data_25268 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25268 _Entry.PDB_ID 2MVH 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 25268 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.226 0.174 25268 2 1 1 . 1 1 2 2 LYS CA C 2 56.200 56.200 57.616 -1.416 25268 3 1 1 . 1 1 2 2 LYS CB C 2 33.300 33.300 33.157 0.143 25268 4 1 1 . 1 1 3 3 PHE N N 3 120.647 120.647 116.327 4.320 25268 5 1 1 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.337 0.217 25268 6 1 1 . 1 1 3 3 PHE CA C 3 58.080 58.080 56.882 1.198 25268 7 1 1 . 1 1 3 3 PHE CB C 3 40.155 40.155 40.206 -0.051 25268 8 1 1 . 1 1 3 3 PHE H H 3 8.333 8.333 7.479 0.854 25268 9 1 1 . 1 1 4 4 TYR N N 4 119.545 119.545 122.988 -3.443 25268 10 1 1 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.443 0.041 25268 11 1 1 . 1 1 4 4 TYR CA C 4 58.100 58.100 57.562 0.538 25268 12 1 1 . 1 1 4 4 TYR CB C 4 38.700 38.700 38.478 0.222 25268 13 1 1 . 1 1 4 4 TYR H H 4 7.835 7.835 7.294 0.541 25268 14 1 1 . 1 1 5 5 THR N N 5 113.849 113.849 116.675 -2.826 25268 15 1 1 . 1 1 5 5 THR HA H 5 4.327 4.327 4.238 0.089 25268 16 1 1 . 1 1 5 5 THR CA C 5 62.200 62.200 63.535 -1.335 25268 17 1 1 . 1 1 5 5 THR CB C 5 69.500 69.500 69.240 0.260 25268 18 1 1 . 1 1 5 5 THR H H 5 7.921 7.921 8.492 -0.571 25268 19 1 1 . 1 1 6 6 ILE N N 6 121.812 121.812 121.294 0.518 25268 20 1 1 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.142 0.100 25268 21 1 1 . 1 1 6 6 ILE CA C 6 60.900 60.900 61.728 -0.828 25268 22 1 1 . 1 1 6 6 ILE CB C 6 39.278 39.278 39.059 0.219 25268 23 1 1 . 1 1 6 6 ILE H H 6 7.877 7.877 7.557 0.320 25268 24 1 1 . 1 1 7 7 LYS N N 7 124.588 124.588 125.568 -0.980 25268 25 1 1 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.401 0.065 25268 26 1 1 . 1 1 7 7 LYS CA C 7 56.200 56.200 55.867 0.333 25268 27 1 1 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.619 1.681 25268 28 1 1 . 1 1 7 7 LYS H H 7 8.210 8.210 8.454 -0.244 25268 29 1 1 . 1 1 8 8 LEU N N 8 123.110 123.110 118.082 5.028 25268 30 1 1 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.431 0.077 25268 31 1 1 . 1 1 8 8 LEU CA C 8 54.900 54.900 55.165 -0.265 25268 32 1 1 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.489 1.311 25268 33 1 1 . 1 1 8 8 LEU H H 8 8.421 8.421 7.388 1.033 25268 34 1 1 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.569 -0.118 25268 35 1 1 . 1 1 9 9 PRO CA C 9 63.800 63.800 64.348 -0.548 25268 36 1 1 . 1 1 9 9 PRO CB C 9 31.900 31.900 32.896 -0.996 25268 37 1 1 . 1 1 10 10 LYS HA H 10 4.099 4.099 4.370 -0.271 25268 38 1 1 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.220 2.980 25268 39 1 1 . 1 1 10 10 LYS CB C 10 32.400 32.400 31.747 0.653 25268 40 1 1 . 1 1 11 11 PHE N N 11 117.741 117.741 123.702 -5.961 25268 41 1 1 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.042 0.531 25268 42 1 1 . 1 1 11 11 PHE CA C 11 59.646 59.646 60.971 -1.325 25268 43 1 1 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.780 -0.080 25268 44 1 1 . 1 1 11 11 PHE H H 11 8.385 8.385 8.202 0.183 25268 45 1 1 . 1 1 12 12 LEU N N 12 118.903 118.903 118.678 0.225 25268 46 1 1 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.060 -0.015 25268 47 1 1 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.587 -0.652 25268 48 1 1 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.506 1.652 25268 49 1 1 . 1 1 12 12 LEU H H 12 7.717 7.717 8.095 -0.378 25268 50 1 1 . 1 1 13 13 GLY N N 13 106.373 106.373 107.531 -1.158 25268 51 1 1 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.169 0.375 25268 52 1 1 . 1 1 13 13 GLY H H 13 8.402 8.402 8.143 0.259 25268 53 1 1 . 1 1 14 14 GLY N N 14 108.291 108.291 109.270 -0.979 25268 54 1 1 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.863 1.137 25268 55 1 1 . 1 1 14 14 GLY H H 14 8.110 8.110 8.206 -0.096 25268 56 1 1 . 1 1 15 15 ILE N N 15 121.990 121.990 122.225 -0.235 25268 57 1 1 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.715 0.146 25268 58 1 1 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.620 -0.050 25268 59 1 1 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.094 -0.243 25268 60 1 1 . 1 1 15 15 ILE H H 15 7.723 7.723 7.754 -0.031 25268 61 1 1 . 1 1 16 16 VAL N N 16 119.530 119.530 119.883 -0.353 25268 62 1 1 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.570 0.042 25268 63 1 1 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.115 1.085 25268 64 1 1 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.553 -0.211 25268 65 1 1 . 1 1 16 16 VAL H H 16 8.049 8.049 8.415 -0.366 25268 66 1 1 . 1 1 17 17 ARG N N 17 118.293 118.293 118.347 -0.054 25268 67 1 1 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.090 -0.128 25268 68 1 1 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.752 1.347 25268 69 1 1 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.359 0.741 25268 70 1 1 . 1 1 17 17 ARG H H 17 8.247 8.247 7.754 0.493 25268 71 1 1 . 1 1 18 18 ALA N N 18 121.103 121.103 123.576 -2.473 25268 72 1 1 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.111 0.115 25268 73 1 1 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.984 -0.284 25268 74 1 1 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.061 0.245 25268 75 1 1 . 1 1 18 18 ALA H H 18 7.874 7.874 7.977 -0.103 25268 76 1 1 . 1 1 19 19 MET N N 19 116.847 116.847 117.422 -0.575 25268 77 1 1 . 1 1 19 19 MET HA H 19 4.192 4.192 4.126 0.066 25268 78 1 1 . 1 1 19 19 MET CA C 19 58.650 58.650 57.920 0.730 25268 79 1 1 . 1 1 19 19 MET CB C 19 33.413 33.413 31.660 1.754 25268 80 1 1 . 1 1 19 19 MET H H 19 8.174 8.174 7.729 0.445 25268 81 1 1 . 1 1 20 20 LEU N N 20 117.531 117.531 118.852 -1.321 25268 82 1 1 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.078 0.193 25268 83 1 1 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.544 -0.666 25268 84 1 1 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.246 0.654 25268 85 1 1 . 1 1 20 20 LEU H H 20 8.178 8.178 8.139 0.039 25268 86 1 1 . 1 1 21 21 GLY N N 21 105.942 105.942 105.849 0.093 25268 87 1 1 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.156 -0.756 25268 88 1 1 . 1 1 21 21 GLY H H 21 8.006 8.006 8.637 -0.631 25268 89 1 1 . 1 1 22 22 SER N N 22 115.031 115.031 115.226 -0.195 25268 90 1 1 . 1 1 22 22 SER HA H 22 4.273 4.273 4.494 -0.221 25268 91 1 1 . 1 1 22 22 SER CA C 22 59.500 59.500 59.994 -0.494 25268 92 1 1 . 1 1 22 22 SER CB C 22 63.580 63.580 63.801 -0.221 25268 93 1 1 . 1 1 22 22 SER H H 22 7.859 7.859 7.731 0.128 25268 94 1 1 . 1 1 23 23 PHE N N 23 119.803 119.803 122.133 -2.330 25268 95 1 1 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.308 0.313 25268 96 1 1 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.131 -2.031 25268 97 1 1 . 1 1 23 23 PHE CB C 23 39.670 39.670 40.070 -0.400 25268 98 1 1 . 1 1 23 23 PHE H H 23 7.837 7.837 7.702 0.135 25268 99 1 1 . 1 1 24 24 ARG N N 24 120.811 120.811 117.922 2.889 25268 100 1 1 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.948 0.418 25268 101 1 1 . 1 1 24 24 ARG CA C 24 55.980 55.980 56.367 -0.387 25268 102 1 1 . 1 1 24 24 ARG CB C 24 31.152 31.152 27.945 3.207 25268 103 1 1 . 1 1 24 24 ARG H H 24 7.886 7.886 8.261 -0.375 25268 104 1 1 . 1 1 25 25 LYS N N 25 123.162 123.162 121.141 2.021 25268 105 1 1 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.068 0.332 25268 106 1 1 . 1 1 25 25 LYS CA C 25 56.200 56.200 58.411 -2.211 25268 107 1 1 . 1 1 25 25 LYS CB C 25 33.300 33.300 33.155 0.145 25268 108 1 1 . 1 1 25 25 LYS H H 25 8.359 8.359 8.649 -0.290 25268 109 1 2 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.719 -0.319 25268 110 1 2 . 1 1 2 2 LYS CA C 2 56.200 56.200 55.625 0.575 25268 111 1 2 . 1 1 2 2 LYS CB C 2 33.300 33.300 34.791 -1.491 25268 112 1 2 . 1 1 3 3 PHE N N 3 120.647 120.647 122.455 -1.808 25268 113 1 2 . 1 1 3 3 PHE HA H 3 4.554 4.554 5.057 -0.503 25268 114 1 2 . 1 1 3 3 PHE CA C 3 58.080 58.080 57.881 0.199 25268 115 1 2 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.300 0.855 25268 116 1 2 . 1 1 3 3 PHE H H 3 8.333 8.333 8.481 -0.148 25268 117 1 2 . 1 1 4 4 TYR N N 4 119.545 119.545 115.238 4.307 25268 118 1 2 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.951 -0.467 25268 119 1 2 . 1 1 4 4 TYR CA C 4 58.100 58.100 56.898 1.202 25268 120 1 2 . 1 1 4 4 TYR CB C 4 38.700 38.700 40.973 -2.273 25268 121 1 2 . 1 1 4 4 TYR H H 4 7.835 7.835 8.745 -0.910 25268 122 1 2 . 1 1 5 5 THR N N 5 113.849 113.849 111.784 2.065 25268 123 1 2 . 1 1 5 5 THR HA H 5 4.327 4.327 4.595 -0.268 25268 124 1 2 . 1 1 5 5 THR CA C 5 62.200 62.200 61.822 0.378 25268 125 1 2 . 1 1 5 5 THR CB C 5 69.500 69.500 69.443 0.057 25268 126 1 2 . 1 1 5 5 THR H H 5 7.921 7.921 8.463 -0.542 25268 127 1 2 . 1 1 6 6 ILE N N 6 121.812 121.812 122.969 -1.157 25268 128 1 2 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.138 0.104 25268 129 1 2 . 1 1 6 6 ILE CA C 6 60.900 60.900 61.451 -0.551 25268 130 1 2 . 1 1 6 6 ILE CB C 6 39.278 39.278 38.714 0.564 25268 131 1 2 . 1 1 6 6 ILE H H 6 7.877 7.877 7.874 0.003 25268 132 1 2 . 1 1 7 7 LYS N N 7 124.588 124.588 123.689 0.899 25268 133 1 2 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.377 0.089 25268 134 1 2 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.254 -0.054 25268 135 1 2 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.867 1.433 25268 136 1 2 . 1 1 7 7 LYS H H 7 8.210 8.210 8.410 -0.200 25268 137 1 2 . 1 1 8 8 LEU N N 8 123.110 123.110 118.749 4.361 25268 138 1 2 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.390 0.118 25268 139 1 2 . 1 1 8 8 LEU CA C 8 54.900 54.900 53.751 1.149 25268 140 1 2 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.727 1.073 25268 141 1 2 . 1 1 8 8 LEU H H 8 8.421 8.421 7.348 1.073 25268 142 1 2 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.569 -0.118 25268 143 1 2 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.113 1.687 25268 144 1 2 . 1 1 9 9 PRO CB C 9 31.900 31.900 30.457 1.443 25268 145 1 2 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.706 0.393 25268 146 1 2 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.671 2.529 25268 147 1 2 . 1 1 10 10 LYS CB C 10 32.400 32.400 31.066 1.334 25268 148 1 2 . 1 1 11 11 PHE N N 11 117.741 117.741 119.952 -2.211 25268 149 1 2 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.108 0.465 25268 150 1 2 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.576 -1.930 25268 151 1 2 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.977 -0.277 25268 152 1 2 . 1 1 11 11 PHE H H 11 8.385 8.385 8.197 0.188 25268 153 1 2 . 1 1 12 12 LEU N N 12 118.903 118.903 119.107 -0.204 25268 154 1 2 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.275 -0.230 25268 155 1 2 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.716 -0.781 25268 156 1 2 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.973 1.185 25268 157 1 2 . 