data_18083 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18083 _Entry.PDB_ID 2LLP 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 18083 _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 4 4 PRO HA H 14 4.341 4.341 4.544 -0.203 18083 2 1 1 . 1 1 4 4 PRO C C 14 176.264 176.264 176.360 -0.096 18083 3 1 1 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.443 -0.240 18083 4 1 1 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.523 -0.053 18083 5 1 1 . 1 1 5 5 GLN N N 15 122.142 122.142 120.044 2.098 18083 6 1 1 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.449 -0.184 18083 7 1 1 . 1 1 5 5 GLN C C 15 177.279 177.279 176.352 0.927 18083 8 1 1 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.239 0.708 18083 9 1 1 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.086 -1.285 18083 10 1 1 . 1 1 5 5 GLN H H 15 8.370 8.370 8.214 0.156 18083 11 1 1 . 1 1 6 6 GLY N N 16 109.233 109.233 107.423 1.810 18083 12 1 1 . 1 1 6 6 GLY C C 16 172.944 172.944 174.595 -1.651 18083 13 1 1 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.168 1.276 18083 14 1 1 . 1 1 6 6 GLY H H 16 8.149 8.149 8.349 -0.200 18083 15 1 1 . 1 1 7 7 ILE N N 17 116.996 116.996 117.026 -0.030 18083 16 1 1 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.266 -0.359 18083 17 1 1 . 1 1 7 7 ILE C C 17 175.595 175.595 175.911 -0.316 18083 18 1 1 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.152 0.625 18083 19 1 1 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.640 0.434 18083 20 1 1 . 1 1 7 7 ILE H H 17 8.196 8.196 8.008 0.188 18083 21 1 1 . 1 1 8 8 ALA N N 18 125.626 125.626 128.195 -2.569 18083 22 1 1 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.292 -0.014 18083 23 1 1 . 1 1 8 8 ALA C C 18 179.567 179.567 177.921 1.646 18083 24 1 1 . 1 1 8 8 ALA CA C 18 52.430 52.430 51.976 0.454 18083 25 1 1 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.289 -0.003 18083 26 1 1 . 1 1 8 8 ALA H H 18 8.109 8.109 8.248 -0.139 18083 27 1 1 . 1 1 9 9 GLY N N 19 105.179 105.179 110.404 -5.225 18083 28 1 1 . 1 1 9 9 GLY C C 19 173.364 173.364 174.237 -0.873 18083 29 1 1 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.738 0.015 18083 30 1 1 . 1 1 9 9 GLY H H 19 8.265 8.265 8.298 -0.033 18083 31 1 1 . 1 1 10 10 GLN N N 20 119.272 119.272 119.863 -0.591 18083 32 1 1 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.199 -0.147 18083 33 1 1 . 1 1 10 10 GLN C C 20 175.541 175.541 176.472 -0.931 18083 34 1 1 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.984 -0.492 18083 35 1 1 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.687 0.600 18083 36 1 1 . 1 1 10 10 GLN H H 20 8.213 8.213 8.363 -0.150 18083 37 1 1 . 1 1 11 11 ARG N N 21 123.788 123.788 122.541 1.247 18083 38 1 1 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.260 -0.051 18083 39 1 1 . 1 1 11 11 ARG C C 21 177.313 177.313 177.469 -0.156 18083 40 1 1 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.259 0.682 18083 41 1 1 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.433 0.233 18083 42 1 1 . 1 1 11 11 ARG H H 21 8.356 8.356 8.501 -0.145 18083 43 1 1 . 1 1 12 12 GLY N N 22 109.946 109.946 111.490 -1.544 18083 44 1 1 . 1 1 12 12 GLY C C 22 173.066 173.066 174.511 -1.445 18083 45 1 1 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.422 0.968 18083 46 1 1 . 1 1 12 12 GLY H H 22 8.304 8.304 8.320 -0.016 18083 47 1 1 . 1 1 13 13 VAL N N 23 118.403 118.403 121.420 -3.017 18083 48 1 1 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.040 -0.177 18083 49 1 1 . 1 1 13 13 VAL C C 23 174.942 174.942 176.044 -1.102 18083 50 1 1 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.301 0.933 18083 51 1 1 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.683 0.204 18083 52 1 1 . 1 1 13 13 VAL H H 23 8.327 8.327 7.955 0.372 18083 53 1 1 . 1 1 14 14 VAL N N 24 122.964 122.964 120.768 2.196 18083 54 1 1 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.147 -0.283 18083 55 1 1 . 1 1 14 14 VAL C C 24 175.484 175.484 176.603 -1.119 18083 56 1 1 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.160 -0.616 18083 57 1 1 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.185 0.026 18083 58 1 1 . 1 1 14 14 VAL H H 24 7.500 7.500 8.182 -0.682 18083 59 1 1 . 1 1 15 15 GLY N N 25 108.148 108.148 112.551 -4.403 18083 60 1 1 . 1 1 15 15 GLY C C 25 172.638 172.638 173.859 -1.221 18083 61 1 1 . 1 1 15 15 GLY CA C 25 45.200 45.200 45.083 0.117 18083 62 1 1 . 1 1 15 15 GLY H H 25 7.889 7.889 8.248 -0.359 18083 63 1 1 . 1 1 16 16 LEU N N 26 117.641 117.641 122.630 -4.989 18083 64 1 1 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.699 -0.543 18083 65 1 1 . 1 1 16 16 LEU C C 26 175.230 175.230 176.104 -0.874 18083 66 1 1 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.740 0.015 18083 67 1 1 . 1 1 16 16 LEU CB C 26 41.104 41.104 42.226 -1.122 18083 68 1 1 . 1 1 16 16 LEU H H 26 7.940 7.940 8.645 -0.705 18083 69 1 2 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.587 -0.246 18083 70 1 2 . 1 1 4 4 PRO C C 14 176.264 176.264 176.740 -0.476 18083 71 1 2 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.371 -0.168 18083 72 1 2 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.481 -0.011 18083 73 1 2 . 1 1 5 5 GLN N N 15 122.142 122.142 120.492 1.650 18083 74 1 2 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.343 -0.078 18083 75 1 2 . 1 1 5 5 GLN C C 15 177.279 177.279 176.102 1.177 18083 76 1 2 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.505 0.441 18083 77 1 2 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.740 -0.939 18083 78 1 2 . 1 1 5 5 GLN H H 15 8.370 8.370 8.322 0.048 18083 79 1 2 . 1 1 6 6 GLY N N 16 109.233 109.233 107.312 1.921 18083 80 1 2 . 1 1 6 6 GLY C C 16 172.944 172.944 174.675 -1.731 18083 81 1 2 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.300 1.144 18083 82 1 2 . 1 1 6 6 GLY H H 16 8.149 8.149 8.274 -0.125 18083 83 1 2 . 1 1 7 7 ILE N N 17 116.996 116.996 117.212 -0.216 18083 84 1 2 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.278 -0.371 18083 85 1 2 . 1 1 7 7 ILE C C 17 175.595 175.595 176.019 -0.424 18083 86 1 2 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.127 0.650 18083 87 1 2 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.718 0.356 18083 88 1 2 . 1 1 7 7 ILE H H 17 8.196 8.196 8.010 0.186 18083 89 1 2 . 1 1 8 8 ALA N N 18 125.626 125.626 128.061 -2.435 18083 90 1 2 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.262 0.016 18083 91 1 2 . 1 1 8 8 ALA C C 18 179.567 179.567 178.270 1.297 18083 92 1 2 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.274 0.156 18083 93 1 2 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.051 0.235 18083 94 1 2 . 1 1 8 8 ALA H H 18 8.109 8.109 8.167 -0.058 18083 95 1 2 . 1 1 9 9 GLY N N 19 105.179 105.179 108.257 -3.078 18083 96 1 2 . 1 1 9 9 GLY C C 19 173.364 173.364 174.642 -1.278 18083 97 1 2 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.733 0.020 18083 98 1 2 . 1 1 9 9 GLY H H 19 8.265 8.265 8.290 -0.025 18083 99 1 2 . 1 1 10 10 GLN N N 20 119.272 119.272 120.537 -1.265 18083 100 1 2 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.306 -0.254 18083 101 1 2 . 1 1 10 10 GLN C C 20 175.541 175.541 176.855 -1.314 18083 102 1 2 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.273 0.219 18083 103 1 2 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.403 0.884 18083 104 1 2 . 1 1 10 10 GLN H H 20 8.213 8.213 8.248 -0.035 18083 105 1 2 . 1 1 11 11 ARG N N 21 123.788 123.788 124.770 -0.982 18083 106 1 2 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.132 0.077 18083 107 1 2 . 1 1 11 11 ARG C C 21 177.313 177.313 176.899 0.414 18083 108 1 2 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.355 0.586 18083 109 1 2 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.761 -0.095 18083 110 1 2 . 1 1 11 11 ARG H H 21 8.356 8.356 8.510 -0.154 18083 111 1 2 . 1 1 12 12 GLY N N 22 109.946 109.946 113.511 -3.565 18083 112 1 2 . 1 1 12 12 GLY C C 22 173.066 173.066 174.263 -1.197 18083 113 1 2 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.162 1.228 18083 114 1 2 . 1 1 12 12 GLY H H 22 8.304 8.304 8.227 0.077 18083 115 1 2 . 1 1 13 13 VAL N N 23 118.403 118.403 118.445 -0.042 18083 116 1 2 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.151 -0.288 18083 117 1 2 . 1 1 13 13 VAL C C 23 174.942 174.942 176.765 -1.823 18083 118 1 2 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.507 0.727 18083 119 1 2 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.505 0.382 18083 120 1 2 . 1 1 13 13 VAL H H 23 8.327 8.327 8.034 0.293 18083 121 1 2 . 1 1 14 14 VAL N N 24 122.964 122.964 120.886 2.078 18083 122 1 2 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.119 -0.255 18083 123 1 2 . 1 1 14 14 VAL C C 24 175.484 175.484 176.598 -1.114 18083 124 1 2 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.332 -0.788 18083 125 1 2 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.242 -0.031 18083 126 1 2 . 1 1 14 14 VAL H H 24 7.500 7.500 7.967 -0.467 18083 127 1 2 . 1 1 15 15 GLY N N 25 108.148 108.148 112.244 -4.096 18083 128 1 2 . 1 1 15 15 GLY C C 25 172.638 172.638 173.419 -0.781 18083 129 1 2 . 1 1 15 15 GLY CA C 25 45.200 45.200 45.001 0.199 18083 130 1 2 . 1 1 15 15 GLY H H 25 7.889 7.889 8.248 -0.359 18083 131 1 2 . 1 1 16 16 LEU N N 26 117.641 117.641 120.961 -3.320 18083 132 1 2 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.797 -0.641 18083 133 1 2 . 1 1 16 16 LEU C C 26 175.230 175.230 175.764 -0.534 18083 134 1 2 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.636 0.119 18083 135 1 2 . 1 1 16 16 LEU CB C 26 41.104 41.104 43.549 -2.445 18083 136 1 2 . 1 1 16 16 LEU H H 26 7.940 7.940 8.657 -0.717 18083 137 1 3 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.568 -0.227 18083 138 1 3 . 1 1 4 4 PRO C C 14 176.264 176.264 176.422 -0.158 18083 139 1 3 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.421 -0.218 18083 140 1 3 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.306 0.164 18083 141 1 3 . 1 1 5 5 GLN N N 15 122.142 122.142 120.231 1.911 18083 142 1 3 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.340 -0.075 18083 143 1 3 . 1 1 5 5 GLN C C 15 177.279 177.279 176.304 0.975 18083 144 1 3 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.521 0.426 18083 145 1 3 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.054 -1.253 18083 146 1 3 . 1 1 5 5 GLN H H 15 8.370 8.370 8.260 0.110 18083 147 1 3 . 1 1 6 6 GLY N N 16 109.233 109.233 107.151 2.082 18083 148 1 3 . 1 1 6 6 GLY C C 16 172.944 172.944 174.410 -1.466 18083 149 1 3 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.055 1.389 18083 150 1 3 . 1 1 6 6 GLY H H 16 8.149 8.149 8.368 -0.219 18083 151 1 3 . 1 1 7 7 ILE N N 17 116.996 116.996 117.040 -0.044 18083 152 1 3 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.266 -0.359 18083 153 1 3 . 1 1 7 7 ILE C C 17 175.595 175.595 175.776 -0.181 18083 154 1 3 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.127 0.650 18083 155 1 3 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.878 0.196 18083 156 1 3 . 1 1 7 7 ILE H H 17 8.196 8.196 8.039 0.157 18083 157 1 3 . 1 1 8 8 ALA N N 18 125.626 125.626 128.741 -3.115 18083 158 1 3 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.290 -0.012 18083 159 1 3 . 1 1 8 8 ALA C C 18 179.567 179.567 178.153 1.414 18083 160 1 3 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.159 0.271 18083 161 1 3 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.099 0.187 18083 162 1 3 . 1 1 8 8 ALA H H 18 8.109 8.109 8.207 -0.098 18083 163 1 3 . 1 1 9 9 GLY N N 19 105.179 105.179 108.452 -3.273 18083 164 1 3 . 1 1 9 9 GLY C C 19 173.364 173.364 174.808 -1.444 18083 165 1 3 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.525 0.228 18083 166 1 3 . 1 1 9 9 GLY H H 19 8.265 8.265 8.334 -0.069 18083 167 1 3 . 1 1 10 10 GLN N N 20 119.272 119.272 120.650 -1.378 18083 168 1 3 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.269 -0.217 18083 169 1 3 . 1 1 10 10 GLN C C 20 175.541 175.541 176.764 -1.223 18083 170 1 3 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.665 -0.173 18083 171 1 3 . 1 1 10 10 GLN CB C 20 30.287 30.287 28.840 1.446 18083 172 1 3 . 1 1 10 10 GLN H H 20 8.213 8.213 8.281 -0.068 18083 173 1 3 . 1 1 11 11 ARG N N 21 123.788 123.788 125.834 -2.046 18083 174 1 3 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.298 -0.089 18083 175 1 3 . 1 1 11 11 ARG C C 21 177.313 177.313 176.919 0.394 18083 176 1 3 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.319 0.622 18083 177 1 3 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.925 -0.259 18083 178 1 3 . 1 1 11 11 ARG H H 21 8.356 8.356 8.325 0.031 18083 179 1 3 . 1 1 12 12 GLY N N 22 109.946 109.946 110.961 -1.015 18083 180 1 3 . 1 1 12 12 GLY C C 22 173.066 173.066 174.382 -1.316 18083 181 1 3 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.202 1.188 18083 182 1 3 . 1 1 12 12 GLY H H 22 8.304 8.304 8.424 -0.120 18083 183 1 3 . 1 1 13 13 VAL N N 23 118.403 118.403 121.092 -2.689 18083 184 1 3 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.927 -0.064 18083 185 1 3 . 1 1 13 13 VAL C C 23 174.942 174.942 177.088 -2.146 18083 186 1 3 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.876 0.359 18083 187 1 3 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.767 0.120 18083 188 1 3 . 1 1 13 13 VAL H H 23 8.327 8.327 8.110 0.217 18083 189 1 3 . 1 1 14 14 VAL N N 24 122.964 122.964 122.665 0.299 18083 190 1 3 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.041 -0.177 18083 191 1 3 . 1 1 14 14 VAL C C 24 175.484 175.484 176.120 -0.636 18083 192 1 3 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.822 -0.278 18083 193 1 3 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.175 0.036 18083 194 1 3 . 1 1 14 14 VAL H H 24 7.500 7.500 8.113 -0.613 18083 195 1 3 . 1 1 15 15 GLY N N 25 108.148 108.148 112.134 -3.986 18083 196 1 3 . 1 1 15 15 GLY C C 25 172.638 172.638 173.356 -0.718 18083 197 1 3 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.464 0.736 18083 198 1 3 . 1 1 15 15 GLY H H 25 7.889 7.889 8.741 -0.852 18083 199 1 3 . 1 1 16 16 LEU N N 26 117.641 117.641 121.283 -3.642 18083 200 1 3 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.730 -0.574 18083 201 1 3 . 1 1 16 16 LEU C C 26 175.230 175.230 175.753 -0.523 18083 202 1 3 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.297 0.458 18083 203 1 3 . 1 1 16 16 LEU CB C 26 41.104 41.104 43.566 -2.462 18083 204 1 3 . 1 1 16 16 LEU H H 26 7.940 7.940 8.695 -0.755 18083 205 1 4 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.628 -0.287 18083 206 1 4 . 1 1 4 4 PRO C C 14 176.264 176.264 176.448 -0.184 18083 207 1 4 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.461 -0.258 18083 208 1 4 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.553 -0.083 18083 209 1 4 . 1 1 5 5 GLN N N 15 122.142 122.142 119.794 2.348 18083 210 1 4 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.449 -0.184 18083 211 1 4 . 1 1 5 5 GLN C C 15 177.279 177.279 176.305 0.974 18083 212 1 4 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.248 0.699 18083 213 1 4 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.777 -0.976 18083 214 1 4 . 1 1 5 5 GLN H H 15 8.370 8.370 8.278 0.092 18083 215 1 4 . 1 1 6 6 GLY N N 16 109.233 109.233 107.535 1.698 18083 216 1 4 . 1 1 6 6 GLY C C 16 172.944 172.944 174.665 -1.721 18083 217 1 4 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.283 1.161 18083 218 1 4 . 1 1 6 6 GLY H H 16 8.149 8.149 8.297 -0.148 18083 219 1 4 . 1 1 7 7 ILE N N 17 116.996 116.996 117.397 -0.401 18083 220 1 4 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.263 -0.356 18083 221 1 4 . 1 1 7 7 ILE C C 17 175.595 175.595 175.801 -0.206 18083 222 1 4 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.095 0.682 18083 223 1 4 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.805 0.269 18083 224 1 4 . 1 1 7 7 ILE H H 17 8.196 8.196 8.052 0.144 18083 225 1 4 . 1 1 8 8 ALA N N 18 125.626 125.626 128.372 -2.746 18083 226 1 4 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.272 0.006 18083 227 1 4 . 1 1 8 8 ALA C C 18 179.567 179.567 178.025 1.542 18083 228 1 4 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.105 0.325 18083 229 1 4 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.100 0.186 18083 230 1 4 . 1 1 8 8 ALA H H 18 8.109 8.109 8.213 -0.104 18083 231 1 4 . 1 1 9 9 GLY N N 19 105.179 105.179 108.889 -3.710 18083 232 1 4 . 1 1 9 9 GLY C C 19 173.364 173.364 174.748 -1.384 18083 233 1 4 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.707 0.046 18083 234 1 4 . 1 1 9 9 GLY H H 19 8.265 8.265 8.379 -0.114 18083 235 1 4 . 1 1 10 10 GLN N N 20 119.272 119.272 121.117 -1.845 18083 236 1 4 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.339 -0.287 18083 237 1 4 . 1 1 10 10 GLN C C 20 175.541 175.541 176.818 -1.277 18083 238 1 4 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.420 0.072 18083 239 1 4 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.257 1.030 18083 240 1 4 . 1 1 10 10 GLN H H 20 8.213 8.213 8.206 0.007 18083 241 1 4 . 1 1 11 11 ARG N N 21 123.788 123.788 124.679 -0.891 18083 242 1 4 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.272 -0.063 18083 243 1 4 . 1 1 11 11 ARG C C 21 177.313 177.313 177.010 0.303 18083 244 1 4 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.347 0.594 18083 245 1 4 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.786 -0.120 18083 246 1 4 . 1 1 11 11 ARG H H 21 8.356 8.356 8.479 -0.123 18083 247 1 4 . 1 1 12 12 GLY N N 22 109.946 109.946 111.381 -1.435 18083 248 1 4 . 1 1 12 12 GLY C C 22 173.066 173.066 174.471 -1.405 18083 249 1 4 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.478 0.912 18083 250 1 4 . 1 1 12 12 GLY H H 22 8.304 8.304 8.380 -0.076 18083 251 1 4 . 1 1 13 13 VAL N N 23 118.403 118.403 122.883 -4.480 18083 252 1 4 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.931 -0.068 18083 253 1 4 . 1 1 13 13 VAL C C 23 174.942 174.942 177.030 -2.088 18083 254 1 4 . 1 1 13 13 VAL CA C 23 62.234 62.234 62.094 0.140 18083 255 1 4 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.255 0.631 18083 256 1 4 . 1 1 13 13 VAL H H 23 8.327 8.327 8.158 0.169 18083 257 1 4 . 1 1 14 14 VAL N N 24 122.964 122.964 123.301 -0.337 18083 258 1 4 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.041 -0.177 18083 259 1 4 . 1 1 14 14 VAL C C 24 175.484 175.484 176.705 -1.221 18083 260 1 4 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.372 -0.828 18083 261 1 4 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.245 -0.034 18083 262 1 4 . 1 1 14 14 VAL H H 24 7.500 7.500 7.990 -0.490 18083 263 1 4 . 1 1 15 15 GLY N N 25 108.148 108.148 113.271 -5.123 18083 264 1 4 . 1 1 15 15 GLY C C 25 172.638 172.638 173.507 -0.869 18083 265 1 4 . 1 1 15 15 GLY CA C 25 45.200 45.200 45.112 0.088 18083 266 1 4 . 1 1 15 15 GLY H H 25 7.889 7.889 8.296 -0.407 18083 267 1 4 . 1 1 16 16 LEU N N 26 117.641 117.641 121.220 -3.579 18083 268 1 4 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.798 -0.642 18083 269 1 4 . 1 1 16 16 LEU C C 26 175.230 175.230 175.689 -0.459 18083 270 1 4 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.548 0.207 18083 271 1 4 . 1 1 16 16 LEU CB C 26 41.104 41.104 43.549 -2.445 18083 272 1 4 . 1 1 16 16 LEU H H 26 7.940 7.940 8.647 -0.707 18083 273 1 5 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.500 -0.159 18083 274 1 5 . 1 1 4 4 PRO C C 14 176.264 176.264 176.927 -0.663 18083 275 1 5 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.291 -0.089 18083 276 1 5 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.246 0.224 18083 277 1 5 . 1 1 5 5 GLN N N 15 122.142 122.142 119.702 2.440 18083 278 1 5 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.281 -0.016 18083 279 1 5 . 1 1 5 5 GLN C C 15 177.279 177.279 176.898 0.381 18083 280 1 5 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.943 0.004 18083 281 1 5 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.290 -1.489 18083 282 1 5 . 1 1 5 5 GLN H H 15 8.370 8.370 8.433 -0.063 18083 283 1 5 . 