 8.824 9.102 -0.278 25448 7823 1 15 . 1 1 78 78 ASN N N 78 124.269 124.269 123.831 0.438 25448 7824 1 15 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.829 0.517 25448 7825 1 15 . 1 1 78 78 ASN CA C 78 52.124 52.124 52.839 -0.715 25448 7826 1 15 . 1 1 78 78 ASN CB C 78 36.948 36.948 37.026 -0.078 25448 7827 1 15 . 1 1 78 78 ASN H H 78 8.685 8.685 8.804 -0.119 25448 7828 1 15 . 1 1 79 79 SER N N 79 117.959 117.959 117.104 0.855 25448 7829 1 15 . 1 1 79 79 SER HA H 79 4.112 4.112 4.212 -0.100 25448 7830 1 15 . 1 1 79 79 SER CA C 79 62.669 62.669 61.602 1.067 25448 7831 1 15 . 1 1 79 79 SER CB C 79 63.727 63.727 63.256 0.471 25448 7832 1 15 . 1 1 79 79 SER H H 79 8.109 8.109 8.080 0.029 25448 7833 1 15 . 1 1 80 80 LEU N N 80 121.272 121.272 122.068 -0.796 25448 7834 1 15 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.010 0.460 25448 7835 1 15 . 1 1 80 80 LEU CA C 80 55.542 55.542 56.534 -0.992 25448 7836 1 15 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.259 0.241 25448 7837 1 15 . 1 1 80 80 LEU H H 80 7.947 7.947 7.893 0.054 25448 7838 1 15 . 1 1 81 81 ASP N N 81 121.692 121.692 119.380 2.312 25448 7839 1 15 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.439 0.651 25448 7840 1 15 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.517 0.087 25448 7841 1 15 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.063 -0.763 25448 7842 1 15 . 1 1 81 81 ASP H H 81 8.294 8.294 7.829 0.465 25448 7843 1 15 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.583 -0.128 25448 7844 1 15 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.062 0.838 25448 7845 1 15 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.442 -0.676 25448 7846 1 15 . 1 1 83 83 GLU N N 83 118.940 118.940 118.537 0.403 25448 7847 1 15 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.074 0.079 25448 7848 1 15 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.200 -0.330 25448 7849 1 15 . 1 1 83 83 GLU CB C 83 32.422 32.422 30.698 1.724 25448 7850 1 15 . 1 1 83 83 GLU H H 83 7.476 7.476 7.674 -0.198 25448 7851 1 15 . 1 1 84 84 TYR N N 84 119.225 119.225 117.877 1.348 25448 7852 1 15 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.782 -0.016 25448 7853 1 15 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.081 -1.158 25448 7854 1 15 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.860 1.364 25448 7855 1 15 . 1 1 84 84 TYR H H 84 8.207 8.207 8.104 0.103 25448 7856 1 15 . 1 1 85 85 GLN N N 85 119.667 119.667 119.591 0.076 25448 7857 1 15 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.496 0.302 25448 7858 1 15 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.745 -1.542 25448 7859 1 15 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.141 1.225 25448 7860 1 15 . 1 1 85 85 GLN H H 85 8.264 8.264 8.860 -0.596 25448 7861 1 15 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.390 0.032 25448 7862 1 15 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.675 -1.063 25448 7863 1 15 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.065 -0.215 25448 7864 1 15 . 1 1 87 87 ARG N N 87 121.150 121.150 123.652 -2.502 25448 7865 1 15 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.798 -0.393 25448 7866 1 15 . 1 1 87 87 ARG CA C 87 55.600 55.600 52.962 2.638 25448 7867 1 15 . 1 1 87 87 ARG CB C 87 29.301 29.301 30.800 -1.499 25448 7868 1 15 . 1 1 87 87 ARG H H 87 8.254 8.254 8.337 -0.083 25448 7869 1 15 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.567 -0.120 25448 7870 1 15 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.671 0.308 25448 7871 1 15 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.358 -0.088 25448 7872 1 15 . 1 1 89 89 VAL N N 89 125.682 125.682 126.800 -1.118 25448 7873 1 15 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.670 -0.169 25448 7874 1 15 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.236 2.175 25448 7875 1 15 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.052 -0.417 25448 7876 1 15 . 1 1 89 89 VAL H H 89 8.678 8.678 8.584 0.094 25448 7877 1 15 . 1 1 90 90 GLU N N 90 117.092 117.092 119.097 -2.005 25448 7878 1 15 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.100 -0.073 25448 7879 1 15 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.443 0.572 25448 7880 1 15 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.855 -0.222 25448 7881 1 15 . 1 1 90 90 GLU H H 90 9.318 9.318 8.922 0.396 25448 7882 1 15 . 1 1 91 91 VAL N N 91 119.967 119.967 119.974 -0.007 25448 7883 1 15 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.737 0.127 25448 7884 1 15 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.647 -0.647 25448 7885 1 15 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.648 0.252 25448 7886 1 15 . 1 1 91 91 VAL H H 91 7.153 7.153 7.716 -0.563 25448 7887 1 15 . 1 1 92 92 ILE N N 92 122.669 122.669 121.719 0.950 25448 7888 1 15 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.903 -0.593 25448 7889 1 15 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.370 1.341 25448 7890 1 15 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.947 0.616 25448 7891 1 15 . 1 1 92 92 ILE H H 92 8.004 8.004 7.261 0.743 25448 7892 1 15 . 1 1 93 93 ILE N N 93 115.049 115.049 119.763 -4.714 25448 7893 1 15 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.555 -0.023 25448 7894 1 15 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.840 -0.755 25448 7895 1 15 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.589 -0.426 25448 7896 1 15 . 1 1 93 93 ILE H H 93 8.305 8.305 8.288 0.017 25448 7897 1 15 . 1 1 94 94 SER N N 94 115.196 115.196 115.894 -0.698 25448 7898 1 15 . 1 1 94 94 SER HA H 94 4.101 4.101 4.019 0.082 25448 7899 1 15 . 1 1 94 94 SER CA C 94 62.300 62.300 61.878 0.422 25448 7900 1 15 . 1 1 94 94 SER H H 94 7.927 7.927 8.554 -0.627 25448 7901 1 15 . 1 1 95 95 SER N N 95 117.891 117.891 118.159 -0.268 25448 7902 1 15 . 1 1 95 95 SER HA H 95 4.209 4.209 4.109 0.100 25448 7903 1 15 . 1 1 95 95 SER CA C 95 62.100 62.100 62.169 -0.069 25448 7904 1 15 . 1 1 95 95 SER CB C 95 62.714 62.714 62.924 -0.210 25448 7905 1 15 . 1 1 95 95 SER H H 95 8.174 8.174 8.201 -0.027 25448 7906 1 15 . 1 1 96 96 ALA N N 96 123.830 123.830 124.414 -0.584 25448 7907 1 15 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.067 -0.176 25448 7908 1 15 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.346 -0.070 25448 7909 1 15 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.310 1.638 25448 7910 1 15 . 1 1 96 96 ALA H H 96 8.110 8.110 8.338 -0.228 25448 7911 1 15 . 1 1 97 97 LYS N N 97 115.893 115.893 118.577 -2.684 25448 7912 1 15 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.994 -0.186 25448 7913 1 15 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.281 1.069 25448 7914 1 15 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.406 0.292 25448 7915 1 15 . 1 1 97 97 LYS H H 97 8.218 8.218 8.159 0.059 25448 7916 1 15 . 1 1 98 98 GLU N N 98 117.006 117.006 118.162 -1.156 25448 7917 1 15 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.088 0.052 25448 7918 1 15 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.478 -0.257 25448 7919 1 15 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.622 0.154 25448 7920 1 15 . 1 1 98 98 GLU H H 98 7.474 7.474 8.305 -0.831 25448 7921 1 15 . 1 1 99 99 MET N N 99 114.572 114.572 117.048 -2.476 25448 7922 1 15 . 1 1 99 99 MET HA H 99 4.533 4.533 4.355 0.178 25448 7923 1 15 . 1 1 99 99 MET CA C 99 55.292 55.292 56.296 -1.004 25448 7924 1 15 . 1 1 99 99 MET CB C 99 33.777 33.777 33.448 0.329 25448 7925 1 15 . 1 1 99 99 MET H H 99 7.378 7.378 8.236 -0.858 25448 7926 1 15 . 1 1 100 100 VAL N N 100 119.104 119.104 118.251 0.853 25448 7927 1 15 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.578 -0.312 25448 7928 1 15 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.091 0.956 25448 7929 1 15 . 1 1 100 100 VAL CB C 100 31.325 31.325 30.733 0.592 25448 7930 1 15 . 1 1 100 100 VAL H H 100 7.056 7.056 8.045 -0.989 25448 7931 1 15 . 1 1 101 101 GLY N N 101 116.779 116.779 115.428 1.351 25448 7932 1 15 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.746 -0.095 25448 7933 1 15 . 1 1 101 101 GLY H H 101 8.979 8.979 8.816 0.163 25448 7934 1 15 . 1 1 102 102 GLN N N 102 119.990 119.990 121.018 -1.028 25448 7935 1 15 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.342 -0.145 25448 7936 1 15 . 1 1 102 102 GLN C C 102 174.994 174.994 175.144 -0.150 25448 7937 1 15 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.670 0.993 25448 7938 1 15 . 1 1 102 102 GLN CB C 102 28.936 28.936 29.934 -0.998 25448 7939 1 15 . 1 1 102 102 GLN H H 102 8.103 8.103 8.147 -0.044 25448 7940 1 15 . 1 1 103 103 LYS N N 103 120.261 120.261 122.069 -1.808 25448 7941 1 15 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.191 0.075 25448 7942 1 15 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.200 -0.558 25448 7943 1 15 . 1 1 103 103 LYS CB C 103 34.196 34.196 35.125 -0.929 25448 7944 1 15 . 1 1 103 103 LYS H H 103 8.310 8.310 8.469 -0.159 25448 7945 1 15 . 1 1 104 104 MET N N 104 119.868 119.868 121.541 -1.673 25448 7946 1 15 . 1 1 104 104 MET HA H 104 4.692 4.692 4.805 -0.113 25448 7947 1 15 . 1 1 104 104 MET CA C 104 54.276 54.276 52.817 1.459 25448 7948 1 15 . 1 1 104 104 MET CB C 104 36.831 36.831 34.803 2.028 25448 7949 1 15 . 1 1 104 104 MET H H 104 8.556 8.556 8.965 -0.409 25448 7950 1 15 . 1 1 105 105 LYS N N 105 120.932 120.932 122.135 -1.203 25448 7951 1 15 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.240 0.126 25448 7952 1 15 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.442 0.658 25448 7953 1 15 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.718 0.172 25448 7954 1 15 . 1 1 105 105 LYS H H 105 8.257 8.257 8.503 -0.246 25448 7955 1 15 . 1 1 106 106 TYR N N 106 122.600 122.600 120.566 2.034 25448 7956 1 15 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.398 0.020 25448 7957 1 15 . 1 1 106 106 TYR CA C 106 56.726 56.726 59.005 -2.279 25448 7958 1 15 . 1 1 106 106 TYR CB C 106 38.561 38.561 37.815 0.747 25448 7959 1 15 . 1 1 106 106 TYR H H 106 8.378 8.378 8.193 0.185 25448 7960 1 15 . 1 1 107 107 SER N N 107 116.904 116.904 115.399 1.505 25448 7961 1 15 . 1 1 107 107 SER CA C 107 56.717 56.717 58.146 -1.429 25448 7962 1 15 . 1 1 107 107 SER CB C 107 63.983 63.983 62.541 1.442 25448 7963 1 15 . 1 1 107 107 SER H H 107 8.044 8.044 7.396 0.648 25448 7964 1 15 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.950 0.063 25448 7965 1 15 . 1 1 109 109 VAL CA C 109 64.307 64.307 64.194 0.113 25448 7966 1 15 . 1 1 109 109 VAL CB C 109 32.000 32.000 31.461 0.539 25448 7967 1 15 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.091 0.281 25448 7968 1 15 . 1 1 111 111 ARG CA C 111 57.100 57.100 57.661 -0.561 25448 7969 1 15 . 1 1 111 111 ARG CB C 111 28.110 28.110 30.927 -2.817 25448 7970 1 15 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.250 0.238 25448 7971 1 15 . 1 1 113 113 CYS CA C 113 61.609 61.609 63.220 -1.611 25448 7972 1 15 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.513 -0.713 25448 7973 1 15 . 1 1 114 114 GLU N N 114 125.287 125.287 121.569 3.718 25448 7974 1 15 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.528 -0.089 25448 7975 1 15 . 1 1 114 114 GLU CA C 114 58.669 58.669 58.970 -0.301 25448 7976 1 15 . 1 1 114 114 GLU CB C 114 30.058 30.058 27.261 2.797 25448 7977 1 15 . 1 1 114 114 GLU H H 114 7.720 7.720 8.828 -1.108 25448 7978 1 15 . 1 1 115 115 HIS N N 115 119.008 119.008 120.123 -1.115 25448 7979 1 15 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.167 0.230 25448 7980 1 15 . 1 1 115 115 HIS CA C 115 58.460 58.460 60.316 -1.856 25448 7981 1 15 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.423 0.638 25448 7982 1 15 . 1 1 115 115 HIS H H 115 8.051 8.051 8.067 -0.016 25448 7983 1 15 . 1 1 116 116 PHE N N 116 117.059 117.059 121.821 -4.762 25448 7984 1 15 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.256 0.092 25448 7985 1 15 . 1 1 116 116 PHE CA C 116 61.077 61.077 60.383 0.694 25448 7986 1 15 . 1 1 116 116 PHE CB C 116 39.598 39.598 39.320 0.278 25448 7987 1 15 . 1 1 116 116 PHE H H 116 8.168 8.168 8.741 -0.573 25448 7988 1 15 . 1 1 117 117 VAL N N 117 107.857 107.857 115.183 -7.326 25448 7989 1 15 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.243 0.622 25448 7990 1 15 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.432 -0.841 25448 7991 1 15 . 1 1 117 117 VAL CB C 117 30.573 30.573 30.632 -0.059 25448 7992 1 15 . 1 1 117 117 VAL H H 117 7.080 7.080 8.022 -0.942 25448 7993 1 15 . 1 1 118 118 THR N N 118 117.382 117.382 117.809 -0.427 25448 7994 1 15 . 1 1 118 118 THR HA H 118 4.046 4.046 3.935 0.111 25448 7995 1 15 . 1 1 118 118 THR CA C 118 66.745 66.745 67.121 -0.376 25448 7996 1 15 . 1 1 118 118 THR CB C 118 68.185 68.185 68.404 -0.219 25448 7997 1 15 . 1 1 118 118 THR H H 118 8.465 8.465 8.073 0.392 25448 7998 1 15 . 1 1 119 119 GLN N N 119 121.900 121.900 121.130 0.770 25448 7999 1 15 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.118 -0.233 25448 8000 1 15 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.977 0.025 25448 8001 1 15 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.382 -0.771 25448 8002 1 15 . 1 1 119 119 GLN H H 119 8.074 8.074 8.188 -0.114 25448 8003 1 15 . 1 1 120 120 LEU N N 120 117.899 117.899 118.532 -0.633 25448 8004 1 15 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.906 -0.071 25448 8005 1 15 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.813 -0.386 25448 8006 1 15 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.274 0.960 25448 8007 1 15 . 1 1 120 120 LEU H H 120 6.829 6.829 7.494 -0.665 25448 8008 1 15 . 1 1 121 121 ARG N N 121 117.250 117.250 118.265 -1.015 25448 8009 1 15 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.115 -0.195 25448 8010 1 15 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.593 0.450 25448 8011 1 15 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.711 -0.455 25448 8012 1 15 . 1 1 121 121 ARG H H 121 7.677 7.677 7.719 -0.042 25448 8013 1 15 . 1 1 122 122 TYR N N 122 111.508 111.508 120.868 -9.360 25448 8014 1 15 . 1 1 122 122 TYR HA H 122 4.640 4.640 3.891 0.749 25448 8015 1 15 . 1 1 122 122 TYR CA C 122 58.522 58.522 59.630 -1.108 25448 8016 1 15 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.184 1.490 25448 8017 1 15 . 1 1 122 122 TYR H H 122 8.114 8.114 8.747 -0.633 25448 8018 1 15 . 1 1 123 123 GLY N N 123 109.399 109.399 105.825 3.574 25448 8019 1 15 . 1 1 123 123 GLY CA C 123 45.341 45.341 45.588 -0.247 25448 8020 1 15 . 1 1 123 123 GLY H H 123 8.032 8.032 8.037 -0.005 25448 8021 1 15 . 1 1 124 124 LYS N N 124 117.936 117.936 120.741 -2.805 25448 8022 1 15 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.124 0.228 25448 8023 1 15 . 1 1 124 124 LYS CA C 124 55.200 55.200 57.047 -1.847 25448 8024 1 15 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.550 1.448 25448 8025 1 15 . 1 1 124 124 LYS H H 124 7.402 7.402 7.557 -0.155 25448 8026 1 16 . 1 1 3 3 SER N N 3 113.812 113.812 117.266 -3.454 25448 8027 1 16 . 1 1 3 3 SER HA H 3 4.697 4.697 4.762 -0.065 25448 8028 1 16 . 1 1 3 3 SER CA C 3 58.996 58.996 57.097 1.899 25448 8029 1 16 . 1 1 3 3 SER CB C 3 63.800 63.800 63.037 0.763 25448 8030 1 16 . 1 1 3 3 SER H H 3 7.587 7.587 8.317 -0.730 25448 8031 1 16 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.612 -0.199 25448 8032 1 16 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.182 0.172 25448 8033 1 16 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.371 -0.471 25448 8034 1 16 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.890 -0.333 25448 8035 1 16 . 1 1 5 5 HIS CA C 5 56.230 56.230 55.830 0.400 25448 8036 1 16 . 1 1 5 5 HIS CB C 5 30.500 30.500 32.431 -1.931 25448 8037 1 16 . 1 1 5 5 HIS H H 5 6.984 6.984 8.584 -1.600 25448 8038 1 16 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.580 -0.292 25448 8039 1 16 . 1 1 6 6 GLN CA C 6 55.174 55.174 55.372 -0.198 25448 8040 1 16 . 1 1 6 6 GLN CB C 6 30.042 30.042 31.137 -1.095 25448 8041 1 16 . 1 1 7 7 GLU N N 7 124.477 124.477 121.638 2.839 25448 8042 1 16 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.705 -0.216 25448 8043 1 16 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.079 1.032 25448 8044 1 16 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.133 -1.221 25448 8045 1 16 . 1 1 7 7 GLU H H 7 8.353 8.353 8.510 -0.157 25448 8046 1 16 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.505 -0.161 25448 8047 1 16 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.433 -0.035 25448 8048 1 16 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.514 -1.114 25448 8049 1 16 . 1 1 9 9 LYS N N 9 122.328 122.328 119.957 2.371 25448 8050 1 16 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.789 0.084 25448 8051 1 16 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.821 0.330 25448 8052 1 16 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.582 -1.443 25448 8053 1 16 . 1 1 9 9 LYS H H 9 9.336 9.336 8.961 0.375 25448 8054 1 16 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.338 -0.415 25448 8055 1 16 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.680 -0.146 25448 8056 1 16 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.485 0.144 25448 8057 1 16 . 1 1 11 11 GLY N N 11 112.758 112.758 114.878 -2.120 25448 8058 1 16 . 1 1 11 11 GLY CA C 11 45.182 45.182 44.942 0.240 25448 8059 1 16 . 1 1 11 11 GLY H H 11 9.359 9.359 9.136 0.223 25448 8060 1 16 . 1 1 12 12 ASP N N 12 120.500 120.500 122.077 -1.577 25448 8061 1 16 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.855 0.015 25448 8062 1 16 . 1 1 12 12 ASP CA C 12 55.211 55.211 55.150 0.061 25448 8063 1 16 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.267 1.679 25448 8064 1 16 . 1 1 12 12 ASP H H 12 8.277 8.277 8.075 0.202 25448 8065 1 16 . 1 1 13 13 LEU N N 13 119.594 119.594 124.199 -4.605 25448 8066 1 16 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.813 0.164 25448 8067 1 16 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.709 -0.720 25448 8068 1 16 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.366 -1.168 25448 8069 1 16 . 1 1 13 13 LEU H H 13 9.103 9.103 9.295 -0.192 25448 8070 1 16 . 1 1 14 14 ILE N N 14 121.352 121.352 124.828 -3.476 25448 8071 1 16 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.739 -0.129 25448 8072 1 16 . 1 1 14 14 ILE CA C 14 58.178 58.178 60.399 -2.221 25448 8073 1 16 . 1 1 14 14 ILE CB C 14 39.213 39.213 39.523 -0.310 25448 8074 1 16 . 1 1 14 14 ILE H H 14 9.221 9.221 9.394 -0.173 25448 8075 1 16 . 1 1 15 15 GLU N N 15 129.555 129.555 127.870 1.685 25448 8076 1 16 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.215 -0.997 25448 8077 1 16 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.296 0.152 25448 8078 1 16 . 1 1 15 15 GLU CB C 15 31.783 31.783 32.300 -0.517 25448 8079 1 16 . 1 1 15 15 GLU H H 15 8.625 8.625 9.064 -0.439 25448 8080 1 16 . 1 1 16 16 ILE N N 16 125.258 125.258 124.773 0.485 25448 8081 1 16 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.377 -0.268 25448 8082 1 16 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.577 0.923 25448 8083 1 16 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.104 0.297 25448 8084 1 16 . 1 1 16 16 ILE H H 16 8.557 8.557 8.483 0.074 25448 8085 1 16 . 1 1 17 17 PHE N N 17 127.058 127.058 126.059 0.999 25448 8086 1 16 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.485 0.017 25448 8087 1 16 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.785 2.154 25448 8088 1 16 . 1 1 17 17 PHE CB C 17 37.496 37.496 36.831 0.665 25448 8089 1 16 . 1 1 17 17 PHE H H 17 8.500 8.500 8.686 -0.186 25448 8090 1 16 . 1 1 18 18 ARG N N 18 124.569 124.569 121.145 3.424 25448 8091 1 16 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.171 0.479 25448 8092 1 16 . 1 1 18 18 ARG CA C 18 54.596 54.596 55.756 -1.160 25448 8093 1 16 . 1 1 18 18 ARG CB C 18 30.206 30.206 30.970 -0.764 25448 8094 1 16 . 1 1 18 18 ARG H H 18 7.686 7.686 7.348 0.338 25448 8095 1 16 . 1 1 19 19 LEU N N 19 121.049 121.049 123.996 -2.947 25448 8096 1 16 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.151 0.273 25448 8097 1 16 . 1 1 19 19 LEU CA C 19 56.123 56.123 55.794 0.329 25448 8098 1 16 . 1 1 19 19 LEU CB C 19 40.296 40.296 42.056 -1.760 25448 8099 1 16 . 1 1 19 19 LEU H H 19 8.103 8.103 8.499 -0.396 25448 8100 1 16 . 1 1 20 20 GLY N N 20 115.623 115.623 110.381 5.242 25448 8101 1 16 . 1 1 20 20 GLY CA C 20 45.736 45.736 46.283 -0.547 25448 8102 1 16 . 1 1 20 20 GLY H H 20 8.686 8.686 8.972 -0.286 25448 8103 1 16 . 1 1 21 21 TYR N N 21 115.905 115.905 120.720 -4.815 25448 8104 1 16 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.651 0.109 25448 8105 1 16 . 1 1 21 21 TYR CA C 21 56.507 56.507 56.797 -0.290 25448 8106 1 16 . 1 1 21 21 TYR CB C 21 38.631 38.631 41.180 -2.549 25448 8107 1 16 . 1 1 21 21 TYR H H 21 7.433 7.433 7.638 -0.205 25448 8108 1 16 . 1 1 22 22 GLU N N 22 116.649 116.649 125.481 -8.832 25448 8109 1 16 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.214 0.946 25448 8110 1 16 . 1 1 22 22 GLU CA C 22 56.255 56.255 56.637 -0.382 25448 8111 1 16 . 1 1 22 22 GLU CB C 22 32.167 32.167 29.813 2.354 25448 8112 1 16 . 1 1 22 22 GLU H H 22 8.139 8.139 8.485 -0.346 25448 8113 1 16 . 1 1 23 23 HIS N N 23 122.171 122.171 118.257 3.914 25448 8114 1 16 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.869 0.719 25448 8115 1 16 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.689 -0.528 25448 8116 1 16 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.647 0.723 25448 8117 1 16 . 1 1 23 23 HIS H H 23 8.943 8.943 8.522 0.421 25448 8118 1 16 . 1 1 24 24 TRP N N 24 124.412 124.412 118.348 6.064 25448 8119 1 16 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.617 0.080 25448 8120 1 16 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.613 -0.707 25448 8121 1 16 . 1 1 24 24 TRP CB C 24 33.156 33.156 35.297 -2.141 25448 8122 1 16 . 1 1 24 24 TRP H H 24 6.764 6.764 8.825 -2.061 25448 8123 1 16 . 1 1 25 25 ALA N N 25 121.149 121.149 121.469 -0.320 25448 8124 1 16 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.257 -0.396 25448 8125 1 16 . 1 1 25 25 ALA CA C 25 50.352 50.352 51.038 -0.686 25448 8126 1 16 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.327 -0.374 25448 8127 1 16 . 1 1 25 25 ALA H H 25 9.336 9.336 9.149 0.187 25448 8128 1 16 . 1 1 26 26 LEU N N 26 122.472 122.472 123.784 -1.312 25448 8129 1 16 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.273 -0.013 25448 8130 1 16 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.888 0.753 25448 8131 1 16 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.564 1.857 25448 8132 1 16 . 1 1 26 26 LEU H H 26 8.835 8.835 9.076 -0.241 25448 8133 1 16 . 1 1 27 27 TYR N N 27 128.215 128.215 128.949 -0.734 25448 8134 1 16 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.571 0.181 25448 8135 1 16 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.670 1.132 25448 8136 1 16 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.986 -1.316 25448 8137 1 16 . 1 1 27 27 TYR H H 27 9.750 9.750 9.160 0.590 25448 8138 1 16 . 1 1 28 28 ILE N N 28 119.796 119.796 121.621 -1.825 25448 8139 1 16 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.525 0.048 25448 8140 1 16 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.247 0.571 25448 8141 1 16 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.346 -0.446 25448 8142 1 16 . 1 1 28 28 ILE H H 28 8.196 8.196 7.890 0.306 25448 8143 1 16 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.204 -0.204 25448 8144 1 16 . 1 1 29 29 GLY H H 29 6.584 6.584 6.671 -0.087 25448 8145 1 16 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.321 0.101 25448 8146 1 16 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.100 0.540 25448 8147 1 16 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.283 -0.030 25448 8148 1 16 . 1 1 30 30 ASP H H 30 6.837 6.837 8.806 -1.969 25448 8149 1 16 . 1 1 31 31 GLY N N 31 124.953 124.953 103.372 21.581 25448 8150 1 16 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.309 0.229 25448 8151 1 16 . 1 1 31 31 GLY H H 31 8.120 8.120 8.007 0.113 25448 8152 1 16 . 1 1 32 32 TYR N N 32 120.196 120.196 120.169 0.027 25448 8153 1 16 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.116 -0.186 25448 8154 1 16 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.136 0.652 25448 8155 1 16 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.982 1.013 25448 8156 1 16 . 1 1 32 32 TYR H H 32 7.843 7.843 7.669 0.174 25448 8157 1 16 . 1 1 33 33 VAL N N 33 109.892 109.892 114.562 -4.670 25448 8158 1 16 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.080 0.386 25448 8159 1 16 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.532 -2.071 25448 8160 1 16 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.870 -0.713 25448 8161 1 16 . 1 1 33 33 VAL H H 33 9.242 9.242 9.303 -0.061 25448 8162 1 16 . 1 1 34 34 ILE N N 34 119.424 119.424 121.009 -1.585 25448 8163 1 16 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.388 0.167 25448 8164 1 16 . 1 1 34 34 ILE CA C 34 60.331 60.331 59.993 0.338 25448 8165 1 16 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.643 0.289 25448 8166 1 16 . 1 1 34 34 ILE H H 34 9.084 9.084 8.975 0.109 25448 8167 1 16 . 1 1 35 35 HIS N N 35 123.118 123.118 121.744 1.374 25448 8168 1 16 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.343 -0.185 25448 8169 1 16 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.633 -0.415 25448 8170 1 16 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.818 2.182 25448 8171 1 16 . 1 1 35 35 HIS H H 35 9.110 9.110 9.175 -0.065 25448 8172 1 16 . 1 1 36 36 LEU N N 36 123.704 123.704 121.755 1.949 25448 8173 1 16 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.396 -0.312 25448 8174 1 16 . 1 1 36 36 LEU CA C 36 53.682 53.682 53.949 -0.267 25448 8175 1 16 . 1 1 36 36 LEU CB C 36 41.631 41.631 44.035 -2.404 25448 8176 1 16 . 1 1 36 36 LEU H H 36 8.991 8.991 8.594 0.397 25448 8177 1 16 . 1 1 37 37 ALA N N 37 129.765 129.765 129.338 0.427 25448 8178 1 16 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.905 -0.578 25448 8179 1 16 . 1 1 37 37 ALA CA C 37 49.698 49.698 48.742 0.956 25448 8180 1 16 . 1 1 37 37 ALA CB C 37 19.428 19.428 19.957 -0.529 25448 8181 1 16 . 1 1 37 37 ALA H H 37 8.050 8.050 8.617 -0.567 25448 8182 1 16 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.372 -0.368 25448 8183 1 16 . 1 1 38 38 PRO CA C 38 60.800 60.800 60.445 0.355 25448 8184 1 16 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.086 -0.558 25448 8185 1 16 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.494 -0.120 25448 8186 1 16 . 1 1 39 39 PRO CA C 39 62.900 62.900 62.796 0.104 25448 8187 1 16 . 1 1 39 39 PRO CB C 39 32.000 32.000 32.373 -0.373 25448 8188 1 16 . 1 1 40 40 SER N N 40 114.906 114.906 118.276 -3.370 25448 8189 1 16 . 1 1 40 40 SER HA H 40 4.326 4.326 4.413 -0.087 25448 8190 1 16 . 1 1 40 40 SER CA C 40 58.700 58.700 58.798 -0.098 25448 8191 1 16 . 1 1 40 40 SER CB C 40 64.004 64.004 63.684 0.319 25448 8192 1 16 . 1 1 40 40 SER H H 40 8.184 8.184 8.394 -0.210 25448 8193 1 16 . 1 1 41 41 GLU N N 41 121.221 121.221 119.730 1.491 25448 8194 1 16 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.242 0.019 25448 8195 1 16 . 1 1 41 41 GLU CA C 41 56.424 56.424 55.923 0.501 25448 8196 1 16 . 1 1 41 41 GLU CB C 41 30.514 30.514 30.878 -0.364 25448 8197 1 16 . 1 1 41 41 GLU H H 41 8.401 8.401 7.653 0.748 25448 8198 1 16 . 1 1 42 42 TYR N N 42 121.900 121.900 122.175 -0.275 25448 8199 1 16 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.886 -0.106 25448 8200 1 16 . 1 1 42 42 TYR CA C 42 55.700 55.700 56.439 -0.739 25448 8201 1 16 . 1 1 42 42 TYR CB C 42 38.400 38.400 38.173 0.227 25448 8202 1 16 . 1 1 42 42 TYR H H 42 8.117 8.117 8.225 -0.108 25448 8203 1 16 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.478 -0.075 25448 8204 1 16 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.910 0.570 25448 8205 1 16 . 1 1 43 43 PRO CB C 43 31.800 31.800 33.141 -1.341 25448 8206 1 16 . 1 1 44 44 GLY N N 44 109.030 109.030 110.795 -1.765 25448 8207 1 16 . 1 1 44 44 GLY CA C 44 45.244 45.244 45.050 0.194 25448 8208 1 16 . 1 1 44 44 GLY H H 44 8.001 8.001 8.435 -0.434 25448 8209 1 16 . 1 1 45 45 ALA N N 45 123.500 123.500 126.295 -2.795 25448 8210 1 16 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.385 -0.073 25448 8211 1 16 . 1 1 45 45 ALA CA C 45 52.853 52.853 51.871 0.982 25448 8212 1 16 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.383 -0.061 25448 8213 1 16 . 1 1 45 45 ALA H H 45 8.082 8.082 8.275 -0.193 25448 8214 1 16 . 1 1 46 46 GLY N N 46 108.151 108.151 107.494 0.657 25448 8215 1 16 . 1 1 46 46 GLY CA C 46 45.460 45.460 45.501 -0.041 25448 8216 1 16 . 1 1 46 46 GLY H H 46 8.408 8.408 7.864 0.544 25448 8217 1 16 . 1 1 48 48 SER N N 48 116.904 116.904 116.310 0.594 25448 8218 1 16 . 1 1 48 48 SER HA H 48 4.700 4.700 4.331 0.369 25448 8219 1 16 . 1 1 48 48 SER H H 48 8.044 8.044 8.603 -0.559 25448 8220 1 16 . 1 1 49 49 SER HA H 49 4.456 4.456 4.636 -0.179 25448 8221 1 16 . 1 1 49 49 SER CA C 49 58.713 58.713 60.713 -2.000 25448 8222 1 16 . 1 1 49 49 SER CB C 49 64.000 64.000 64.032 -0.032 25448 8223 1 16 . 1 1 50 50 VAL N N 50 120.352 120.352 119.596 0.756 25448 8224 1 16 . 1 1 50 50 VAL HA H 50 4.033 4.033 4.138 -0.105 25448 8225 1 16 . 1 1 50 50 VAL CA C 50 62.816 62.816 64.466 -1.651 25448 8226 1 16 . 1 1 50 50 VAL CB C 50 32.416 32.416 30.097 2.319 25448 8227 1 16 . 1 1 50 50 VAL H H 50 7.890 7.890 8.397 -0.507 25448 8228 1 16 . 1 1 51 51 PHE N N 51 121.600 121.600 120.913 0.687 25448 8229 1 16 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.202 0.374 25448 8230 1 16 . 1 1 51 51 PHE CA C 51 58.198 58.198 60.878 -2.680 25448 8231 1 16 . 1 1 51 51 PHE CB C 51 39.470 39.470 39.038 0.432 25448 8232 1 16 . 1 1 51 51 PHE H H 51 7.989 7.989 8.090 -0.101 25448 8233 1 16 . 1 1 52 52 SER N N 52 116.521 116.521 114.187 2.334 25448 8234 1 16 . 1 1 52 52 SER HA H 52 4.429 4.429 4.395 0.034 25448 8235 1 16 . 1 1 52 52 SER C C 52 174.445 174.445 174.731 -0.286 25448 8236 1 16 . 1 1 52 52 SER CA C 52 58.365 58.365 59.840 -1.476 25448 8237 1 16 . 1 1 52 52 SER CB C 52 64.018 64.018 64.754 -0.736 25448 8238 1 16 . 1 1 52 52 SER H H 52 8.018 8.018 7.917 0.101 25448 8239 1 16 . 1 1 53 53 VAL N N 53 120.571 120.571 122.802 -2.231 25448 8240 1 16 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.237 -0.134 25448 8241 1 16 . 1 1 53 53 VAL CA C 53 62.979 62.979 61.335 1.644 25448 8242 1 16 . 1 1 53 53 VAL CB C 53 32.416 32.416 29.812 2.604 25448 8243 1 16 . 1 1 53 53 VAL H H 53 7.959 7.959 8.472 -0.513 25448 8244 1 16 . 1 1 54 54 LEU N N 54 123.703 123.703 125.269 -1.566 25448 8245 1 16 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.384 -0.018 25448 8246 1 16 . 1 1 54 54 LEU CA C 54 55.500 55.500 55.800 -0.299 25448 8247 1 16 . 1 1 54 54 LEU CB C 54 42.293 42.293 42.690 -0.397 25448 8248 1 16 . 1 1 54 54 LEU H H 54 8.095 8.095 7.377 0.718 25448 8249 1 16 . 1 1 55 55 SER N N 55 115.309 115.309 114.976 0.333 25448 8250 1 16 . 1 1 55 55 SER HA H 55 4.399 4.399 4.283 0.116 25448 8251 1 16 . 1 1 55 55 SER CA C 55 58.365 58.365 59.806 -1.441 25448 8252 1 16 . 