data_25260 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25260 _Entry.PDB_ID 2MVC 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 25260 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ILE N N 2 123.472 123.472 120.243 3.229 25260 2 1 1 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.820 0.157 25260 3 1 1 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.399 -4.322 25260 4 1 1 . 1 1 2 2 ILE H H 2 8.536 8.536 8.385 0.151 25260 5 1 1 . 1 1 3 3 VAL N N 3 125.510 125.510 119.934 5.576 25260 6 1 1 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.952 -0.267 25260 7 1 1 . 1 1 3 3 VAL CA C 3 65.327 65.327 66.129 -0.802 25260 8 1 1 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.495 0.568 25260 9 1 1 . 1 1 3 3 VAL H H 3 8.149 8.149 8.076 0.073 25260 10 1 1 . 1 1 4 4 GLU N N 4 125.884 125.884 119.069 6.815 25260 11 1 1 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.990 0.285 25260 12 1 1 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.744 -2.430 25260 13 1 1 . 1 1 4 4 GLU CB C 4 27.989 27.989 28.941 -0.952 25260 14 1 1 . 1 1 4 4 GLU H H 4 8.161 8.161 7.816 0.345 25260 15 1 1 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.061 0.039 25260 16 1 1 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.961 -0.116 25260 17 1 1 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.839 0.486 25260 18 1 1 . 1 1 5 5 GLN H H 5 8.299 8.299 7.883 0.416 25260 19 1 1 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.456 0.490 25260 20 1 1 . 1 1 6 6 CYS H H 6 8.337 8.337 7.771 0.566 25260 21 1 1 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.296 0.573 25260 22 1 1 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.699 -4.463 25260 23 1 1 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.968 12.026 25260 24 1 1 . 1 1 7 7 CYS H H 7 8.297 8.297 8.524 -0.227 25260 25 1 1 . 1 1 8 8 THR N N 8 122.151 122.151 112.406 9.745 25260 26 1 1 . 1 1 8 8 THR HA H 8 4.087 4.087 4.274 -0.187 25260 27 1 1 . 1 1 8 8 THR CA C 8 64.845 64.845 63.884 0.961 25260 28 1 1 . 1 1 8 8 THR CB C 8 68.652 68.652 69.113 -0.461 25260 29 1 1 . 1 1 8 8 THR H H 8 8.270 8.270 8.232 0.038 25260 30 1 1 . 1 1 9 9 SER HA H 9 4.801 4.801 4.708 0.093 25260 31 1 1 . 1 1 9 9 SER CA C 9 56.219 56.219 56.693 -0.474 25260 32 1 1 . 1 1 9 9 SER CB C 9 64.263 64.263 64.916 -0.653 25260 33 1 1 . 1 1 9 9 SER H H 9 7.471 7.471 7.617 -0.146 25260 34 1 1 . 1 1 10 10 ILE N N 10 119.738 119.738 122.326 -2.588 25260 35 1 1 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.236 0.142 25260 36 1 1 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.434 -0.352 25260 37 1 1 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.985 1.256 25260 38 1 1 . 1 1 10 10 ILE H H 10 7.857 7.857 8.349 -0.492 25260 39 1 1 . 1 1 11 11 CYS H H 11 9.732 9.732 8.822 0.910 25260 40 1 1 . 1 1 12 12 SER N N 12 119.584 119.584 121.067 -1.483 25260 41 1 1 . 1 1 12 12 SER HA H 12 4.616 4.616 4.598 0.018 25260 42 1 1 . 1 1 12 12 SER CA C 12 56.713 56.713 57.375 -0.662 25260 43 1 1 . 1 1 12 12 SER CB C 12 65.844 65.844 64.459 1.385 25260 44 1 1 . 1 1 12 12 SER H H 12 8.788 8.788 8.551 0.237 25260 45 1 1 . 1 1 13 13 LEU N N 13 123.958 123.958 117.548 6.410 25260 46 1 1 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.049 -0.178 25260 47 1 1 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.386 1.116 25260 48 1 1 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.840 0.493 25260 49 1 1 . 1 1 13 13 LEU H H 13 8.647 8.647 8.432 0.215 25260 50 1 1 . 1 1 14 14 TYR N N 14 117.677 117.677 117.372 0.305 25260 51 1 1 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.214 -0.038 25260 52 1 1 . 1 1 14 14 TYR CA C 14 60.217 60.217 61.091 -0.874 25260 53 1 1 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.489 0.349 25260 54 1 1 . 1 1 14 14 TYR H H 14 7.509 7.509 7.057 0.452 25260 55 1 1 . 1 1 15 15 GLN N N 15 120.146 120.146 117.608 2.538 25260 56 1 1 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.200 -0.195 25260 57 1 1 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.815 0.859 25260 58 1 1 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.479 0.717 25260 59 1 1 . 1 1 15 15 GLN H H 15 7.576 7.576 7.623 -0.047 25260 60 1 1 . 1 1 16 16 LEU N N 16 122.310 122.310 121.040 1.270 25260 61 1 1 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.238 -0.047 25260 62 1 1 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.998 0.315 25260 63 1 1 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.470 0.724 25260 64 1 1 . 1 1 16 16 LEU H H 16 8.116 8.116 8.315 -0.199 25260 65 1 1 . 1 1 17 17 GLU N N 17 116.342 116.342 119.167 -2.825 25260 66 1 1 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.048 0.162 25260 67 1 1 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.255 -1.511 25260 68 1 1 . 1 1 17 17 GLU CB C 17 27.748 27.748 28.759 -1.011 25260 69 1 1 . 1 1 17 17 GLU H H 17 8.099 8.099 8.223 -0.124 25260 70 1 1 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.550 -0.049 25260 71 1 1 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.605 -0.661 25260 72 1 1 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.364 0.229 25260 73 1 1 . 1 1 18 18 ASN H H 18 7.447 7.447 7.844 -0.397 25260 74 1 1 . 1 1 19 19 TYR N N 19 118.955 118.955 117.889 1.066 25260 75 1 1 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.385 0.095 25260 76 1 1 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.070 0.140 25260 77 1 1 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.305 -0.008 25260 78 1 1 . 1 1 19 19 TYR H H 19 7.934 7.934 8.113 -0.179 25260 79 1 1 . 1 1 20 20 CYS N N 20 118.333 118.333 115.152 3.181 25260 80 1 1 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.975 -0.072 25260 81 1 1 . 1 1 20 20 CYS CA C 20 53.902 53.902 56.445 -2.543 25260 82 1 1 . 1 1 20 20 CYS CB C 20 36.186 36.186 30.980 5.206 25260 83 1 1 . 1 1 20 20 CYS H H 20 7.457 7.457 7.835 -0.378 25260 84 1 2 . 1 1 2 2 ILE N N 2 123.472 123.472 120.687 2.785 25260 85 1 2 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.851 0.126 25260 86 1 2 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.378 -4.301 25260 87 1 2 . 1 1 2 2 ILE H H 2 8.536 8.536 8.383 0.153 25260 88 1 2 . 1 1 3 3 VAL N N 3 125.510 125.510 120.496 5.014 25260 89 1 2 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.061 -0.376 25260 90 1 2 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.866 -0.539 25260 91 1 2 . 1 1 3 3 VAL CB C 3 32.064 32.064 30.890 1.174 25260 92 1 2 . 1 1 3 3 VAL H H 3 8.149 8.149 8.062 0.088 25260 93 1 2 . 1 1 4 4 GLU N N 4 125.884 125.884 120.028 5.856 25260 94 1 2 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.003 0.272 25260 95 1 2 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.938 -2.623 25260 96 1 2 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.412 -1.423 25260 97 1 2 . 1 1 4 4 GLU H H 4 8.161 8.161 8.744 -0.583 25260 98 1 2 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.113 -0.013 25260 99 1 2 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.613 0.232 25260 100 1 2 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.381 0.944 25260 101 1 2 . 1 1 5 5 GLN H H 5 8.299 8.299 7.849 0.450 25260 102 1 2 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.376 0.570 25260 103 1 2 . 1 1 6 6 CYS H H 6 8.337 8.337 7.810 0.527 25260 104 1 2 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.265 0.604 25260 105 1 2 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.785 -4.548 25260 106 1 2 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.841 12.152 25260 107 1 2 . 1 1 7 7 CYS H H 7 8.297 8.297 8.557 -0.260 25260 108 1 2 . 1 1 8 8 THR N N 8 122.151 122.151 112.508 9.643 25260 109 1 2 . 1 1 8 8 THR HA H 8 4.087 4.087 4.264 -0.177 25260 110 1 2 . 1 1 8 8 THR CA C 8 64.845 64.845 63.902 0.943 25260 111 1 2 . 1 1 8 8 THR CB C 8 68.652 68.652 69.180 -0.528 25260 112 1 2 . 1 1 8 8 THR H H 8 8.270 8.270 8.201 0.069 25260 113 1 2 . 1 1 9 9 SER HA H 9 4.801 4.801 4.705 0.096 25260 114 1 2 . 1 1 9 9 SER CA C 9 56.219 56.219 56.741 -0.522 25260 115 1 2 . 1 1 9 9 SER CB C 9 64.263 64.263 64.911 -0.648 25260 116 1 2 . 1 1 9 9 SER H H 9 7.471 7.471 8.003 -0.532 25260 117 1 2 . 1 1 10 10 ILE N N 10 119.738 119.738 122.498 -2.760 25260 118 1 2 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.219 0.159 25260 119 1 2 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.243 -0.161 25260 120 1 2 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.408 2.833 25260 121 1 2 . 1 1 10 10 ILE H H 10 7.857 7.857 8.303 -0.446 25260 122 1 2 . 1 1 11 11 CYS H H 11 9.732 9.732 8.821 0.911 25260 123 1 2 . 