1 1 6 6 GLY N N 16 109.233 109.233 107.443 1.790 18083 284 1 5 . 1 1 6 6 GLY C C 16 172.944 172.944 174.260 -1.316 18083 285 1 5 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.227 1.217 18083 286 1 5 . 1 1 6 6 GLY H H 16 8.149 8.149 8.237 -0.088 18083 287 1 5 . 1 1 7 7 ILE N N 17 116.996 116.996 121.216 -4.220 18083 288 1 5 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.047 -0.140 18083 289 1 5 . 1 1 7 7 ILE C C 17 175.595 175.595 176.599 -1.004 18083 290 1 5 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.254 0.523 18083 291 1 5 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.194 0.880 18083 292 1 5 . 1 1 7 7 ILE H H 17 8.196 8.196 8.153 0.043 18083 293 1 5 . 1 1 8 8 ALA N N 18 125.626 125.626 131.061 -5.435 18083 294 1 5 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.221 0.057 18083 295 1 5 . 1 1 8 8 ALA C C 18 179.567 179.567 178.090 1.477 18083 296 1 5 . 1 1 8 8 ALA CA C 18 52.430 52.430 51.972 0.458 18083 297 1 5 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.358 -0.072 18083 298 1 5 . 1 1 8 8 ALA H H 18 8.109 8.109 8.339 -0.230 18083 299 1 5 . 1 1 9 9 GLY N N 19 105.179 105.179 109.130 -3.951 18083 300 1 5 . 1 1 9 9 GLY C C 19 173.364 173.364 174.283 -0.919 18083 301 1 5 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.425 0.328 18083 302 1 5 . 1 1 9 9 GLY H H 19 8.265 8.265 8.195 0.070 18083 303 1 5 . 1 1 10 10 GLN N N 20 119.272 119.272 120.271 -0.999 18083 304 1 5 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.141 -0.089 18083 305 1 5 . 1 1 10 10 GLN C C 20 175.541 175.541 176.612 -1.071 18083 306 1 5 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.753 -0.261 18083 307 1 5 . 1 1 10 10 GLN CB C 20 30.287 30.287 27.985 2.302 18083 308 1 5 . 1 1 10 10 GLN H H 20 8.213 8.213 8.435 -0.222 18083 309 1 5 . 1 1 11 11 ARG N N 21 123.788 123.788 125.619 -1.831 18083 310 1 5 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.168 0.041 18083 311 1 5 . 1 1 11 11 ARG C C 21 177.313 177.313 176.898 0.415 18083 312 1 5 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.124 0.817 18083 313 1 5 . 1 1 11 11 ARG CB C 21 30.666 30.666 31.012 -0.345 18083 314 1 5 . 1 1 11 11 ARG H H 21 8.356 8.356 8.391 -0.035 18083 315 1 5 . 1 1 12 12 GLY N N 22 109.946 109.946 112.864 -2.918 18083 316 1 5 . 1 1 12 12 GLY C C 22 173.066 173.066 174.272 -1.206 18083 317 1 5 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.251 1.139 18083 318 1 5 . 1 1 12 12 GLY H H 22 8.304 8.304 8.232 0.072 18083 319 1 5 . 1 1 13 13 VAL N N 23 118.403 118.403 122.080 -3.677 18083 320 1 5 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.017 -0.154 18083 321 1 5 . 1 1 13 13 VAL C C 23 174.942 174.942 176.559 -1.617 18083 322 1 5 . 1 1 13 13 VAL CA C 23 62.234 62.234 62.183 0.051 18083 323 1 5 . 1 1 13 13 VAL CB C 23 32.887 32.887 33.021 -0.134 18083 324 1 5 . 1 1 13 13 VAL H H 23 8.327 8.327 8.183 0.144 18083 325 1 5 . 1 1 14 14 VAL N N 24 122.964 122.964 123.419 -0.455 18083 326 1 5 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.047 -0.183 18083 327 1 5 . 1 1 14 14 VAL C C 24 175.484 175.484 176.270 -0.786 18083 328 1 5 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.216 -0.672 18083 329 1 5 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.152 0.059 18083 330 1 5 . 1 1 14 14 VAL H H 24 7.500 7.500 7.979 -0.479 18083 331 1 5 . 1 1 15 15 GLY N N 25 108.148 108.148 111.987 -3.839 18083 332 1 5 . 1 1 15 15 GLY C C 25 172.638 172.638 173.583 -0.945 18083 333 1 5 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.912 0.288 18083 334 1 5 . 1 1 15 15 GLY H H 25 7.889 7.889 8.322 -0.433 18083 335 1 5 . 1 1 16 16 LEU N N 26 117.641 117.641 121.236 -3.595 18083 336 1 5 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.753 -0.597 18083 337 1 5 . 1 1 16 16 LEU C C 26 175.230 175.230 175.614 -0.384 18083 338 1 5 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.241 0.514 18083 339 1 5 . 1 1 16 16 LEU CB C 26 41.104 41.104 43.776 -2.672 18083 340 1 5 . 1 1 16 16 LEU H H 26 7.940 7.940 8.680 -0.740 18083 341 1 6 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.536 -0.195 18083 342 1 6 . 1 1 4 4 PRO C C 14 176.264 176.264 176.626 -0.362 18083 343 1 6 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.419 -0.216 18083 344 1 6 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.221 0.249 18083 345 1 6 . 1 1 5 5 GLN N N 15 122.142 122.142 120.789 1.353 18083 346 1 6 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.252 0.013 18083 347 1 6 . 1 1 5 5 GLN C C 15 177.279 177.279 176.356 0.923 18083 348 1 6 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.662 0.285 18083 349 1 6 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.869 -1.068 18083 350 1 6 . 1 1 5 5 GLN H H 15 8.370 8.370 8.307 0.063 18083 351 1 6 . 1 1 6 6 GLY N N 16 109.233 109.233 107.014 2.219 18083 352 1 6 . 1 1 6 6 GLY C C 16 172.944 172.944 174.385 -1.441 18083 353 1 6 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.131 1.313 18083 354 1 6 . 1 1 6 6 GLY H H 16 8.149 8.149 8.251 -0.102 18083 355 1 6 . 1 1 7 7 ILE N N 17 116.996 116.996 120.471 -3.475 18083 356 1 6 . 1 1 7 7 ILE HA H 17 3.907 3.907 3.987 -0.080 18083 357 1 6 . 1 1 7 7 ILE C C 17 175.595 175.595 176.427 -0.832 18083 358 1 6 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.099 0.678 18083 359 1 6 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.398 0.676 18083 360 1 6 . 1 1 7 7 ILE H H 17 8.196 8.196 8.031 0.165 18083 361 1 6 . 1 1 8 8 ALA N N 18 125.626 125.626 130.240 -4.614 18083 362 1 6 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.247 0.031 18083 363 1 6 . 1 1 8 8 ALA C C 18 179.567 179.567 177.873 1.694 18083 364 1 6 . 1 1 8 8 ALA CA C 18 52.430 52.430 51.899 0.531 18083 365 1 6 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.249 0.037 18083 366 1 6 . 1 1 8 8 ALA H H 18 8.109 8.109 8.235 -0.126 18083 367 1 6 . 1 1 9 9 GLY N N 19 105.179 105.179 109.752 -4.573 18083 368 1 6 . 1 1 9 9 GLY C C 19 173.364 173.364 174.031 -0.667 18083 369 1 6 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.591 0.162 18083 370 1 6 . 1 1 9 9 GLY H H 19 8.265 8.265 8.123 0.142 18083 371 1 6 . 1 1 10 10 GLN N N 20 119.272 119.272 119.955 -0.683 18083 372 1 6 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.256 -0.204 18083 373 1 6 . 1 1 10 10 GLN C C 20 175.541 175.541 176.227 -0.686 18083 374 1 6 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.556 -0.064 18083 375 1 6 . 1 1 10 10 GLN CB C 20 30.287 30.287 28.459 1.829 18083 376 1 6 . 1 1 10 10 GLN H H 20 8.213 8.213 8.463 -0.250 18083 377 1 6 . 1 1 11 11 ARG N N 21 123.788 123.788 126.041 -2.253 18083 378 1 6 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.127 0.082 18083 379 1 6 . 1 1 11 11 ARG C C 21 177.313 177.313 176.907 0.406 18083 380 1 6 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.173 0.768 18083 381 1 6 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.769 -0.103 18083 382 1 6 . 1 1 11 11 ARG H H 21 8.356 8.356 8.530 -0.174 18083 383 1 6 . 1 1 12 12 GLY N N 22 109.946 109.946 113.433 -3.487 18083 384 1 6 . 1 1 12 12 GLY C C 22 173.066 173.066 174.397 -1.331 18083 385 1 6 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.225 1.165 18083 386 1 6 . 1 1 12 12 GLY H H 22 8.304 8.304 8.228 0.076 18083 387 1 6 . 1 1 13 13 VAL N N 23 118.403 118.403 119.963 -1.560 18083 388 1 6 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.982 -0.119 18083 389 1 6 . 1 1 13 13 VAL C C 23 174.942 174.942 176.551 -1.609 18083 390 1 6 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.290 0.944 18083 391 1 6 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.685 0.202 18083 392 1 6 . 1 1 13 13 VAL H H 23 8.327 8.327 7.937 0.390 18083 393 1 6 . 1 1 14 14 VAL N N 24 122.964 122.964 120.745 2.219 18083 394 1 6 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.029 -0.165 18083 395 1 6 . 1 1 14 14 VAL C C 24 175.484 175.484 176.184 -0.700 18083 396 1 6 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.087 -0.543 18083 397 1 6 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.031 0.180 18083 398 1 6 . 1 1 14 14 VAL H H 24 7.500 7.500 8.124 -0.624 18083 399 1 6 . 1 1 15 15 GLY N N 25 108.148 108.148 112.381 -4.233 18083 400 1 6 . 1 1 15 15 GLY C C 25 172.638 172.638 173.383 -0.745 18083 401 1 6 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.470 0.730 18083 402 1 6 . 1 1 15 15 GLY H H 25 7.889 7.889 8.741 -0.852 18083 403 1 6 . 1 1 16 16 LEU N N 26 117.641 117.641 121.328 -3.687 18083 404 1 6 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.732 -0.576 18083 405 1 6 . 1 1 16 16 LEU C C 26 175.230 175.230 175.759 -0.529 18083 406 1 6 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.311 0.444 18083 407 1 6 . 1 1 16 16 LEU CB C 26 41.104 41.104 43.562 -2.458 18083 408 1 6 . 1 1 16 16 LEU H H 26 7.940 7.940 8.695 -0.755 18083 409 1 7 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.887 -0.546 18083 410 1 7 . 1 1 4 4 PRO C C 14 176.264 176.264 176.699 -0.435 18083 411 1 7 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.748 -0.545 18083 412 1 7 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.735 -0.265 18083 413 1 7 . 1 1 5 5 GLN N N 15 122.142 122.142 119.924 2.218 18083 414 1 7 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.359 -0.094 18083 415 1 7 . 1 1 5 5 GLN C C 15 177.279 177.279 176.332 0.947 18083 416 1 7 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.414 0.533 18083 417 1 7 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.358 -0.557 18083 418 1 7 . 1 1 5 5 GLN H H 15 8.370 8.370 8.396 -0.026 18083 419 1 7 . 1 1 6 6 GLY N N 16 109.233 109.233 107.886 1.347 18083 420 1 7 . 1 1 6 6 GLY C C 16 172.944 172.944 174.381 -1.437 18083 421 1 7 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.096 1.349 18083 422 1 7 . 1 1 6 6 GLY H H 16 8.149 8.149 8.240 -0.091 18083 423 1 7 . 1 1 7 7 ILE N N 17 116.996 116.996 120.302 -3.306 18083 424 1 7 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.163 -0.256 18083 425 1 7 . 1 1 7 7 ILE C C 17 175.595 175.595 177.331 -1.736 18083 426 1 7 . 1 1 7 7 ILE CA C 17 61.777 61.777 60.833 0.945 18083 427 1 7 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.869 0.205 18083 428 1 7 . 1 1 7 7 ILE H H 17 8.196 8.196 8.070 0.126 18083 429 1 7 . 1 1 8 8 ALA N N 18 125.626 125.626 128.209 -2.583 18083 430 1 7 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.269 0.009 18083 431 1 7 . 1 1 8 8 ALA C C 18 179.567 179.567 177.714 1.853 18083 432 1 7 . 1 1 8 8 ALA CA C 18 52.430 52.430 51.578 0.852 18083 433 1 7 . 1 1 8 8 ALA CB C 18 19.286 19.286 16.861 2.425 18083 434 1 7 . 1 1 8 8 ALA H H 18 8.109 8.109 8.656 -0.547 18083 435 1 7 . 1 1 9 9 GLY N N 19 105.179 105.179 107.192 -2.013 18083 436 1 7 . 1 1 9 9 GLY C C 19 173.364 173.364 173.530 -0.166 18083 437 1 7 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.612 0.141 18083 438 1 7 . 1 1 9 9 GLY H H 19 8.265 8.265 7.753 0.512 18083 439 1 7 . 1 1 10 10 GLN N N 20 119.272 119.272 119.359 -0.087 18083 440 1 7 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.527 -0.475 18083 441 1 7 . 1 1 10 10 GLN C C 20 175.541 175.541 175.023 0.518 18083 442 1 7 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.085 0.407 18083 443 1 7 . 1 1 10 10 GLN CB C 20 30.287 30.287 30.146 0.141 18083 444 1 7 . 1 1 10 10 GLN H H 20 8.213 8.213 8.194 0.019 18083 445 1 7 . 1 1 11 11 ARG N N 21 123.788 123.788 121.065 2.723 18083 446 1 7 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.324 -0.115 18083 447 1 7 . 1 1 11 11 ARG C C 21 177.313 177.313 177.305 0.008 18083 448 1 7 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.152 0.789 18083 449 1 7 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.341 0.325 18083 450 1 7 . 1 1 11 11 ARG H H 21 8.356 8.356 8.608 -0.252 18083 451 1 7 . 1 1 12 12 GLY N N 22 109.946 109.946 111.319 -1.373 18083 452 1 7 . 1 1 12 12 GLY C C 22 173.066 173.066 173.560 -0.494 18083 453 1 7 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.541 0.849 18083 454 1 7 . 1 1 12 12 GLY H H 22 8.304 8.304 8.389 -0.085 18083 455 1 7 . 1 1 13 13 VAL N N 23 118.403 118.403 120.360 -1.957 18083 456 1 7 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.114 -0.251 18083 457 1 7 . 1 1 13 13 VAL C C 23 174.942 174.942 176.458 -1.516 18083 458 1 7 . 1 1 13 13 VAL CA C 23 62.234 62.234 62.314 -0.080 18083 459 1 7 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.906 -0.019 18083 460 1 7 . 1 1 13 13 VAL H H 23 8.327 8.327 8.138 0.189 18083 461 1 7 . 1 1 14 14 VAL N N 24 122.964 122.964 126.108 -3.144 18083 462 1 7 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.102 -0.238 18083 463 1 7 . 1 1 14 14 VAL C C 24 175.484 175.484 176.575 -1.091 18083 464 1 7 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.458 0.086 18083 465 1 7 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.443 -0.232 18083 466 1 7 . 1 1 14 14 VAL H H 24 7.500 7.500 8.351 -0.851 18083 467 1 7 . 1 1 15 15 GLY N N 25 108.148 108.148 113.017 -4.869 18083 468 1 7 . 1 1 15 15 GLY C C 25 172.638 172.638 173.646 -1.008 18083 469 1 7 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.222 0.978 18083 470 1 7 . 1 1 15 15 GLY H H 25 7.889 7.889 8.348 -0.459 18083 471 1 7 . 1 1 16 16 LEU N N 26 117.641 117.641 123.382 -5.741 18083 472 1 7 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.710 -0.554 18083 473 1 7 . 1 1 16 16 LEU C C 26 175.230 175.230 176.219 -0.989 18083 474 1 7 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.010 0.745 18083 475 1 7 . 1 1 16 16 LEU CB C 26 41.104 41.104 42.113 -1.009 18083 476 1 7 . 1 1 16 16 LEU H H 26 7.940 7.940 8.354 -0.414 18083 477 1 8 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.572 -0.231 18083 478 1 8 . 1 1 4 4 PRO C C 14 176.264 176.264 176.632 -0.368 18083 479 1 8 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.274 -0.071 18083 480 1 8 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.272 0.198 18083 481 1 8 . 1 1 5 5 GLN N N 15 122.142 122.142 120.033 2.109 18083 482 1 8 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.234 0.031 18083 483 1 8 . 1 1 5 5 GLN C C 15 177.279 177.279 176.367 0.912 18083 484 1 8 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.655 0.292 18083 485 1 8 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.790 -0.989 18083 486 1 8 . 1 1 5 5 GLN H H 15 8.370 8.370 8.276 0.094 18083 487 1 8 . 1 1 6 6 GLY N N 16 109.233 109.233 107.380 1.853 18083 488 1 8 . 1 1 6 6 GLY C C 16 172.944 172.944 174.484 -1.540 18083 489 1 8 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.130 1.314 18083 490 1 8 . 1 1 6 6 GLY H H 16 8.149 8.149 8.311 -0.162 18083 491 1 8 . 1 1 7 7 ILE N N 17 116.996 116.996 120.666 -3.670 18083 492 1 8 . 1 1 7 7 ILE HA H 17 3.907 3.907 3.942 -0.035 18083 493 1 8 . 1 1 7 7 ILE C C 17 175.595 175.595 176.514 -0.919 18083 494 1 8 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.230 0.547 18083 495 1 8 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.048 1.026 18083 496 1 8 . 1 1 7 7 ILE H H 17 8.196 8.196 8.194 0.002 18083 497 1 8 . 1 1 8 8 ALA N N 18 125.626 125.626 131.053 -5.427 18083 498 1 8 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.167 0.111 18083 499 1 8 . 1 1 8 8 ALA C C 18 179.567 179.567 178.240 1.327 18083 500 1 8 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.416 0.014 18083 501 1 8 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.318 -0.032 18083 502 1 8 . 1 1 8 8 ALA H H 18 8.109 8.109 8.209 -0.100 18083 503 1 8 . 1 1 9 9 GLY N N 19 105.179 105.179 109.432 -4.253 18083 504 1 8 . 1 1 9 9 GLY C C 19 173.364 173.364 174.120 -0.756 18083 505 1 8 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.636 0.117 18083 506 1 8 . 1 1 9 9 GLY H H 19 8.265 8.265 8.383 -0.118 18083 507 1 8 . 1 1 10 10 GLN N N 20 119.272 119.272 120.152 -0.880 18083 508 1 8 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.110 -0.058 18083 509 1 8 . 1 1 10 10 GLN C C 20 175.541 175.541 176.648 -1.107 18083 510 1 8 . 1 1 10 10 GLN CA C 20 55.492 55.492 56.094 -0.602 18083 511 1 8 . 1 1 10 10 GLN CB C 20 30.287 30.287 28.357 1.930 18083 512 1 8 . 1 1 10 10 GLN H H 20 8.213 8.213 8.357 -0.144 18083 513 1 8 . 1 1 11 11 ARG N N 21 123.788 123.788 125.665 -1.877 18083 514 1 8 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.120 0.089 18083 515 1 8 . 1 1 11 11 ARG C C 21 177.313 177.313 176.939 0.374 18083 516 1 8 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.239 0.702 18083 517 1 8 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.861 -0.195 18083 518 1 8 . 1 1 11 11 ARG H H 21 8.356 8.356 8.470 -0.114 18083 519 1 8 . 1 1 12 12 GLY N N 22 109.946 109.946 113.182 -3.236 18083 520 1 8 . 1 1 12 12 GLY C C 22 173.066 173.066 174.384 -1.318 18083 521 1 8 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.228 1.162 18083 522 1 8 . 1 1 12 12 GLY H H 22 8.304 8.304 8.239 0.065 18083 523 1 8 . 1 1 13 13 VAL N N 23 118.403 118.403 120.209 -1.806 18083 524 1 8 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.941 -0.078 18083 525 1 8 . 1 1 13 13 VAL C C 23 174.942 174.942 176.545 -1.603 18083 526 1 8 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.483 0.751 18083 527 1 8 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.466 0.421 18083 528 1 8 . 1 1 13 13 VAL H H 23 8.327 8.327 7.977 0.350 18083 529 1 8 . 1 1 14 14 VAL N N 24 122.964 122.964 121.177 1.787 18083 530 1 8 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.189 -0.325 18083 531 1 8 . 1 1 14 14 VAL C C 24 175.484 175.484 176.325 -0.841 18083 532 1 8 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.543 0.001 18083 533 1 8 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.221 -0.010 18083 534 1 8 . 1 1 14 14 VAL H H 24 7.500 7.500 8.085 -0.585 18083 535 1 8 . 1 1 15 15 GLY N N 25 108.148 108.148 112.948 -4.800 18083 536 1 8 . 1 1 15 15 GLY C C 25 172.638 172.638 173.678 -1.040 18083 537 1 8 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.797 0.403 18083 538 1 8 . 1 1 15 15 GLY H H 25 7.889 7.889 8.628 -0.739 18083 539 1 8 . 1 1 16 16 LEU N N 26 117.641 117.641 123.009 -5.368 18083 540 1 8 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.670 -0.514 18083 541 1 8 . 1 1 16 16 LEU C C 26 175.230 175.230 176.228 -0.998 18083 542 1 8 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.878 -0.123 18083 543 1 8 . 1 1 16 16 LEU CB C 26 41.104 41.104 42.079 -0.975 18083 544 1 8 . 1 1 16 16 LEU H H 26 7.940 7.940 8.660 -0.720 18083 545 1 9 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.880 -0.539 18083 546 1 9 . 1 1 4 4 PRO C C 14 176.264 176.264 176.117 0.147 18083 547 1 9 . 1 1 4 4 PRO CA C 14 62.203 62.203 63.013 -0.810 18083 548 1 9 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.312 0.158 18083 549 1 9 . 1 1 5 5 GLN N N 15 122.142 122.142 119.388 2.754 18083 550 1 9 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.456 -0.191 18083 551 1 9 . 1 1 5 5 GLN C C 15 177.279 177.279 176.455 0.824 18083 552 1 9 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.059 0.888 18083 553 1 9 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.934 -1.133 18083 554 1 9 . 1 1 5 5 GLN H H 15 8.370 8.370 8.268 0.102 18083 555 1 9 . 1 1 6 6 GLY N N 16 109.233 109.233 107.340 1.893 18083 556 1 9 . 1 1 6 6 GLY C C 16 172.944 172.944 174.360 -1.416 18083 557 1 9 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.222 1.222 18083 558 1 9 . 1 1 6 6 GLY H H 16 8.149 8.149 8.187 -0.038 18083 559 1 9 . 1 1 7 7 ILE N N 17 116.996 116.996 120.143 -3.147 18083 560 1 9 . 1 1 7 7 ILE HA H 17 3.907 3.907 3.920 -0.013 18083 561 1 9 . 1 1 7 7 ILE C C 17 175.595 175.595 176.724 -1.129 18083 562 1 9 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.113 0.664 18083 563 1 9 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.406 0.668 18083 564 1 9 . 1 1 7 7 ILE H H 17 8.196 8.196 7.974 0.222 18083 565 1 9 . 1 1 8 8 ALA N N 18 125.626 125.626 130.077 -4.451 18083 566 1 9 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.277 0.001 18083 567 1 9 . 1 1 8 8 ALA C C 18 179.567 179.567 178.191 1.376 18083 568 1 9 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.107 0.323 18083 569 1 9 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.168 0.118 18083 570 1 9 . 