1 1 55 55 SER CB C 55 64.110 64.110 63.060 1.050 25448 8253 1 16 . 1 1 55 55 SER H H 55 8.063 8.063 8.220 -0.157 25448 8254 1 16 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.978 -0.059 25448 8255 1 16 . 1 1 56 56 ASN CA C 56 53.151 53.151 52.769 0.382 25448 8256 1 16 . 1 1 56 56 ASN CB C 56 39.339 39.339 39.758 -0.419 25448 8257 1 16 . 1 1 57 57 SER N N 57 115.102 115.102 116.128 -1.026 25448 8258 1 16 . 1 1 57 57 SER HA H 57 4.694 4.694 4.497 0.197 25448 8259 1 16 . 1 1 57 57 SER CA C 57 58.307 58.307 58.148 0.160 25448 8260 1 16 . 1 1 57 57 SER CB C 57 64.838 64.838 64.184 0.654 25448 8261 1 16 . 1 1 57 57 SER H H 57 8.065 8.065 7.625 0.440 25448 8262 1 16 . 1 1 58 58 ALA N N 58 125.610 125.610 123.268 2.342 25448 8263 1 16 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.623 -0.129 25448 8264 1 16 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.985 0.296 25448 8265 1 16 . 1 1 58 58 ALA CB C 58 22.479 22.479 20.769 1.710 25448 8266 1 16 . 1 1 58 58 ALA H H 58 8.548 8.548 8.561 -0.013 25448 8267 1 16 . 1 1 59 59 GLU N N 59 120.190 120.190 119.596 0.594 25448 8268 1 16 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.028 0.005 25448 8269 1 16 . 1 1 59 59 GLU CA C 59 54.004 54.004 54.187 -0.183 25448 8270 1 16 . 1 1 59 59 GLU CB C 59 34.292 34.292 34.327 -0.035 25448 8271 1 16 . 1 1 59 59 GLU H H 59 8.116 8.116 8.394 -0.278 25448 8272 1 16 . 1 1 60 60 VAL N N 60 125.380 125.380 125.907 -0.527 25448 8273 1 16 . 1 1 60 60 VAL HA H 60 4.338 4.338 3.906 0.432 25448 8274 1 16 . 1 1 60 60 VAL CA C 60 62.784 62.784 63.236 -0.452 25448 8275 1 16 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.201 -0.445 25448 8276 1 16 . 1 1 60 60 VAL H H 60 8.531 8.531 8.901 -0.370 25448 8277 1 16 . 1 1 61 61 LYS N N 61 129.548 129.548 127.140 2.408 25448 8278 1 16 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.709 0.191 25448 8279 1 16 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.149 1.435 25448 8280 1 16 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.170 0.864 25448 8281 1 16 . 1 1 61 61 LYS H H 61 9.068 9.068 8.660 0.408 25448 8282 1 16 . 1 1 62 62 ARG N N 62 123.653 123.653 123.947 -0.294 25448 8283 1 16 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.044 0.658 25448 8284 1 16 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.800 -1.414 25448 8285 1 16 . 1 1 62 62 ARG CB C 62 31.958 31.958 31.514 0.444 25448 8286 1 16 . 1 1 62 62 ARG H H 62 8.749 8.749 8.610 0.139 25448 8287 1 16 . 1 1 63 63 GLU N N 63 125.033 125.033 127.039 -2.006 25448 8288 1 16 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.744 0.254 25448 8289 1 16 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.810 0.068 25448 8290 1 16 . 1 1 63 63 GLU CB C 63 36.983 36.983 33.523 3.460 25448 8291 1 16 . 1 1 63 63 GLU H H 63 8.973 8.973 9.272 -0.299 25448 8292 1 16 . 1 1 64 64 ARG N N 64 121.855 121.855 122.614 -0.759 25448 8293 1 16 . 1 1 64 64 ARG HA H 64 3.900 3.900 3.913 -0.013 25448 8294 1 16 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.724 0.176 25448 8295 1 16 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.184 -0.638 25448 8296 1 16 . 1 1 64 64 ARG H H 64 9.273 9.273 8.715 0.558 25448 8297 1 16 . 1 1 65 65 LEU N N 65 124.611 124.611 126.542 -1.931 25448 8298 1 16 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.852 -0.282 25448 8299 1 16 . 1 1 65 65 LEU CA C 65 59.010 59.010 59.060 -0.050 25448 8300 1 16 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.635 0.088 25448 8301 1 16 . 1 1 65 65 LEU H H 65 8.823 8.823 8.690 0.133 25448 8302 1 16 . 1 1 66 66 GLU N N 66 115.188 115.188 117.757 -2.569 25448 8303 1 16 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.751 0.084 25448 8304 1 16 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.431 0.223 25448 8305 1 16 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.583 0.577 25448 8306 1 16 . 1 1 66 66 GLU H H 66 9.360 9.360 8.718 0.642 25448 8307 1 16 . 1 1 67 67 ASP N N 67 118.590 118.590 118.238 0.352 25448 8308 1 16 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.363 0.097 25448 8309 1 16 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.653 -0.086 25448 8310 1 16 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.691 -0.021 25448 8311 1 16 . 1 1 67 67 ASP H H 67 6.806 6.806 8.030 -1.224 25448 8312 1 16 . 1 1 68 68 VAL N N 68 119.985 119.985 118.846 1.139 25448 8313 1 16 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.634 -0.018 25448 8314 1 16 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.088 -0.018 25448 8315 1 16 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.769 0.398 25448 8316 1 16 . 1 1 68 68 VAL H H 68 7.414 7.414 7.768 -0.354 25448 8317 1 16 . 1 1 69 69 VAL N N 69 116.972 116.972 113.124 3.848 25448 8318 1 16 . 1 1 69 69 VAL HA H 69 3.502 3.502 4.039 -0.537 25448 8319 1 16 . 1 1 69 69 VAL CA C 69 65.337 65.337 62.112 3.225 25448 8320 1 16 . 1 1 69 69 VAL CB C 69 32.036 32.036 30.993 1.043 25448 8321 1 16 . 1 1 69 69 VAL H H 69 8.261 8.261 8.065 0.196 25448 8322 1 16 . 1 1 70 70 GLY N N 70 107.311 107.311 109.278 -1.967 25448 8323 1 16 . 1 1 70 70 GLY CA C 70 47.610 47.610 45.615 1.995 25448 8324 1 16 . 1 1 70 70 GLY H H 70 7.395 7.395 7.501 -0.106 25448 8325 1 16 . 1 1 71 71 GLY N N 71 110.582 110.582 114.241 -3.659 25448 8326 1 16 . 1 1 71 71 GLY CA C 71 45.176 45.176 45.320 -0.144 25448 8327 1 16 . 1 1 71 71 GLY H H 71 8.831 8.831 8.705 0.126 25448 8328 1 16 . 1 1 72 72 CYS N N 72 118.742 118.742 117.029 1.713 25448 8329 1 16 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.799 -0.301 25448 8330 1 16 . 1 1 72 72 CYS CA C 72 60.154 60.154 57.986 2.168 25448 8331 1 16 . 1 1 72 72 CYS CB C 72 29.295 29.295 30.601 -1.306 25448 8332 1 16 . 1 1 72 72 CYS H H 72 7.613 7.613 7.720 -0.107 25448 8333 1 16 . 1 1 73 73 CYS N N 73 120.205 120.205 120.892 -0.687 25448 8334 1 16 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.772 -0.241 25448 8335 1 16 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.371 0.421 25448 8336 1 16 . 1 1 73 73 CYS CB C 73 28.046 28.046 29.524 -1.478 25448 8337 1 16 . 1 1 73 73 CYS H H 73 9.007 9.007 9.104 -0.097 25448 8338 1 16 . 1 1 74 74 TYR N N 74 119.008 119.008 122.270 -3.262 25448 8339 1 16 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.531 0.066 25448 8340 1 16 . 1 1 74 74 TYR CA C 74 55.590 55.590 55.971 -0.381 25448 8341 1 16 . 1 1 74 74 TYR CB C 74 41.876 41.876 41.747 0.129 25448 8342 1 16 . 1 1 74 74 TYR H H 74 8.141 8.141 8.481 -0.340 25448 8343 1 16 . 1 1 75 75 ARG N N 75 115.457 115.457 118.374 -2.917 25448 8344 1 16 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.687 -0.048 25448 8345 1 16 . 1 1 75 75 ARG CA C 75 53.995 53.995 53.492 0.503 25448 8346 1 16 . 1 1 75 75 ARG CB C 75 33.235 33.235 35.450 -2.215 25448 8347 1 16 . 1 1 75 75 ARG H H 75 9.008 9.008 8.791 0.217 25448 8348 1 16 . 1 1 76 76 VAL N N 76 123.071 123.071 120.975 2.096 25448 8349 1 16 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.497 0.066 25448 8350 1 16 . 1 1 76 76 VAL CA C 76 62.968 62.968 62.376 0.592 25448 8351 1 16 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.297 -0.332 25448 8352 1 16 . 1 1 76 76 VAL H H 76 8.511 8.511 9.254 -0.743 25448 8353 1 16 . 1 1 77 77 ASN N N 77 126.125 126.125 126.902 -0.777 25448 8354 1 16 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.875 -0.020 25448 8355 1 16 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.594 -0.522 25448 8356 1 16 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.001 -0.361 25448 8357 1 16 . 1 1 77 77 ASN H H 77 8.824 8.824 9.190 -0.366 25448 8358 1 16 . 1 1 78 78 ASN N N 78 124.269 124.269 123.508 0.761 25448 8359 1 16 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.807 0.539 25448 8360 1 16 . 1 1 78 78 ASN CA C 78 52.124 52.124 53.118 -0.994 25448 8361 1 16 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.973 -0.025 25448 8362 1 16 . 1 1 78 78 ASN H H 78 8.685 8.685 8.837 -0.152 25448 8363 1 16 . 1 1 79 79 SER N N 79 117.959 117.959 117.065 0.894 25448 8364 1 16 . 1 1 79 79 SER HA H 79 4.112 4.112 4.258 -0.146 25448 8365 1 16 . 1 1 79 79 SER CA C 79 62.669 62.669 61.175 1.494 25448 8366 1 16 . 1 1 79 79 SER CB C 79 63.727 63.727 63.514 0.213 25448 8367 1 16 . 1 1 79 79 SER H H 79 8.109 8.109 8.147 -0.038 25448 8368 1 16 . 1 1 80 80 LEU N N 80 121.272 121.272 121.168 0.104 25448 8369 1 16 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.258 0.212 25448 8370 1 16 . 1 1 80 80 LEU CA C 80 55.542 55.542 55.538 0.004 25448 8371 1 16 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.306 0.194 25448 8372 1 16 . 1 1 80 80 LEU H H 80 7.947 7.947 8.063 -0.116 25448 8373 1 16 . 1 1 81 81 ASP N N 81 121.692 121.692 120.084 1.608 25448 8374 1 16 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.448 0.642 25448 8375 1 16 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.829 -0.225 25448 8376 1 16 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.074 -0.774 25448 8377 1 16 . 1 1 81 81 ASP H H 81 8.294 8.294 7.749 0.545 25448 8378 1 16 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.516 -0.061 25448 8379 1 16 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.985 -0.085 25448 8380 1 16 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.562 -0.796 25448 8381 1 16 . 1 1 83 83 GLU N N 83 118.940 118.940 118.102 0.838 25448 8382 1 16 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.058 0.095 25448 8383 1 16 . 1 1 83 83 GLU CA C 83 56.870 56.870 56.898 -0.028 25448 8384 1 16 . 1 1 83 83 GLU CB C 83 32.422 32.422 31.134 1.288 25448 8385 1 16 . 1 1 83 83 GLU H H 83 7.476 7.476 7.805 -0.329 25448 8386 1 16 . 1 1 84 84 TYR N N 84 119.225 119.225 118.350 0.875 25448 8387 1 16 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.820 -0.054 25448 8388 1 16 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.299 -1.376 25448 8389 1 16 . 1 1 84 84 TYR CB C 84 41.224 41.224 40.111 1.113 25448 8390 1 16 . 1 1 84 84 TYR H H 84 8.207 8.207 8.067 0.140 25448 8391 1 16 . 1 1 85 85 GLN N N 85 119.667 119.667 120.133 -0.466 25448 8392 1 16 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.451 0.347 25448 8393 1 16 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.605 -1.402 25448 8394 1 16 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.379 0.987 25448 8395 1 16 . 1 1 85 85 GLN H H 85 8.264 8.264 8.595 -0.331 25448 8396 1 16 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.433 -0.011 25448 8397 1 16 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.326 -0.715 25448 8398 1 16 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.095 -0.245 25448 8399 1 16 . 1 1 87 87 ARG N N 87 121.150 121.150 123.989 -2.839 25448 8400 1 16 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.770 -0.365 25448 8401 1 16 . 1 1 87 87 ARG CA C 87 55.600 55.600 52.838 2.762 25448 8402 1 16 . 1 1 87 87 ARG CB C 87 29.301 29.301 29.967 -0.666 25448 8403 1 16 . 1 1 87 87 ARG H H 87 8.254 8.254 8.431 -0.177 25448 8404 1 16 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.518 -0.071 25448 8405 1 16 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.660 0.320 25448 8406 1 16 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.089 0.181 25448 8407 1 16 . 1 1 89 89 VAL N N 89 125.682 125.682 126.836 -1.154 25448 8408 1 16 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.633 -0.132 25448 8409 1 16 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.472 1.939 25448 8410 1 16 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.264 -0.629 25448 8411 1 16 . 1 1 89 89 VAL H H 89 8.678 8.678 8.589 0.089 25448 8412 1 16 . 1 1 90 90 GLU N N 90 117.092 117.092 118.622 -1.530 25448 8413 1 16 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.077 -0.050 25448 8414 1 16 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.425 0.590 25448 8415 1 16 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.797 -0.164 25448 8416 1 16 . 1 1 90 90 GLU H H 90 9.318 9.318 8.892 0.426 25448 8417 1 16 . 1 1 91 91 VAL N N 91 119.967 119.967 120.195 -0.228 25448 8418 1 16 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.721 0.143 25448 8419 1 16 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.746 -0.746 25448 8420 1 16 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.673 0.228 25448 8421 1 16 . 1 1 91 91 VAL H H 91 7.153 7.153 7.756 -0.603 25448 8422 1 16 . 1 1 92 92 ILE N N 92 122.669 122.669 121.543 1.126 25448 8423 1 16 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.888 -0.578 25448 8424 1 16 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.427 1.284 25448 8425 1 16 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.952 0.611 25448 8426 1 16 . 1 1 92 92 ILE H H 92 8.004 8.004 7.298 0.706 25448 8427 1 16 . 1 1 93 93 ILE N N 93 115.049 115.049 119.675 -4.626 25448 8428 1 16 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.575 -0.043 25448 8429 1 16 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.763 -0.678 25448 8430 1 16 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.611 -0.448 25448 8431 1 16 . 1 1 93 93 ILE H H 93 8.305 8.305 8.309 -0.004 25448 8432 1 16 . 1 1 94 94 SER N N 94 115.196 115.196 115.872 -0.676 25448 8433 1 16 . 1 1 94 94 SER HA H 94 4.101 4.101 4.007 0.094 25448 8434 1 16 . 1 1 94 94 SER CA C 94 62.300 62.300 61.785 0.515 25448 8435 1 16 . 1 1 94 94 SER H H 94 7.927 7.927 8.509 -0.583 25448 8436 1 16 . 1 1 95 95 SER N N 95 117.891 117.891 117.829 0.062 25448 8437 1 16 . 1 1 95 95 SER HA H 95 4.209 4.209 4.037 0.172 25448 8438 1 16 . 1 1 95 95 SER CA C 95 62.100 62.100 61.403 0.697 25448 8439 1 16 . 1 1 95 95 SER CB C 95 62.714 62.714 63.008 -0.294 25448 8440 1 16 . 1 1 95 95 SER H H 95 8.174 8.174 8.186 -0.012 25448 8441 1 16 . 1 1 96 96 ALA N N 96 123.830 123.830 124.189 -0.359 25448 8442 1 16 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.086 -0.195 25448 8443 1 16 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.452 -0.175 25448 8444 1 16 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.278 1.670 25448 8445 1 16 . 1 1 96 96 ALA H H 96 8.110 8.110 8.254 -0.144 25448 8446 1 16 . 1 1 97 97 LYS N N 97 115.893 115.893 117.468 -1.575 25448 8447 1 16 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.981 -0.173 25448 8448 1 16 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.506 0.843 25448 8449 1 16 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.401 0.297 25448 8450 1 16 . 1 1 97 97 LYS H H 97 8.218 8.218 8.188 0.030 25448 8451 1 16 . 1 1 98 98 GLU N N 98 117.006 117.006 116.748 0.258 25448 8452 1 16 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.122 0.018 25448 8453 1 16 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.015 0.207 25448 8454 1 16 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.762 0.014 25448 8455 1 16 . 1 1 98 98 GLU H H 98 7.474 7.474 8.089 -0.615 25448 8456 1 16 . 1 1 99 99 MET N N 99 114.572 114.572 117.180 -2.608 25448 8457 1 16 . 1 1 99 99 MET HA H 99 4.533 4.533 4.381 0.152 25448 8458 1 16 . 1 1 99 99 MET CA C 99 55.292 55.292 55.781 -0.489 25448 8459 1 16 . 1 1 99 99 MET CB C 99 33.777 33.777 33.385 0.392 25448 8460 1 16 . 1 1 99 99 MET H H 99 7.378 7.378 8.149 -0.771 25448 8461 1 16 . 1 1 100 100 VAL N N 100 119.104 119.104 118.392 0.712 25448 8462 1 16 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.604 -0.338 25448 8463 1 16 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.007 1.040 25448 8464 1 16 . 1 1 100 100 VAL CB C 100 31.325 31.325 30.941 0.384 25448 8465 1 16 . 1 1 100 100 VAL H H 100 7.056 7.056 8.116 -1.060 25448 8466 1 16 . 1 1 101 101 GLY N N 101 116.779 116.779 114.659 2.120 25448 8467 1 16 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.821 -0.170 25448 8468 1 16 . 1 1 101 101 GLY H H 101 8.979 8.979 8.876 0.103 25448 8469 1 16 . 1 1 102 102 GLN N N 102 119.990 119.990 120.578 -0.588 25448 8470 1 16 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.382 -0.185 25448 8471 1 16 . 1 1 102 102 GLN C C 102 174.994 174.994 175.429 -0.435 25448 8472 1 16 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.297 1.367 25448 8473 1 16 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.089 -1.153 25448 8474 1 16 . 1 1 102 102 GLN H H 102 8.103 8.103 7.972 0.131 25448 8475 1 16 . 1 1 103 103 LYS N N 103 120.261 120.261 122.950 -2.689 25448 8476 1 16 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.114 0.152 25448 8477 1 16 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.681 -1.039 25448 8478 1 16 . 1 1 103 103 LYS CB C 103 34.196 34.196 34.497 -0.301 25448 8479 1 16 . 1 1 103 103 LYS H H 103 8.310 8.310 8.438 -0.128 25448 8480 1 16 . 1 1 104 104 MET N N 104 119.868 119.868 119.837 0.031 25448 8481 1 16 . 1 1 104 104 MET HA H 104 4.692 4.692 4.824 -0.132 25448 8482 1 16 . 1 1 104 104 MET CA C 104 54.276 54.276 54.502 -0.226 25448 8483 1 16 . 1 1 104 104 MET CB C 104 36.831 36.831 37.786 -0.955 25448 8484 1 16 . 1 1 104 104 MET H H 104 8.556 8.556 8.888 -0.332 25448 8485 1 16 . 1 1 105 105 LYS N N 105 120.932 120.932 119.743 1.189 25448 8486 1 16 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.255 0.111 25448 8487 1 16 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.811 0.289 25448 8488 1 16 . 1 1 105 105 LYS CB C 105 32.890 32.890 33.319 -0.429 25448 8489 1 16 . 1 1 105 105 LYS H H 105 8.257 8.257 8.328 -0.071 25448 8490 1 16 . 1 1 106 106 TYR N N 106 122.600 122.600 117.133 5.467 25448 8491 1 16 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.750 -0.332 25448 8492 1 16 . 1 1 106 106 TYR CA C 106 56.726 56.726 57.253 -0.527 25448 8493 1 16 . 1 1 106 106 TYR CB C 106 38.561 38.561 41.191 -2.630 25448 8494 1 16 . 1 1 106 106 TYR H H 106 8.378 8.378 8.101 0.277 25448 8495 1 16 . 1 1 107 107 SER N N 107 116.904 116.904 117.030 -0.126 25448 8496 1 16 . 1 1 107 107 SER CA C 107 56.717 56.717 60.484 -3.767 25448 8497 1 16 . 1 1 107 107 SER CB C 107 63.983 63.983 62.120 1.863 25448 8498 1 16 . 1 1 107 107 SER H H 107 8.044 8.044 7.591 0.453 25448 8499 1 16 . 1 1 109 109 VAL HA H 109 4.013 4.013 4.221 -0.208 25448 8500 1 16 . 1 1 109 109 VAL CA C 109 64.307 64.307 61.960 2.347 25448 8501 1 16 . 1 1 109 109 VAL CB C 109 32.000 32.000 34.414 -2.414 25448 8502 1 16 . 1 1 111 111 ARG HA H 111 4.372 4.372 3.692 0.680 25448 8503 1 16 . 1 1 111 111 ARG CA C 111 57.100 57.100 57.324 -0.224 25448 8504 1 16 . 1 1 111 111 ARG CB C 111 28.110 28.110 30.263 -2.153 25448 8505 1 16 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.250 0.238 25448 8506 1 16 . 1 1 113 113 CYS CA C 113 61.609 61.609 64.290 -2.681 25448 8507 1 16 . 1 1 113 113 CYS CB C 113 26.800 26.800 28.048 -1.248 25448 8508 1 16 . 1 1 114 114 GLU N N 114 125.287 125.287 120.782 4.505 25448 8509 1 16 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.239 0.200 25448 8510 1 16 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.152 -0.483 25448 8511 1 16 . 1 1 114 114 GLU CB C 114 30.058 30.058 28.589 1.469 25448 8512 1 16 . 1 1 114 114 GLU H H 114 7.720 7.720 8.041 -0.321 25448 8513 1 16 . 1 1 115 115 HIS N N 115 119.008 119.008 119.966 -0.958 25448 8514 1 16 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.232 0.165 25448 8515 1 16 . 1 1 115 115 HIS CA C 115 58.460 58.460 58.856 -0.396 25448 8516 1 16 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.570 0.491 25448 8517 1 16 . 1 1 115 115 HIS H H 115 8.051 8.051 8.316 -0.265 25448 8518 1 16 . 1 1 116 116 PHE N N 116 117.059 117.059 120.829 -3.770 25448 8519 1 16 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.047 0.301 25448 8520 1 16 . 1 1 116 116 PHE CA C 116 61.077 61.077 60.566 0.511 25448 8521 1 16 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.909 0.689 25448 8522 1 16 . 1 1 116 116 PHE H H 116 8.168 8.168 8.298 -0.130 25448 8523 1 16 . 1 1 117 117 VAL N N 117 107.857 107.857 114.774 -6.917 25448 8524 1 16 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.061 0.804 25448 8525 1 16 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.017 -0.426 25448 8526 1 16 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.438 -0.865 25448 8527 1 16 . 1 1 117 117 VAL H H 117 7.080 7.080 7.431 -0.351 25448 8528 1 16 . 1 1 118 118 THR N N 118 117.382 117.382 113.601 3.781 25448 8529 1 16 . 1 1 118 118 THR HA H 118 4.046 4.046 3.848 0.198 25448 8530 1 16 . 1 1 118 118 THR CA C 118 66.745 66.745 65.778 0.967 25448 8531 1 16 . 1 1 118 118 THR CB C 118 68.185 68.185 68.504 -0.319 25448 8532 1 16 . 1 1 118 118 THR H H 118 8.465 8.465 7.971 0.494 25448 8533 1 16 . 1 1 119 119 GLN N N 119 121.900 121.900 120.560 1.340 25448 8534 1 16 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.070 -0.185 25448 8535 1 16 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.416 0.586 25448 8536 1 16 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.269 -0.658 25448 8537 1 16 . 1 1 119 119 GLN H H 119 8.074 8.074 7.554 0.520 25448 8538 1 16 . 1 1 120 120 LEU N N 120 117.899 117.899 118.510 -0.611 25448 8539 1 16 . 1 1 120 120 LEU HA H 120 3.835 3.835 4.017 -0.182 25448 8540 1 16 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.190 0.237 25448 8541 1 16 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.441 0.792 25448 8542 1 16 . 1 1 120 120 LEU H H 120 6.829 6.829 7.253 -0.424 25448 8543 1 16 . 1 1 121 121 ARG N N 121 117.250 117.250 118.868 -1.618 25448 8544 1 16 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.050 -0.130 25448 8545 1 16 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.529 0.514 25448 8546 1 16 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.489 -0.233 25448 8547 1 16 . 1 1 121 121 ARG H H 121 7.677 7.677 7.483 0.194 25448 8548 1 16 . 1 1 122 122 TYR N N 122 111.508 111.508 118.155 -6.647 25448 8549 1 16 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.053 0.587 25448 8550 1 16 . 1 1 122 122 TYR CA C 122 58.522 58.522 59.721 -1.199 25448 8551 1 16 . 1 1 122 122 TYR CB C 122 39.674 39.674 39.014 0.660 25448 8552 1 16 . 1 1 122 122 TYR H H 122 8.114 8.114 8.103 0.011 25448 8553 1 16 . 1 1 123 123 GLY N N 123 109.399 109.399 105.651 3.748 25448 8554 1 16 . 1 1 123 123 GLY CA C 123 45.341 45.341 45.290 0.051 25448 8555 1 16 . 1 1 123 123 GLY H H 123 8.032 8.032 8.116 -0.084 25448 8556 1 16 . 1 1 124 124 LYS N N 124 117.936 117.936 118.203 -0.267 25448 8557 1 16 . 1 1 124 124 LYS HA H 124 4.352 4.352 3.781 0.571 25448 8558 1 16 . 1 1 124 124 LYS CA C 124 55.200 55.200 57.163 -1.963 25448 8559 1 16 . 1 1 124 124 LYS CB C 124 33.998 33.998 30.204 3.794 25448 8560 1 16 . 1 1 124 124 LYS H H 124 7.402 7.402 7.545 -0.143 25448 8561 1 17 . 1 1 3 3 SER N N 3 113.812 113.812 117.421 -3.609 25448 8562 1 17 . 1 1 3 3 SER HA H 3 4.697 4.697 4.577 0.120 25448 8563 1 17 . 1 1 3 3 SER CA C 3 58.996 58.996 57.122 1.874 25448 8564 1 17 . 1 1 3 3 SER CB C 3 63.800 63.800 63.323 0.477 25448 8565 1 17 . 1 1 3 3 SER H H 3 7.587 7.587 8.321 -0.734 25448 8566 1 17 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.515 -0.102 25448 8567 1 17 . 1 1 4 4 PRO CA C 4 63.354 63.354 62.552 0.802 25448 8568 1 17 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.520 -0.620 25448 8569 1 17 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.421 0.136 25448 8570 1 17 . 1 1 5 5 HIS CA C 5 56.230 56.230 57.487 -1.257 25448 8571 1 17 . 1 1 5 5 HIS CB C 5 30.500 30.500 30.583 -0.083 25448 8572 1 17 . 1 1 5 5 HIS H H 5 6.984 6.984 8.517 -1.533 25448 8573 1 17 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.466 -0.178 25448 8574 1 17 . 1 1 6 6 GLN CA C 6 55.174 55.174 54.922 0.252 25448 8575 1 17 . 1 1 6 6 GLN CB C 6 30.042 30.042 30.138 -0.096 25448 8576 1 17 . 1 1 7 7 GLU N N 7 124.477 124.477 123.464 1.013 25448 8577 1 17 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.686 -0.197 25448 8578 1 17 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.423 0.688 25448 8579 1 17 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.024 -1.112 25448 8580 1 17 . 1 1 7 7 GLU H H 7 8.353 8.353 8.465 -0.112 25448 8581 1 17 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.607 -0.263 25448 8582 1 17 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.214 0.184 25448 8583 1 17 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.906 -1.506 25448 8584 1 17 . 1 1 9 9 LYS N N 9 122.328 122.328 119.043 3.285 25448 8585 1 17 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.966 -0.093 25448 8586 1 17 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.956 0.195 25448 8587 1 17 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.696 -1.557 25448 8588 1 17 . 1 1 9 9 LYS H H 9 9.336 9.336 9.003 0.333 25448 8589 1 17 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.341 -0.418 25448 8590 1 17 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.285 0.249 25448 8591 1 17 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.601 0.028 25448 8592 1 17 . 1 1 11 11 GLY N N 11 112.758 112.758 114.365 -1.607 25448 8593 1 17 . 1 1 11 11 GLY CA C 11 45.182 45.182 45.081 0.101 25448 8594 1 17 . 1 1 11 11 GLY H H 11 9.359 9.359 9.185 0.173 25448 8595 1 17 . 1 1 12 12 ASP N N 12 120.500 120.500 123.577 -3.077 25448 8596 1 17 . 1 1 12 12 ASP HA H 12 4.870 4.870 5.002 -0.132 25448 8597 1 17 . 1 1 12 12 ASP CA C 12 55.211 55.211 55.155 0.056 25448 8598 1 17 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.428 1.518 25448 8599 1 17 . 1 1 12 12 ASP H H 12 8.277 8.277 7.920 0.357 25448 8600 1 17 . 1 1 13 13 LEU N N 13 119.594 119.594 123.876 -4.282 25448 8601 1 17 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.776 0.201 25448 8602 1 17 . 1 1 13 13 LEU CA C 13 53.989 53.989 55.039 -1.050 25448 8603 1 17 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.492 -1.294 25448 8604 1 17 . 1 1 13 13 LEU H H 13 9.103 9.103 9.355 -0.252 25448 8605 1 17 . 1 1 14 14 ILE N N 14 121.352 121.352 124.419 -3.067 25448 8606 1 17 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.921 -0.311 25448 8607 1 17 . 1 1 14 14 ILE CA C 14 58.178 58.178 58.460 -0.282 25448 8608 1 17 . 1 1 14 14 ILE CB C 14 39.213 39.213 38.144 1.069 25448 8609 1 17 . 1 1 14 14 ILE H H 14 9.221 9.221 9.400 -0.179 25448 8610 1 17 . 1 1 15 15 GLU N N 15 129.555 129.555 128.171 1.384 25448 8611 1 17 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.777 -1.559 25448 8612 1 17 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.469 -0.021 25448 8613 1 17 . 1 1 15 15 GLU CB C 15 31.783 31.783 32.812 -1.029 25448 8614 1 17 . 1 1 15 15 GLU H H 15 8.625 8.625 9.217 -0.592 25448 8615 1 17 . 1 1 16 16 ILE N N 16 125.258 125.258 124.187 1.071 25448 8616 1 17 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.764 -0.655 25448 8617 1 17 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.609 0.890 25448 8618 1 17 . 1 1 16 16 ILE CB C 16 40.401 40.401 41.794 -1.393 25448 8619 1 17 . 1 1 16 16 ILE H H 16 8.557 8.557 8.612 -0.055 25448 8620 1 17 . 1 1 17 17 PHE N N 17 127.058 127.058 124.643 2.415 25448 8621 1 17 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.932 -0.430 25448 8622 1 17 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.551 2.388 25448 8623 1 17 . 1 1 17 17 PHE CB C 17 37.496 37.496 40.610 -3.114 25448 8624 1 17 . 1 1 17 17 PHE H H 17 8.500 8.500 9.301 -0.801 25448 8625 1 17 . 1 1 18 18 ARG N N 18 124.569 124.569 123.571 0.998 25448 8626 1 17 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.640 0.010 25448 8627 1 17 . 1 1 18 18 ARG CA C 18 54.596 54.596 54.486 0.110 25448 8628 1 17 . 1 1 18 18 ARG CB C 18 30.206 30.206 33.061 -2.855 25448 8629 1 17 . 1 1 18 18 ARG H H 18 7.686 7.686 8.782 -1.096 25448 8630 1 17 . 1 1 19 19 LEU N N 19 121.049 121.049 123.522 -2.473 25448 8631 1 17 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.125 0.299 25448 8632 1 17 . 1 1 19 19 LEU CA C 19 56.123 56.123 56.956 -0.834 25448 8633 1 17 . 1 1 19 19 LEU CB C 19 40.296 40.296 40.647 -0.351 25448 8634 1 17 . 1 1 19 19 LEU H H 19 8.103 8.103 8.757 -0.654 25448 8635 1 17 . 1 1 20 20 GLY N N 20 115.623 115.623 112.683 2.940 25448 8636 1 17 . 1 1 20 20 GLY CA C 20 45.736 45.736 44.864 0.873 25448 8637 1 17 . 1 1 20 20 GLY H H 20 8.686 8.686 8.799 -0.113 25448 8638 1 17 . 1 1 21 21 TYR N N 21 115.905 115.905 119.803 -3.898 25448 8639 1 17 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.683 0.077 25448 8640 1 17 . 1 1 21 21 TYR CA C 21 56.507 56.507 57.078 -0.571 25448 8641 1 17 . 1 1 21 21 TYR CB C 21 38.631 38.631 41.102 -2.471 25448 8642 1 17 . 1 1 21 21 TYR H H 21 7.433 7.433 7.775 -0.342 25448 8643 1 17 . 1 1 22 22 GLU N N 22 116.649 116.649 124.247 -7.598 25448 8644 1 17 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.671 0.489 25448 8645 1 17 . 1 1 22 22 GLU CA C 22 56.255 56.255 55.919 0.337 25448 8646 1 17 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.702 1.465 25448 8647 1 17 . 1 1 22 22 GLU H H 22 8.139 8.139 8.708 -0.569 25448 8648 1 17 . 1 1 23 23 HIS N N 23 122.171 122.171 119.515 2.656 25448 8649 1 17 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.722 0.866 25448 8650 1 17 . 1 1 23 23 HIS CA C 23 54.161 54.161 55.063 -0.902 25448 8651 1 17 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.235 1.135 25448 8652 1 17 . 1 1 23 23 HIS H H 23 8.943 8.943 8.205 0.738 25448 8653 1 17 . 1 1 24 24 TRP N N 24 124.412 124.412 118.894 5.518 25448 8654 1 17 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.613 0.084 25448 8655 1 17 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.533 -0.627 25448 8656 1 17 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.841 -1.685 25448 8657 1 17 . 1 1 24 24 TRP H H 24 6.764 6.764 8.283 -1.519 25448 8658 1 17 . 1 1 25 25 ALA N N 25 121.149 121.149 120.472 0.677 25448 8659 1 17 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.055 -0.194 25448 8660 1 17 . 1 1 25 25 ALA CA C 25 50.352 50.352 51.440 -1.088 25448 8661 1 17 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.228 -0.275 25448 8662 1 17 . 1 1 25 25 ALA H H 25 9.336 9.336 9.120 0.216 25448 8663 1 17 . 1 1 26 26 LEU N N 26 122.472 122.472 122.176 0.296 25448 8664 1 17 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.369 -0.109 25448 8665 1 17 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.813 0.828 25448 8666 1 17 . 1 1 26 26 LEU CB C 26 45.421 45.421 44.125 1.296 25448 8667 1 17 . 1 1 26 26 LEU H H 26 8.835 8.835 9.097 -0.262 25448 8668 1 17 . 1 1 27 27 TYR N N 27 128.215 128.215 128.905 -0.690 25448 8669 1 17 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.804 -0.052 25448 8670 1 17 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.278 1.524 25448 8671 1 17 . 1 1 27 27 TYR CB C 27 38.670 38.670 40.240 -1.570 25448 8672 1 17 . 1 1 27 27 TYR H H 27 9.750 9.750 9.327 0.423 25448 8673 1 17 . 1 1 28 28 ILE N N 28 119.796 119.796 121.675 -1.879 25448 8674 1 17 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.525 0.048 25448 8675 1 17 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.201 0.617 25448 8676 1 17 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.332 -0.432 25448 8677 1 17 . 1 1 28 28 ILE H H 28 8.196 8.196 7.995 0.201 25448 8678 1 17 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.332 -0.332 25448 8679 1 17 . 1 1 29 29 GLY H H 29 6.584 6.584 6.582 0.002 25448 8680 1 17 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.267 0.155 25448 8681 1 17 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.338 0.302 25448 8682 1 17 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.588 -0.335 25448 8683 1 17 . 