1 1 12 12 SER N N 12 119.584 119.584 121.497 -1.913 25260 124 1 2 . 1 1 12 12 SER HA H 12 4.616 4.616 4.607 0.009 25260 125 1 2 . 1 1 12 12 SER CA C 12 56.713 56.713 57.403 -0.690 25260 126 1 2 . 1 1 12 12 SER CB C 12 65.844 65.844 64.482 1.362 25260 127 1 2 . 1 1 12 12 SER H H 12 8.788 8.788 8.559 0.229 25260 128 1 2 . 1 1 13 13 LEU N N 13 123.958 123.958 117.619 6.339 25260 129 1 2 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.019 -0.148 25260 130 1 2 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.494 1.008 25260 131 1 2 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.880 0.453 25260 132 1 2 . 1 1 13 13 LEU H H 13 8.647 8.647 8.445 0.202 25260 133 1 2 . 1 1 14 14 TYR N N 14 117.677 117.677 116.376 1.301 25260 134 1 2 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.410 -0.234 25260 135 1 2 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.202 0.015 25260 136 1 2 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.459 0.379 25260 137 1 2 . 1 1 14 14 TYR H H 14 7.509 7.509 7.105 0.404 25260 138 1 2 . 1 1 15 15 GLN N N 15 120.146 120.146 117.848 2.298 25260 139 1 2 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.184 -0.179 25260 140 1 2 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.174 0.500 25260 141 1 2 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.572 0.624 25260 142 1 2 . 1 1 15 15 GLN H H 15 7.576 7.576 7.645 -0.069 25260 143 1 2 . 1 1 16 16 LEU N N 16 122.310 122.310 120.908 1.402 25260 144 1 2 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.241 -0.050 25260 145 1 2 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.838 0.475 25260 146 1 2 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.654 0.540 25260 147 1 2 . 1 1 16 16 LEU H H 16 8.116 8.116 8.457 -0.341 25260 148 1 2 . 1 1 17 17 GLU N N 17 116.342 116.342 119.093 -2.751 25260 149 1 2 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.074 0.136 25260 150 1 2 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.190 -1.446 25260 151 1 2 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.163 -1.415 25260 152 1 2 . 1 1 17 17 GLU H H 17 8.099 8.099 8.187 -0.088 25260 153 1 2 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.561 -0.060 25260 154 1 2 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.542 -0.598 25260 155 1 2 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.333 0.260 25260 156 1 2 . 1 1 18 18 ASN H H 18 7.447 7.447 7.807 -0.360 25260 157 1 2 . 1 1 19 19 TYR N N 19 118.955 118.955 117.676 1.279 25260 158 1 2 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.429 0.051 25260 159 1 2 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.910 -0.700 25260 160 1 2 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.714 -0.417 25260 161 1 2 . 1 1 19 19 TYR H H 19 7.934 7.934 7.957 -0.023 25260 162 1 2 . 1 1 20 20 CYS N N 20 118.333 118.333 119.706 -1.373 25260 163 1 2 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.532 0.371 25260 164 1 2 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.395 -4.493 25260 165 1 2 . 1 1 20 20 CYS CB C 20 36.186 36.186 24.563 11.623 25260 166 1 2 . 1 1 20 20 CYS H H 20 7.457 7.457 7.780 -0.323 25260 167 1 3 . 1 1 2 2 ILE N N 2 123.472 123.472 120.884 2.588 25260 168 1 3 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.810 0.167 25260 169 1 3 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.405 -4.328 25260 170 1 3 . 1 1 2 2 ILE H H 2 8.536 8.536 8.347 0.189 25260 171 1 3 . 1 1 3 3 VAL N N 3 125.510 125.510 119.666 5.844 25260 172 1 3 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.942 -0.257 25260 173 1 3 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.321 0.006 25260 174 1 3 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.791 0.273 25260 175 1 3 . 1 1 3 3 VAL H H 3 8.149 8.149 8.205 -0.056 25260 176 1 3 . 1 1 4 4 GLU N N 4 125.884 125.884 119.617 6.267 25260 177 1 3 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.050 0.225 25260 178 1 3 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.991 -2.677 25260 179 1 3 . 1 1 4 4 GLU CB C 4 27.989 27.989 28.865 -0.876 25260 180 1 3 . 1 1 4 4 GLU H H 4 8.161 8.161 7.845 0.316 25260 181 1 3 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.101 -0.001 25260 182 1 3 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.944 -0.099 25260 183 1 3 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.098 1.227 25260 184 1 3 . 1 1 5 5 GLN H H 5 8.299 8.299 7.923 0.376 25260 185 1 3 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.424 0.522 25260 186 1 3 . 1 1 6 6 CYS H H 6 8.337 8.337 7.812 0.525 25260 187 1 3 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.271 0.598 25260 188 1 3 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.988 -4.752 25260 189 1 3 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.130 11.864 25260 190 1 3 . 1 1 7 7 CYS H H 7 8.297 8.297 8.353 -0.056 25260 191 1 3 . 1 1 8 8 THR N N 8 122.151 122.151 113.800 8.351 25260 192 1 3 . 1 1 8 8 THR HA H 8 4.087 4.087 4.349 -0.262 25260 193 1 3 . 1 1 8 8 THR CA C 8 64.845 64.845 63.802 1.043 25260 194 1 3 . 1 1 8 8 THR CB C 8 68.652 68.652 69.568 -0.916 25260 195 1 3 . 1 1 8 8 THR H H 8 8.270 8.270 8.264 0.006 25260 196 1 3 . 1 1 9 9 SER HA H 9 4.801 4.801 4.676 0.125 25260 197 1 3 . 1 1 9 9 SER CA C 9 56.219 56.219 56.985 -0.766 25260 198 1 3 . 1 1 9 9 SER CB C 9 64.263 64.263 66.042 -1.779 25260 199 1 3 . 1 1 9 9 SER H H 9 7.471 7.471 7.852 -0.381 25260 200 1 3 . 1 1 10 10 ILE N N 10 119.738 119.738 122.490 -2.752 25260 201 1 3 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.024 0.354 25260 202 1 3 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.188 -1.105 25260 203 1 3 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.607 2.634 25260 204 1 3 . 1 1 10 10 ILE H H 10 7.857 7.857 8.292 -0.435 25260 205 1 3 . 1 1 11 11 CYS H H 11 9.732 9.732 8.764 0.968 25260 206 1 3 . 1 1 12 12 SER N N 12 119.584 119.584 121.411 -1.827 25260 207 1 3 . 1 1 12 12 SER HA H 12 4.616 4.616 4.561 0.055 25260 208 1 3 . 1 1 12 12 SER CA C 12 56.713 56.713 57.575 -0.862 25260 209 1 3 . 1 1 12 12 SER CB C 12 65.844 65.844 64.450 1.394 25260 210 1 3 . 1 1 12 12 SER H H 12 8.788 8.788 8.029 0.759 25260 211 1 3 . 1 1 13 13 LEU N N 13 123.958 123.958 119.129 4.829 25260 212 1 3 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.031 -0.160 25260 213 1 3 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.655 0.847 25260 214 1 3 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.656 0.677 25260 215 1 3 . 1 1 13 13 LEU H H 13 8.647 8.647 8.593 0.054 25260 216 1 3 . 1 1 14 14 TYR N N 14 117.677 117.677 117.358 0.319 25260 217 1 3 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.710 -0.534 25260 218 1 3 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.246 -0.029 25260 219 1 3 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.531 0.307 25260 220 1 3 . 1 1 14 14 TYR H H 14 7.509 7.509 7.581 -0.072 25260 221 1 3 . 1 1 15 15 GLN N N 15 120.146 120.146 118.046 2.100 25260 222 1 3 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.199 -0.194 25260 223 1 3 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.214 0.460 25260 224 1 3 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.509 0.687 25260 225 1 3 . 1 1 15 15 GLN H H 15 7.576 7.576 7.662 -0.086 25260 226 1 3 . 1 1 16 16 LEU N N 16 122.310 122.310 121.038 1.272 25260 227 1 3 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.141 0.050 25260 228 1 3 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.888 0.425 25260 229 1 3 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.765 0.429 25260 230 1 3 . 1 1 16 16 LEU H H 16 8.116 8.116 8.443 -0.327 25260 231 1 3 . 1 1 17 17 GLU N N 17 116.342 116.342 119.071 -2.729 25260 232 1 3 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.054 0.156 25260 233 1 3 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.342 -1.598 25260 234 1 3 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.201 -1.453 25260 235 1 3 . 1 1 17 17 GLU H H 17 8.099 8.099 8.357 -0.258 25260 236 1 3 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.611 -0.110 25260 237 1 3 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.322 -0.378 25260 238 1 3 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.258 0.335 25260 239 1 3 . 1 1 18 18 ASN H H 18 7.447 7.447 7.893 -0.446 25260 240 1 3 . 1 1 19 19 TYR N N 19 118.955 118.955 117.097 1.858 25260 241 1 3 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.433 0.047 25260 242 1 3 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.224 -0.014 25260 243 1 3 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.481 -0.184 25260 244 1 3 . 