1 1 8 8 ALA H H 18 8.109 8.109 8.221 -0.112 18083 571 1 9 . 1 1 9 9 GLY N N 19 105.179 105.179 108.820 -3.641 18083 572 1 9 . 1 1 9 9 GLY C C 19 173.364 173.364 174.618 -1.254 18083 573 1 9 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.606 0.147 18083 574 1 9 . 1 1 9 9 GLY H H 19 8.265 8.265 8.391 -0.126 18083 575 1 9 . 1 1 10 10 GLN N N 20 119.272 119.272 120.968 -1.696 18083 576 1 9 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.385 -0.333 18083 577 1 9 . 1 1 10 10 GLN C C 20 175.541 175.541 176.844 -1.303 18083 578 1 9 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.490 0.002 18083 579 1 9 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.135 1.152 18083 580 1 9 . 1 1 10 10 GLN H H 20 8.213 8.213 8.262 -0.049 18083 581 1 9 . 1 1 11 11 ARG N N 21 123.788 123.788 124.824 -1.036 18083 582 1 9 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.264 -0.055 18083 583 1 9 . 1 1 11 11 ARG C C 21 177.313 177.313 177.127 0.186 18083 584 1 9 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.301 0.640 18083 585 1 9 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.819 -0.153 18083 586 1 9 . 1 1 11 11 ARG H H 21 8.356 8.356 8.443 -0.087 18083 587 1 9 . 1 1 12 12 GLY N N 22 109.946 109.946 110.004 -0.058 18083 588 1 9 . 1 1 12 12 GLY C C 22 173.066 173.066 174.416 -1.350 18083 589 1 9 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.335 1.055 18083 590 1 9 . 1 1 12 12 GLY H H 22 8.304 8.304 8.310 -0.006 18083 591 1 9 . 1 1 13 13 VAL N N 23 118.403 118.403 118.892 -0.489 18083 592 1 9 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.984 -0.121 18083 593 1 9 . 1 1 13 13 VAL C C 23 174.942 174.942 176.361 -1.419 18083 594 1 9 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.770 0.464 18083 595 1 9 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.525 0.362 18083 596 1 9 . 1 1 13 13 VAL H H 23 8.327 8.327 7.985 0.342 18083 597 1 9 . 1 1 14 14 VAL N N 24 122.964 122.964 122.741 0.223 18083 598 1 9 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.015 -0.151 18083 599 1 9 . 1 1 14 14 VAL C C 24 175.484 175.484 176.551 -1.067 18083 600 1 9 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.369 -0.825 18083 601 1 9 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.649 -0.438 18083 602 1 9 . 1 1 14 14 VAL H H 24 7.500 7.500 8.253 -0.753 18083 603 1 9 . 1 1 15 15 GLY N N 25 108.148 108.148 115.488 -7.340 18083 604 1 9 . 1 1 15 15 GLY C C 25 172.638 172.638 173.002 -0.364 18083 605 1 9 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.733 0.467 18083 606 1 9 . 1 1 15 15 GLY H H 25 7.889 7.889 8.383 -0.494 18083 607 1 9 . 1 1 16 16 LEU N N 26 117.641 117.641 120.927 -3.286 18083 608 1 9 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.697 -0.541 18083 609 1 9 . 1 1 16 16 LEU C C 26 175.230 175.230 175.334 -0.104 18083 610 1 9 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.460 0.295 18083 611 1 9 . 1 1 16 16 LEU CB C 26 41.104 41.104 44.342 -3.238 18083 612 1 9 . 1 1 16 16 LEU H H 26 7.940 7.940 8.702 -0.762 18083 613 1 10 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.484 -0.143 18083 614 1 10 . 1 1 4 4 PRO C C 14 176.264 176.264 176.599 -0.335 18083 615 1 10 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.353 -0.150 18083 616 1 10 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.336 0.134 18083 617 1 10 . 1 1 5 5 GLN N N 15 122.142 122.142 119.920 2.222 18083 618 1 10 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.168 0.097 18083 619 1 10 . 1 1 5 5 GLN C C 15 177.279 177.279 176.614 0.665 18083 620 1 10 . 1 1 5 5 GLN CA C 15 55.947 55.947 56.292 -0.345 18083 621 1 10 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.284 -1.483 18083 622 1 10 . 1 1 5 5 GLN H H 15 8.370 8.370 8.432 -0.062 18083 623 1 10 . 1 1 6 6 GLY N N 16 109.233 109.233 109.004 0.229 18083 624 1 10 . 1 1 6 6 GLY C C 16 172.944 172.944 174.293 -1.349 18083 625 1 10 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.378 1.066 18083 626 1 10 . 1 1 6 6 GLY H H 16 8.149 8.149 8.240 -0.091 18083 627 1 10 . 1 1 7 7 ILE N N 17 116.996 116.996 120.531 -3.535 18083 628 1 10 . 1 1 7 7 ILE HA H 17 3.907 3.907 3.951 -0.044 18083 629 1 10 . 1 1 7 7 ILE C C 17 175.595 175.595 176.677 -1.082 18083 630 1 10 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.142 0.635 18083 631 1 10 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.361 0.713 18083 632 1 10 . 1 1 7 7 ILE H H 17 8.196 8.196 8.019 0.177 18083 633 1 10 . 1 1 8 8 ALA N N 18 125.626 125.626 129.714 -4.088 18083 634 1 10 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.260 0.018 18083 635 1 10 . 1 1 8 8 ALA C C 18 179.567 179.567 178.104 1.463 18083 636 1 10 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.272 0.159 18083 637 1 10 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.165 0.121 18083 638 1 10 . 1 1 8 8 ALA H H 18 8.109 8.109 8.245 -0.136 18083 639 1 10 . 1 1 9 9 GLY N N 19 105.179 105.179 108.989 -3.810 18083 640 1 10 . 1 1 9 9 GLY C C 19 173.364 173.364 174.400 -1.036 18083 641 1 10 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.426 0.327 18083 642 1 10 . 1 1 9 9 GLY H H 19 8.265 8.265 8.330 -0.065 18083 643 1 10 . 1 1 10 10 GLN N N 20 119.272 119.272 120.061 -0.789 18083 644 1 10 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.232 -0.180 18083 645 1 10 . 1 1 10 10 GLN C C 20 175.541 175.541 176.586 -1.045 18083 646 1 10 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.501 -0.009 18083 647 1 10 . 1 1 10 10 GLN CB C 20 30.287 30.287 28.454 1.833 18083 648 1 10 . 1 1 10 10 GLN H H 20 8.213 8.213 8.347 -0.134 18083 649 1 10 . 1 1 11 11 ARG N N 21 123.788 123.788 125.370 -1.582 18083 650 1 10 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.226 -0.017 18083 651 1 10 . 1 1 11 11 ARG C C 21 177.313 177.313 176.834 0.479 18083 652 1 10 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.092 0.849 18083 653 1 10 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.812 -0.146 18083 654 1 10 . 1 1 11 11 ARG H H 21 8.356 8.356 8.512 -0.156 18083 655 1 10 . 1 1 12 12 GLY N N 22 109.946 109.946 113.115 -3.169 18083 656 1 10 . 1 1 12 12 GLY C C 22 173.066 173.066 174.132 -1.066 18083 657 1 10 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.151 1.240 18083 658 1 10 . 1 1 12 12 GLY H H 22 8.304 8.304 8.195 0.109 18083 659 1 10 . 1 1 13 13 VAL N N 23 118.403 118.403 120.528 -2.125 18083 660 1 10 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.984 -0.121 18083 661 1 10 . 1 1 13 13 VAL C C 23 174.942 174.942 176.819 -1.877 18083 662 1 10 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.853 0.381 18083 663 1 10 . 1 1 13 13 VAL CB C 23 32.887 32.887 33.450 -0.563 18083 664 1 10 . 1 1 13 13 VAL H H 23 8.327 8.327 8.091 0.236 18083 665 1 10 . 1 1 14 14 VAL N N 24 122.964 122.964 125.276 -2.312 18083 666 1 10 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.103 -0.239 18083 667 1 10 . 1 1 14 14 VAL C C 24 175.484 175.484 175.699 -0.215 18083 668 1 10 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.759 -0.215 18083 669 1 10 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.144 0.067 18083 670 1 10 . 1 1 14 14 VAL H H 24 7.500 7.500 8.174 -0.674 18083 671 1 10 . 1 1 15 15 GLY N N 25 108.148 108.148 112.355 -4.207 18083 672 1 10 . 1 1 15 15 GLY C C 25 172.638 172.638 172.911 -0.273 18083 673 1 10 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.483 0.717 18083 674 1 10 . 1 1 15 15 GLY H H 25 7.889 7.889 8.767 -0.878 18083 675 1 10 . 1 1 16 16 LEU N N 26 117.641 117.641 119.842 -2.201 18083 676 1 10 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.562 -0.406 18083 677 1 10 . 1 1 16 16 LEU C C 26 175.230 175.230 174.745 0.485 18083 678 1 10 . 1 1 16 16 LEU CA C 26 53.755 53.755 52.456 1.299 18083 679 1 10 . 1 1 16 16 LEU CB C 26 41.104 41.104 45.298 -4.194 18083 680 1 10 . 1 1 16 16 LEU H H 26 7.940 7.940 8.126 -0.186 18083 681 1 11 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.893 -0.552 18083 682 1 11 . 1 1 4 4 PRO C C 14 176.264 176.264 176.196 0.068 18083 683 1 11 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.933 -0.730 18083 684 1 11 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.314 0.156 18083 685 1 11 . 1 1 5 5 GLN N N 15 122.142 122.142 119.327 2.815 18083 686 1 11 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.467 -0.202 18083 687 1 11 . 1 1 5 5 GLN C C 15 177.279 177.279 176.132 1.147 18083 688 1 11 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.016 0.931 18083 689 1 11 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.953 -1.151 18083 690 1 11 . 1 1 5 5 GLN H H 15 8.370 8.370 8.290 0.080 18083 691 1 11 . 1 1 6 6 GLY N N 16 109.233 109.233 107.321 1.912 18083 692 1 11 . 1 1 6 6 GLY C C 16 172.944 172.944 174.409 -1.465 18083 693 1 11 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.126 1.318 18083 694 1 11 . 1 1 6 6 GLY H H 16 8.149 8.149 8.261 -0.112 18083 695 1 11 . 1 1 7 7 ILE N N 17 116.996 116.996 119.895 -2.899 18083 696 1 11 . 1 1 7 7 ILE HA H 17 3.907 3.907 3.971 -0.064 18083 697 1 11 . 1 1 7 7 ILE C C 17 175.595 175.595 176.390 -0.795 18083 698 1 11 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.155 0.622 18083 699 1 11 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.385 0.690 18083 700 1 11 . 1 1 7 7 ILE H H 17 8.196 8.196 7.992 0.204 18083 701 1 11 . 1 1 8 8 ALA N N 18 125.626 125.626 129.885 -4.259 18083 702 1 11 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.269 0.009 18083 703 1 11 . 1 1 8 8 ALA C C 18 179.567 179.567 178.201 1.366 18083 704 1 11 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.051 0.379 18083 705 1 11 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.131 0.155 18083 706 1 11 . 1 1 8 8 ALA H H 18 8.109 8.109 8.228 -0.119 18083 707 1 11 . 1 1 9 9 GLY N N 19 105.179 105.179 108.702 -3.523 18083 708 1 11 . 1 1 9 9 GLY C C 19 173.364 173.364 174.554 -1.190 18083 709 1 11 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.639 0.114 18083 710 1 11 . 1 1 9 9 GLY H H 19 8.265 8.265 8.365 -0.100 18083 711 1 11 . 1 1 10 10 GLN N N 20 119.272 119.272 120.677 -1.405 18083 712 1 11 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.227 -0.175 18083 713 1 11 . 1 1 10 10 GLN C C 20 175.541 175.541 176.831 -1.290 18083 714 1 11 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.517 -0.025 18083 715 1 11 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.062 1.225 18083 716 1 11 . 1 1 10 10 GLN H H 20 8.213 8.213 8.281 -0.068 18083 717 1 11 . 1 1 11 11 ARG N N 21 123.788 123.788 125.190 -1.402 18083 718 1 11 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.153 0.056 18083 719 1 11 . 1 1 11 11 ARG C C 21 177.313 177.313 176.997 0.316 18083 720 1 11 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.253 0.688 18083 721 1 11 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.924 -0.258 18083 722 1 11 . 1 1 11 11 ARG H H 21 8.356 8.356 8.493 -0.137 18083 723 1 11 . 1 1 12 12 GLY N N 22 109.946 109.946 113.222 -3.276 18083 724 1 11 . 1 1 12 12 GLY C C 22 173.066 173.066 174.177 -1.111 18083 725 1 11 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.161 1.228 18083 726 1 11 . 1 1 12 12 GLY H H 22 8.304 8.304 8.189 0.115 18083 727 1 11 . 1 1 13 13 VAL N N 23 118.403 118.403 120.128 -1.725 18083 728 1 11 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.971 -0.108 18083 729 1 11 . 1 1 13 13 VAL C C 23 174.942 174.942 176.830 -1.888 18083 730 1 11 . 1 1 13 13 VAL CA C 23 62.234 62.234 62.310 -0.076 18083 731 1 11 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.245 0.642 18083 732 1 11 . 1 1 13 13 VAL H H 23 8.327 8.327 8.203 0.124 18083 733 1 11 . 1 1 14 14 VAL N N 24 122.964 122.964 125.349 -2.385 18083 734 1 11 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.019 -0.155 18083 735 1 11 . 1 1 14 14 VAL C C 24 175.484 175.484 177.132 -1.648 18083 736 1 11 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.504 -0.960 18083 737 1 11 . 1 1 14 14 VAL CB C 24 32.211 32.211 31.956 0.255 18083 738 1 11 . 1 1 14 14 VAL H H 24 7.500 7.500 8.098 -0.598 18083 739 1 11 . 1 1 15 15 GLY N N 25 108.148 108.148 113.758 -5.610 18083 740 1 11 . 1 1 15 15 GLY C C 25 172.638 172.638 173.406 -0.768 18083 741 1 11 . 1 1 15 15 GLY CA C 25 45.200 45.200 45.218 -0.018 18083 742 1 11 . 1 1 15 15 GLY H H 25 7.889 7.889 8.254 -0.365 18083 743 1 11 . 1 1 16 16 LEU N N 26 117.641 117.641 121.026 -3.385 18083 744 1 11 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.784 -0.628 18083 745 1 11 . 1 1 16 16 LEU C C 26 175.230 175.230 175.533 -0.303 18083 746 1 11 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.555 0.200 18083 747 1 11 . 1 1 16 16 LEU CB C 26 41.104 41.104 43.693 -2.589 18083 748 1 11 . 1 1 16 16 LEU H H 26 7.940 7.940 8.643 -0.703 18083 749 1 12 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.611 -0.270 18083 750 1 12 . 1 1 4 4 PRO C C 14 176.264 176.264 176.595 -0.331 18083 751 1 12 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.436 -0.233 18083 752 1 12 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.501 -0.030 18083 753 1 12 . 1 1 5 5 GLN N N 15 122.142 122.142 119.955 2.187 18083 754 1 12 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.410 -0.145 18083 755 1 12 . 1 1 5 5 GLN C C 15 177.279 177.279 176.304 0.975 18083 756 1 12 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.395 0.552 18083 757 1 12 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.720 -0.919 18083 758 1 12 . 1 1 5 5 GLN H H 15 8.370 8.370 8.297 0.073 18083 759 1 12 . 1 1 6 6 GLY N N 16 109.233 109.233 107.041 2.192 18083 760 1 12 . 1 1 6 6 GLY C C 16 172.944 172.944 174.220 -1.276 18083 761 1 12 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.294 1.151 18083 762 1 12 . 1 1 6 6 GLY H H 16 8.149 8.149 8.194 -0.045 18083 763 1 12 . 1 1 7 7 ILE N N 17 116.996 116.996 120.431 -3.435 18083 764 1 12 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.006 -0.099 18083 765 1 12 . 1 1 7 7 ILE C C 17 175.595 175.595 176.857 -1.262 18083 766 1 12 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.215 0.562 18083 767 1 12 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.470 0.604 18083 768 1 12 . 1 1 7 7 ILE H H 17 8.196 8.196 8.063 0.133 18083 769 1 12 . 1 1 8 8 ALA N N 18 125.626 125.626 130.764 -5.138 18083 770 1 12 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.286 -0.008 18083 771 1 12 . 1 1 8 8 ALA C C 18 179.567 179.567 178.326 1.241 18083 772 1 12 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.282 0.148 18083 773 1 12 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.207 0.078 18083 774 1 12 . 1 1 8 8 ALA H H 18 8.109 8.109 8.227 -0.118 18083 775 1 12 . 1 1 9 9 GLY N N 19 105.179 105.179 109.370 -4.191 18083 776 1 12 . 1 1 9 9 GLY C C 19 173.364 173.364 174.318 -0.954 18083 777 1 12 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.665 0.088 18083 778 1 12 . 1 1 9 9 GLY H H 19 8.265 8.265 8.412 -0.147 18083 779 1 12 . 1 1 10 10 GLN N N 20 119.272 119.272 119.945 -0.673 18083 780 1 12 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.325 -0.273 18083 781 1 12 . 1 1 10 10 GLN C C 20 175.541 175.541 176.692 -1.151 18083 782 1 12 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.584 -0.092 18083 783 1 12 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.230 1.058 18083 784 1 12 . 1 1 10 10 GLN H H 20 8.213 8.213 8.235 -0.022 18083 785 1 12 . 1 1 11 11 ARG N N 21 123.788 123.788 124.269 -0.481 18083 786 1 12 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.151 0.058 18083 787 1 12 . 1 1 11 11 ARG C C 21 177.313 177.313 177.068 0.245 18083 788 1 12 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.461 0.480 18083 789 1 12 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.512 0.153 18083 790 1 12 . 1 1 11 11 ARG H H 21 8.356 8.356 8.498 -0.142 18083 791 1 12 . 1 1 12 12 GLY N N 22 109.946 109.946 113.522 -3.576 18083 792 1 12 . 1 1 12 12 GLY C C 22 173.066 173.066 174.018 -0.952 18083 793 1 12 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.141 1.249 18083 794 1 12 . 1 1 12 12 GLY H H 22 8.304 8.304 8.188 0.116 18083 795 1 12 . 1 1 13 13 VAL N N 23 118.403 118.403 119.857 -1.454 18083 796 1 12 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.983 -0.120 18083 797 1 12 . 1 1 13 13 VAL C C 23 174.942 174.942 177.086 -2.144 18083 798 1 12 . 1 1 13 13 VAL CA C 23 62.234 62.234 62.247 -0.013 18083 799 1 12 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.212 0.675 18083 800 1 12 . 1 1 13 13 VAL H H 23 8.327 8.327 8.202 0.125 18083 801 1 12 . 1 1 14 14 VAL N N 24 122.964 122.964 122.559 0.405 18083 802 1 12 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.159 -0.295 18083 803 1 12 . 1 1 14 14 VAL C C 24 175.484 175.484 176.584 -1.100 18083 804 1 12 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.979 -0.435 18083 805 1 12 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.331 -0.120 18083 806 1 12 . 1 1 14 14 VAL H H 24 7.500 7.500 7.940 -0.440 18083 807 1 12 . 1 1 15 15 GLY N N 25 108.148 108.148 113.082 -4.934 18083 808 1 12 . 1 1 15 15 GLY C C 25 172.638 172.638 173.552 -0.914 18083 809 1 12 . 1 1 15 15 GLY CA C 25 45.200 45.200 45.220 -0.020 18083 810 1 12 . 1 1 15 15 GLY H H 25 7.889 7.889 8.299 -0.410 18083 811 1 12 . 1 1 16 16 LEU N N 26 117.641 117.641 123.046 -5.405 18083 812 1 12 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.656 -0.500 18083 813 1 12 . 1 1 16 16 LEU C C 26 175.230 175.230 175.877 -0.647 18083 814 1 12 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.253 0.502 18083 815 1 12 . 1 1 16 16 LEU CB C 26 41.104 41.104 43.110 -2.006 18083 816 1 12 . 1 1 16 16 LEU H H 26 7.940 7.940 8.180 -0.240 18083 817 1 13 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.565 -0.224 18083 818 1 13 . 1 1 4 4 PRO C C 14 176.264 176.264 176.512 -0.248 18083 819 1 13 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.310 -0.107 18083 820 1 13 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.275 0.195 18083 821 1 13 . 1 1 5 5 GLN N N 15 122.142 122.142 120.040 2.102 18083 822 1 13 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.257 0.008 18083 823 1 13 . 1 1 5 5 GLN C C 15 177.279 177.279 176.488 0.791 18083 824 1 13 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.633 0.314 18083 825 1 13 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.794 -0.993 18083 826 1 13 . 1 1 5 5 GLN H H 15 8.370 8.370 8.267 0.103 18083 827 1 13 . 1 1 6 6 GLY N N 16 109.233 109.233 107.753 1.480 18083 828 1 13 . 1 1 6 6 GLY C C 16 172.944 172.944 174.388 -1.444 18083 829 1 13 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.151 1.293 18083 830 1 13 . 1 1 6 6 GLY H H 16 8.149 8.149 8.284 -0.135 18083 831 1 13 . 1 1 7 7 ILE N N 17 116.996 116.996 120.106 -3.110 18083 832 1 13 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.020 -0.113 18083 833 1 13 . 1 1 7 7 ILE C C 17 175.595 175.595 176.525 -0.930 18083 834 1 13 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.127 0.650 18083 835 1 13 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.195 0.879 18083 836 1 13 . 1 1 7 7 ILE H H 17 8.196 8.196 8.119 0.077 18083 837 1 13 . 1 1 8 8 ALA N N 18 125.626 125.626 130.075 -4.449 18083 838 1 13 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.279 -0.001 18083 839 1 13 . 1 1 8 8 ALA C C 18 179.567 179.567 177.952 1.615 18083 840 1 13 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.090 0.341 18083 841 1 13 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.274 0.012 18083 842 1 13 . 1 1 8 8 ALA H H 18 8.109 8.109 8.207 -0.098 18083 843 1 13 . 1 1 9 9 GLY N N 19 105.179 105.179 108.923 -3.744 18083 844 1 13 . 1 1 9 9 GLY C C 19 173.364 173.364 174.611 -1.247 18083 845 1 13 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.515 0.238 18083 846 1 13 . 1 1 9 9 GLY H H 19 8.265 8.265 8.377 -0.112 18083 847 1 13 . 1 1 10 10 GLN N N 20 119.272 119.272 120.572 -1.300 18083 848 1 13 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.275 -0.223 18083 849 1 13 . 1 1 10 10 GLN C C 20 175.541 175.541 176.653 -1.112 18083 850 1 13 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.394 0.098 18083 851 1 13 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.449 0.838 18083 852 1 13 . 