1 1 30 30 ASP H H 30 6.837 6.837 8.946 -2.109 25448 8684 1 17 . 1 1 31 31 GLY N N 31 124.953 124.953 102.786 22.167 25448 8685 1 17 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.025 0.513 25448 8686 1 17 . 1 1 31 31 GLY H H 31 8.120 8.120 7.684 0.436 25448 8687 1 17 . 1 1 32 32 TYR N N 32 120.196 120.196 121.218 -1.022 25448 8688 1 17 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.045 -0.115 25448 8689 1 17 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.648 0.140 25448 8690 1 17 . 1 1 32 32 TYR CB C 32 41.995 41.995 39.935 2.060 25448 8691 1 17 . 1 1 32 32 TYR H H 32 7.843 7.843 7.730 0.113 25448 8692 1 17 . 1 1 33 33 VAL N N 33 109.892 109.892 115.114 -5.222 25448 8693 1 17 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.211 0.255 25448 8694 1 17 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.587 -2.127 25448 8695 1 17 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.737 -0.580 25448 8696 1 17 . 1 1 33 33 VAL H H 33 9.242 9.242 9.429 -0.187 25448 8697 1 17 . 1 1 34 34 ILE N N 34 119.424 119.424 122.476 -3.052 25448 8698 1 17 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.249 0.306 25448 8699 1 17 . 1 1 34 34 ILE CA C 34 60.331 60.331 60.044 0.287 25448 8700 1 17 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.406 0.526 25448 8701 1 17 . 1 1 34 34 ILE H H 34 9.084 9.084 9.143 -0.059 25448 8702 1 17 . 1 1 35 35 HIS N N 35 123.118 123.118 121.027 2.091 25448 8703 1 17 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.377 -0.219 25448 8704 1 17 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.678 -0.460 25448 8705 1 17 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.534 2.466 25448 8706 1 17 . 1 1 35 35 HIS H H 35 9.110 9.110 9.158 -0.048 25448 8707 1 17 . 1 1 36 36 LEU N N 36 123.704 123.704 121.899 1.805 25448 8708 1 17 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.431 -0.347 25448 8709 1 17 . 1 1 36 36 LEU CA C 36 53.682 53.682 54.042 -0.360 25448 8710 1 17 . 1 1 36 36 LEU CB C 36 41.631 41.631 44.471 -2.840 25448 8711 1 17 . 1 1 36 36 LEU H H 36 8.991 8.991 8.862 0.129 25448 8712 1 17 . 1 1 37 37 ALA N N 37 129.765 129.765 128.724 1.041 25448 8713 1 17 . 1 1 37 37 ALA HA H 37 4.327 4.327 5.045 -0.718 25448 8714 1 17 . 1 1 37 37 ALA CA C 37 49.698 49.698 48.968 0.730 25448 8715 1 17 . 1 1 37 37 ALA CB C 37 19.428 19.428 19.441 -0.013 25448 8716 1 17 . 1 1 37 37 ALA H H 37 8.050 8.050 8.810 -0.760 25448 8717 1 17 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.638 -0.634 25448 8718 1 17 . 1 1 38 38 PRO CA C 38 60.800 60.800 62.149 -1.349 25448 8719 1 17 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.540 -1.012 25448 8720 1 17 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.663 -0.289 25448 8721 1 17 . 1 1 39 39 PRO CA C 39 62.900 62.900 61.757 1.143 25448 8722 1 17 . 1 1 39 39 PRO CB C 39 32.000 32.000 33.322 -1.323 25448 8723 1 17 . 1 1 40 40 SER N N 40 114.906 114.906 114.559 0.347 25448 8724 1 17 . 1 1 40 40 SER HA H 40 4.326 4.326 4.530 -0.204 25448 8725 1 17 . 1 1 40 40 SER CA C 40 58.700 58.700 57.694 1.006 25448 8726 1 17 . 1 1 40 40 SER CB C 40 64.004 64.004 64.175 -0.171 25448 8727 1 17 . 1 1 40 40 SER H H 40 8.184 8.184 8.454 -0.270 25448 8728 1 17 . 1 1 41 41 GLU N N 41 121.221 121.221 120.845 0.376 25448 8729 1 17 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.074 0.187 25448 8730 1 17 . 1 1 41 41 GLU CA C 41 56.424 56.424 56.523 -0.099 25448 8731 1 17 . 1 1 41 41 GLU CB C 41 30.514 30.514 30.480 0.035 25448 8732 1 17 . 1 1 41 41 GLU H H 41 8.401 8.401 8.419 -0.018 25448 8733 1 17 . 1 1 42 42 TYR N N 42 121.900 121.900 121.548 0.352 25448 8734 1 17 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.096 0.684 25448 8735 1 17 . 1 1 42 42 TYR CA C 42 55.700 55.700 58.439 -2.739 25448 8736 1 17 . 1 1 42 42 TYR CB C 42 38.400 38.400 37.536 0.864 25448 8737 1 17 . 1 1 42 42 TYR H H 42 8.117 8.117 8.244 -0.127 25448 8738 1 17 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.427 -0.024 25448 8739 1 17 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.270 1.210 25448 8740 1 17 . 1 1 43 43 PRO CB C 43 31.800 31.800 33.593 -1.794 25448 8741 1 17 . 1 1 44 44 GLY N N 44 109.030 109.030 106.095 2.935 25448 8742 1 17 . 1 1 44 44 GLY CA C 44 45.244 45.244 43.642 1.601 25448 8743 1 17 . 1 1 44 44 GLY H H 44 8.001 8.001 7.771 0.230 25448 8744 1 17 . 1 1 45 45 ALA N N 45 123.500 123.500 121.125 2.375 25448 8745 1 17 . 1 1 45 45 ALA HA H 45 4.312 4.312 3.933 0.379 25448 8746 1 17 . 1 1 45 45 ALA CA C 45 52.853 52.853 52.831 0.022 25448 8747 1 17 . 1 1 45 45 ALA CB C 45 19.322 19.322 17.575 1.747 25448 8748 1 17 . 1 1 45 45 ALA H H 45 8.082 8.082 8.375 -0.293 25448 8749 1 17 . 1 1 46 46 GLY N N 46 108.151 108.151 105.259 2.892 25448 8750 1 17 . 1 1 46 46 GLY CA C 46 45.460 45.460 43.450 2.010 25448 8751 1 17 . 1 1 46 46 GLY H H 46 8.408 8.408 7.812 0.596 25448 8752 1 17 . 1 1 48 48 SER N N 48 116.904 116.904 112.665 4.239 25448 8753 1 17 . 1 1 48 48 SER HA H 48 4.700 4.700 4.711 -0.011 25448 8754 1 17 . 1 1 48 48 SER H H 48 8.044 8.044 8.404 -0.360 25448 8755 1 17 . 1 1 49 49 SER HA H 49 4.456 4.456 4.553 -0.097 25448 8756 1 17 . 1 1 49 49 SER CA C 49 58.713 58.713 57.878 0.835 25448 8757 1 17 . 1 1 49 49 SER CB C 49 64.000 64.000 65.809 -1.809 25448 8758 1 17 . 1 1 50 50 VAL N N 50 120.352 120.352 122.303 -1.951 25448 8759 1 17 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.630 0.403 25448 8760 1 17 . 1 1 50 50 VAL CA C 50 62.816 62.816 66.157 -3.341 25448 8761 1 17 . 1 1 50 50 VAL CB C 50 32.416 32.416 31.064 1.352 25448 8762 1 17 . 1 1 50 50 VAL H H 50 7.890 7.890 8.364 -0.474 25448 8763 1 17 . 1 1 51 51 PHE N N 51 121.600 121.600 117.360 4.240 25448 8764 1 17 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.754 -0.178 25448 8765 1 17 . 1 1 51 51 PHE CA C 51 58.198 58.198 58.513 -0.315 25448 8766 1 17 . 1 1 51 51 PHE CB C 51 39.470 39.470 38.548 0.922 25448 8767 1 17 . 1 1 51 51 PHE H H 51 7.989 7.989 7.778 0.211 25448 8768 1 17 . 1 1 52 52 SER N N 52 116.521 116.521 115.053 1.468 25448 8769 1 17 . 1 1 52 52 SER HA H 52 4.429 4.429 4.501 -0.072 25448 8770 1 17 . 1 1 52 52 SER C C 52 174.445 174.445 174.893 -0.448 25448 8771 1 17 . 1 1 52 52 SER CA C 52 58.365 58.365 58.611 -0.246 25448 8772 1 17 . 1 1 52 52 SER CB C 52 64.018 64.018 65.093 -1.075 25448 8773 1 17 . 1 1 52 52 SER H H 52 8.018 8.018 6.938 1.080 25448 8774 1 17 . 1 1 53 53 VAL N N 53 120.571 120.571 122.072 -1.501 25448 8775 1 17 . 1 1 53 53 VAL HA H 53 4.103 4.103 3.661 0.442 25448 8776 1 17 . 1 1 53 53 VAL CA C 53 62.979 62.979 63.084 -0.104 25448 8777 1 17 . 1 1 53 53 VAL CB C 53 32.416 32.416 30.145 2.271 25448 8778 1 17 . 1 1 53 53 VAL H H 53 7.959 7.959 8.016 -0.057 25448 8779 1 17 . 1 1 54 54 LEU N N 54 123.703 123.703 123.859 -0.156 25448 8780 1 17 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.379 -0.013 25448 8781 1 17 . 1 1 54 54 LEU CA C 54 55.500 55.500 54.439 1.061 25448 8782 1 17 . 1 1 54 54 LEU CB C 54 42.293 42.293 42.703 -0.410 25448 8783 1 17 . 1 1 54 54 LEU H H 54 8.095 8.095 8.004 0.091 25448 8784 1 17 . 1 1 55 55 SER N N 55 115.309 115.309 112.244 3.065 25448 8785 1 17 . 1 1 55 55 SER HA H 55 4.399 4.399 4.485 -0.086 25448 8786 1 17 . 1 1 55 55 SER CA C 55 58.365 58.365 57.409 0.956 25448 8787 1 17 . 1 1 55 55 SER CB C 55 64.110 64.110 64.666 -0.556 25448 8788 1 17 . 1 1 55 55 SER H H 55 8.063 8.063 8.311 -0.248 25448 8789 1 17 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.848 0.070 25448 8790 1 17 . 1 1 56 56 ASN CA C 56 53.151 53.151 52.511 0.640 25448 8791 1 17 . 1 1 56 56 ASN CB C 56 39.339 39.339 39.636 -0.297 25448 8792 1 17 . 1 1 57 57 SER N N 57 115.102 115.102 117.111 -2.009 25448 8793 1 17 . 1 1 57 57 SER HA H 57 4.694 4.694 4.498 0.196 25448 8794 1 17 . 1 1 57 57 SER CA C 57 58.307 58.307 59.199 -0.892 25448 8795 1 17 . 1 1 57 57 SER CB C 57 64.838 64.838 63.824 1.014 25448 8796 1 17 . 1 1 57 57 SER H H 57 8.065 8.065 7.384 0.681 25448 8797 1 17 . 1 1 58 58 ALA N N 58 125.610 125.610 129.095 -3.485 25448 8798 1 17 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.559 -0.065 25448 8799 1 17 . 1 1 58 58 ALA CA C 58 51.281 51.281 51.447 -0.166 25448 8800 1 17 . 1 1 58 58 ALA CB C 58 22.479 22.479 20.845 1.634 25448 8801 1 17 . 1 1 58 58 ALA H H 58 8.548 8.548 8.744 -0.196 25448 8802 1 17 . 1 1 59 59 GLU N N 59 120.190 120.190 121.885 -1.695 25448 8803 1 17 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.074 -0.041 25448 8804 1 17 . 1 1 59 59 GLU CA C 59 54.004 54.004 53.830 0.174 25448 8805 1 17 . 1 1 59 59 GLU CB C 59 34.292 34.292 33.527 0.765 25448 8806 1 17 . 1 1 59 59 GLU H H 59 8.116 8.116 8.208 -0.092 25448 8807 1 17 . 1 1 60 60 VAL N N 60 125.380 125.380 125.570 -0.190 25448 8808 1 17 . 1 1 60 60 VAL HA H 60 4.338 4.338 3.972 0.366 25448 8809 1 17 . 1 1 60 60 VAL CA C 60 62.784 62.784 62.631 0.153 25448 8810 1 17 . 1 1 60 60 VAL CB C 60 30.756 30.756 30.703 0.053 25448 8811 1 17 . 1 1 60 60 VAL H H 60 8.531 8.531 8.856 -0.325 25448 8812 1 17 . 1 1 61 61 LYS N N 61 129.548 129.548 126.182 3.366 25448 8813 1 17 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.638 0.262 25448 8814 1 17 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.446 1.138 25448 8815 1 17 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.120 0.914 25448 8816 1 17 . 1 1 61 61 LYS H H 61 9.068 9.068 8.712 0.356 25448 8817 1 17 . 1 1 62 62 ARG N N 62 123.653 123.653 123.127 0.526 25448 8818 1 17 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.126 0.576 25448 8819 1 17 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.356 -0.970 25448 8820 1 17 . 1 1 62 62 ARG CB C 62 31.958 31.958 31.559 0.399 25448 8821 1 17 . 1 1 62 62 ARG H H 62 8.749 8.749 8.571 0.178 25448 8822 1 17 . 1 1 63 63 GLU N N 63 125.033 125.033 124.835 0.198 25448 8823 1 17 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.865 0.133 25448 8824 1 17 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.482 0.396 25448 8825 1 17 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.237 2.746 25448 8826 1 17 . 1 1 63 63 GLU H H 63 8.973 8.973 9.277 -0.304 25448 8827 1 17 . 1 1 64 64 ARG N N 64 121.855 121.855 120.023 1.832 25448 8828 1 17 . 1 1 64 64 ARG HA H 64 3.900 3.900 4.484 -0.584 25448 8829 1 17 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.619 0.281 25448 8830 1 17 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.729 -1.183 25448 8831 1 17 . 1 1 64 64 ARG H H 64 9.273 9.273 8.775 0.498 25448 8832 1 17 . 1 1 65 65 LEU N N 65 124.611 124.611 126.291 -1.680 25448 8833 1 17 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.866 -0.296 25448 8834 1 17 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.846 0.164 25448 8835 1 17 . 1 1 65 65 LEU CB C 65 41.723 41.723 42.060 -0.338 25448 8836 1 17 . 1 1 65 65 LEU H H 65 8.823 8.823 8.982 -0.159 25448 8837 1 17 . 1 1 66 66 GLU N N 66 115.188 115.188 118.884 -3.696 25448 8838 1 17 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.794 0.041 25448 8839 1 17 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.730 -0.076 25448 8840 1 17 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.688 0.472 25448 8841 1 17 . 1 1 66 66 GLU H H 66 9.360 9.360 8.658 0.702 25448 8842 1 17 . 1 1 67 67 ASP N N 67 118.590 118.590 118.659 -0.069 25448 8843 1 17 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.389 0.071 25448 8844 1 17 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.892 -0.325 25448 8845 1 17 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.494 0.176 25448 8846 1 17 . 1 1 67 67 ASP H H 67 6.806 6.806 8.161 -1.355 25448 8847 1 17 . 1 1 68 68 VAL N N 68 119.985 119.985 119.484 0.501 25448 8848 1 17 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.656 -0.040 25448 8849 1 17 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.371 -0.301 25448 8850 1 17 . 1 1 68 68 VAL CB C 68 32.167 32.167 32.196 -0.029 25448 8851 1 17 . 1 1 68 68 VAL H H 68 7.414 7.414 7.837 -0.423 25448 8852 1 17 . 1 1 69 69 VAL N N 69 116.972 116.972 114.267 2.705 25448 8853 1 17 . 1 1 69 69 VAL HA H 69 3.502 3.502 4.064 -0.562 25448 8854 1 17 . 1 1 69 69 VAL CA C 69 65.337 65.337 61.763 3.574 25448 8855 1 17 . 1 1 69 69 VAL CB C 69 32.036 32.036 30.896 1.140 25448 8856 1 17 . 1 1 69 69 VAL H H 69 8.261 8.261 8.073 0.188 25448 8857 1 17 . 1 1 70 70 GLY N N 70 107.311 107.311 109.231 -1.920 25448 8858 1 17 . 1 1 70 70 GLY CA C 70 47.610 47.610 45.614 1.996 25448 8859 1 17 . 1 1 70 70 GLY H H 70 7.395 7.395 7.466 -0.071 25448 8860 1 17 . 1 1 71 71 GLY N N 71 110.582 110.582 114.043 -3.461 25448 8861 1 17 . 1 1 71 71 GLY CA C 71 45.176 45.176 45.372 -0.196 25448 8862 1 17 . 1 1 71 71 GLY H H 71 8.831 8.831 8.715 0.116 25448 8863 1 17 . 1 1 72 72 CYS N N 72 118.742 118.742 117.728 1.014 25448 8864 1 17 . 1 1 72 72 CYS HA H 72 4.498 4.498 5.027 -0.529 25448 8865 1 17 . 1 1 72 72 CYS CA C 72 60.154 60.154 58.324 1.830 25448 8866 1 17 . 1 1 72 72 CYS CB C 72 29.295 29.295 30.926 -1.631 25448 8867 1 17 . 1 1 72 72 CYS H H 72 7.613 7.613 7.786 -0.173 25448 8868 1 17 . 1 1 73 73 CYS N N 73 120.205 120.205 121.593 -1.388 25448 8869 1 17 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.937 -0.406 25448 8870 1 17 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.421 0.371 25448 8871 1 17 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.972 -0.926 25448 8872 1 17 . 1 1 73 73 CYS H H 73 9.007 9.007 8.905 0.102 25448 8873 1 17 . 1 1 74 74 TYR N N 74 119.008 119.008 118.417 0.591 25448 8874 1 17 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.743 -0.146 25448 8875 1 17 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.629 -1.038 25448 8876 1 17 . 1 1 74 74 TYR CB C 74 41.876 41.876 41.016 0.861 25448 8877 1 17 . 1 1 74 74 TYR H H 74 8.141 8.141 8.449 -0.308 25448 8878 1 17 . 1 1 75 75 ARG N N 75 115.457 115.457 118.097 -2.640 25448 8879 1 17 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.635 0.004 25448 8880 1 17 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.862 -0.867 25448 8881 1 17 . 1 1 75 75 ARG CB C 75 33.235 33.235 33.731 -0.496 25448 8882 1 17 . 1 1 75 75 ARG H H 75 9.008 9.008 9.334 -0.326 25448 8883 1 17 . 1 1 76 76 VAL N N 76 123.071 123.071 121.778 1.293 25448 8884 1 17 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.568 -0.005 25448 8885 1 17 . 1 1 76 76 VAL CA C 76 62.968 62.968 61.808 1.160 25448 8886 1 17 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.166 -0.201 25448 8887 1 17 . 1 1 76 76 VAL H H 76 8.511 8.511 9.294 -0.783 25448 8888 1 17 . 1 1 77 77 ASN N N 77 126.125 126.125 126.267 -0.142 25448 8889 1 17 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.873 -0.018 25448 8890 1 17 . 1 1 77 77 ASN CA C 77 52.072 52.072 53.059 -0.987 25448 8891 1 17 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.267 -0.627 25448 8892 1 17 . 1 1 77 77 ASN H H 77 8.824 8.824 8.977 -0.153 25448 8893 1 17 . 1 1 78 78 ASN N N 78 124.269 124.269 122.953 1.316 25448 8894 1 17 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.833 0.513 25448 8895 1 17 . 1 1 78 78 ASN CA C 78 52.124 52.124 53.046 -0.922 25448 8896 1 17 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.696 0.252 25448 8897 1 17 . 1 1 78 78 ASN H H 78 8.685 8.685 8.879 -0.194 25448 8898 1 17 . 1 1 79 79 SER N N 79 117.959 117.959 117.418 0.541 25448 8899 1 17 . 1 1 79 79 SER HA H 79 4.112 4.112 4.208 -0.096 25448 8900 1 17 . 1 1 79 79 SER CA C 79 62.669 62.669 61.252 1.417 25448 8901 1 17 . 1 1 79 79 SER CB C 79 63.727 63.727 63.414 0.313 25448 8902 1 17 . 1 1 79 79 SER H H 79 8.109 8.109 8.101 0.008 25448 8903 1 17 . 1 1 80 80 LEU N N 80 121.272 121.272 121.492 -0.220 25448 8904 1 17 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.156 0.314 25448 8905 1 17 . 1 1 80 80 LEU CA C 80 55.542 55.542 55.545 -0.003 25448 8906 1 17 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.244 0.256 25448 8907 1 17 . 1 1 80 80 LEU H H 80 7.947 7.947 8.036 -0.089 25448 8908 1 17 . 1 1 81 81 ASP N N 81 121.692 121.692 120.448 1.244 25448 8909 1 17 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.220 0.870 25448 8910 1 17 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.589 0.015 25448 8911 1 17 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.040 -0.740 25448 8912 1 17 . 1 1 81 81 ASP H H 81 8.294 8.294 7.747 0.547 25448 8913 1 17 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.488 -0.033 25448 8914 1 17 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.252 0.648 25448 8915 1 17 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.220 -0.454 25448 8916 1 17 . 1 1 83 83 GLU N N 83 118.940 118.940 119.228 -0.288 25448 8917 1 17 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.126 0.027 25448 8918 1 17 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.620 -0.750 25448 8919 1 17 . 1 1 83 83 GLU CB C 83 32.422 32.422 30.270 2.152 25448 8920 1 17 . 1 1 83 83 GLU H H 83 7.476 7.476 7.626 -0.150 25448 8921 1 17 . 1 1 84 84 TYR N N 84 119.225 119.225 118.024 1.201 25448 8922 1 17 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.871 -0.105 25448 8923 1 17 . 1 1 84 84 TYR CA C 84 54.923 54.923 55.512 -0.589 25448 8924 1 17 . 1 1 84 84 TYR CB C 84 41.224 41.224 38.481 2.743 25448 8925 1 17 . 1 1 84 84 TYR H H 84 8.207 8.207 6.756 1.451 25448 8926 1 17 . 1 1 85 85 GLN N N 85 119.667 119.667 120.886 -1.219 25448 8927 1 17 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.605 0.193 25448 8928 1 17 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.308 -1.105 25448 8929 1 17 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.387 0.979 25448 8930 1 17 . 1 1 85 85 GLN H H 85 8.264 8.264 8.665 -0.401 25448 8931 1 17 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.530 -0.108 25448 8932 1 17 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.118 -0.507 25448 8933 1 17 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.353 -0.503 25448 8934 1 17 . 1 1 87 87 ARG N N 87 121.150 121.150 122.503 -1.353 25448 8935 1 17 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.855 -0.450 25448 8936 1 17 . 1 1 87 87 ARG CA C 87 55.600 55.600 52.287 3.313 25448 8937 1 17 . 1 1 87 87 ARG CB C 87 29.301 29.301 29.493 -0.192 25448 8938 1 17 . 1 1 87 87 ARG H H 87 8.254 8.254 8.524 -0.270 25448 8939 1 17 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.591 -0.144 25448 8940 1 17 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.639 0.340 25448 8941 1 17 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.540 -0.270 25448 8942 1 17 . 1 1 89 89 VAL N N 89 125.682 125.682 125.435 0.247 25448 8943 1 17 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.617 -0.116 25448 8944 1 17 . 1 1 89 89 VAL CA C 89 67.411 67.411 66.304 1.107 25448 8945 1 17 . 1 1 89 89 VAL CB C 89 31.635 31.635 31.521 0.114 25448 8946 1 17 . 1 1 89 89 VAL H H 89 8.678 8.678 8.727 -0.049 25448 8947 1 17 . 1 1 90 90 GLU N N 90 117.092 117.092 119.430 -2.338 25448 8948 1 17 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.101 -0.074 25448 8949 1 17 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.476 0.539 25448 8950 1 17 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.609 0.024 25448 8951 1 17 . 1 1 90 90 GLU H H 90 9.318 9.318 8.942 0.376 25448 8952 1 17 . 1 1 91 91 VAL N N 91 119.967 119.967 120.025 -0.058 25448 8953 1 17 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.847 0.017 25448 8954 1 17 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.163 -0.163 25448 8955 1 17 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.095 0.806 25448 8956 1 17 . 1 1 91 91 VAL H H 91 7.153 7.153 7.782 -0.629 25448 8957 1 17 . 1 1 92 92 ILE N N 92 122.669 122.669 122.065 0.604 25448 8958 1 17 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.891 -0.581 25448 8959 1 17 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.624 1.087 25448 8960 1 17 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.800 0.763 25448 8961 1 17 . 1 1 92 92 ILE H H 92 8.004 8.004 7.406 0.598 25448 8962 1 17 . 1 1 93 93 ILE N N 93 115.049 115.049 119.238 -4.189 25448 8963 1 17 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.607 -0.075 25448 8964 1 17 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.590 -0.505 25448 8965 1 17 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.531 -0.368 25448 8966 1 17 . 1 1 93 93 ILE H H 93 8.305 8.305 8.275 0.030 25448 8967 1 17 . 1 1 94 94 SER N N 94 115.196 115.196 116.192 -0.996 25448 8968 1 17 . 1 1 94 94 SER HA H 94 4.101 4.101 3.994 0.107 25448 8969 1 17 . 1 1 94 94 SER CA C 94 62.300 62.300 61.911 0.389 25448 8970 1 17 . 1 1 94 94 SER H H 94 7.927 7.927 8.357 -0.430 25448 8971 1 17 . 1 1 95 95 SER N N 95 117.891 117.891 118.607 -0.716 25448 8972 1 17 . 1 1 95 95 SER HA H 95 4.209 4.209 4.155 0.054 25448 8973 1 17 . 1 1 95 95 SER CA C 95 62.100 62.100 61.995 0.105 25448 8974 1 17 . 1 1 95 95 SER CB C 95 62.714 62.714 62.801 -0.087 25448 8975 1 17 . 1 1 95 95 SER H H 95 8.174 8.174 8.334 -0.160 25448 8976 1 17 . 1 1 96 96 ALA N N 96 123.830 123.830 124.382 -0.552 25448 8977 1 17 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.095 -0.204 25448 8978 1 17 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.465 -0.188 25448 8979 1 17 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.314 1.634 25448 8980 1 17 . 1 1 96 96 ALA H H 96 8.110 8.110 8.173 -0.063 25448 8981 1 17 . 1 1 97 97 LYS N N 97 115.893 115.893 118.589 -2.696 25448 8982 1 17 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.997 -0.189 25448 8983 1 17 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.275 1.074 25448 8984 1 17 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.424 0.274 25448 8985 1 17 . 1 1 97 97 LYS H H 97 8.218 8.218 8.227 -0.009 25448 8986 1 17 . 1 1 98 98 GLU N N 98 117.006 117.006 117.258 -0.252 25448 8987 1 17 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.100 0.040 25448 8988 1 17 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.281 -0.059 25448 8989 1 17 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.764 0.012 25448 8990 1 17 . 1 1 98 98 GLU H H 98 7.474 7.474 8.370 -0.896 25448 8991 1 17 . 1 1 99 99 MET N N 99 114.572 114.572 116.401 -1.829 25448 8992 1 17 . 1 1 99 99 MET HA H 99 4.533 4.533 4.388 0.145 25448 8993 1 17 . 1 1 99 99 MET CA C 99 55.292 55.292 55.785 -0.493 25448 8994 1 17 . 1 1 99 99 MET CB C 99 33.777 33.777 33.748 0.029 25448 8995 1 17 . 1 1 99 99 MET H H 99 7.378 7.378 8.015 -0.637 25448 8996 1 17 . 1 1 100 100 VAL N N 100 119.104 119.104 118.551 0.553 25448 8997 1 17 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.411 -0.145 25448 8998 1 17 . 1 1 100 100 VAL CA C 100 66.047 66.047 64.871 1.176 25448 8999 1 17 . 1 1 100 100 VAL CB C 100 31.325 31.325 31.231 0.094 25448 9000 1 17 . 1 1 100 100 VAL H H 100 7.056 7.056 8.111 -1.055 25448 9001 1 17 . 1 1 101 101 GLY N N 101 116.779 116.779 114.322 2.457 25448 9002 1 17 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.700 -0.049 25448 9003 1 17 . 1 1 101 101 GLY H H 101 8.979 8.979 8.635 0.344 25448 9004 1 17 . 1 1 102 102 GLN N N 102 119.990 119.990 119.987 0.003 25448 9005 1 17 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.520 -0.323 25448 9006 1 17 . 1 1 102 102 GLN C C 102 174.994 174.994 174.835 0.159 25448 9007 1 17 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.639 1.024 25448 9008 1 17 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.334 -1.398 25448 9009 1 17 . 1 1 102 102 GLN H H 102 8.103 8.103 8.162 -0.059 25448 9010 1 17 . 1 1 103 103 LYS N N 103 120.261 120.261 120.697 -0.436 25448 9011 1 17 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.336 -0.070 25448 9012 1 17 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.165 -0.523 25448 9013 1 17 . 1 1 103 103 LYS CB C 103 34.196 34.196 35.800 -1.604 25448 9014 1 17 . 1 1 103 103 LYS H H 103 8.310 8.310 8.412 -0.102 25448 9015 1 17 . 1 1 104 104 MET N N 104 119.868 119.868 119.091 0.777 25448 9016 1 17 . 1 1 104 104 MET HA H 104 4.692 4.692 4.885 -0.193 25448 9017 1 17 . 1 1 104 104 MET CA C 104 54.276 54.276 54.275 0.001 25448 9018 1 17 . 1 1 104 104 MET CB C 104 36.831 36.831 37.540 -0.709 25448 9019 1 17 . 1 1 104 104 MET H H 104 8.556 8.556 8.937 -0.381 25448 9020 1 17 . 1 1 105 105 LYS N N 105 120.932 120.932 119.181 1.751 25448 9021 1 17 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.249 0.117 25448 9022 1 17 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.362 0.737 25448 9023 1 17 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.966 -0.076 25448 9024 1 17 . 1 1 105 105 LYS H H 105 8.257 8.257 8.281 -0.024 25448 9025 1 17 . 1 1 106 106 TYR N N 106 122.600 122.600 120.451 2.149 25448 9026 1 17 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.528 -0.110 25448 9027 1 17 . 1 1 106 106 TYR CA C 106 56.726 56.726 57.715 -0.989 25448 9028 1 17 . 1 1 106 106 TYR CB C 106 38.561 38.561 39.499 -0.938 25448 9029 1 17 . 1 1 106 106 TYR H H 106 8.378 8.378 8.393 -0.015 25448 9030 1 17 . 1 1 107 107 SER N N 107 116.904 116.904 119.351 -2.447 25448 9031 1 17 . 1 1 107 107 SER CA C 107 56.717 56.717 60.646 -3.929 25448 9032 1 17 . 1 1 107 107 SER CB C 107 63.983 63.983 62.355 1.628 25448 9033 1 17 . 1 1 107 107 SER H H 107 8.044 8.044 8.001 0.043 25448 9034 1 17 . 1 1 109 109 VAL HA H 109 4.013 4.013 4.127 -0.114 25448 9035 1 17 . 1 1 109 109 VAL CA C 109 64.307 64.307 61.741 2.566 25448 9036 1 17 . 1 1 109 109 VAL CB C 109 32.000 32.000 29.699 2.301 25448 9037 1 17 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.157 0.215 25448 9038 1 17 . 1 1 111 111 ARG CA C 111 57.100 57.100 56.171 0.929 25448 9039 1 17 . 1 1 111 111 ARG CB C 111 28.110 28.110 29.300 -1.190 25448 9040 1 17 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.240 0.248 25448 9041 1 17 . 1 1 113 113 CYS CA C 113 61.609 61.609 63.199 -1.590 25448 9042 1 17 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.366 -0.566 25448 9043 1 17 . 1 1 114 114 GLU N N 114 125.287 125.287 121.838 3.449 25448 9044 1 17 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.233 0.206 25448 9045 1 17 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.234 -0.565 25448 9046 1 17 . 1 1 114 114 GLU CB C 114 30.058 30.058 28.419 1.639 25448 9047 1 17 . 1 1 114 114 GLU H H 114 7.720 7.720 7.687 0.033 25448 9048 1 17 . 1 1 115 115 HIS N N 115 119.008 119.008 118.544 0.464 25448 9049 1 17 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.212 0.185 25448 9050 1 17 . 1 1 115 115 HIS CA C 115 58.460 58.460 57.872 0.588 25448 9051 1 17 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.864 0.197 25448 9052 1 17 . 1 1 115 115 HIS H H 115 8.051 8.051 8.271 -0.220 25448 9053 1 17 . 1 1 116 116 PHE N N 116 117.059 117.059 121.340 -4.281 25448 9054 1 17 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.158 0.190 25448 9055 1 17 . 1 1 116 116 PHE CA C 116 61.077 61.077 60.350 0.727 25448 9056 1 17 . 1 1 116 116 PHE CB C 116 39.598 39.598 39.139 0.459 25448 9057 1 17 . 1 1 116 116 PHE H H 116 8.168 8.168 8.324 -0.156 25448 9058 1 17 . 1 1 117 117 VAL N N 117 107.857 107.857 115.067 -7.210 25448 9059 1 17 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.190 0.675 25448 9060 1 17 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.290 -0.698 25448 9061 1 17 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.076 -0.503 25448 9062 1 17 . 1 1 117 117 VAL H H 117 7.080 7.080 7.786 -0.706 25448 9063 1 17 . 1 1 118 118 THR N N 118 117.382 117.382 112.674 4.708 25448 9064 1 17 . 1 1 118 118 THR HA H 118 4.046 4.046 3.940 0.106 25448 9065 1 17 . 1 1 118 118 THR CA C 118 66.745 66.745 65.883 0.862 25448 9066 1 17 . 1 1 118 118 THR CB C 118 68.185 68.185 68.702 -0.517 25448 9067 1 17 . 1 1 118 118 THR H H 118 8.465 8.465 8.079 0.386 25448 9068 1 17 . 1 1 119 119 GLN N N 119 121.900 121.900 120.713 1.187 25448 9069 1 17 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.167 -0.282 25448 9070 1 17 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.490 0.512 25448 9071 1 17 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.408 -0.797 25448 9072 1 17 . 1 1 119 119 GLN H H 119 8.074 8.074 7.689 0.385 25448 9073 1 17 . 1 1 120 120 LEU N N 120 117.899 117.899 118.177 -0.278 25448 9074 1 17 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.987 -0.152 25448 9075 1 17 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.462 -0.035 25448 9076 1 17 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.282 0.952 25448 9077 1 17 . 1 1 120 120 LEU H H 120 6.829 6.829 7.243 -0.414 25448 9078 1 17 . 1 1 121 121 ARG N N 121 117.250 117.250 118.191 -0.941 25448 9079 1 17 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.127 -0.207 25448 9080 1 17 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.827 0.216 25448 9081 1 17 . 1 1 121 121 ARG CB C 121 30.256 30.256 31.001 -0.745 25448 9082 1 17 . 1 1 121 121 ARG H H 121 7.677 7.677 7.630 0.047 25448 9083 1 17 . 1 1 122 122 TYR N N 122 111.508 111.508 120.214 -8.706 25448 9084 1 17 . 1 1 122 122 TYR HA H 122 4.640 4.640 3.602 1.038 25448 9085 1 17 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.032 -1.510 25448 9086 1 17 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.579 1.095 25448 9087 1 17 . 1 1 122 122 TYR H H 122 8.114 8.114 8.849 -0.735 25448 9088 1 17 . 1 1 123 123 GLY N N 123 109.399 109.399 104.717 4.682 25448 9089 1 17 . 1 1 123 123 GLY CA C 123 45.341 45.341 43.809 1.532 25448 9090 1 17 . 1 1 123 123 GLY H H 123 8.032 8.032 7.630 0.402 25448 9091 1 17 . 1 1 124 124 LYS N N 124 117.936 117.936 120.140 -2.204 25448 9092 1 17 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.034 0.318 25448 9093 1 17 . 1 1 124 124 LYS CA C 124 55.200 55.200 56.220 -1.020 25448 9094 1 17 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.465 1.532 25448 9095 1 17 . 1 1 124 124 LYS H H 124 7.402 7.402 7.157 0.245 25448 9096 1 18 . 1 1 3 3 SER N N 3 113.812 113.812 115.254 -1.442 25448 9097 1 18 . 1 1 3 3 SER HA H 3 4.697 4.697 4.385 0.312 25448 9098 1 18 . 1 1 3 3 SER CA C 3 58.996 58.996 59.532 -0.536 25448 9099 1 18 . 1 1 3 3 SER CB C 3 63.800 63.800 61.538 2.262 25448 9100 1 18 . 1 1 3 3 SER H H 3 7.587 7.587 8.571 -0.984 25448 9101 1 18 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.539 -0.126 25448 9102 1 18 . 1 1 4 4 PRO CA C 4 63.354 63.354 62.441 0.913 25448 9103 1 18 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.739 -0.839 25448 9104 1 18 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.470 0.087 25448 9105 1 18 . 1 1 5 5 HIS CA C 5 56.230 56.230 55.043 1.187 25448 9106 1 18 . 1 1 5 5 HIS CB C 5 30.500 30.500 30.157 0.343 25448 9107 1 18 . 1 1 5 5 HIS H H 5 6.984 6.984 7.817 -0.833 25448 9108 1 18 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.341 -0.053 25448 9109 1 18 . 1 1 6 6 GLN CA C 6 55.174 55.174 55.596 -0.422 25448 9110 1 18 . 1 1 6 6 GLN CB C 6 30.042 30.042 29.490 0.552 25448 9111 1 18 . 1 1 7 7 GLU N N 7 124.477 124.477 121.592 2.885 25448 9112 1 18 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.515 -0.026 25448 9113 1 18 . 1 1 7 7 GLU CA C 7 54.111 54.111 54.710 -0.599 25448 9114 1 18 . 1 1 7 7 GLU CB C 7 29.912 29.912 29.894 0.018 25448 9115 1 18 . 