1 1 19 19 TYR H H 19 7.934 7.934 7.788 0.146 25260 245 1 3 . 1 1 20 20 CYS N N 20 118.333 118.333 120.119 -1.786 25260 246 1 3 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.509 0.394 25260 247 1 3 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.077 -5.175 25260 248 1 3 . 1 1 20 20 CYS CB C 20 36.186 36.186 25.672 10.514 25260 249 1 3 . 1 1 20 20 CYS H H 20 7.457 7.457 7.723 -0.266 25260 250 1 4 . 1 1 2 2 ILE N N 2 123.472 123.472 121.380 2.092 25260 251 1 4 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.906 0.071 25260 252 1 4 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.301 -4.224 25260 253 1 4 . 1 1 2 2 ILE H H 2 8.536 8.536 8.570 -0.034 25260 254 1 4 . 1 1 3 3 VAL N N 3 125.510 125.510 118.885 6.625 25260 255 1 4 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.935 -0.250 25260 256 1 4 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.786 -0.459 25260 257 1 4 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.608 0.456 25260 258 1 4 . 1 1 3 3 VAL H H 3 8.149 8.149 7.769 0.380 25260 259 1 4 . 1 1 4 4 GLU N N 4 125.884 125.884 120.096 5.788 25260 260 1 4 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.021 0.254 25260 261 1 4 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.854 -2.540 25260 262 1 4 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.369 -1.379 25260 263 1 4 . 1 1 4 4 GLU H H 4 8.161 8.161 8.494 -0.333 25260 264 1 4 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.103 -0.003 25260 265 1 4 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.892 -0.046 25260 266 1 4 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.795 0.530 25260 267 1 4 . 1 1 5 5 GLN H H 5 8.299 8.299 8.256 0.043 25260 268 1 4 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.375 0.571 25260 269 1 4 . 1 1 6 6 CYS H H 6 8.337 8.337 8.185 0.152 25260 270 1 4 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.332 0.537 25260 271 1 4 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.790 -4.554 25260 272 1 4 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.093 11.901 25260 273 1 4 . 1 1 7 7 CYS H H 7 8.297 8.297 8.261 0.035 25260 274 1 4 . 1 1 8 8 THR N N 8 122.151 122.151 112.882 9.269 25260 275 1 4 . 1 1 8 8 THR HA H 8 4.087 4.087 4.225 -0.138 25260 276 1 4 . 1 1 8 8 THR CA C 8 64.845 64.845 64.196 0.649 25260 277 1 4 . 1 1 8 8 THR CB C 8 68.652 68.652 69.132 -0.480 25260 278 1 4 . 1 1 8 8 THR H H 8 8.270 8.270 8.130 0.140 25260 279 1 4 . 1 1 9 9 SER HA H 9 4.801 4.801 4.683 0.118 25260 280 1 4 . 1 1 9 9 SER CA C 9 56.219 56.219 56.702 -0.483 25260 281 1 4 . 1 1 9 9 SER CB C 9 64.263 64.263 65.053 -0.790 25260 282 1 4 . 1 1 9 9 SER H H 9 7.471 7.471 7.875 -0.404 25260 283 1 4 . 1 1 10 10 ILE N N 10 119.738 119.738 122.130 -2.392 25260 284 1 4 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.083 0.295 25260 285 1 4 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.849 -0.766 25260 286 1 4 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.655 2.586 25260 287 1 4 . 1 1 10 10 ILE H H 10 7.857 7.857 8.338 -0.481 25260 288 1 4 . 1 1 11 11 CYS H H 11 9.732 9.732 8.902 0.830 25260 289 1 4 . 1 1 12 12 SER N N 12 119.584 119.584 120.112 -0.528 25260 290 1 4 . 1 1 12 12 SER HA H 12 4.616 4.616 4.413 0.203 25260 291 1 4 . 1 1 12 12 SER CA C 12 56.713 56.713 57.931 -1.218 25260 292 1 4 . 1 1 12 12 SER CB C 12 65.844 65.844 64.193 1.651 25260 293 1 4 . 1 1 12 12 SER H H 12 8.788 8.788 7.871 0.917 25260 294 1 4 . 1 1 13 13 LEU N N 13 123.958 123.958 120.995 2.963 25260 295 1 4 . 1 1 13 13 LEU HA H 13 3.871 3.871 3.987 -0.116 25260 296 1 4 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.774 0.728 25260 297 1 4 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.780 0.553 25260 298 1 4 . 1 1 13 13 LEU H H 13 8.647 8.647 8.537 0.110 25260 299 1 4 . 1 1 14 14 TYR N N 14 117.677 117.677 117.244 0.433 25260 300 1 4 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.706 -0.530 25260 301 1 4 . 1 1 14 14 TYR CA C 14 60.217 60.217 59.989 0.228 25260 302 1 4 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.300 0.538 25260 303 1 4 . 1 1 14 14 TYR H H 14 7.509 7.509 7.436 0.073 25260 304 1 4 . 1 1 15 15 GLN N N 15 120.146 120.146 117.817 2.329 25260 305 1 4 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.242 -0.237 25260 306 1 4 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.894 0.780 25260 307 1 4 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.565 0.631 25260 308 1 4 . 1 1 15 15 GLN H H 15 7.576 7.576 7.888 -0.312 25260 309 1 4 . 1 1 16 16 LEU N N 16 122.310 122.310 121.371 0.939 25260 310 1 4 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.162 0.029 25260 311 1 4 . 1 1 16 16 LEU CA C 16 58.313 58.313 58.015 0.298 25260 312 1 4 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.703 0.491 25260 313 1 4 . 1 1 16 16 LEU H H 16 8.116 8.116 8.097 0.019 25260 314 1 4 . 1 1 17 17 GLU N N 17 116.342 116.342 118.875 -2.533 25260 315 1 4 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.050 0.160 25260 316 1 4 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.354 -1.610 25260 317 1 4 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.273 -1.525 25260 318 1 4 . 1 1 17 17 GLU H H 17 8.099 8.099 8.337 -0.238 25260 319 1 4 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.603 -0.102 25260 320 1 4 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.337 -0.393 25260 321 1 4 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.258 0.335 25260 322 1 4 . 1 1 18 18 ASN H H 18 7.447 7.447 7.881 -0.434 25260 323 1 4 . 1 1 19 19 TYR N N 19 118.955 118.955 117.555 1.400 25260 324 1 4 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.370 0.110 25260 325 1 4 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.795 -0.585 25260 326 1 4 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.618 -0.321 25260 327 1 4 . 1 1 19 19 TYR H H 19 7.934 7.934 7.773 0.161 25260 328 1 4 . 1 1 20 20 CYS N N 20 118.333 118.333 119.533 -1.200 25260 329 1 4 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.572 0.331 25260 330 1 4 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.711 -4.809 25260 331 1 4 . 1 1 20 20 CYS CB C 20 36.186 36.186 26.704 9.482 25260 332 1 4 . 1 1 20 20 CYS H H 20 7.457 7.457 7.686 -0.229 25260 333 1 5 . 1 1 2 2 ILE N N 2 123.472 123.472 120.796 2.676 25260 334 1 5 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.909 0.068 25260 335 1 5 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.304 -4.227 25260 336 1 5 . 1 1 2 2 ILE H H 2 8.536 8.536 8.230 0.306 25260 337 1 5 . 1 1 3 3 VAL N N 3 125.510 125.510 120.247 5.263 25260 338 1 5 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.077 -0.392 25260 339 1 5 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.716 -0.389 25260 340 1 5 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.288 0.776 25260 341 1 5 . 1 1 3 3 VAL H H 3 8.149 8.149 8.269 -0.120 25260 342 1 5 . 1 1 4 4 GLU N N 4 125.884 125.884 119.927 5.957 25260 343 1 5 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.042 0.233 25260 344 1 5 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.875 -2.561 25260 345 1 5 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.017 -1.028 25260 346 1 5 . 1 1 4 4 GLU H H 4 8.161 8.161 7.741 0.420 25260 347 1 5 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.077 0.023 25260 348 1 5 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.010 -0.165 25260 349 1 5 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.680 0.645 25260 350 1 5 . 1 1 5 5 GLN H H 5 8.299 8.299 7.744 0.555 25260 351 1 5 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.410 0.536 25260 352 1 5 . 1 1 6 6 CYS H H 6 8.337 8.337 8.015 0.322 25260 353 1 5 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.316 0.553 25260 354 1 5 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.772 -4.535 25260 355 1 5 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.912 12.082 25260 356 1 5 . 1 1 7 7 CYS H H 7 8.297 8.297 8.258 0.039 25260 357 1 5 . 1 1 8 8 THR N N 8 122.151 122.151 113.809 8.342 25260 358 1 5 . 1 1 8 8 THR HA H 8 4.087 4.087 4.342 -0.255 25260 359 1 5 . 1 1 8 8 THR CA C 8 64.845 64.845 63.983 0.863 25260 360 1 5 . 1 1 8 8 THR CB C 8 68.652 68.652 69.516 -0.864 25260 361 1 5 . 1 1 8 8 THR H H 8 8.270 8.270 8.276 -0.006 25260 362 1 5 . 1 1 9 9 SER HA H 9 4.801 4.801 4.692 0.109 25260 363 1 5 . 1 1 9 9 SER CA C 9 56.219 56.219 57.100 -0.881 25260 364 1 5 . 1 1 9 9 SER CB C 9 64.263 64.263 65.910 -1.647 25260 365 1 5 . 1 1 9 9 SER H H 9 7.471 7.471 7.822 -0.351 25260 366 1 5 . 