1 1 10 10 GLN H H 20 8.213 8.213 8.362 -0.149 18083 853 1 13 . 1 1 11 11 ARG N N 21 123.788 123.788 121.065 2.723 18083 854 1 13 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.292 -0.083 18083 855 1 13 . 1 1 11 11 ARG C C 21 177.313 177.313 177.132 0.181 18083 856 1 13 . 1 1 11 11 ARG CA C 21 56.941 56.941 55.959 0.982 18083 857 1 13 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.576 0.090 18083 858 1 13 . 1 1 11 11 ARG H H 21 8.356 8.356 8.546 -0.190 18083 859 1 13 . 1 1 12 12 GLY N N 22 109.946 109.946 111.134 -1.188 18083 860 1 13 . 1 1 12 12 GLY C C 22 173.066 173.066 174.408 -1.342 18083 861 1 13 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.537 0.853 18083 862 1 13 . 1 1 12 12 GLY H H 22 8.304 8.304 8.342 -0.038 18083 863 1 13 . 1 1 13 13 VAL N N 23 118.403 118.403 120.800 -2.397 18083 864 1 13 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.984 -0.121 18083 865 1 13 . 1 1 13 13 VAL C C 23 174.942 174.942 176.351 -1.409 18083 866 1 13 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.178 1.056 18083 867 1 13 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.775 0.112 18083 868 1 13 . 1 1 13 13 VAL H H 23 8.327 8.327 7.860 0.467 18083 869 1 13 . 1 1 14 14 VAL N N 24 122.964 122.964 121.190 1.774 18083 870 1 13 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.100 -0.236 18083 871 1 13 . 1 1 14 14 VAL C C 24 175.484 175.484 176.547 -1.063 18083 872 1 13 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.377 -0.833 18083 873 1 13 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.248 -0.037 18083 874 1 13 . 1 1 14 14 VAL H H 24 7.500 7.500 8.174 -0.674 18083 875 1 13 . 1 1 15 15 GLY N N 25 108.148 108.148 113.618 -5.470 18083 876 1 13 . 1 1 15 15 GLY C C 25 172.638 172.638 173.337 -0.699 18083 877 1 13 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.867 0.333 18083 878 1 13 . 1 1 15 15 GLY H H 25 7.889 7.889 8.341 -0.452 18083 879 1 13 . 1 1 16 16 LEU N N 26 117.641 117.641 120.661 -3.020 18083 880 1 13 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.667 -0.511 18083 881 1 13 . 1 1 16 16 LEU C C 26 175.230 175.230 175.185 0.045 18083 882 1 13 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.489 0.267 18083 883 1 13 . 1 1 16 16 LEU CB C 26 41.104 41.104 44.367 -3.263 18083 884 1 13 . 1 1 16 16 LEU H H 26 7.940 7.940 8.682 -0.742 18083 885 1 14 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.883 -0.542 18083 886 1 14 . 1 1 4 4 PRO C C 14 176.264 176.264 176.358 -0.094 18083 887 1 14 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.890 -0.687 18083 888 1 14 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.811 -0.341 18083 889 1 14 . 1 1 5 5 GLN N N 15 122.142 122.142 119.202 2.940 18083 890 1 14 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.778 -0.513 18083 891 1 14 . 1 1 5 5 GLN C C 15 177.279 177.279 176.172 1.107 18083 892 1 14 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.484 0.463 18083 893 1 14 . 1 1 5 5 GLN CB C 15 27.801 27.801 27.927 -0.126 18083 894 1 14 . 1 1 5 5 GLN H H 15 8.370 8.370 8.740 -0.370 18083 895 1 14 . 1 1 6 6 GLY N N 16 109.233 109.233 107.653 1.580 18083 896 1 14 . 1 1 6 6 GLY C C 16 172.944 172.944 173.812 -0.868 18083 897 1 14 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.234 1.210 18083 898 1 14 . 1 1 6 6 GLY H H 16 8.149 8.149 8.145 0.004 18083 899 1 14 . 1 1 7 7 ILE N N 17 116.996 116.996 120.514 -3.518 18083 900 1 14 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.045 -0.138 18083 901 1 14 . 1 1 7 7 ILE C C 17 175.595 175.595 176.456 -0.861 18083 902 1 14 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.337 0.440 18083 903 1 14 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.322 0.752 18083 904 1 14 . 1 1 7 7 ILE H H 17 8.196 8.196 8.150 0.046 18083 905 1 14 . 1 1 8 8 ALA N N 18 125.626 125.626 131.152 -5.526 18083 906 1 14 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.247 0.031 18083 907 1 14 . 1 1 8 8 ALA C C 18 179.567 179.567 178.211 1.356 18083 908 1 14 . 1 1 8 8 ALA CA C 18 52.430 52.430 51.949 0.481 18083 909 1 14 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.278 0.008 18083 910 1 14 . 1 1 8 8 ALA H H 18 8.109 8.109 8.345 -0.236 18083 911 1 14 . 1 1 9 9 GLY N N 19 105.179 105.179 109.752 -4.573 18083 912 1 14 . 1 1 9 9 GLY C C 19 173.364 173.364 174.108 -0.744 18083 913 1 14 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.583 0.170 18083 914 1 14 . 1 1 9 9 GLY H H 19 8.265 8.265 8.157 0.108 18083 915 1 14 . 1 1 10 10 GLN N N 20 119.272 119.272 119.937 -0.665 18083 916 1 14 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.144 -0.092 18083 917 1 14 . 1 1 10 10 GLN C C 20 175.541 175.541 176.317 -0.776 18083 918 1 14 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.965 -0.473 18083 919 1 14 . 1 1 10 10 GLN CB C 20 30.287 30.287 28.501 1.786 18083 920 1 14 . 1 1 10 10 GLN H H 20 8.213 8.213 8.440 -0.227 18083 921 1 14 . 1 1 11 11 ARG N N 21 123.788 123.788 126.442 -2.654 18083 922 1 14 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.214 -0.005 18083 923 1 14 . 1 1 11 11 ARG C C 21 177.313 177.313 177.090 0.223 18083 924 1 14 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.002 0.939 18083 925 1 14 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.800 -0.134 18083 926 1 14 . 1 1 11 11 ARG H H 21 8.356 8.356 8.556 -0.200 18083 927 1 14 . 1 1 12 12 GLY N N 22 109.946 109.946 113.845 -3.899 18083 928 1 14 . 1 1 12 12 GLY C C 22 173.066 173.066 174.119 -1.053 18083 929 1 14 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.069 1.321 18083 930 1 14 . 1 1 12 12 GLY H H 22 8.304 8.304 8.146 0.158 18083 931 1 14 . 1 1 13 13 VAL N N 23 118.403 118.403 119.311 -0.908 18083 932 1 14 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.991 -0.128 18083 933 1 14 . 1 1 13 13 VAL C C 23 174.942 174.942 176.939 -1.997 18083 934 1 14 . 1 1 13 13 VAL CA C 23 62.234 62.234 62.254 -0.020 18083 935 1 14 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.024 0.863 18083 936 1 14 . 1 1 13 13 VAL H H 23 8.327 8.327 7.956 0.371 18083 937 1 14 . 1 1 14 14 VAL N N 24 122.964 122.964 122.314 0.650 18083 938 1 14 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.013 -0.149 18083 939 1 14 . 1 1 14 14 VAL C C 24 175.484 175.484 175.758 -0.274 18083 940 1 14 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.846 -0.302 18083 941 1 14 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.492 -0.281 18083 942 1 14 . 1 1 14 14 VAL H H 24 7.500 7.500 8.086 -0.586 18083 943 1 14 . 1 1 15 15 GLY N N 25 108.148 108.148 111.766 -3.618 18083 944 1 14 . 1 1 15 15 GLY C C 25 172.638 172.638 173.733 -1.095 18083 945 1 14 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.671 0.529 18083 946 1 14 . 1 1 15 15 GLY H H 25 7.889 7.889 8.326 -0.437 18083 947 1 14 . 1 1 16 16 LEU N N 26 117.641 117.641 123.315 -5.674 18083 948 1 14 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.783 -0.627 18083 949 1 14 . 1 1 16 16 LEU C C 26 175.230 175.230 176.250 -1.020 18083 950 1 14 . 1 1 16 16 LEU CA C 26 53.755 53.755 52.691 1.064 18083 951 1 14 . 1 1 16 16 LEU CB C 26 41.104 41.104 41.938 -0.834 18083 952 1 14 . 1 1 16 16 LEU H H 26 7.940 7.940 8.150 -0.210 18083 953 1 15 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.584 -0.243 18083 954 1 15 . 1 1 4 4 PRO C C 14 176.264 176.264 176.500 -0.236 18083 955 1 15 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.331 -0.128 18083 956 1 15 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.292 0.178 18083 957 1 15 . 1 1 5 5 GLN N N 15 122.142 122.142 120.121 2.021 18083 958 1 15 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.279 -0.014 18083 959 1 15 . 1 1 5 5 GLN C C 15 177.279 177.279 176.172 1.107 18083 960 1 15 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.885 0.062 18083 961 1 15 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.045 -1.244 18083 962 1 15 . 1 1 5 5 GLN H H 15 8.370 8.370 8.237 0.133 18083 963 1 15 . 1 1 6 6 GLY N N 16 109.233 109.233 108.159 1.074 18083 964 1 15 . 1 1 6 6 GLY C C 16 172.944 172.944 174.213 -1.269 18083 965 1 15 . 1 1 6 6 GLY CA C 16 45.444 45.444 43.923 1.521 18083 966 1 15 . 1 1 6 6 GLY H H 16 8.149 8.149 8.361 -0.212 18083 967 1 15 . 1 1 7 7 ILE N N 17 116.996 116.996 120.958 -3.962 18083 968 1 15 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.059 -0.152 18083 969 1 15 . 1 1 7 7 ILE C C 17 175.595 175.595 176.959 -1.364 18083 970 1 15 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.254 0.523 18083 971 1 15 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.281 0.793 18083 972 1 15 . 1 1 7 7 ILE H H 17 8.196 8.196 8.032 0.164 18083 973 1 15 . 1 1 8 8 ALA N N 18 125.626 125.626 132.299 -6.673 18083 974 1 15 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.293 -0.015 18083 975 1 15 . 1 1 8 8 ALA C C 18 179.567 179.567 177.911 1.656 18083 976 1 15 . 1 1 8 8 ALA CA C 18 52.430 52.430 51.861 0.569 18083 977 1 15 . 1 1 8 8 ALA CB C 18 19.286 19.286 16.890 2.396 18083 978 1 15 . 1 1 8 8 ALA H H 18 8.109 8.109 8.688 -0.579 18083 979 1 15 . 1 1 9 9 GLY N N 19 105.179 105.179 109.043 -3.864 18083 980 1 15 . 1 1 9 9 GLY C C 19 173.364 173.364 173.460 -0.096 18083 981 1 15 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.491 0.262 18083 982 1 15 . 1 1 9 9 GLY H H 19 8.265 8.265 7.765 0.500 18083 983 1 15 . 1 1 10 10 GLN N N 20 119.272 119.272 119.531 -0.259 18083 984 1 15 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.479 -0.427 18083 985 1 15 . 1 1 10 10 GLN C C 20 175.541 175.541 175.644 -0.103 18083 986 1 15 . 1 1 10 10 GLN CA C 20 55.492 55.492 54.902 0.590 18083 987 1 15 . 1 1 10 10 GLN CB C 20 30.287 30.287 30.058 0.229 18083 988 1 15 . 1 1 10 10 GLN H H 20 8.213 8.213 8.275 -0.062 18083 989 1 15 . 1 1 11 11 ARG N N 21 123.788 123.788 122.599 1.189 18083 990 1 15 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.181 0.028 18083 991 1 15 . 1 1 11 11 ARG C C 21 177.313 177.313 176.850 0.463 18083 992 1 15 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.232 0.709 18083 993 1 15 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.196 0.470 18083 994 1 15 . 1 1 11 11 ARG H H 21 8.356 8.356 8.602 -0.246 18083 995 1 15 . 1 1 12 12 GLY N N 22 109.946 109.946 114.616 -4.670 18083 996 1 15 . 1 1 12 12 GLY C C 22 173.066 173.066 173.742 -0.676 18083 997 1 15 . 1 1 12 12 GLY CA C 22 45.390 45.390 45.773 -0.383 18083 998 1 15 . 1 1 12 12 GLY H H 22 8.304 8.304 8.830 -0.526 18083 999 1 15 . 1 1 13 13 VAL N N 23 118.403 118.403 116.363 2.040 18083 1000 1 15 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.197 -0.334 18083 1001 1 15 . 1 1 13 13 VAL C C 23 174.942 174.942 175.242 -0.300 18083 1002 1 15 . 1 1 13 13 VAL CA C 23 62.234 62.234 60.357 1.877 18083 1003 1 15 . 1 1 13 13 VAL CB C 23 32.887 32.887 33.780 -0.893 18083 1004 1 15 . 1 1 13 13 VAL H H 23 8.327 8.327 7.597 0.730 18083 1005 1 15 . 1 1 14 14 VAL N N 24 122.964 122.964 120.918 2.046 18083 1006 1 15 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.281 -0.417 18083 1007 1 15 . 1 1 14 14 VAL C C 24 175.484 175.484 176.206 -0.722 18083 1008 1 15 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.719 -0.175 18083 1009 1 15 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.081 0.130 18083 1010 1 15 . 1 1 14 14 VAL H H 24 7.500 7.500 8.257 -0.757 18083 1011 1 15 . 1 1 15 15 GLY N N 25 108.148 108.148 111.565 -3.417 18083 1012 1 15 . 1 1 15 15 GLY C C 25 172.638 172.638 173.231 -0.593 18083 1013 1 15 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.633 0.567 18083 1014 1 15 . 1 1 15 15 GLY H H 25 7.889 7.889 8.742 -0.854 18083 1015 1 15 . 1 1 16 16 LEU N N 26 117.641 117.641 120.183 -2.542 18083 1016 1 15 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.695 -0.539 18083 1017 1 15 . 1 1 16 16 LEU C C 26 175.230 175.230 175.315 -0.085 18083 1018 1 15 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.456 0.299 18083 1019 1 15 . 1 1 16 16 LEU CB C 26 41.104 41.104 44.265 -3.161 18083 1020 1 15 . 1 1 16 16 LEU H H 26 7.940 7.940 8.681 -0.741 18083 1021 1 16 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.389 -0.048 18083 1022 1 16 . 1 1 4 4 PRO C C 14 176.264 176.264 176.677 -0.413 18083 1023 1 16 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.917 -0.714 18083 1024 1 16 . 1 1 4 4 PRO CB C 14 32.470 32.470 31.832 0.638 18083 1025 1 16 . 1 1 5 5 GLN N N 15 122.142 122.142 123.314 -1.172 18083 1026 1 16 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.363 -0.098 18083 1027 1 16 . 1 1 5 5 GLN C C 15 177.279 177.279 177.024 0.255 18083 1028 1 16 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.663 0.284 18083 1029 1 16 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.327 -1.526 18083 1030 1 16 . 1 1 5 5 GLN H H 15 8.370 8.370 8.425 -0.055 18083 1031 1 16 . 1 1 6 6 GLY N N 16 109.233 109.233 108.585 0.648 18083 1032 1 16 . 1 1 6 6 GLY C C 16 172.944 172.944 174.555 -1.611 18083 1033 1 16 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.504 0.940 18083 1034 1 16 . 1 1 6 6 GLY H H 16 8.149 8.149 8.373 -0.224 18083 1035 1 16 . 1 1 7 7 ILE N N 17 116.996 116.996 121.227 -4.231 18083 1036 1 16 . 1 1 7 7 ILE HA H 17 3.907 3.907 3.950 -0.043 18083 1037 1 16 . 1 1 7 7 ILE C C 17 175.595 175.595 176.699 -1.104 18083 1038 1 16 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.176 0.601 18083 1039 1 16 . 1 1 7 7 ILE CB C 17 39.074 39.074 37.811 1.263 18083 1040 1 16 . 1 1 7 7 ILE H H 17 8.196 8.196 8.206 -0.009 18083 1041 1 16 . 1 1 8 8 ALA N N 18 125.626 125.626 130.338 -4.712 18083 1042 1 16 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.243 0.035 18083 1043 1 16 . 1 1 8 8 ALA C C 18 179.567 179.567 178.252 1.315 18083 1044 1 16 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.379 0.051 18083 1045 1 16 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.477 -0.191 18083 1046 1 16 . 1 1 8 8 ALA H H 18 8.109 8.109 8.115 -0.006 18083 1047 1 16 . 1 1 9 9 GLY N N 19 105.179 105.179 107.825 -2.646 18083 1048 1 16 . 1 1 9 9 GLY C C 19 173.364 173.364 174.482 -1.118 18083 1049 1 16 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.500 0.253 18083 1050 1 16 . 1 1 9 9 GLY H H 19 8.265 8.265 8.371 -0.106 18083 1051 1 16 . 1 1 10 10 GLN N N 20 119.272 119.272 118.995 0.277 18083 1052 1 16 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.305 -0.253 18083 1053 1 16 . 1 1 10 10 GLN C C 20 175.541 175.541 176.848 -1.307 18083 1054 1 16 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.470 0.022 18083 1055 1 16 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.307 0.980 18083 1056 1 16 . 1 1 10 10 GLN H H 20 8.213 8.213 8.172 0.041 18083 1057 1 16 . 1 1 11 11 ARG N N 21 123.788 123.788 121.457 2.331 18083 1058 1 16 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.346 -0.137 18083 1059 1 16 . 1 1 11 11 ARG C C 21 177.313 177.313 176.879 0.434 18083 1060 1 16 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.179 0.762 18083 1061 1 16 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.699 -0.033 18083 1062 1 16 . 1 1 11 11 ARG H H 21 8.356 8.356 8.404 -0.048 18083 1063 1 16 . 1 1 12 12 GLY N N 22 109.946 109.946 113.079 -3.133 18083 1064 1 16 . 1 1 12 12 GLY C C 22 173.066 173.066 174.397 -1.331 18083 1065 1 16 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.467 0.923 18083 1066 1 16 . 1 1 12 12 GLY H H 22 8.304 8.304 8.513 -0.209 18083 1067 1 16 . 1 1 13 13 VAL N N 23 118.403 118.403 122.584 -4.181 18083 1068 1 16 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.879 -0.016 18083 1069 1 16 . 1 1 13 13 VAL C C 23 174.942 174.942 176.346 -1.404 18083 1070 1 16 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.628 0.606 18083 1071 1 16 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.550 0.337 18083 1072 1 16 . 1 1 13 13 VAL H H 23 8.327 8.327 7.631 0.696 18083 1073 1 16 . 1 1 14 14 VAL N N 24 122.964 122.964 125.127 -2.163 18083 1074 1 16 . 1 1 14 14 VAL HA H 24 3.864 3.864 3.987 -0.123 18083 1075 1 16 . 1 1 14 14 VAL C C 24 175.484 175.484 177.244 -1.760 18083 1076 1 16 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.519 -0.975 18083 1077 1 16 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.032 0.179 18083 1078 1 16 . 1 1 14 14 VAL H H 24 7.500 7.500 8.304 -0.804 18083 1079 1 16 . 1 1 15 15 GLY N N 25 108.148 108.148 114.548 -6.400 18083 1080 1 16 . 1 1 15 15 GLY C C 25 172.638 172.638 174.039 -1.401 18083 1081 1 16 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.952 0.248 18083 1082 1 16 . 1 1 15 15 GLY H H 25 7.889 7.889 8.349 -0.460 18083 1083 1 16 . 1 1 16 16 LEU N N 26 117.641 117.641 123.383 -5.742 18083 1084 1 16 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.642 -0.486 18083 1085 1 16 . 1 1 16 16 LEU C C 26 175.230 175.230 176.144 -0.914 18083 1086 1 16 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.749 0.006 18083 1087 1 16 . 1 1 16 16 LEU CB C 26 41.104 41.104 42.448 -1.344 18083 1088 1 16 . 1 1 16 16 LEU H H 26 7.940 7.940 8.693 -0.753 18083 1089 1 17 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.575 -0.234 18083 1090 1 17 . 1 1 4 4 PRO C C 14 176.264 176.264 176.653 -0.389 18083 1091 1 17 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.371 -0.168 18083 1092 1 17 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.519 -0.049 18083 1093 1 17 . 1 1 5 5 GLN N N 15 122.142 122.142 120.937 1.205 18083 1094 1 17 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.358 -0.093 18083 1095 1 17 . 1 1 5 5 GLN C C 15 177.279 177.279 176.116 1.163 18083 1096 1 17 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.390 0.557 18083 1097 1 17 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.843 -1.042 18083 1098 1 17 . 1 1 5 5 GLN H H 15 8.370 8.370 8.322 0.048 18083 1099 1 17 . 1 1 6 6 GLY N N 16 109.233 109.233 107.417 1.816 18083 1100 1 17 . 1 1 6 6 GLY C C 16 172.944 172.944 174.530 -1.586 18083 1101 1 17 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.254 1.190 18083 1102 1 17 . 1 1 6 6 GLY H H 16 8.149 8.149 8.249 -0.100 18083 1103 1 17 . 1 1 7 7 ILE N N 17 116.996 116.996 120.715 -3.719 18083 1104 1 17 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.029 -0.122 18083 1105 1 17 . 1 1 7 7 ILE C C 17 175.595 175.595 176.814 -1.219 18083 1106 1 17 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.103 0.674 18083 1107 1 17 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.221 0.853 18083 1108 1 17 . 1 1 7 7 ILE H H 17 8.196 8.196 8.089 0.107 18083 1109 1 17 . 1 1 8 8 ALA N N 18 125.626 125.626 130.416 -4.790 18083 1110 1 17 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.233 0.045 18083 1111 1 17 . 1 1 8 8 ALA C C 18 179.567 179.567 177.887 1.680 18083 1112 1 17 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.020 0.410 18083 1113 1 17 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.380 -0.094 18083 1114 1 17 . 1 1 8 8 ALA H H 18 8.109 8.109 8.301 -0.192 18083 1115 1 17 . 1 1 9 9 GLY N N 19 105.179 105.179 109.525 -4.346 18083 1116 1 17 . 1 1 9 9 GLY C C 19 173.364 173.364 174.513 -1.149 18083 1117 1 17 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.623 0.130 18083 1118 1 17 . 1 1 9 9 GLY H H 19 8.265 8.265 8.163 0.102 18083 1119 1 17 . 1 1 10 10 GLN N N 20 119.272 119.272 120.206 -0.934 18083 1120 1 17 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.380 -0.328 18083 1121 1 17 . 1 1 10 10 GLN C C 20 175.541 175.541 176.750 -1.209 18083 1122 1 17 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.471 0.021 18083 1123 1 17 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.161 1.126 18083 1124 1 17 . 1 1 10 10 GLN H H 20 8.213 8.213 8.249 -0.036 18083 1125 1 17 . 1 1 11 11 ARG N N 21 123.788 123.788 124.777 -0.989 18083 1126 1 17 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.268 -0.059 18083 1127 1 17 . 1 1 11 11 ARG C C 21 177.313 177.313 176.922 0.391 18083 1128 1 17 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.277 0.664 18083 1129 1 17 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.856 -0.190 18083 1130 1 17 . 1 1 11 11 ARG H H 21 8.356 8.356 8.486 -0.130 18083 1131 1 17 . 