1 1 7 7 GLU H H 7 8.353 8.353 8.473 -0.120 25448 9116 1 18 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.497 -0.152 25448 9117 1 18 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.123 0.275 25448 9118 1 18 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.433 -1.033 25448 9119 1 18 . 1 1 9 9 LYS N N 9 122.328 122.328 119.855 2.473 25448 9120 1 18 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.887 -0.014 25448 9121 1 18 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.632 0.519 25448 9122 1 18 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.865 -1.726 25448 9123 1 18 . 1 1 9 9 LYS H H 9 9.336 9.336 8.946 0.390 25448 9124 1 18 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.300 -0.377 25448 9125 1 18 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.658 -0.124 25448 9126 1 18 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.549 0.080 25448 9127 1 18 . 1 1 11 11 GLY N N 11 112.758 112.758 114.608 -1.850 25448 9128 1 18 . 1 1 11 11 GLY CA C 11 45.182 45.182 44.950 0.232 25448 9129 1 18 . 1 1 11 11 GLY H H 11 9.359 9.359 9.130 0.229 25448 9130 1 18 . 1 1 12 12 ASP N N 12 120.500 120.500 121.849 -1.349 25448 9131 1 18 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.800 0.070 25448 9132 1 18 . 1 1 12 12 ASP CA C 12 55.211 55.211 55.428 -0.217 25448 9133 1 18 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.363 1.583 25448 9134 1 18 . 1 1 12 12 ASP H H 12 8.277 8.277 7.980 0.297 25448 9135 1 18 . 1 1 13 13 LEU N N 13 119.594 119.594 123.003 -3.409 25448 9136 1 18 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.994 -0.017 25448 9137 1 18 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.517 -0.528 25448 9138 1 18 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.954 -1.756 25448 9139 1 18 . 1 1 13 13 LEU H H 13 9.103 9.103 9.308 -0.205 25448 9140 1 18 . 1 1 14 14 ILE N N 14 121.352 121.352 124.403 -3.051 25448 9141 1 18 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.916 -0.306 25448 9142 1 18 . 1 1 14 14 ILE CA C 14 58.178 58.178 59.936 -1.758 25448 9143 1 18 . 1 1 14 14 ILE CB C 14 39.213 39.213 40.394 -1.181 25448 9144 1 18 . 1 1 14 14 ILE H H 14 9.221 9.221 9.395 -0.174 25448 9145 1 18 . 1 1 15 15 GLU N N 15 129.555 129.555 125.654 3.901 25448 9146 1 18 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.617 -1.399 25448 9147 1 18 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.035 0.413 25448 9148 1 18 . 1 1 15 15 GLU CB C 15 31.783 31.783 31.773 0.010 25448 9149 1 18 . 1 1 15 15 GLU H H 15 8.625 8.625 9.150 -0.525 25448 9150 1 18 . 1 1 16 16 ILE N N 16 125.258 125.258 121.884 3.374 25448 9151 1 18 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.261 -0.152 25448 9152 1 18 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.490 1.010 25448 9153 1 18 . 1 1 16 16 ILE CB C 16 40.401 40.401 41.121 -0.720 25448 9154 1 18 . 1 1 16 16 ILE H H 16 8.557 8.557 8.699 -0.142 25448 9155 1 18 . 1 1 17 17 PHE N N 17 127.058 127.058 125.956 1.102 25448 9156 1 18 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.584 -0.082 25448 9157 1 18 . 1 1 17 17 PHE CA C 17 58.939 58.939 55.280 3.659 25448 9158 1 18 . 1 1 17 17 PHE CB C 17 37.496 37.496 36.483 1.013 25448 9159 1 18 . 1 1 17 17 PHE H H 17 8.500 8.500 8.455 0.045 25448 9160 1 18 . 1 1 18 18 ARG N N 18 124.569 124.569 121.801 2.768 25448 9161 1 18 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.202 0.448 25448 9162 1 18 . 1 1 18 18 ARG CA C 18 54.596 54.596 55.693 -1.097 25448 9163 1 18 . 1 1 18 18 ARG CB C 18 30.206 30.206 31.178 -0.972 25448 9164 1 18 . 1 1 18 18 ARG H H 18 7.686 7.686 7.415 0.271 25448 9165 1 18 . 1 1 19 19 LEU N N 19 121.049 121.049 124.323 -3.274 25448 9166 1 18 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.177 0.247 25448 9167 1 18 . 1 1 19 19 LEU CA C 19 56.123 56.123 55.894 0.229 25448 9168 1 18 . 1 1 19 19 LEU CB C 19 40.296 40.296 42.008 -1.712 25448 9169 1 18 . 1 1 19 19 LEU H H 19 8.103 8.103 8.618 -0.515 25448 9170 1 18 . 1 1 20 20 GLY N N 20 115.623 115.623 112.045 3.578 25448 9171 1 18 . 1 1 20 20 GLY CA C 20 45.736 45.736 44.901 0.834 25448 9172 1 18 . 1 1 20 20 GLY H H 20 8.686 8.686 8.519 0.167 25448 9173 1 18 . 1 1 21 21 TYR N N 21 115.905 115.905 125.497 -9.592 25448 9174 1 18 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.651 0.109 25448 9175 1 18 . 1 1 21 21 TYR CA C 21 56.507 56.507 57.743 -1.236 25448 9176 1 18 . 1 1 21 21 TYR CB C 21 38.631 38.631 39.400 -0.769 25448 9177 1 18 . 1 1 21 21 TYR H H 21 7.433 7.433 8.610 -1.177 25448 9178 1 18 . 1 1 22 22 GLU N N 22 116.649 116.649 125.734 -9.085 25448 9179 1 18 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.208 0.952 25448 9180 1 18 . 1 1 22 22 GLU CA C 22 56.255 56.255 56.215 0.041 25448 9181 1 18 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.949 1.218 25448 9182 1 18 . 1 1 22 22 GLU H H 22 8.139 8.139 8.130 0.009 25448 9183 1 18 . 1 1 23 23 HIS N N 23 122.171 122.171 119.786 2.385 25448 9184 1 18 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.771 0.817 25448 9185 1 18 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.956 -0.795 25448 9186 1 18 . 1 1 23 23 HIS CB C 23 34.370 34.370 32.616 1.754 25448 9187 1 18 . 1 1 23 23 HIS H H 23 8.943 8.943 8.654 0.289 25448 9188 1 18 . 1 1 24 24 TRP N N 24 124.412 124.412 119.738 4.674 25448 9189 1 18 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.602 0.095 25448 9190 1 18 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.137 -0.231 25448 9191 1 18 . 1 1 24 24 TRP CB C 24 33.156 33.156 35.108 -1.952 25448 9192 1 18 . 1 1 24 24 TRP H H 24 6.764 6.764 8.071 -1.307 25448 9193 1 18 . 1 1 25 25 ALA N N 25 121.149 121.149 121.483 -0.334 25448 9194 1 18 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.287 -0.426 25448 9195 1 18 . 1 1 25 25 ALA CA C 25 50.352 50.352 51.048 -0.696 25448 9196 1 18 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.328 -0.375 25448 9197 1 18 . 1 1 25 25 ALA H H 25 9.336 9.336 9.320 0.016 25448 9198 1 18 . 1 1 26 26 LEU N N 26 122.472 122.472 124.076 -1.604 25448 9199 1 18 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.218 0.042 25448 9200 1 18 . 1 1 26 26 LEU CA C 26 53.641 53.641 53.044 0.597 25448 9201 1 18 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.245 2.176 25448 9202 1 18 . 1 1 26 26 LEU H H 26 8.835 8.835 9.031 -0.196 25448 9203 1 18 . 1 1 27 27 TYR N N 27 128.215 128.215 129.141 -0.926 25448 9204 1 18 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.704 0.048 25448 9205 1 18 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.549 1.253 25448 9206 1 18 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.938 -1.268 25448 9207 1 18 . 1 1 27 27 TYR H H 27 9.750 9.750 9.316 0.434 25448 9208 1 18 . 1 1 28 28 ILE N N 28 119.796 119.796 121.791 -1.995 25448 9209 1 18 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.526 0.047 25448 9210 1 18 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.271 0.547 25448 9211 1 18 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.183 -0.283 25448 9212 1 18 . 1 1 28 28 ILE H H 28 8.196 8.196 8.074 0.122 25448 9213 1 18 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.332 -0.332 25448 9214 1 18 . 1 1 29 29 GLY H H 29 6.584 6.584 6.712 -0.128 25448 9215 1 18 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.347 0.075 25448 9216 1 18 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.121 0.519 25448 9217 1 18 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.390 -0.137 25448 9218 1 18 . 1 1 30 30 ASP H H 30 6.837 6.837 8.882 -2.045 25448 9219 1 18 . 1 1 31 31 GLY N N 31 124.953 124.953 102.462 22.491 25448 9220 1 18 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.202 0.336 25448 9221 1 18 . 1 1 31 31 GLY H H 31 8.120 8.120 7.944 0.176 25448 9222 1 18 . 1 1 32 32 TYR N N 32 120.196 120.196 121.080 -0.884 25448 9223 1 18 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.020 -0.090 25448 9224 1 18 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.670 0.118 25448 9225 1 18 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.359 1.636 25448 9226 1 18 . 1 1 32 32 TYR H H 32 7.843 7.843 7.652 0.191 25448 9227 1 18 . 1 1 33 33 VAL N N 33 109.892 109.892 113.110 -3.218 25448 9228 1 18 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.183 0.283 25448 9229 1 18 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.397 -1.937 25448 9230 1 18 . 1 1 33 33 VAL CB C 33 35.157 35.157 36.142 -0.985 25448 9231 1 18 . 1 1 33 33 VAL H H 33 9.242 9.242 9.281 -0.039 25448 9232 1 18 . 1 1 34 34 ILE N N 34 119.424 119.424 121.408 -1.984 25448 9233 1 18 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.287 0.268 25448 9234 1 18 . 1 1 34 34 ILE CA C 34 60.331 60.331 59.828 0.503 25448 9235 1 18 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.917 0.015 25448 9236 1 18 . 1 1 34 34 ILE H H 34 9.084 9.084 8.972 0.112 25448 9237 1 18 . 1 1 35 35 HIS N N 35 123.118 123.118 120.862 2.256 25448 9238 1 18 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.273 -0.115 25448 9239 1 18 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.500 -0.282 25448 9240 1 18 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.809 2.191 25448 9241 1 18 . 1 1 35 35 HIS H H 35 9.110 9.110 9.112 -0.002 25448 9242 1 18 . 1 1 36 36 LEU N N 36 123.704 123.704 123.792 -0.088 25448 9243 1 18 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.593 -0.509 25448 9244 1 18 . 1 1 36 36 LEU CA C 36 53.682 53.682 53.087 0.595 25448 9245 1 18 . 1 1 36 36 LEU CB C 36 41.631 41.631 44.166 -2.535 25448 9246 1 18 . 1 1 36 36 LEU H H 36 8.991 8.991 8.524 0.467 25448 9247 1 18 . 1 1 37 37 ALA N N 37 129.765 129.765 130.660 -0.895 25448 9248 1 18 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.847 -0.520 25448 9249 1 18 . 1 1 37 37 ALA CA C 37 49.698 49.698 49.183 0.515 25448 9250 1 18 . 1 1 37 37 ALA CB C 37 19.428 19.428 18.145 1.283 25448 9251 1 18 . 1 1 37 37 ALA H H 37 8.050 8.050 8.766 -0.716 25448 9252 1 18 . 1 1 38 38 PRO HA H 38 4.004 4.004 5.024 -1.020 25448 9253 1 18 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.360 -0.560 25448 9254 1 18 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.479 -0.951 25448 9255 1 18 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.451 -0.077 25448 9256 1 18 . 1 1 39 39 PRO CA C 39 62.900 62.900 65.004 -2.104 25448 9257 1 18 . 1 1 39 39 PRO CB C 39 32.000 32.000 31.878 0.122 25448 9258 1 18 . 1 1 40 40 SER N N 40 114.906 114.906 110.776 4.130 25448 9259 1 18 . 1 1 40 40 SER HA H 40 4.326 4.326 4.362 -0.036 25448 9260 1 18 . 1 1 40 40 SER CA C 40 58.700 58.700 58.438 0.262 25448 9261 1 18 . 1 1 40 40 SER CB C 40 64.004 64.004 62.811 1.193 25448 9262 1 18 . 1 1 40 40 SER H H 40 8.184 8.184 8.355 -0.171 25448 9263 1 18 . 1 1 41 41 GLU N N 41 121.221 121.221 123.055 -1.834 25448 9264 1 18 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.212 0.049 25448 9265 1 18 . 1 1 41 41 GLU CA C 41 56.424 56.424 56.268 0.156 25448 9266 1 18 . 1 1 41 41 GLU CB C 41 30.514 30.514 30.507 0.007 25448 9267 1 18 . 1 1 41 41 GLU H H 41 8.401 8.401 7.619 0.782 25448 9268 1 18 . 1 1 42 42 TYR N N 42 121.900 121.900 121.734 0.166 25448 9269 1 18 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.453 0.327 25448 9270 1 18 . 1 1 42 42 TYR CA C 42 55.700 55.700 57.032 -1.331 25448 9271 1 18 . 1 1 42 42 TYR CB C 42 38.400 38.400 37.880 0.520 25448 9272 1 18 . 1 1 42 42 TYR H H 42 8.117 8.117 8.267 -0.150 25448 9273 1 18 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.530 -0.127 25448 9274 1 18 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.134 1.346 25448 9275 1 18 . 1 1 43 43 PRO CB C 43 31.800 31.800 33.531 -1.731 25448 9276 1 18 . 1 1 44 44 GLY N N 44 109.030 109.030 106.721 2.309 25448 9277 1 18 . 1 1 44 44 GLY CA C 44 45.244 45.244 44.785 0.459 25448 9278 1 18 . 1 1 44 44 GLY H H 44 8.001 8.001 8.751 -0.750 25448 9279 1 18 . 1 1 45 45 ALA N N 45 123.500 123.500 120.974 2.526 25448 9280 1 18 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.401 -0.089 25448 9281 1 18 . 1 1 45 45 ALA CA C 45 52.853 52.853 51.626 1.227 25448 9282 1 18 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.927 -0.605 25448 9283 1 18 . 1 1 45 45 ALA H H 45 8.082 8.082 7.235 0.847 25448 9284 1 18 . 1 1 46 46 GLY N N 46 108.151 108.151 107.019 1.132 25448 9285 1 18 . 1 1 46 46 GLY CA C 46 45.460 45.460 45.049 0.411 25448 9286 1 18 . 1 1 46 46 GLY H H 46 8.408 8.408 8.317 0.091 25448 9287 1 18 . 1 1 48 48 SER N N 48 116.904 116.904 114.999 1.905 25448 9288 1 18 . 1 1 48 48 SER HA H 48 4.700 4.700 4.487 0.213 25448 9289 1 18 . 1 1 48 48 SER H H 48 8.044 8.044 8.282 -0.238 25448 9290 1 18 . 1 1 49 49 SER HA H 49 4.456 4.456 4.471 -0.015 25448 9291 1 18 . 1 1 49 49 SER CA C 49 58.713 58.713 57.141 1.572 25448 9292 1 18 . 1 1 49 49 SER CB C 49 64.000 64.000 63.981 0.019 25448 9293 1 18 . 1 1 50 50 VAL N N 50 120.352 120.352 119.224 1.128 25448 9294 1 18 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.941 0.092 25448 9295 1 18 . 1 1 50 50 VAL CA C 50 62.816 62.816 64.315 -1.499 25448 9296 1 18 . 1 1 50 50 VAL CB C 50 32.416 32.416 31.613 0.803 25448 9297 1 18 . 1 1 50 50 VAL H H 50 7.890 7.890 8.447 -0.556 25448 9298 1 18 . 1 1 51 51 PHE N N 51 121.600 121.600 115.789 5.811 25448 9299 1 18 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.194 0.382 25448 9300 1 18 . 1 1 51 51 PHE CA C 51 58.198 58.198 58.888 -0.690 25448 9301 1 18 . 1 1 51 51 PHE CB C 51 39.470 39.470 38.285 1.185 25448 9302 1 18 . 1 1 51 51 PHE H H 51 7.989 7.989 7.274 0.715 25448 9303 1 18 . 1 1 52 52 SER N N 52 116.521 116.521 114.043 2.478 25448 9304 1 18 . 1 1 52 52 SER HA H 52 4.429 4.429 4.513 -0.084 25448 9305 1 18 . 1 1 52 52 SER C C 52 174.445 174.445 173.763 0.682 25448 9306 1 18 . 1 1 52 52 SER CA C 52 58.365 58.365 59.618 -1.253 25448 9307 1 18 . 1 1 52 52 SER CB C 52 64.018 64.018 63.959 0.059 25448 9308 1 18 . 1 1 52 52 SER H H 52 8.018 8.018 7.813 0.205 25448 9309 1 18 . 1 1 53 53 VAL N N 53 120.571 120.571 115.503 5.068 25448 9310 1 18 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.489 -0.386 25448 9311 1 18 . 1 1 53 53 VAL CA C 53 62.979 62.979 61.582 1.397 25448 9312 1 18 . 1 1 53 53 VAL CB C 53 32.416 32.416 34.336 -1.920 25448 9313 1 18 . 1 1 53 53 VAL H H 53 7.959 7.959 7.272 0.687 25448 9314 1 18 . 1 1 54 54 LEU N N 54 123.703 123.703 123.018 0.685 25448 9315 1 18 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.576 -0.210 25448 9316 1 18 . 1 1 54 54 LEU CA C 54 55.500 55.500 55.266 0.234 25448 9317 1 18 . 1 1 54 54 LEU CB C 54 42.293 42.293 42.603 -0.310 25448 9318 1 18 . 1 1 54 54 LEU H H 54 8.095 8.095 8.113 -0.018 25448 9319 1 18 . 1 1 55 55 SER N N 55 115.309 115.309 114.354 0.955 25448 9320 1 18 . 1 1 55 55 SER HA H 55 4.399 4.399 4.551 -0.152 25448 9321 1 18 . 1 1 55 55 SER CA C 55 58.365 58.365 58.259 0.106 25448 9322 1 18 . 1 1 55 55 SER CB C 55 64.110 64.110 63.807 0.303 25448 9323 1 18 . 1 1 55 55 SER H H 55 8.063 8.063 8.032 0.031 25448 9324 1 18 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.809 0.109 25448 9325 1 18 . 1 1 56 56 ASN CA C 56 53.151 53.151 52.477 0.674 25448 9326 1 18 . 1 1 56 56 ASN CB C 56 39.339 39.339 40.072 -0.733 25448 9327 1 18 . 1 1 57 57 SER N N 57 115.102 115.102 114.193 0.909 25448 9328 1 18 . 1 1 57 57 SER HA H 57 4.694 4.694 4.413 0.281 25448 9329 1 18 . 1 1 57 57 SER CA C 57 58.307 58.307 58.559 -0.252 25448 9330 1 18 . 1 1 57 57 SER CB C 57 64.838 64.838 64.034 0.803 25448 9331 1 18 . 1 1 57 57 SER H H 57 8.065 8.065 8.432 -0.367 25448 9332 1 18 . 1 1 58 58 ALA N N 58 125.610 125.610 124.510 1.100 25448 9333 1 18 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.793 -0.299 25448 9334 1 18 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.681 0.600 25448 9335 1 18 . 1 1 58 58 ALA CB C 58 22.479 22.479 21.858 0.621 25448 9336 1 18 . 1 1 58 58 ALA H H 58 8.548 8.548 8.501 0.047 25448 9337 1 18 . 1 1 59 59 GLU N N 59 120.190 120.190 120.683 -0.493 25448 9338 1 18 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.070 -0.037 25448 9339 1 18 . 1 1 59 59 GLU CA C 59 54.004 54.004 54.554 -0.550 25448 9340 1 18 . 1 1 59 59 GLU CB C 59 34.292 34.292 34.139 0.153 25448 9341 1 18 . 1 1 59 59 GLU H H 59 8.116 8.116 8.282 -0.166 25448 9342 1 18 . 1 1 60 60 VAL N N 60 125.380 125.380 126.513 -1.133 25448 9343 1 18 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.016 0.322 25448 9344 1 18 . 1 1 60 60 VAL CA C 60 62.784 62.784 63.057 -0.273 25448 9345 1 18 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.423 -0.667 25448 9346 1 18 . 1 1 60 60 VAL H H 60 8.531 8.531 8.955 -0.424 25448 9347 1 18 . 1 1 61 61 LYS N N 61 129.548 129.548 126.208 3.340 25448 9348 1 18 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.658 0.242 25448 9349 1 18 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.147 1.437 25448 9350 1 18 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.168 0.866 25448 9351 1 18 . 1 1 61 61 LYS H H 61 9.068 9.068 8.671 0.397 25448 9352 1 18 . 1 1 62 62 ARG N N 62 123.653 123.653 122.407 1.246 25448 9353 1 18 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.375 0.327 25448 9354 1 18 . 1 1 62 62 ARG CA C 62 54.386 54.386 54.836 -0.450 25448 9355 1 18 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.633 -0.675 25448 9356 1 18 . 1 1 62 62 ARG H H 62 8.749 8.749 8.528 0.221 25448 9357 1 18 . 1 1 63 63 GLU N N 63 125.033 125.033 123.414 1.619 25448 9358 1 18 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.776 0.222 25448 9359 1 18 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.980 -0.102 25448 9360 1 18 . 1 1 63 63 GLU CB C 63 36.983 36.983 33.881 3.102 25448 9361 1 18 . 1 1 63 63 GLU H H 63 8.973 8.973 9.175 -0.202 25448 9362 1 18 . 1 1 64 64 ARG N N 64 121.855 121.855 119.777 2.078 25448 9363 1 18 . 1 1 64 64 ARG HA H 64 3.900 3.900 3.905 -0.005 25448 9364 1 18 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.906 -0.006 25448 9365 1 18 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.168 -0.622 25448 9366 1 18 . 1 1 64 64 ARG H H 64 9.273 9.273 8.560 0.713 25448 9367 1 18 . 1 1 65 65 LEU N N 65 124.611 124.611 126.633 -2.022 25448 9368 1 18 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.795 -0.225 25448 9369 1 18 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.724 0.286 25448 9370 1 18 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.842 -0.119 25448 9371 1 18 . 1 1 65 65 LEU H H 65 8.823 8.823 8.768 0.055 25448 9372 1 18 . 1 1 66 66 GLU N N 66 115.188 115.188 118.777 -3.589 25448 9373 1 18 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.675 0.160 25448 9374 1 18 . 1 1 66 66 GLU CA C 66 59.654 59.654 60.095 -0.441 25448 9375 1 18 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.663 0.497 25448 9376 1 18 . 1 1 66 66 GLU H H 66 9.360 9.360 8.766 0.594 25448 9377 1 18 . 1 1 67 67 ASP N N 67 118.590 118.590 118.995 -0.405 25448 9378 1 18 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.367 0.093 25448 9379 1 18 . 1 1 67 67 ASP CA C 67 56.567 56.567 57.050 -0.483 25448 9380 1 18 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.416 0.254 25448 9381 1 18 . 1 1 67 67 ASP H H 67 6.806 6.806 8.192 -1.386 25448 9382 1 18 . 1 1 68 68 VAL N N 68 119.985 119.985 118.431 1.554 25448 9383 1 18 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.578 0.038 25448 9384 1 18 . 1 1 68 68 VAL CA C 68 65.070 65.070 64.795 0.275 25448 9385 1 18 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.518 0.649 25448 9386 1 18 . 1 1 68 68 VAL H H 68 7.414 7.414 7.837 -0.423 25448 9387 1 18 . 1 1 69 69 VAL N N 69 116.972 116.972 117.931 -0.959 25448 9388 1 18 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.443 0.059 25448 9389 1 18 . 1 1 69 69 VAL CA C 69 65.337 65.337 64.879 0.458 25448 9390 1 18 . 1 1 69 69 VAL CB C 69 32.036 32.036 31.815 0.221 25448 9391 1 18 . 1 1 69 69 VAL H H 69 8.261 8.261 8.056 0.205 25448 9392 1 18 . 1 1 70 70 GLY N N 70 107.311 107.311 107.387 -0.076 25448 9393 1 18 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.364 1.246 25448 9394 1 18 . 1 1 70 70 GLY H H 70 7.395 7.395 8.168 -0.773 25448 9395 1 18 . 1 1 71 71 GLY N N 71 110.582 110.582 110.106 0.476 25448 9396 1 18 . 1 1 71 71 GLY CA C 71 45.176 45.176 44.574 0.602 25448 9397 1 18 . 1 1 71 71 GLY H H 71 8.831 8.831 8.474 0.357 25448 9398 1 18 . 1 1 72 72 CYS N N 72 118.742 118.742 117.553 1.189 25448 9399 1 18 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.360 0.138 25448 9400 1 18 . 1 1 72 72 CYS CA C 72 60.154 60.154 59.787 0.367 25448 9401 1 18 . 1 1 72 72 CYS CB C 72 29.295 29.295 28.509 0.786 25448 9402 1 18 . 1 1 72 72 CYS H H 72 7.613 7.613 7.821 -0.208 25448 9403 1 18 . 1 1 73 73 CYS N N 73 120.205 120.205 118.924 1.281 25448 9404 1 18 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.727 -0.196 25448 9405 1 18 . 1 1 73 73 CYS CA C 73 59.792 59.792 58.548 1.244 25448 9406 1 18 . 1 1 73 73 CYS CB C 73 28.046 28.046 30.305 -2.259 25448 9407 1 18 . 1 1 73 73 CYS H H 73 9.007 9.007 8.799 0.208 25448 9408 1 18 . 1 1 74 74 TYR N N 74 119.008 119.008 116.314 2.694 25448 9409 1 18 . 1 1 74 74 TYR HA H 74 5.597 5.597 4.543 1.054 25448 9410 1 18 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.377 -0.786 25448 9411 1 18 . 1 1 74 74 TYR CB C 74 41.876 41.876 40.996 0.880 25448 9412 1 18 . 1 1 74 74 TYR H H 74 8.141 8.141 8.037 0.104 25448 9413 1 18 . 1 1 75 75 ARG N N 75 115.457 115.457 117.303 -1.846 25448 9414 1 18 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.784 -0.145 25448 9415 1 18 . 1 1 75 75 ARG CA C 75 53.995 53.995 53.568 0.427 25448 9416 1 18 . 1 1 75 75 ARG CB C 75 33.235 33.235 35.467 -2.232 25448 9417 1 18 . 1 1 75 75 ARG H H 75 9.008 9.008 8.517 0.491 25448 9418 1 18 . 1 1 76 76 VAL N N 76 123.071 123.071 121.482 1.589 25448 9419 1 18 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.534 0.029 25448 9420 1 18 . 1 1 76 76 VAL CA C 76 62.968 62.968 61.850 1.118 25448 9421 1 18 . 1 1 76 76 VAL CB C 76 31.965 31.965 31.871 0.094 25448 9422 1 18 . 1 1 76 76 VAL H H 76 8.511 8.511 9.188 -0.677 25448 9423 1 18 . 1 1 77 77 ASN N N 77 126.125 126.125 126.988 -0.863 25448 9424 1 18 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.893 -0.038 25448 9425 1 18 . 1 1 77 77 ASN CA C 77 52.072 52.072 53.175 -1.103 25448 9426 1 18 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.659 -1.019 25448 9427 1 18 . 1 1 77 77 ASN H H 77 8.824 8.824 9.215 -0.391 25448 9428 1 18 . 1 1 78 78 ASN N N 78 124.269 124.269 124.051 0.218 25448 9429 1 18 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.859 0.487 25448 9430 1 18 . 1 1 78 78 ASN CA C 78 52.124 52.124 52.892 -0.768 25448 9431 1 18 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.973 -0.025 25448 9432 1 18 . 1 1 78 78 ASN H H 78 8.685 8.685 8.866 -0.181 25448 9433 1 18 . 1 1 79 79 SER N N 79 117.959 117.959 117.229 0.730 25448 9434 1 18 . 1 1 79 79 SER HA H 79 4.112 4.112 4.189 -0.077 25448 9435 1 18 . 1 1 79 79 SER CA C 79 62.669 62.669 61.133 1.536 25448 9436 1 18 . 1 1 79 79 SER CB C 79 63.727 63.727 63.332 0.395 25448 9437 1 18 . 1 1 79 79 SER H H 79 8.109 8.109 8.090 0.019 25448 9438 1 18 . 1 1 80 80 LEU N N 80 121.272 121.272 121.682 -0.410 25448 9439 1 18 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.060 0.410 25448 9440 1 18 . 1 1 80 80 LEU CA C 80 55.542 55.542 56.267 -0.725 25448 9441 1 18 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.290 0.210 25448 9442 1 18 . 1 1 80 80 LEU H H 80 7.947 7.947 7.960 -0.013 25448 9443 1 18 . 1 1 81 81 ASP N N 81 121.692 121.692 120.246 1.446 25448 9444 1 18 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.459 0.631 25448 9445 1 18 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.646 -0.042 25448 9446 1 18 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.103 -0.803 25448 9447 1 18 . 1 1 81 81 ASP H H 81 8.294 8.294 7.891 0.403 25448 9448 1 18 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.577 -0.122 25448 9449 1 18 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.354 0.546 25448 9450 1 18 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.387 -0.621 25448 9451 1 18 . 1 1 83 83 GLU N N 83 118.940 118.940 118.086 0.854 25448 9452 1 18 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.037 0.116 25448 9453 1 18 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.217 -0.347 25448 9454 1 18 . 1 1 83 83 GLU CB C 83 32.422 32.422 31.109 1.313 25448 9455 1 18 . 1 1 83 83 GLU H H 83 7.476 7.476 7.605 -0.129 25448 9456 1 18 . 1 1 84 84 TYR N N 84 119.225 119.225 117.939 1.286 25448 9457 1 18 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.755 0.011 25448 9458 1 18 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.209 -1.286 25448 9459 1 18 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.884 1.340 25448 9460 1 18 . 1 1 84 84 TYR H H 84 8.207 8.207 8.225 -0.018 25448 9461 1 18 . 1 1 85 85 GLN N N 85 119.667 119.667 121.867 -2.200 25448 9462 1 18 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.488 0.310 25448 9463 1 18 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.538 -1.335 25448 9464 1 18 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.276 1.090 25448 9465 1 18 . 1 1 85 85 GLN H H 85 8.264 8.264 8.858 -0.594 25448 9466 1 18 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.448 -0.026 25448 9467 1 18 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.773 -1.162 25448 9468 1 18 . 1 1 86 86 PRO CB C 86 31.850 31.850 31.989 -0.139 25448 9469 1 18 . 1 1 87 87 ARG N N 87 121.150 121.150 125.062 -3.912 25448 9470 1 18 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.716 -0.311 25448 9471 1 18 . 1 1 87 87 ARG CA C 87 55.600 55.600 53.271 2.329 25448 9472 1 18 . 1 1 87 87 ARG CB C 87 29.301 29.301 30.280 -0.979 25448 9473 1 18 . 1 1 87 87 ARG H H 87 8.254 8.254 8.274 -0.020 25448 9474 1 18 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.508 -0.061 25448 9475 1 18 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.719 0.260 25448 9476 1 18 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.268 0.002 25448 9477 1 18 . 1 1 89 89 VAL N N 89 125.682 125.682 126.474 -0.792 25448 9478 1 18 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.596 -0.095 25448 9479 1 18 . 1 1 89 89 VAL CA C 89 67.411 67.411 66.130 1.281 25448 9480 1 18 . 1 1 89 89 VAL CB C 89 31.635 31.635 31.594 0.041 25448 9481 1 18 . 1 1 89 89 VAL H H 89 8.678 8.678 8.630 0.048 25448 9482 1 18 . 1 1 90 90 GLU N N 90 117.092 117.092 119.389 -2.297 25448 9483 1 18 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.075 -0.048 25448 9484 1 18 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.466 0.549 25448 9485 1 18 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.800 -0.167 25448 9486 1 18 . 1 1 90 90 GLU H H 90 9.318 9.318 8.948 0.370 25448 9487 1 18 . 1 1 91 91 VAL N N 91 119.967 119.967 120.240 -0.273 25448 9488 1 18 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.748 0.116 25448 9489 1 18 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.645 -0.645 25448 9490 1 18 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.690 0.211 25448 9491 1 18 . 1 1 91 91 VAL H H 91 7.153 7.153 7.668 -0.515 25448 9492 1 18 . 1 1 92 92 ILE N N 92 122.669 122.669 121.853 0.816 25448 9493 1 18 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.845 -0.535 25448 9494 1 18 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.567 1.144 25448 9495 1 18 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.853 0.709 25448 9496 1 18 . 1 1 92 92 ILE H H 92 8.004 8.004 7.499 0.505 25448 9497 1 18 . 1 1 93 93 ILE N N 93 115.049 115.049 120.173 -5.124 25448 9498 1 18 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.602 -0.070 25448 9499 1 18 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.716 -0.631 25448 9500 1 18 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.507 -0.344 25448 9501 1 18 . 1 1 93 93 ILE H H 93 8.305 8.305 8.381 -0.076 25448 9502 1 18 . 1 1 94 94 SER N N 94 115.196 115.196 116.872 -1.676 25448 9503 1 18 . 1 1 94 94 SER HA H 94 4.101 4.101 4.088 0.013 25448 9504 1 18 . 1 1 94 94 SER CA C 94 62.300 62.300 62.485 -0.185 25448 9505 1 18 . 1 1 94 94 SER H H 94 7.927 7.927 8.201 -0.274 25448 9506 1 18 . 1 1 95 95 SER N N 95 117.891 117.891 119.075 -1.184 25448 9507 1 18 . 1 1 95 95 SER HA H 95 4.209 4.209 4.175 0.034 25448 9508 1 18 . 1 1 95 95 SER CA C 95 62.100 62.100 61.861 0.239 25448 9509 1 18 . 1 1 95 95 SER CB C 95 62.714 62.714 62.801 -0.087 25448 9510 1 18 . 1 1 95 95 SER H H 95 8.174 8.174 8.369 -0.195 25448 9511 1 18 . 1 1 96 96 ALA N N 96 123.830 123.830 124.449 -0.619 25448 9512 1 18 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.048 -0.157 25448 9513 1 18 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.447 -0.171 25448 9514 1 18 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.281 1.667 25448 9515 1 18 . 1 1 96 96 ALA H H 96 8.110 8.110 8.322 -0.212 25448 9516 1 18 . 1 1 97 97 LYS N N 97 115.893 115.893 117.690 -1.797 25448 9517 1 18 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.963 -0.155 25448 9518 1 18 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.563 0.786 25448 9519 1 18 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.391 0.307 25448 9520 1 18 . 1 1 97 97 LYS H H 97 8.218 8.218 8.201 0.017 25448 9521 1 18 . 1 1 98 98 GLU N N 98 117.006 117.006 116.650 0.356 25448 9522 1 18 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.105 0.035 25448 9523 1 18 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.084 0.138 25448 9524 1 18 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.709 0.067 25448 9525 1 18 . 1 1 98 98 GLU H H 98 7.474 7.474 8.089 -0.615 25448 9526 1 18 . 1 1 99 99 MET N N 99 114.572 114.572 117.152 -2.580 25448 9527 1 18 . 1 1 99 99 MET HA H 99 4.533 4.533 4.336 0.197 25448 9528 1 18 . 1 1 99 99 MET CA C 99 55.292 55.292 56.210 -0.918 25448 9529 1 18 . 1 1 99 99 MET CB C 99 33.777 33.777 33.350 0.427 25448 9530 1 18 . 1 1 99 99 MET H H 99 7.378 7.378 8.143 -0.765 25448 9531 1 18 . 1 1 100 100 VAL N N 100 119.104 119.104 118.401 0.703 25448 9532 1 18 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.641 -0.375 25448 9533 1 18 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.290 0.757 25448 9534 1 18 . 1 1 100 100 VAL CB C 100 31.325 31.325 30.989 0.336 25448 9535 1 18 . 1 1 100 100 VAL H H 100 7.056 7.056 8.110 -1.054 25448 9536 1 18 . 1 1 101 101 GLY N N 101 116.779 116.779 114.690 2.089 25448 9537 1 18 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.720 -0.069 25448 9538 1 18 . 1 1 101 101 GLY H H 101 8.979 8.979 8.774 0.205 25448 9539 1 18 . 1 1 102 102 GLN N N 102 119.990 119.990 120.962 -0.972 25448 9540 1 18 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.354 -0.157 25448 9541 1 18 . 1 1 102 102 GLN C C 102 174.994 174.994 175.343 -0.349 25448 9542 1 18 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.572 1.091 25448 9543 1 18 . 1 1 102 102 GLN CB C 102 28.936 28.936 29.907 -0.970 25448 9544 1 18 . 1 1 102 102 GLN H H 102 8.103 8.103 8.068 0.035 25448 9545 1 18 . 1 1 103 103 LYS N N 103 120.261 120.261 122.898 -2.637 25448 9546 1 18 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.081 0.185 25448 9547 1 18 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.511 -0.869 25448 9548 1 18 . 1 1 103 103 LYS CB C 103 34.196 34.196 34.296 -0.100 25448 9549 1 18 . 1 1 103 103 LYS H H 103 8.310 8.310 8.444 -0.134 25448 9550 1 18 . 1 1 104 104 MET N N 104 119.868 119.868 122.568 -2.700 25448 9551 1 18 . 