1 1 10 10 ILE N N 10 119.738 119.738 122.696 -2.958 25260 367 1 5 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.100 0.278 25260 368 1 5 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.088 -1.006 25260 369 1 5 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.834 2.408 25260 370 1 5 . 1 1 10 10 ILE H H 10 7.857 7.857 8.340 -0.483 25260 371 1 5 . 1 1 11 11 CYS H H 11 9.732 9.732 8.577 1.155 25260 372 1 5 . 1 1 12 12 SER N N 12 119.584 119.584 120.186 -0.602 25260 373 1 5 . 1 1 12 12 SER HA H 12 4.616 4.616 4.547 0.069 25260 374 1 5 . 1 1 12 12 SER CA C 12 56.713 56.713 57.382 -0.669 25260 375 1 5 . 1 1 12 12 SER CB C 12 65.844 65.844 64.412 1.432 25260 376 1 5 . 1 1 12 12 SER H H 12 8.788 8.788 8.459 0.329 25260 377 1 5 . 1 1 13 13 LEU N N 13 123.958 123.958 117.329 6.629 25260 378 1 5 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.024 -0.153 25260 379 1 5 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.557 0.945 25260 380 1 5 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.837 0.495 25260 381 1 5 . 1 1 13 13 LEU H H 13 8.647 8.647 8.456 0.191 25260 382 1 5 . 1 1 14 14 TYR N N 14 117.677 117.677 116.835 0.842 25260 383 1 5 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.616 -0.440 25260 384 1 5 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.310 -0.093 25260 385 1 5 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.404 0.434 25260 386 1 5 . 1 1 14 14 TYR H H 14 7.509 7.509 7.145 0.364 25260 387 1 5 . 1 1 15 15 GLN N N 15 120.146 120.146 117.750 2.396 25260 388 1 5 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.173 -0.168 25260 389 1 5 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.173 0.501 25260 390 1 5 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.466 0.730 25260 391 1 5 . 1 1 15 15 GLN H H 15 7.576 7.576 7.679 -0.103 25260 392 1 5 . 1 1 16 16 LEU N N 16 122.310 122.310 121.009 1.301 25260 393 1 5 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.219 -0.028 25260 394 1 5 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.729 0.584 25260 395 1 5 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.631 0.563 25260 396 1 5 . 1 1 16 16 LEU H H 16 8.116 8.116 8.195 -0.079 25260 397 1 5 . 1 1 17 17 GLU N N 17 116.342 116.342 119.064 -2.722 25260 398 1 5 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.043 0.167 25260 399 1 5 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.370 -1.627 25260 400 1 5 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.150 -1.402 25260 401 1 5 . 1 1 17 17 GLU H H 17 8.099 8.099 8.344 -0.245 25260 402 1 5 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.519 -0.017 25260 403 1 5 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.398 -0.453 25260 404 1 5 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.536 0.057 25260 405 1 5 . 1 1 18 18 ASN H H 18 7.447 7.447 7.791 -0.344 25260 406 1 5 . 1 1 19 19 TYR N N 19 118.955 118.955 117.186 1.769 25260 407 1 5 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.416 0.064 25260 408 1 5 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.596 -0.386 25260 409 1 5 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.375 -0.078 25260 410 1 5 . 1 1 19 19 TYR H H 19 7.934 7.934 7.738 0.196 25260 411 1 5 . 1 1 20 20 CYS N N 20 118.333 118.333 118.660 -0.327 25260 412 1 5 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.702 0.201 25260 413 1 5 . 1 1 20 20 CYS CA C 20 53.902 53.902 57.755 -3.853 25260 414 1 5 . 1 1 20 20 CYS CB C 20 36.186 36.186 28.926 7.260 25260 415 1 5 . 1 1 20 20 CYS H H 20 7.457 7.457 7.631 -0.174 25260 416 1 6 . 1 1 2 2 ILE N N 2 123.472 123.472 124.664 -1.192 25260 417 1 6 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.940 0.037 25260 418 1 6 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.514 -4.437 25260 419 1 6 . 1 1 2 2 ILE H H 2 8.536 8.536 8.454 0.082 25260 420 1 6 . 1 1 3 3 VAL N N 3 125.510 125.510 119.680 5.830 25260 421 1 6 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.930 -0.245 25260 422 1 6 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.318 0.009 25260 423 1 6 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.304 0.760 25260 424 1 6 . 1 1 3 3 VAL H H 3 8.149 8.149 7.897 0.252 25260 425 1 6 . 1 1 4 4 GLU N N 4 125.884 125.884 119.902 5.982 25260 426 1 6 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.047 0.228 25260 427 1 6 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.250 -1.936 25260 428 1 6 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.283 -1.294 25260 429 1 6 . 1 1 4 4 GLU H H 4 8.161 8.161 7.837 0.324 25260 430 1 6 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.031 0.069 25260 431 1 6 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.521 -0.676 25260 432 1 6 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.822 0.503 25260 433 1 6 . 1 1 5 5 GLN H H 5 8.299 8.299 7.787 0.512 25260 434 1 6 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.478 0.468 25260 435 1 6 . 1 1 6 6 CYS H H 6 8.337 8.337 7.924 0.413 25260 436 1 6 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.351 0.518 25260 437 1 6 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.833 -4.597 25260 438 1 6 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.153 11.841 25260 439 1 6 . 1 1 7 7 CYS H H 7 8.297 8.297 8.292 0.005 25260 440 1 6 . 1 1 8 8 THR N N 8 122.151 122.151 113.371 8.780 25260 441 1 6 . 1 1 8 8 THR HA H 8 4.087 4.087 4.405 -0.318 25260 442 1 6 . 1 1 8 8 THR CA C 8 64.845 64.845 63.717 1.128 25260 443 1 6 . 1 1 8 8 THR CB C 8 68.652 68.652 69.519 -0.867 25260 444 1 6 . 1 1 8 8 THR H H 8 8.270 8.270 8.194 0.076 25260 445 1 6 . 1 1 9 9 SER HA H 9 4.801 4.801 4.724 0.077 25260 446 1 6 . 1 1 9 9 SER CA C 9 56.219 56.219 57.035 -0.816 25260 447 1 6 . 1 1 9 9 SER CB C 9 64.263 64.263 65.974 -1.711 25260 448 1 6 . 1 1 9 9 SER H H 9 7.471 7.471 7.726 -0.255 25260 449 1 6 . 1 1 10 10 ILE N N 10 119.738 119.738 122.352 -2.614 25260 450 1 6 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.201 0.177 25260 451 1 6 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.466 -0.384 25260 452 1 6 . 1 1 10 10 ILE CB C 10 39.241 39.241 38.085 1.156 25260 453 1 6 . 1 1 10 10 ILE H H 10 7.857 7.857 8.367 -0.510 25260 454 1 6 . 1 1 11 11 CYS H H 11 9.732 9.732 8.776 0.956 25260 455 1 6 . 1 1 12 12 SER N N 12 119.584 119.584 121.020 -1.436 25260 456 1 6 . 1 1 12 12 SER HA H 12 4.616 4.616 4.580 0.036 25260 457 1 6 . 1 1 12 12 SER CA C 12 56.713 56.713 57.419 -0.706 25260 458 1 6 . 1 1 12 12 SER CB C 12 65.844 65.844 64.460 1.384 25260 459 1 6 . 1 1 12 12 SER H H 12 8.788 8.788 8.559 0.230 25260 460 1 6 . 1 1 13 13 LEU N N 13 123.958 123.958 119.196 4.762 25260 461 1 6 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.001 -0.130 25260 462 1 6 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.680 0.822 25260 463 1 6 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.588 0.745 25260 464 1 6 . 1 1 13 13 LEU H H 13 8.647 8.647 8.546 0.101 25260 465 1 6 . 1 1 14 14 TYR N N 14 117.677 117.677 116.658 1.019 25260 466 1 6 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.628 -0.452 25260 467 1 6 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.077 0.140 25260 468 1 6 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.408 0.430 25260 469 1 6 . 1 1 14 14 TYR H H 14 7.509 7.509 7.430 0.079 25260 470 1 6 . 1 1 15 15 GLN N N 15 120.146 120.146 117.611 2.535 25260 471 1 6 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.192 -0.187 25260 472 1 6 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.511 0.162 25260 473 1 6 . 1 1 15 15 GLN CB C 15 29.196 29.196 29.030 0.166 25260 474 1 6 . 1 1 15 15 GLN H H 15 7.576 7.576 7.688 -0.112 25260 475 1 6 . 1 1 16 16 LEU N N 16 122.310 122.310 120.927 1.383 25260 476 1 6 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.254 -0.063 25260 477 1 6 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.865 0.448 25260 478 1 6 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.658 0.536 25260 479 1 6 . 1 1 16 16 LEU H H 16 8.116 8.116 8.273 -0.157 25260 480 1 6 . 1 1 17 17 GLU N N 17 116.342 116.342 119.619 -3.277 25260 481 1 6 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.041 0.169 25260 482 1 6 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.261 -1.517 25260 483 1 6 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.124 -1.376 25260 484 1 6 . 1 1 17 17 GLU H H 17 8.099 8.099 8.281 -0.182 25260 485 1 6 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.517 -0.016 25260 486 1 6 . 1 1 18 18 ASN CA C 18 54.944 54.944 56.033 -1.089 25260 487 1 6 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.406 0.187 25260 488 1 6 . 