1 1 12 12 GLY N N 22 109.946 109.946 111.484 -1.538 18083 1132 1 17 . 1 1 12 12 GLY C C 22 173.066 173.066 174.383 -1.317 18083 1133 1 17 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.309 1.081 18083 1134 1 17 . 1 1 12 12 GLY H H 22 8.304 8.304 8.214 0.090 18083 1135 1 17 . 1 1 13 13 VAL N N 23 118.403 118.403 119.488 -1.085 18083 1136 1 17 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.017 -0.154 18083 1137 1 17 . 1 1 13 13 VAL C C 23 174.942 174.942 176.834 -1.892 18083 1138 1 17 . 1 1 13 13 VAL CA C 23 62.234 62.234 62.198 0.036 18083 1139 1 17 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.364 0.523 18083 1140 1 17 . 1 1 13 13 VAL H H 23 8.327 8.327 8.002 0.325 18083 1141 1 17 . 1 1 14 14 VAL N N 24 122.964 122.964 122.818 0.146 18083 1142 1 17 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.010 -0.146 18083 1143 1 17 . 1 1 14 14 VAL C C 24 175.484 175.484 175.776 -0.292 18083 1144 1 17 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.859 -0.315 18083 1145 1 17 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.360 -0.149 18083 1146 1 17 . 1 1 14 14 VAL H H 24 7.500 7.500 8.159 -0.659 18083 1147 1 17 . 1 1 15 15 GLY N N 25 108.148 108.148 111.166 -3.018 18083 1148 1 17 . 1 1 15 15 GLY C C 25 172.638 172.638 173.819 -1.181 18083 1149 1 17 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.748 0.452 18083 1150 1 17 . 1 1 15 15 GLY H H 25 7.889 7.889 8.316 -0.427 18083 1151 1 17 . 1 1 16 16 LEU N N 26 117.641 117.641 124.603 -6.962 18083 1152 1 17 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.705 -0.549 18083 1153 1 17 . 1 1 16 16 LEU C C 26 175.230 175.230 176.460 -1.230 18083 1154 1 17 . 1 1 16 16 LEU CA C 26 53.755 53.755 52.891 0.864 18083 1155 1 17 . 1 1 16 16 LEU CB C 26 41.104 41.104 41.447 -0.343 18083 1156 1 17 . 1 1 16 16 LEU H H 26 7.940 7.940 8.256 -0.316 18083 1157 1 18 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.520 -0.179 18083 1158 1 18 . 1 1 4 4 PRO C C 14 176.264 176.264 176.676 -0.412 18083 1159 1 18 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.142 0.061 18083 1160 1 18 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.414 0.056 18083 1161 1 18 . 1 1 5 5 GLN N N 15 122.142 122.142 120.507 1.635 18083 1162 1 18 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.219 0.046 18083 1163 1 18 . 1 1 5 5 GLN C C 15 177.279 177.279 176.733 0.546 18083 1164 1 18 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.988 -0.041 18083 1165 1 18 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.602 -1.801 18083 1166 1 18 . 1 1 5 5 GLN H H 15 8.370 8.370 8.377 -0.007 18083 1167 1 18 . 1 1 6 6 GLY N N 16 109.233 109.233 112.288 -3.055 18083 1168 1 18 . 1 1 6 6 GLY C C 16 172.944 172.944 174.417 -1.473 18083 1169 1 18 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.845 0.599 18083 1170 1 18 . 1 1 6 6 GLY H H 16 8.149 8.149 8.474 -0.325 18083 1171 1 18 . 1 1 7 7 ILE N N 17 116.996 116.996 121.012 -4.016 18083 1172 1 18 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.318 -0.411 18083 1173 1 18 . 1 1 7 7 ILE C C 17 175.595 175.595 175.957 -0.362 18083 1174 1 18 . 1 1 7 7 ILE CA C 17 61.777 61.777 60.456 1.321 18083 1175 1 18 . 1 1 7 7 ILE CB C 17 39.074 39.074 40.045 -0.971 18083 1176 1 18 . 1 1 7 7 ILE H H 17 8.196 8.196 7.976 0.221 18083 1177 1 18 . 1 1 8 8 ALA N N 18 125.626 125.626 130.664 -5.038 18083 1178 1 18 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.345 -0.067 18083 1179 1 18 . 1 1 8 8 ALA C C 18 179.567 179.567 177.478 2.089 18083 1180 1 18 . 1 1 8 8 ALA CA C 18 52.430 52.430 51.843 0.587 18083 1181 1 18 . 1 1 8 8 ALA CB C 18 19.286 19.286 17.133 2.154 18083 1182 1 18 . 1 1 8 8 ALA H H 18 8.109 8.109 8.807 -0.698 18083 1183 1 18 . 1 1 9 9 GLY N N 19 105.179 105.179 107.472 -2.293 18083 1184 1 18 . 1 1 9 9 GLY C C 19 173.364 173.364 172.908 0.456 18083 1185 1 18 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.378 0.375 18083 1186 1 18 . 1 1 9 9 GLY H H 19 8.265 8.265 7.707 0.558 18083 1187 1 18 . 1 1 10 10 GLN N N 20 119.272 119.272 120.250 -0.978 18083 1188 1 18 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.483 -0.431 18083 1189 1 18 . 1 1 10 10 GLN C C 20 175.541 175.541 175.557 -0.016 18083 1190 1 18 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.166 0.326 18083 1191 1 18 . 1 1 10 10 GLN CB C 20 30.287 30.287 30.194 0.093 18083 1192 1 18 . 1 1 10 10 GLN H H 20 8.213 8.213 8.270 -0.057 18083 1193 1 18 . 1 1 11 11 ARG N N 21 123.788 123.788 124.078 -0.290 18083 1194 1 18 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.249 -0.040 18083 1195 1 18 . 1 1 11 11 ARG C C 21 177.313 177.313 177.223 0.090 18083 1196 1 18 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.023 0.918 18083 1197 1 18 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.967 -0.301 18083 1198 1 18 . 1 1 11 11 ARG H H 21 8.356 8.356 8.498 -0.142 18083 1199 1 18 . 1 1 12 12 GLY N N 22 109.946 109.946 112.782 -2.836 18083 1200 1 18 . 1 1 12 12 GLY C C 22 173.066 173.066 174.206 -1.140 18083 1201 1 18 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.262 1.128 18083 1202 1 18 . 1 1 12 12 GLY H H 22 8.304 8.304 8.283 0.021 18083 1203 1 18 . 1 1 13 13 VAL N N 23 118.403 118.403 119.537 -1.134 18083 1204 1 18 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.094 -0.231 18083 1205 1 18 . 1 1 13 13 VAL C C 23 174.942 174.942 176.748 -1.806 18083 1206 1 18 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.803 0.431 18083 1207 1 18 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.369 0.518 18083 1208 1 18 . 1 1 13 13 VAL H H 23 8.327 8.327 8.019 0.308 18083 1209 1 18 . 1 1 14 14 VAL N N 24 122.964 122.964 125.231 -2.267 18083 1210 1 18 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.012 -0.148 18083 1211 1 18 . 1 1 14 14 VAL C C 24 175.484 175.484 176.951 -1.467 18083 1212 1 18 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.601 -1.057 18083 1213 1 18 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.744 -0.533 18083 1214 1 18 . 1 1 14 14 VAL H H 24 7.500 7.500 8.195 -0.695 18083 1215 1 18 . 1 1 15 15 GLY N N 25 108.148 108.148 115.032 -6.884 18083 1216 1 18 . 1 1 15 15 GLY C C 25 172.638 172.638 173.114 -0.476 18083 1217 1 18 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.875 0.325 18083 1218 1 18 . 1 1 15 15 GLY H H 25 7.889 7.889 8.385 -0.496 18083 1219 1 18 . 1 1 16 16 LEU N N 26 117.641 117.641 120.391 -2.750 18083 1220 1 18 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.585 -0.429 18083 1221 1 18 . 1 1 16 16 LEU C C 26 175.230 175.230 175.353 -0.123 18083 1222 1 18 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.064 0.691 18083 1223 1 18 . 1 1 16 16 LEU CB C 26 41.104 41.104 43.366 -2.262 18083 1224 1 18 . 1 1 16 16 LEU H H 26 7.940 7.940 8.167 -0.227 18083 1225 1 19 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.633 -0.292 18083 1226 1 19 . 1 1 4 4 PRO C C 14 176.264 176.264 176.476 -0.212 18083 1227 1 19 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.378 -0.175 18083 1228 1 19 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.358 0.112 18083 1229 1 19 . 1 1 5 5 GLN N N 15 122.142 122.142 119.948 2.194 18083 1230 1 19 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.365 -0.100 18083 1231 1 19 . 1 1 5 5 GLN C C 15 177.279 177.279 176.238 1.041 18083 1232 1 19 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.334 0.613 18083 1233 1 19 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.895 -1.094 18083 1234 1 19 . 1 1 5 5 GLN H H 15 8.370 8.370 8.231 0.139 18083 1235 1 19 . 1 1 6 6 GLY N N 16 109.233 109.233 107.503 1.730 18083 1236 1 19 . 1 1 6 6 GLY C C 16 172.944 172.944 174.486 -1.542 18083 1237 1 19 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.178 1.266 18083 1238 1 19 . 1 1 6 6 GLY H H 16 8.149 8.149 8.343 -0.194 18083 1239 1 19 . 1 1 7 7 ILE N N 17 116.996 116.996 117.585 -0.589 18083 1240 1 19 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.195 -0.288 18083 1241 1 19 . 1 1 7 7 ILE C C 17 175.595 175.595 175.772 -0.177 18083 1242 1 19 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.018 0.759 18083 1243 1 19 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.723 0.351 18083 1244 1 19 . 1 1 7 7 ILE H H 17 8.196 8.196 7.973 0.223 18083 1245 1 19 . 1 1 8 8 ALA N N 18 125.626 125.626 127.588 -1.962 18083 1246 1 19 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.318 -0.040 18083 1247 1 19 . 1 1 8 8 ALA C C 18 179.567 179.567 178.101 1.466 18083 1248 1 19 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.080 0.350 18083 1249 1 19 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.092 0.194 18083 1250 1 19 . 1 1 8 8 ALA H H 18 8.109 8.109 8.249 -0.140 18083 1251 1 19 . 1 1 9 9 GLY N N 19 105.179 105.179 108.184 -3.005 18083 1252 1 19 . 1 1 9 9 GLY C C 19 173.364 173.364 174.589 -1.225 18083 1253 1 19 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.549 0.204 18083 1254 1 19 . 1 1 9 9 GLY H H 19 8.265 8.265 8.325 -0.060 18083 1255 1 19 . 1 1 10 10 GLN N N 20 119.272 119.272 120.414 -1.142 18083 1256 1 19 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.141 -0.089 18083 1257 1 19 . 1 1 10 10 GLN C C 20 175.541 175.541 176.764 -1.223 18083 1258 1 19 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.710 -0.218 18083 1259 1 19 . 1 1 10 10 GLN CB C 20 30.287 30.287 28.611 1.676 18083 1260 1 19 . 1 1 10 10 GLN H H 20 8.213 8.213 8.330 -0.117 18083 1261 1 19 . 1 1 11 11 ARG N N 21 123.788 123.788 125.721 -1.933 18083 1262 1 19 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.147 0.062 18083 1263 1 19 . 1 1 11 11 ARG C C 21 177.313 177.313 177.079 0.234 18083 1264 1 19 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.237 0.704 18083 1265 1 19 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.977 -0.311 18083 1266 1 19 . 1 1 11 11 ARG H H 21 8.356 8.356 8.486 -0.130 18083 1267 1 19 . 1 1 12 12 GLY N N 22 109.946 109.946 112.854 -2.908 18083 1268 1 19 . 1 1 12 12 GLY C C 22 173.066 173.066 174.214 -1.148 18083 1269 1 19 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.217 1.173 18083 1270 1 19 . 1 1 12 12 GLY H H 22 8.304 8.304 8.274 0.030 18083 1271 1 19 . 1 1 13 13 VAL N N 23 118.403 118.403 118.316 0.087 18083 1272 1 19 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.137 -0.274 18083 1273 1 19 . 1 1 13 13 VAL C C 23 174.942 174.942 176.563 -1.621 18083 1274 1 19 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.496 0.738 18083 1275 1 19 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.558 0.329 18083 1276 1 19 . 1 1 13 13 VAL H H 23 8.327 8.327 7.940 0.387 18083 1277 1 19 . 1 1 14 14 VAL N N 24 122.964 122.964 121.243 1.721 18083 1278 1 19 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.015 -0.151 18083 1279 1 19 . 1 1 14 14 VAL C C 24 175.484 175.484 176.435 -0.951 18083 1280 1 19 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.913 -0.369 18083 1281 1 19 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.219 -0.009 18083 1282 1 19 . 1 1 14 14 VAL H H 24 7.500 7.500 7.933 -0.433 18083 1283 1 19 . 1 1 15 15 GLY N N 25 108.148 108.148 112.368 -4.220 18083 1284 1 19 . 1 1 15 15 GLY C C 25 172.638 172.638 174.115 -1.477 18083 1285 1 19 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.743 0.457 18083 1286 1 19 . 1 1 15 15 GLY H H 25 7.889 7.889 8.314 -0.425 18083 1287 1 19 . 1 1 16 16 LEU N N 26 117.641 117.641 124.674 -7.033 18083 1288 1 19 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.606 -0.450 18083 1289 1 19 . 1 1 16 16 LEU C C 26 175.230 175.230 176.467 -1.237 18083 1290 1 19 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.414 0.341 18083 1291 1 19 . 1 1 16 16 LEU CB C 26 41.104 41.104 41.404 -0.299 18083 1292 1 19 . 1 1 16 16 LEU H H 26 7.940 7.940 8.273 -0.333 18083 1293 1 20 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.599 -0.258 18083 1294 1 20 . 1 1 4 4 PRO C C 14 176.264 176.264 176.517 -0.253 18083 1295 1 20 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.303 -0.100 18083 1296 1 20 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.861 -0.391 18083 1297 1 20 . 1 1 5 5 GLN N N 15 122.142 122.142 119.823 2.319 18083 1298 1 20 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.347 -0.082 18083 1299 1 20 . 1 1 5 5 GLN C C 15 177.279 177.279 175.606 1.673 18083 1300 1 20 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.593 0.354 18083 1301 1 20 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.580 -1.779 18083 1302 1 20 . 1 1 5 5 GLN H H 15 8.370 8.370 8.446 -0.076 18083 1303 1 20 . 1 1 6 6 GLY N N 16 109.233 109.233 108.902 0.331 18083 1304 1 20 . 1 1 6 6 GLY C C 16 172.944 172.944 173.667 -0.723 18083 1305 1 20 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.358 1.087 18083 1306 1 20 . 1 1 6 6 GLY H H 16 8.149 8.149 8.406 -0.257 18083 1307 1 20 . 1 1 7 7 ILE N N 17 116.996 116.996 119.792 -2.796 18083 1308 1 20 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.100 -0.193 18083 1309 1 20 . 1 1 7 7 ILE C C 17 175.595 175.595 176.986 -1.391 18083 1310 1 20 . 1 1 7 7 ILE CA C 17 61.777 61.777 60.546 1.231 18083 1311 1 20 . 1 1 7 7 ILE CB C 17 39.074 39.074 37.553 1.521 18083 1312 1 20 . 1 1 7 7 ILE H H 17 8.196 8.196 8.223 -0.027 18083 1313 1 20 . 1 1 8 8 ALA N N 18 125.626 125.626 131.603 -5.977 18083 1314 1 20 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.230 0.048 18083 1315 1 20 . 1 1 8 8 ALA C C 18 179.567 179.567 177.684 1.883 18083 1316 1 20 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.028 0.402 18083 1317 1 20 . 1 1 8 8 ALA CB C 18 19.286 19.286 17.454 1.832 18083 1318 1 20 . 1 1 8 8 ALA H H 18 8.109 8.109 8.712 -0.603 18083 1319 1 20 . 1 1 9 9 GLY N N 19 105.179 105.179 109.728 -4.549 18083 1320 1 20 . 1 1 9 9 GLY C C 19 173.364 173.364 172.704 0.660 18083 1321 1 20 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.848 -0.095 18083 1322 1 20 . 1 1 9 9 GLY H H 19 8.265 8.265 7.922 0.343 18083 1323 1 20 . 1 1 10 10 GLN N N 20 119.272 119.272 118.105 1.167 18083 1324 1 20 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.412 -0.360 18083 1325 1 20 . 1 1 10 10 GLN C C 20 175.541 175.541 174.648 0.893 18083 1326 1 20 . 1 1 10 10 GLN CA C 20 55.492 55.492 54.783 0.709 18083 1327 1 20 . 1 1 10 10 GLN CB C 20 30.287 30.287 30.619 -0.332 18083 1328 1 20 . 1 1 10 10 GLN H H 20 8.213 8.213 8.189 0.024 18083 1329 1 20 . 1 1 11 11 ARG N N 21 123.788 123.788 124.442 -0.654 18083 1330 1 20 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.175 0.034 18083 1331 1 20 . 1 1 11 11 ARG C C 21 177.313 177.313 176.791 0.522 18083 1332 1 20 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.325 0.617 18083 1333 1 20 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.596 0.070 18083 1334 1 20 . 1 1 11 11 ARG H H 21 8.356 8.356 8.672 -0.316 18083 1335 1 20 . 1 1 12 12 GLY N N 22 109.946 109.946 114.568 -4.622 18083 1336 1 20 . 1 1 12 12 GLY C C 22 173.066 173.066 173.990 -0.924 18083 1337 1 20 . 1 1 12 12 GLY CA C 22 45.390 45.390 45.616 -0.226 18083 1338 1 20 . 1 1 12 12 GLY H H 22 8.304 8.304 8.520 -0.216 18083 1339 1 20 . 1 1 13 13 VAL N N 23 118.403 118.403 117.380 1.023 18083 1340 1 20 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.230 -0.367 18083 1341 1 20 . 1 1 13 13 VAL C C 23 174.942 174.942 174.980 -0.038 18083 1342 1 20 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.067 1.167 18083 1343 1 20 . 1 1 13 13 VAL CB C 23 32.887 32.887 33.331 -0.444 18083 1344 1 20 . 1 1 13 13 VAL H H 23 8.327 8.327 7.618 0.709 18083 1345 1 20 . 1 1 14 14 VAL N N 24 122.964 122.964 120.115 2.849 18083 1346 1 20 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.315 -0.451 18083 1347 1 20 . 1 1 14 14 VAL C C 24 175.484 175.484 176.045 -0.561 18083 1348 1 20 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.553 -0.009 18083 1349 1 20 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.132 0.079 18083 1350 1 20 . 1 1 14 14 VAL H H 24 7.500 7.500 8.212 -0.712 18083 1351 1 20 . 1 1 15 15 GLY N N 25 108.148 108.148 111.595 -3.447 18083 1352 1 20 . 1 1 15 15 GLY C C 25 172.638 172.638 173.562 -0.924 18083 1353 1 20 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.559 0.641 18083 1354 1 20 . 1 1 15 15 GLY H H 25 7.889 7.889 8.591 -0.702 18083 1355 1 20 . 1 1 16 16 LEU N N 26 117.641 117.641 121.614 -3.973 18083 1356 1 20 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.725 -0.569 18083 1357 1 20 . 1 1 16 16 LEU C C 26 175.230 175.230 175.899 -0.669 18083 1358 1 20 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.574 0.181 18083 1359 1 20 . 1 1 16 16 LEU CB C 26 41.104 41.104 42.649 -1.545 18083 1360 1 20 . 1 1 16 16 LEU H H 26 7.940 7.940 8.681 -0.741 18083 1361 1 21 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.494 -0.153 18083 1362 1 21 . 1 1 4 4 PRO C C 14 176.264 176.264 176.469 -0.205 18083 1363 1 21 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.325 -0.122 18083 1364 1 21 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.374 0.096 18083 1365 1 21 . 1 1 5 5 GLN N N 15 122.142 122.142 121.142 1.000 18083 1366 1 21 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.256 0.009 18083 1367 1 21 . 1 1 5 5 GLN C C 15 177.279 177.279 176.690 0.589 18083 1368 1 21 . 1 1 5 5 GLN CA C 15 55.947 55.947 56.267 -0.320 18083 1369 1 21 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.145 -1.344 18083 1370 1 21 . 1 1 5 5 GLN H H 15 8.370 8.370 8.325 0.045 18083 1371 1 21 . 1 1 6 6 GLY N N 16 109.233 109.233 109.200 0.033 18083 1372 1 21 . 1 1 6 6 GLY C C 16 172.944 172.944 174.339 -1.395 18083 1373 1 21 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.350 1.094 18083 1374 1 21 . 1 1 6 6 GLY H H 16 8.149 8.149 8.297 -0.148 18083 1375 1 21 . 1 1 7 7 ILE N N 17 116.996 116.996 120.765 -3.769 18083 1376 1 21 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.006 -0.099 18083 1377 1 21 . 1 1 7 7 ILE C C 17 175.595 175.595 176.575 -0.980 18083 1378 1 21 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.039 0.738 18083 1379 1 21 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.418 0.656 18083 1380 1 21 . 1 1 7 7 ILE H H 17 8.196 8.196 8.048 0.148 18083 1381 1 21 . 1 1 8 8 ALA N N 18 125.626 125.626 129.991 -4.365 18083 1382 1 21 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.261 0.017 18083 1383 1 21 . 1 1 8 8 ALA C C 18 179.567 179.567 177.874 1.693 18083 1384 1 21 . 1 1 8 8 ALA CA C 18 52.430 52.430 51.789 0.641 18083 1385 1 21 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.322 -0.036 18083 1386 1 21 . 1 1 8 8 ALA H H 18 8.109 8.109 8.216 -0.107 18083 1387 1 21 . 1 1 9 9 GLY N N 19 105.179 105.179 109.260 -4.081 18083 1388 1 21 . 1 1 9 9 GLY C C 19 173.364 173.364 174.471 -1.107 18083 1389 1 21 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.526 0.227 18083 1390 1 21 . 1 1 9 9 GLY H H 19 8.265 8.265 8.156 0.109 18083 1391 1 21 . 1 1 10 10 GLN N N 20 119.272 119.272 119.878 -0.606 18083 1392 1 21 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.277 -0.225 18083 1393 1 21 . 1 1 10 10 GLN C C 20 175.541 175.541 176.670 -1.129 18083 1394 1 21 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.823 -0.331 18083 1395 1 21 . 1 1 10 10 GLN CB C 20 30.287 30.287 28.946 1.341 18083 1396 1 21 . 1 1 10 10 GLN H H 20 8.213 8.213 8.284 -0.071 18083 1397 1 21 . 1 1 11 11 ARG N N 21 123.788 123.788 124.693 -0.905 18083 1398 1 21 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.280 -0.071 18083 1399 1 21 . 1 1 11 11 ARG C C 21 177.313 177.313 176.747 0.566 18083 1400 1 21 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.262 0.679 18083 1401 1 21 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.910 -0.244 18083 1402 1 21 . 1 1 11 11 ARG H H 21 8.356 8.356 8.432 -0.076 18083 1403 1 21 . 1 1 12 12 GLY N N 22 109.946 109.946 112.220 -2.274 18083 1404 1 21 . 1 1 12 12 GLY C C 22 173.066 173.066 174.509 -1.443 18083 1405 1 21 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.451 0.939 18083 1406 1 21 . 1 1 12 12 GLY H H 22 8.304 8.304 8.319 -0.015 18083 1407 1 21 . 1 1 13 13 VAL N N 23 118.403 118.403 120.943 -2.540 18083 1408 1 21 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.069 -0.206 18083 1409 1 21 . 