1 1 12 12 LEU H H 12 7.717 7.717 8.311 -0.594 25268 158 1 2 . 1 1 13 13 GLY N N 13 106.373 106.373 107.349 -0.976 25268 159 1 2 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.175 0.369 25268 160 1 2 . 1 1 13 13 GLY H H 13 8.402 8.402 8.435 -0.033 25268 161 1 2 . 1 1 14 14 GLY N N 14 108.291 108.291 109.239 -0.948 25268 162 1 2 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.723 1.277 25268 163 1 2 . 1 1 14 14 GLY H H 14 8.110 8.110 7.736 0.374 25268 164 1 2 . 1 1 15 15 ILE N N 15 121.990 121.990 122.190 -0.200 25268 165 1 2 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.801 0.060 25268 166 1 2 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.814 -0.244 25268 167 1 2 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.213 -0.362 25268 168 1 2 . 1 1 15 15 ILE H H 15 7.723 7.723 7.779 -0.056 25268 169 1 2 . 1 1 16 16 VAL N N 16 119.530 119.530 119.951 -0.421 25268 170 1 2 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.710 -0.098 25268 171 1 2 . 1 1 16 16 VAL CA C 16 67.200 67.200 65.992 1.208 25268 172 1 2 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.310 0.032 25268 173 1 2 . 1 1 16 16 VAL H H 16 8.049 8.049 8.512 -0.463 25268 174 1 2 . 1 1 17 17 ARG N N 17 118.293 118.293 120.034 -1.741 25268 175 1 2 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.060 -0.098 25268 176 1 2 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.992 1.108 25268 177 1 2 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.319 0.781 25268 178 1 2 . 1 1 17 17 ARG H H 17 8.247 8.247 7.963 0.284 25268 179 1 2 . 1 1 18 18 ALA N N 18 121.103 121.103 122.326 -1.223 25268 180 1 2 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.086 0.140 25268 181 1 2 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.994 -0.294 25268 182 1 2 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.128 0.177 25268 183 1 2 . 1 1 18 18 ALA H H 18 7.874 7.874 7.785 0.089 25268 184 1 2 . 1 1 19 19 MET N N 19 116.847 116.847 117.220 -0.373 25268 185 1 2 . 1 1 19 19 MET HA H 19 4.192 4.192 4.163 0.029 25268 186 1 2 . 1 1 19 19 MET CA C 19 58.650 58.650 57.728 0.922 25268 187 1 2 . 1 1 19 19 MET CB C 19 33.413 33.413 31.631 1.782 25268 188 1 2 . 1 1 19 19 MET H H 19 8.174 8.174 7.635 0.539 25268 189 1 2 . 1 1 20 20 LEU N N 20 117.531 117.531 119.697 -2.166 25268 190 1 2 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.091 0.180 25268 191 1 2 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.639 -0.761 25268 192 1 2 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.276 0.625 25268 193 1 2 . 1 1 20 20 LEU H H 20 8.178 8.178 8.308 -0.130 25268 194 1 2 . 1 1 21 21 GLY N N 21 105.942 105.942 106.011 -0.069 25268 195 1 2 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.451 -1.051 25268 196 1 2 . 1 1 21 21 GLY H H 21 8.006 8.006 8.532 -0.526 25268 197 1 2 . 1 1 22 22 SER N N 22 115.031 115.031 117.110 -2.079 25268 198 1 2 . 1 1 22 22 SER HA H 22 4.273 4.273 4.333 -0.060 25268 199 1 2 . 1 1 22 22 SER CA C 22 59.500 59.500 61.092 -1.592 25268 200 1 2 . 1 1 22 22 SER CB C 22 63.580 63.580 63.194 0.386 25268 201 1 2 . 1 1 22 22 SER H H 22 7.859 7.859 7.582 0.277 25268 202 1 2 . 1 1 23 23 PHE N N 23 119.803 119.803 121.812 -2.009 25268 203 1 2 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.270 0.351 25268 204 1 2 . 1 1 23 23 PHE CA C 23 58.100 58.100 59.886 -1.786 25268 205 1 2 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.856 -0.186 25268 206 1 2 . 1 1 23 23 PHE H H 23 7.837 7.837 8.202 -0.365 25268 207 1 2 . 1 1 24 24 ARG N N 24 120.811 120.811 117.205 3.606 25268 208 1 2 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.940 0.426 25268 209 1 2 . 1 1 24 24 ARG CA C 24 55.980 55.980 56.608 -0.628 25268 210 1 2 . 1 1 24 24 ARG CB C 24 31.152 31.152 27.871 3.281 25268 211 1 2 . 1 1 24 24 ARG H H 24 7.886 7.886 8.118 -0.232 25268 212 1 2 . 1 1 25 25 LYS N N 25 123.162 123.162 120.696 2.466 25268 213 1 2 . 1 1 25 25 LYS HA H 25 4.400 4.400 3.880 0.520 25268 214 1 2 . 1 1 25 25 LYS CA C 25 56.200 56.200 55.970 0.230 25268 215 1 2 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.742 0.558 25268 216 1 2 . 1 1 25 25 LYS H H 25 8.359 8.359 7.431 0.928 25268 217 1 3 . 1 1 2 2 LYS HA H 2 4.400 4.400 3.994 0.406 25268 218 1 3 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.012 0.188 25268 219 1 3 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.546 0.754 25268 220 1 3 . 1 1 3 3 PHE N N 3 120.647 120.647 125.719 -5.072 25268 221 1 3 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.034 0.520 25268 222 1 3 . 1 1 3 3 PHE CA C 3 58.080 58.080 60.074 -1.994 25268 223 1 3 . 1 1 3 3 PHE CB C 3 40.155 40.155 38.987 1.168 25268 224 1 3 . 1 1 3 3 PHE H H 3 8.333 8.333 8.593 -0.260 25268 225 1 3 . 1 1 4 4 TYR N N 4 119.545 119.545 116.333 3.212 25268 226 1 3 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.488 -0.004 25268 227 1 3 . 1 1 4 4 TYR CA C 4 58.100 58.100 58.594 -0.494 25268 228 1 3 . 1 1 4 4 TYR CB C 4 38.700 38.700 37.366 1.334 25268 229 1 3 . 1 1 4 4 TYR H H 4 7.835 7.835 7.077 0.758 25268 230 1 3 . 1 1 5 5 THR N N 5 113.849 113.849 108.774 5.075 25268 231 1 3 . 1 1 5 5 THR HA H 5 4.327 4.327 3.987 0.340 25268 232 1 3 . 1 1 5 5 THR CA C 5 62.200 62.200 62.734 -0.534 25268 233 1 3 . 1 1 5 5 THR CB C 5 69.500 69.500 68.222 1.278 25268 234 1 3 . 1 1 5 5 THR H H 5 7.921 7.921 7.963 -0.042 25268 235 1 3 . 1 1 6 6 ILE N N 6 121.812 121.812 120.396 1.416 25268 236 1 3 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.328 -0.086 25268 237 1 3 . 1 1 6 6 ILE CA C 6 60.900 60.900 59.972 0.928 25268 238 1 3 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.065 -0.787 25268 239 1 3 . 1 1 6 6 ILE H H 6 7.877 7.877 7.871 0.006 25268 240 1 3 . 1 1 7 7 LYS N N 7 124.588 124.588 124.506 0.082 25268 241 1 3 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.313 0.153 25268 242 1 3 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.521 -0.321 25268 243 1 3 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.863 1.437 25268 244 1 3 . 1 1 7 7 LYS H H 7 8.210 8.210 8.474 -0.264 25268 245 1 3 . 1 1 8 8 LEU N N 8 123.110 123.110 118.563 4.547 25268 246 1 3 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.431 0.077 25268 247 1 3 . 1 1 8 8 LEU CA C 8 54.900 54.900 53.538 1.362 25268 248 1 3 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.821 0.979 25268 249 1 3 . 1 1 8 8 LEU H H 8 8.421 8.421 7.324 1.097 25268 250 1 3 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.560 -0.109 25268 251 1 3 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.138 1.662 25268 252 1 3 . 1 1 9 9 PRO CB C 9 31.900 31.900 30.447 1.453 25268 253 1 3 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.758 0.341 25268 254 1 3 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.696 2.504 25268 255 1 3 . 1 1 10 10 LYS CB C 10 32.400 32.400 31.048 1.352 25268 256 1 3 . 1 1 11 11 PHE N N 11 117.741 117.741 120.009 -2.268 25268 257 1 3 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.118 0.455 25268 258 1 3 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.487 -1.841 25268 259 1 3 . 1 1 11 11 PHE CB C 11 38.700 38.700 39.007 -0.307 25268 260 1 3 . 1 1 11 11 PHE H H 11 8.385 8.385 8.215 0.170 25268 261 1 3 . 1 1 12 12 LEU N N 12 118.903 118.903 119.152 -0.249 25268 262 1 3 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.261 -0.216 25268 263 1 3 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.766 -0.831 25268 264 1 3 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.953 1.205 25268 265 1 3 . 1 1 12 12 LEU H H 12 7.717 7.717 8.446 -0.729 25268 266 1 3 . 1 1 13 13 GLY N N 13 106.373 106.373 107.373 -1.000 25268 267 1 3 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.153 0.391 25268 268 1 3 . 1 1 13 13 GLY H H 13 8.402 8.402 8.456 -0.054 25268 269 1 3 . 1 1 14 14 GLY N N 14 108.291 108.291 109.313 -1.022 25268 270 1 3 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.806 1.194 25268 271 1 3 . 1 1 14 14 GLY H H 14 8.110 8.110 7.834 0.276 25268 272 1 3 . 1 1 15 15 ILE N N 15 121.990 121.990 122.493 -0.503 25268 273 1 3 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.817 0.044 25268 274 1 3 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.429 0.141 25268 275 1 3 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.173 -0.322 25268 276 1 3 . 1 1 15 15 ILE H H 15 7.723 7.723 7.954 -0.231 25268 277 1 3 . 1 1 16 16 VAL N N 16 119.530 119.530 120.383 -0.853 25268 278 1 3 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.541 0.071 25268 279 1 3 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.210 0.989 25268 280 1 3 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.389 -0.047 25268 281 1 3 . 1 1 16 16 VAL H H 16 8.049 8.049 8.458 -0.409 25268 282 1 3 . 1 1 17 17 ARG N N 17 118.293 118.293 118.608 -0.315 25268 283 1 3 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.035 -0.073 25268 284 1 3 . 1 1 17 17 ARG CA C 17 60.100 60.100 59.616 0.484 25268 285 1 3 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.625 0.475 25268 286 1 3 . 1 1 17 17 ARG H H 17 8.247 8.247 8.191 0.056 25268 287 1 3 . 1 1 18 18 ALA N N 18 121.103 121.103 123.533 -2.430 25268 288 1 3 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.101 0.125 25268 289 1 3 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.980 -0.280 25268 290 1 3 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.166 0.140 25268 291 1 3 . 1 1 18 18 ALA H H 18 7.874 7.874 7.913 -0.039 25268 292 1 3 . 1 1 19 19 MET N N 19 116.847 116.847 117.534 -0.687 25268 293 1 3 . 1 1 19 19 MET HA H 19 4.192 4.192 4.147 0.045 25268 294 1 3 . 1 1 19 19 MET CA C 19 58.650 58.650 58.047 0.603 25268 295 1 3 . 1 1 19 19 MET CB C 19 33.413 33.413 31.642 1.771 25268 296 1 3 . 1 1 19 19 MET H H 19 8.174 8.174 7.751 0.423 25268 297 1 3 . 1 1 20 20 LEU N N 20 117.531 117.531 119.170 -1.639 25268 298 1 3 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.082 0.189 25268 299 1 3 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.727 -0.850 25268 300 1 3 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.231 0.669 25268 301 1 3 . 1 1 20 20 LEU H H 20 8.178 8.178 8.205 -0.027 25268 302 1 3 . 1 1 21 21 GLY N N 21 105.942 105.942 105.848 0.094 25268 303 1 3 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.179 -0.779 25268 304 1 3 . 1 1 21 21 GLY H H 21 8.006 8.006 8.639 -0.633 25268 305 1 3 . 1 1 22 22 SER N N 22 115.031 115.031 115.740 -0.709 25268 306 1 3 . 1 1 22 22 SER HA H 22 4.273 4.273 4.416 -0.143 25268 307 1 3 . 1 1 22 22 SER CA C 22 59.500 59.500 60.316 -0.816 25268 308 1 3 . 1 1 22 22 SER CB C 22 63.580 63.580 63.740 -0.160 25268 309 1 3 . 