1 1 18 18 ASN H H 18 7.447 7.447 7.874 -0.427 25260 489 1 6 . 1 1 19 19 TYR N N 19 118.955 118.955 119.402 -0.447 25260 490 1 6 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.377 0.103 25260 491 1 6 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.671 -1.461 25260 492 1 6 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.459 -0.162 25260 493 1 6 . 1 1 19 19 TYR H H 19 7.934 7.934 8.224 -0.290 25260 494 1 6 . 1 1 20 20 CYS N N 20 118.333 118.333 114.423 3.910 25260 495 1 6 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.857 0.046 25260 496 1 6 . 1 1 20 20 CYS CA C 20 53.902 53.902 56.466 -2.564 25260 497 1 6 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.568 8.618 25260 498 1 6 . 1 1 20 20 CYS H H 20 7.457 7.457 7.908 -0.451 25260 499 1 7 . 1 1 2 2 ILE N N 2 123.472 123.472 121.141 2.331 25260 500 1 7 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.931 0.046 25260 501 1 7 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.429 -4.353 25260 502 1 7 . 1 1 2 2 ILE H H 2 8.536 8.536 8.516 0.020 25260 503 1 7 . 1 1 3 3 VAL N N 3 125.510 125.510 119.290 6.220 25260 504 1 7 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.941 -0.256 25260 505 1 7 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.987 -0.660 25260 506 1 7 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.116 0.948 25260 507 1 7 . 1 1 3 3 VAL H H 3 8.149 8.149 8.031 0.118 25260 508 1 7 . 1 1 4 4 GLU N N 4 125.884 125.884 119.644 6.240 25260 509 1 7 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.082 0.193 25260 510 1 7 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.819 -2.505 25260 511 1 7 . 1 1 4 4 GLU CB C 4 27.989 27.989 28.925 -0.936 25260 512 1 7 . 1 1 4 4 GLU H H 4 8.161 8.161 7.897 0.264 25260 513 1 7 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.088 0.012 25260 514 1 7 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.977 -0.132 25260 515 1 7 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.774 0.551 25260 516 1 7 . 1 1 5 5 GLN H H 5 8.299 8.299 8.107 0.192 25260 517 1 7 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.525 0.421 25260 518 1 7 . 1 1 6 6 CYS H H 6 8.337 8.337 7.790 0.547 25260 519 1 7 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.286 0.583 25260 520 1 7 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.495 -4.259 25260 521 1 7 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.856 12.138 25260 522 1 7 . 1 1 7 7 CYS H H 7 8.297 8.297 8.562 -0.265 25260 523 1 7 . 1 1 8 8 THR N N 8 122.151 122.151 113.549 8.602 25260 524 1 7 . 1 1 8 8 THR HA H 8 4.087 4.087 4.391 -0.304 25260 525 1 7 . 1 1 8 8 THR CA C 8 64.845 64.845 63.762 1.083 25260 526 1 7 . 1 1 8 8 THR CB C 8 68.652 68.652 69.438 -0.786 25260 527 1 7 . 1 1 8 8 THR H H 8 8.270 8.270 8.125 0.145 25260 528 1 7 . 1 1 9 9 SER HA H 9 4.801 4.801 4.732 0.069 25260 529 1 7 . 1 1 9 9 SER CA C 9 56.219 56.219 57.041 -0.822 25260 530 1 7 . 1 1 9 9 SER CB C 9 64.263 64.263 65.865 -1.601 25260 531 1 7 . 1 1 9 9 SER H H 9 7.471 7.471 7.496 -0.025 25260 532 1 7 . 1 1 10 10 ILE N N 10 119.738 119.738 121.573 -1.835 25260 533 1 7 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.313 0.065 25260 534 1 7 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.094 -0.012 25260 535 1 7 . 1 1 10 10 ILE CB C 10 39.241 39.241 38.668 0.573 25260 536 1 7 . 1 1 10 10 ILE H H 10 7.857 7.857 8.351 -0.494 25260 537 1 7 . 1 1 11 11 CYS H H 11 9.732 9.732 8.722 1.010 25260 538 1 7 . 1 1 12 12 SER N N 12 119.584 119.584 116.647 2.937 25260 539 1 7 . 1 1 12 12 SER HA H 12 4.616 4.616 4.599 0.017 25260 540 1 7 . 1 1 12 12 SER CA C 12 56.713 56.713 57.361 -0.648 25260 541 1 7 . 1 1 12 12 SER CB C 12 65.844 65.844 64.258 1.586 25260 542 1 7 . 1 1 12 12 SER H H 12 8.788 8.788 8.451 0.337 25260 543 1 7 . 1 1 13 13 LEU N N 13 123.958 123.958 119.067 4.891 25260 544 1 7 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.095 -0.224 25260 545 1 7 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.435 1.067 25260 546 1 7 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.641 0.692 25260 547 1 7 . 1 1 13 13 LEU H H 13 8.647 8.647 8.569 0.078 25260 548 1 7 . 1 1 14 14 TYR N N 14 117.677 117.677 117.264 0.413 25260 549 1 7 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.356 -0.180 25260 550 1 7 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.294 -0.077 25260 551 1 7 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.481 0.357 25260 552 1 7 . 1 1 14 14 TYR H H 14 7.509 7.509 7.544 -0.035 25260 553 1 7 . 1 1 15 15 GLN N N 15 120.146 120.146 118.003 2.143 25260 554 1 7 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.138 -0.133 25260 555 1 7 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.659 0.015 25260 556 1 7 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.837 0.359 25260 557 1 7 . 1 1 15 15 GLN H H 15 7.576 7.576 7.623 -0.047 25260 558 1 7 . 1 1 16 16 LEU N N 16 122.310 122.310 121.052 1.258 25260 559 1 7 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.301 -0.110 25260 560 1 7 . 1 1 16 16 LEU CA C 16 58.313 58.313 58.017 0.296 25260 561 1 7 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.745 0.449 25260 562 1 7 . 1 1 16 16 LEU H H 16 8.116 8.116 8.193 -0.077 25260 563 1 7 . 1 1 17 17 GLU N N 17 116.342 116.342 118.897 -2.555 25260 564 1 7 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.057 0.153 25260 565 1 7 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.211 -1.467 25260 566 1 7 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.191 -1.443 25260 567 1 7 . 1 1 17 17 GLU H H 17 8.099 8.099 8.134 -0.035 25260 568 1 7 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.527 -0.026 25260 569 1 7 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.338 -0.394 25260 570 1 7 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.276 0.317 25260 571 1 7 . 1 1 18 18 ASN H H 18 7.447 7.447 7.908 -0.461 25260 572 1 7 . 1 1 19 19 TYR N N 19 118.955 118.955 118.637 0.318 25260 573 1 7 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.352 0.128 25260 574 1 7 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.754 -1.544 25260 575 1 7 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.644 -0.347 25260 576 1 7 . 1 1 19 19 TYR H H 19 7.934 7.934 7.815 0.119 25260 577 1 7 . 1 1 20 20 CYS N N 20 118.333 118.333 118.323 0.010 25260 578 1 7 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.562 0.341 25260 579 1 7 . 1 1 20 20 CYS CA C 20 53.902 53.902 57.660 -3.758 25260 580 1 7 . 1 1 20 20 CYS CB C 20 36.186 36.186 24.574 11.612 25260 581 1 7 . 1 1 20 20 CYS H H 20 7.457 7.457 7.674 -0.217 25260 582 1 8 . 1 1 2 2 ILE N N 2 123.472 123.472 121.595 1.877 25260 583 1 8 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.977 -0.000 25260 584 1 8 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.493 -4.416 25260 585 1 8 . 1 1 2 2 ILE H H 2 8.536 8.536 8.459 0.077 25260 586 1 8 . 1 1 3 3 VAL N N 3 125.510 125.510 121.686 3.824 25260 587 1 8 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.101 -0.416 25260 588 1 8 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.518 -0.191 25260 589 1 8 . 1 1 3 3 VAL CB C 3 32.064 32.064 30.988 1.076 25260 590 1 8 . 1 1 3 3 VAL H H 3 8.149 8.149 8.074 0.075 25260 591 1 8 . 1 1 4 4 GLU N N 4 125.884 125.884 119.777 6.107 25260 592 1 8 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.017 0.258 25260 593 1 8 . 1 1 4 4 GLU CA C 4 57.314 57.314 60.214 -2.900 25260 594 1 8 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.300 -1.311 25260 595 1 8 . 1 1 4 4 GLU H H 4 8.161 8.161 8.546 -0.385 25260 596 1 8 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.061 0.039 25260 597 1 8 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.024 -0.179 25260 598 1 8 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.825 0.500 25260 599 1 8 . 1 1 5 5 GLN H H 5 8.299 8.299 7.911 0.388 25260 600 1 8 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.410 0.536 25260 601 1 8 . 1 1 6 6 CYS H H 6 8.337 8.337 8.038 0.299 25260 602 1 8 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.326 0.543 25260 603 1 8 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.152 -3.916 25260 604 1 8 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.971 12.023 25260 605 1 8 . 1 1 7 7 CYS H H 7 8.297 8.297 8.322 -0.025 25260 606 1 8 . 1 1 8 8 THR N N 8 122.151 122.151 114.413 7.738 25260 607 1 8 . 1 1 8 8 THR HA H 8 4.087 4.087 4.314 -0.227 25260 608 1 8 . 1 1 8 8 THR CA C 8 64.845 64.845 64.182 0.663 25260 609 1 8 . 