1 1 13 13 VAL C C 23 174.942 174.942 176.282 -1.340 18083 1410 1 21 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.112 1.122 18083 1411 1 21 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.936 -0.049 18083 1412 1 21 . 1 1 13 13 VAL H H 23 8.327 8.327 7.855 0.472 18083 1413 1 21 . 1 1 14 14 VAL N N 24 122.964 122.964 120.528 2.436 18083 1414 1 21 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.085 -0.221 18083 1415 1 21 . 1 1 14 14 VAL C C 24 175.484 175.484 176.160 -0.676 18083 1416 1 21 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.866 -0.322 18083 1417 1 21 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.053 0.158 18083 1418 1 21 . 1 1 14 14 VAL H H 24 7.500 7.500 8.117 -0.617 18083 1419 1 21 . 1 1 15 15 GLY N N 25 108.148 108.148 111.383 -3.235 18083 1420 1 21 . 1 1 15 15 GLY C C 25 172.638 172.638 173.388 -0.750 18083 1421 1 21 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.827 0.373 18083 1422 1 21 . 1 1 15 15 GLY H H 25 7.889 7.889 8.628 -0.739 18083 1423 1 21 . 1 1 16 16 LEU N N 26 117.641 117.641 121.980 -4.339 18083 1424 1 21 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.752 -0.596 18083 1425 1 21 . 1 1 16 16 LEU C C 26 175.230 175.230 175.963 -0.733 18083 1426 1 21 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.662 0.093 18083 1427 1 21 . 1 1 16 16 LEU CB C 26 41.104 41.104 42.753 -1.649 18083 1428 1 21 . 1 1 16 16 LEU H H 26 7.940 7.940 8.648 -0.708 18083 1429 1 22 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.953 -0.612 18083 1430 1 22 . 1 1 4 4 PRO C C 14 176.264 176.264 176.554 -0.290 18083 1431 1 22 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.728 -0.525 18083 1432 1 22 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.944 -0.474 18083 1433 1 22 . 1 1 5 5 GLN N N 15 122.142 122.142 119.017 3.125 18083 1434 1 22 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.634 -0.369 18083 1435 1 22 . 1 1 5 5 GLN C C 15 177.279 177.279 176.575 0.704 18083 1436 1 22 . 1 1 5 5 GLN CA C 15 55.947 55.947 56.066 -0.119 18083 1437 1 22 . 1 1 5 5 GLN CB C 15 27.801 27.801 27.661 0.140 18083 1438 1 22 . 1 1 5 5 GLN H H 15 8.370 8.370 8.671 -0.301 18083 1439 1 22 . 1 1 6 6 GLY N N 16 109.233 109.233 108.504 0.729 18083 1440 1 22 . 1 1 6 6 GLY C C 16 172.944 172.944 173.885 -0.941 18083 1441 1 22 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.872 0.572 18083 1442 1 22 . 1 1 6 6 GLY H H 16 8.149 8.149 8.562 -0.413 18083 1443 1 22 . 1 1 7 7 ILE N N 17 116.996 116.996 120.048 -3.052 18083 1444 1 22 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.357 -0.450 18083 1445 1 22 . 1 1 7 7 ILE C C 17 175.595 175.595 175.688 -0.093 18083 1446 1 22 . 1 1 7 7 ILE CA C 17 61.777 61.777 59.325 2.452 18083 1447 1 22 . 1 1 7 7 ILE CB C 17 39.074 39.074 39.292 -0.218 18083 1448 1 22 . 1 1 7 7 ILE H H 17 8.196 8.196 7.935 0.261 18083 1449 1 22 . 1 1 8 8 ALA N N 18 125.626 125.626 127.647 -2.021 18083 1450 1 22 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.416 -0.138 18083 1451 1 22 . 1 1 8 8 ALA C C 18 179.567 179.567 177.483 2.084 18083 1452 1 22 . 1 1 8 8 ALA CA C 18 52.430 52.430 51.637 0.793 18083 1453 1 22 . 1 1 8 8 ALA CB C 18 19.286 19.286 17.257 2.029 18083 1454 1 22 . 1 1 8 8 ALA H H 18 8.109 8.109 8.584 -0.475 18083 1455 1 22 . 1 1 9 9 GLY N N 19 105.179 105.179 109.368 -4.189 18083 1456 1 22 . 1 1 9 9 GLY C C 19 173.364 173.364 173.493 -0.129 18083 1457 1 22 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.338 0.415 18083 1458 1 22 . 1 1 9 9 GLY H H 19 8.265 8.265 7.689 0.576 18083 1459 1 22 . 1 1 10 10 GLN N N 20 119.272 119.272 120.199 -0.927 18083 1460 1 22 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.343 -0.291 18083 1461 1 22 . 1 1 10 10 GLN C C 20 175.541 175.541 176.283 -0.742 18083 1462 1 22 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.274 0.218 18083 1463 1 22 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.124 1.163 18083 1464 1 22 . 1 1 10 10 GLN H H 20 8.213 8.213 8.255 -0.042 18083 1465 1 22 . 1 1 11 11 ARG N N 21 123.788 123.788 125.891 -2.103 18083 1466 1 22 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.359 -0.150 18083 1467 1 22 . 1 1 11 11 ARG C C 21 177.313 177.313 175.588 1.725 18083 1468 1 22 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.560 0.381 18083 1469 1 22 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.962 -0.296 18083 1470 1 22 . 1 1 11 11 ARG H H 21 8.356 8.356 8.851 -0.495 18083 1471 1 22 . 1 1 12 12 GLY N N 22 109.946 109.946 111.985 -2.039 18083 1472 1 22 . 1 1 12 12 GLY C C 22 173.066 173.066 173.903 -0.837 18083 1473 1 22 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.563 0.827 18083 1474 1 22 . 1 1 12 12 GLY H H 22 8.304 8.304 8.284 0.020 18083 1475 1 22 . 1 1 13 13 VAL N N 23 118.403 118.403 116.324 2.079 18083 1476 1 22 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.345 -0.482 18083 1477 1 22 . 1 1 13 13 VAL C C 23 174.942 174.942 176.137 -1.195 18083 1478 1 22 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.367 0.867 18083 1479 1 22 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.752 0.135 18083 1480 1 22 . 1 1 13 13 VAL H H 23 8.327 8.327 7.964 0.363 18083 1481 1 22 . 1 1 14 14 VAL N N 24 122.964 122.964 121.865 1.099 18083 1482 1 22 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.081 -0.217 18083 1483 1 22 . 1 1 14 14 VAL C C 24 175.484 175.484 176.487 -1.003 18083 1484 1 22 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.567 -0.023 18083 1485 1 22 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.123 0.088 18083 1486 1 22 . 1 1 14 14 VAL H H 24 7.500 7.500 7.993 -0.493 18083 1487 1 22 . 1 1 15 15 GLY N N 25 108.148 108.148 113.417 -5.269 18083 1488 1 22 . 1 1 15 15 GLY C C 25 172.638 172.638 173.341 -0.703 18083 1489 1 22 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.450 0.750 18083 1490 1 22 . 1 1 15 15 GLY H H 25 7.889 7.889 8.755 -0.866 18083 1491 1 22 . 1 1 16 16 LEU N N 26 117.641 117.641 121.090 -3.449 18083 1492 1 22 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.728 -0.572 18083 1493 1 22 . 1 1 16 16 LEU C C 26 175.230 175.230 175.880 -0.650 18083 1494 1 22 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.263 0.492 18083 1495 1 22 . 1 1 16 16 LEU CB C 26 41.104 41.104 43.588 -2.484 18083 1496 1 22 . 1 1 16 16 LEU H H 26 7.940 7.940 8.700 -0.760 18083 1497 1 23 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.590 -0.249 18083 1498 1 23 . 1 1 4 4 PRO C C 14 176.264 176.264 176.698 -0.434 18083 1499 1 23 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.230 -0.027 18083 1500 1 23 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.389 0.081 18083 1501 1 23 . 1 1 5 5 GLN N N 15 122.142 122.142 120.445 1.697 18083 1502 1 23 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.217 0.048 18083 1503 1 23 . 1 1 5 5 GLN C C 15 177.279 177.279 176.355 0.924 18083 1504 1 23 . 1 1 5 5 GLN CA C 15 55.947 55.947 56.012 -0.065 18083 1505 1 23 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.907 -1.106 18083 1506 1 23 . 1 1 5 5 GLN H H 15 8.370 8.370 8.219 0.151 18083 1507 1 23 . 1 1 6 6 GLY N N 16 109.233 109.233 108.808 0.425 18083 1508 1 23 . 1 1 6 6 GLY C C 16 172.944 172.944 174.188 -1.244 18083 1509 1 23 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.605 0.839 18083 1510 1 23 . 1 1 6 6 GLY H H 16 8.149 8.149 8.412 -0.263 18083 1511 1 23 . 1 1 7 7 ILE N N 17 116.996 116.996 121.309 -4.313 18083 1512 1 23 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.257 -0.350 18083 1513 1 23 . 1 1 7 7 ILE C C 17 175.595 175.595 175.829 -0.234 18083 1514 1 23 . 1 1 7 7 ILE CA C 17 61.777 61.777 60.426 1.351 18083 1515 1 23 . 1 1 7 7 ILE CB C 17 39.074 39.074 39.747 -0.673 18083 1516 1 23 . 1 1 7 7 ILE H H 17 8.196 8.196 8.023 0.173 18083 1517 1 23 . 1 1 8 8 ALA N N 18 125.626 125.626 129.860 -4.234 18083 1518 1 23 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.320 -0.042 18083 1519 1 23 . 1 1 8 8 ALA C C 18 179.567 179.567 178.122 1.445 18083 1520 1 23 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.523 -0.092 18083 1521 1 23 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.259 0.027 18083 1522 1 23 . 1 1 8 8 ALA H H 18 8.109 8.109 8.322 -0.213 18083 1523 1 23 . 1 1 9 9 GLY N N 19 105.179 105.179 108.434 -3.255 18083 1524 1 23 . 1 1 9 9 GLY C C 19 173.364 173.364 174.722 -1.358 18083 1525 1 23 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.593 0.160 18083 1526 1 23 . 1 1 9 9 GLY H H 19 8.265 8.265 8.328 -0.063 18083 1527 1 23 . 1 1 10 10 GLN N N 20 119.272 119.272 120.252 -0.980 18083 1528 1 23 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.230 -0.178 18083 1529 1 23 . 1 1 10 10 GLN C C 20 175.541 175.541 176.740 -1.199 18083 1530 1 23 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.616 -0.124 18083 1531 1 23 . 1 1 10 10 GLN CB C 20 30.287 30.287 28.613 1.674 18083 1532 1 23 . 1 1 10 10 GLN H H 20 8.213 8.213 8.309 -0.096 18083 1533 1 23 . 1 1 11 11 ARG N N 21 123.788 123.788 125.137 -1.349 18083 1534 1 23 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.232 -0.023 18083 1535 1 23 . 1 1 11 11 ARG C C 21 177.313 177.313 177.151 0.162 18083 1536 1 23 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.060 0.881 18083 1537 1 23 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.980 -0.314 18083 1538 1 23 . 1 1 11 11 ARG H H 21 8.356 8.356 8.486 -0.130 18083 1539 1 23 . 1 1 12 12 GLY N N 22 109.946 109.946 111.112 -1.166 18083 1540 1 23 . 1 1 12 12 GLY C C 22 173.066 173.066 174.318 -1.252 18083 1541 1 23 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.389 1.001 18083 1542 1 23 . 1 1 12 12 GLY H H 22 8.304 8.304 8.240 0.064 18083 1543 1 23 . 1 1 13 13 VAL N N 23 118.403 118.403 120.316 -1.913 18083 1544 1 23 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.144 -0.281 18083 1545 1 23 . 1 1 13 13 VAL C C 23 174.942 174.942 176.140 -1.198 18083 1546 1 23 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.161 1.073 18083 1547 1 23 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.737 0.150 18083 1548 1 23 . 1 1 13 13 VAL H H 23 8.327 8.327 7.986 0.341 18083 1549 1 23 . 1 1 14 14 VAL N N 24 122.964 122.964 120.026 2.938 18083 1550 1 23 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.046 -0.182 18083 1551 1 23 . 1 1 14 14 VAL C C 24 175.484 175.484 175.960 -0.476 18083 1552 1 23 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.015 -0.471 18083 1553 1 23 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.258 -0.047 18083 1554 1 23 . 1 1 14 14 VAL H H 24 7.500 7.500 8.101 -0.601 18083 1555 1 23 . 1 1 15 15 GLY N N 25 108.148 108.148 109.939 -1.791 18083 1556 1 23 . 1 1 15 15 GLY C C 25 172.638 172.638 174.127 -1.489 18083 1557 1 23 . 1 1 15 15 GLY CA C 25 45.200 45.200 45.094 0.106 18083 1558 1 23 . 1 1 15 15 GLY H H 25 7.889 7.889 8.293 -0.404 18083 1559 1 23 . 1 1 16 16 LEU N N 26 117.641 117.641 125.442 -7.801 18083 1560 1 23 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.640 -0.484 18083 1561 1 23 . 1 1 16 16 LEU C C 26 175.230 175.230 176.492 -1.262 18083 1562 1 23 . 1 1 16 16 LEU CA C 26 53.755 53.755 52.960 0.795 18083 1563 1 23 . 1 1 16 16 LEU CB C 26 41.104 41.104 41.469 -0.366 18083 1564 1 23 . 1 1 16 16 LEU H H 26 7.940 7.940 8.231 -0.291 18083 1565 1 24 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.523 -0.182 18083 1566 1 24 . 1 1 4 4 PRO C C 14 176.264 176.264 176.549 -0.285 18083 1567 1 24 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.222 -0.019 18083 1568 1 24 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.400 0.070 18083 1569 1 24 . 1 1 5 5 GLN N N 15 122.142 122.142 120.603 1.539 18083 1570 1 24 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.257 0.008 18083 1571 1 24 . 1 1 5 5 GLN C C 15 177.279 177.279 176.809 0.470 18083 1572 1 24 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.871 0.076 18083 1573 1 24 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.591 -1.790 18083 1574 1 24 . 1 1 5 5 GLN H H 15 8.370 8.370 8.393 -0.023 18083 1575 1 24 . 1 1 6 6 GLY N N 16 109.233 109.233 111.632 -2.399 18083 1576 1 24 . 1 1 6 6 GLY C C 16 172.944 172.944 174.212 -1.268 18083 1577 1 24 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.564 0.880 18083 1578 1 24 . 1 1 6 6 GLY H H 16 8.149 8.149 8.431 -0.282 18083 1579 1 24 . 1 1 7 7 ILE N N 17 116.996 116.996 121.439 -4.443 18083 1580 1 24 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.302 -0.395 18083 1581 1 24 . 1 1 7 7 ILE C C 17 175.595 175.595 175.557 0.038 18083 1582 1 24 . 1 1 7 7 ILE CA C 17 61.777 61.777 60.486 1.291 18083 1583 1 24 . 1 1 7 7 ILE CB C 17 39.074 39.074 39.396 -0.322 18083 1584 1 24 . 1 1 7 7 ILE H H 17 8.196 8.196 8.034 0.162 18083 1585 1 24 . 1 1 8 8 ALA N N 18 125.626 125.626 130.206 -4.580 18083 1586 1 24 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.363 -0.085 18083 1587 1 24 . 1 1 8 8 ALA C C 18 179.567 179.567 178.142 1.425 18083 1588 1 24 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.334 0.096 18083 1589 1 24 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.410 -0.124 18083 1590 1 24 . 1 1 8 8 ALA H H 18 8.109 8.109 8.312 -0.203 18083 1591 1 24 . 1 1 9 9 GLY N N 19 105.179 105.179 109.565 -4.386 18083 1592 1 24 . 1 1 9 9 GLY C C 19 173.364 173.364 174.312 -0.948 18083 1593 1 24 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.669 0.084 18083 1594 1 24 . 1 1 9 9 GLY H H 19 8.265 8.265 8.420 -0.155 18083 1595 1 24 . 1 1 10 10 GLN N N 20 119.272 119.272 120.446 -1.174 18083 1596 1 24 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.404 -0.352 18083 1597 1 24 . 1 1 10 10 GLN C C 20 175.541 175.541 176.405 -0.864 18083 1598 1 24 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.416 0.076 18083 1599 1 24 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.201 1.086 18083 1600 1 24 . 1 1 10 10 GLN H H 20 8.213 8.213 8.248 -0.035 18083 1601 1 24 . 1 1 11 11 ARG N N 21 123.788 123.788 123.934 -0.146 18083 1602 1 24 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.260 -0.051 18083 1603 1 24 . 1 1 11 11 ARG C C 21 177.313 177.313 176.598 0.715 18083 1604 1 24 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.502 0.439 18083 1605 1 24 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.706 -0.040 18083 1606 1 24 . 1 1 11 11 ARG H H 21 8.356 8.356 8.441 -0.085 18083 1607 1 24 . 1 1 12 12 GLY N N 22 109.946 109.946 111.437 -1.491 18083 1608 1 24 . 1 1 12 12 GLY C C 22 173.066 173.066 174.088 -1.022 18083 1609 1 24 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.130 1.260 18083 1610 1 24 . 1 1 12 12 GLY H H 22 8.304 8.304 8.361 -0.057 18083 1611 1 24 . 1 1 13 13 VAL N N 23 118.403 118.403 119.133 -0.730 18083 1612 1 24 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.075 -0.212 18083 1613 1 24 . 1 1 13 13 VAL C C 23 174.942 174.942 176.803 -1.861 18083 1614 1 24 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.583 0.651 18083 1615 1 24 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.253 0.634 18083 1616 1 24 . 1 1 13 13 VAL H H 23 8.327 8.327 8.041 0.286 18083 1617 1 24 . 1 1 14 14 VAL N N 24 122.964 122.964 122.200 0.764 18083 1618 1 24 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.151 -0.287 18083 1619 1 24 . 1 1 14 14 VAL C C 24 175.484 175.484 176.789 -1.305 18083 1620 1 24 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.209 -0.665 18083 1621 1 24 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.242 -0.031 18083 1622 1 24 . 1 1 14 14 VAL H H 24 7.500 7.500 7.938 -0.438 18083 1623 1 24 . 1 1 15 15 GLY N N 25 108.148 108.148 113.910 -5.762 18083 1624 1 24 . 1 1 15 15 GLY C C 25 172.638 172.638 173.353 -0.715 18083 1625 1 24 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.894 0.306 18083 1626 1 24 . 1 1 15 15 GLY H H 25 7.889 7.889 8.339 -0.450 18083 1627 1 24 . 1 1 16 16 LEU N N 26 117.641 117.641 120.009 -2.368 18083 1628 1 24 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.674 -0.518 18083 1629 1 24 . 1 1 16 16 LEU C C 26 175.230 175.230 175.400 -0.170 18083 1630 1 24 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.436 0.319 18083 1631 1 24 . 1 1 16 16 LEU CB C 26 41.104 41.104 44.190 -3.086 18083 1632 1 24 . 1 1 16 16 LEU H H 26 7.940 7.940 8.686 -0.746 18083 1633 1 25 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.550 -0.209 18083 1634 1 25 . 1 1 4 4 PRO C C 14 176.264 176.264 176.467 -0.203 18083 1635 1 25 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.355 -0.152 18083 1636 1 25 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.595 -0.125 18083 1637 1 25 . 1 1 5 5 GLN N N 15 122.142 122.142 120.611 1.531 18083 1638 1 25 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.318 -0.053 18083 1639 1 25 . 1 1 5 5 GLN C C 15 177.279 177.279 176.575 0.704 18083 1640 1 25 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.899 0.048 18083 1641 1 25 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.651 -1.850 18083 1642 1 25 . 1 1 5 5 GLN H H 15 8.370 8.370 8.366 0.004 18083 1643 1 25 . 1 1 6 6 GLY N N 16 109.233 109.233 109.847 -0.614 18083 1644 1 25 . 1 1 6 6 GLY C C 16 172.944 172.944 174.095 -1.151 18083 1645 1 25 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.358 1.085 18083 1646 1 25 . 1 1 6 6 GLY H H 16 8.149 8.149 8.402 -0.253 18083 1647 1 25 . 1 1 7 7 ILE N N 17 116.996 116.996 121.619 -4.623 18083 1648 1 25 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.190 -0.283 18083 1649 1 25 . 1 1 7 7 ILE C C 17 175.595 175.595 175.883 -0.288 18083 1650 1 25 . 1 1 7 7 ILE CA C 17 61.777 61.777 60.682 1.095 18083 1651 1 25 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.302 0.772 18083 1652 1 25 . 1 1 7 7 ILE H H 17 8.196 8.196 8.094 0.102 18083 1653 1 25 . 1 1 8 8 ALA N N 18 125.626 125.626 130.729 -5.103 18083 1654 1 25 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.271 0.007 18083 1655 1 25 . 1 1 8 8 ALA C C 18 179.567 179.567 177.693 1.874 18083 1656 1 25 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.017 0.413 18083 1657 1 25 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.229 0.057 18083 1658 1 25 . 1 1 8 8 ALA H H 18 8.109 8.109 8.316 -0.207 18083 1659 1 25 . 1 1 9 9 GLY N N 19 105.179 105.179 109.315 -4.136 18083 1660 1 25 . 1 1 9 9 GLY C C 19 173.364 173.364 174.526 -1.162 18083 1661 1 25 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.666 0.087 18083 1662 1 25 . 1 1 9 9 GLY H H 19 8.265 8.265 8.156 0.109 18083 1663 1 25 . 1 1 10 10 GLN N N 20 119.272 119.272 119.960 -0.688 18083 1664 1 25 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.291 -0.239 18083 1665 1 25 . 1 1 10 10 GLN C C 20 175.541 175.541 176.778 -1.237 18083 1666 1 25 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.542 -0.050 18083 1667 1 25 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.366 0.921 18083 1668 1 25 . 1 1 10 10 GLN H H 20 8.213 8.213 8.160 0.053 18083 1669 1 25 . 1 1 11 11 ARG N N 21 123.788 123.788 124.794 -1.006 18083 1670 1 25 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.275 -0.066 18083 1671 1 25 . 1 1 11 11 ARG C C 21 177.313 177.313 176.771 0.542 18083 1672 1 25 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.105 0.836 18083 1673 1 25 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.978 -0.312 18083 1674 1 25 . 1 1 11 11 ARG H H 21 8.356 8.356 8.520 -0.164 18083 1675 1 25 . 1 1 12 12 GLY N N 22 109.946 109.946 113.262 -3.316 18083 1676 1 25 . 1 1 12 12 GLY C C 22 173.066 173.066 174.563 -1.497 18083 1677 1 25 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.560 0.830 18083 1678 1 25 . 1 1 12 12 GLY H H 22 8.304 8.304 8.366 -0.062 18083 1679 1 25 . 1 1 13 13 VAL N N 23 118.403 118.403 122.825 -4.422 18083 1680 1 25 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.896 -0.033 18083 1681 1 25 . 1 1 13 13 VAL C C 23 174.942 174.942 176.642 -1.700 18083 1682 1 25 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.882 0.352 18083 1683 1 25 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.968 -0.081 18083 1684 1 25 . 1 1 13 13 VAL H H 23 8.327 8.327 8.100 0.227 18083 1685 1 25 . 1 1 14 14 VAL N N 24 122.964 122.964 121.478 1.486 18083 1686 1 25 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.120 -0.256 18083 1687 1 25 . 