1 1 104 104 MET HA H 104 4.692 4.692 4.850 -0.158 25448 9552 1 18 . 1 1 104 104 MET CA C 104 54.276 54.276 52.596 1.680 25448 9553 1 18 . 1 1 104 104 MET CB C 104 36.831 36.831 35.465 1.366 25448 9554 1 18 . 1 1 104 104 MET H H 104 8.556 8.556 9.149 -0.593 25448 9555 1 18 . 1 1 105 105 LYS N N 105 120.932 120.932 123.067 -2.135 25448 9556 1 18 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.165 0.201 25448 9557 1 18 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.622 0.478 25448 9558 1 18 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.633 0.257 25448 9559 1 18 . 1 1 105 105 LYS H H 105 8.257 8.257 8.364 -0.107 25448 9560 1 18 . 1 1 106 106 TYR N N 106 122.600 122.600 121.991 0.609 25448 9561 1 18 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.470 -0.052 25448 9562 1 18 . 1 1 106 106 TYR CA C 106 56.726 56.726 58.554 -1.828 25448 9563 1 18 . 1 1 106 106 TYR CB C 106 38.561 38.561 38.715 -0.154 25448 9564 1 18 . 1 1 106 106 TYR H H 106 8.378 8.378 8.237 0.141 25448 9565 1 18 . 1 1 107 107 SER N N 107 116.904 116.904 119.030 -2.126 25448 9566 1 18 . 1 1 107 107 SER CA C 107 56.717 56.717 57.158 -0.441 25448 9567 1 18 . 1 1 107 107 SER CB C 107 63.983 63.983 63.946 0.037 25448 9568 1 18 . 1 1 107 107 SER H H 107 8.044 8.044 7.694 0.350 25448 9569 1 18 . 1 1 109 109 VAL HA H 109 4.013 4.013 4.467 -0.454 25448 9570 1 18 . 1 1 109 109 VAL CA C 109 64.307 64.307 60.173 4.134 25448 9571 1 18 . 1 1 109 109 VAL CB C 109 32.000 32.000 34.447 -2.447 25448 9572 1 18 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.483 -0.111 25448 9573 1 18 . 1 1 111 111 ARG CA C 111 57.100 57.100 56.666 0.434 25448 9574 1 18 . 1 1 111 111 ARG CB C 111 28.110 28.110 31.132 -3.022 25448 9575 1 18 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.516 -0.028 25448 9576 1 18 . 1 1 113 113 CYS CA C 113 61.609 61.609 62.218 -0.609 25448 9577 1 18 . 1 1 113 113 CYS CB C 113 26.800 26.800 29.043 -2.243 25448 9578 1 18 . 1 1 114 114 GLU N N 114 125.287 125.287 122.285 3.002 25448 9579 1 18 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.431 0.008 25448 9580 1 18 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.223 -0.554 25448 9581 1 18 . 1 1 114 114 GLU CB C 114 30.058 30.058 26.877 3.181 25448 9582 1 18 . 1 1 114 114 GLU H H 114 7.720 7.720 7.735 -0.015 25448 9583 1 18 . 1 1 115 115 HIS N N 115 119.008 119.008 121.057 -2.049 25448 9584 1 18 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.178 0.219 25448 9585 1 18 . 1 1 115 115 HIS CA C 115 58.460 58.460 59.169 -0.709 25448 9586 1 18 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.507 0.554 25448 9587 1 18 . 1 1 115 115 HIS H H 115 8.051 8.051 8.242 -0.191 25448 9588 1 18 . 1 1 116 116 PHE N N 116 117.059 117.059 120.520 -3.461 25448 9589 1 18 . 1 1 116 116 PHE HA H 116 4.348 4.348 3.981 0.367 25448 9590 1 18 . 1 1 116 116 PHE CA C 116 61.077 61.077 61.001 0.076 25448 9591 1 18 . 1 1 116 116 PHE CB C 116 39.598 39.598 39.041 0.557 25448 9592 1 18 . 1 1 116 116 PHE H H 116 8.168 8.168 7.984 0.184 25448 9593 1 18 . 1 1 117 117 VAL N N 117 107.857 107.857 115.464 -7.607 25448 9594 1 18 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.236 0.629 25448 9595 1 18 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.239 -0.647 25448 9596 1 18 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.185 -0.612 25448 9597 1 18 . 1 1 117 117 VAL H H 117 7.080 7.080 8.255 -1.175 25448 9598 1 18 . 1 1 118 118 THR N N 118 117.382 117.382 117.723 -0.341 25448 9599 1 18 . 1 1 118 118 THR HA H 118 4.046 4.046 3.839 0.207 25448 9600 1 18 . 1 1 118 118 THR CA C 118 66.745 66.745 67.123 -0.378 25448 9601 1 18 . 1 1 118 118 THR CB C 118 68.185 68.185 68.462 -0.277 25448 9602 1 18 . 1 1 118 118 THR H H 118 8.465 8.465 8.110 0.355 25448 9603 1 18 . 1 1 119 119 GLN N N 119 121.900 121.900 120.709 1.191 25448 9604 1 18 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.060 -0.175 25448 9605 1 18 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.835 0.167 25448 9606 1 18 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.367 -0.756 25448 9607 1 18 . 1 1 119 119 GLN H H 119 8.074 8.074 7.484 0.590 25448 9608 1 18 . 1 1 120 120 LEU N N 120 117.899 117.899 118.474 -0.575 25448 9609 1 18 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.913 -0.078 25448 9610 1 18 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.796 -0.369 25448 9611 1 18 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.241 0.993 25448 9612 1 18 . 1 1 120 120 LEU H H 120 6.829 6.829 7.393 -0.564 25448 9613 1 18 . 1 1 121 121 ARG N N 121 117.250 117.250 117.973 -0.723 25448 9614 1 18 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.065 -0.145 25448 9615 1 18 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.750 0.293 25448 9616 1 18 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.711 -0.455 25448 9617 1 18 . 1 1 121 121 ARG H H 121 7.677 7.677 7.523 0.154 25448 9618 1 18 . 1 1 122 122 TYR N N 122 111.508 111.508 120.796 -9.288 25448 9619 1 18 . 1 1 122 122 TYR HA H 122 4.640 4.640 3.875 0.765 25448 9620 1 18 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.161 -1.639 25448 9621 1 18 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.360 1.314 25448 9622 1 18 . 1 1 122 122 TYR H H 122 8.114 8.114 8.725 -0.611 25448 9623 1 18 . 1 1 123 123 GLY N N 123 109.399 109.399 105.421 3.978 25448 9624 1 18 . 1 1 123 123 GLY CA C 123 45.341 45.341 43.983 1.358 25448 9625 1 18 . 1 1 123 123 GLY H H 123 8.032 8.032 7.586 0.446 25448 9626 1 18 . 1 1 124 124 LYS N N 124 117.936 117.936 120.050 -2.114 25448 9627 1 18 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.021 0.331 25448 9628 1 18 . 1 1 124 124 LYS CA C 124 55.200 55.200 55.493 -0.293 25448 9629 1 18 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.463 1.535 25448 9630 1 18 . 1 1 124 124 LYS H H 124 7.402 7.402 7.308 0.094 25448 9631 1 19 . 1 1 3 3 SER N N 3 113.812 113.812 117.440 -3.628 25448 9632 1 19 . 1 1 3 3 SER HA H 3 4.697 4.697 4.566 0.131 25448 9633 1 19 . 1 1 3 3 SER CA C 3 58.996 58.996 57.113 1.883 25448 9634 1 19 . 1 1 3 3 SER CB C 3 63.800 63.800 63.233 0.568 25448 9635 1 19 . 1 1 3 3 SER H H 3 7.587 7.587 7.923 -0.336 25448 9636 1 19 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.652 -0.239 25448 9637 1 19 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.170 0.184 25448 9638 1 19 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.380 -0.480 25448 9639 1 19 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.967 -0.410 25448 9640 1 19 . 1 1 5 5 HIS CA C 5 56.230 56.230 55.668 0.562 25448 9641 1 19 . 1 1 5 5 HIS CB C 5 30.500 30.500 32.199 -1.699 25448 9642 1 19 . 1 1 5 5 HIS H H 5 6.984 6.984 8.698 -1.714 25448 9643 1 19 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.639 -0.351 25448 9644 1 19 . 1 1 6 6 GLN CA C 6 55.174 55.174 55.428 -0.254 25448 9645 1 19 . 1 1 6 6 GLN CB C 6 30.042 30.042 31.366 -1.324 25448 9646 1 19 . 1 1 7 7 GLU N N 7 124.477 124.477 122.827 1.650 25448 9647 1 19 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.663 -0.174 25448 9648 1 19 . 1 1 7 7 GLU CA C 7 54.111 54.111 54.280 -0.169 25448 9649 1 19 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.569 -1.657 25448 9650 1 19 . 1 1 7 7 GLU H H 7 8.353 8.353 8.402 -0.049 25448 9651 1 19 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.518 -0.174 25448 9652 1 19 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.445 -0.047 25448 9653 1 19 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.304 -0.904 25448 9654 1 19 . 1 1 9 9 LYS N N 9 122.328 122.328 120.743 1.585 25448 9655 1 19 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.827 0.046 25448 9656 1 19 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.851 0.300 25448 9657 1 19 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.598 -1.459 25448 9658 1 19 . 1 1 9 9 LYS H H 9 9.336 9.336 8.931 0.405 25448 9659 1 19 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.387 -0.464 25448 9660 1 19 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.394 0.140 25448 9661 1 19 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.488 0.141 25448 9662 1 19 . 1 1 11 11 GLY N N 11 112.758 112.758 114.664 -1.906 25448 9663 1 19 . 1 1 11 11 GLY CA C 11 45.182 45.182 45.097 0.085 25448 9664 1 19 . 1 1 11 11 GLY H H 11 9.359 9.359 9.193 0.166 25448 9665 1 19 . 1 1 12 12 ASP N N 12 120.500 120.500 123.377 -2.877 25448 9666 1 19 . 1 1 12 12 ASP HA H 12 4.870 4.870 5.072 -0.202 25448 9667 1 19 . 1 1 12 12 ASP CA C 12 55.211 55.211 54.715 0.496 25448 9668 1 19 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.408 1.538 25448 9669 1 19 . 1 1 12 12 ASP H H 12 8.277 8.277 8.030 0.247 25448 9670 1 19 . 1 1 13 13 LEU N N 13 119.594 119.594 122.871 -3.277 25448 9671 1 19 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.850 0.127 25448 9672 1 19 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.340 -0.351 25448 9673 1 19 . 1 1 13 13 LEU CB C 13 41.198 41.198 41.303 -0.105 25448 9674 1 19 . 1 1 13 13 LEU H H 13 9.103 9.103 9.159 -0.056 25448 9675 1 19 . 1 1 14 14 ILE N N 14 121.352 121.352 125.047 -3.695 25448 9676 1 19 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.698 -0.088 25448 9677 1 19 . 1 1 14 14 ILE CA C 14 58.178 58.178 60.463 -2.285 25448 9678 1 19 . 1 1 14 14 ILE CB C 14 39.213 39.213 40.154 -0.941 25448 9679 1 19 . 1 1 14 14 ILE H H 14 9.221 9.221 9.414 -0.193 25448 9680 1 19 . 1 1 15 15 GLU N N 15 129.555 129.555 127.919 1.636 25448 9681 1 19 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.603 -1.385 25448 9682 1 19 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.374 0.074 25448 9683 1 19 . 1 1 15 15 GLU CB C 15 31.783 31.783 32.596 -0.813 25448 9684 1 19 . 1 1 15 15 GLU H H 15 8.625 8.625 9.187 -0.562 25448 9685 1 19 . 1 1 16 16 ILE N N 16 125.258 125.258 125.252 0.006 25448 9686 1 19 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.565 -0.456 25448 9687 1 19 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.605 0.895 25448 9688 1 19 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.497 -0.096 25448 9689 1 19 . 1 1 16 16 ILE H H 16 8.557 8.557 8.478 0.079 25448 9690 1 19 . 1 1 17 17 PHE N N 17 127.058 127.058 126.404 0.654 25448 9691 1 19 . 1 1 17 17 PHE HA H 17 4.502 4.502 5.012 -0.510 25448 9692 1 19 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.660 2.279 25448 9693 1 19 . 1 1 17 17 PHE CB C 17 37.496 37.496 41.239 -3.744 25448 9694 1 19 . 1 1 17 17 PHE H H 17 8.500 8.500 9.107 -0.607 25448 9695 1 19 . 1 1 18 18 ARG N N 18 124.569 124.569 120.369 4.200 25448 9696 1 19 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.833 -0.183 25448 9697 1 19 . 1 1 18 18 ARG CA C 18 54.596 54.596 54.175 0.421 25448 9698 1 19 . 1 1 18 18 ARG CB C 18 30.206 30.206 34.184 -3.978 25448 9699 1 19 . 1 1 18 18 ARG H H 18 7.686 7.686 8.930 -1.244 25448 9700 1 19 . 1 1 19 19 LEU N N 19 121.049 121.049 122.713 -1.664 25448 9701 1 19 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.207 0.217 25448 9702 1 19 . 1 1 19 19 LEU CA C 19 56.123 56.123 55.550 0.573 25448 9703 1 19 . 1 1 19 19 LEU CB C 19 40.296 40.296 41.142 -0.846 25448 9704 1 19 . 1 1 19 19 LEU H H 19 8.103 8.103 8.636 -0.533 25448 9705 1 19 . 1 1 20 20 GLY N N 20 115.623 115.623 114.330 1.293 25448 9706 1 19 . 1 1 20 20 GLY CA C 20 45.736 45.736 45.046 0.690 25448 9707 1 19 . 1 1 20 20 GLY H H 20 8.686 8.686 8.702 -0.016 25448 9708 1 19 . 1 1 21 21 TYR N N 21 115.905 115.905 117.925 -2.020 25448 9709 1 19 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.703 0.057 25448 9710 1 19 . 1 1 21 21 TYR CA C 21 56.507 56.507 56.791 -0.284 25448 9711 1 19 . 1 1 21 21 TYR CB C 21 38.631 38.631 41.682 -3.051 25448 9712 1 19 . 1 1 21 21 TYR H H 21 7.433 7.433 7.519 -0.086 25448 9713 1 19 . 1 1 22 22 GLU N N 22 116.649 116.649 118.641 -1.992 25448 9714 1 19 . 1 1 22 22 GLU HA H 22 5.160 5.160 5.225 -0.065 25448 9715 1 19 . 1 1 22 22 GLU CA C 22 56.255 56.255 54.695 1.560 25448 9716 1 19 . 1 1 22 22 GLU CB C 22 32.167 32.167 32.983 -0.816 25448 9717 1 19 . 1 1 22 22 GLU H H 22 8.139 8.139 8.672 -0.533 25448 9718 1 19 . 1 1 23 23 HIS N N 23 122.171 122.171 117.730 4.441 25448 9719 1 19 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.806 0.782 25448 9720 1 19 . 1 1 23 23 HIS CA C 23 54.161 54.161 55.123 -0.962 25448 9721 1 19 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.403 0.967 25448 9722 1 19 . 1 1 23 23 HIS H H 23 8.943 8.943 8.389 0.554 25448 9723 1 19 . 1 1 24 24 TRP N N 24 124.412 124.412 118.164 6.248 25448 9724 1 19 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.630 0.067 25448 9725 1 19 . 1 1 24 24 TRP CA C 24 55.906 55.906 55.868 0.038 25448 9726 1 19 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.672 -1.516 25448 9727 1 19 . 1 1 24 24 TRP H H 24 6.764 6.764 7.859 -1.095 25448 9728 1 19 . 1 1 25 25 ALA N N 25 121.149 121.149 120.582 0.567 25448 9729 1 19 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.159 -0.298 25448 9730 1 19 . 1 1 25 25 ALA CA C 25 50.352 50.352 51.185 -0.833 25448 9731 1 19 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.293 -0.340 25448 9732 1 19 . 1 1 25 25 ALA H H 25 9.336 9.336 9.175 0.161 25448 9733 1 19 . 1 1 26 26 LEU N N 26 122.472 122.472 122.528 -0.056 25448 9734 1 19 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.362 -0.102 25448 9735 1 19 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.757 0.884 25448 9736 1 19 . 1 1 26 26 LEU CB C 26 45.421 45.421 44.118 1.303 25448 9737 1 19 . 1 1 26 26 LEU H H 26 8.835 8.835 9.044 -0.209 25448 9738 1 19 . 1 1 27 27 TYR N N 27 128.215 128.215 128.951 -0.736 25448 9739 1 19 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.725 0.027 25448 9740 1 19 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.489 1.313 25448 9741 1 19 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.917 -1.247 25448 9742 1 19 . 1 1 27 27 TYR H H 27 9.750 9.750 9.216 0.534 25448 9743 1 19 . 1 1 28 28 ILE N N 28 119.796 119.796 122.024 -2.228 25448 9744 1 19 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.527 0.046 25448 9745 1 19 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.298 0.520 25448 9746 1 19 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.053 -0.152 25448 9747 1 19 . 1 1 28 28 ILE H H 28 8.196 8.196 8.054 0.142 25448 9748 1 19 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.382 -0.382 25448 9749 1 19 . 1 1 29 29 GLY H H 29 6.584 6.584 6.810 -0.226 25448 9750 1 19 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.346 0.076 25448 9751 1 19 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.054 0.586 25448 9752 1 19 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.332 -0.079 25448 9753 1 19 . 1 1 30 30 ASP H H 30 6.837 6.837 8.885 -2.048 25448 9754 1 19 . 1 1 31 31 GLY N N 31 124.953 124.953 102.459 22.494 25448 9755 1 19 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.208 0.330 25448 9756 1 19 . 1 1 31 31 GLY H H 31 8.120 8.120 7.884 0.236 25448 9757 1 19 . 1 1 32 32 TYR N N 32 120.196 120.196 120.970 -0.774 25448 9758 1 19 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.005 -0.075 25448 9759 1 19 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.660 0.128 25448 9760 1 19 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.563 1.431 25448 9761 1 19 . 1 1 32 32 TYR H H 32 7.843 7.843 7.643 0.200 25448 9762 1 19 . 1 1 33 33 VAL N N 33 109.892 109.892 113.453 -3.561 25448 9763 1 19 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.191 0.275 25448 9764 1 19 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.411 -1.951 25448 9765 1 19 . 1 1 33 33 VAL CB C 33 35.157 35.157 36.083 -0.926 25448 9766 1 19 . 1 1 33 33 VAL H H 33 9.242 9.242 9.316 -0.074 25448 9767 1 19 . 1 1 34 34 ILE N N 34 119.424 119.424 121.576 -2.152 25448 9768 1 19 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.334 0.221 25448 9769 1 19 . 1 1 34 34 ILE CA C 34 60.331 60.331 60.006 0.325 25448 9770 1 19 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.429 0.503 25448 9771 1 19 . 1 1 34 34 ILE H H 34 9.084 9.084 9.001 0.083 25448 9772 1 19 . 1 1 35 35 HIS N N 35 123.118 123.118 120.853 2.265 25448 9773 1 19 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.392 -0.234 25448 9774 1 19 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.737 -0.519 25448 9775 1 19 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.172 2.828 25448 9776 1 19 . 1 1 35 35 HIS H H 35 9.110 9.110 9.124 -0.014 25448 9777 1 19 . 1 1 36 36 LEU N N 36 123.704 123.704 120.764 2.940 25448 9778 1 19 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.838 -0.754 25448 9779 1 19 . 1 1 36 36 LEU CA C 36 53.682 53.682 54.124 -0.442 25448 9780 1 19 . 1 1 36 36 LEU CB C 36 41.631 41.631 44.105 -2.474 25448 9781 1 19 . 1 1 36 36 LEU H H 36 8.991 8.991 8.983 0.008 25448 9782 1 19 . 1 1 37 37 ALA N N 37 129.765 129.765 126.246 3.519 25448 9783 1 19 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.942 -0.616 25448 9784 1 19 . 1 1 37 37 ALA CA C 37 49.698 49.698 48.767 0.932 25448 9785 1 19 . 1 1 37 37 ALA CB C 37 19.428 19.428 19.991 -0.563 25448 9786 1 19 . 1 1 37 37 ALA H H 37 8.050 8.050 8.782 -0.732 25448 9787 1 19 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.749 -0.745 25448 9788 1 19 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.347 -0.547 25448 9789 1 19 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.972 -1.444 25448 9790 1 19 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.293 0.081 25448 9791 1 19 . 1 1 39 39 PRO CA C 39 62.900 62.900 63.911 -1.011 25448 9792 1 19 . 1 1 39 39 PRO CB C 39 32.000 32.000 31.546 0.454 25448 9793 1 19 . 1 1 40 40 SER N N 40 114.906 114.906 109.703 5.203 25448 9794 1 19 . 1 1 40 40 SER HA H 40 4.326 4.326 3.837 0.489 25448 9795 1 19 . 1 1 40 40 SER CA C 40 58.700 58.700 59.651 -0.951 25448 9796 1 19 . 1 1 40 40 SER CB C 40 64.004 64.004 61.784 2.220 25448 9797 1 19 . 1 1 40 40 SER H H 40 8.184 8.184 7.677 0.507 25448 9798 1 19 . 1 1 41 41 GLU N N 41 121.221 121.221 119.148 2.073 25448 9799 1 19 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.348 -0.087 25448 9800 1 19 . 1 1 41 41 GLU CA C 41 56.424 56.424 54.865 1.559 25448 9801 1 19 . 1 1 41 41 GLU CB C 41 30.514 30.514 31.150 -0.636 25448 9802 1 19 . 1 1 41 41 GLU H H 41 8.401 8.401 7.574 0.827 25448 9803 1 19 . 1 1 42 42 TYR N N 42 121.900 121.900 124.362 -2.462 25448 9804 1 19 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.685 0.095 25448 9805 1 19 . 1 1 42 42 TYR CA C 42 55.700 55.700 60.237 -4.537 25448 9806 1 19 . 1 1 42 42 TYR CB C 42 38.400 38.400 36.996 1.404 25448 9807 1 19 . 1 1 42 42 TYR H H 42 8.117 8.117 8.508 -0.391 25448 9808 1 19 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.536 -0.133 25448 9809 1 19 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.536 0.944 25448 9810 1 19 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.518 -0.718 25448 9811 1 19 . 1 1 44 44 GLY N N 44 109.030 109.030 106.629 2.401 25448 9812 1 19 . 1 1 44 44 GLY CA C 44 45.244 45.244 46.024 -0.780 25448 9813 1 19 . 1 1 44 44 GLY H H 44 8.001 8.001 8.698 -0.697 25448 9814 1 19 . 1 1 45 45 ALA N N 45 123.500 123.500 120.488 3.012 25448 9815 1 19 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.505 -0.193 25448 9816 1 19 . 1 1 45 45 ALA CA C 45 52.853 52.853 51.451 1.402 25448 9817 1 19 . 1 1 45 45 ALA CB C 45 19.322 19.322 20.073 -0.751 25448 9818 1 19 . 1 1 45 45 ALA H H 45 8.082 8.082 7.203 0.879 25448 9819 1 19 . 1 1 46 46 GLY N N 46 108.151 108.151 105.506 2.645 25448 9820 1 19 . 1 1 46 46 GLY CA C 46 45.460 45.460 44.267 1.193 25448 9821 1 19 . 1 1 46 46 GLY H H 46 8.408 8.408 8.334 0.074 25448 9822 1 19 . 1 1 48 48 SER N N 48 116.904 116.904 116.583 0.321 25448 9823 1 19 . 1 1 48 48 SER HA H 48 4.700 4.700 4.538 0.162 25448 9824 1 19 . 1 1 48 48 SER H H 48 8.044 8.044 8.335 -0.291 25448 9825 1 19 . 1 1 49 49 SER HA H 49 4.456 4.456 4.418 0.038 25448 9826 1 19 . 1 1 49 49 SER CA C 49 58.713 58.713 59.874 -1.161 25448 9827 1 19 . 1 1 49 49 SER CB C 49 64.000 64.000 63.111 0.888 25448 9828 1 19 . 1 1 50 50 VAL N N 50 120.352 120.352 122.430 -2.078 25448 9829 1 19 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.972 0.061 25448 9830 1 19 . 1 1 50 50 VAL CA C 50 62.816 62.816 65.349 -2.533 25448 9831 1 19 . 1 1 50 50 VAL CB C 50 32.416 32.416 31.840 0.576 25448 9832 1 19 . 1 1 50 50 VAL H H 50 7.890 7.890 8.305 -0.415 25448 9833 1 19 . 1 1 51 51 PHE N N 51 121.600 121.600 118.585 3.015 25448 9834 1 19 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.350 0.226 25448 9835 1 19 . 1 1 51 51 PHE CA C 51 58.198 58.198 60.362 -2.164 25448 9836 1 19 . 1 1 51 51 PHE CB C 51 39.470 39.470 39.555 -0.085 25448 9837 1 19 . 1 1 51 51 PHE H H 51 7.989 7.989 7.754 0.235 25448 9838 1 19 . 1 1 52 52 SER N N 52 116.521 116.521 113.896 2.625 25448 9839 1 19 . 1 1 52 52 SER HA H 52 4.429 4.429 4.393 0.036 25448 9840 1 19 . 1 1 52 52 SER C C 52 174.445 174.445 174.355 0.090 25448 9841 1 19 . 1 1 52 52 SER CA C 52 58.365 58.365 60.292 -1.927 25448 9842 1 19 . 1 1 52 52 SER CB C 52 64.018 64.018 64.433 -0.415 25448 9843 1 19 . 1 1 52 52 SER H H 52 8.018 8.018 7.708 0.310 25448 9844 1 19 . 1 1 53 53 VAL N N 53 120.571 120.571 119.769 0.802 25448 9845 1 19 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.244 -0.141 25448 9846 1 19 . 1 1 53 53 VAL CA C 53 62.979 62.979 61.299 1.680 25448 9847 1 19 . 1 1 53 53 VAL CB C 53 32.416 32.416 34.413 -1.997 25448 9848 1 19 . 1 1 53 53 VAL H H 53 7.959 7.959 8.071 -0.112 25448 9849 1 19 . 1 1 54 54 LEU N N 54 123.703 123.703 126.386 -2.683 25448 9850 1 19 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.706 -0.340 25448 9851 1 19 . 1 1 54 54 LEU CA C 54 55.500 55.500 53.992 1.508 25448 9852 1 19 . 1 1 54 54 LEU CB C 54 42.293 42.293 43.881 -1.588 25448 9853 1 19 . 1 1 54 54 LEU H H 54 8.095 8.095 8.208 -0.113 25448 9854 1 19 . 1 1 55 55 SER N N 55 115.309 115.309 115.141 0.168 25448 9855 1 19 . 1 1 55 55 SER HA H 55 4.399 4.399 4.224 0.175 25448 9856 1 19 . 1 1 55 55 SER CA C 55 58.365 58.365 58.735 -0.370 25448 9857 1 19 . 1 1 55 55 SER CB C 55 64.110 64.110 63.457 0.653 25448 9858 1 19 . 1 1 55 55 SER H H 55 8.063 8.063 8.528 -0.465 25448 9859 1 19 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.864 0.054 25448 9860 1 19 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.022 0.129 25448 9861 1 19 . 1 1 56 56 ASN CB C 56 39.339 39.339 40.465 -1.126 25448 9862 1 19 . 1 1 57 57 SER N N 57 115.102 115.102 115.314 -0.212 25448 9863 1 19 . 1 1 57 57 SER HA H 57 4.694 4.694 5.156 -0.462 25448 9864 1 19 . 1 1 57 57 SER CA C 57 58.307 58.307 57.654 0.653 25448 9865 1 19 . 1 1 57 57 SER CB C 57 64.838 64.838 65.857 -1.019 25448 9866 1 19 . 1 1 57 57 SER H H 57 8.065 8.065 8.599 -0.534 25448 9867 1 19 . 1 1 58 58 ALA N N 58 125.610 125.610 124.941 0.669 25448 9868 1 19 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.688 -0.194 25448 9869 1 19 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.627 0.654 25448 9870 1 19 . 1 1 58 58 ALA CB C 58 22.479 22.479 21.265 1.214 25448 9871 1 19 . 1 1 58 58 ALA H H 58 8.548 8.548 9.046 -0.498 25448 9872 1 19 . 1 1 59 59 GLU N N 59 120.190 120.190 121.298 -1.108 25448 9873 1 19 . 1 1 59 59 GLU HA H 59 5.033 5.033 4.888 0.145 25448 9874 1 19 . 1 1 59 59 GLU CA C 59 54.004 54.004 54.236 -0.231 25448 9875 1 19 . 1 1 59 59 GLU CB C 59 34.292 34.292 32.498 1.794 25448 9876 1 19 . 1 1 59 59 GLU H H 59 8.116 8.116 8.327 -0.211 25448 9877 1 19 . 1 1 60 60 VAL N N 60 125.380 125.380 126.139 -0.759 25448 9878 1 19 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.045 0.293 25448 9879 1 19 . 1 1 60 60 VAL CA C 60 62.784 62.784 62.869 -0.085 25448 9880 1 19 . 1 1 60 60 VAL CB C 60 30.756 30.756 30.667 0.089 25448 9881 1 19 . 1 1 60 60 VAL H H 60 8.531 8.531 8.841 -0.310 25448 9882 1 19 . 1 1 61 61 LYS N N 61 129.548 129.548 126.223 3.325 25448 9883 1 19 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.665 0.235 25448 9884 1 19 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.452 1.132 25448 9885 1 19 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.151 0.883 25448 9886 1 19 . 1 1 61 61 LYS H H 61 9.068 9.068 8.808 0.260 25448 9887 1 19 . 1 1 62 62 ARG N N 62 123.653 123.653 122.567 1.086 25448 9888 1 19 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.304 0.398 25448 9889 1 19 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.063 -0.677 25448 9890 1 19 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.185 -0.227 25448 9891 1 19 . 1 1 62 62 ARG H H 62 8.749 8.749 8.553 0.196 25448 9892 1 19 . 1 1 63 63 GLU N N 63 125.033 125.033 123.601 1.432 25448 9893 1 19 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.773 0.225 25448 9894 1 19 . 1 1 63 63 GLU CA C 63 54.878 54.878 55.204 -0.326 25448 9895 1 19 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.162 2.821 25448 9896 1 19 . 1 1 63 63 GLU H H 63 8.973 8.973 9.300 -0.327 25448 9897 1 19 . 1 1 64 64 ARG N N 64 121.855 121.855 119.776 2.079 25448 9898 1 19 . 1 1 64 64 ARG HA H 64 3.900 3.900 3.943 -0.043 25448 9899 1 19 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.752 0.148 25448 9900 1 19 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.287 -0.741 25448 9901 1 19 . 1 1 64 64 ARG H H 64 9.273 9.273 8.613 0.660 25448 9902 1 19 . 1 1 65 65 LEU N N 65 124.611 124.611 126.645 -2.034 25448 9903 1 19 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.867 -0.297 25448 9904 1 19 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.630 0.380 25448 9905 1 19 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.968 -0.245 25448 9906 1 19 . 1 1 65 65 LEU H H 65 8.823 8.823 8.879 -0.056 25448 9907 1 19 . 1 1 66 66 GLU N N 66 115.188 115.188 118.120 -2.932 25448 9908 1 19 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.782 0.053 25448 9909 1 19 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.640 0.014 25448 9910 1 19 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.644 0.516 25448 9911 1 19 . 1 1 66 66 GLU H H 66 9.360 9.360 8.831 0.529 25448 9912 1 19 . 1 1 67 67 ASP N N 67 118.590 118.590 118.631 -0.041 25448 9913 1 19 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.379 0.081 25448 9914 1 19 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.714 -0.147 25448 9915 1 19 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.440 0.230 25448 9916 1 19 . 1 1 67 67 ASP H H 67 6.806 6.806 8.132 -1.326 25448 9917 1 19 . 1 1 68 68 VAL N N 68 119.985 119.985 119.032 0.953 25448 9918 1 19 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.629 -0.013 25448 9919 1 19 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.183 -0.113 25448 9920 1 19 . 1 1 68 68 VAL CB C 68 32.167 32.167 32.002 0.165 25448 9921 1 19 . 1 1 68 68 VAL H H 68 7.414 7.414 7.886 -0.472 25448 9922 1 19 . 1 1 69 69 VAL N N 69 116.972 116.972 118.351 -1.379 25448 9923 1 19 . 1 1 69 69 VAL HA H 69 3.502 3.502 4.031 -0.529 25448 9924 1 19 . 1 1 69 69 VAL CA C 69 65.337 65.337 61.754 3.583 25448 9925 1 19 . 1 1 69 69 VAL CB C 69 32.036 32.036 32.084 -0.048 25448 9926 1 19 . 1 1 69 69 VAL H H 69 8.261 8.261 8.283 -0.022 25448 9927 1 19 . 1 1 70 70 GLY N N 70 107.311 107.311 107.768 -0.457 25448 9928 1 19 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.022 1.588 25448 9929 1 19 . 1 1 70 70 GLY H H 70 7.395 7.395 7.504 -0.109 25448 9930 1 19 . 1 1 71 71 GLY N N 71 110.582 110.582 113.657 -3.075 25448 9931 1 19 . 1 1 71 71 GLY CA C 71 45.176 45.176 45.373 -0.197 25448 9932 1 19 . 1 1 71 71 GLY H H 71 8.831 8.831 8.698 0.133 25448 9933 1 19 . 1 1 72 72 CYS N N 72 118.742 118.742 116.961 1.781 25448 9934 1 19 . 1 1 72 72 CYS HA H 72 4.498 4.498 5.060 -0.562 25448 9935 1 19 . 1 1 72 72 CYS CA C 72 60.154 60.154 57.713 2.441 25448 9936 1 19 . 1 1 72 72 CYS CB C 72 29.295 29.295 30.581 -1.286 25448 9937 1 19 . 1 1 72 72 CYS H H 72 7.613 7.613 7.714 -0.101 25448 9938 1 19 . 1 1 73 73 CYS N N 73 120.205 120.205 121.419 -1.214 25448 9939 1 19 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.966 -0.435 25448 9940 1 19 . 1 1 73 73 CYS CA C 73 59.792 59.792 57.977 1.815 25448 9941 1 19 . 1 1 73 73 CYS CB C 73 28.046 28.046 29.219 -1.173 25448 9942 1 19 . 1 1 73 73 CYS H H 73 9.007 9.007 8.893 0.114 25448 9943 1 19 . 1 1 74 74 TYR N N 74 119.008 119.008 120.058 -1.050 25448 9944 1 19 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.562 0.035 25448 9945 1 19 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.504 -0.914 25448 9946 1 19 . 1 1 74 74 TYR CB C 74 41.876 41.876 40.673 1.203 25448 9947 1 19 . 1 1 74 74 TYR H H 74 8.141 8.141 8.414 -0.273 25448 9948 1 19 . 1 1 75 75 ARG N N 75 115.457 115.457 120.501 -5.044 25448 9949 1 19 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.597 0.042 25448 9950 1 19 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.897 -0.902 25448 9951 1 19 . 1 1 75 75 ARG CB C 75 33.235 33.235 35.232 -1.997 25448 9952 1 19 . 1 1 75 75 ARG H H 75 9.008 9.008 9.128 -0.120 25448 9953 1 19 . 1 1 76 76 VAL N N 76 123.071 123.071 123.605 -0.534 25448 9954 1 19 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.609 -0.046 25448 9955 1 19 . 1 1 76 76 VAL CA C 76 62.968 62.968 62.118 0.850 25448 9956 1 19 . 1 1 76 76 VAL CB C 76 31.965 31.965 31.569 0.397 25448 9957 1 19 . 1 1 76 76 VAL H H 76 8.511 8.511 9.314 -0.803 25448 9958 1 19 . 1 1 77 77 ASN N N 77 126.125 126.125 127.807 -1.682 25448 9959 1 19 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.926 -0.071 25448 9960 1 19 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.273 -0.201 25448 9961 1 19 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.112 -0.472 25448 9962 1 19 . 1 1 77 77 ASN H H 77 8.824 8.824 8.969 -0.145 25448 9963 1 19 . 1 1 78 78 ASN N N 78 124.269 124.269 121.868 2.401 25448 9964 1 19 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.772 0.574 25448 9965 1 19 . 1 1 78 78 ASN CA C 78 52.124 52.124 53.226 -1.102 25448 9966 1 19 . 1 1 78 78 ASN CB C 78 36.948 36.948 37.119 -0.171 25448 9967 1 19 . 1 1 78 78 ASN H H 78 8.685 8.685 8.772 -0.087 25448 9968 1 19 . 1 1 79 79 SER N N 79 117.959 117.959 117.803 0.156 25448 9969 1 19 . 1 1 79 79 SER HA H 79 4.112 4.112 4.269 -0.157 25448 9970 1 19 . 1 1 79 79 SER CA C 79 62.669 62.669 60.818 1.851 25448 9971 1 19 . 1 1 79 79 SER CB C 79 63.727 63.727 63.516 0.211 25448 9972 1 19 . 1 1 79 79 SER H H 79 8.109 8.109 8.132 -0.023 25448 9973 1 19 . 1 1 80 80 LEU N N 80 121.272 121.272 120.321 0.951 25448 9974 1 19 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.240 0.230 25448 9975 1 19 . 1 1 80 80 LEU CA C 80 55.542 55.542 55.656 -0.114 25448 9976 1 19 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.363 0.137 25448 9977 1 19 . 1 1 80 80 LEU H H 80 7.947 7.947 8.138 -0.191 25448 9978 1 19 . 1 1 81 81 ASP N N 81 121.692 121.692 120.456 1.236 25448 9979 1 19 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.401 0.689 25448 9980 1 19 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.934 -0.330 25448 9981 1 19 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.020 -0.720 25448 9982 1 19 . 1 1 81 81 ASP H H 81 8.294 8.294 7.854 0.440 25448 9983 1 19 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.521 -0.066 25448 9984 1 19 . 1 1 82 82 HIS CA C 82 57.900 57.900 58.133 -0.233 25448 9985 1 19 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.439 -0.672 25448 9986 1 19 . 