1 1 8 8 THR CB C 8 68.652 68.652 69.355 -0.703 25260 610 1 8 . 1 1 8 8 THR H H 8 8.270 8.270 8.432 -0.162 25260 611 1 8 . 1 1 9 9 SER HA H 9 4.801 4.801 4.702 0.099 25260 612 1 8 . 1 1 9 9 SER CA C 9 56.219 56.219 57.060 -0.841 25260 613 1 8 . 1 1 9 9 SER CB C 9 64.263 64.263 65.642 -1.379 25260 614 1 8 . 1 1 9 9 SER H H 9 7.471 7.471 7.678 -0.207 25260 615 1 8 . 1 1 10 10 ILE N N 10 119.738 119.738 122.266 -2.528 25260 616 1 8 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.236 0.142 25260 617 1 8 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.748 -0.666 25260 618 1 8 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.258 1.983 25260 619 1 8 . 1 1 10 10 ILE H H 10 7.857 7.857 8.301 -0.444 25260 620 1 8 . 1 1 11 11 CYS H H 11 9.732 9.732 8.371 1.361 25260 621 1 8 . 1 1 12 12 SER N N 12 119.584 119.584 117.760 1.824 25260 622 1 8 . 1 1 12 12 SER HA H 12 4.616 4.616 4.665 -0.049 25260 623 1 8 . 1 1 12 12 SER CA C 12 56.713 56.713 57.096 -0.383 25260 624 1 8 . 1 1 12 12 SER CB C 12 65.844 65.844 64.615 1.229 25260 625 1 8 . 1 1 12 12 SER H H 12 8.788 8.788 8.370 0.418 25260 626 1 8 . 1 1 13 13 LEU N N 13 123.958 123.958 117.343 6.615 25260 627 1 8 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.074 -0.203 25260 628 1 8 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.214 1.288 25260 629 1 8 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.973 0.360 25260 630 1 8 . 1 1 13 13 LEU H H 13 8.647 8.647 8.482 0.165 25260 631 1 8 . 1 1 14 14 TYR N N 14 117.677 117.677 116.572 1.105 25260 632 1 8 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.700 -0.524 25260 633 1 8 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.296 -0.079 25260 634 1 8 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.662 0.176 25260 635 1 8 . 1 1 14 14 TYR H H 14 7.509 7.509 7.214 0.295 25260 636 1 8 . 1 1 15 15 GLN N N 15 120.146 120.146 117.583 2.563 25260 637 1 8 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.216 -0.211 25260 638 1 8 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.924 0.750 25260 639 1 8 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.590 0.606 25260 640 1 8 . 1 1 15 15 GLN H H 15 7.576 7.576 7.721 -0.145 25260 641 1 8 . 1 1 16 16 LEU N N 16 122.310 122.310 121.197 1.113 25260 642 1 8 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.271 -0.080 25260 643 1 8 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.883 0.430 25260 644 1 8 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.635 0.559 25260 645 1 8 . 1 1 16 16 LEU H H 16 8.116 8.116 8.215 -0.099 25260 646 1 8 . 1 1 17 17 GLU N N 17 116.342 116.342 118.902 -2.560 25260 647 1 8 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.045 0.165 25260 648 1 8 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.269 -1.525 25260 649 1 8 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.105 -1.357 25260 650 1 8 . 1 1 17 17 GLU H H 17 8.099 8.099 8.085 0.014 25260 651 1 8 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.567 -0.066 25260 652 1 8 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.333 -0.389 25260 653 1 8 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.253 0.340 25260 654 1 8 . 1 1 18 18 ASN H H 18 7.447 7.447 7.736 -0.289 25260 655 1 8 . 1 1 19 19 TYR N N 19 118.955 118.955 117.346 1.609 25260 656 1 8 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.401 0.079 25260 657 1 8 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.531 -0.321 25260 658 1 8 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.172 0.124 25260 659 1 8 . 1 1 19 19 TYR H H 19 7.934 7.934 7.878 0.056 25260 660 1 8 . 1 1 20 20 CYS N N 20 118.333 118.333 119.363 -1.030 25260 661 1 8 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.736 0.167 25260 662 1 8 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.111 -4.210 25260 663 1 8 . 1 1 20 20 CYS CB C 20 36.186 36.186 29.192 6.994 25260 664 1 8 . 1 1 20 20 CYS H H 20 7.457 7.457 7.673 -0.216 25260 665 1 9 . 1 1 2 2 ILE N N 2 123.472 123.472 122.850 0.622 25260 666 1 9 . 1 1 2 2 ILE HA H 2 3.977 3.977 4.139 -0.162 25260 667 1 9 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.504 -4.427 25260 668 1 9 . 1 1 2 2 ILE H H 2 8.536 8.536 8.679 -0.143 25260 669 1 9 . 1 1 3 3 VAL N N 3 125.510 125.510 119.889 5.621 25260 670 1 9 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.781 -0.096 25260 671 1 9 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.536 -0.209 25260 672 1 9 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.546 0.518 25260 673 1 9 . 1 1 3 3 VAL H H 3 8.149 8.149 8.109 0.040 25260 674 1 9 . 1 1 4 4 GLU N N 4 125.884 125.884 119.786 6.098 25260 675 1 9 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.006 0.269 25260 676 1 9 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.433 -2.119 25260 677 1 9 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.148 -1.159 25260 678 1 9 . 1 1 4 4 GLU H H 4 8.161 8.161 7.899 0.262 25260 679 1 9 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.156 -0.056 25260 680 1 9 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.445 0.400 25260 681 1 9 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.862 0.463 25260 682 1 9 . 1 1 5 5 GLN H H 5 8.299 8.299 7.944 0.355 25260 683 1 9 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.862 0.084 25260 684 1 9 . 1 1 6 6 CYS H H 6 8.337 8.337 7.858 0.479 25260 685 1 9 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.653 0.216 25260 686 1 9 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.208 -3.972 25260 687 1 9 . 1 1 7 7 CYS CB C 7 38.994 38.994 28.029 10.965 25260 688 1 9 . 1 1 7 7 CYS H H 7 8.297 8.297 8.158 0.139 25260 689 1 9 . 1 1 8 8 THR N N 8 122.151 122.151 114.960 7.191 25260 690 1 9 . 1 1 8 8 THR HA H 8 4.087 4.087 4.312 -0.225 25260 691 1 9 . 1 1 8 8 THR CA C 8 64.845 64.845 64.124 0.721 25260 692 1 9 . 1 1 8 8 THR CB C 8 68.652 68.652 69.295 -0.643 25260 693 1 9 . 1 1 8 8 THR H H 8 8.270 8.270 8.016 0.254 25260 694 1 9 . 1 1 9 9 SER HA H 9 4.801 4.801 4.720 0.081 25260 695 1 9 . 1 1 9 9 SER CA C 9 56.219 56.219 57.323 -1.104 25260 696 1 9 . 1 1 9 9 SER CB C 9 64.263 64.263 65.924 -1.661 25260 697 1 9 . 1 1 9 9 SER H H 9 7.471 7.471 7.648 -0.177 25260 698 1 9 . 1 1 10 10 ILE N N 10 119.738 119.738 119.402 0.336 25260 699 1 9 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.208 0.170 25260 700 1 9 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.505 -0.423 25260 701 1 9 . 1 1 10 10 ILE CB C 10 39.241 39.241 38.194 1.047 25260 702 1 9 . 1 1 10 10 ILE H H 10 7.857 7.857 8.282 -0.425 25260 703 1 9 . 1 1 11 11 CYS H H 11 9.732 9.732 7.975 1.757 25260 704 1 9 . 1 1 12 12 SER N N 12 119.584 119.584 116.520 3.064 25260 705 1 9 . 1 1 12 12 SER HA H 12 4.616 4.616 4.658 -0.042 25260 706 1 9 . 1 1 12 12 SER CA C 12 56.713 56.713 57.425 -0.712 25260 707 1 9 . 1 1 12 12 SER CB C 12 65.844 65.844 64.746 1.098 25260 708 1 9 . 1 1 12 12 SER H H 12 8.788 8.788 8.654 0.134 25260 709 1 9 . 1 1 13 13 LEU N N 13 123.958 123.958 117.406 6.552 25260 710 1 9 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.068 -0.197 25260 711 1 9 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.253 1.249 25260 712 1 9 . 1 1 13 13 LEU CB C 13 41.333 41.333 41.006 0.327 25260 713 1 9 . 1 1 13 13 LEU H H 13 8.647 8.647 8.455 0.192 25260 714 1 9 . 1 1 14 14 TYR N N 14 117.677 117.677 116.988 0.689 25260 715 1 9 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.189 -0.013 25260 716 1 9 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.898 -0.681 25260 717 1 9 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.497 0.341 25260 718 1 9 . 1 1 14 14 TYR H H 14 7.509 7.509 7.094 0.415 25260 719 1 9 . 1 1 15 15 GLN N N 15 120.146 120.146 117.896 2.250 25260 720 1 9 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.212 -0.207 25260 721 1 9 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.424 0.250 25260 722 1 9 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.983 0.213 25260 723 1 9 . 1 1 15 15 GLN H H 15 7.576 7.576 7.593 -0.017 25260 724 1 9 . 1 1 16 16 LEU N N 16 122.310 122.310 120.918 1.392 25260 725 1 9 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.195 -0.004 25260 726 1 9 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.878 0.435 25260 727 1 9 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.520 0.673 25260 728 1 9 . 1 1 16 16 LEU H H 16 8.116 8.116 8.148 -0.032 25260 729 1 9 . 1 1 17 17 GLU N N 17 116.342 116.342 118.990 -2.648 25260 730 1 9 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.129 0.081 25260 731 1 9 . 1 1 17 17 GLU CA C 17 57.744 57.744 58.919 -1.175 25260 732 1 9 . 