1 1 22 22 SER H H 22 7.859 7.859 7.611 0.248 25268 310 1 3 . 1 1 23 23 PHE N N 23 119.803 119.803 122.274 -2.471 25268 311 1 3 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.168 0.453 25268 312 1 3 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.452 -2.352 25268 313 1 3 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.615 0.055 25268 314 1 3 . 1 1 23 23 PHE H H 23 7.837 7.837 8.126 -0.289 25268 315 1 3 . 1 1 24 24 ARG N N 24 120.811 120.811 117.255 3.556 25268 316 1 3 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.997 0.369 25268 317 1 3 . 1 1 24 24 ARG CA C 24 55.980 55.980 57.172 -1.192 25268 318 1 3 . 1 1 24 24 ARG CB C 24 31.152 31.152 29.277 1.875 25268 319 1 3 . 1 1 24 24 ARG H H 24 7.886 7.886 8.366 -0.480 25268 320 1 3 . 1 1 25 25 LYS N N 25 123.162 123.162 117.308 5.854 25268 321 1 3 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.083 0.317 25268 322 1 3 . 1 1 25 25 LYS CA C 25 56.200 56.200 57.131 -0.931 25268 323 1 3 . 1 1 25 25 LYS CB C 25 33.300 33.300 31.982 1.318 25268 324 1 3 . 1 1 25 25 LYS H H 25 8.359 8.359 8.366 -0.007 25268 325 1 4 . 1 1 2 2 LYS HA H 2 4.400 4.400 3.867 0.533 25268 326 1 4 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.316 -0.116 25268 327 1 4 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.047 1.253 25268 328 1 4 . 1 1 3 3 PHE N N 3 120.647 120.647 118.949 1.698 25268 329 1 4 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.571 -0.017 25268 330 1 4 . 1 1 3 3 PHE CA C 3 58.080 58.080 56.889 1.191 25268 331 1 4 . 1 1 3 3 PHE CB C 3 40.155 40.155 38.380 1.775 25268 332 1 4 . 1 1 3 3 PHE H H 3 8.333 8.333 8.186 0.147 25268 333 1 4 . 1 1 4 4 TYR N N 4 119.545 119.545 126.461 -6.916 25268 334 1 4 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.214 0.270 25268 335 1 4 . 1 1 4 4 TYR CA C 4 58.100 58.100 59.498 -1.398 25268 336 1 4 . 1 1 4 4 TYR CB C 4 38.700 38.700 38.081 0.619 25268 337 1 4 . 1 1 4 4 TYR H H 4 7.835 7.835 8.657 -0.822 25268 338 1 4 . 1 1 5 5 THR N N 5 113.849 113.849 110.145 3.704 25268 339 1 4 . 1 1 5 5 THR HA H 5 4.327 4.327 4.024 0.303 25268 340 1 4 . 1 1 5 5 THR CA C 5 62.200 62.200 62.997 -0.797 25268 341 1 4 . 1 1 5 5 THR CB C 5 69.500 69.500 68.000 1.500 25268 342 1 4 . 1 1 5 5 THR H H 5 7.921 7.921 8.402 -0.481 25268 343 1 4 . 1 1 6 6 ILE N N 6 121.812 121.812 120.329 1.483 25268 344 1 4 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.262 -0.020 25268 345 1 4 . 1 1 6 6 ILE CA C 6 60.900 60.900 60.282 0.618 25268 346 1 4 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.207 -0.929 25268 347 1 4 . 1 1 6 6 ILE H H 6 7.877 7.877 7.710 0.167 25268 348 1 4 . 1 1 7 7 LYS N N 7 124.588 124.588 127.989 -3.401 25268 349 1 4 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.243 0.223 25268 350 1 4 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.412 -0.212 25268 351 1 4 . 1 1 7 7 LYS CB C 7 33.300 33.300 30.779 2.521 25268 352 1 4 . 1 1 7 7 LYS H H 7 8.210 8.210 8.638 -0.428 25268 353 1 4 . 1 1 8 8 LEU N N 8 123.110 123.110 119.697 3.413 25268 354 1 4 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.521 -0.013 25268 355 1 4 . 1 1 8 8 LEU CA C 8 54.900 54.900 52.833 2.067 25268 356 1 4 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.691 1.109 25268 357 1 4 . 1 1 8 8 LEU H H 8 8.421 8.421 7.706 0.715 25268 358 1 4 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.553 -0.102 25268 359 1 4 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.040 1.760 25268 360 1 4 . 1 1 9 9 PRO CB C 9 31.900 31.900 30.831 1.069 25268 361 1 4 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.773 0.326 25268 362 1 4 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.724 2.476 25268 363 1 4 . 1 1 10 10 LYS CB C 10 32.400 32.400 30.975 1.425 25268 364 1 4 . 1 1 11 11 PHE N N 11 117.741 117.741 119.890 -2.149 25268 365 1 4 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.203 0.370 25268 366 1 4 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.687 -2.041 25268 367 1 4 . 1 1 11 11 PHE CB C 11 38.700 38.700 39.107 -0.407 25268 368 1 4 . 1 1 11 11 PHE H H 11 8.385 8.385 8.210 0.175 25268 369 1 4 . 1 1 12 12 LEU N N 12 118.903 118.903 119.174 -0.271 25268 370 1 4 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.231 -0.186 25268 371 1 4 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.709 -0.774 25268 372 1 4 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.944 1.214 25268 373 1 4 . 1 1 12 12 LEU H H 12 7.717 7.717 8.418 -0.701 25268 374 1 4 . 1 1 13 13 GLY N N 13 106.373 106.373 107.616 -1.243 25268 375 1 4 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.276 0.268 25268 376 1 4 . 1 1 13 13 GLY H H 13 8.402 8.402 8.424 -0.022 25268 377 1 4 . 1 1 14 14 GLY N N 14 108.291 108.291 109.118 -0.827 25268 378 1 4 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.763 1.237 25268 379 1 4 . 1 1 14 14 GLY H H 14 8.110 8.110 7.488 0.622 25268 380 1 4 . 1 1 15 15 ILE N N 15 121.990 121.990 122.328 -0.338 25268 381 1 4 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.685 0.176 25268 382 1 4 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.733 -0.163 25268 383 1 4 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.077 -0.225 25268 384 1 4 . 1 1 15 15 ILE H H 15 7.723 7.723 7.597 0.126 25268 385 1 4 . 1 1 16 16 VAL N N 16 119.530 119.530 119.804 -0.274 25268 386 1 4 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.600 0.011 25268 387 1 4 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.106 1.094 25268 388 1 4 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.564 -0.222 25268 389 1 4 . 1 1 16 16 VAL H H 16 8.049 8.049 8.476 -0.427 25268 390 1 4 . 1 1 17 17 ARG N N 17 118.293 118.293 118.333 -0.040 25268 391 1 4 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.071 -0.109 25268 392 1 4 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.906 1.194 25268 393 1 4 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.346 0.754 25268 394 1 4 . 1 1 17 17 ARG H H 17 8.247 8.247 7.939 0.308 25268 395 1 4 . 1 1 18 18 ALA N N 18 121.103 121.103 123.390 -2.287 25268 396 1 4 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.114 0.112 25268 397 1 4 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.963 -0.263 25268 398 1 4 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.061 0.245 25268 399 1 4 . 1 1 18 18 ALA H H 18 7.874 7.874 7.905 -0.031 25268 400 1 4 . 1 1 19 19 MET N N 19 116.847 116.847 117.543 -0.696 25268 401 1 4 . 1 1 19 19 MET HA H 19 4.192 4.192 4.147 0.045 25268 402 1 4 . 1 1 19 19 MET CA C 19 58.650 58.650 57.892 0.758 25268 403 1 4 . 1 1 19 19 MET CB C 19 33.413 33.413 31.640 1.773 25268 404 1 4 . 1 1 19 19 MET H H 19 8.174 8.174 7.725 0.449 25268 405 1 4 . 1 1 20 20 LEU N N 20 117.531 117.531 119.057 -1.526 25268 406 1 4 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.032 0.239 25268 407 1 4 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.549 -0.671 25268 408 1 4 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.231 0.669 25268 409 1 4 . 1 1 20 20 LEU H H 20 8.178 8.178 8.130 0.048 25268 410 1 4 . 1 1 21 21 GLY N N 21 105.942 105.942 105.962 -0.020 25268 411 1 4 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.122 -0.722 25268 412 1 4 . 1 1 21 21 GLY H H 21 8.006 8.006 8.356 -0.350 25268 413 1 4 . 1 1 22 22 SER N N 22 115.031 115.031 115.733 -0.702 25268 414 1 4 . 1 1 22 22 SER HA H 22 4.273 4.273 4.283 -0.010 25268 415 1 4 . 1 1 22 22 SER CA C 22 59.500 59.500 60.881 -1.381 25268 416 1 4 . 1 1 22 22 SER CB C 22 63.580 63.580 63.392 0.188 25268 417 1 4 . 1 1 22 22 SER H H 22 7.859 7.859 7.619 0.240 25268 418 1 4 . 1 1 23 23 PHE N N 23 119.803 119.803 120.926 -1.123 25268 419 1 4 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.247 0.374 25268 420 1 4 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.693 -2.593 25268 421 1 4 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.611 0.058 25268 422 1 4 . 1 1 23 23 PHE H H 23 7.837 7.837 7.719 0.118 25268 423 1 4 . 1 1 24 24 ARG N N 24 120.811 120.811 119.068 1.743 25268 424 1 4 . 1 1 24 24 ARG HA H 24 4.366 4.366 4.412 -0.046 25268 425 1 4 . 1 1 24 24 ARG CA C 24 55.980 55.980 55.389 0.591 25268 426 1 4 . 1 1 24 24 ARG CB C 24 31.152 31.152 30.863 0.289 25268 427 1 4 . 1 1 24 24 ARG H H 24 7.886 7.886 7.828 0.058 25268 428 1 4 . 1 1 25 25 LYS N N 25 123.162 123.162 120.026 3.136 25268 429 1 4 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.076 0.324 25268 430 1 4 . 1 1 25 25 LYS CA C 25 56.200 56.200 58.181 -1.981 25268 431 1 4 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.359 0.941 25268 432 1 4 . 1 1 25 25 LYS H H 25 8.359 8.359 8.738 -0.379 25268 433 1 5 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.130 0.270 25268 434 1 5 . 1 1 2 2 LYS CA C 2 56.200 56.200 58.027 -1.827 25268 435 1 5 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.426 0.874 25268 436 1 5 . 1 1 3 3 PHE N N 3 120.647 120.647 117.223 3.424 25268 437 1 5 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.601 -0.047 25268 438 1 5 . 1 1 3 3 PHE CA C 3 58.080 58.080 56.633 1.447 25268 439 1 5 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.254 0.901 25268 440 1 5 . 1 1 3 3 PHE H H 3 8.333 8.333 7.334 0.999 25268 441 1 5 . 1 1 4 4 TYR N N 4 119.545 119.545 115.101 4.444 25268 442 1 5 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.994 -0.510 25268 443 1 5 . 1 1 4 4 TYR CA C 4 58.100 58.100 56.823 1.277 25268 444 1 5 . 1 1 4 4 TYR CB C 4 38.700 38.700 40.727 -2.027 25268 445 1 5 . 1 1 4 4 TYR H H 4 7.835 7.835 8.620 -0.785 25268 446 1 5 . 1 1 5 5 THR N N 5 113.849 113.849 113.034 0.815 25268 447 1 5 . 1 1 5 5 THR HA H 5 4.327 4.327 4.552 -0.225 25268 448 1 5 . 1 1 5 5 THR CA C 5 62.200 62.200 62.034 0.166 25268 449 1 5 . 1 1 5 5 THR CB C 5 69.500 69.500 69.585 -0.085 25268 450 1 5 . 1 1 5 5 THR H H 5 7.921 7.921 8.592 -0.671 25268 451 1 5 . 1 1 6 6 ILE N N 6 121.812 121.812 122.528 -0.716 25268 452 1 5 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.286 -0.044 25268 453 1 5 . 1 1 6 6 ILE CA C 6 60.900 60.900 60.868 0.032 25268 454 1 5 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.424 -1.146 25268 455 1 5 . 1 1 6 6 ILE H H 6 7.877 7.877 7.840 0.037 25268 456 1 5 . 1 1 7 7 LYS N N 7 124.588 124.588 125.627 -1.039 25268 457 1 5 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.201 0.265 25268 458 1 5 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.979 -0.779 25268 459 1 5 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.712 1.588 25268 460 1 5 . 1 1 7 7 LYS H H 7 8.210 8.210 8.520 -0.310 25268 461 1 5 . 1 1 8 8 LEU N N 8 123.110 123.110 116.748 6.362 25268 462 1 5 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.354 0.154 25268 463 1 5 . 