1 1 14 14 VAL C C 24 175.484 175.484 175.848 -0.364 18083 1688 1 25 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.855 -0.311 18083 1689 1 25 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.210 0.001 18083 1690 1 25 . 1 1 14 14 VAL H H 24 7.500 7.500 8.110 -0.610 18083 1691 1 25 . 1 1 15 15 GLY N N 25 108.148 108.148 113.105 -4.957 18083 1692 1 25 . 1 1 15 15 GLY C C 25 172.638 172.638 173.195 -0.557 18083 1693 1 25 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.350 0.850 18083 1694 1 25 . 1 1 15 15 GLY H H 25 7.889 7.889 8.747 -0.858 18083 1695 1 25 . 1 1 16 16 LEU N N 26 117.641 117.641 120.889 -3.248 18083 1696 1 25 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.695 -0.539 18083 1697 1 25 . 1 1 16 16 LEU C C 26 175.230 175.230 175.399 -0.169 18083 1698 1 25 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.442 0.313 18083 1699 1 25 . 1 1 16 16 LEU CB C 26 41.104 41.104 44.306 -3.202 18083 1700 1 25 . 1 1 16 16 LEU H H 26 7.940 7.940 8.694 -0.754 18083 1701 1 26 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.532 -0.191 18083 1702 1 26 . 1 1 4 4 PRO C C 14 176.264 176.264 176.728 -0.464 18083 1703 1 26 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.100 0.103 18083 1704 1 26 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.424 0.046 18083 1705 1 26 . 1 1 5 5 GLN N N 15 122.142 122.142 120.458 1.684 18083 1706 1 26 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.229 0.036 18083 1707 1 26 . 1 1 5 5 GLN C C 15 177.279 177.279 176.427 0.852 18083 1708 1 26 . 1 1 5 5 GLN CA C 15 55.947 55.947 56.047 -0.100 18083 1709 1 26 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.462 -1.661 18083 1710 1 26 . 1 1 5 5 GLN H H 15 8.370 8.370 8.427 -0.057 18083 1711 1 26 . 1 1 6 6 GLY N N 16 109.233 109.233 110.631 -1.398 18083 1712 1 26 . 1 1 6 6 GLY C C 16 172.944 172.944 174.035 -1.091 18083 1713 1 26 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.306 1.138 18083 1714 1 26 . 1 1 6 6 GLY H H 16 8.149 8.149 8.400 -0.251 18083 1715 1 26 . 1 1 7 7 ILE N N 17 116.996 116.996 118.097 -1.101 18083 1716 1 26 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.465 -0.558 18083 1717 1 26 . 1 1 7 7 ILE C C 17 175.595 175.595 175.573 0.022 18083 1718 1 26 . 1 1 7 7 ILE CA C 17 61.777 61.777 60.673 1.104 18083 1719 1 26 . 1 1 7 7 ILE CB C 17 39.074 39.074 39.036 0.038 18083 1720 1 26 . 1 1 7 7 ILE H H 17 8.196 8.196 8.013 0.183 18083 1721 1 26 . 1 1 8 8 ALA N N 18 125.626 125.626 129.138 -3.512 18083 1722 1 26 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.439 -0.161 18083 1723 1 26 . 1 1 8 8 ALA C C 18 179.567 179.567 178.265 1.302 18083 1724 1 26 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.045 0.385 18083 1725 1 26 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.416 -0.130 18083 1726 1 26 . 1 1 8 8 ALA H H 18 8.109 8.109 8.218 -0.109 18083 1727 1 26 . 1 1 9 9 GLY N N 19 105.179 105.179 109.245 -4.066 18083 1728 1 26 . 1 1 9 9 GLY C C 19 173.364 173.364 174.549 -1.185 18083 1729 1 26 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.912 -0.159 18083 1730 1 26 . 1 1 9 9 GLY H H 19 8.265 8.265 8.459 -0.194 18083 1731 1 26 . 1 1 10 10 GLN N N 20 119.272 119.272 121.120 -1.848 18083 1732 1 26 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.219 -0.167 18083 1733 1 26 . 1 1 10 10 GLN C C 20 175.541 175.541 176.471 -0.930 18083 1734 1 26 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.882 -0.390 18083 1735 1 26 . 1 1 10 10 GLN CB C 20 30.287 30.287 28.792 1.495 18083 1736 1 26 . 1 1 10 10 GLN H H 20 8.213 8.213 8.261 -0.048 18083 1737 1 26 . 1 1 11 11 ARG N N 21 123.788 123.788 126.059 -2.271 18083 1738 1 26 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.275 -0.066 18083 1739 1 26 . 1 1 11 11 ARG C C 21 177.313 177.313 177.052 0.261 18083 1740 1 26 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.395 0.546 18083 1741 1 26 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.891 -0.225 18083 1742 1 26 . 1 1 11 11 ARG H H 21 8.356 8.356 8.401 -0.045 18083 1743 1 26 . 1 1 12 12 GLY N N 22 109.946 109.946 111.454 -1.508 18083 1744 1 26 . 1 1 12 12 GLY C C 22 173.066 173.066 173.956 -0.890 18083 1745 1 26 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.218 1.171 18083 1746 1 26 . 1 1 12 12 GLY H H 22 8.304 8.304 8.436 -0.132 18083 1747 1 26 . 1 1 13 13 VAL N N 23 118.403 118.403 119.476 -1.073 18083 1748 1 26 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.137 -0.274 18083 1749 1 26 . 1 1 13 13 VAL C C 23 174.942 174.942 176.561 -1.619 18083 1750 1 26 . 1 1 13 13 VAL CA C 23 62.234 62.234 62.221 0.013 18083 1751 1 26 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.138 0.749 18083 1752 1 26 . 1 1 13 13 VAL H H 23 8.327 8.327 8.068 0.259 18083 1753 1 26 . 1 1 14 14 VAL N N 24 122.964 122.964 123.410 -0.446 18083 1754 1 26 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.053 -0.189 18083 1755 1 26 . 1 1 14 14 VAL C C 24 175.484 175.484 176.799 -1.315 18083 1756 1 26 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.664 -0.120 18083 1757 1 26 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.141 0.070 18083 1758 1 26 . 1 1 14 14 VAL H H 24 7.500 7.500 8.024 -0.524 18083 1759 1 26 . 1 1 15 15 GLY N N 25 108.148 108.148 113.615 -5.467 18083 1760 1 26 . 1 1 15 15 GLY C C 25 172.638 172.638 173.228 -0.590 18083 1761 1 26 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.419 0.781 18083 1762 1 26 . 1 1 15 15 GLY H H 25 7.889 7.889 8.778 -0.889 18083 1763 1 26 . 1 1 16 16 LEU N N 26 117.641 117.641 120.422 -2.781 18083 1764 1 26 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.678 -0.522 18083 1765 1 26 . 1 1 16 16 LEU C C 26 175.230 175.230 175.314 -0.084 18083 1766 1 26 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.443 0.312 18083 1767 1 26 . 1 1 16 16 LEU CB C 26 41.104 41.104 44.334 -3.230 18083 1768 1 26 . 1 1 16 16 LEU H H 26 7.940 7.940 8.694 -0.754 18083 1769 1 27 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.585 -0.244 18083 1770 1 27 . 1 1 4 4 PRO C C 14 176.264 176.264 176.435 -0.171 18083 1771 1 27 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.299 -0.096 18083 1772 1 27 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.400 0.070 18083 1773 1 27 . 1 1 5 5 GLN N N 15 122.142 122.142 120.334 1.808 18083 1774 1 27 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.325 -0.060 18083 1775 1 27 . 1 1 5 5 GLN C C 15 177.279 177.279 176.371 0.908 18083 1776 1 27 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.645 0.302 18083 1777 1 27 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.028 -1.227 18083 1778 1 27 . 1 1 5 5 GLN H H 15 8.370 8.370 8.234 0.136 18083 1779 1 27 . 1 1 6 6 GLY N N 16 109.233 109.233 108.055 1.178 18083 1780 1 27 . 1 1 6 6 GLY C C 16 172.944 172.944 174.354 -1.410 18083 1781 1 27 . 1 1 6 6 GLY CA C 16 45.444 45.444 43.963 1.481 18083 1782 1 27 . 1 1 6 6 GLY H H 16 8.149 8.149 8.408 -0.259 18083 1783 1 27 . 1 1 7 7 ILE N N 17 116.996 116.996 121.710 -4.714 18083 1784 1 27 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.003 -0.096 18083 1785 1 27 . 1 1 7 7 ILE C C 17 175.595 175.595 176.101 -0.506 18083 1786 1 27 . 1 1 7 7 ILE CA C 17 61.777 61.777 61.089 0.688 18083 1787 1 27 . 1 1 7 7 ILE CB C 17 39.074 39.074 37.758 1.315 18083 1788 1 27 . 1 1 7 7 ILE H H 17 8.196 8.196 8.126 0.070 18083 1789 1 27 . 1 1 8 8 ALA N N 18 125.626 125.626 131.218 -5.592 18083 1790 1 27 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.295 -0.017 18083 1791 1 27 . 1 1 8 8 ALA C C 18 179.567 179.567 178.097 1.470 18083 1792 1 27 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.337 0.093 18083 1793 1 27 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.416 -0.130 18083 1794 1 27 . 1 1 8 8 ALA H H 18 8.109 8.109 8.331 -0.222 18083 1795 1 27 . 1 1 9 9 GLY N N 19 105.179 105.179 108.879 -3.700 18083 1796 1 27 . 1 1 9 9 GLY C C 19 173.364 173.364 174.704 -1.340 18083 1797 1 27 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.620 0.133 18083 1798 1 27 . 1 1 9 9 GLY H H 19 8.265 8.265 8.400 -0.135 18083 1799 1 27 . 1 1 10 10 GLN N N 20 119.272 119.272 120.536 -1.264 18083 1800 1 27 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.304 -0.252 18083 1801 1 27 . 1 1 10 10 GLN C C 20 175.541 175.541 176.967 -1.426 18083 1802 1 27 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.414 0.078 18083 1803 1 27 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.257 1.030 18083 1804 1 27 . 1 1 10 10 GLN H H 20 8.213 8.213 8.264 -0.051 18083 1805 1 27 . 1 1 11 11 ARG N N 21 123.788 123.788 124.136 -0.348 18083 1806 1 27 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.152 0.057 18083 1807 1 27 . 1 1 11 11 ARG C C 21 177.313 177.313 177.065 0.248 18083 1808 1 27 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.352 0.589 18083 1809 1 27 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.817 -0.151 18083 1810 1 27 . 1 1 11 11 ARG H H 21 8.356 8.356 8.469 -0.113 18083 1811 1 27 . 1 1 12 12 GLY N N 22 109.946 109.946 112.230 -2.284 18083 1812 1 27 . 1 1 12 12 GLY C C 22 173.066 173.066 174.240 -1.174 18083 1813 1 27 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.284 1.106 18083 1814 1 27 . 1 1 12 12 GLY H H 22 8.304 8.304 8.185 0.119 18083 1815 1 27 . 1 1 13 13 VAL N N 23 118.403 118.403 120.404 -2.001 18083 1816 1 27 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.041 -0.178 18083 1817 1 27 . 1 1 13 13 VAL C C 23 174.942 174.942 176.998 -2.056 18083 1818 1 27 . 1 1 13 13 VAL CA C 23 62.234 62.234 62.095 0.139 18083 1819 1 27 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.199 0.688 18083 1820 1 27 . 1 1 13 13 VAL H H 23 8.327 8.327 8.078 0.249 18083 1821 1 27 . 1 1 14 14 VAL N N 24 122.964 122.964 123.474 -0.510 18083 1822 1 27 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.001 -0.137 18083 1823 1 27 . 1 1 14 14 VAL C C 24 175.484 175.484 176.580 -1.096 18083 1824 1 27 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.998 -0.454 18083 1825 1 27 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.285 -0.074 18083 1826 1 27 . 1 1 14 14 VAL H H 24 7.500 7.500 7.855 -0.355 18083 1827 1 27 . 1 1 15 15 GLY N N 25 108.148 108.148 112.976 -4.828 18083 1828 1 27 . 1 1 15 15 GLY C C 25 172.638 172.638 173.353 -0.715 18083 1829 1 27 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.563 0.637 18083 1830 1 27 . 1 1 15 15 GLY H H 25 7.889 7.889 8.755 -0.866 18083 1831 1 27 . 1 1 16 16 LEU N N 26 117.641 117.641 120.435 -2.794 18083 1832 1 27 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.681 -0.525 18083 1833 1 27 . 1 1 16 16 LEU C C 26 175.230 175.230 175.298 -0.068 18083 1834 1 27 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.486 0.269 18083 1835 1 27 . 1 1 16 16 LEU CB C 26 41.104 41.104 44.266 -3.162 18083 1836 1 27 . 1 1 16 16 LEU H H 26 7.940 7.940 8.678 -0.738 18083 1837 1 28 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.526 -0.185 18083 1838 1 28 . 1 1 4 4 PRO C C 14 176.264 176.264 176.641 -0.377 18083 1839 1 28 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.411 -0.208 18083 1840 1 28 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.274 0.196 18083 1841 1 28 . 1 1 5 5 GLN N N 15 122.142 122.142 120.883 1.259 18083 1842 1 28 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.240 0.025 18083 1843 1 28 . 1 1 5 5 GLN C C 15 177.279 177.279 176.439 0.840 18083 1844 1 28 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.656 0.291 18083 1845 1 28 . 1 1 5 5 GLN CB C 15 27.801 27.801 28.903 -1.102 18083 1846 1 28 . 1 1 5 5 GLN H H 15 8.370 8.370 8.297 0.073 18083 1847 1 28 . 1 1 6 6 GLY N N 16 109.233 109.233 107.182 2.051 18083 1848 1 28 . 1 1 6 6 GLY C C 16 172.944 172.944 174.205 -1.261 18083 1849 1 28 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.309 1.135 18083 1850 1 28 . 1 1 6 6 GLY H H 16 8.149 8.149 8.232 -0.083 18083 1851 1 28 . 1 1 7 7 ILE N N 17 116.996 116.996 120.377 -3.381 18083 1852 1 28 . 1 1 7 7 ILE HA H 17 3.907 3.907 3.980 -0.073 18083 1853 1 28 . 1 1 7 7 ILE C C 17 175.595 175.595 176.563 -0.968 18083 1854 1 28 . 1 1 7 7 ILE CA C 17 61.777 61.777 60.989 0.788 18083 1855 1 28 . 1 1 7 7 ILE CB C 17 39.074 39.074 38.365 0.709 18083 1856 1 28 . 1 1 7 7 ILE H H 17 8.196 8.196 8.022 0.174 18083 1857 1 28 . 1 1 8 8 ALA N N 18 125.626 125.626 130.029 -4.403 18083 1858 1 28 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.224 0.054 18083 1859 1 28 . 1 1 8 8 ALA C C 18 179.567 179.567 178.106 1.461 18083 1860 1 28 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.048 0.382 18083 1861 1 28 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.249 0.037 18083 1862 1 28 . 1 1 8 8 ALA H H 18 8.109 8.109 8.179 -0.070 18083 1863 1 28 . 1 1 9 9 GLY N N 19 105.179 105.179 109.249 -4.070 18083 1864 1 28 . 1 1 9 9 GLY C C 19 173.364 173.364 174.352 -0.988 18083 1865 1 28 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.358 0.395 18083 1866 1 28 . 1 1 9 9 GLY H H 19 8.265 8.265 8.195 0.070 18083 1867 1 28 . 1 1 10 10 GLN N N 20 119.272 119.272 119.645 -0.373 18083 1868 1 28 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.169 -0.117 18083 1869 1 28 . 1 1 10 10 GLN C C 20 175.541 175.541 176.225 -0.684 18083 1870 1 28 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.749 -0.257 18083 1871 1 28 . 1 1 10 10 GLN CB C 20 30.287 30.287 27.341 2.946 18083 1872 1 28 . 1 1 10 10 GLN H H 20 8.213 8.213 8.472 -0.259 18083 1873 1 28 . 1 1 11 11 ARG N N 21 123.788 123.788 125.164 -1.376 18083 1874 1 28 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.240 -0.031 18083 1875 1 28 . 1 1 11 11 ARG C C 21 177.313 177.313 176.847 0.466 18083 1876 1 28 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.113 0.828 18083 1877 1 28 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.904 -0.238 18083 1878 1 28 . 1 1 11 11 ARG H H 21 8.356 8.356 8.186 0.170 18083 1879 1 28 . 1 1 12 12 GLY N N 22 109.946 109.946 113.211 -3.265 18083 1880 1 28 . 1 1 12 12 GLY C C 22 173.066 173.066 174.256 -1.190 18083 1881 1 28 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.263 1.127 18083 1882 1 28 . 1 1 12 12 GLY H H 22 8.304 8.304 8.264 0.040 18083 1883 1 28 . 1 1 13 13 VAL N N 23 118.403 118.403 119.333 -0.930 18083 1884 1 28 . 1 1 13 13 VAL HA H 23 3.863 3.863 4.103 -0.240 18083 1885 1 28 . 1 1 13 13 VAL C C 23 174.942 174.942 176.372 -1.430 18083 1886 1 28 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.152 1.082 18083 1887 1 28 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.815 0.072 18083 1888 1 28 . 1 1 13 13 VAL H H 23 8.327 8.327 7.938 0.389 18083 1889 1 28 . 1 1 14 14 VAL N N 24 122.964 122.964 119.983 2.981 18083 1890 1 28 . 1 1 14 14 VAL HA H 24 3.864 3.864 4.143 -0.279 18083 1891 1 28 . 1 1 14 14 VAL C C 24 175.484 175.484 175.912 -0.428 18083 1892 1 28 . 1 1 14 14 VAL CA C 24 62.544 62.544 62.608 -0.064 18083 1893 1 28 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.160 0.051 18083 1894 1 28 . 1 1 14 14 VAL H H 24 7.500 7.500 8.100 -0.600 18083 1895 1 28 . 1 1 15 15 GLY N N 25 108.148 108.148 110.466 -2.318 18083 1896 1 28 . 1 1 15 15 GLY C C 25 172.638 172.638 173.252 -0.614 18083 1897 1 28 . 1 1 15 15 GLY CA C 25 45.200 45.200 45.013 0.187 18083 1898 1 28 . 1 1 15 15 GLY H H 25 7.889 7.889 8.582 -0.693 18083 1899 1 28 . 1 1 16 16 LEU N N 26 117.641 117.641 123.029 -5.388 18083 1900 1 28 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.680 -0.524 18083 1901 1 28 . 1 1 16 16 LEU C C 26 175.230 175.230 175.428 -0.198 18083 1902 1 28 . 1 1 16 16 LEU CA C 26 53.755 53.755 52.612 1.143 18083 1903 1 28 . 1 1 16 16 LEU CB C 26 41.104 41.104 43.300 -2.196 18083 1904 1 28 . 1 1 16 16 LEU H H 26 7.940 7.940 8.166 -0.226 18083 1905 1 29 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.541 -0.200 18083 1906 1 29 . 1 1 4 4 PRO C C 14 176.264 176.264 176.599 -0.335 18083 1907 1 29 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.151 0.052 18083 1908 1 29 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.334 0.136 18083 1909 1 29 . 1 1 5 5 GLN N N 15 122.142 122.142 120.351 1.791 18083 1910 1 29 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.240 0.025 18083 1911 1 29 . 1 1 5 5 GLN C C 15 177.279 177.279 176.243 1.036 18083 1912 1 29 . 1 1 5 5 GLN CA C 15 55.947 55.947 56.108 -0.162 18083 1913 1 29 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.445 -1.644 18083 1914 1 29 . 1 1 5 5 GLN H H 15 8.370 8.370 8.412 -0.042 18083 1915 1 29 . 1 1 6 6 GLY N N 16 109.233 109.233 110.829 -1.596 18083 1916 1 29 . 1 1 6 6 GLY C C 16 172.944 172.944 174.021 -1.077 18083 1917 1 29 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.341 1.103 18083 1918 1 29 . 1 1 6 6 GLY H H 16 8.149 8.149 8.411 -0.262 18083 1919 1 29 . 1 1 7 7 ILE N N 17 116.996 116.996 118.254 -1.258 18083 1920 1 29 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.503 -0.596 18083 1921 1 29 . 1 1 7 7 ILE C C 17 175.595 175.595 175.604 -0.009 18083 1922 1 29 . 1 1 7 7 ILE CA C 17 61.777 61.777 60.590 1.187 18083 1923 1 29 . 1 1 7 7 ILE CB C 17 39.074 39.074 39.444 -0.370 18083 1924 1 29 . 1 1 7 7 ILE H H 17 8.196 8.196 7.981 0.215 18083 1925 1 29 . 1 1 8 8 ALA N N 18 125.626 125.626 128.360 -2.734 18083 1926 1 29 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.393 -0.115 18083 1927 1 29 . 1 1 8 8 ALA C C 18 179.567 179.567 178.251 1.316 18083 1928 1 29 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.238 0.192 18083 1929 1 29 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.285 0.000 18083 1930 1 29 . 1 1 8 8 ALA H H 18 8.109 8.109 8.239 -0.130 18083 1931 1 29 . 1 1 9 9 GLY N N 19 105.179 105.179 109.199 -4.020 18083 1932 1 29 . 1 1 9 9 GLY C C 19 173.364 173.364 174.431 -1.067 18083 1933 1 29 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.763 -0.010 18083 1934 1 29 . 1 1 9 9 GLY H H 19 8.265 8.265 8.435 -0.170 18083 1935 1 29 . 1 1 10 10 GLN N N 20 119.272 119.272 119.832 -0.560 18083 1936 1 29 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.295 -0.243 18083 1937 1 29 . 1 1 10 10 GLN C C 20 175.541 175.541 176.789 -1.248 18083 1938 1 29 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.727 -0.235 18083 1939 1 29 . 1 1 10 10 GLN CB C 20 30.287 30.287 29.340 0.947 18083 1940 1 29 . 1 1 10 10 GLN H H 20 8.213 8.213 8.271 -0.058 18083 1941 1 29 . 1 1 11 11 ARG N N 21 123.788 123.788 121.648 2.140 18083 1942 1 29 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.347 -0.138 18083 1943 1 29 . 1 1 11 11 ARG C C 21 177.313 177.313 176.666 0.647 18083 1944 1 29 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.427 0.514 18083 1945 1 29 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.538 0.128 18083 1946 1 29 . 1 1 11 11 ARG H H 21 8.356 8.356 8.384 -0.028 18083 1947 1 29 . 1 1 12 12 GLY N N 22 109.946 109.946 109.802 0.144 18083 1948 1 29 . 1 1 12 12 GLY C C 22 173.066 173.066 174.311 -1.245 18083 1949 1 29 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.380 1.010 18083 1950 1 29 . 1 1 12 12 GLY H H 22 8.304 8.304 8.278 0.026 18083 1951 1 29 . 1 1 13 13 VAL N N 23 118.403 118.403 119.967 -1.564 18083 1952 1 29 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.934 -0.072 18083 1953 1 29 . 1 1 13 13 VAL C C 23 174.942 174.942 176.427 -1.485 18083 1954 1 29 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.855 0.379 18083 1955 1 29 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.552 0.335 18083 1956 1 29 . 1 1 13 13 VAL H H 23 8.327 8.327 7.989 0.338 18083 1957 1 29 . 1 1 14 14 VAL N N 24 122.964 122.964 124.376 -1.412 18083 1958 1 29 . 1 1 14 14 VAL HA H 24 3.864 3.864 3.978 -0.114 18083 1959 1 29 . 1 1 14 14 VAL C C 24 175.484 175.484 176.771 -1.287 18083 1960 1 29 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.319 -0.775 18083 1961 1 29 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.273 -0.062 18083 1962 1 29 . 1 1 14 14 VAL H H 24 7.500 7.500 8.303 -0.803 18083 1963 1 29 . 1 1 15 15 GLY N N 25 108.148 108.148 115.623 -7.475 18083 1964 1 29 . 1 1 15 15 GLY C C 25 172.638 172.638 173.269 -0.631 18083 1965 1 29 . 1 1 15 15 GLY CA C 25 45.200 45.200 44.746 0.454 18083 1966 1 29 . 