1 1 83 83 GLU N N 83 118.940 118.940 118.153 0.787 25448 9987 1 19 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.028 0.125 25448 9988 1 19 . 1 1 83 83 GLU CA C 83 56.870 56.870 56.924 -0.054 25448 9989 1 19 . 1 1 83 83 GLU CB C 83 32.422 32.422 30.996 1.426 25448 9990 1 19 . 1 1 83 83 GLU H H 83 7.476 7.476 7.774 -0.298 25448 9991 1 19 . 1 1 84 84 TYR N N 84 119.225 119.225 118.603 0.622 25448 9992 1 19 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.805 -0.039 25448 9993 1 19 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.422 -1.499 25448 9994 1 19 . 1 1 84 84 TYR CB C 84 41.224 41.224 40.083 1.141 25448 9995 1 19 . 1 1 84 84 TYR H H 84 8.207 8.207 7.961 0.246 25448 9996 1 19 . 1 1 85 85 GLN N N 85 119.667 119.667 119.992 -0.325 25448 9997 1 19 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.442 0.356 25448 9998 1 19 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.637 -1.434 25448 9999 1 19 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.227 1.139 25448 10000 1 19 . 1 1 85 85 GLN H H 85 8.264 8.264 8.602 -0.338 25448 10001 1 19 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.333 0.089 25448 10002 1 19 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.880 -1.269 25448 10003 1 19 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.020 -0.170 25448 10004 1 19 . 1 1 87 87 ARG N N 87 121.150 121.150 121.581 -0.431 25448 10005 1 19 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.704 -0.299 25448 10006 1 19 . 1 1 87 87 ARG CA C 87 55.600 55.600 53.136 2.464 25448 10007 1 19 . 1 1 87 87 ARG CB C 87 29.301 29.301 30.258 -0.957 25448 10008 1 19 . 1 1 87 87 ARG H H 87 8.254 8.254 8.355 -0.101 25448 10009 1 19 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.696 -0.249 25448 10010 1 19 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.579 0.400 25448 10011 1 19 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.600 -0.330 25448 10012 1 19 . 1 1 89 89 VAL N N 89 125.682 125.682 126.223 -0.541 25448 10013 1 19 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.621 -0.120 25448 10014 1 19 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.369 2.042 25448 10015 1 19 . 1 1 89 89 VAL CB C 89 31.635 31.635 32.143 -0.508 25448 10016 1 19 . 1 1 89 89 VAL H H 89 8.678 8.678 8.584 0.094 25448 10017 1 19 . 1 1 90 90 GLU N N 90 117.092 117.092 118.817 -1.725 25448 10018 1 19 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.086 -0.059 25448 10019 1 19 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.349 0.666 25448 10020 1 19 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.809 -0.176 25448 10021 1 19 . 1 1 90 90 GLU H H 90 9.318 9.318 8.823 0.495 25448 10022 1 19 . 1 1 91 91 VAL N N 91 119.967 119.967 119.873 0.094 25448 10023 1 19 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.774 0.090 25448 10024 1 19 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.562 -0.562 25448 10025 1 19 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.267 0.634 25448 10026 1 19 . 1 1 91 91 VAL H H 91 7.153 7.153 7.642 -0.489 25448 10027 1 19 . 1 1 92 92 ILE N N 92 122.669 122.669 121.751 0.918 25448 10028 1 19 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.948 -0.638 25448 10029 1 19 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.501 1.210 25448 10030 1 19 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.931 0.632 25448 10031 1 19 . 1 1 92 92 ILE H H 92 8.004 8.004 7.236 0.768 25448 10032 1 19 . 1 1 93 93 ILE N N 93 115.049 115.049 120.228 -5.179 25448 10033 1 19 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.616 -0.084 25448 10034 1 19 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.692 -0.607 25448 10035 1 19 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.601 -0.438 25448 10036 1 19 . 1 1 93 93 ILE H H 93 8.305 8.305 8.267 0.038 25448 10037 1 19 . 1 1 94 94 SER N N 94 115.196 115.196 116.205 -1.009 25448 10038 1 19 . 1 1 94 94 SER HA H 94 4.101 4.101 4.096 0.005 25448 10039 1 19 . 1 1 94 94 SER CA C 94 62.300 62.300 62.697 -0.397 25448 10040 1 19 . 1 1 94 94 SER H H 94 7.927 7.927 8.488 -0.560 25448 10041 1 19 . 1 1 95 95 SER N N 95 117.891 117.891 117.913 -0.022 25448 10042 1 19 . 1 1 95 95 SER HA H 95 4.209 4.209 4.146 0.063 25448 10043 1 19 . 1 1 95 95 SER CA C 95 62.100 62.100 61.618 0.482 25448 10044 1 19 . 1 1 95 95 SER CB C 95 62.714 62.714 62.886 -0.173 25448 10045 1 19 . 1 1 95 95 SER H H 95 8.174 8.174 8.097 0.077 25448 10046 1 19 . 1 1 96 96 ALA N N 96 123.830 123.830 124.037 -0.207 25448 10047 1 19 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.091 -0.200 25448 10048 1 19 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.419 -0.143 25448 10049 1 19 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.318 1.630 25448 10050 1 19 . 1 1 96 96 ALA H H 96 8.110 8.110 8.076 0.034 25448 10051 1 19 . 1 1 97 97 LYS N N 97 115.893 115.893 118.761 -2.868 25448 10052 1 19 . 1 1 97 97 LYS HA H 97 3.808 3.808 4.019 -0.211 25448 10053 1 19 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.159 1.190 25448 10054 1 19 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.460 0.238 25448 10055 1 19 . 1 1 97 97 LYS H H 97 8.218 8.218 8.253 -0.035 25448 10056 1 19 . 1 1 98 98 GLU N N 98 117.006 117.006 117.514 -0.508 25448 10057 1 19 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.064 0.076 25448 10058 1 19 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.783 -0.561 25448 10059 1 19 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.935 -0.159 25448 10060 1 19 . 1 1 98 98 GLU H H 98 7.474 7.474 8.224 -0.750 25448 10061 1 19 . 1 1 99 99 MET N N 99 114.572 114.572 115.441 -0.869 25448 10062 1 19 . 1 1 99 99 MET HA H 99 4.533 4.533 4.378 0.155 25448 10063 1 19 . 1 1 99 99 MET CA C 99 55.292 55.292 55.763 -0.471 25448 10064 1 19 . 1 1 99 99 MET CB C 99 33.777 33.777 33.234 0.543 25448 10065 1 19 . 1 1 99 99 MET H H 99 7.378 7.378 8.027 -0.649 25448 10066 1 19 . 1 1 100 100 VAL N N 100 119.104 119.104 118.454 0.650 25448 10067 1 19 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.491 -0.225 25448 10068 1 19 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.146 0.901 25448 10069 1 19 . 1 1 100 100 VAL CB C 100 31.325 31.325 30.713 0.612 25448 10070 1 19 . 1 1 100 100 VAL H H 100 7.056 7.056 8.119 -1.063 25448 10071 1 19 . 1 1 101 101 GLY N N 101 116.779 116.779 115.130 1.649 25448 10072 1 19 . 1 1 101 101 GLY CA C 101 44.651 44.651 45.128 -0.477 25448 10073 1 19 . 1 1 101 101 GLY H H 101 8.979 8.979 8.981 -0.002 25448 10074 1 19 . 1 1 102 102 GLN N N 102 119.990 119.990 121.188 -1.198 25448 10075 1 19 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.373 -0.176 25448 10076 1 19 . 1 1 102 102 GLN C C 102 174.994 174.994 174.994 0.000 25448 10077 1 19 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.020 1.643 25448 10078 1 19 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.470 -1.534 25448 10079 1 19 . 1 1 102 102 GLN H H 102 8.103 8.103 8.180 -0.077 25448 10080 1 19 . 1 1 103 103 LYS N N 103 120.261 120.261 120.907 -0.646 25448 10081 1 19 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.237 0.029 25448 10082 1 19 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.521 -0.879 25448 10083 1 19 . 1 1 103 103 LYS CB C 103 34.196 34.196 34.624 -0.429 25448 10084 1 19 . 1 1 103 103 LYS H H 103 8.310 8.310 8.371 -0.061 25448 10085 1 19 . 1 1 104 104 MET N N 104 119.868 119.868 122.151 -2.283 25448 10086 1 19 . 1 1 104 104 MET HA H 104 4.692 4.692 4.803 -0.111 25448 10087 1 19 . 1 1 104 104 MET CA C 104 54.276 54.276 53.107 1.169 25448 10088 1 19 . 1 1 104 104 MET CB C 104 36.831 36.831 35.676 1.155 25448 10089 1 19 . 1 1 104 104 MET H H 104 8.556 8.556 9.165 -0.609 25448 10090 1 19 . 1 1 105 105 LYS N N 105 120.932 120.932 121.449 -0.517 25448 10091 1 19 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.176 0.190 25448 10092 1 19 . 1 1 105 105 LYS CA C 105 57.100 57.100 57.368 -0.268 25448 10093 1 19 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.408 0.482 25448 10094 1 19 . 1 1 105 105 LYS H H 105 8.257 8.257 8.418 -0.161 25448 10095 1 19 . 1 1 106 106 TYR N N 106 122.600 122.600 126.516 -3.916 25448 10096 1 19 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.557 -0.139 25448 10097 1 19 . 1 1 106 106 TYR CA C 106 56.726 56.726 57.678 -0.952 25448 10098 1 19 . 1 1 106 106 TYR CB C 106 38.561 38.561 40.117 -1.556 25448 10099 1 19 . 1 1 106 106 TYR H H 106 8.378 8.378 7.962 0.416 25448 10100 1 19 . 1 1 107 107 SER N N 107 116.904 116.904 118.759 -1.855 25448 10101 1 19 . 1 1 107 107 SER CA C 107 56.717 56.717 58.144 -1.427 25448 10102 1 19 . 1 1 107 107 SER CB C 107 63.983 63.983 61.318 2.665 25448 10103 1 19 . 1 1 107 107 SER H H 107 8.044 8.044 8.032 0.012 25448 10104 1 19 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.574 0.439 25448 10105 1 19 . 1 1 109 109 VAL CA C 109 64.307 64.307 64.502 -0.196 25448 10106 1 19 . 1 1 109 109 VAL CB C 109 32.000 32.000 31.271 0.729 25448 10107 1 19 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.248 0.124 25448 10108 1 19 . 1 1 111 111 ARG CA C 111 57.100 57.100 57.781 -0.681 25448 10109 1 19 . 1 1 111 111 ARG CB C 111 28.110 28.110 30.784 -2.674 25448 10110 1 19 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.292 0.196 25448 10111 1 19 . 1 1 113 113 CYS CA C 113 61.609 61.609 61.925 -0.316 25448 10112 1 19 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.635 -0.835 25448 10113 1 19 . 1 1 114 114 GLU N N 114 125.287 125.287 120.057 5.230 25448 10114 1 19 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.634 -0.195 25448 10115 1 19 . 1 1 114 114 GLU CA C 114 58.669 58.669 58.786 -0.117 25448 10116 1 19 . 1 1 114 114 GLU CB C 114 30.058 30.058 27.050 3.008 25448 10117 1 19 . 1 1 114 114 GLU H H 114 7.720 7.720 8.398 -0.678 25448 10118 1 19 . 1 1 115 115 HIS N N 115 119.008 119.008 119.810 -0.802 25448 10119 1 19 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.205 0.192 25448 10120 1 19 . 1 1 115 115 HIS CA C 115 58.460 58.460 59.438 -0.978 25448 10121 1 19 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.444 0.617 25448 10122 1 19 . 1 1 115 115 HIS H H 115 8.051 8.051 8.331 -0.280 25448 10123 1 19 . 1 1 116 116 PHE N N 116 117.059 117.059 120.204 -3.145 25448 10124 1 19 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.294 0.054 25448 10125 1 19 . 1 1 116 116 PHE CA C 116 61.077 61.077 60.514 0.563 25448 10126 1 19 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.927 0.671 25448 10127 1 19 . 1 1 116 116 PHE H H 116 8.168 8.168 7.640 0.528 25448 10128 1 19 . 1 1 117 117 VAL N N 117 107.857 107.857 113.964 -6.107 25448 10129 1 19 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.155 0.710 25448 10130 1 19 . 1 1 117 117 VAL CA C 117 64.591 64.591 64.572 0.019 25448 10131 1 19 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.544 -0.971 25448 10132 1 19 . 1 1 117 117 VAL H H 117 7.080 7.080 7.344 -0.264 25448 10133 1 19 . 1 1 118 118 THR N N 118 117.382 117.382 113.449 3.933 25448 10134 1 19 . 1 1 118 118 THR HA H 118 4.046 4.046 3.881 0.165 25448 10135 1 19 . 1 1 118 118 THR CA C 118 66.745 66.745 65.926 0.819 25448 10136 1 19 . 1 1 118 118 THR CB C 118 68.185 68.185 68.225 -0.041 25448 10137 1 19 . 1 1 118 118 THR H H 118 8.465 8.465 8.092 0.373 25448 10138 1 19 . 1 1 119 119 GLN N N 119 121.900 121.900 120.631 1.269 25448 10139 1 19 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.172 -0.287 25448 10140 1 19 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.588 0.414 25448 10141 1 19 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.427 -0.816 25448 10142 1 19 . 1 1 119 119 GLN H H 119 8.074 8.074 7.704 0.370 25448 10143 1 19 . 1 1 120 120 LEU N N 120 117.899 117.899 118.440 -0.541 25448 10144 1 19 . 1 1 120 120 LEU HA H 120 3.835 3.835 4.055 -0.220 25448 10145 1 19 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.297 0.130 25448 10146 1 19 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.348 0.886 25448 10147 1 19 . 1 1 120 120 LEU H H 120 6.829 6.829 7.228 -0.399 25448 10148 1 19 . 1 1 121 121 ARG N N 121 117.250 117.250 118.427 -1.177 25448 10149 1 19 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.145 -0.225 25448 10150 1 19 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.597 0.446 25448 10151 1 19 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.776 -0.519 25448 10152 1 19 . 1 1 121 121 ARG H H 121 7.677 7.677 7.628 0.049 25448 10153 1 19 . 1 1 122 122 TYR N N 122 111.508 111.508 120.934 -9.426 25448 10154 1 19 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.081 0.559 25448 10155 1 19 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.183 -1.661 25448 10156 1 19 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.746 0.928 25448 10157 1 19 . 1 1 122 122 TYR H H 122 8.114 8.114 8.529 -0.415 25448 10158 1 19 . 1 1 123 123 GLY N N 123 109.399 109.399 104.524 4.875 25448 10159 1 19 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.655 0.686 25448 10160 1 19 . 1 1 123 123 GLY H H 123 8.032 8.032 7.909 0.123 25448 10161 1 19 . 1 1 124 124 LYS N N 124 117.936 117.936 120.178 -2.242 25448 10162 1 19 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.070 0.282 25448 10163 1 19 . 1 1 124 124 LYS CA C 124 55.200 55.200 58.056 -2.856 25448 10164 1 19 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.482 1.516 25448 10165 1 19 . 1 1 124 124 LYS H H 124 7.402 7.402 7.358 0.044 25448 10166 1 20 . 1 1 3 3 SER N N 3 113.812 113.812 116.414 -2.602 25448 10167 1 20 . 1 1 3 3 SER HA H 3 4.697 4.697 4.891 -0.194 25448 10168 1 20 . 1 1 3 3 SER CA C 3 58.996 58.996 57.233 1.762 25448 10169 1 20 . 1 1 3 3 SER CB C 3 63.800 63.800 63.269 0.531 25448 10170 1 20 . 1 1 3 3 SER H H 3 7.587 7.587 8.671 -1.084 25448 10171 1 20 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.547 -0.134 25448 10172 1 20 . 1 1 4 4 PRO CA C 4 63.354 63.354 62.749 0.605 25448 10173 1 20 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.155 -0.255 25448 10174 1 20 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.562 -0.005 25448 10175 1 20 . 1 1 5 5 HIS CA C 5 56.230 56.230 55.223 1.007 25448 10176 1 20 . 1 1 5 5 HIS CB C 5 30.500 30.500 30.602 -0.102 25448 10177 1 20 . 1 1 5 5 HIS H H 5 6.984 6.984 7.974 -0.990 25448 10178 1 20 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.331 -0.043 25448 10179 1 20 . 1 1 6 6 GLN CA C 6 55.174 55.174 56.081 -0.908 25448 10180 1 20 . 1 1 6 6 GLN CB C 6 30.042 30.042 29.411 0.631 25448 10181 1 20 . 1 1 7 7 GLU N N 7 124.477 124.477 123.712 0.765 25448 10182 1 20 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.683 -0.194 25448 10183 1 20 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.433 0.678 25448 10184 1 20 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.853 -1.941 25448 10185 1 20 . 1 1 7 7 GLU H H 7 8.353 8.353 8.357 -0.004 25448 10186 1 20 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.490 -0.146 25448 10187 1 20 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.116 0.282 25448 10188 1 20 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.413 -1.013 25448 10189 1 20 . 1 1 9 9 LYS N N 9 122.328 122.328 120.149 2.179 25448 10190 1 20 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.868 0.005 25448 10191 1 20 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.951 0.200 25448 10192 1 20 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.791 -1.651 25448 10193 1 20 . 1 1 9 9 LYS H H 9 9.336 9.336 9.010 0.326 25448 10194 1 20 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.293 -0.370 25448 10195 1 20 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.685 -0.151 25448 10196 1 20 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.527 0.102 25448 10197 1 20 . 1 1 11 11 GLY N N 11 112.758 112.758 114.671 -1.913 25448 10198 1 20 . 1 1 11 11 GLY CA C 11 45.182 45.182 44.928 0.254 25448 10199 1 20 . 1 1 11 11 GLY H H 11 9.359 9.359 9.144 0.215 25448 10200 1 20 . 1 1 12 12 ASP N N 12 120.500 120.500 121.765 -1.265 25448 10201 1 20 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.892 -0.022 25448 10202 1 20 . 1 1 12 12 ASP CA C 12 55.211 55.211 54.986 0.225 25448 10203 1 20 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.395 1.551 25448 10204 1 20 . 1 1 12 12 ASP H H 12 8.277 8.277 7.962 0.315 25448 10205 1 20 . 1 1 13 13 LEU N N 13 119.594 119.594 123.807 -4.213 25448 10206 1 20 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.854 0.123 25448 10207 1 20 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.887 -0.898 25448 10208 1 20 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.517 -1.319 25448 10209 1 20 . 1 1 13 13 LEU H H 13 9.103 9.103 9.353 -0.250 25448 10210 1 20 . 1 1 14 14 ILE N N 14 121.352 121.352 124.391 -3.039 25448 10211 1 20 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.847 -0.237 25448 10212 1 20 . 1 1 14 14 ILE CA C 14 58.178 58.178 58.437 -0.259 25448 10213 1 20 . 1 1 14 14 ILE CB C 14 39.213 39.213 38.111 1.101 25448 10214 1 20 . 1 1 14 14 ILE H H 14 9.221 9.221 9.407 -0.186 25448 10215 1 20 . 1 1 15 15 GLU N N 15 129.555 129.555 128.127 1.428 25448 10216 1 20 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.160 -0.942 25448 10217 1 20 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.367 0.081 25448 10218 1 20 . 1 1 15 15 GLU CB C 15 31.783 31.783 31.997 -0.214 25448 10219 1 20 . 1 1 15 15 GLU H H 15 8.625 8.625 9.108 -0.483 25448 10220 1 20 . 1 1 16 16 ILE N N 16 125.258 125.258 125.537 -0.279 25448 10221 1 20 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.366 -0.257 25448 10222 1 20 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.635 0.865 25448 10223 1 20 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.174 0.227 25448 10224 1 20 . 1 1 16 16 ILE H H 16 8.557 8.557 8.563 -0.006 25448 10225 1 20 . 1 1 17 17 PHE N N 17 127.058 127.058 126.875 0.183 25448 10226 1 20 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.561 -0.059 25448 10227 1 20 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.874 2.065 25448 10228 1 20 . 1 1 17 17 PHE CB C 17 37.496 37.496 36.718 0.778 25448 10229 1 20 . 1 1 17 17 PHE H H 17 8.500 8.500 8.816 -0.316 25448 10230 1 20 . 1 1 18 18 ARG N N 18 124.569 124.569 121.426 3.143 25448 10231 1 20 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.051 0.599 25448 10232 1 20 . 1 1 18 18 ARG CA C 18 54.596 54.596 55.813 -1.217 25448 10233 1 20 . 1 1 18 18 ARG CB C 18 30.206 30.206 30.867 -0.661 25448 10234 1 20 . 1 1 18 18 ARG H H 18 7.686 7.686 7.505 0.181 25448 10235 1 20 . 1 1 19 19 LEU N N 19 121.049 121.049 127.732 -6.683 25448 10236 1 20 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.203 0.221 25448 10237 1 20 . 1 1 19 19 LEU CA C 19 56.123 56.123 56.256 -0.133 25448 10238 1 20 . 1 1 19 19 LEU CB C 19 40.296 40.296 42.377 -2.082 25448 10239 1 20 . 1 1 19 19 LEU H H 19 8.103 8.103 8.578 -0.475 25448 10240 1 20 . 1 1 20 20 GLY N N 20 115.623 115.623 112.882 2.741 25448 10241 1 20 . 1 1 20 20 GLY CA C 20 45.736 45.736 45.028 0.708 25448 10242 1 20 . 1 1 20 20 GLY H H 20 8.686 8.686 8.394 0.292 25448 10243 1 20 . 1 1 21 21 TYR N N 21 115.905 115.905 125.874 -9.969 25448 10244 1 20 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.536 0.224 25448 10245 1 20 . 1 1 21 21 TYR CA C 21 56.507 56.507 58.379 -1.872 25448 10246 1 20 . 1 1 21 21 TYR CB C 21 38.631 38.631 39.069 -0.438 25448 10247 1 20 . 1 1 21 21 TYR H H 21 7.433 7.433 8.440 -1.006 25448 10248 1 20 . 1 1 22 22 GLU N N 22 116.649 116.649 120.365 -3.716 25448 10249 1 20 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.376 0.784 25448 10250 1 20 . 1 1 22 22 GLU CA C 22 56.255 56.255 57.227 -0.972 25448 10251 1 20 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.126 2.041 25448 10252 1 20 . 1 1 22 22 GLU H H 22 8.139 8.139 8.678 -0.539 25448 10253 1 20 . 1 1 23 23 HIS N N 23 122.171 122.171 117.079 5.092 25448 10254 1 20 . 1 1 23 23 HIS HA H 23 5.588 5.588 5.119 0.469 25448 10255 1 20 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.058 0.103 25448 10256 1 20 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.956 0.414 25448 10257 1 20 . 1 1 23 23 HIS H H 23 8.943 8.943 8.647 0.296 25448 10258 1 20 . 1 1 24 24 TRP N N 24 124.412 124.412 118.680 5.732 25448 10259 1 20 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.638 0.059 25448 10260 1 20 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.281 -0.375 25448 10261 1 20 . 1 1 24 24 TRP CB C 24 33.156 33.156 35.209 -2.054 25448 10262 1 20 . 1 1 24 24 TRP H H 24 6.764 6.764 8.098 -1.334 25448 10263 1 20 . 1 1 25 25 ALA N N 25 121.149 121.149 121.742 -0.593 25448 10264 1 20 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.188 -0.327 25448 10265 1 20 . 1 1 25 25 ALA CA C 25 50.352 50.352 50.927 -0.575 25448 10266 1 20 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.377 -0.424 25448 10267 1 20 . 1 1 25 25 ALA H H 25 9.336 9.336 9.126 0.210 25448 10268 1 20 . 1 1 26 26 LEU N N 26 122.472 122.472 122.671 -0.199 25448 10269 1 20 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.282 -0.022 25448 10270 1 20 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.818 0.823 25448 10271 1 20 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.776 1.645 25448 10272 1 20 . 1 1 26 26 LEU H H 26 8.835 8.835 9.046 -0.211 25448 10273 1 20 . 1 1 27 27 TYR N N 27 128.215 128.215 129.097 -0.882 25448 10274 1 20 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.757 -0.005 25448 10275 1 20 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.455 1.347 25448 10276 1 20 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.953 -1.283 25448 10277 1 20 . 1 1 27 27 TYR H H 27 9.750 9.750 9.351 0.399 25448 10278 1 20 . 1 1 28 28 ILE N N 28 119.796 119.796 121.915 -2.119 25448 10279 1 20 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.536 0.037 25448 10280 1 20 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.275 0.543 25448 10281 1 20 . 1 1 28 28 ILE CB C 28 38.900 38.900 39.130 -0.230 25448 10282 1 20 . 1 1 28 28 ILE H H 28 8.196 8.196 8.056 0.140 25448 10283 1 20 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.401 -0.401 25448 10284 1 20 . 1 1 29 29 GLY H H 29 6.584 6.584 6.812 -0.228 25448 10285 1 20 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.376 0.046 25448 10286 1 20 . 1 1 30 30 ASP CA C 30 55.640 55.640 55.135 0.506 25448 10287 1 20 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.135 0.118 25448 10288 1 20 . 1 1 30 30 ASP H H 30 6.837 6.837 8.890 -2.053 25448 10289 1 20 . 1 1 31 31 GLY N N 31 124.953 124.953 103.222 21.731 25448 10290 1 20 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.239 0.299 25448 10291 1 20 . 1 1 31 31 GLY H H 31 8.120 8.120 7.928 0.192 25448 10292 1 20 . 1 1 32 32 TYR N N 32 120.196 120.196 120.760 -0.564 25448 10293 1 20 . 1 1 32 32 TYR HA H 32 4.930 4.930 4.982 -0.052 25448 10294 1 20 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.575 0.213 25448 10295 1 20 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.343 1.652 25448 10296 1 20 . 1 1 32 32 TYR H H 32 7.843 7.843 7.640 0.203 25448 10297 1 20 . 1 1 33 33 VAL N N 33 109.892 109.892 114.745 -4.853 25448 10298 1 20 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.111 0.355 25448 10299 1 20 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.822 -2.362 25448 10300 1 20 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.582 -0.425 25448 10301 1 20 . 1 1 33 33 VAL H H 33 9.242 9.242 9.294 -0.052 25448 10302 1 20 . 1 1 34 34 ILE N N 34 119.424 119.424 122.004 -2.580 25448 10303 1 20 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.251 0.304 25448 10304 1 20 . 1 1 34 34 ILE CA C 34 60.331 60.331 59.965 0.366 25448 10305 1 20 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.388 0.544 25448 10306 1 20 . 1 1 34 34 ILE H H 34 9.084 9.084 9.038 0.046 25448 10307 1 20 . 1 1 35 35 HIS N N 35 123.118 123.118 121.695 1.423 25448 10308 1 20 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.290 -0.132 25448 10309 1 20 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.511 -0.293 25448 10310 1 20 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.795 2.205 25448 10311 1 20 . 1 1 35 35 HIS H H 35 9.110 9.110 9.030 0.080 25448 10312 1 20 . 1 1 36 36 LEU N N 36 123.704 123.704 125.092 -1.388 25448 10313 1 20 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.520 -0.436 25448 10314 1 20 . 1 1 36 36 LEU CA C 36 53.682 53.682 53.936 -0.254 25448 10315 1 20 . 1 1 36 36 LEU CB C 36 41.631 41.631 42.013 -0.382 25448 10316 1 20 . 1 1 36 36 LEU H H 36 8.991 8.991 9.158 -0.167 25448 10317 1 20 . 1 1 37 37 ALA N N 37 129.765 129.765 131.026 -1.261 25448 10318 1 20 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.734 -0.407 25448 10319 1 20 . 1 1 37 37 ALA CA C 37 49.698 49.698 49.941 -0.243 25448 10320 1 20 . 1 1 37 37 ALA CB C 37 19.428 19.428 18.657 0.770 25448 10321 1 20 . 1 1 37 37 ALA H H 37 8.050 8.050 8.975 -0.925 25448 10322 1 20 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.764 -0.760 25448 10323 1 20 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.247 -0.447 25448 10324 1 20 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.072 -0.544 25448 10325 1 20 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.596 -0.222 25448 10326 1 20 . 1 1 39 39 PRO CA C 39 62.900 62.900 62.475 0.425 25448 10327 1 20 . 1 1 39 39 PRO CB C 39 32.000 32.000 32.493 -0.493 25448 10328 1 20 . 1 1 40 40 SER N N 40 114.906 114.906 114.804 0.102 25448 10329 1 20 . 1 1 40 40 SER HA H 40 4.326 4.326 4.436 -0.110 25448 10330 1 20 . 1 1 40 40 SER CA C 40 58.700 58.700 59.281 -0.581 25448 10331 1 20 . 1 1 40 40 SER CB C 40 64.004 64.004 63.286 0.718 25448 10332 1 20 . 1 1 40 40 SER H H 40 8.184 8.184 8.637 -0.453 25448 10333 1 20 . 1 1 41 41 GLU N N 41 121.221 121.221 119.416 1.805 25448 10334 1 20 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.378 -0.117 25448 10335 1 20 . 1 1 41 41 GLU CA C 41 56.424 56.424 55.653 0.771 25448 10336 1 20 . 1 1 41 41 GLU CB C 41 30.514 30.514 32.058 -1.544 25448 10337 1 20 . 1 1 41 41 GLU H H 41 8.401 8.401 7.610 0.791 25448 10338 1 20 . 1 1 42 42 TYR N N 42 121.900 121.900 124.851 -2.951 25448 10339 1 20 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.288 0.492 25448 10340 1 20 . 1 1 42 42 TYR CA C 42 55.700 55.700 60.391 -4.691 25448 10341 1 20 . 1 1 42 42 TYR CB C 42 38.400 38.400 37.366 1.034 25448 10342 1 20 . 1 1 42 42 TYR H H 42 8.117 8.117 8.693 -0.576 25448 10343 1 20 . 1 1 43 43 PRO HA H 43 4.403 4.403 3.914 0.489 25448 10344 1 20 . 1 1 43 43 PRO CA C 43 63.480 63.480 61.414 2.066 25448 10345 1 20 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.294 -0.494 25448 10346 1 20 . 1 1 44 44 GLY N N 44 109.030 109.030 107.874 1.156 25448 10347 1 20 . 1 1 44 44 GLY CA C 44 45.244 45.244 43.994 1.250 25448 10348 1 20 . 1 1 44 44 GLY H H 44 8.001 8.001 8.166 -0.165 25448 10349 1 20 . 1 1 45 45 ALA N N 45 123.500 123.500 121.756 1.744 25448 10350 1 20 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.370 -0.058 25448 10351 1 20 . 1 1 45 45 ALA CA C 45 52.853 52.853 52.521 0.332 25448 10352 1 20 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.152 0.170 25448 10353 1 20 . 1 1 45 45 ALA H H 45 8.082 8.082 7.365 0.717 25448 10354 1 20 . 1 1 46 46 GLY N N 46 108.151 108.151 110.782 -2.631 25448 10355 1 20 . 1 1 46 46 GLY CA C 46 45.460 45.460 45.970 -0.510 25448 10356 1 20 . 1 1 46 46 GLY H H 46 8.408 8.408 8.508 -0.100 25448 10357 1 20 . 1 1 48 48 SER N N 48 116.904 116.904 117.784 -0.880 25448 10358 1 20 . 1 1 48 48 SER HA H 48 4.700 4.700 4.604 0.096 25448 10359 1 20 . 1 1 48 48 SER H H 48 8.044 8.044 7.461 0.583 25448 10360 1 20 . 1 1 49 49 SER HA H 49 4.456 4.456 4.543 -0.087 25448 10361 1 20 . 1 1 49 49 SER CA C 49 58.713 58.713 57.562 1.151 25448 10362 1 20 . 1 1 49 49 SER CB C 49 64.000 64.000 61.983 2.017 25448 10363 1 20 . 1 1 50 50 VAL N N 50 120.352 120.352 122.100 -1.748 25448 10364 1 20 . 1 1 50 50 VAL HA H 50 4.033 4.033 4.163 -0.130 25448 10365 1 20 . 1 1 50 50 VAL CA C 50 62.816 62.816 61.365 1.451 25448 10366 1 20 . 1 1 50 50 VAL CB C 50 32.416 32.416 29.047 3.369 25448 10367 1 20 . 1 1 50 50 VAL H H 50 7.890 7.890 8.339 -0.449 25448 10368 1 20 . 1 1 51 51 PHE N N 51 121.600 121.600 124.364 -2.764 25448 10369 1 20 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.060 0.516 25448 10370 1 20 . 1 1 51 51 PHE CA C 51 58.198 58.198 61.835 -3.637 25448 10371 1 20 . 1 1 51 51 PHE CB C 51 39.470 39.470 39.439 0.031 25448 10372 1 20 . 1 1 51 51 PHE H H 51 7.989 7.989 7.975 0.014 25448 10373 1 20 . 1 1 52 52 SER N N 52 116.521 116.521 112.299 4.222 25448 10374 1 20 . 1 1 52 52 SER HA H 52 4.429 4.429 4.405 0.024 25448 10375 1 20 . 1 1 52 52 SER C C 52 174.445 174.445 173.933 0.512 25448 10376 1 20 . 1 1 52 52 SER CA C 52 58.365 58.365 59.364 -0.999 25448 10377 1 20 . 1 1 52 52 SER CB C 52 64.018 64.018 63.481 0.537 25448 10378 1 20 . 1 1 52 52 SER H H 52 8.018 8.018 8.419 -0.401 25448 10379 1 20 . 1 1 53 53 VAL N N 53 120.571 120.571 122.406 -1.835 25448 10380 1 20 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.101 0.002 25448 10381 1 20 . 1 1 53 53 VAL CA C 53 62.979 62.979 61.175 1.804 25448 10382 1 20 . 1 1 53 53 VAL CB C 53 32.416 32.416 31.851 0.565 25448 10383 1 20 . 1 1 53 53 VAL H H 53 7.959 7.959 7.599 0.360 25448 10384 1 20 . 1 1 54 54 LEU N N 54 123.703 123.703 130.789 -7.086 25448 10385 1 20 . 1 1 54 54 LEU HA H 54 4.366 4.366 3.788 0.578 25448 10386 1 20 . 1 1 54 54 LEU CA C 54 55.500 55.500 57.110 -1.610 25448 10387 1 20 . 1 1 54 54 LEU CB C 54 42.293 42.293 42.062 0.231 25448 10388 1 20 . 1 1 54 54 LEU H H 54 8.095 8.095 8.594 -0.499 25448 10389 1 20 . 1 1 55 55 SER N N 55 115.309 115.309 109.744 5.565 25448 10390 1 20 . 1 1 55 55 SER HA H 55 4.399 4.399 4.079 0.320 25448 10391 1 20 . 1 1 55 55 SER CA C 55 58.365 58.365 60.046 -1.681 25448 10392 1 20 . 1 1 55 55 SER CB C 55 64.110 64.110 61.882 2.228 25448 10393 1 20 . 1 1 55 55 SER H H 55 8.063 8.063 8.466 -0.403 25448 10394 1 20 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.751 0.167 25448 10395 1 20 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.745 -0.594 25448 10396 1 20 . 1 1 56 56 ASN CB C 56 39.339 39.339 39.354 -0.015 25448 10397 1 20 . 1 1 57 57 SER N N 57 115.102 115.102 115.616 -0.514 25448 10398 1 20 . 1 1 57 57 SER HA H 57 4.694 4.694 4.853 -0.159 25448 10399 1 20 . 1 1 57 57 SER CA C 57 58.307 58.307 57.099 1.208 25448 10400 1 20 . 1 1 57 57 SER CB C 57 64.838 64.838 66.755 -1.917 25448 10401 1 20 . 1 1 57 57 SER H H 57 8.065 8.065 8.201 -0.136 25448 10402 1 20 . 1 1 58 58 ALA N N 58 125.610 125.610 123.890 1.720 25448 10403 1 20 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.727 -0.233 25448 10404 1 20 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.721 0.560 25448 10405 1 20 . 1 1 58 58 ALA CB C 58 22.479 22.479 21.011 1.468 25448 10406 1 20 . 1 1 58 58 ALA H H 58 8.548 8.548 8.852 -0.304 25448 10407 1 20 . 1 1 59 59 GLU N N 59 120.190 120.190 120.726 -0.536 25448 10408 1 20 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.096 -0.063 25448 10409 1 20 . 1 1 59 59 GLU CA C 59 54.004 54.004 53.943 0.061 25448 10410 1 20 . 1 1 59 59 GLU CB C 59 34.292 34.292 33.977 0.315 25448 10411 1 20 . 