1 1 8 8 LEU CA C 8 54.900 54.900 54.823 0.077 25268 464 1 5 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.710 1.090 25268 465 1 5 . 1 1 8 8 LEU H H 8 8.421 8.421 7.357 1.064 25268 466 1 5 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.491 -0.040 25268 467 1 5 . 1 1 9 9 PRO CA C 9 63.800 63.800 63.942 -0.142 25268 468 1 5 . 1 1 9 9 PRO CB C 9 31.900 31.900 33.005 -1.105 25268 469 1 5 . 1 1 10 10 LYS HA H 10 4.099 4.099 4.466 -0.367 25268 470 1 5 . 1 1 10 10 LYS CA C 10 59.200 59.200 55.725 3.475 25268 471 1 5 . 1 1 10 10 LYS CB C 10 32.400 32.400 32.639 -0.239 25268 472 1 5 . 1 1 11 11 PHE N N 11 117.741 117.741 122.912 -5.171 25268 473 1 5 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.063 0.510 25268 474 1 5 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.136 -1.490 25268 475 1 5 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.821 -0.121 25268 476 1 5 . 1 1 11 11 PHE H H 11 8.385 8.385 8.188 0.197 25268 477 1 5 . 1 1 12 12 LEU N N 12 118.903 118.903 118.888 0.015 25268 478 1 5 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.228 -0.183 25268 479 1 5 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.758 -0.823 25268 480 1 5 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.892 1.266 25268 481 1 5 . 1 1 12 12 LEU H H 12 7.717 7.717 8.303 -0.586 25268 482 1 5 . 1 1 13 13 GLY N N 13 106.373 106.373 107.659 -1.286 25268 483 1 5 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.199 0.345 25268 484 1 5 . 1 1 13 13 GLY H H 13 8.402 8.402 8.372 0.030 25268 485 1 5 . 1 1 14 14 GLY N N 14 108.291 108.291 109.410 -1.119 25268 486 1 5 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.963 1.037 25268 487 1 5 . 1 1 14 14 GLY H H 14 8.110 8.110 8.303 -0.193 25268 488 1 5 . 1 1 15 15 ILE N N 15 121.990 121.990 122.126 -0.136 25268 489 1 5 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.798 0.063 25268 490 1 5 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.736 -0.166 25268 491 1 5 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.157 -0.306 25268 492 1 5 . 1 1 15 15 ILE H H 15 7.723 7.723 7.808 -0.085 25268 493 1 5 . 1 1 16 16 VAL N N 16 119.530 119.530 119.940 -0.410 25268 494 1 5 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.679 -0.067 25268 495 1 5 . 1 1 16 16 VAL CA C 16 67.200 67.200 65.904 1.296 25268 496 1 5 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.292 0.050 25268 497 1 5 . 1 1 16 16 VAL H H 16 8.049 8.049 8.482 -0.433 25268 498 1 5 . 1 1 17 17 ARG N N 17 118.293 118.293 120.164 -1.871 25268 499 1 5 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.066 -0.104 25268 500 1 5 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.861 1.239 25268 501 1 5 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.326 0.774 25268 502 1 5 . 1 1 17 17 ARG H H 17 8.247 8.247 7.725 0.522 25268 503 1 5 . 1 1 18 18 ALA N N 18 121.103 121.103 122.492 -1.389 25268 504 1 5 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.086 0.140 25268 505 1 5 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.972 -0.272 25268 506 1 5 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.054 0.252 25268 507 1 5 . 1 1 18 18 ALA H H 18 7.874 7.874 7.873 0.001 25268 508 1 5 . 1 1 19 19 MET N N 19 116.847 116.847 117.442 -0.595 25268 509 1 5 . 1 1 19 19 MET HA H 19 4.192 4.192 4.136 0.056 25268 510 1 5 . 1 1 19 19 MET CA C 19 58.650 58.650 57.897 0.753 25268 511 1 5 . 1 1 19 19 MET CB C 19 33.413 33.413 31.608 1.805 25268 512 1 5 . 1 1 19 19 MET H H 19 8.174 8.174 7.733 0.441 25268 513 1 5 . 1 1 20 20 LEU N N 20 117.531 117.531 119.140 -1.609 25268 514 1 5 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.071 0.201 25268 515 1 5 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.701 -0.823 25268 516 1 5 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.240 0.660 25268 517 1 5 . 1 1 20 20 LEU H H 20 8.178 8.178 8.280 -0.102 25268 518 1 5 . 1 1 21 21 GLY N N 21 105.942 105.942 106.409 -0.467 25268 519 1 5 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.550 -1.150 25268 520 1 5 . 1 1 21 21 GLY H H 21 8.006 8.006 8.834 -0.828 25268 521 1 5 . 1 1 22 22 SER N N 22 115.031 115.031 117.203 -2.172 25268 522 1 5 . 1 1 22 22 SER HA H 22 4.273 4.273 4.493 -0.220 25268 523 1 5 . 1 1 22 22 SER CA C 22 59.500 59.500 60.436 -0.936 25268 524 1 5 . 1 1 22 22 SER CB C 22 63.580 63.580 63.235 0.345 25268 525 1 5 . 1 1 22 22 SER H H 22 7.859 7.859 7.744 0.115 25268 526 1 5 . 1 1 23 23 PHE N N 23 119.803 119.803 121.224 -1.421 25268 527 1 5 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.282 0.339 25268 528 1 5 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.369 -2.269 25268 529 1 5 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.864 -0.194 25268 530 1 5 . 1 1 23 23 PHE H H 23 7.837 7.837 7.926 -0.089 25268 531 1 5 . 1 1 24 24 ARG N N 24 120.811 120.811 116.228 4.583 25268 532 1 5 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.942 0.424 25268 533 1 5 . 1 1 24 24 ARG CA C 24 55.980 55.980 57.295 -1.315 25268 534 1 5 . 1 1 24 24 ARG CB C 24 31.152 31.152 29.059 2.092 25268 535 1 5 . 1 1 24 24 ARG H H 24 7.886 7.886 8.287 -0.401 25268 536 1 5 . 1 1 25 25 LYS N N 25 123.162 123.162 119.741 3.421 25268 537 1 5 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.105 0.295 25268 538 1 5 . 1 1 25 25 LYS CA C 25 56.200 56.200 56.978 -0.778 25268 539 1 5 . 1 1 25 25 LYS CB C 25 33.300 33.300 31.646 1.654 25268 540 1 5 . 1 1 25 25 LYS H H 25 8.359 8.359 8.335 0.024 25268 541 1 6 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.017 0.383 25268 542 1 6 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.016 0.184 25268 543 1 6 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.417 0.883 25268 544 1 6 . 1 1 3 3 PHE N N 3 120.647 120.647 121.443 -0.796 25268 545 1 6 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.220 0.334 25268 546 1 6 . 1 1 3 3 PHE CA C 3 58.080 58.080 57.295 0.784 25268 547 1 6 . 1 1 3 3 PHE CB C 3 40.155 40.155 38.236 1.919 25268 548 1 6 . 1 1 3 3 PHE H H 3 8.333 8.333 7.574 0.759 25268 549 1 6 . 1 1 4 4 TYR N N 4 119.545 119.545 127.334 -7.789 25268 550 1 6 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.434 0.050 25268 551 1 6 . 1 1 4 4 TYR CA C 4 58.100 58.100 57.524 0.576 25268 552 1 6 . 1 1 4 4 TYR CB C 4 38.700 38.700 39.805 -1.105 25268 553 1 6 . 1 1 4 4 TYR H H 4 7.835 7.835 8.280 -0.445 25268 554 1 6 . 1 1 5 5 THR N N 5 113.849 113.849 113.459 0.390 25268 555 1 6 . 1 1 5 5 THR HA H 5 4.327 4.327 3.756 0.571 25268 556 1 6 . 1 1 5 5 THR CA C 5 62.200 62.200 63.317 -1.117 25268 557 1 6 . 1 1 5 5 THR CB C 5 69.500 69.500 68.850 0.650 25268 558 1 6 . 1 1 5 5 THR H H 5 7.921 7.921 8.213 -0.292 25268 559 1 6 . 1 1 6 6 ILE N N 6 121.812 121.812 121.626 0.186 25268 560 1 6 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.219 0.023 25268 561 1 6 . 1 1 6 6 ILE CA C 6 60.900 60.900 60.065 0.835 25268 562 1 6 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.043 -0.765 25268 563 1 6 . 1 1 6 6 ILE H H 6 7.877 7.877 7.457 0.420 25268 564 1 6 . 1 1 7 7 LYS N N 7 124.588 124.588 124.530 0.058 25268 565 1 6 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.210 0.256 25268 566 1 6 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.532 -0.332 25268 567 1 6 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.978 1.322 25268 568 1 6 . 1 1 7 7 LYS H H 7 8.210 8.210 8.356 -0.146 25268 569 1 6 . 1 1 8 8 LEU N N 8 123.110 123.110 118.038 5.072 25268 570 1 6 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.225 0.283 25268 571 1 6 . 1 1 8 8 LEU CA C 8 54.900 54.900 54.788 0.112 25268 572 1 6 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.924 0.876 25268 573 1 6 . 1 1 8 8 LEU H H 8 8.421 8.421 7.421 1.000 25268 574 1 6 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.582 -0.131 25268 575 1 6 . 1 1 9 9 PRO CA C 9 63.800 63.800 64.390 -0.590 25268 576 1 6 . 1 1 9 9 PRO CB C 9 31.900 31.900 32.843 -0.943 25268 577 1 6 . 1 1 10 10 LYS HA H 10 4.099 4.099 4.433 -0.334 25268 578 1 6 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.212 2.988 25268 579 1 6 . 1 1 10 10 LYS CB C 10 32.400 32.400 32.093 0.307 25268 580 1 6 . 1 1 11 11 PHE N N 11 117.741 117.741 123.696 -5.955 25268 581 1 6 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.115 0.458 25268 582 1 6 . 1 1 11 11 PHE CA C 11 59.646 59.646 60.862 -1.216 25268 583 1 6 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.880 -0.180 25268 584 1 6 . 1 1 11 11 PHE H H 11 8.385 8.385 8.227 0.158 25268 585 1 6 . 1 1 12 12 LEU N N 12 118.903 118.903 118.871 0.032 25268 586 1 6 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.099 -0.054 25268 587 1 6 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.663 -0.728 25268 588 1 6 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.577 1.581 25268 589 1 6 . 1 1 12 12 LEU H H 12 7.717 7.717 8.166 -0.449 25268 590 1 6 . 1 1 13 13 GLY N N 13 106.373 106.373 107.371 -0.998 25268 591 1 6 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.203 0.341 25268 592 1 6 . 1 1 13 13 GLY H H 13 8.402 8.402 8.193 0.209 25268 593 1 6 . 1 1 14 14 GLY N N 14 108.291 108.291 109.415 -1.124 25268 594 1 6 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.962 1.038 25268 595 1 6 . 1 1 14 14 GLY H H 14 8.110 8.110 7.977 0.133 25268 596 1 6 . 1 1 15 15 ILE N N 15 121.990 121.990 122.276 -0.286 25268 597 1 6 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.698 0.163 25268 598 1 6 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.656 -0.086 25268 599 1 6 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.085 -0.234 25268 600 1 6 . 1 1 15 15 ILE H H 15 7.723 7.723 7.856 -0.134 25268 601 1 6 . 1 1 16 16 VAL N N 16 119.530 119.530 119.707 -0.177 25268 602 1 6 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.613 -0.001 25268 603 1 6 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.693 0.507 25268 604 1 6 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.806 -0.464 25268 605 1 6 . 1 1 16 16 VAL H H 16 8.049 8.049 8.366 -0.317 25268 606 1 6 . 1 1 17 17 ARG N N 17 118.293 118.293 119.673 -1.380 25268 607 1 6 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.048 -0.086 25268 608 1 6 . 1 1 17 17 ARG CA C 17 60.100 60.100 59.498 0.602 25268 609 1 6 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.883 0.217 25268 610 1 6 . 1 1 17 17 ARG H H 17 8.247 8.247 7.745 0.502 25268 611 1 6 . 1 1 18 18 ALA N N 18 121.103 121.103 122.940 -1.837 25268 612 1 6 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.064 0.162 25268 613 1 6 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.990 -0.290 25268 614 1 6 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.216 0.090 25268 615 1 6 . 1 1 18 18 ALA H H 18 7.874 7.874 8.013 -0.139 25268 616 1 6 . 