1 1 15 15 GLY H H 25 7.889 7.889 8.282 -0.393 18083 1967 1 29 . 1 1 16 16 LEU N N 26 117.641 117.641 122.240 -4.599 18083 1968 1 29 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.762 -0.606 18083 1969 1 29 . 1 1 16 16 LEU C C 26 175.230 175.230 175.697 -0.467 18083 1970 1 29 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.189 0.566 18083 1971 1 29 . 1 1 16 16 LEU CB C 26 41.104 41.104 43.830 -2.726 18083 1972 1 29 . 1 1 16 16 LEU H H 26 7.940 7.940 8.686 -0.746 18083 1973 1 30 . 1 1 4 4 PRO HA H 14 4.341 4.341 4.524 -0.183 18083 1974 1 30 . 1 1 4 4 PRO C C 14 176.264 176.264 176.564 -0.300 18083 1975 1 30 . 1 1 4 4 PRO CA C 14 62.203 62.203 62.217 -0.014 18083 1976 1 30 . 1 1 4 4 PRO CB C 14 32.470 32.470 32.401 0.069 18083 1977 1 30 . 1 1 5 5 GLN N N 15 122.142 122.142 120.614 1.528 18083 1978 1 30 . 1 1 5 5 GLN HA H 15 4.265 4.265 4.244 0.021 18083 1979 1 30 . 1 1 5 5 GLN C C 15 177.279 177.279 176.793 0.486 18083 1980 1 30 . 1 1 5 5 GLN CA C 15 55.947 55.947 55.926 0.021 18083 1981 1 30 . 1 1 5 5 GLN CB C 15 27.801 27.801 29.582 -1.782 18083 1982 1 30 . 1 1 5 5 GLN H H 15 8.370 8.370 8.387 -0.017 18083 1983 1 30 . 1 1 6 6 GLY N N 16 109.233 109.233 111.706 -2.473 18083 1984 1 30 . 1 1 6 6 GLY C C 16 172.944 172.944 174.181 -1.237 18083 1985 1 30 . 1 1 6 6 GLY CA C 16 45.444 45.444 44.701 0.743 18083 1986 1 30 . 1 1 6 6 GLY H H 16 8.149 8.149 8.444 -0.295 18083 1987 1 30 . 1 1 7 7 ILE N N 17 116.996 116.996 120.894 -3.898 18083 1988 1 30 . 1 1 7 7 ILE HA H 17 3.907 3.907 4.308 -0.401 18083 1989 1 30 . 1 1 7 7 ILE C C 17 175.595 175.595 175.345 0.250 18083 1990 1 30 . 1 1 7 7 ILE CA C 17 61.777 61.777 60.522 1.255 18083 1991 1 30 . 1 1 7 7 ILE CB C 17 39.074 39.074 39.880 -0.806 18083 1992 1 30 . 1 1 7 7 ILE H H 17 8.196 8.196 7.992 0.204 18083 1993 1 30 . 1 1 8 8 ALA N N 18 125.626 125.626 129.845 -4.219 18083 1994 1 30 . 1 1 8 8 ALA HA H 18 4.278 4.278 4.393 -0.115 18083 1995 1 30 . 1 1 8 8 ALA C C 18 179.567 179.567 178.240 1.327 18083 1996 1 30 . 1 1 8 8 ALA CA C 18 52.430 52.430 52.289 0.141 18083 1997 1 30 . 1 1 8 8 ALA CB C 18 19.286 19.286 19.375 -0.089 18083 1998 1 30 . 1 1 8 8 ALA H H 18 8.109 8.109 8.286 -0.177 18083 1999 1 30 . 1 1 9 9 GLY N N 19 105.179 105.179 108.455 -3.276 18083 2000 1 30 . 1 1 9 9 GLY C C 19 173.364 173.364 174.320 -0.956 18083 2001 1 30 . 1 1 9 9 GLY CA C 19 44.753 44.753 44.569 0.184 18083 2002 1 30 . 1 1 9 9 GLY H H 19 8.265 8.265 8.362 -0.097 18083 2003 1 30 . 1 1 10 10 GLN N N 20 119.272 119.272 119.215 0.057 18083 2004 1 30 . 1 1 10 10 GLN HA H 20 4.052 4.052 4.252 -0.200 18083 2005 1 30 . 1 1 10 10 GLN C C 20 175.541 175.541 176.576 -1.035 18083 2006 1 30 . 1 1 10 10 GLN CA C 20 55.492 55.492 55.816 -0.325 18083 2007 1 30 . 1 1 10 10 GLN CB C 20 30.287 30.287 28.839 1.448 18083 2008 1 30 . 1 1 10 10 GLN H H 20 8.213 8.213 8.312 -0.099 18083 2009 1 30 . 1 1 11 11 ARG N N 21 123.788 123.788 125.214 -1.426 18083 2010 1 30 . 1 1 11 11 ARG HA H 21 4.209 4.209 4.227 -0.018 18083 2011 1 30 . 1 1 11 11 ARG C C 21 177.313 177.313 176.861 0.452 18083 2012 1 30 . 1 1 11 11 ARG CA C 21 56.941 56.941 56.425 0.516 18083 2013 1 30 . 1 1 11 11 ARG CB C 21 30.666 30.666 30.775 -0.109 18083 2014 1 30 . 1 1 11 11 ARG H H 21 8.356 8.356 8.553 -0.197 18083 2015 1 30 . 1 1 12 12 GLY N N 22 109.946 109.946 112.262 -2.316 18083 2016 1 30 . 1 1 12 12 GLY C C 22 173.066 173.066 174.454 -1.388 18083 2017 1 30 . 1 1 12 12 GLY CA C 22 45.390 45.390 44.272 1.118 18083 2018 1 30 . 1 1 12 12 GLY H H 22 8.304 8.304 8.386 -0.082 18083 2019 1 30 . 1 1 13 13 VAL N N 23 118.403 118.403 121.055 -2.652 18083 2020 1 30 . 1 1 13 13 VAL HA H 23 3.863 3.863 3.969 -0.106 18083 2021 1 30 . 1 1 13 13 VAL C C 23 174.942 174.942 176.938 -1.996 18083 2022 1 30 . 1 1 13 13 VAL CA C 23 62.234 62.234 61.926 0.308 18083 2023 1 30 . 1 1 13 13 VAL CB C 23 32.887 32.887 32.212 0.675 18083 2024 1 30 . 1 1 13 13 VAL H H 23 8.327 8.327 8.012 0.315 18083 2025 1 30 . 1 1 14 14 VAL N N 24 122.964 122.964 126.350 -3.386 18083 2026 1 30 . 1 1 14 14 VAL HA H 24 3.864 3.864 3.923 -0.059 18083 2027 1 30 . 1 1 14 14 VAL C C 24 175.484 175.484 176.871 -1.387 18083 2028 1 30 . 1 1 14 14 VAL CA C 24 62.544 62.544 63.651 -1.107 18083 2029 1 30 . 1 1 14 14 VAL CB C 24 32.211 32.211 32.857 -0.646 18083 2030 1 30 . 1 1 14 14 VAL H H 24 7.500 7.500 8.223 -0.723 18083 2031 1 30 . 1 1 15 15 GLY N N 25 108.148 108.148 114.725 -6.577 18083 2032 1 30 . 1 1 15 15 GLY C C 25 172.638 172.638 173.393 -0.755 18083 2033 1 30 . 1 1 15 15 GLY CA C 25 45.200 45.200 45.078 0.122 18083 2034 1 30 . 1 1 15 15 GLY H H 25 7.889 7.889 8.431 -0.542 18083 2035 1 30 . 1 1 16 16 LEU N N 26 117.641 117.641 120.433 -2.792 18083 2036 1 30 . 1 1 16 16 LEU HA H 26 4.156 4.156 4.701 -0.545 18083 2037 1 30 . 1 1 16 16 LEU C C 26 175.230 175.230 175.439 -0.209 18083 2038 1 30 . 1 1 16 16 LEU CA C 26 53.755 53.755 53.403 0.352 18083 2039 1 30 . 1 1 16 16 LEU CB C 26 41.104 41.104 44.192 -3.088 18083 2040 1 30 . 1 1 16 16 LEU H H 26 7.940 7.940 8.675 -0.735 18083 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 36 2.865 1.235 2.621 18083 2 1 1 "Average Difference" HA 27 0.264 0.219 0.150 18083 3 1 1 "Average Difference" C 39 1.056 0.500 0.942 18083 4 1 1 "Average Difference" CA 39 0.635 -0.332 0.548 18083 5 1 1 "Average Difference" CB 27 0.592 0.024 0.603 18083 6 1 1 "Average Difference" HN 36 0.300 0.131 0.274 18083 7 1 2 "Average Difference" N 36 2.317 1.096 2.070 18083 8 1 2 "Average Difference" HA 27 0.297 0.228 0.194 18083 9 1 2 "Average Difference" C 39 1.123 0.544 0.995 18083 10 1 2 "Average Difference" CA 39 0.607 -0.339 0.511 18083 11 1 2 "Average Difference" CB 27 0.928 0.101 0.940 18083 12 1 2 "Average Difference" HN 36 0.253 0.099 0.236 18083 13 1 3 "Average Difference" N 36 2.444 1.392 2.037 18083 14 1 3 "Average Difference" HA 27 0.258 0.200 0.166 18083 15 1 3 "Average Difference" C 39 1.123 0.486 1.026 18083 16 1 3 "Average Difference" CA 39 0.640 -0.426 0.485 18083 17 1 3 "Average Difference" CB 27 1.007 0.119 1.019 18083 18 1 3 "Average Difference" HN 36 0.358 0.178 0.315 18083 19 1 4 "Average Difference" N 36 2.870 1.692 2.351 18083 20 1 4 "Average Difference" HA 27 0.299 0.230 0.195 18083 21 1 4 "Average Difference" C 39 1.190 0.560 1.063 18083 22 1 4 "Average Difference" CA 39 0.596 -0.286 0.530 18083 23 1 4 "Average Difference" CB 27 0.959 0.087 0.973 18083 24 1 4 "Average Difference" HN 36 0.263 0.134 0.230 18083 25 1 5 "Average Difference" N 36 3.436 2.208 2.670 18083 26 1 5 "Average Difference" HA 27 0.221 0.139 0.175 18083 27 1 5 "Average Difference" C 39 1.001 0.533 0.859 18083 28 1 5 "Average Difference" CA 39 0.622 -0.322 0.539 18083 29 1 5 "Average Difference" CB 27 1.273 0.055 1.296 18083 30 1 5 "Average Difference" HN 36 0.275 0.151 0.233 18083 31 1 6 "Average Difference" N 36 3.217 1.882 2.646 18083 32 1 6 "Average Difference" HA 27 0.226 0.136 0.184 18083 33 1 6 "Average Difference" C 39 1.008 0.397 0.938 18083 34 1 6 "Average Difference" CA 39 0.685 -0.467 0.508 18083 35 1 6 "Average Difference" CB 27 1.081 -0.033 1.101 18083 36 1 6 "Average Difference" HN 36 0.366 0.158 0.335 18083 37 1 7 "Average Difference" N 36 2.989 1.549 2.592 18083 38 1 7 "Average Difference" HA 27 0.345 0.281 0.204 18083 39 1 7 "Average Difference" C 39 1.072 0.372 1.019 18083 40 1 7 "Average Difference" CA 39 0.752 -0.533 0.538 18083 41 1 7 "Average Difference" CB 27 0.987 -0.197 0.985 18083 42 1 7 "Average Difference" HN 36 0.396 0.144 0.374 18083 43 1 8 "Average Difference" N 36 3.441 2.115 2.754 18083 44 1 8 "Average Difference" HA 27 0.217 0.113 0.189 18083 45 1 8 "Average Difference" C 39 1.058 0.551 0.915 18083 46 1 8 "Average Difference" CA 39 0.582 -0.337 0.481 18083 47 1 8 "Average Difference" CB 27 0.883 -0.237 0.867 18083 48 1 8 "Average Difference" HN 36 0.327 0.169 0.284 18083 49 1 9 "Average Difference" N 36 3.192 1.673 2.757 18083 50 1 9 "Average Difference" HA 27 0.311 0.217 0.227 18083 51 1 9 "Average Difference" C 39 1.054 0.474 0.954 18083 52 1 9 "Average Difference" CA 39 0.694 -0.339 0.613 18083 53 1 9 "Average Difference" CB 27 1.225 0.194 1.233 18083 54 1 9 "Average Difference" HN 36 0.319 0.135 0.294 18083 55 1 10 "Average Difference" N 36 3.016 2.098 2.198 18083 56 1 10 "Average Difference" HA 27 0.174 0.116 0.132 18083 57 1 10 "Average Difference" C 39 1.003 0.344 0.955 18083 58 1 10 "Average Difference" CA 39 0.700 -0.448 0.545 18083 59 1 10 "Average Difference" CB 27 1.582 0.307 1.581 18083 60 1 10 "Average Difference" HN 36 0.340 0.143 0.313 18083 61 1 11 "Average Difference" N 36 3.176 2.079 2.435 18083 62 1 11 "Average Difference" HA 27 0.315 0.203 0.245 18083 63 1 11 "Average Difference" C 39 1.134 0.527 1.017 18083 64 1 11 "Average Difference" CA 39 0.726 -0.273 0.682 18083 65 1 11 "Average Difference" CB 27 1.073 0.013 1.094 18083 66 1 11 "Average Difference" HN 36 0.275 0.128 0.246 18083 67 1 12 "Average Difference" N 36 3.335 2.026 2.687 18083 68 1 12 "Average Difference" HA 27 0.252 0.185 0.174 18083 69 1 12 "Average Difference" C 39 1.084 0.581 0.927 18083 70 1 12 "Average Difference" CA 39 0.574 -0.293 0.500 18083 71 1 12 "Average Difference" CB 27 0.868 -0.028 0.885 18083 72 1 12 "Average Difference" HN 36 0.219 0.081 0.207 18083 73 1 13 "Average Difference" N 36 3.153 1.367 2.882 18083 74 1 13 "Average Difference" HA 27 0.221 0.168 0.147 18083 75 1 13 "Average Difference" C 39 1.045 0.473 0.944 18083 76 1 13 "Average Difference" CA 39 0.671 -0.412 0.536 18083 77 1 13 "Average Difference" CB 27 1.188 0.157 1.200 18083 78 1 13 "Average Difference" HN 36 0.310 0.150 0.275 18083 79 1 14 "Average Difference" N 36 3.425 2.139 2.713 18083 80 1 14 "Average Difference" HA 27 0.358 0.241 0.270 18083 81 1 14 "Average Difference" C 39 0.992 0.414 0.913 18083 82 1 14 "Average Difference" CA 39 0.734 -0.385 0.633 18083 83 1 14 "Average Difference" CB 27 0.833 -0.272 0.803 18083 84 1 14 "Average Difference" HN 36 0.289 0.119 0.267 18083 85 1 15 "Average Difference" N 36 3.406 1.402 3.148 18083 86 1 15 "Average Difference" HA 27 0.299 0.236 0.187 18083 87 1 15 "Average Difference" C 39 0.834 0.116 0.836 18083 88 1 15 "Average Difference" CA 39 0.764 -0.474 0.607 18083 89 1 15 "Average Difference" CB 27 1.457 0.039 1.484 18083 90 1 15 "Average Difference" HN 36 0.501 0.192 0.469 18083 91 1 16 "Average Difference" N 36 3.779 2.578 2.803 18083 92 1 16 "Average Difference" HA 27 0.207 0.131 0.164 18083 93 1 16 "Average Difference" C 39 1.176 0.742 0.924 18083 94 1 16 "Average Difference" CA 39 0.601 -0.222 0.566 18083 95 1 16 "Average Difference" CB 27 0.884 -0.117 0.893 18083 96 1 16 "Average Difference" HN 36 0.365 0.149 0.338 18083 97 1 17 "Average Difference" N 36 3.116 2.002 2.422 18083 98 1 17 "Average Difference" HA 27 0.251 0.183 0.174 18083 99 1 17 "Average Difference" C 39 1.216 0.578 1.084 18083 100 1 17 "Average Difference" CA 39 0.634 -0.421 0.480 18083 101 1 17 "Average Difference" CB 27 0.655 -0.154 0.649 18083 102 1 17 "Average Difference" HN 36 0.273 0.087 0.262 18083 103 1 18 "Average Difference" N 36 3.430 2.476 2.407 18083 104 1 18 "Average Difference" HA 27 0.264 0.211 0.162 18083 105 1 18 "Average Difference" C 39 1.030 0.260 1.009 18083 106 1 18 "Average Difference" CA 39 0.735 -0.426 0.607 18083 107 1 18 "Average Difference" CB 27 1.269 0.255 1.266 18083 108 1 18 "Average Difference" HN 36 0.407 0.116 0.396 18083 109 1 19 "Average Difference" N 36 2.622 1.406 2.244 18083 110 1 19 "Average Difference" HA 27 0.233 0.181 0.149 18083 111 1 19 "Average Difference" C 39 1.136 0.566 0.998 18083 112 1 19 "Average Difference" CA 39 0.642 -0.440 0.474 18083 113 1 19 "Average Difference" CB 27 0.702 -0.189 0.688 18083 114 1 19 "Average Difference" HN 36 0.236 0.076 0.227 18083 115 1 20 "Average Difference" N 36 3.313 1.511 2.990 18083 116 1 20 "Average Difference" HA 27 0.310 0.246 0.193 18083 117 1 20 "Average Difference" C 39 0.979 -0.066 0.990 18083 118 1 20 "Average Difference" CA 39 0.659 -0.449 0.489 18083 119 1 20 "Average Difference" CB 27 1.175 0.026 1.197 18083 120 1 20 "Average Difference" HN 36 0.448 0.202 0.405 18083 121 1 21 "Average Difference" N 36 3.009 1.871 2.390 18083 122 1 21 "Average Difference" HA 27 0.236 0.173 0.164 18083 123 1 21 "Average Difference" C 39 1.067 0.477 0.967 18083 124 1 21 "Average Difference" CA 39 0.600 -0.360 0.486 18083 125 1 21 "Average Difference" CB 27 0.834 0.035 0.849 18083 126 1 21 "Average Difference" HN 36 0.339 0.130 0.317 18083 127 1 22 "Average Difference" N 36 2.698 1.319 2.387 18083 128 1 22 "Average Difference" HA 27 0.408 0.366 0.185 18083 129 1 22 "Average Difference" C 39 1.033 0.104 1.042 18083 130 1 22 "Average Difference" CA 39 0.864 -0.536 0.686 18083 131 1 22 "Average Difference" CB 27 1.203 -0.093 1.222 18083 132 1 22 "Average Difference" HN 36 0.466 0.207 0.424 18083 133 1 23 "Average Difference" N 36 3.230 1.796 2.723 18083 134 1 23 "Average Difference" HA 27 0.239 0.195 0.141 18083 135 1 23 "Average Difference" C 39 1.069 0.531 0.940 18083 136 1 23 "Average Difference" CA 39 0.677 -0.408 0.548 18083 137 1 23 "Average Difference" CB 27 0.663 -0.020 0.676 18083 138 1 23 "Average Difference" HN 36 0.270 0.099 0.254 18083 139 1 24 "Average Difference" N 36 3.211 2.082 2.479 18083 140 1 24 "Average Difference" HA 27 0.274 0.232 0.149 18083 141 1 24 "Average Difference" C 39 0.990 0.391 0.922 18083 142 1 24 "Average Difference" CA 39 0.622 -0.359 0.515 18083 143 1 24 "Average Difference" CB 27 1.200 0.316 1.180 18083 144 1 24 "Average Difference" HN 36 0.279 0.157 0.234 18083 145 1 25 "Average Difference" N 36 3.617 2.409 2.737 18083 146 1 25 "Average Difference" HA 27 0.245 0.187 0.161 18083 147 1 25 "Average Difference" C 39 1.060 0.346 1.015 18083 148 1 25 "Average Difference" CA 39 0.619 -0.405 0.474 18083 149 1 25 "Average Difference" CB 27 1.258 0.340 1.234 18083 150 1 25 "Average Difference" HN 36 0.372 0.189 0.325 18083 151 1 26 "Average Difference" N 36 2.664 1.966 1.824 18083 152 1 26 "Average Difference" HA 27 0.281 0.234 0.160 18083 153 1 26 "Average Difference" C 39 0.934 0.386 0.862 18083 154 1 26 "Average Difference" CA 39 0.621 -0.358 0.514 18083 155 1 26 "Average Difference" CB 27 1.285 0.233 1.287 18083 156 1 26 "Average Difference" HN 36 0.356 0.201 0.298 18083 157 1 27 "Average Difference" N 36 3.289 2.071 2.591 18083 158 1 27 "Average Difference" HA 27 0.232 0.162 0.169 18083 159 1 27 "Average Difference" C 39 1.110 0.509 0.999 18083 160 1 27 "Average Difference" CA 39 0.622 -0.372 0.505 18083 161 1 27 "Average Difference" CB 27 1.278 0.098 1.298 18083 162 1 27 "Average Difference" HN 36 0.338 0.168 0.297 18083 163 1 28 "Average Difference" N 36 3.032 1.585 2.622 18083 164 1 28 "Average Difference" HA 27 0.216 0.153 0.156 18083 165 1 28 "Average Difference" C 39 0.930 0.358 0.869 18083 166 1 28 "Average Difference" CA 39 0.704 -0.516 0.485 18083 167 1 28 "Average Difference" CB 27 1.269 -0.137 1.286 18083 168 1 28 "Average Difference" HN 36 0.302 0.072 0.297 18083 169 1 29 "Average Difference" N 36 3.046 1.746 2.532 18083 170 1 29 "Average Difference" HA 27 0.303 0.230 0.201 18083 171 1 29 "Average Difference" C 39 1.004 0.395 0.935 18083 172 1 29 "Average Difference" CA 39 0.631 -0.319 0.551 18083 173 1 29 "Average Difference" CB 27 1.049 0.278 1.031 18083 174 1 29 "Average Difference" HN 36 0.329 0.159 0.292 18083 175 1 30 "Average Difference" N 36 3.460 2.603 2.312 18083 176 1 30 "Average Difference" HA 27 0.244 0.180 0.169 18083 177 1 30 "Average Difference" C 39 1.040 0.464 0.943 18083 178 1 30 "Average Difference" CA 39 0.640 -0.245 0.599 18083 179 1 30 "Average Difference" CB 27 1.278 0.397 1.238 18083 180 1 30 "Average Difference" HN 36 0.337 0.191 0.281 18083 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 18083 _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 4 4 PRO HA H 14 12.878 12.878 13.826 -0.948 18083 2 1 . 1 1 4 4 PRO C C 14 529.471 529.471 529.643 -0.172 18083 3 1 . 1 1 4 4 PRO CA C 14 186.700 186.700 187.284 -0.584 18083 4 1 . 1 1 4 4 PRO CB C 14 97.319 97.319 97.270 0.049 18083 5 1 . 1 1 5 5 GLN N N 15 365.204 365.204 360.795 4.409 18083 6 1 . 1 1 5 5 GLN HA H 15 12.407 12.407 13.013 -0.606 18083 7 1 . 1 1 5 5 GLN C C 15 531.031 531.031 529.235 1.796 18083 8 1 . 1 1 5 5 GLN CA C 15 168.112 168.112 167.042 1.070 18083 9 1 . 1 1 5 5 GLN CB C 15 84.410 84.410 87.024 -2.614 18083 10 1 . 1 1 5 5 GLN H H 15 25.119 25.119 25.055 0.064 18083 11 1 . 1 1 6 6 GLY N N 16 327.222 327.222 325.450 1.772 18083 12 1 . 1 1 6 6 GLY C C 16 518.886 518.886 522.872 -3.986 18083 13 1 . 1 1 6 6 GLY CA C 16 136.006 136.006 132.923 3.083 18083 14 1 . 1 1 6 6 GLY H H 16 24.214 24.214 24.984 -0.770 18083 15 1 . 1 1 7 7 ILE N N 17 347.432 347.432 359.875 -12.443 18083 16 1 . 1 1 7 7 ILE HA H 17 11.868 11.868 12.415 -0.547 18083 17 1 . 1 1 7 7 ILE C C 17 527.015 527.015 528.791 -1.776 18083 18 1 . 1 1 7 7 ILE CA C 17 185.315 185.315 182.738 2.577 18083 19 1 . 1 1 7 7 ILE CB C 17 118.045 118.045 115.896 2.149 18083 20 1 . 1 1 7 7 ILE H H 17 24.239 24.239 24.164 0.075 18083 21 1 . 1 1 8 8 ALA N N 18 375.223 375.223 389.553 -14.330 18083 22 1 . 1 1 8 8 ALA HA H 18 12.786 12.786 12.868 -0.081 18083 23 1 . 1 1 8 8 ALA C C 18 539.044 539.044 534.086 4.958 18083 24 1 . 1 1 8 8 ALA CA C 18 157.393 157.393 156.260 1.133 18083 25 1 . 1 1 8 8 ALA CB C 18 58.616 58.616 56.719 1.897 18083 26 1 . 1 1 8 8 ALA H H 18 24.327 24.327 24.962 -0.635 18083 27 1 . 1 1 9 9 GLY N N 19 316.733 316.733 326.881 -10.148 18083 28 1 . 1 1 9 9 GLY C C 19 519.537 519.537 522.754 -3.217 18083 29 1 . 1 1 9 9 GLY CA C 19 134.844 134.844 133.780 1.064 18083 30 1 . 1 1 9 9 GLY H H 19 25.151 25.151 24.664 0.487 18083 31 1 . 1 1 10 10 GLN N N 20 359.419 359.419 360.265 -0.846 18083 32 1 . 1 1 10 10 GLN HA H 20 12.015 12.015 12.872 -0.857 18083 33 1 . 1 1 10 10 GLN C C 20 526.820 526.820 529.346 -2.526 18083 34 1 . 1 1 10 10 GLN CA C 20 166.731 166.731 166.604 0.127 18083 35 1 . 1 1 10 10 GLN CB C 20 90.479 90.479 87.273 3.206 18083 36 1 . 1 1 10 10 GLN H H 20 24.952 24.952 24.879 0.072 18083 37 1 . 1 1 11 11 ARG N N 21 372.080 372.080 373.312 -1.232 18083 38 1 . 1 1 11 11 ARG HA H 21 12.652 12.652 12.701 -0.049 18083 39 1 . 1 1 11 11 ARG C C 21 532.389 532.389 530.768 1.621 18083 40 1 . 1 1 11 11 ARG CA C 21 170.940 170.940 168.751 2.189 18083 41 1 . 1 1 11 11 ARG CB C 21 91.409 91.409 92.308 -0.899 18083 42 1 . 1 1 11 11 ARG H H 21 25.105 25.105 25.473 -0.368 18083 43 1 . 1 1 12 12 GLY N N 22 329.454 329.454 337.134 -7.680 18083 44 1 . 1 1 12 12 GLY C C 22 519.077 519.077 522.704 -3.627 18083 45 1 . 1 1 12 12 GLY CA C 22 135.613 135.613 133.206 2.407 18083 46 1 . 1 1 12 12 GLY H H 22 24.821 24.821 24.956 -0.135 18083 47 1 . 1 1 13 13 VAL N N 23 351.137 351.137 359.941 -8.804 18083 48 1 . 1 1 13 13 VAL HA H 23 11.774 11.774 12.127 -0.353 18083 49 1 . 1 1 13 13 VAL C C 23 525.329 525.329 529.544 -4.215 18083 50 1 . 1 1 13 13 VAL CA C 23 185.901 185.901 185.056 0.845 18083 51 1 . 1 1 13 13 VAL CB C 23 99.323 99.323 97.903 1.420 18083 52 1 . 1 1 13 13 VAL H H 23 24.282 24.282 23.963 0.319 18083 53 1 . 1 1 14 14 VAL N N 24 368.925 368.925 367.764 1.161 18083 54 1 . 1 1 14 14 VAL HA H 24 11.777 11.777 12.232 -0.456 18083 55 1 . 1 1 14 14 VAL C C 24 526.908 526.908 529.248 -2.341 18083 56 1 . 1 1 14 14 VAL CA C 24 187.214 187.214 189.074 -1.860 18083 57 1 . 1 1 14 14 VAL CB C 24 96.380 96.380 96.768 -0.388 18083 58 1 . 1 1 14 14 VAL H H 24 22.559 22.559 24.334 -1.775 18083 59 1 . 1 1 15 15 GLY N N 25 326.169 326.169 338.603 -12.434 18083 60 1 . 1 1 15 15 GLY C C 25 519.334 519.334 520.415 -1.081 18083 61 1 . 1 1 15 15 GLY CA C 25 135.732 135.732 134.320 1.412 18083 62 1 . 1 1 15 15 GLY H H 25 23.860 23.860 25.423 -1.563 18083 63 1 . 1 1 16 16 LEU N N 26 359.597 359.597 365.468 -5.871 18083 64 1 . 1 1 16 16 LEU HA H 26 12.617 12.617 14.099 -1.482 18083 65 1 . 1 1 16 16 LEU C C 26 524.978 524.978 527.200 -2.222 18083 66 1 . 1 1 16 16 LEU CA C 26 161.453 161.453 159.961 1.492 18083 67 1 . 1 1 16 16 LEU CB C 26 123.641 123.641 129.898 -6.257 18083 68 1 . 1 1 16 16 LEU H H 26 24.665 24.665 25.613 -0.947 18083 stop_ save_