1 1 17 17 GLU CB C 17 27.748 27.748 28.774 -1.026 25260 733 1 9 . 1 1 17 17 GLU H H 17 8.099 8.099 8.053 0.046 25260 734 1 9 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.530 -0.029 25260 735 1 9 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.347 -0.403 25260 736 1 9 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.399 0.194 25260 737 1 9 . 1 1 18 18 ASN H H 18 7.447 7.447 7.944 -0.497 25260 738 1 9 . 1 1 19 19 TYR N N 19 118.955 118.955 117.022 1.933 25260 739 1 9 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.457 0.023 25260 740 1 9 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.893 -0.683 25260 741 1 9 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.631 -0.334 25260 742 1 9 . 1 1 19 19 TYR H H 19 7.934 7.934 7.930 0.004 25260 743 1 9 . 1 1 20 20 CYS N N 20 118.333 118.333 120.017 -1.684 25260 744 1 9 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.495 0.408 25260 745 1 9 . 1 1 20 20 CYS CA C 20 53.902 53.902 57.865 -3.963 25260 746 1 9 . 1 1 20 20 CYS CB C 20 36.186 36.186 24.674 11.512 25260 747 1 9 . 1 1 20 20 CYS H H 20 7.457 7.457 7.857 -0.400 25260 748 1 10 . 1 1 2 2 ILE N N 2 123.472 123.472 121.874 1.598 25260 749 1 10 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.865 0.112 25260 750 1 10 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.442 -4.365 25260 751 1 10 . 1 1 2 2 ILE H H 2 8.536 8.536 8.524 0.012 25260 752 1 10 . 1 1 3 3 VAL N N 3 125.510 125.510 119.610 5.900 25260 753 1 10 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.011 -0.326 25260 754 1 10 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.990 -0.663 25260 755 1 10 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.206 0.858 25260 756 1 10 . 1 1 3 3 VAL H H 3 8.149 8.149 8.067 0.082 25260 757 1 10 . 1 1 4 4 GLU N N 4 125.884 125.884 119.735 6.149 25260 758 1 10 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.987 0.288 25260 759 1 10 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.821 -2.506 25260 760 1 10 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.088 -1.099 25260 761 1 10 . 1 1 4 4 GLU H H 4 8.161 8.161 7.875 0.286 25260 762 1 10 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.071 0.029 25260 763 1 10 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.990 -0.145 25260 764 1 10 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.845 0.480 25260 765 1 10 . 1 1 5 5 GLN H H 5 8.299 8.299 7.869 0.430 25260 766 1 10 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.442 0.504 25260 767 1 10 . 1 1 6 6 CYS H H 6 8.337 8.337 7.844 0.493 25260 768 1 10 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.311 0.558 25260 769 1 10 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.442 -4.206 25260 770 1 10 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.052 11.941 25260 771 1 10 . 1 1 7 7 CYS H H 7 8.297 8.297 8.263 0.034 25260 772 1 10 . 1 1 8 8 THR N N 8 122.151 122.151 113.704 8.447 25260 773 1 10 . 1 1 8 8 THR HA H 8 4.087 4.087 4.347 -0.260 25260 774 1 10 . 1 1 8 8 THR CA C 8 64.845 64.845 64.004 0.841 25260 775 1 10 . 1 1 8 8 THR CB C 8 68.652 68.652 69.490 -0.838 25260 776 1 10 . 1 1 8 8 THR H H 8 8.270 8.270 8.352 -0.082 25260 777 1 10 . 1 1 9 9 SER HA H 9 4.801 4.801 4.677 0.124 25260 778 1 10 . 1 1 9 9 SER CA C 9 56.219 56.219 57.036 -0.817 25260 779 1 10 . 1 1 9 9 SER CB C 9 64.263 64.263 65.974 -1.711 25260 780 1 10 . 1 1 9 9 SER H H 9 7.471 7.471 7.566 -0.095 25260 781 1 10 . 1 1 10 10 ILE N N 10 119.738 119.738 122.472 -2.734 25260 782 1 10 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.195 0.183 25260 783 1 10 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.572 -0.490 25260 784 1 10 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.213 2.028 25260 785 1 10 . 1 1 10 10 ILE H H 10 7.857 7.857 8.275 -0.418 25260 786 1 10 . 1 1 11 11 CYS H H 11 9.732 9.732 8.403 1.329 25260 787 1 10 . 1 1 12 12 SER N N 12 119.584 119.584 118.333 1.251 25260 788 1 10 . 1 1 12 12 SER HA H 12 4.616 4.616 4.598 0.018 25260 789 1 10 . 1 1 12 12 SER CA C 12 56.713 56.713 57.196 -0.483 25260 790 1 10 . 1 1 12 12 SER CB C 12 65.844 65.844 64.489 1.355 25260 791 1 10 . 1 1 12 12 SER H H 12 8.788 8.788 8.410 0.378 25260 792 1 10 . 1 1 13 13 LEU N N 13 123.958 123.958 117.188 6.770 25260 793 1 10 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.085 -0.214 25260 794 1 10 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.267 1.235 25260 795 1 10 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.996 0.337 25260 796 1 10 . 1 1 13 13 LEU H H 13 8.647 8.647 8.453 0.194 25260 797 1 10 . 1 1 14 14 TYR N N 14 117.677 117.677 117.165 0.512 25260 798 1 10 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.690 -0.514 25260 799 1 10 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.152 0.065 25260 800 1 10 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.488 0.350 25260 801 1 10 . 1 1 14 14 TYR H H 14 7.509 7.509 7.135 0.374 25260 802 1 10 . 1 1 15 15 GLN N N 15 120.146 120.146 118.152 1.994 25260 803 1 10 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.188 -0.183 25260 804 1 10 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.585 0.089 25260 805 1 10 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.806 0.390 25260 806 1 10 . 1 1 15 15 GLN H H 15 7.576 7.576 7.652 -0.076 25260 807 1 10 . 1 1 16 16 LEU N N 16 122.310 122.310 120.958 1.352 25260 808 1 10 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.275 -0.084 25260 809 1 10 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.782 0.531 25260 810 1 10 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.732 0.462 25260 811 1 10 . 1 1 16 16 LEU H H 16 8.116 8.116 8.175 -0.059 25260 812 1 10 . 1 1 17 17 GLU N N 17 116.342 116.342 119.368 -3.026 25260 813 1 10 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.061 0.149 25260 814 1 10 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.283 -1.539 25260 815 1 10 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.221 -1.473 25260 816 1 10 . 1 1 17 17 GLU H H 17 8.099 8.099 8.241 -0.142 25260 817 1 10 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.538 -0.037 25260 818 1 10 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.733 -0.789 25260 819 1 10 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.257 0.336 25260 820 1 10 . 1 1 18 18 ASN H H 18 7.447 7.447 7.823 -0.376 25260 821 1 10 . 1 1 19 19 TYR N N 19 118.955 118.955 119.979 -1.024 25260 822 1 10 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.382 0.098 25260 823 1 10 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.878 -1.668 25260 824 1 10 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.591 -0.294 25260 825 1 10 . 1 1 19 19 TYR H H 19 7.934 7.934 8.196 -0.262 25260 826 1 10 . 1 1 20 20 CYS N N 20 118.333 118.333 114.357 3.976 25260 827 1 10 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.891 0.012 25260 828 1 10 . 1 1 20 20 CYS CA C 20 53.902 53.902 56.550 -2.648 25260 829 1 10 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.422 8.764 25260 830 1 10 . 1 1 20 20 CYS H H 20 7.457 7.457 7.940 -0.483 25260 831 1 11 . 1 1 2 2 ILE N N 2 123.472 123.472 122.527 0.945 25260 832 1 11 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.916 0.061 25260 833 1 11 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.463 -4.386 25260 834 1 11 . 1 1 2 2 ILE H H 2 8.536 8.536 8.484 0.052 25260 835 1 11 . 1 1 3 3 VAL N N 3 125.510 125.510 119.787 5.723 25260 836 1 11 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.973 -0.288 25260 837 1 11 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.406 -0.079 25260 838 1 11 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.209 0.855 25260 839 1 11 . 1 1 3 3 VAL H H 3 8.149 8.149 7.907 0.242 25260 840 1 11 . 1 1 4 4 GLU N N 4 125.884 125.884 119.457 6.427 25260 841 1 11 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.008 0.267 25260 842 1 11 . 1 1 4 4 GLU CA C 4 57.314 57.314 60.312 -2.998 25260 843 1 11 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.443 -1.454 25260 844 1 11 . 1 1 4 4 GLU H H 4 8.161 8.161 8.677 -0.516 25260 845 1 11 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.073 0.027 25260 846 1 11 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.946 -0.101 25260 847 1 11 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.770 0.555 25260 848 1 11 . 1 1 5 5 GLN H H 5 8.299 8.299 8.373 -0.074 25260 849 1 11 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.404 0.542 25260 850 1 11 . 