1 1 59 59 GLU H H 59 8.116 8.116 8.683 -0.567 25448 10412 1 20 . 1 1 60 60 VAL N N 60 125.380 125.380 126.390 -1.010 25448 10413 1 20 . 1 1 60 60 VAL HA H 60 4.338 4.338 3.953 0.385 25448 10414 1 20 . 1 1 60 60 VAL CA C 60 62.784 62.784 62.749 0.035 25448 10415 1 20 . 1 1 60 60 VAL CB C 60 30.756 30.756 30.493 0.263 25448 10416 1 20 . 1 1 60 60 VAL H H 60 8.531 8.531 8.894 -0.363 25448 10417 1 20 . 1 1 61 61 LYS N N 61 129.548 129.548 126.841 2.707 25448 10418 1 20 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.649 0.251 25448 10419 1 20 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.345 1.239 25448 10420 1 20 . 1 1 61 61 LYS CB C 61 38.034 38.034 36.844 1.190 25448 10421 1 20 . 1 1 61 61 LYS H H 61 9.068 9.068 8.742 0.326 25448 10422 1 20 . 1 1 62 62 ARG N N 62 123.653 123.653 123.127 0.526 25448 10423 1 20 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.221 0.481 25448 10424 1 20 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.097 -0.711 25448 10425 1 20 . 1 1 62 62 ARG CB C 62 31.958 31.958 31.713 0.245 25448 10426 1 20 . 1 1 62 62 ARG H H 62 8.749 8.749 8.614 0.135 25448 10427 1 20 . 1 1 63 63 GLU N N 63 125.033 125.033 124.882 0.151 25448 10428 1 20 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.881 0.117 25448 10429 1 20 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.917 -0.039 25448 10430 1 20 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.225 2.758 25448 10431 1 20 . 1 1 63 63 GLU H H 63 8.973 8.973 9.245 -0.272 25448 10432 1 20 . 1 1 64 64 ARG N N 64 121.855 121.855 119.579 2.276 25448 10433 1 20 . 1 1 64 64 ARG HA H 64 3.900 3.900 4.046 -0.146 25448 10434 1 20 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.523 0.377 25448 10435 1 20 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.410 -0.864 25448 10436 1 20 . 1 1 64 64 ARG H H 64 9.273 9.273 8.647 0.626 25448 10437 1 20 . 1 1 65 65 LEU N N 65 124.611 124.611 126.789 -2.178 25448 10438 1 20 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.814 -0.244 25448 10439 1 20 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.667 0.343 25448 10440 1 20 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.973 -0.250 25448 10441 1 20 . 1 1 65 65 LEU H H 65 8.823 8.823 8.961 -0.138 25448 10442 1 20 . 1 1 66 66 GLU N N 66 115.188 115.188 118.460 -3.272 25448 10443 1 20 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.747 0.088 25448 10444 1 20 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.616 0.038 25448 10445 1 20 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.606 0.554 25448 10446 1 20 . 1 1 66 66 GLU H H 66 9.360 9.360 8.600 0.760 25448 10447 1 20 . 1 1 67 67 ASP N N 67 118.590 118.590 118.392 0.198 25448 10448 1 20 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.402 0.058 25448 10449 1 20 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.919 -0.352 25448 10450 1 20 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.810 -0.140 25448 10451 1 20 . 1 1 67 67 ASP H H 67 6.806 6.806 7.961 -1.155 25448 10452 1 20 . 1 1 68 68 VAL N N 68 119.985 119.985 119.784 0.201 25448 10453 1 20 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.689 -0.073 25448 10454 1 20 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.811 -0.741 25448 10455 1 20 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.675 0.492 25448 10456 1 20 . 1 1 68 68 VAL H H 68 7.414 7.414 8.191 -0.777 25448 10457 1 20 . 1 1 69 69 VAL N N 69 116.972 116.972 118.430 -1.458 25448 10458 1 20 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.993 -0.491 25448 10459 1 20 . 1 1 69 69 VAL CA C 69 65.337 65.337 61.446 3.891 25448 10460 1 20 . 1 1 69 69 VAL CB C 69 32.036 32.036 32.205 -0.169 25448 10461 1 20 . 1 1 69 69 VAL H H 69 8.261 8.261 8.387 -0.126 25448 10462 1 20 . 1 1 70 70 GLY N N 70 107.311 107.311 107.702 -0.391 25448 10463 1 20 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.071 1.539 25448 10464 1 20 . 1 1 70 70 GLY H H 70 7.395 7.395 7.453 -0.058 25448 10465 1 20 . 1 1 71 71 GLY N N 71 110.582 110.582 113.912 -3.330 25448 10466 1 20 . 1 1 71 71 GLY CA C 71 45.176 45.176 45.198 -0.022 25448 10467 1 20 . 1 1 71 71 GLY H H 71 8.831 8.831 8.663 0.168 25448 10468 1 20 . 1 1 72 72 CYS N N 72 118.742 118.742 118.249 0.493 25448 10469 1 20 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.721 -0.223 25448 10470 1 20 . 1 1 72 72 CYS CA C 72 60.154 60.154 58.297 1.857 25448 10471 1 20 . 1 1 72 72 CYS CB C 72 29.295 29.295 30.189 -0.894 25448 10472 1 20 . 1 1 72 72 CYS H H 72 7.613 7.613 7.844 -0.231 25448 10473 1 20 . 1 1 73 73 CYS N N 73 120.205 120.205 122.991 -2.786 25448 10474 1 20 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.889 -0.358 25448 10475 1 20 . 1 1 73 73 CYS CA C 73 59.792 59.792 58.857 0.935 25448 10476 1 20 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.875 -0.829 25448 10477 1 20 . 1 1 73 73 CYS H H 73 9.007 9.007 9.075 -0.068 25448 10478 1 20 . 1 1 74 74 TYR N N 74 119.008 119.008 117.565 1.443 25448 10479 1 20 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.501 0.096 25448 10480 1 20 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.659 -1.069 25448 10481 1 20 . 1 1 74 74 TYR CB C 74 41.876 41.876 41.119 0.757 25448 10482 1 20 . 1 1 74 74 TYR H H 74 8.141 8.141 8.439 -0.298 25448 10483 1 20 . 1 1 75 75 ARG N N 75 115.457 115.457 117.626 -2.169 25448 10484 1 20 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.607 0.032 25448 10485 1 20 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.869 -0.874 25448 10486 1 20 . 1 1 75 75 ARG CB C 75 33.235 33.235 33.716 -0.481 25448 10487 1 20 . 1 1 75 75 ARG H H 75 9.008 9.008 9.140 -0.132 25448 10488 1 20 . 1 1 76 76 VAL N N 76 123.071 123.071 121.026 2.045 25448 10489 1 20 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.581 -0.018 25448 10490 1 20 . 1 1 76 76 VAL CA C 76 62.968 62.968 62.140 0.828 25448 10491 1 20 . 1 1 76 76 VAL CB C 76 31.965 31.965 31.810 0.155 25448 10492 1 20 . 1 1 76 76 VAL H H 76 8.511 8.511 9.209 -0.698 25448 10493 1 20 . 1 1 77 77 ASN N N 77 126.125 126.125 127.285 -1.160 25448 10494 1 20 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.902 -0.047 25448 10495 1 20 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.807 -0.735 25448 10496 1 20 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.339 -0.699 25448 10497 1 20 . 1 1 77 77 ASN H H 77 8.824 8.824 9.089 -0.265 25448 10498 1 20 . 1 1 78 78 ASN N N 78 124.269 124.269 123.154 1.115 25448 10499 1 20 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.807 0.539 25448 10500 1 20 . 1 1 78 78 ASN CA C 78 52.124 52.124 53.101 -0.977 25448 10501 1 20 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.974 -0.026 25448 10502 1 20 . 1 1 78 78 ASN H H 78 8.685 8.685 8.817 -0.132 25448 10503 1 20 . 1 1 79 79 SER N N 79 117.959 117.959 117.260 0.699 25448 10504 1 20 . 1 1 79 79 SER HA H 79 4.112 4.112 4.246 -0.134 25448 10505 1 20 . 1 1 79 79 SER CA C 79 62.669 62.669 61.241 1.428 25448 10506 1 20 . 1 1 79 79 SER CB C 79 63.727 63.727 63.488 0.239 25448 10507 1 20 . 1 1 79 79 SER H H 79 8.109 8.109 8.135 -0.026 25448 10508 1 20 . 1 1 80 80 LEU N N 80 121.272 121.272 121.080 0.192 25448 10509 1 20 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.274 0.196 25448 10510 1 20 . 1 1 80 80 LEU CA C 80 55.542 55.542 55.391 0.152 25448 10511 1 20 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.255 0.245 25448 10512 1 20 . 1 1 80 80 LEU H H 80 7.947 7.947 8.071 -0.124 25448 10513 1 20 . 1 1 81 81 ASP N N 81 121.692 121.692 120.398 1.294 25448 10514 1 20 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.445 0.645 25448 10515 1 20 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.871 -0.267 25448 10516 1 20 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.072 -0.772 25448 10517 1 20 . 1 1 81 81 ASP H H 81 8.294 8.294 7.764 0.530 25448 10518 1 20 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.494 -0.039 25448 10519 1 20 . 1 1 82 82 HIS CA C 82 57.900 57.900 58.032 -0.132 25448 10520 1 20 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.528 -0.762 25448 10521 1 20 . 1 1 83 83 GLU N N 83 118.940 118.940 118.016 0.924 25448 10522 1 20 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.055 0.098 25448 10523 1 20 . 1 1 83 83 GLU CA C 83 56.870 56.870 56.861 0.009 25448 10524 1 20 . 1 1 83 83 GLU CB C 83 32.422 32.422 31.175 1.247 25448 10525 1 20 . 1 1 83 83 GLU H H 83 7.476 7.476 7.780 -0.304 25448 10526 1 20 . 1 1 84 84 TYR N N 84 119.225 119.225 119.000 0.225 25448 10527 1 20 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.807 -0.041 25448 10528 1 20 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.642 -1.719 25448 10529 1 20 . 1 1 84 84 TYR CB C 84 41.224 41.224 40.065 1.159 25448 10530 1 20 . 1 1 84 84 TYR H H 84 8.207 8.207 8.002 0.205 25448 10531 1 20 . 1 1 85 85 GLN N N 85 119.667 119.667 119.644 0.023 25448 10532 1 20 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.459 0.339 25448 10533 1 20 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.358 -1.155 25448 10534 1 20 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.509 0.857 25448 10535 1 20 . 1 1 85 85 GLN H H 85 8.264 8.264 8.545 -0.281 25448 10536 1 20 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.374 0.048 25448 10537 1 20 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.836 -1.224 25448 10538 1 20 . 1 1 86 86 PRO CB C 86 31.850 31.850 31.944 -0.094 25448 10539 1 20 . 1 1 87 87 ARG N N 87 121.150 121.150 125.054 -3.904 25448 10540 1 20 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.812 -0.407 25448 10541 1 20 . 1 1 87 87 ARG CA C 87 55.600 55.600 52.863 2.737 25448 10542 1 20 . 1 1 87 87 ARG CB C 87 29.301 29.301 30.071 -0.770 25448 10543 1 20 . 1 1 87 87 ARG H H 87 8.254 8.254 8.401 -0.147 25448 10544 1 20 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.532 -0.085 25448 10545 1 20 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.722 0.257 25448 10546 1 20 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.236 0.034 25448 10547 1 20 . 1 1 89 89 VAL N N 89 125.682 125.682 126.396 -0.714 25448 10548 1 20 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.612 -0.111 25448 10549 1 20 . 1 1 89 89 VAL CA C 89 67.411 67.411 66.114 1.297 25448 10550 1 20 . 1 1 89 89 VAL CB C 89 31.635 31.635 31.579 0.056 25448 10551 1 20 . 1 1 89 89 VAL H H 89 8.678 8.678 8.590 0.088 25448 10552 1 20 . 1 1 90 90 GLU N N 90 117.092 117.092 119.751 -2.659 25448 10553 1 20 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.086 -0.059 25448 10554 1 20 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.422 0.593 25448 10555 1 20 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.798 -0.165 25448 10556 1 20 . 1 1 90 90 GLU H H 90 9.318 9.318 8.877 0.441 25448 10557 1 20 . 1 1 91 91 VAL N N 91 119.967 119.967 120.056 -0.089 25448 10558 1 20 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.754 0.110 25448 10559 1 20 . 1 1 91 91 VAL CA C 91 65.000 65.000 66.227 -1.227 25448 10560 1 20 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.558 0.343 25448 10561 1 20 . 1 1 91 91 VAL H H 91 7.153 7.153 7.636 -0.483 25448 10562 1 20 . 1 1 92 92 ILE N N 92 122.669 122.669 121.478 1.191 25448 10563 1 20 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.898 -0.588 25448 10564 1 20 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.417 1.294 25448 10565 1 20 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.838 0.725 25448 10566 1 20 . 1 1 92 92 ILE H H 92 8.004 8.004 7.428 0.576 25448 10567 1 20 . 1 1 93 93 ILE N N 93 115.049 115.049 120.120 -5.071 25448 10568 1 20 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.619 -0.087 25448 10569 1 20 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.574 -0.489 25448 10570 1 20 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.442 -0.279 25448 10571 1 20 . 1 1 93 93 ILE H H 93 8.305 8.305 8.494 -0.189 25448 10572 1 20 . 1 1 94 94 SER N N 94 115.196 115.196 115.519 -0.323 25448 10573 1 20 . 1 1 94 94 SER HA H 94 4.101 4.101 4.075 0.026 25448 10574 1 20 . 1 1 94 94 SER CA C 94 62.300 62.300 62.096 0.204 25448 10575 1 20 . 1 1 94 94 SER H H 94 7.927 7.927 8.483 -0.556 25448 10576 1 20 . 1 1 95 95 SER N N 95 117.891 117.891 118.651 -0.760 25448 10577 1 20 . 1 1 95 95 SER HA H 95 4.209 4.209 4.259 -0.050 25448 10578 1 20 . 1 1 95 95 SER CA C 95 62.100 62.100 61.489 0.611 25448 10579 1 20 . 1 1 95 95 SER CB C 95 62.714 62.714 62.836 -0.122 25448 10580 1 20 . 1 1 95 95 SER H H 95 8.174 8.174 8.355 -0.181 25448 10581 1 20 . 1 1 96 96 ALA N N 96 123.830 123.830 125.466 -1.636 25448 10582 1 20 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.099 -0.208 25448 10583 1 20 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.356 -0.080 25448 10584 1 20 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.273 1.675 25448 10585 1 20 . 1 1 96 96 ALA H H 96 8.110 8.110 8.238 -0.128 25448 10586 1 20 . 1 1 97 97 LYS N N 97 115.893 115.893 118.835 -2.942 25448 10587 1 20 . 1 1 97 97 LYS HA H 97 3.808 3.808 4.004 -0.196 25448 10588 1 20 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.176 1.173 25448 10589 1 20 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.440 0.258 25448 10590 1 20 . 1 1 97 97 LYS H H 97 8.218 8.218 8.199 0.019 25448 10591 1 20 . 1 1 98 98 GLU N N 98 117.006 117.006 118.237 -1.231 25448 10592 1 20 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.050 0.090 25448 10593 1 20 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.761 -0.539 25448 10594 1 20 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.821 -0.045 25448 10595 1 20 . 1 1 98 98 GLU H H 98 7.474 7.474 8.320 -0.846 25448 10596 1 20 . 1 1 99 99 MET N N 99 114.572 114.572 117.080 -2.508 25448 10597 1 20 . 1 1 99 99 MET HA H 99 4.533 4.533 4.390 0.143 25448 10598 1 20 . 1 1 99 99 MET CA C 99 55.292 55.292 55.950 -0.658 25448 10599 1 20 . 1 1 99 99 MET CB C 99 33.777 33.777 33.387 0.390 25448 10600 1 20 . 1 1 99 99 MET H H 99 7.378 7.378 8.049 -0.671 25448 10601 1 20 . 1 1 100 100 VAL N N 100 119.104 119.104 118.268 0.836 25448 10602 1 20 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.592 -0.326 25448 10603 1 20 . 1 1 100 100 VAL CA C 100 66.047 66.047 64.983 1.064 25448 10604 1 20 . 1 1 100 100 VAL CB C 100 31.325 31.325 30.604 0.721 25448 10605 1 20 . 1 1 100 100 VAL H H 100 7.056 7.056 8.129 -1.073 25448 10606 1 20 . 1 1 101 101 GLY N N 101 116.779 116.779 115.481 1.298 25448 10607 1 20 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.704 -0.053 25448 10608 1 20 . 1 1 101 101 GLY H H 101 8.979 8.979 8.846 0.133 25448 10609 1 20 . 1 1 102 102 GLN N N 102 119.990 119.990 120.541 -0.551 25448 10610 1 20 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.403 -0.206 25448 10611 1 20 . 1 1 102 102 GLN C C 102 174.994 174.994 174.974 0.020 25448 10612 1 20 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.230 1.433 25448 10613 1 20 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.283 -1.347 25448 10614 1 20 . 1 1 102 102 GLN H H 102 8.103 8.103 8.109 -0.006 25448 10615 1 20 . 1 1 103 103 LYS N N 103 120.261 120.261 121.681 -1.420 25448 10616 1 20 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.225 0.041 25448 10617 1 20 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.323 -0.681 25448 10618 1 20 . 1 1 103 103 LYS CB C 103 34.196 34.196 35.016 -0.820 25448 10619 1 20 . 1 1 103 103 LYS H H 103 8.310 8.310 8.371 -0.061 25448 10620 1 20 . 1 1 104 104 MET N N 104 119.868 119.868 120.985 -1.117 25448 10621 1 20 . 1 1 104 104 MET HA H 104 4.692 4.692 4.846 -0.154 25448 10622 1 20 . 1 1 104 104 MET CA C 104 54.276 54.276 53.862 0.414 25448 10623 1 20 . 1 1 104 104 MET CB C 104 36.831 36.831 36.743 0.088 25448 10624 1 20 . 1 1 104 104 MET H H 104 8.556 8.556 8.795 -0.239 25448 10625 1 20 . 1 1 105 105 LYS N N 105 120.932 120.932 120.105 0.827 25448 10626 1 20 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.243 0.123 25448 10627 1 20 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.780 0.320 25448 10628 1 20 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.559 0.331 25448 10629 1 20 . 1 1 105 105 LYS H H 105 8.257 8.257 8.253 0.004 25448 10630 1 20 . 1 1 106 106 TYR N N 106 122.600 122.600 120.701 1.899 25448 10631 1 20 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.383 0.035 25448 10632 1 20 . 1 1 106 106 TYR CA C 106 56.726 56.726 57.648 -0.922 25448 10633 1 20 . 1 1 106 106 TYR CB C 106 38.561 38.561 38.305 0.256 25448 10634 1 20 . 1 1 106 106 TYR H H 106 8.378 8.378 8.917 -0.539 25448 10635 1 20 . 1 1 107 107 SER N N 107 116.904 116.904 118.318 -1.414 25448 10636 1 20 . 1 1 107 107 SER CA C 107 56.717 56.717 59.435 -2.718 25448 10637 1 20 . 1 1 107 107 SER CB C 107 63.983 63.983 63.762 0.221 25448 10638 1 20 . 1 1 107 107 SER H H 107 8.044 8.044 8.666 -0.622 25448 10639 1 20 . 1 1 109 109 VAL HA H 109 4.013 4.013 2.404 1.609 25448 10640 1 20 . 1 1 109 109 VAL CA C 109 64.307 64.307 65.003 -0.696 25448 10641 1 20 . 1 1 109 109 VAL CB C 109 32.000 32.000 30.684 1.316 25448 10642 1 20 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.012 0.360 25448 10643 1 20 . 1 1 111 111 ARG CA C 111 57.100 57.100 57.102 -0.002 25448 10644 1 20 . 1 1 111 111 ARG CB C 111 28.110 28.110 27.242 0.868 25448 10645 1 20 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.213 0.275 25448 10646 1 20 . 1 1 113 113 CYS CA C 113 61.609 61.609 61.574 0.035 25448 10647 1 20 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.525 -0.725 25448 10648 1 20 . 1 1 114 114 GLU N N 114 125.287 125.287 122.030 3.257 25448 10649 1 20 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.497 -0.058 25448 10650 1 20 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.064 -0.395 25448 10651 1 20 . 1 1 114 114 GLU CB C 114 30.058 30.058 28.073 1.985 25448 10652 1 20 . 1 1 114 114 GLU H H 114 7.720 7.720 8.234 -0.514 25448 10653 1 20 . 1 1 115 115 HIS N N 115 119.008 119.008 119.403 -0.395 25448 10654 1 20 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.358 0.039 25448 10655 1 20 . 1 1 115 115 HIS CA C 115 58.460 58.460 57.641 0.819 25448 10656 1 20 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.285 0.776 25448 10657 1 20 . 1 1 115 115 HIS H H 115 8.051 8.051 7.456 0.595 25448 10658 1 20 . 1 1 116 116 PHE N N 116 117.059 117.059 121.718 -4.659 25448 10659 1 20 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.211 0.137 25448 10660 1 20 . 1 1 116 116 PHE CA C 116 61.077 61.077 60.550 0.527 25448 10661 1 20 . 1 1 116 116 PHE CB C 116 39.598 39.598 39.049 0.549 25448 10662 1 20 . 1 1 116 116 PHE H H 116 8.168 8.168 8.172 -0.004 25448 10663 1 20 . 1 1 117 117 VAL N N 117 107.857 107.857 115.748 -7.891 25448 10664 1 20 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.099 0.766 25448 10665 1 20 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.135 -0.544 25448 10666 1 20 . 1 1 117 117 VAL CB C 117 30.573 30.573 30.781 -0.208 25448 10667 1 20 . 1 1 117 117 VAL H H 117 7.080 7.080 7.873 -0.793 25448 10668 1 20 . 1 1 118 118 THR N N 118 117.382 117.382 112.560 4.822 25448 10669 1 20 . 1 1 118 118 THR HA H 118 4.046 4.046 3.910 0.136 25448 10670 1 20 . 1 1 118 118 THR CA C 118 66.745 66.745 65.784 0.961 25448 10671 1 20 . 1 1 118 118 THR CB C 118 68.185 68.185 68.501 -0.316 25448 10672 1 20 . 1 1 118 118 THR H H 118 8.465 8.465 8.039 0.426 25448 10673 1 20 . 1 1 119 119 GLN N N 119 121.900 121.900 120.700 1.200 25448 10674 1 20 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.186 -0.301 25448 10675 1 20 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.428 0.574 25448 10676 1 20 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.446 -0.835 25448 10677 1 20 . 1 1 119 119 GLN H H 119 8.074 8.074 7.706 0.368 25448 10678 1 20 . 1 1 120 120 LEU N N 120 117.899 117.899 118.659 -0.760 25448 10679 1 20 . 1 1 120 120 LEU HA H 120 3.835 3.835 4.004 -0.169 25448 10680 1 20 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.366 0.061 25448 10681 1 20 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.320 0.914 25448 10682 1 20 . 1 1 120 120 LEU H H 120 6.829 6.829 7.221 -0.392 25448 10683 1 20 . 1 1 121 121 ARG N N 121 117.250 117.250 118.899 -1.649 25448 10684 1 20 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.067 -0.147 25448 10685 1 20 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.949 0.094 25448 10686 1 20 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.441 -0.185 25448 10687 1 20 . 1 1 121 121 ARG H H 121 7.677 7.677 7.621 0.056 25448 10688 1 20 . 1 1 122 122 TYR N N 122 111.508 111.508 119.357 -7.849 25448 10689 1 20 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.113 0.527 25448 10690 1 20 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.093 -1.571 25448 10691 1 20 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.589 1.085 25448 10692 1 20 . 1 1 122 122 TYR H H 122 8.114 8.114 8.341 -0.227 25448 10693 1 20 . 1 1 123 123 GLY N N 123 109.399 109.399 106.716 2.683 25448 10694 1 20 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.474 0.867 25448 10695 1 20 . 1 1 123 123 GLY H H 123 8.032 8.032 7.731 0.301 25448 10696 1 20 . 1 1 124 124 LYS N N 124 117.936 117.936 119.926 -1.990 25448 10697 1 20 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.130 0.222 25448 10698 1 20 . 1 1 124 124 LYS CA C 124 55.200 55.200 56.001 -0.801 25448 10699 1 20 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.462 1.536 25448 10700 1 20 . 1 1 124 124 LYS H H 124 7.402 7.402 7.094 0.308 25448 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 100 3.406 -0.022 3.423 25448 2 1 1 "Average Difference" HA 125 0.324 -0.031 0.324 25448 3 1 1 "Average Difference" C 2 0.318 0.091 0.431 25448 4 1 1 "Average Difference" CA 117 1.251 -0.034 1.256 25448 5 1 1 "Average Difference" CB 106 1.133 0.047 1.138 25448 6 1 1 "Average Difference" HN 103 0.495 0.142 0.477 25448 7 1 2 "Average Difference" N 100 3.462 0.024 3.479 25448 8 1 2 "Average Difference" HA 125 0.312 -0.049 0.310 25448 9 1 2 "Average Difference" C 2 0.335 0.324 0.122 25448 10 1 2 "Average Difference" CA 117 1.090 -0.011 1.094 25448 11 1 2 "Average Difference" CB 106 1.037 0.027 1.042 25448 12 1 2 "Average Difference" HN 103 0.546 0.126 0.533 25448 13 1 3 "Average Difference" N 100 3.563 0.139 3.579 25448 14 1 3 "Average Difference" HA 125 0.359 -0.034 0.358 25448 15 1 3 "Average Difference" C 2 0.164 0.032 0.228 25448 16 1 3 "Average Difference" CA 117 1.139 -0.125 1.137 25448 17 1 3 "Average Difference" CB 106 1.134 0.109 1.134 25448 18 1 3 "Average Difference" HN 103 0.517 0.138 0.501 25448 19 1 4 "Average Difference" N 100 3.007 0.093 3.021 25448 20 1 4 "Average Difference" HA 125 0.330 0.004 0.331 25448 21 1 4 "Average Difference" C 2 0.332 0.310 0.172 25448 22 1 4 "Average Difference" CA 117 0.947 -0.136 0.941 25448 23 1 4 "Average Difference" CB 106 1.293 0.047 1.298 25448 24 1 4 "Average Difference" HN 103 0.514 0.151 0.494 25448 25 1 5 "Average Difference" N 100 3.265 0.082 3.280 25448 26 1 5 "Average Difference" HA 125 0.360 -0.046 0.358 25448 27 1 5 "Average Difference" C 2 0.317 0.314 0.052 25448 28 1 5 "Average Difference" CA 117 1.065 -0.056 1.068 25448 29 1 5 "Average Difference" CB 106 1.007 -0.024 1.012 25448 30 1 5 "Average Difference" HN 103 0.462 0.104 0.453 25448 31 1 6 "Average Difference" N 100 3.404 -0.154 3.417 25448 32 1 6 "Average Difference" HA 125 0.337 -0.043 0.336 25448 33 1 6 "Average Difference" C 2 1.408 1.153 1.143 25448 34 1 6 "Average Difference" CA 117 1.093 0.042 1.097 25448 35 1 6 "Average Difference" CB 106 1.040 -0.080 1.041 25448 36 1 6 "Average Difference" HN 103 0.513 0.133 0.498 25448 37 1 7 "Average Difference" N 100 3.416 -0.042 3.432 25448 38 1 7 "Average Difference" HA 125 0.357 -0.041 0.356 25448 39 1 7 "Average Difference" C 2 0.953 0.857 0.590 25448 40 1 7 "Average Difference" CA 117 1.060 -0.055 1.063 25448 41 1 7 "Average Difference" CB 106 1.202 0.046 1.207 25448 42 1 7 "Average Difference" HN 103 0.555 0.119 0.545 25448 43 1 8 "Average Difference" N 100 3.336 0.014 3.353 25448 44 1 8 "Average Difference" HA 125 0.344 -0.081 0.336 25448 45 1 8 "Average Difference" C 2 0.692 -0.168 0.950 25448 46 1 8 "Average Difference" CA 117 1.035 0.066 1.037 25448 47 1 8 "Average Difference" CB 106 1.070 -0.141 1.066 25448 48 1 8 "Average Difference" HN 103 0.515 0.158 0.492 25448 49 1 9 "Average Difference" N 100 3.473 -0.025 3.490 25448 50 1 9 "Average Difference" HA 125 0.362 -0.010 0.363 25448 51 1 9 "Average Difference" C 2 0.166 -0.003 0.234 25448 52 1 9 "Average Difference" CA 117 1.007 -0.094 1.007 25448 53 1 9 "Average Difference" CB 106 1.222 0.111 1.223 25448 54 1 9 "Average Difference" HN 103 0.530 0.164 0.506 25448 55 1 10 "Average Difference" N 100 3.637 0.066 3.655 25448 56 1 10 "Average Difference" HA 125 0.319 -0.070 0.312 25448 57 1 10 "Average Difference" C 2 0.461 0.229 0.565 25448 58 1 10 "Average Difference" CA 117 1.047 -0.026 1.051 25448 59 1 10 "Average Difference" CB 106 1.130 -0.038 1.134 25448 60 1 10 "Average Difference" HN 103 0.550 0.106 0.543 25448 61 1 11 "Average Difference" N 100 3.608 0.244 3.618 25448 62 1 11 "Average Difference" HA 125 0.334 -0.019 0.335 25448 63 1 11 "Average Difference" C 2 0.764 0.474 0.847 25448 64 1 11 "Average Difference" CA 117 1.107 -0.093 1.108 25448 65 1 11 "Average Difference" CB 106 1.185 0.043 1.190 25448 66 1 11 "Average Difference" HN 103 0.545 0.153 0.526 25448 67 1 12 "Average Difference" N 100 3.350 0.602 3.313 25448 68 1 12 "Average Difference" HA 125 0.336 -0.054 0.333 25448 69 1 12 "Average Difference" C 2 0.434 -0.360 0.343 25448 70 1 12 "Average Difference" CA 117 1.035 0.045 1.039 25448 71 1 12 "Average Difference" CB 106 1.104 -0.035 1.108 25448 72 1 12 "Average Difference" HN 103 0.528 0.166 0.504 25448 73 1 13 "Average Difference" N 100 3.239 0.117 3.253 25448 74 1 13 "Average Difference" HA 125 0.329 -0.055 0.325 25448 75 1 13 "Average Difference" C 2 0.234 -0.062 0.319 25448 76 1 13 "Average Difference" CA 117 1.180 -0.013 1.185 25448 77 1 13 "Average Difference" CB 106 1.121 -0.025 1.126 25448 78 1 13 "Average Difference" HN 103 0.474 0.133 0.457 25448 79 1 14 "Average Difference" N 100 3.459 0.037 3.477 25448 80 1 14 "Average Difference" HA 125 0.361 -0.050 0.359 25448 81 1 14 "Average Difference" C 2 0.664 0.578 0.462 25448 82 1 14 "Average Difference" CA 117 0.992 -0.080 0.993 25448 83 1 14 "Average Difference" CB 106 1.107 0.026 1.112 25448 84 1 14 "Average Difference" HN 103 0.536 0.111 0.527 25448 85 1 15 "Average Difference" N 100 3.345 0.150 3.358 25448 86 1 15 "Average Difference" HA 125 0.328 -0.044 0.326 25448 87 1 15 "Average Difference" C 2 0.295 0.270 0.170 25448 88 1 15 "Average Difference" CA 117 1.075 -0.067 1.077 25448 89 1 15 "Average Difference" CB 106 1.121 -0.139 1.118 25448 90 1 15 "Average Difference" HN 103 0.507 0.144 0.488 25448 91 1 16 "Average Difference" N 100 3.400 0.138 3.414 25448 92 1 16 "Average Difference" HA 125 0.334 -0.064 0.329 25448 93 1 16 "Average Difference" C 2 0.368 0.360 0.105 25448 94 1 16 "Average Difference" CA 117 1.090 -0.027 1.095 25448 95 1 16 "Average Difference" CB 106 1.203 0.049 1.208 25448 96 1 16 "Average Difference" HN 103 0.499 0.111 0.489 25448 97 1 17 "Average Difference" N 100 3.434 -0.003 3.451 25448 98 1 17 "Average Difference" HA 125 0.368 -0.022 0.369 25448 99 1 17 "Average Difference" C 2 0.336 0.145 0.429 25448 100 1 17 "Average Difference" CA 117 1.130 -0.141 1.126 25448 101 1 17 "Average Difference" CB 106 1.210 0.010 1.216 25448 102 1 17 "Average Difference" HN 103 0.538 0.129 0.525 25448 103 1 18 "Average Difference" N 100 3.604 0.013 3.622 25448 104 1 18 "Average Difference" HA 125 0.348 -0.058 0.344 25448 105 1 18 "Average Difference" C 2 0.542 -0.167 0.729 25448 106 1 18 "Average Difference" CA 117 0.999 -0.087 0.999 25448 107 1 18 "Average Difference" CB 106 1.166 -0.008 1.172 25448 108 1 18 "Average Difference" HN 103 0.509 0.099 0.501 25448 109 1 19 "Average Difference" N 100 3.409 -0.050 3.426 25448 110 1 19 "Average Difference" HA 125 0.343 -0.005 0.344 25448 111 1 19 "Average Difference" C 2 0.064 -0.045 0.064 25448 112 1 19 "Average Difference" CA 117 1.171 -0.052 1.175 25448 113 1 19 "Average Difference" CB 106 1.279 0.125 1.278 25448 114 1 19 "Average Difference" HN 103 0.507 0.136 0.491 25448 115 1 20 "Average Difference" N 100 3.578 0.451 3.567 25448 116 1 20 "Average Difference" HA 125 0.352 -0.062 0.348 25448 117 1 20 "Average Difference" C 2 0.362 -0.266 0.348 25448 118 1 20 "Average Difference" CA 117 1.161 -0.042 1.165 25448 119 1 20 "Average Difference" CB 106 1.028 -0.189 1.015 25448 120 1 20 "Average Difference" HN 103 0.503 0.156 0.480 25448 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 25448 _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 3 3 SER N N 3 113.812 113.812 116.625 -2.813 25448 2 1 . 1 1 3 3 SER HA H 3 4.697 4.697 4.637 0.060 25448 3 1 . 1 1 3 3 SER CA C 3 58.996 58.996 57.310 1.686 25448 4 1 . 1 1 3 3 SER CB C 3 63.800 63.800 63.313 0.487 25448 5 1 . 1 1 3 3 SER H H 3 7.587 7.587 8.373 -0.786 25448 6 1 . 1 1 4 4 PRO HA H 4 4.413 4.413 4.545 -0.132 25448 7 1 . 1 1 4 4 PRO CA C 4 63.354 63.354 63.121 0.233 25448 8 1 . 1 1 4 4 PRO CB C 4 31.900 31.900 32.348 -0.448 25448 9 1 . 1 1 5 5 HIS HA H 5 4.557 4.557 4.610 -0.053 25448 10 1 . 1 1 5 5 HIS CA C 5 56.230 56.230 55.859 0.371 25448 11 1 . 1 1 5 5 HIS CB C 5 30.500 30.500 30.838 -0.338 25448 12 1 . 1 1 5 5 HIS H H 5 6.984 6.984 8.236 -1.252 25448 13 1 . 1 1 6 6 GLN HA H 6 4.288 4.288 4.413 -0.125 25448 14 1 . 1 1 6 6 GLN CA C 6 55.174 55.174 55.751 -0.577 25448 15 1 . 1 1 6 6 GLN CB C 6 30.042 30.042 30.233 -0.191 25448 16 1 . 1 1 7 7 GLU N N 7 124.477 124.477 123.282 1.195 25448 17 1 . 1 1 7 7 GLU HA H 7 4.489 4.489 4.649 -0.160 25448 18 1 . 1 1 7 7 GLU CA C 7 54.111 54.111 53.572 0.539 25448 19 1 . 1 1 7 7 GLU CB C 7 29.912 29.912 31.257 -1.345 25448 20 1 . 1 1 7 7 GLU H H 7 8.353 8.353 8.441 -0.088 25448 21 1 . 1 1 8 8 PRO HA H 8 4.344 4.344 4.542 -0.198 25448 22 1 . 1 1 8 8 PRO CA C 8 62.398 62.398 62.283 0.115 25448 23 1 . 1 1 8 8 PRO CB C 8 31.400 31.400 32.476 -1.076 25448 24 1 . 1 1 9 9 LYS N N 9 122.328 122.328 119.901 2.427 25448 25 1 . 1 1 9 9 LYS HA H 9 4.873 4.873 4.901 -0.028 25448 26 1 . 1 1 9 9 LYS CA C 9 53.151 53.151 52.777 0.374 25448 27 1 . 1 1 9 9 LYS CB C 9 32.139 32.139 33.664 -1.525 25448 28 1 . 1 1 9 9 LYS H H 9 9.336 9.336 8.984 0.352 25448 29 1 . 1 1 10 10 PRO HA H 10 3.923 3.923 4.322 -0.399 25448 30 1 . 1 1 10 10 PRO CA C 10 64.534 64.534 64.415 0.119 25448 31 1 . 1 1 10 10 PRO CB C 10 31.629 31.629 31.547 0.082 25448 32 1 . 1 1 11 11 GLY N N 11 112.758 112.758 114.730 -1.972 25448 33 1 . 1 1 11 11 GLY CA C 11 45.182 45.182 45.058 0.124 25448 34 1 . 1 1 11 11 GLY H H 11 9.359 9.359 9.110 0.249 25448 35 1 . 1 1 12 12 ASP N N 12 120.500 120.500 122.323 -1.823 25448 36 1 . 1 1 12 12 ASP HA H 12 4.870 4.870 4.913 -0.043 25448 37 1 . 1 1 12 12 ASP CA C 12 55.211 55.211 54.929 0.282 25448 38 1 . 1 1 12 12 ASP CB C 12 42.946 42.946 41.463 1.483 25448 39 1 . 1 1 12 12 ASP H H 12 8.277 8.277 8.019 0.258 25448 40 1 . 1 1 13 13 LEU N N 13 119.594 119.594 123.151 -3.557 25448 41 1 . 1 1 13 13 LEU HA H 13 4.977 4.977 4.928 0.049 25448 42 1 . 1 1 13 13 LEU CA C 13 53.989 53.989 54.493 -0.504 25448 43 1 . 