1 1 19 19 MET N N 19 116.847 116.847 117.087 -0.240 25268 617 1 6 . 1 1 19 19 MET HA H 19 4.192 4.192 4.154 0.038 25268 618 1 6 . 1 1 19 19 MET CA C 19 58.650 58.650 57.939 0.711 25268 619 1 6 . 1 1 19 19 MET CB C 19 33.413 33.413 31.736 1.677 25268 620 1 6 . 1 1 19 19 MET H H 19 8.174 8.174 7.742 0.432 25268 621 1 6 . 1 1 20 20 LEU N N 20 117.531 117.531 118.471 -0.940 25268 622 1 6 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.089 0.182 25268 623 1 6 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.500 -0.622 25268 624 1 6 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.531 0.369 25268 625 1 6 . 1 1 20 20 LEU H H 20 8.178 8.178 8.075 0.103 25268 626 1 6 . 1 1 21 21 GLY N N 21 105.942 105.942 104.797 1.145 25268 627 1 6 . 1 1 21 21 GLY CA C 21 46.400 46.400 46.561 -0.161 25268 628 1 6 . 1 1 21 21 GLY H H 21 8.006 8.006 8.615 -0.609 25268 629 1 6 . 1 1 22 22 SER N N 22 115.031 115.031 116.577 -1.546 25268 630 1 6 . 1 1 22 22 SER HA H 22 4.273 4.273 4.465 -0.192 25268 631 1 6 . 1 1 22 22 SER CA C 22 59.500 59.500 59.097 0.403 25268 632 1 6 . 1 1 22 22 SER CB C 22 63.580 63.580 63.803 -0.223 25268 633 1 6 . 1 1 22 22 SER H H 22 7.859 7.859 7.542 0.317 25268 634 1 6 . 1 1 23 23 PHE N N 23 119.803 119.803 121.414 -1.611 25268 635 1 6 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.382 0.239 25268 636 1 6 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.127 -2.027 25268 637 1 6 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.985 -0.315 25268 638 1 6 . 1 1 23 23 PHE H H 23 7.837 7.837 7.567 0.270 25268 639 1 6 . 1 1 24 24 ARG N N 24 120.811 120.811 115.217 5.594 25268 640 1 6 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.917 0.449 25268 641 1 6 . 1 1 24 24 ARG CA C 24 55.980 55.980 57.515 -1.535 25268 642 1 6 . 1 1 24 24 ARG CB C 24 31.152 31.152 28.151 3.002 25268 643 1 6 . 1 1 24 24 ARG H H 24 7.886 7.886 8.038 -0.152 25268 644 1 6 . 1 1 25 25 LYS N N 25 123.162 123.162 118.395 4.767 25268 645 1 6 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.468 -0.068 25268 646 1 6 . 1 1 25 25 LYS CA C 25 56.200 56.200 54.932 1.268 25268 647 1 6 . 1 1 25 25 LYS CB C 25 33.300 33.300 34.512 -1.212 25268 648 1 6 . 1 1 25 25 LYS H H 25 8.359 8.359 7.919 0.440 25268 649 1 7 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.120 0.280 25268 650 1 7 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.684 -0.485 25268 651 1 7 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.794 0.506 25268 652 1 7 . 1 1 3 3 PHE N N 3 120.647 120.647 122.077 -1.430 25268 653 1 7 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.529 0.025 25268 654 1 7 . 1 1 3 3 PHE CA C 3 58.080 58.080 57.416 0.664 25268 655 1 7 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.741 0.414 25268 656 1 7 . 1 1 3 3 PHE H H 3 8.333 8.333 7.623 0.710 25268 657 1 7 . 1 1 4 4 TYR N N 4 119.545 119.545 118.589 0.956 25268 658 1 7 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.504 -0.020 25268 659 1 7 . 1 1 4 4 TYR CA C 4 58.100 58.100 56.445 1.655 25268 660 1 7 . 1 1 4 4 TYR CB C 4 38.700 38.700 38.351 0.349 25268 661 1 7 . 1 1 4 4 TYR H H 4 7.835 7.835 6.360 1.475 25268 662 1 7 . 1 1 5 5 THR N N 5 113.849 113.849 111.154 2.695 25268 663 1 7 . 1 1 5 5 THR HA H 5 4.327 4.327 4.404 -0.077 25268 664 1 7 . 1 1 5 5 THR CA C 5 62.200 62.200 61.528 0.672 25268 665 1 7 . 1 1 5 5 THR CB C 5 69.500 69.500 69.013 0.487 25268 666 1 7 . 1 1 5 5 THR H H 5 7.921 7.921 8.520 -0.599 25268 667 1 7 . 1 1 6 6 ILE N N 6 121.812 121.812 121.927 -0.115 25268 668 1 7 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.289 -0.047 25268 669 1 7 . 1 1 6 6 ILE CA C 6 60.900 60.900 60.046 0.854 25268 670 1 7 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.583 -1.305 25268 671 1 7 . 1 1 6 6 ILE H H 6 7.877 7.877 7.741 0.136 25268 672 1 7 . 1 1 7 7 LYS N N 7 124.588 124.588 123.407 1.181 25268 673 1 7 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.272 0.194 25268 674 1 7 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.398 -0.198 25268 675 1 7 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.835 1.465 25268 676 1 7 . 1 1 7 7 LYS H H 7 8.210 8.210 8.387 -0.177 25268 677 1 7 . 1 1 8 8 LEU N N 8 123.110 123.110 118.348 4.762 25268 678 1 7 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.386 0.122 25268 679 1 7 . 1 1 8 8 LEU CA C 8 54.900 54.900 53.367 1.533 25268 680 1 7 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.674 1.126 25268 681 1 7 . 1 1 8 8 LEU H H 8 8.421 8.421 7.214 1.207 25268 682 1 7 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.540 -0.089 25268 683 1 7 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.086 1.714 25268 684 1 7 . 1 1 9 9 PRO CB C 9 31.900 31.900 30.404 1.496 25268 685 1 7 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.754 0.345 25268 686 1 7 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.707 2.493 25268 687 1 7 . 1 1 10 10 LYS CB C 10 32.400 32.400 31.000 1.400 25268 688 1 7 . 1 1 11 11 PHE N N 11 117.741 117.741 120.107 -2.366 25268 689 1 7 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.106 0.467 25268 690 1 7 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.683 -2.037 25268 691 1 7 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.968 -0.268 25268 692 1 7 . 1 1 11 11 PHE H H 11 8.385 8.385 8.208 0.177 25268 693 1 7 . 1 1 12 12 LEU N N 12 118.903 118.903 119.071 -0.168 25268 694 1 7 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.319 -0.274 25268 695 1 7 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.881 -0.946 25268 696 1 7 . 1 1 12 12 LEU CB C 12 42.158 42.158 41.057 1.101 25268 697 1 7 . 1 1 12 12 LEU H H 12 7.717 7.717 8.426 -0.709 25268 698 1 7 . 1 1 13 13 GLY N N 13 106.373 106.373 107.672 -1.299 25268 699 1 7 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.349 0.195 25268 700 1 7 . 1 1 13 13 GLY H H 13 8.402 8.402 8.574 -0.172 25268 701 1 7 . 1 1 14 14 GLY N N 14 108.291 108.291 109.459 -1.168 25268 702 1 7 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.998 1.002 25268 703 1 7 . 1 1 14 14 GLY H H 14 8.110 8.110 8.109 0.001 25268 704 1 7 . 1 1 15 15 ILE N N 15 121.990 121.990 122.371 -0.381 25268 705 1 7 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.757 0.104 25268 706 1 7 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.767 -0.197 25268 707 1 7 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.231 -0.380 25268 708 1 7 . 1 1 15 15 ILE H H 15 7.723 7.723 7.903 -0.180 25268 709 1 7 . 1 1 16 16 VAL N N 16 119.530 119.530 119.851 -0.321 25268 710 1 7 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.661 -0.049 25268 711 1 7 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.608 0.592 25268 712 1 7 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.861 -0.519 25268 713 1 7 . 1 1 16 16 VAL H H 16 8.049 8.049 8.560 -0.511 25268 714 1 7 . 1 1 17 17 ARG N N 17 118.293 118.293 120.098 -1.805 25268 715 1 7 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.065 -0.103 25268 716 1 7 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.803 1.297 25268 717 1 7 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.336 0.764 25268 718 1 7 . 1 1 17 17 ARG H H 17 8.247 8.247 7.785 0.462 25268 719 1 7 . 1 1 18 18 ALA N N 18 121.103 121.103 122.558 -1.455 25268 720 1 7 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.102 0.124 25268 721 1 7 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.989 -0.289 25268 722 1 7 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.044 0.262 25268 723 1 7 . 1 1 18 18 ALA H H 18 7.874 7.874 7.859 0.015 25268 724 1 7 . 1 1 19 19 MET N N 19 116.847 116.847 117.813 -0.966 25268 725 1 7 . 1 1 19 19 MET HA H 19 4.192 4.192 4.160 0.032 25268 726 1 7 . 1 1 19 19 MET CA C 19 58.650 58.650 57.873 0.777 25268 727 1 7 . 1 1 19 19 MET CB C 19 33.413 33.413 31.604 1.809 25268 728 1 7 . 1 1 19 19 MET H H 19 8.174 8.174 7.746 0.428 25268 729 1 7 . 1 1 20 20 LEU N N 20 117.531 117.531 118.974 -1.443 25268 730 1 7 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.061 0.210 25268 731 1 7 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.633 -0.755 25268 732 1 7 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.255 0.645 25268 733 1 7 . 1 1 20 20 LEU H H 20 8.178 8.178 8.208 -0.030 25268 734 1 7 . 1 1 21 21 GLY N N 21 105.942 105.942 105.991 -0.049 25268 735 1 7 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.355 -0.955 25268 736 1 7 . 1 1 21 21 GLY H H 21 8.006 8.006 8.601 -0.595 25268 737 1 7 . 1 1 22 22 SER N N 22 115.031 115.031 115.613 -0.582 25268 738 1 7 . 1 1 22 22 SER HA H 22 4.273 4.273 4.412 -0.139 25268 739 1 7 . 1 1 22 22 SER CA C 22 59.500 59.500 60.887 -1.387 25268 740 1 7 . 1 1 22 22 SER CB C 22 63.580 63.580 63.636 -0.056 25268 741 1 7 . 1 1 22 22 SER H H 22 7.859 7.859 7.547 0.312 25268 742 1 7 . 1 1 23 23 PHE N N 23 119.803 119.803 122.248 -2.445 25268 743 1 7 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.182 0.439 25268 744 1 7 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.257 -2.157 25268 745 1 7 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.647 0.023 25268 746 1 7 . 1 1 23 23 PHE H H 23 7.837 7.837 7.756 0.081 25268 747 1 7 . 1 1 24 24 ARG N N 24 120.811 120.811 116.086 4.725 25268 748 1 7 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.989 0.377 25268 749 1 7 . 1 1 24 24 ARG CA C 24 55.980 55.980 57.063 -1.083 25268 750 1 7 . 1 1 24 24 ARG CB C 24 31.152 31.152 28.889 2.263 25268 751 1 7 . 1 1 24 24 ARG H H 24 7.886 7.886 8.109 -0.223 25268 752 1 7 . 1 1 25 25 LYS N N 25 123.162 123.162 121.810 1.352 25268 753 1 7 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.274 0.126 25268 754 1 7 . 1 1 25 25 LYS CA C 25 56.200 56.200 56.499 -0.299 25268 755 1 7 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.659 0.641 25268 756 1 7 . 1 1 25 25 LYS H H 25 8.359 8.359 8.162 0.197 25268 757 1 8 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.162 0.238 25268 758 1 8 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.077 0.123 25268 759 1 8 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.664 0.636 25268 760 1 8 . 1 1 3 3 PHE N N 3 120.647 120.647 121.069 -0.422 25268 761 1 8 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.415 0.139 25268 762 1 8 . 1 1 3 3 PHE CA C 3 58.080 58.080 57.369 0.711 25268 763 1 8 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.249 0.906 25268 764 1 8 . 1 1 3 3 PHE H H 3 8.333 8.333 7.694 0.639 25268 765 1 8 . 1 1 4 4 TYR N N 4 119.545 119.545 120.373 -0.828 25268 766 1 8 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.473 0.011 25268 767 1 8 . 1 1 4 4 TYR CA C 4 58.100 58.100 58.011 0.089 25268 768 1 8 . 1 1 4 4 TYR CB C 4 38.700 38.700 39.297 -0.597 25268 769 1 8 . 1 1 4 4 TYR H H 4 7.835 7.835 8.299 -0.464 25268 770 1 8 . 1 1 5 5 THR N N 5 113.849 113.849 112.208 1.641 25268 771 1 8 . 1 1 5 5 THR HA H 5 4.327 4.327 4.250 0.077 25268 772 1 8 . 1 1 5 5 THR CA C 5 62.200 62.200 63.320 -1.120 25268 773 1 8 . 1 1 5 5 THR CB C 5 69.500 69.500 68.810 0.690 25268 774 1 8 . 1 1 5 5 THR H H 5 7.921 7.921 8.545 -0.624 25268 775 1 8 . 1 1 6 6 ILE N N 6 121.812 121.812 121.741 0.071 25268 776 1 8 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.250 -0.008 25268 777 1 8 . 1 1 6 6 ILE CA C 6 60.900 60.900 60.349 0.551 25268 778 1 8 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.323 -1.045 25268 779 1 8 . 1 1 6 6 ILE H H 6 7.877 7.877 7.616 0.261 25268 780 1 8 . 1 1 7 7 LYS N N 7 124.588 124.588 127.235 -2.647 25268 781 1 8 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.268 0.198 25268 782 1 8 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.197 0.003 25268 783 1 8 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.006 2.294 25268 784 1 8 . 1 1 7 7 LYS H H 7 8.210 8.210 8.471 -0.261 25268 785 1 8 . 1 1 8 8 LEU N N 8 123.110 123.110 117.477 5.633 25268 786 1 8 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.358 0.150 25268 787 1 8 . 1 1 8 8 LEU CA C 8 54.900 54.900 55.008 -0.108 25268 788 1 8 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.742 1.058 25268 789 1 8 . 1 1 8 8 LEU H H 8 8.421 8.421 7.270 1.151 25268 790 1 8 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.641 -0.190 25268 791 1 8 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.938 0.862 25268 792 1 8 . 1 1 9 9 PRO CB C 9 31.900 31.900 32.670 -0.770 25268 793 1 8 . 1 1 10 10 LYS HA H 10 4.099 4.099 4.233 -0.134 25268 794 1 8 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.353 2.847 25268 795 1 8 . 1 1 10 10 LYS CB C 10 32.400 32.400 30.748 1.652 25268 796 1 8 . 1 1 11 11 PHE N N 11 117.741 117.741 121.922 -4.181 25268 797 1 8 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.250 0.323 25268 798 1 8 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.206 -1.560 25268 799 1 8 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.837 -0.138 25268 800 1 8 . 1 1 11 11 PHE H H 11 8.385 8.385 8.117 0.268 25268 801 1 8 . 1 1 12 12 LEU N N 12 118.903 118.903 118.975 -0.072 25268 802 1 8 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.087 -0.042 25268 803 1 8 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.534 -0.599 25268 804 1 8 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.449 1.709 25268 805 1 8 . 1 1 12 12 LEU H H 12 7.717 7.717 8.179 -0.462 25268 806 1 8 . 1 1 13 13 GLY N N 13 106.373 106.373 107.463 -1.090 25268 807 1 8 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.260 0.284 25268 808 1 8 . 1 1 13 13 GLY H H 13 8.402 8.402 8.278 0.124 25268 809 1 8 . 1 1 14 14 GLY N N 14 108.291 108.291 109.197 -0.906 25268 810 1 8 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.814 1.186 25268 811 1 8 . 1 1 14 14 GLY H H 14 8.110 8.110 7.596 0.514 25268 812 1 8 . 1 1 15 15 ILE N N 15 121.990 121.990 122.324 -0.334 25268 813 1 8 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.657 0.204 25268 814 1 8 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.677 -0.107 25268 815 1 8 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.059 -0.208 25268 816 1 8 . 1 1 15 15 ILE H H 15 7.723 7.723 7.635 0.088 25268 817 1 8 . 1 1 16 16 VAL N N 16 119.530 119.530 119.868 -0.338 25268 818 1 8 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.617 -0.005 25268 819 1 8 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.563 0.637 25268 820 1 8 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.742 -0.400 25268 821 1 8 . 1 1 16 16 VAL H H 16 8.049 8.049 8.440 -0.391 25268 822 1 8 . 1 1 17 17 ARG N N 17 118.293 118.293 118.485 -0.192 25268 823 1 8 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.067 -0.105 25268 824 1 8 . 1 1 17 17 ARG CA C 17 60.100 60.100 58.777 1.323 25268 825 1 8 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.275 0.825 25268 826 1 8 . 1 1 17 17 ARG H H 17 8.247 8.247 7.848 0.399 25268 827 1 8 . 1 1 18 18 ALA N N 18 121.103 121.103 123.582 -2.479 25268 828 1 8 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.114 0.112 25268 829 1 8 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.988 -0.288 25268 830 1 8 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.057 0.249 25268 831 1 8 . 1 1 18 18 ALA H H 18 7.874 7.874 7.983 -0.109 25268 832 1 8 . 1 1 19 19 MET N N 19 116.847 116.847 117.408 -0.561 25268 833 1 8 . 1 1 19 19 MET HA H 19 4.192 4.192 4.135 0.057 25268 834 1 8 . 1 1 19 19 MET CA C 19 58.650 58.650 57.957 0.693 25268 835 1 8 . 1 1 19 19 MET CB C 19 33.413 33.413 31.653 1.760 25268 836 1 8 . 1 1 19 19 MET H H 19 8.174 8.174 7.746 0.428 25268 837 1 8 . 1 1 20 20 LEU N N 20 117.531 117.531 118.880 -1.349 25268 838 1 8 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.044 0.227 25268 839 1 8 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.623 -0.745 25268 840 1 8 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.266 0.634 25268 841 1 8 . 1 1 20 20 LEU H H 20 8.178 8.178 8.089 0.089 25268 842 1 8 . 1 1 21 21 GLY N N 21 105.942 105.942 105.607 0.335 25268 843 1 8 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.243 -0.843 25268 844 1 8 . 1 1 21 21 GLY H H 21 8.006 8.006 8.693 -0.687 25268 845 1 8 . 1 1 22 22 SER N N 22 115.031 115.031 116.427 -1.396 25268 846 1 8 . 1 1 22 22 SER HA H 22 4.273 4.273 4.452 -0.179 25268 847 1 8 . 1 1 22 22 SER CA C 22 59.500 59.500 60.739 -1.239 25268 848 1 8 . 1 1 22 22 SER CB C 22 63.580 63.580 63.546 0.034 25268 849 1 8 . 1 1 22 22 SER H H 22 7.859 7.859 7.789 0.070 25268 850 1 8 . 1 1 23 23 PHE N N 23 119.803 119.803 121.048 -1.245 25268 851 1 8 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.211 0.410 25268 852 1 8 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.385 -2.285 25268 853 1 8 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.715 -0.045 25268 854 1 8 . 1 1 23 23 PHE H H 23 7.837 7.837 7.815 0.022 25268 855 1 8 . 1 1 24 24 ARG N N 24 120.811 120.811 116.169 4.642 25268 856 1 8 . 1 1 24 24 ARG HA H 24 4.366 4.366 4.008 0.358 25268 857 1 8 . 1 1 24 24 ARG CA C 24 55.980 55.980 56.870 -0.890 25268 858 1 8 . 1 1 24 24 ARG CB C 24 31.152 31.152 29.550 1.602 25268 859 1 8 . 1 1 24 24 ARG H H 24 7.886 7.886 7.953 -0.067 25268 860 1 8 . 1 1 25 25 LYS N N 25 123.162 123.162 122.191 0.971 25268 861 1 8 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.266 0.134 25268 862 1 8 . 1 1 25 25 LYS CA C 25 56.200 56.200 56.365 -0.165 25268 863 1 8 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.919 0.381 25268 864 1 8 . 1 1 25 25 LYS H H 25 8.359 8.359 8.229 0.130 25268 865 1 9 . 1 1 2 2 LYS HA H 2 4.400 4.400 5.063 -0.663 25268 866 1 9 . 1 1 2 2 LYS CA C 2 56.200 56.200 55.786 0.414 25268 867 1 9 . 1 1 2 2 LYS CB C 2 33.300 33.300 34.752 -1.452 25268 868 1 9 . 1 1 3 3 PHE N N 3 120.647 120.647 119.913 0.734 25268 869 1 9 . 1 1 3 3 PHE HA H 3 4.554 4.554 5.099 -0.545 25268 870 1 9 . 1 1 3 3 PHE CA C 3 58.080 58.080 56.917 1.163 25268 871 1 9 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.912 0.243 25268 872 1 9 . 1 1 3 3 PHE H H 3 8.333 8.333 8.263 0.070 25268 873 1 9 . 1 1 4 4 TYR N N 4 119.545 119.545 118.281 1.264 25268 874 1 9 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.831 -0.347 25268 875 1 9 . 1 1 4 4 TYR CA C 4 58.100 58.100 56.904 1.196 25268 876 1 9 . 1 1 4 4 TYR CB C 4 38.700 38.700 39.881 -1.181 25268 877 1 9 . 1 1 4 4 TYR H H 4 7.835 7.835 8.037 -0.202 25268 878 1 9 . 1 1 5 5 THR N N 5 113.849 113.849 114.699 -0.850 25268 879 1 9 . 1 1 5 5 THR HA H 5 4.327 4.327 4.639 -0.312 25268 880 1 9 . 1 1 5 5 THR CA C 5 62.200 62.200 62.221 -0.021 25268 881 1 9 . 1 1 5 5 THR CB C 5 69.500 69.500 69.775 -0.275 25268 882 1 9 . 1 1 5 5 THR H H 5 7.921 7.921 8.712 -0.791 25268 883 1 9 . 1 1 6 6 ILE N N 6 121.812 121.812 121.453 0.359 25268 884 1 9 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.028 0.214 25268 885 1 9 . 1 1 6 6 ILE CA C 6 60.900 60.900 62.304 -1.404 25268 886 1 9 . 1 1 6 6 ILE CB C 6 39.278 39.278 38.112 1.166 25268 887 1 9 . 1 1 6 6 ILE H H 6 7.877 7.877 7.820 0.057 25268 888 1 9 . 1 1 7 7 LYS N N 7 124.588 124.588 116.614 7.974 25268 889 1 9 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.256 0.210 25268 890 1 9 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.966 -0.766 25268 891 1 9 . 1 1 7 7 LYS CB C 7 33.300 33.300 30.812 2.488 25268 892 1 9 . 1 1 7 7 LYS H H 7 8.210 8.210 8.200 0.010 25268 893 1 9 . 1 1 8 8 LEU N N 8 123.110 123.110 115.016 8.094 25268 894 1 9 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.353 0.155 25268 895 1 9 . 1 1 8 8 LEU CA C 8 54.900 54.900 53.826 1.074 25268 896 1 9 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.898 0.902 25268 897 1 9 . 1 1 8 8 LEU H H 8 8.421 8.421 7.578 0.843 25268 898 1 9 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.594 -0.143 25268 899 1 9 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.175 1.625 25268 900 1 9 . 1 1 9 9 PRO CB C 9 31.900 31.900 30.377 1.523 25268 901 1 9 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.729 0.370 25268 902 1 9 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.825 2.375 25268 903 1 9 . 1 1 10 10 LYS CB C 10 32.400 32.400 30.886 1.514 25268 904 1 9 . 1 1 11 11 PHE N N 11 117.741 117.741 119.772 -2.031 25268 905 1 9 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.167 0.406 25268 906 1 9 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.445 -1.799 25268 907 1 9 . 1 1 11 11 PHE CB C 11 38.700 38.700 39.016 -0.315 25268 908 1 9 . 1 1 11 11 PHE H H 11 8.385 8.385 8.101 0.284 25268 909 1 9 . 1 1 12 12 LEU N N 12 118.903 118.903 119.184 -0.281 25268 910 1 9 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.248 -0.203 25268 911 1 9 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.672 -0.737 25268 912 1 9 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.908 1.250 25268 913 1 9 . 1 1 12 12 LEU H H 12 7.717 7.717 8.321 -0.604 25268 914 1 9 . 1 1 13 13 GLY N N 13 106.373 106.373 107.591 -1.218 25268 915 1 9 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.226 0.318 25268 916 1 9 . 1 1 13 13 GLY H H 13 8.402 8.402 8.463 -0.061 25268 917 1 9 . 1 1 14 14 GLY N N 14 108.291 108.291 108.832 -0.541 25268 918 1 9 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.765 1.235 25268 919 1 9 . 1 1 14 14 GLY H H 14 8.110 8.110 7.484 0.626 25268 920 1 9 . 1 1 15 15 ILE N N 15 121.990 121.990 122.332 -0.342 25268 921 1 9 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.717 0.144 25268 922 1 9 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.671 -0.101 25268 923 1 9 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.178 -0.327 25268 924 1 9 . 