1 1 13 13 LEU CB C 13 41.198 41.198 42.180 -0.982 25448 44 1 . 1 1 13 13 LEU H H 13 9.103 9.103 9.144 -0.041 25448 45 1 . 1 1 14 14 ILE N N 14 121.352 121.352 124.635 -3.283 25448 46 1 . 1 1 14 14 ILE HA H 14 4.610 4.610 4.825 -0.215 25448 47 1 . 1 1 14 14 ILE CA C 14 58.178 58.178 59.567 -1.389 25448 48 1 . 1 1 14 14 ILE CB C 14 39.213 39.213 39.221 -0.008 25448 49 1 . 1 1 14 14 ILE H H 14 9.221 9.221 9.358 -0.137 25448 50 1 . 1 1 15 15 GLU N N 15 129.555 129.555 127.675 1.880 25448 51 1 . 1 1 15 15 GLU HA H 15 3.218 3.218 4.447 -1.229 25448 52 1 . 1 1 15 15 GLU CA C 15 54.448 54.448 54.595 -0.147 25448 53 1 . 1 1 15 15 GLU CB C 15 31.783 31.783 32.094 -0.311 25448 54 1 . 1 1 15 15 GLU H H 15 8.625 8.625 9.164 -0.539 25448 55 1 . 1 1 16 16 ILE N N 16 125.258 125.258 124.308 0.950 25448 56 1 . 1 1 16 16 ILE HA H 16 4.109 4.109 4.534 -0.425 25448 57 1 . 1 1 16 16 ILE CA C 16 60.500 60.500 59.724 0.776 25448 58 1 . 1 1 16 16 ILE CB C 16 40.401 40.401 40.630 -0.229 25448 59 1 . 1 1 16 16 ILE H H 16 8.557 8.557 8.623 -0.066 25448 60 1 . 1 1 17 17 PHE N N 17 127.058 127.058 126.859 0.199 25448 61 1 . 1 1 17 17 PHE HA H 17 4.502 4.502 4.711 -0.209 25448 62 1 . 1 1 17 17 PHE CA C 17 58.939 58.939 56.809 2.130 25448 63 1 . 1 1 17 17 PHE CB C 17 37.496 37.496 37.916 -0.420 25448 64 1 . 1 1 17 17 PHE H H 17 8.500 8.500 8.973 -0.473 25448 65 1 . 1 1 18 18 ARG N N 18 124.569 124.569 121.600 2.969 25448 66 1 . 1 1 18 18 ARG HA H 18 4.650 4.650 4.355 0.295 25448 67 1 . 1 1 18 18 ARG CA C 18 54.596 54.596 55.080 -0.484 25448 68 1 . 1 1 18 18 ARG CB C 18 30.206 30.206 31.737 -1.531 25448 69 1 . 1 1 18 18 ARG H H 18 7.686 7.686 7.924 -0.238 25448 70 1 . 1 1 19 19 LEU N N 19 121.049 121.049 123.894 -2.845 25448 71 1 . 1 1 19 19 LEU HA H 19 4.424 4.424 4.176 0.248 25448 72 1 . 1 1 19 19 LEU CA C 19 56.123 56.123 56.058 0.065 25448 73 1 . 1 1 19 19 LEU CB C 19 40.296 40.296 41.555 -1.259 25448 74 1 . 1 1 19 19 LEU H H 19 8.103 8.103 8.635 -0.532 25448 75 1 . 1 1 20 20 GLY N N 20 115.623 115.623 113.021 2.602 25448 76 1 . 1 1 20 20 GLY CA C 20 45.736 45.736 45.169 0.567 25448 77 1 . 1 1 20 20 GLY H H 20 8.686 8.686 8.715 -0.029 25448 78 1 . 1 1 21 21 TYR N N 21 115.905 115.905 121.576 -5.671 25448 79 1 . 1 1 21 21 TYR HA H 21 4.760 4.760 4.658 0.102 25448 80 1 . 1 1 21 21 TYR CA C 21 56.507 56.507 57.112 -0.605 25448 81 1 . 1 1 21 21 TYR CB C 21 38.631 38.631 40.383 -1.753 25448 82 1 . 1 1 21 21 TYR H H 21 7.433 7.433 7.959 -0.526 25448 83 1 . 1 1 22 22 GLU N N 22 116.649 116.649 122.141 -5.492 25448 84 1 . 1 1 22 22 GLU HA H 22 5.160 5.160 4.504 0.656 25448 85 1 . 1 1 22 22 GLU CA C 22 56.255 56.255 56.230 0.026 25448 86 1 . 1 1 22 22 GLU CB C 22 32.167 32.167 30.587 1.580 25448 87 1 . 1 1 22 22 GLU H H 22 8.139 8.139 8.598 -0.459 25448 88 1 . 1 1 23 23 HIS N N 23 122.171 122.171 118.595 3.576 25448 89 1 . 1 1 23 23 HIS HA H 23 5.588 5.588 4.896 0.692 25448 90 1 . 1 1 23 23 HIS CA C 23 54.161 54.161 54.802 -0.641 25448 91 1 . 1 1 23 23 HIS CB C 23 34.370 34.370 33.431 0.939 25448 92 1 . 1 1 23 23 HIS H H 23 8.943 8.943 8.530 0.413 25448 93 1 . 1 1 24 24 TRP N N 24 124.412 124.412 119.349 5.063 25448 94 1 . 1 1 24 24 TRP HA H 24 5.697 5.697 5.604 0.093 25448 95 1 . 1 1 24 24 TRP CA C 24 55.906 55.906 56.240 -0.334 25448 96 1 . 1 1 24 24 TRP CB C 24 33.156 33.156 34.765 -1.609 25448 97 1 . 1 1 24 24 TRP H H 24 6.764 6.764 8.325 -1.561 25448 98 1 . 1 1 25 25 ALA N N 25 121.149 121.149 121.352 -0.203 25448 99 1 . 1 1 25 25 ALA HA H 25 4.861 4.861 5.165 -0.304 25448 100 1 . 1 1 25 25 ALA CA C 25 50.352 50.352 50.964 -0.612 25448 101 1 . 1 1 25 25 ALA CB C 25 22.953 22.953 23.344 -0.391 25448 102 1 . 1 1 25 25 ALA H H 25 9.336 9.336 9.195 0.141 25448 103 1 . 1 1 26 26 LEU N N 26 122.472 122.472 123.053 -0.581 25448 104 1 . 1 1 26 26 LEU HA H 26 5.260 5.260 5.271 -0.011 25448 105 1 . 1 1 26 26 LEU CA C 26 53.641 53.641 52.902 0.739 25448 106 1 . 1 1 26 26 LEU CB C 26 45.421 45.421 43.671 1.750 25448 107 1 . 1 1 26 26 LEU H H 26 8.835 8.835 9.008 -0.173 25448 108 1 . 1 1 27 27 TYR N N 27 128.215 128.215 129.067 -0.852 25448 109 1 . 1 1 27 27 TYR HA H 27 4.752 4.752 4.720 0.032 25448 110 1 . 1 1 27 27 TYR CA C 27 59.802 59.802 58.402 1.400 25448 111 1 . 1 1 27 27 TYR CB C 27 38.670 38.670 39.966 -1.296 25448 112 1 . 1 1 27 27 TYR H H 27 9.750 9.750 9.198 0.552 25448 113 1 . 1 1 28 28 ILE N N 28 119.796 119.796 121.867 -2.071 25448 114 1 . 1 1 28 28 ILE HA H 28 4.573 4.573 4.488 0.085 25448 115 1 . 1 1 28 28 ILE CA C 28 60.818 60.818 60.216 0.602 25448 116 1 . 1 1 28 28 ILE CB C 28 38.900 38.900 38.977 -0.077 25448 117 1 . 1 1 28 28 ILE H H 28 8.196 8.196 8.027 0.169 25448 118 1 . 1 1 29 29 GLY CA C 29 44.000 44.000 44.623 -0.623 25448 119 1 . 1 1 29 29 GLY H H 29 6.584 6.584 6.881 -0.297 25448 120 1 . 1 1 30 30 ASP HA H 30 4.422 4.422 4.411 0.011 25448 121 1 . 1 1 30 30 ASP CA C 30 55.640 55.640 54.799 0.841 25448 122 1 . 1 1 30 30 ASP CB C 30 40.253 40.253 40.299 -0.046 25448 123 1 . 1 1 30 30 ASP H H 30 6.837 6.837 8.628 -1.791 25448 124 1 . 1 1 31 31 GLY N N 31 124.953 124.953 103.554 21.399 25448 125 1 . 1 1 31 31 GLY CA C 31 45.538 45.538 45.270 0.267 25448 126 1 . 1 1 31 31 GLY H H 31 8.120 8.120 7.846 0.274 25448 127 1 . 1 1 32 32 TYR N N 32 120.196 120.196 120.720 -0.524 25448 128 1 . 1 1 32 32 TYR HA H 32 4.930 4.930 5.040 -0.110 25448 129 1 . 1 1 32 32 TYR CA C 32 58.788 58.788 58.372 0.416 25448 130 1 . 1 1 32 32 TYR CB C 32 41.995 41.995 40.490 1.505 25448 131 1 . 1 1 32 32 TYR H H 32 7.843 7.843 7.647 0.196 25448 132 1 . 1 1 33 33 VAL N N 33 109.892 109.892 114.174 -4.282 25448 133 1 . 1 1 33 33 VAL HA H 33 5.466 5.466 5.168 0.299 25448 134 1 . 1 1 33 33 VAL CA C 33 57.460 57.460 59.566 -2.106 25448 135 1 . 1 1 33 33 VAL CB C 33 35.157 35.157 35.776 -0.619 25448 136 1 . 1 1 33 33 VAL H H 33 9.242 9.242 9.325 -0.083 25448 137 1 . 1 1 34 34 ILE N N 34 119.424 119.424 121.880 -2.456 25448 138 1 . 1 1 34 34 ILE HA H 34 5.555 5.555 5.295 0.260 25448 139 1 . 1 1 34 34 ILE CA C 34 60.331 60.331 59.988 0.343 25448 140 1 . 1 1 34 34 ILE CB C 34 40.932 40.932 40.515 0.416 25448 141 1 . 1 1 34 34 ILE H H 34 9.084 9.084 9.022 0.062 25448 142 1 . 1 1 35 35 HIS N N 35 123.118 123.118 121.183 1.935 25448 143 1 . 1 1 35 35 HIS HA H 35 5.158 5.158 5.334 -0.176 25448 144 1 . 1 1 35 35 HIS CA C 35 54.218 54.218 54.564 -0.346 25448 145 1 . 1 1 35 35 HIS CB C 35 35.000 35.000 32.693 2.307 25448 146 1 . 1 1 35 35 HIS H H 35 9.110 9.110 9.154 -0.044 25448 147 1 . 1 1 36 36 LEU N N 36 123.704 123.704 122.453 1.251 25448 148 1 . 1 1 36 36 LEU HA H 36 4.084 4.084 4.617 -0.533 25448 149 1 . 1 1 36 36 LEU CA C 36 53.682 53.682 53.845 -0.163 25448 150 1 . 1 1 36 36 LEU CB C 36 41.631 41.631 43.992 -2.361 25448 151 1 . 1 1 36 36 LEU H H 36 8.991 8.991 8.775 0.216 25448 152 1 . 1 1 37 37 ALA N N 37 129.765 129.765 128.957 0.808 25448 153 1 . 1 1 37 37 ALA HA H 37 4.327 4.327 4.886 -0.559 25448 154 1 . 1 1 37 37 ALA CA C 37 49.698 49.698 49.183 0.515 25448 155 1 . 1 1 37 37 ALA CB C 37 19.428 19.428 19.407 0.021 25448 156 1 . 1 1 37 37 ALA H H 37 8.050 8.050 8.801 -0.751 25448 157 1 . 1 1 38 38 PRO HA H 38 4.004 4.004 4.607 -0.603 25448 158 1 . 1 1 38 38 PRO CA C 38 60.800 60.800 61.477 -0.677 25448 159 1 . 1 1 38 38 PRO CB C 38 30.528 30.528 31.356 -0.828 25448 160 1 . 1 1 39 39 PRO HA H 39 4.374 4.374 4.474 -0.100 25448 161 1 . 1 1 39 39 PRO CA C 39 62.900 62.900 62.959 -0.059 25448 162 1 . 1 1 39 39 PRO CB C 39 32.000 32.000 32.403 -0.403 25448 163 1 . 1 1 40 40 SER N N 40 114.906 114.906 115.033 -0.127 25448 164 1 . 1 1 40 40 SER HA H 40 4.326 4.326 4.346 -0.020 25448 165 1 . 1 1 40 40 SER CA C 40 58.700 58.700 58.764 -0.064 25448 166 1 . 1 1 40 40 SER CB C 40 64.004 64.004 63.661 0.343 25448 167 1 . 1 1 40 40 SER H H 40 8.184 8.184 8.439 -0.256 25448 168 1 . 1 1 41 41 GLU N N 41 121.221 121.221 120.493 0.728 25448 169 1 . 1 1 41 41 GLU HA H 41 4.261 4.261 4.218 0.043 25448 170 1 . 1 1 41 41 GLU CA C 41 56.424 56.424 56.401 0.023 25448 171 1 . 1 1 41 41 GLU CB C 41 30.514 30.514 30.650 -0.136 25448 172 1 . 1 1 41 41 GLU H H 41 8.401 8.401 7.958 0.443 25448 173 1 . 1 1 42 42 TYR N N 42 121.900 121.900 121.723 0.177 25448 174 1 . 1 1 42 42 TYR HA H 42 4.780 4.780 4.573 0.207 25448 175 1 . 1 1 42 42 TYR CA C 42 55.700 55.700 57.076 -1.376 25448 176 1 . 1 1 42 42 TYR CB C 42 38.400 38.400 38.187 0.213 25448 177 1 . 1 1 42 42 TYR H H 42 8.117 8.117 8.199 -0.082 25448 178 1 . 1 1 43 43 PRO HA H 43 4.403 4.403 4.381 0.022 25448 179 1 . 1 1 43 43 PRO CA C 43 63.480 63.480 62.848 0.632 25448 180 1 . 1 1 43 43 PRO CB C 43 31.800 31.800 32.520 -0.720 25448 181 1 . 1 1 44 44 GLY N N 44 109.030 109.030 108.271 0.759 25448 182 1 . 1 1 44 44 GLY CA C 44 45.244 45.244 44.757 0.487 25448 183 1 . 1 1 44 44 GLY H H 44 8.001 8.001 8.245 -0.244 25448 184 1 . 1 1 45 45 ALA N N 45 123.500 123.500 122.845 0.655 25448 185 1 . 1 1 45 45 ALA HA H 45 4.312 4.312 4.353 -0.041 25448 186 1 . 1 1 45 45 ALA CA C 45 52.853 52.853 52.456 0.397 25448 187 1 . 1 1 45 45 ALA CB C 45 19.322 19.322 19.194 0.128 25448 188 1 . 1 1 45 45 ALA H H 45 8.082 8.082 7.985 0.097 25448 189 1 . 1 1 46 46 GLY N N 46 108.151 108.151 107.677 0.474 25448 190 1 . 1 1 46 46 GLY CA C 46 45.460 45.460 44.944 0.516 25448 191 1 . 1 1 46 46 GLY H H 46 8.408 8.408 8.051 0.357 25448 192 1 . 1 1 48 48 SER N N 48 116.904 116.904 116.942 -0.038 25448 193 1 . 1 1 48 48 SER HA H 48 4.700 4.700 4.448 0.252 25448 194 1 . 1 1 48 48 SER H H 48 8.044 8.044 8.191 -0.147 25448 195 1 . 1 1 49 49 SER HA H 49 4.456 4.456 4.385 0.071 25448 196 1 . 1 1 49 49 SER CA C 49 58.713 58.713 58.554 0.159 25448 197 1 . 1 1 49 49 SER CB C 49 64.000 64.000 63.641 0.359 25448 198 1 . 1 1 50 50 VAL N N 50 120.352 120.352 119.629 0.723 25448 199 1 . 1 1 50 50 VAL HA H 50 4.033 4.033 3.878 0.155 25448 200 1 . 1 1 50 50 VAL CA C 50 62.816 62.816 64.415 -1.599 25448 201 1 . 1 1 50 50 VAL CB C 50 32.416 32.416 30.837 1.579 25448 202 1 . 1 1 50 50 VAL H H 50 7.890 7.890 8.266 -0.376 25448 203 1 . 1 1 51 51 PHE N N 51 121.600 121.600 119.581 2.019 25448 204 1 . 1 1 51 51 PHE HA H 51 4.576 4.576 4.399 0.177 25448 205 1 . 1 1 51 51 PHE CA C 51 58.198 58.198 59.750 -1.552 25448 206 1 . 1 1 51 51 PHE CB C 51 39.470 39.470 38.848 0.622 25448 207 1 . 1 1 51 51 PHE H H 51 7.989 7.989 7.821 0.168 25448 208 1 . 1 1 52 52 SER N N 52 116.521 116.521 114.109 2.412 25448 209 1 . 1 1 52 52 SER HA H 52 4.429 4.429 4.394 0.035 25448 210 1 . 1 1 52 52 SER C C 52 174.445 174.445 174.701 -0.256 25448 211 1 . 1 1 52 52 SER CA C 52 58.365 58.365 59.363 -0.999 25448 212 1 . 1 1 52 52 SER CB C 52 64.018 64.018 63.981 0.037 25448 213 1 . 1 1 52 52 SER H H 52 8.018 8.018 8.068 -0.050 25448 214 1 . 1 1 53 53 VAL N N 53 120.571 120.571 119.560 1.011 25448 215 1 . 1 1 53 53 VAL HA H 53 4.103 4.103 4.134 -0.031 25448 216 1 . 1 1 53 53 VAL CA C 53 62.979 62.979 62.488 0.492 25448 217 1 . 1 1 53 53 VAL CB C 53 32.416 32.416 32.791 -0.375 25448 218 1 . 1 1 53 53 VAL H H 53 7.959 7.959 7.778 0.180 25448 219 1 . 1 1 54 54 LEU N N 54 123.703 123.703 124.285 -0.582 25448 220 1 . 1 1 54 54 LEU HA H 54 4.366 4.366 4.431 -0.065 25448 221 1 . 1 1 54 54 LEU CA C 54 55.500 55.500 55.146 0.354 25448 222 1 . 1 1 54 54 LEU CB C 54 42.293 42.293 42.730 -0.437 25448 223 1 . 1 1 54 54 LEU H H 54 8.095 8.095 8.164 -0.069 25448 224 1 . 1 1 55 55 SER N N 55 115.309 115.309 114.360 0.949 25448 225 1 . 1 1 55 55 SER HA H 55 4.399 4.399 4.368 0.031 25448 226 1 . 1 1 55 55 SER CA C 55 58.365 58.365 58.409 -0.044 25448 227 1 . 1 1 55 55 SER CB C 55 64.110 64.110 63.856 0.255 25448 228 1 . 1 1 55 55 SER H H 55 8.063 8.063 8.132 -0.069 25448 229 1 . 1 1 56 56 ASN HA H 56 4.918 4.918 4.816 0.102 25448 230 1 . 1 1 56 56 ASN CA C 56 53.151 53.151 53.102 0.049 25448 231 1 . 1 1 56 56 ASN CB C 56 39.339 39.339 40.009 -0.670 25448 232 1 . 1 1 57 57 SER N N 57 115.102 115.102 115.292 -0.190 25448 233 1 . 1 1 57 57 SER HA H 57 4.694 4.694 4.702 -0.008 25448 234 1 . 1 1 57 57 SER CA C 57 58.307 58.307 57.885 0.422 25448 235 1 . 1 1 57 57 SER CB C 57 64.838 64.838 65.306 -0.468 25448 236 1 . 1 1 57 57 SER H H 57 8.065 8.065 8.183 -0.118 25448 237 1 . 1 1 58 58 ALA N N 58 125.610 125.610 124.240 1.370 25448 238 1 . 1 1 58 58 ALA HA H 58 4.494 4.494 4.750 -0.256 25448 239 1 . 1 1 58 58 ALA CA C 58 51.281 51.281 50.775 0.506 25448 240 1 . 1 1 58 58 ALA CB C 58 22.479 22.479 21.106 1.373 25448 241 1 . 1 1 58 58 ALA H H 58 8.548 8.548 8.660 -0.112 25448 242 1 . 1 1 59 59 GLU N N 59 120.190 120.190 120.925 -0.735 25448 243 1 . 1 1 59 59 GLU HA H 59 5.033 5.033 5.048 -0.015 25448 244 1 . 1 1 59 59 GLU CA C 59 54.004 54.004 54.261 -0.257 25448 245 1 . 1 1 59 59 GLU CB C 59 34.292 34.292 33.962 0.330 25448 246 1 . 1 1 59 59 GLU H H 59 8.116 8.116 8.310 -0.194 25448 247 1 . 1 1 60 60 VAL N N 60 125.380 125.380 126.172 -0.792 25448 248 1 . 1 1 60 60 VAL HA H 60 4.338 4.338 4.045 0.293 25448 249 1 . 1 1 60 60 VAL CA C 60 62.784 62.784 62.926 -0.142 25448 250 1 . 1 1 60 60 VAL CB C 60 30.756 30.756 31.139 -0.383 25448 251 1 . 1 1 60 60 VAL H H 60 8.531 8.531 8.911 -0.380 25448 252 1 . 1 1 61 61 LYS N N 61 129.548 129.548 126.638 2.910 25448 253 1 . 1 1 61 61 LYS HA H 61 4.900 4.900 4.681 0.219 25448 254 1 . 1 1 61 61 LYS CA C 61 55.584 55.584 54.281 1.303 25448 255 1 . 1 1 61 61 LYS CB C 61 38.034 38.034 37.101 0.933 25448 256 1 . 1 1 61 61 LYS H H 61 9.068 9.068 8.769 0.299 25448 257 1 . 1 1 62 62 ARG N N 62 123.653 123.653 122.814 0.839 25448 258 1 . 1 1 62 62 ARG HA H 62 5.702 5.702 5.294 0.408 25448 259 1 . 1 1 62 62 ARG CA C 62 54.386 54.386 55.125 -0.739 25448 260 1 . 1 1 62 62 ARG CB C 62 31.958 31.958 32.188 -0.230 25448 261 1 . 1 1 62 62 ARG H H 62 8.749 8.749 8.586 0.163 25448 262 1 . 1 1 63 63 GLU N N 63 125.033 125.033 124.404 0.629 25448 263 1 . 1 1 63 63 GLU HA H 63 4.998 4.998 4.823 0.175 25448 264 1 . 1 1 63 63 GLU CA C 63 54.878 54.878 54.851 0.027 25448 265 1 . 1 1 63 63 GLU CB C 63 36.983 36.983 34.140 2.843 25448 266 1 . 1 1 63 63 GLU H H 63 8.973 8.973 9.200 -0.227 25448 267 1 . 1 1 64 64 ARG N N 64 121.855 121.855 120.192 1.663 25448 268 1 . 1 1 64 64 ARG HA H 64 3.900 3.900 4.007 -0.107 25448 269 1 . 1 1 64 64 ARG CA C 64 56.900 56.900 56.832 0.068 25448 270 1 . 1 1 64 64 ARG CB C 64 29.546 29.546 30.333 -0.787 25448 271 1 . 1 1 64 64 ARG H H 64 9.273 9.273 8.669 0.604 25448 272 1 . 1 1 65 65 LEU N N 65 124.611 124.611 126.473 -1.862 25448 273 1 . 1 1 65 65 LEU HA H 65 3.570 3.570 3.850 -0.280 25448 274 1 . 1 1 65 65 LEU CA C 65 59.010 59.010 58.816 0.194 25448 275 1 . 1 1 65 65 LEU CB C 65 41.723 41.723 41.907 -0.184 25448 276 1 . 1 1 65 65 LEU H H 65 8.823 8.823 8.800 0.023 25448 277 1 . 1 1 66 66 GLU N N 66 115.188 115.188 118.423 -3.235 25448 278 1 . 1 1 66 66 GLU HA H 66 3.835 3.835 3.742 0.093 25448 279 1 . 1 1 66 66 GLU CA C 66 59.654 59.654 59.803 -0.149 25448 280 1 . 1 1 66 66 GLU CB C 66 29.160 29.160 28.652 0.508 25448 281 1 . 1 1 66 66 GLU H H 66 9.360 9.360 8.714 0.646 25448 282 1 . 1 1 67 67 ASP N N 67 118.590 118.590 118.512 0.078 25448 283 1 . 1 1 67 67 ASP HA H 67 4.460 4.460 4.384 0.076 25448 284 1 . 1 1 67 67 ASP CA C 67 56.567 56.567 56.780 -0.213 25448 285 1 . 1 1 67 67 ASP CB C 67 40.670 40.670 40.632 0.038 25448 286 1 . 1 1 67 67 ASP H H 67 6.806 6.806 8.124 -1.318 25448 287 1 . 1 1 68 68 VAL N N 68 119.985 119.985 118.973 1.012 25448 288 1 . 1 1 68 68 VAL HA H 68 3.616 3.616 3.665 -0.049 25448 289 1 . 1 1 68 68 VAL CA C 68 65.070 65.070 65.350 -0.280 25448 290 1 . 1 1 68 68 VAL CB C 68 32.167 32.167 31.852 0.315 25448 291 1 . 1 1 68 68 VAL H H 68 7.414 7.414 7.964 -0.550 25448 292 1 . 1 1 69 69 VAL N N 69 116.972 116.972 115.112 1.860 25448 293 1 . 1 1 69 69 VAL HA H 69 3.502 3.502 3.852 -0.350 25448 294 1 . 1 1 69 69 VAL CA C 69 65.337 65.337 62.745 2.592 25448 295 1 . 1 1 69 69 VAL CB C 69 32.036 32.036 31.299 0.737 25448 296 1 . 1 1 69 69 VAL H H 69 8.261 8.261 8.168 0.093 25448 297 1 . 1 1 70 70 GLY N N 70 107.311 107.311 109.323 -2.012 25448 298 1 . 1 1 70 70 GLY CA C 70 47.610 47.610 46.142 1.468 25448 299 1 . 1 1 70 70 GLY H H 70 7.395 7.395 7.796 -0.401 25448 300 1 . 1 1 71 71 GLY N N 71 110.582 110.582 111.967 -1.385 25448 301 1 . 1 1 71 71 GLY CA C 71 45.176 45.176 44.973 0.203 25448 302 1 . 1 1 71 71 GLY H H 71 8.831 8.831 8.602 0.229 25448 303 1 . 1 1 72 72 CYS N N 72 118.742 118.742 118.085 0.657 25448 304 1 . 1 1 72 72 CYS HA H 72 4.498 4.498 4.682 -0.184 25448 305 1 . 1 1 72 72 CYS CA C 72 60.154 60.154 58.793 1.361 25448 306 1 . 1 1 72 72 CYS CB C 72 29.295 29.295 29.552 -0.257 25448 307 1 . 1 1 72 72 CYS H H 72 7.613 7.613 7.709 -0.096 25448 308 1 . 1 1 73 73 CYS N N 73 120.205 120.205 121.777 -1.572 25448 309 1 . 1 1 73 73 CYS HA H 73 4.531 4.531 4.727 -0.196 25448 310 1 . 1 1 73 73 CYS CA C 73 59.792 59.792 59.159 0.633 25448 311 1 . 1 1 73 73 CYS CB C 73 28.046 28.046 28.997 -0.951 25448 312 1 . 1 1 73 73 CYS H H 73 9.007 9.007 8.827 0.180 25448 313 1 . 1 1 74 74 TYR N N 74 119.008 119.008 118.805 0.203 25448 314 1 . 1 1 74 74 TYR HA H 74 5.597 5.597 5.548 0.049 25448 315 1 . 1 1 74 74 TYR CA C 74 55.590 55.590 56.429 -0.839 25448 316 1 . 1 1 74 74 TYR CB C 74 41.876 41.876 41.115 0.761 25448 317 1 . 1 1 74 74 TYR H H 74 8.141 8.141 8.280 -0.139 25448 318 1 . 1 1 75 75 ARG N N 75 115.457 115.457 118.035 -2.577 25448 319 1 . 1 1 75 75 ARG HA H 75 4.639 4.639 4.664 -0.025 25448 320 1 . 1 1 75 75 ARG CA C 75 53.995 53.995 54.705 -0.710 25448 321 1 . 1 1 75 75 ARG CB C 75 33.235 33.235 34.287 -1.052 25448 322 1 . 1 1 75 75 ARG H H 75 9.008 9.008 9.057 -0.049 25448 323 1 . 1 1 76 76 VAL N N 76 123.071 123.071 121.653 1.418 25448 324 1 . 1 1 76 76 VAL HA H 76 4.563 4.563 4.538 0.025 25448 325 1 . 1 1 76 76 VAL CA C 76 62.968 62.968 62.020 0.948 25448 326 1 . 1 1 76 76 VAL CB C 76 31.965 31.965 32.249 -0.284 25448 327 1 . 1 1 76 76 VAL H H 76 8.511 8.511 9.155 -0.644 25448 328 1 . 1 1 77 77 ASN N N 77 126.125 126.125 126.413 -0.288 25448 329 1 . 1 1 77 77 ASN HA H 77 4.855 4.855 4.881 -0.026 25448 330 1 . 1 1 77 77 ASN CA C 77 52.072 52.072 52.852 -0.780 25448 331 1 . 1 1 77 77 ASN CB C 77 38.640 38.640 39.360 -0.720 25448 332 1 . 1 1 77 77 ASN H H 77 8.824 8.824 9.053 -0.229 25448 333 1 . 1 1 78 78 ASN N N 78 124.269 124.269 122.872 1.396 25448 334 1 . 1 1 78 78 ASN HA H 78 5.346 5.346 4.819 0.527 25448 335 1 . 1 1 78 78 ASN CA C 78 52.124 52.124 52.903 -0.779 25448 336 1 . 1 1 78 78 ASN CB C 78 36.948 36.948 36.982 -0.034 25448 337 1 . 1 1 78 78 ASN H H 78 8.685 8.685 8.806 -0.121 25448 338 1 . 1 1 79 79 SER N N 79 117.959 117.959 117.311 0.648 25448 339 1 . 1 1 79 79 SER HA H 79 4.112 4.112 4.228 -0.116 25448 340 1 . 1 1 79 79 SER CA C 79 62.669 62.669 60.909 1.759 25448 341 1 . 1 1 79 79 SER CB C 79 63.727 63.727 63.411 0.316 25448 342 1 . 1 1 79 79 SER H H 79 8.109 8.109 8.141 -0.032 25448 343 1 . 1 1 80 80 LEU N N 80 121.272 121.272 121.469 -0.197 25448 344 1 . 1 1 80 80 LEU HA H 80 4.470 4.470 4.113 0.357 25448 345 1 . 1 1 80 80 LEU CA C 80 55.542 55.542 55.890 -0.348 25448 346 1 . 1 1 80 80 LEU CB C 80 41.500 41.500 41.281 0.219 25448 347 1 . 1 1 80 80 LEU H H 80 7.947 7.947 7.991 -0.044 25448 348 1 . 1 1 81 81 ASP N N 81 121.692 121.692 120.056 1.636 25448 349 1 . 1 1 81 81 ASP HA H 81 5.090 5.090 4.390 0.700 25448 350 1 . 1 1 81 81 ASP CA C 81 56.604 56.604 56.844 -0.240 25448 351 1 . 1 1 81 81 ASP CB C 81 40.300 40.300 41.052 -0.752 25448 352 1 . 1 1 81 81 ASP H H 81 8.294 8.294 7.854 0.440 25448 353 1 . 1 1 82 82 HIS HA H 82 4.455 4.455 4.532 -0.077 25448 354 1 . 1 1 82 82 HIS CA C 82 57.900 57.900 57.476 0.424 25448 355 1 . 1 1 82 82 HIS CB C 82 29.766 29.766 30.329 -0.563 25448 356 1 . 1 1 83 83 GLU N N 83 118.940 118.940 118.310 0.630 25448 357 1 . 1 1 83 83 GLU HA H 83 4.153 4.153 4.056 0.097 25448 358 1 . 1 1 83 83 GLU CA C 83 56.870 56.870 57.091 -0.221 25448 359 1 . 1 1 83 83 GLU CB C 83 32.422 32.422 30.911 1.511 25448 360 1 . 1 1 83 83 GLU H H 83 7.476 7.476 7.718 -0.242 25448 361 1 . 1 1 84 84 TYR N N 84 119.225 119.225 118.217 1.008 25448 362 1 . 1 1 84 84 TYR HA H 84 4.766 4.766 4.800 -0.034 25448 363 1 . 1 1 84 84 TYR CA C 84 54.923 54.923 56.278 -1.355 25448 364 1 . 1 1 84 84 TYR CB C 84 41.224 41.224 39.796 1.428 25448 365 1 . 1 1 84 84 TYR H H 84 8.207 8.207 7.935 0.272 25448 366 1 . 1 1 85 85 GLN N N 85 119.667 119.667 120.579 -0.912 25448 367 1 . 1 1 85 85 GLN HA H 85 4.798 4.798 4.511 0.287 25448 368 1 . 1 1 85 85 GLN CA C 85 53.203 53.203 54.512 -1.309 25448 369 1 . 1 1 85 85 GLN CB C 85 29.366 29.366 28.354 1.012 25448 370 1 . 1 1 85 85 GLN H H 85 8.264 8.264 8.692 -0.428 25448 371 1 . 1 1 86 86 PRO HA H 86 4.422 4.422 4.423 -0.001 25448 372 1 . 1 1 86 86 PRO CA C 86 62.611 62.611 63.511 -0.900 25448 373 1 . 1 1 86 86 PRO CB C 86 31.850 31.850 32.041 -0.191 25448 374 1 . 1 1 87 87 ARG N N 87 121.150 121.150 123.173 -2.023 25448 375 1 . 1 1 87 87 ARG HA H 87 4.405 4.405 4.725 -0.320 25448 376 1 . 1 1 87 87 ARG CA C 87 55.600 55.600 53.062 2.538 25448 377 1 . 1 1 87 87 ARG CB C 87 29.301 29.301 30.070 -0.769 25448 378 1 . 1 1 87 87 ARG H H 87 8.254 8.254 8.354 -0.100 25448 379 1 . 1 1 88 88 PRO HA H 88 4.447 4.447 4.574 -0.127 25448 380 1 . 1 1 88 88 PRO CA C 88 62.979 62.979 62.673 0.306 25448 381 1 . 1 1 88 88 PRO CB C 88 32.270 32.270 32.323 -0.053 25448 382 1 . 1 1 89 89 VAL N N 89 125.682 125.682 126.400 -0.718 25448 383 1 . 1 1 89 89 VAL HA H 89 3.501 3.501 3.624 -0.123 25448 384 1 . 1 1 89 89 VAL CA C 89 67.411 67.411 65.765 1.646 25448 385 1 . 1 1 89 89 VAL CB C 89 31.635 31.635 31.997 -0.362 25448 386 1 . 1 1 89 89 VAL H H 89 8.678 8.678 8.595 0.083 25448 387 1 . 1 1 90 90 GLU N N 90 117.092 117.092 119.040 -1.948 25448 388 1 . 1 1 90 90 GLU HA H 90 4.027 4.027 4.078 -0.051 25448 389 1 . 1 1 90 90 GLU CA C 90 60.015 60.015 59.390 0.625 25448 390 1 . 1 1 90 90 GLU CB C 90 28.633 28.633 28.800 -0.167 25448 391 1 . 1 1 90 90 GLU H H 90 9.318 9.318 8.892 0.426 25448 392 1 . 1 1 91 91 VAL N N 91 119.967 119.967 120.142 -0.175 25448 393 1 . 1 1 91 91 VAL HA H 91 3.864 3.864 3.770 0.094 25448 394 1 . 1 1 91 91 VAL CA C 91 65.000 65.000 65.677 -0.677 25448 395 1 . 1 1 91 91 VAL CB C 91 31.901 31.901 31.487 0.414 25448 396 1 . 1 1 91 91 VAL H H 91 7.153 7.153 7.709 -0.556 25448 397 1 . 1 1 92 92 ILE N N 92 122.669 122.669 121.696 0.973 25448 398 1 . 1 1 92 92 ILE HA H 92 3.310 3.310 3.876 -0.566 25448 399 1 . 1 1 92 92 ILE CA C 92 66.711 66.711 65.434 1.277 25448 400 1 . 1 1 92 92 ILE CB C 92 38.563 38.563 37.881 0.682 25448 401 1 . 1 1 92 92 ILE H H 92 8.004 8.004 7.358 0.646 25448 402 1 . 1 1 93 93 ILE N N 93 115.049 115.049 119.993 -4.944 25448 403 1 . 1 1 93 93 ILE HA H 93 3.532 3.532 3.607 -0.075 25448 404 1 . 1 1 93 93 ILE CA C 93 65.085 65.085 65.263 -0.178 25448 405 1 . 1 1 93 93 ILE CB C 93 37.163 37.163 37.388 -0.225 25448 406 1 . 1 1 93 93 ILE H H 93 8.305 8.305 8.321 -0.016 25448 407 1 . 1 1 94 94 SER N N 94 115.196 115.196 116.222 -1.026 25448 408 1 . 1 1 94 94 SER HA H 94 4.101 4.101 4.067 0.034 25448 409 1 . 1 1 94 94 SER CA C 94 62.300 62.300 62.266 0.034 25448 410 1 . 1 1 94 94 SER H H 94 7.927 7.927 8.426 -0.499 25448 411 1 . 1 1 95 95 SER N N 95 117.891 117.891 118.435 -0.544 25448 412 1 . 1 1 95 95 SER HA H 95 4.209 4.209 4.128 0.081 25448 413 1 . 1 1 95 95 SER CA C 95 62.100 62.100 61.790 0.310 25448 414 1 . 1 1 95 95 SER CB C 95 62.714 62.714 62.920 -0.206 25448 415 1 . 1 1 95 95 SER H H 95 8.174 8.174 8.248 -0.074 25448 416 1 . 1 1 96 96 ALA N N 96 123.830 123.830 124.422 -0.592 25448 417 1 . 1 1 96 96 ALA HA H 96 3.891 3.891 4.076 -0.185 25448 418 1 . 1 1 96 96 ALA CA C 96 55.276 55.276 55.409 -0.132 25448 419 1 . 1 1 96 96 ALA CB C 96 19.948 19.948 18.288 1.660 25448 420 1 . 1 1 96 96 ALA H H 96 8.110 8.110 8.201 -0.091 25448 421 1 . 1 1 97 97 LYS N N 97 115.893 115.893 118.041 -2.148 25448 422 1 . 1 1 97 97 LYS HA H 97 3.808 3.808 3.991 -0.183 25448 423 1 . 1 1 97 97 LYS CA C 97 60.349 60.349 59.366 0.983 25448 424 1 . 1 1 97 97 LYS CB C 97 32.698 32.698 32.416 0.282 25448 425 1 . 1 1 97 97 LYS H H 97 8.218 8.218 8.191 0.027 25448 426 1 . 1 1 98 98 GLU N N 98 117.006 117.006 117.346 -0.340 25448 427 1 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.099 0.041 25448 428 1 . 1 1 98 98 GLU CA C 98 58.222 58.222 58.329 -0.107 25448 429 1 . 1 1 98 98 GLU CB C 98 29.776 29.776 29.786 -0.010 25448 430 1 . 1 1 98 98 GLU H H 98 7.474 7.474 8.157 -0.683 25448 431 1 . 1 1 99 99 MET N N 99 114.572 114.572 116.987 -2.415 25448 432 1 . 1 1 99 99 MET HA H 99 4.533 4.533 4.375 0.158 25448 433 1 . 1 1 99 99 MET CA C 99 55.292 55.292 56.107 -0.815 25448 434 1 . 1 1 99 99 MET CB C 99 33.777 33.777 33.497 0.280 25448 435 1 . 1 1 99 99 MET H H 99 7.378 7.378 8.085 -0.707 25448 436 1 . 1 1 100 100 VAL N N 100 119.104 119.104 118.520 0.584 25448 437 1 . 1 1 100 100 VAL HA H 100 3.266 3.266 3.557 -0.291 25448 438 1 . 1 1 100 100 VAL CA C 100 66.047 66.047 65.102 0.945 25448 439 1 . 1 1 100 100 VAL CB C 100 31.325 31.325 31.063 0.262 25448 440 1 . 1 1 100 100 VAL H H 100 7.056 7.056 8.094 -1.038 25448 441 1 . 1 1 101 101 GLY N N 101 116.779 116.779 114.795 1.984 25448 442 1 . 1 1 101 101 GLY CA C 101 44.651 44.651 44.760 -0.109 25448 443 1 . 1 1 101 101 GLY H H 101 8.979 8.979 8.780 0.199 25448 444 1 . 1 1 102 102 GLN N N 102 119.990 119.990 120.521 -0.531 25448 445 1 . 1 1 102 102 GLN HA H 102 4.197 4.197 4.416 -0.219 25448 446 1 . 1 1 102 102 GLN C C 102 174.994 174.994 175.145 -0.151 25448 447 1 . 1 1 102 102 GLN CA C 102 56.663 56.663 55.473 1.190 25448 448 1 . 1 1 102 102 GLN CB C 102 28.936 28.936 30.165 -1.229 25448 449 1 . 1 1 102 102 GLN H H 102 8.103 8.103 8.074 0.029 25448 450 1 . 1 1 103 103 LYS N N 103 120.261 120.261 122.049 -1.788 25448 451 1 . 1 1 103 103 LYS HA H 103 5.266 5.266 5.154 0.112 25448 452 1 . 1 1 103 103 LYS CA C 103 54.642 54.642 55.368 -0.726 25448 453 1 . 1 1 103 103 LYS CB C 103 34.196 34.196 34.951 -0.755 25448 454 1 . 1 1 103 103 LYS H H 103 8.310 8.310 8.406 -0.096 25448 455 1 . 1 1 104 104 MET N N 104 119.868 119.868 120.483 -0.615 25448 456 1 . 1 1 104 104 MET HA H 104 4.692 4.692 4.823 -0.131 25448 457 1 . 1 1 104 104 MET CA C 104 54.276 54.276 53.891 0.385 25448 458 1 . 1 1 104 104 MET CB C 104 36.831 36.831 36.718 0.113 25448 459 1 . 1 1 104 104 MET H H 104 8.556 8.556 8.920 -0.364 25448 460 1 . 1 1 105 105 LYS N N 105 120.932 120.932 121.030 -0.098 25448 461 1 . 1 1 105 105 LYS HA H 105 4.366 4.366 4.278 0.088 25448 462 1 . 1 1 105 105 LYS CA C 105 57.100 57.100 56.605 0.495 25448 463 1 . 1 1 105 105 LYS CB C 105 32.890 32.890 32.887 0.003 25448 464 1 . 1 1 105 105 LYS H H 105 8.257 8.257 8.394 -0.137 25448 465 1 . 1 1 106 106 TYR N N 106 122.600 122.600 120.960 1.640 25448 466 1 . 1 1 106 106 TYR HA H 106 4.418 4.418 4.569 -0.151 25448 467 1 . 1 1 106 106 TYR CA C 106 56.726 56.726 58.225 -1.499 25448 468 1 . 1 1 106 106 TYR CB C 106 38.561 38.561 39.514 -0.953 25448 469 1 . 1 1 106 106 TYR H H 106 8.378 8.378 8.269 0.109 25448 470 1 . 1 1 107 107 SER N N 107 116.904 116.904 117.580 -0.676 25448 471 1 . 1 1 107 107 SER CA C 107 56.717 56.717 58.442 -1.725 25448 472 1 . 1 1 107 107 SER CB C 107 63.983 63.983 63.291 0.692 25448 473 1 . 1 1 107 107 SER H H 107 8.044 8.044 8.165 -0.121 25448 474 1 . 1 1 109 109 VAL HA H 109 4.013 4.013 3.898 0.115 25448 475 1 . 1 1 109 109 VAL CA C 109 64.307 64.307 62.917 1.390 25448 476 1 . 1 1 109 109 VAL CB C 109 32.000 32.000 32.218 -0.218 25448 477 1 . 1 1 111 111 ARG HA H 111 4.372 4.372 4.142 0.230 25448 478 1 . 1 1 111 111 ARG CA C 111 57.100 57.100 57.089 0.011 25448 479 1 . 1 1 111 111 ARG CB C 111 28.110 28.110 29.721 -1.611 25448 480 1 . 1 1 113 113 CYS HA H 113 4.488 4.488 4.276 0.212 25448 481 1 . 1 1 113 113 CYS CA C 113 61.609 61.609 62.971 -1.362 25448 482 1 . 1 1 113 113 CYS CB C 113 26.800 26.800 27.543 -0.743 25448 483 1 . 1 1 114 114 GLU N N 114 125.287 125.287 121.254 4.033 25448 484 1 . 1 1 114 114 GLU HA H 114 3.439 3.439 3.470 -0.031 25448 485 1 . 1 1 114 114 GLU CA C 114 58.669 58.669 59.136 -0.467 25448 486 1 . 1 1 114 114 GLU CB C 114 30.058 30.058 27.959 2.099 25448 487 1 . 1 1 114 114 GLU H H 114 7.720 7.720 8.100 -0.380 25448 488 1 . 1 1 115 115 HIS N N 115 119.008 119.008 119.576 -0.568 25448 489 1 . 1 1 115 115 HIS HA H 115 4.397 4.397 4.247 0.150 25448 490 1 . 1 1 115 115 HIS CA C 115 58.460 58.460 58.837 -0.377 25448 491 1 . 1 1 115 115 HIS CB C 115 30.061 30.061 29.651 0.410 25448 492 1 . 1 1 115 115 HIS H H 115 8.051 8.051 7.938 0.113 25448 493 1 . 1 1 116 116 PHE N N 116 117.059 117.059 121.210 -4.152 25448 494 1 . 1 1 116 116 PHE HA H 116 4.348 4.348 4.121 0.227 25448 495 1 . 1 1 116 116 PHE CA C 116 61.077 61.077 60.872 0.205 25448 496 1 . 1 1 116 116 PHE CB C 116 39.598 39.598 38.967 0.631 25448 497 1 . 1 1 116 116 PHE H H 116 8.168 8.168 8.259 -0.091 25448 498 1 . 1 1 117 117 VAL N N 117 107.857 107.857 114.960 -7.103 25448 499 1 . 1 1 117 117 VAL HA H 117 3.865 3.865 3.167 0.698 25448 500 1 . 1 1 117 117 VAL CA C 117 64.591 64.591 65.238 -0.647 25448 501 1 . 1 1 117 117 VAL CB C 117 30.573 30.573 31.159 -0.586 25448 502 1 . 1 1 117 117 VAL H H 117 7.080 7.080 8.045 -0.965 25448 503 1 . 1 1 118 118 THR N N 118 117.382 117.382 115.125 2.257 25448 504 1 . 1 1 118 118 THR HA H 118 4.046 4.046 3.925 0.121 25448 505 1 . 1 1 118 118 THR CA C 118 66.745 66.745 66.377 0.368 25448 506 1 . 1 1 118 118 THR CB C 118 68.185 68.185 68.465 -0.280 25448 507 1 . 1 1 118 118 THR H H 118 8.465 8.465 8.068 0.397 25448 508 1 . 1 1 119 119 GLN N N 119 121.900 121.900 120.939 0.961 25448 509 1 . 1 1 119 119 GLN HA H 119 3.885 3.885 4.121 -0.236 25448 510 1 . 1 1 119 119 GLN CA C 119 59.002 59.002 58.643 0.359 25448 511 1 . 1 1 119 119 GLN CB C 119 27.611 27.611 28.240 -0.629 25448 512 1 . 1 1 119 119 GLN H H 119 8.074 8.074 7.860 0.214 25448 513 1 . 1 1 120 120 LEU N N 120 117.899 117.899 118.580 -0.681 25448 514 1 . 1 1 120 120 LEU HA H 120 3.835 3.835 3.963 -0.128 25448 515 1 . 1 1 120 120 LEU CA C 120 57.427 57.427 57.634 -0.207 25448 516 1 . 1 1 120 120 LEU CB C 120 42.234 42.234 41.263 0.971 25448 517 1 . 1 1 120 120 LEU H H 120 6.829 6.829 7.435 -0.606 25448 518 1 . 1 1 121 121 ARG N N 121 117.250 117.250 118.342 -1.092 25448 519 1 . 1 1 121 121 ARG HA H 121 3.920 3.920 4.107 -0.187 25448 520 1 . 1 1 121 121 ARG CA C 121 59.043 59.043 58.691 0.352 25448 521 1 . 1 1 121 121 ARG CB C 121 30.256 30.256 30.715 -0.459 25448 522 1 . 1 1 121 121 ARG H H 121 7.677 7.677 7.610 0.067 25448 523 1 . 1 1 122 122 TYR N N 122 111.508 111.508 120.280 -8.772 25448 524 1 . 1 1 122 122 TYR HA H 122 4.640 4.640 4.026 0.614 25448 525 1 . 1 1 122 122 TYR CA C 122 58.522 58.522 60.016 -1.494 25448 526 1 . 1 1 122 122 TYR CB C 122 39.674 39.674 38.504 1.170 25448 527 1 . 1 1 122 122 TYR H H 122 8.114 8.114 8.624 -0.510 25448 528 1 . 1 1 123 123 GLY N N 123 109.399 109.399 105.415 3.984 25448 529 1 . 1 1 123 123 GLY CA C 123 45.341 45.341 44.525 0.816 25448 530 1 . 1 1 123 123 GLY H H 123 8.032 8.032 7.778 0.254 25448 531 1 . 1 1 124 124 LYS N N 124 117.936 117.936 119.960 -2.024 25448 532 1 . 1 1 124 124 LYS HA H 124 4.352 4.352 4.097 0.255 25448 533 1 . 1 1 124 124 LYS CA C 124 55.200 55.200 56.519 -1.319 25448 534 1 . 1 1 124 124 LYS CB C 124 33.998 33.998 32.400 1.598 25448 535 1 . 1 1 124 124 LYS H H 124 7.402 7.402 7.322 0.080 25448 stop_ save_