1 1 15 15 ILE H H 15 7.723 7.723 7.567 0.156 25268 925 1 9 . 1 1 16 16 VAL N N 16 119.530 119.530 119.639 -0.109 25268 926 1 9 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.575 0.037 25268 927 1 9 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.300 0.900 25268 928 1 9 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.560 -0.218 25268 929 1 9 . 1 1 16 16 VAL H H 16 8.049 8.049 8.513 -0.464 25268 930 1 9 . 1 1 17 17 ARG N N 17 118.293 118.293 118.526 -0.233 25268 931 1 9 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.027 -0.065 25268 932 1 9 . 1 1 17 17 ARG CA C 17 60.100 60.100 59.505 0.595 25268 933 1 9 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.678 0.422 25268 934 1 9 . 1 1 17 17 ARG H H 17 8.247 8.247 8.078 0.169 25268 935 1 9 . 1 1 18 18 ALA N N 18 121.103 121.103 123.515 -2.412 25268 936 1 9 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.096 0.130 25268 937 1 9 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.961 -0.261 25268 938 1 9 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.156 0.150 25268 939 1 9 . 1 1 18 18 ALA H H 18 7.874 7.874 7.962 -0.088 25268 940 1 9 . 1 1 19 19 MET N N 19 116.847 116.847 117.450 -0.603 25268 941 1 9 . 1 1 19 19 MET HA H 19 4.192 4.192 4.154 0.038 25268 942 1 9 . 1 1 19 19 MET CA C 19 58.650 58.650 57.855 0.795 25268 943 1 9 . 1 1 19 19 MET CB C 19 33.413 33.413 31.672 1.741 25268 944 1 9 . 1 1 19 19 MET H H 19 8.174 8.174 7.710 0.464 25268 945 1 9 . 1 1 20 20 LEU N N 20 117.531 117.531 118.984 -1.453 25268 946 1 9 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.041 0.230 25268 947 1 9 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.370 -0.492 25268 948 1 9 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.294 0.606 25268 949 1 9 . 1 1 20 20 LEU H H 20 8.178 8.178 8.050 0.128 25268 950 1 9 . 1 1 21 21 GLY N N 21 105.942 105.942 105.841 0.101 25268 951 1 9 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.201 -0.801 25268 952 1 9 . 1 1 21 21 GLY H H 21 8.006 8.006 8.468 -0.462 25268 953 1 9 . 1 1 22 22 SER N N 22 115.031 115.031 116.739 -1.708 25268 954 1 9 . 1 1 22 22 SER HA H 22 4.273 4.273 4.289 -0.016 25268 955 1 9 . 1 1 22 22 SER CA C 22 59.500 59.500 60.500 -1.000 25268 956 1 9 . 1 1 22 22 SER CB C 22 63.580 63.580 63.440 0.140 25268 957 1 9 . 1 1 22 22 SER H H 22 7.859 7.859 7.690 0.169 25268 958 1 9 . 1 1 23 23 PHE N N 23 119.803 119.803 121.981 -2.178 25268 959 1 9 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.208 0.413 25268 960 1 9 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.880 -2.780 25268 961 1 9 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.116 0.554 25268 962 1 9 . 1 1 23 23 PHE H H 23 7.837 7.837 7.460 0.377 25268 963 1 9 . 1 1 24 24 ARG N N 24 120.811 120.811 116.964 3.847 25268 964 1 9 . 1 1 24 24 ARG HA H 24 4.366 4.366 4.118 0.248 25268 965 1 9 . 1 1 24 24 ARG CA C 24 55.980 55.980 56.876 -0.896 25268 966 1 9 . 1 1 24 24 ARG CB C 24 31.152 31.152 29.920 1.232 25268 967 1 9 . 1 1 24 24 ARG H H 24 7.886 7.886 7.728 0.158 25268 968 1 9 . 1 1 25 25 LYS N N 25 123.162 123.162 121.261 1.901 25268 969 1 9 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.133 0.267 25268 970 1 9 . 1 1 25 25 LYS CA C 25 56.200 56.200 56.292 -0.092 25268 971 1 9 . 1 1 25 25 LYS CB C 25 33.300 33.300 33.312 -0.012 25268 972 1 9 . 1 1 25 25 LYS H H 25 8.359 8.359 7.671 0.688 25268 973 1 10 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.246 0.154 25268 974 1 10 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.328 -0.128 25268 975 1 10 . 1 1 2 2 LYS CB C 2 33.300 33.300 32.678 0.622 25268 976 1 10 . 1 1 3 3 PHE N N 3 120.647 120.647 118.874 1.773 25268 977 1 10 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.687 -0.133 25268 978 1 10 . 1 1 3 3 PHE CA C 3 58.080 58.080 58.255 -0.175 25268 979 1 10 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.038 1.117 25268 980 1 10 . 1 1 3 3 PHE H H 3 8.333 8.333 7.878 0.455 25268 981 1 10 . 1 1 4 4 TYR N N 4 119.545 119.545 117.649 1.896 25268 982 1 10 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.403 0.081 25268 983 1 10 . 1 1 4 4 TYR CA C 4 58.100 58.100 57.987 0.113 25268 984 1 10 . 1 1 4 4 TYR CB C 4 38.700 38.700 37.027 1.673 25268 985 1 10 . 1 1 4 4 TYR H H 4 7.835 7.835 6.434 1.401 25268 986 1 10 . 1 1 5 5 THR N N 5 113.849 113.849 113.969 -0.120 25268 987 1 10 . 1 1 5 5 THR HA H 5 4.327 4.327 3.634 0.693 25268 988 1 10 . 1 1 5 5 THR CA C 5 62.200 62.200 63.178 -0.978 25268 989 1 10 . 1 1 5 5 THR CB C 5 69.500 69.500 67.667 1.833 25268 990 1 10 . 1 1 5 5 THR H H 5 7.921 7.921 7.097 0.824 25268 991 1 10 . 1 1 6 6 ILE N N 6 121.812 121.812 119.859 1.953 25268 992 1 10 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.310 -0.068 25268 993 1 10 . 1 1 6 6 ILE CA C 6 60.900 60.900 59.957 0.943 25268 994 1 10 . 1 1 6 6 ILE CB C 6 39.278 39.278 40.373 -1.095 25268 995 1 10 . 1 1 6 6 ILE H H 6 7.877 7.877 7.457 0.420 25268 996 1 10 . 1 1 7 7 LYS N N 7 124.588 124.588 122.933 1.655 25268 997 1 10 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.315 0.151 25268 998 1 10 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.611 -0.411 25268 999 1 10 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.669 1.631 25268 1000 1 10 . 1 1 7 7 LYS H H 7 8.210 8.210 8.427 -0.217 25268 1001 1 10 . 1 1 8 8 LEU N N 8 123.110 123.110 118.559 4.551 25268 1002 1 10 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.516 -0.008 25268 1003 1 10 . 1 1 8 8 LEU CA C 8 54.900 54.900 53.401 1.499 25268 1004 1 10 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.846 0.953 25268 1005 1 10 . 1 1 8 8 LEU H H 8 8.421 8.421 7.410 1.011 25268 1006 1 10 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.527 -0.076 25268 1007 1 10 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.138 1.662 25268 1008 1 10 . 1 1 9 9 PRO CB C 9 31.900 31.900 30.295 1.605 25268 1009 1 10 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.724 0.375 25268 1010 1 10 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.461 2.739 25268 1011 1 10 . 1 1 10 10 LYS CB C 10 32.400 32.400 31.884 0.516 25268 1012 1 10 . 1 1 11 11 PHE N N 11 117.741 117.741 120.039 -2.298 25268 1013 1 10 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.163 0.410 25268 1014 1 10 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.338 -1.692 25268 1015 1 10 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.947 -0.247 25268 1016 1 10 . 1 1 11 11 PHE H H 11 8.385 8.385 8.235 0.150 25268 1017 1 10 . 1 1 12 12 LEU N N 12 118.903 118.903 119.260 -0.357 25268 1018 1 10 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.305 -0.260 25268 1019 1 10 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.798 -0.863 25268 1020 1 10 . 1 1 12 12 LEU CB C 12 42.158 42.158 41.029 1.129 25268 1021 1 10 . 1 1 12 12 LEU H H 12 7.717 7.717 8.360 -0.643 25268 1022 1 10 . 1 1 13 13 GLY N N 13 106.373 106.373 107.163 -0.790 25268 1023 1 10 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.212 0.332 25268 1024 1 10 . 1 1 13 13 GLY H H 13 8.402 8.402 8.461 -0.059 25268 1025 1 10 . 1 1 14 14 GLY N N 14 108.291 108.291 109.196 -0.905 25268 1026 1 10 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.739 1.261 25268 1027 1 10 . 1 1 14 14 GLY H H 14 8.110 8.110 7.626 0.484 25268 1028 1 10 . 1 1 15 15 ILE N N 15 121.990 121.990 122.431 -0.441 25268 1029 1 10 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.773 0.088 25268 1030 1 10 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.821 -0.251 25268 1031 1 10 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.274 -0.423 25268 1032 1 10 . 1 1 15 15 ILE H H 15 7.723 7.723 7.778 -0.055 25268 1033 1 10 . 1 1 16 16 VAL N N 16 119.530 119.530 119.715 -0.185 25268 1034 1 10 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.602 0.010 25268 1035 1 10 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.309 0.891 25268 1036 1 10 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.610 -0.269 25268 1037 1 10 . 1 1 16 16 VAL H H 16 8.049 8.049 8.474 -0.425 25268 1038 1 10 . 1 1 17 17 ARG N N 17 118.293 118.293 119.541 -1.248 25268 1039 1 10 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.047 -0.085 25268 1040 1 10 . 1 1 17 17 ARG CA C 17 60.100 60.100 59.569 0.531 25268 1041 1 10 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.788 0.312 25268 1042 1 10 . 1 1 17 17 ARG H H 17 8.247 8.247 8.015 0.232 25268 1043 1 10 . 1 1 18 18 ALA N N 18 121.103 121.103 122.748 -1.645 25268 1044 1 10 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.071 0.155 25268 1045 1 10 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.998 -0.298 25268 1046 1 10 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.155 0.151 25268 1047 1 10 . 1 1 18 18 ALA H H 18 7.874 7.874 7.867 0.007 25268 1048 1 10 . 1 1 19 19 MET N N 19 116.847 116.847 117.608 -0.761 25268 1049 1 10 . 1 1 19 19 MET HA H 19 4.192 4.192 4.156 0.036 25268 1050 1 10 . 1 1 19 19 MET CA C 19 58.650 58.650 57.740 0.910 25268 1051 1 10 . 1 1 19 19 MET CB C 19 33.413 33.413 31.645 1.768 25268 1052 1 10 . 1 1 19 19 MET H H 19 8.174 8.174 7.673 0.501 25268 1053 1 10 . 1 1 20 20 LEU N N 20 117.531 117.531 119.219 -1.688 25268 1054 1 10 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.099 0.172 25268 1055 1 10 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.626 -0.748 25268 1056 1 10 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.187 0.713 25268 1057 1 10 . 1 1 20 20 LEU H H 20 8.178 8.178 8.338 -0.160 25268 1058 1 10 . 1 1 21 21 GLY N N 21 105.942 105.942 106.292 -0.350 25268 1059 1 10 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.416 -1.016 25268 1060 1 10 . 1 1 21 21 GLY H H 21 8.006 8.006 8.540 -0.534 25268 1061 1 10 . 1 1 22 22 SER N N 22 115.031 115.031 115.706 -0.675 25268 1062 1 10 . 1 1 22 22 SER HA H 22 4.273 4.273 4.440 -0.167 25268 1063 1 10 . 1 1 22 22 SER CA C 22 59.500 59.500 60.653 -1.153 25268 1064 1 10 . 1 1 22 22 SER CB C 22 63.580 63.580 63.630 -0.049 25268 1065 1 10 . 1 1 22 22 SER H H 22 7.859 7.859 7.447 0.412 25268 1066 1 10 . 1 1 23 23 PHE N N 23 119.803 119.803 121.610 -1.807 25268 1067 1 10 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.294 0.327 25268 1068 1 10 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.211 -2.111 25268 1069 1 10 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.957 -0.287 25268 1070 1 10 . 1 1 23 23 PHE H H 23 7.837 7.837 8.087 -0.250 25268 1071 1 10 . 1 1 24 24 ARG N N 24 120.811 120.811 116.534 4.277 25268 1072 1 10 . 1 1 24 24 ARG HA H 24 4.366 4.366 3.921 0.445 25268 1073 1 10 . 1 1 24 24 ARG CA C 24 55.980 55.980 56.779 -0.799 25268 1074 1 10 . 1 1 24 24 ARG CB C 24 31.152 31.152 27.574 3.578 25268 1075 1 10 . 1 1 24 24 ARG H H 24 7.886 7.886 8.614 -0.728 25268 1076 1 10 . 1 1 25 25 LYS N N 25 123.162 123.162 113.763 9.399 25268 1077 1 10 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.110 0.290 25268 1078 1 10 . 1 1 25 25 LYS CA C 25 56.200 56.200 57.098 -0.898 25268 1079 1 10 . 1 1 25 25 LYS CB C 25 33.300 33.300 30.644 2.656 25268 1080 1 10 . 1 1 25 25 LYS H H 25 8.359 8.359 8.393 -0.034 25268 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 21 2.480 0.371 2.513 25268 2 1 1 "Average Difference" HA 25 0.229 -0.124 0.197 25268 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25268 4 1 1 "Average Difference" CA 24 1.176 0.147 1.192 25268 5 1 1 "Average Difference" CB 21 1.060 -0.509 0.953 25268 6 1 1 "Average Difference" HN 21 0.441 -0.064 0.447 25268 7 1 2 "Average Difference" N 21 2.082 -0.006 2.134 25268 8 1 2 "Average Difference" HA 25 0.289 -0.062 0.288 25268 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25268 10 1 2 "Average Difference" CA 24 1.127 -0.132 1.143 25268 11 1 2 "Average Difference" CB 21 1.246 -0.523 1.159 25268 12 1 2 "Average Difference" HN 21 0.482 0.021 0.494 25268 13 1 3 "Average Difference" N 21 2.720 -0.220 2.778 25268 14 1 3 "Average Difference" HA 25 0.268 -0.164 0.217 25268 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25268 16 1 3 "Average Difference" CA 24 1.182 0.115 1.202 25268 17 1 3 "Average Difference" CB 21 1.062 -0.745 0.776 25268 18 1 3 "Average Difference" HN 21 0.422 0.020 0.432 25268 19 1 4 "Average Difference" N 21 2.387 0.316 2.424 25268 20 1 4 "Average Difference" HA 25 0.243 -0.148 0.197 25268 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25268 22 1 4 "Average Difference" CA 24 1.315 -0.006 1.343 25268 23 1 4 "Average Difference" CB 21 1.112 -0.744 0.846 25268 24 1 4 "Average Difference" HN 21 0.402 0.022 0.412 25268 25 1 5 "Average Difference" N 21 2.691 -0.174 2.752 25268 26 1 5 "Average Difference" HA 25 0.266 -0.076 0.260 25268 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25268 28 1 5 "Average Difference" CA 24 1.261 0.068 1.286 25268 29 1 5 "Average Difference" CB 21 1.098 -0.387 1.053 25268 30 1 5 "Average Difference" HN 21 0.500 0.050 0.510 25268 31 1 6 "Average Difference" N 21 3.020 0.354 3.074 25268 32 1 6 "Average Difference" HA 25 0.259 -0.138 0.224 25268 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25268 34 1 6 "Average Difference" CA 24 1.029 -0.069 1.048 25268 35 1 6 "Average Difference" CB 21 1.126 -0.355 1.095 25268 36 1 6 "Average Difference" HN 21 0.419 -0.098 0.418 25268 37 1 7 "Average Difference" N 21 1.977 0.015 2.026 25268 38 1 7 "Average Difference" HA 25 0.223 -0.108 0.199 25268 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25268 40 1 7 "Average Difference" CA 24 1.196 -0.111 1.216 25268 41 1 7 "Average Difference" CB 21 1.016 -0.582 0.853 25268 42 1 7 "Average Difference" HN 21 0.550 -0.095 0.555 25268 43 1 8 "Average Difference" N 21 2.143 0.226 2.184 25268 44 1 8 "Average Difference" HA 25 0.205 -0.112 0.175 25268 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25268 46 1 8 "Average Difference" CA 24 1.057 0.027 1.079 25268 47 1 8 "Average Difference" CB 21 1.046 -0.535 0.921 25268 48 1 8 "Average Difference" HN 21 0.440 -0.053 0.447 25268 49 1 9 "Average Difference" N 21 2.867 -0.491 2.894 25268 50 1 9 "Average Difference" HA 25 0.299 -0.066 0.298 25268 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25268 52 1 9 "Average Difference" CA 24 1.166 -0.022 1.191 25268 53 1 9 "Average Difference" CB 21 1.066 -0.483 0.974 25268 54 1 9 "Average Difference" HN 21 0.415 -0.073 0.419 25268 55 1 10 "Average Difference" N 21 2.754 -0.583 2.758 25268 56 1 10 "Average Difference" HA 25 0.262 -0.135 0.229 25268 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25268 58 1 10 "Average Difference" CA 24 1.132 0.027 1.156 25268 59 1 10 "Average Difference" CB 21 1.392 -0.852 1.128 25268 60 1 10 "Average Difference" HN 21 0.549 -0.133 0.546 25268 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 25268 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS HA H 2 4.400 4.400 4.254 0.146 25268 2 1 . 1 1 2 2 LYS CA C 2 56.200 56.200 56.449 -0.249 25268 3 1 . 1 1 2 2 LYS CB C 2 33.300 33.300 33.027 0.273 25268 4 1 . 1 1 3 3 PHE N N 3 120.647 120.647 120.405 0.242 25268 5 1 . 1 1 3 3 PHE HA H 3 4.554 4.554 4.555 -0.001 25268 6 1 . 1 1 3 3 PHE CA C 3 58.080 58.080 57.561 0.519 25268 7 1 . 1 1 3 3 PHE CB C 3 40.155 40.155 39.230 0.925 25268 8 1 . 1 1 3 3 PHE H H 3 8.333 8.333 7.911 0.422 25268 9 1 . 1 1 4 4 TYR N N 4 119.545 119.545 119.835 -0.290 25268 10 1 . 1 1 4 4 TYR HA H 4 4.484 4.484 4.573 -0.089 25268 11 1 . 1 1 4 4 TYR CA C 4 58.100 58.100 57.625 0.475 25268 12 1 . 1 1 4 4 TYR CB C 4 38.700 38.700 38.999 -0.299 25268 13 1 . 1 1 4 4 TYR H H 4 7.835 7.835 7.780 0.055 25268 14 1 . 1 1 5 5 THR N N 5 113.849 113.849 112.590 1.259 25268 15 1 . 1 1 5 5 THR HA H 5 4.327 4.327 4.208 0.119 25268 16 1 . 1 1 5 5 THR CA C 5 62.200 62.200 62.669 -0.469 25268 17 1 . 1 1 5 5 THR CB C 5 69.500 69.500 68.861 0.639 25268 18 1 . 1 1 5 5 THR H H 5 7.921 7.921 8.300 -0.379 25268 19 1 . 1 1 6 6 ILE N N 6 121.812 121.812 121.412 0.400 25268 20 1 . 1 1 6 6 ILE HA H 6 4.242 4.242 4.225 0.017 25268 21 1 . 1 1 6 6 ILE CA C 6 60.900 60.900 60.702 0.198 25268 22 1 . 1 1 6 6 ILE CB C 6 39.278 39.278 39.790 -0.512 25268 23 1 . 1 1 6 6 ILE H H 6 7.877 7.877 7.694 0.183 25268 24 1 . 1 1 7 7 LYS N N 7 124.588 124.588 124.210 0.378 25268 25 1 . 1 1 7 7 LYS HA H 7 4.466 4.466 4.286 0.180 25268 26 1 . 1 1 7 7 LYS CA C 7 56.200 56.200 56.474 -0.274 25268 27 1 . 1 1 7 7 LYS CB C 7 33.300 33.300 31.514 1.786 25268 28 1 . 1 1 7 7 LYS H H 7 8.210 8.210 8.434 -0.224 25268 29 1 . 1 1 8 8 LEU N N 8 123.110 123.110 117.928 5.182 25268 30 1 . 1 1 8 8 LEU HA H 8 4.508 4.508 4.396 0.112 25268 31 1 . 1 1 8 8 LEU CA C 8 54.900 54.900 54.050 0.850 25268 32 1 . 1 1 8 8 LEU CB C 8 41.800 41.800 40.752 1.048 25268 33 1 . 1 1 8 8 LEU H H 8 8.421 8.421 7.402 1.019 25268 34 1 . 1 1 9 9 PRO HA H 9 4.451 4.451 4.563 -0.112 25268 35 1 . 1 1 9 9 PRO CA C 9 63.800 63.800 62.831 0.969 25268 36 1 . 1 1 9 9 PRO CB C 9 31.900 31.900 31.423 0.478 25268 37 1 . 1 1 10 10 LYS HA H 10 4.099 4.099 3.995 0.104 25268 38 1 . 1 1 10 10 LYS CA C 10 59.200 59.200 56.459 2.741 25268 39 1 . 1 1 10 10 LYS CB C 10 32.400 32.400 31.409 0.991 25268 40 1 . 1 1 11 11 PHE N N 11 117.741 117.741 121.200 -3.459 25268 41 1 . 1 1 11 11 PHE HA H 11 4.573 4.573 4.134 0.440 25268 42 1 . 1 1 11 11 PHE CA C 11 59.646 59.646 61.339 -1.693 25268 43 1 . 1 1 11 11 PHE CB C 11 38.700 38.700 38.934 -0.234 25268 44 1 . 1 1 11 11 PHE H H 11 8.385 8.385 8.190 0.195 25268 45 1 . 1 1 12 12 LEU N N 12 118.903 118.903 119.036 -0.133 25268 46 1 . 1 1 12 12 LEU HA H 12 4.045 4.045 4.211 -0.166 25268 47 1 . 1 1 12 12 LEU CA C 12 56.935 56.935 57.708 -0.773 25268 48 1 . 1 1 12 12 LEU CB C 12 42.158 42.158 40.829 1.329 25268 49 1 . 1 1 12 12 LEU H H 12 7.717 7.717 8.302 -0.585 25268 50 1 . 1 1 13 13 GLY N N 13 106.373 106.373 107.479 -1.106 25268 51 1 . 1 1 13 13 GLY CA C 13 47.544 47.544 47.222 0.322 25268 52 1 . 1 1 13 13 GLY H H 13 8.402 8.402 8.380 0.022 25268 53 1 . 1 1 14 14 GLY N N 14 108.291 108.291 109.245 -0.954 25268 54 1 . 1 1 14 14 GLY CA C 14 47.000 47.000 45.840 1.160 25268 55 1 . 1 1 14 14 GLY H H 14 8.110 8.110 7.836 0.274 25268 56 1 . 1 1 15 15 ILE N N 15 121.990 121.990 122.310 -0.320 25268 57 1 . 1 1 15 15 ILE HA H 15 3.861 3.861 3.742 0.119 25268 58 1 . 1 1 15 15 ILE CA C 15 64.570 64.570 64.692 -0.122 25268 59 1 . 1 1 15 15 ILE CB C 15 37.851 37.851 38.154 -0.303 25268 60 1 . 1 1 15 15 ILE H H 15 7.723 7.723 7.763 -0.040 25268 61 1 . 1 1 16 16 VAL N N 16 119.530 119.530 119.874 -0.344 25268 62 1 . 1 1 16 16 VAL HA H 16 3.612 3.612 3.617 -0.005 25268 63 1 . 1 1 16 16 VAL CA C 16 67.200 67.200 66.280 0.920 25268 64 1 . 1 1 16 16 VAL CB C 16 31.342 31.342 31.569 -0.227 25268 65 1 . 1 1 16 16 VAL H H 16 8.049 8.049 8.470 -0.421 25268 66 1 . 1 1 17 17 ARG N N 17 118.293 118.293 119.181 -0.888 25268 67 1 . 1 1 17 17 ARG HA H 17 3.962 3.962 4.058 -0.096 25268 68 1 . 1 1 17 17 ARG CA C 17 60.100 60.100 59.128 0.972 25268 69 1 . 1 1 17 17 ARG CB C 17 30.100 30.100 29.494 0.607 25268 70 1 . 1 1 17 17 ARG H H 17 8.247 8.247 7.904 0.343 25268 71 1 . 1 1 18 18 ALA N N 18 121.103 121.103 123.066 -1.963 25268 72 1 . 1 1 18 18 ALA HA H 18 4.226 4.226 4.094 0.132 25268 73 1 . 1 1 18 18 ALA CA C 18 54.700 54.700 54.982 -0.282 25268 74 1 . 1 1 18 18 ALA CB C 18 18.306 18.306 18.110 0.196 25268 75 1 . 1 1 18 18 ALA H H 18 7.874 7.874 7.914 -0.040 25268 76 1 . 1 1 19 19 MET N N 19 116.847 116.847 117.453 -0.606 25268 77 1 . 1 1 19 19 MET HA H 19 4.192 4.192 4.148 0.044 25268 78 1 . 1 1 19 19 MET CA C 19 58.650 58.650 57.885 0.765 25268 79 1 . 1 1 19 19 MET CB C 19 33.413 33.413 31.649 1.764 25268 80 1 . 1 1 19 19 MET H H 19 8.174 8.174 7.719 0.455 25268 81 1 . 1 1 20 20 LEU N N 20 117.531 117.531 119.044 -1.513 25268 82 1 . 1 1 20 20 LEU HA H 20 4.271 4.271 4.069 0.202 25268 83 1 . 1 1 20 20 LEU CA C 20 56.878 56.878 57.591 -0.713 25268 84 1 . 1 1 20 20 LEU CB C 20 41.900 41.900 41.276 0.624 25268 85 1 . 1 1 20 20 LEU H H 20 8.178 8.178 8.182 -0.004 25268 86 1 . 1 1 21 21 GLY N N 21 105.942 105.942 105.861 0.081 25268 87 1 . 1 1 21 21 GLY CA C 21 46.400 46.400 47.223 -0.823 25268 88 1 . 1 1 21 21 GLY H H 21 8.006 8.006 8.592 -0.585 25268 89 1 . 1 1 22 22 SER N N 22 115.031 115.031 116.207 -1.176 25268 90 1 . 1 1 22 22 SER HA H 22 4.273 4.273 4.408 -0.135 25268 91 1 . 1 1 22 22 SER CA C 22 59.500 59.500 60.460 -0.960 25268 92 1 . 1 1 22 22 SER CB C 22 63.580 63.580 63.542 0.038 25268 93 1 . 1 1 22 22 SER H H 22 7.859 7.859 7.630 0.229 25268 94 1 . 1 1 23 23 PHE N N 23 119.803 119.803 121.667 -1.864 25268 95 1 . 1 1 23 23 PHE HA H 23 4.621 4.621 4.255 0.366 25268 96 1 . 1 1 23 23 PHE CA C 23 58.100 58.100 60.339 -2.239 25268 97 1 . 1 1 23 23 PHE CB C 23 39.670 39.670 39.744 -0.074 25268 98 1 . 1 1 23 23 PHE H H 23 7.837 7.837 7.836 0.001 25268 99 1 . 1 1 24 24 ARG N N 24 120.811 120.811 116.865 3.946 25268 100 1 . 1 1 24 24 ARG HA H 24 4.366 4.366 4.019 0.347 25268 101 1 . 1 1 24 24 ARG CA C 24 55.980 55.980 56.793 -0.813 25268 102 1 . 1 1 24 24 ARG CB C 24 31.152 31.152 28.910 2.242 25268 103 1 . 1 1 24 24 ARG H H 24 7.886 7.886 8.130 -0.244 25268 104 1 . 1 1 25 25 LYS N N 25 123.162 123.162 119.633 3.529 25268 105 1 . 1 1 25 25 LYS HA H 25 4.400 4.400 4.146 0.254 25268 106 1 . 1 1 25 25 LYS CA C 25 56.200 56.200 56.786 -0.586 25268 107 1 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.593 0.707 25268 108 1 . 1 1 25 25 LYS H H 25 8.359 8.359 8.189 0.170 25268 stop_ save_