1 1 6 6 CYS H H 6 8.337 8.337 7.965 0.372 25260 851 1 11 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.263 0.606 25260 852 1 11 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.607 -4.371 25260 853 1 11 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.921 12.073 25260 854 1 11 . 1 1 7 7 CYS H H 7 8.297 8.297 8.459 -0.162 25260 855 1 11 . 1 1 8 8 THR N N 8 122.151 122.151 112.287 9.864 25260 856 1 11 . 1 1 8 8 THR HA H 8 4.087 4.087 4.261 -0.174 25260 857 1 11 . 1 1 8 8 THR CA C 8 64.845 64.845 63.899 0.946 25260 858 1 11 . 1 1 8 8 THR CB C 8 68.652 68.652 69.199 -0.547 25260 859 1 11 . 1 1 8 8 THR H H 8 8.270 8.270 8.148 0.122 25260 860 1 11 . 1 1 9 9 SER HA H 9 4.801 4.801 4.701 0.100 25260 861 1 11 . 1 1 9 9 SER CA C 9 56.219 56.219 56.753 -0.534 25260 862 1 11 . 1 1 9 9 SER CB C 9 64.263 64.263 64.976 -0.713 25260 863 1 11 . 1 1 9 9 SER H H 9 7.471 7.471 7.945 -0.474 25260 864 1 11 . 1 1 10 10 ILE N N 10 119.738 119.738 122.196 -2.458 25260 865 1 11 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.207 0.171 25260 866 1 11 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.465 -0.383 25260 867 1 11 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.896 2.345 25260 868 1 11 . 1 1 10 10 ILE H H 10 7.857 7.857 8.265 -0.408 25260 869 1 11 . 1 1 11 11 CYS H H 11 9.732 9.732 8.792 0.940 25260 870 1 11 . 1 1 12 12 SER N N 12 119.584 119.584 120.874 -1.290 25260 871 1 11 . 1 1 12 12 SER HA H 12 4.616 4.616 4.655 -0.039 25260 872 1 11 . 1 1 12 12 SER CA C 12 56.713 56.713 57.377 -0.664 25260 873 1 11 . 1 1 12 12 SER CB C 12 65.844 65.844 64.539 1.305 25260 874 1 11 . 1 1 12 12 SER H H 12 8.788 8.788 8.618 0.170 25260 875 1 11 . 1 1 13 13 LEU N N 13 123.958 123.958 117.730 6.228 25260 876 1 11 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.047 -0.176 25260 877 1 11 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.439 1.063 25260 878 1 11 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.922 0.411 25260 879 1 11 . 1 1 13 13 LEU H H 13 8.647 8.647 8.496 0.151 25260 880 1 11 . 1 1 14 14 TYR N N 14 117.677 117.677 117.365 0.312 25260 881 1 11 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.212 -0.036 25260 882 1 11 . 1 1 14 14 TYR CA C 14 60.217 60.217 61.360 -1.143 25260 883 1 11 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.626 0.212 25260 884 1 11 . 1 1 14 14 TYR H H 14 7.509 7.509 7.178 0.331 25260 885 1 11 . 1 1 15 15 GLN N N 15 120.146 120.146 117.836 2.310 25260 886 1 11 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.172 -0.167 25260 887 1 11 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.302 0.372 25260 888 1 11 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.602 0.594 25260 889 1 11 . 1 1 15 15 GLN H H 15 7.576 7.576 7.643 -0.067 25260 890 1 11 . 1 1 16 16 LEU N N 16 122.310 122.310 120.758 1.552 25260 891 1 11 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.328 -0.137 25260 892 1 11 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.872 0.441 25260 893 1 11 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.618 0.576 25260 894 1 11 . 1 1 16 16 LEU H H 16 8.116 8.116 8.418 -0.302 25260 895 1 11 . 1 1 17 17 GLU N N 17 116.342 116.342 118.882 -2.540 25260 896 1 11 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.099 0.111 25260 897 1 11 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.129 -1.385 25260 898 1 11 . 1 1 17 17 GLU CB C 17 27.748 27.748 28.781 -1.033 25260 899 1 11 . 1 1 17 17 GLU H H 17 8.099 8.099 8.208 -0.109 25260 900 1 11 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.498 0.003 25260 901 1 11 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.255 -0.311 25260 902 1 11 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.270 0.323 25260 903 1 11 . 1 1 18 18 ASN H H 18 7.447 7.447 7.860 -0.413 25260 904 1 11 . 1 1 19 19 TYR N N 19 118.955 118.955 116.630 2.325 25260 905 1 11 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.401 0.079 25260 906 1 11 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.151 -0.941 25260 907 1 11 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.793 -0.496 25260 908 1 11 . 1 1 19 19 TYR H H 19 7.934 7.934 7.768 0.166 25260 909 1 11 . 1 1 20 20 CYS N N 20 118.333 118.333 119.116 -0.783 25260 910 1 11 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.530 0.373 25260 911 1 11 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.116 -4.214 25260 912 1 11 . 1 1 20 20 CYS CB C 20 36.186 36.186 24.641 11.545 25260 913 1 11 . 1 1 20 20 CYS H H 20 7.457 7.457 7.713 -0.256 25260 914 1 12 . 1 1 2 2 ILE N N 2 123.472 123.472 123.174 0.298 25260 915 1 12 . 1 1 2 2 ILE HA H 2 3.977 3.977 4.003 -0.026 25260 916 1 12 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.475 -4.398 25260 917 1 12 . 1 1 2 2 ILE H H 2 8.536 8.536 8.622 -0.086 25260 918 1 12 . 1 1 3 3 VAL N N 3 125.510 125.510 120.107 5.403 25260 919 1 12 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.024 -0.339 25260 920 1 12 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.419 -0.092 25260 921 1 12 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.905 0.159 25260 922 1 12 . 1 1 3 3 VAL H H 3 8.149 8.149 8.183 -0.034 25260 923 1 12 . 1 1 4 4 GLU N N 4 125.884 125.884 119.508 6.376 25260 924 1 12 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.962 0.313 25260 925 1 12 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.739 -2.425 25260 926 1 12 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.310 -1.321 25260 927 1 12 . 1 1 4 4 GLU H H 4 8.161 8.161 7.718 0.443 25260 928 1 12 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.112 -0.012 25260 929 1 12 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.692 0.153 25260 930 1 12 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.711 0.614 25260 931 1 12 . 1 1 5 5 GLN H H 5 8.299 8.299 7.960 0.339 25260 932 1 12 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.571 0.375 25260 933 1 12 . 1 1 6 6 CYS H H 6 8.337 8.337 7.688 0.649 25260 934 1 12 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.336 0.533 25260 935 1 12 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.324 -4.088 25260 936 1 12 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.970 12.024 25260 937 1 12 . 1 1 7 7 CYS H H 7 8.297 8.297 8.312 -0.015 25260 938 1 12 . 1 1 8 8 THR N N 8 122.151 122.151 113.496 8.655 25260 939 1 12 . 1 1 8 8 THR HA H 8 4.087 4.087 4.356 -0.269 25260 940 1 12 . 1 1 8 8 THR CA C 8 64.845 64.845 64.231 0.614 25260 941 1 12 . 1 1 8 8 THR CB C 8 68.652 68.652 69.139 -0.487 25260 942 1 12 . 1 1 8 8 THR H H 8 8.270 8.270 8.121 0.149 25260 943 1 12 . 1 1 9 9 SER HA H 9 4.801 4.801 4.733 0.068 25260 944 1 12 . 1 1 9 9 SER CA C 9 56.219 56.219 56.856 -0.637 25260 945 1 12 . 1 1 9 9 SER CB C 9 64.263 64.263 65.875 -1.612 25260 946 1 12 . 1 1 9 9 SER H H 9 7.471 7.471 7.368 0.103 25260 947 1 12 . 1 1 10 10 ILE N N 10 119.738 119.738 122.034 -2.296 25260 948 1 12 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.304 0.074 25260 949 1 12 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.180 -0.098 25260 950 1 12 . 1 1 10 10 ILE CB C 10 39.241 39.241 38.558 0.683 25260 951 1 12 . 1 1 10 10 ILE H H 10 7.857 7.857 8.295 -0.438 25260 952 1 12 . 1 1 11 11 CYS H H 11 9.732 9.732 8.612 1.120 25260 953 1 12 . 1 1 12 12 SER N N 12 119.584 119.584 117.891 1.693 25260 954 1 12 . 1 1 12 12 SER HA H 12 4.616 4.616 4.598 0.018 25260 955 1 12 . 1 1 12 12 SER CA C 12 56.713 56.713 57.211 -0.498 25260 956 1 12 . 1 1 12 12 SER CB C 12 65.844 65.844 64.723 1.121 25260 957 1 12 . 1 1 12 12 SER H H 12 8.788 8.788 8.519 0.269 25260 958 1 12 . 1 1 13 13 LEU N N 13 123.958 123.958 117.562 6.396 25260 959 1 12 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.092 -0.221 25260 960 1 12 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.319 1.183 25260 961 1 12 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.905 0.428 25260 962 1 12 . 1 1 13 13 LEU H H 13 8.647 8.647 8.446 0.201 25260 963 1 12 . 1 1 14 14 TYR N N 14 117.677 117.677 116.956 0.721 25260 964 1 12 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.650 -0.474 25260 965 1 12 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.100 0.117 25260 966 1 12 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.410 0.428 25260 967 1 12 . 1 1 14 14 TYR H H 14 7.509 7.509 7.086 0.423 25260 968 1 12 . 1 1 15 15 GLN N N 15 120.146 120.146 118.074 2.072 25260 969 1 12 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.153 -0.148 25260 970 1 12 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.576 0.098 25260 971 1 12 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.877 0.319 25260 972 1 12 . 1 1 15 15 GLN H H 15 7.576 7.576 7.569 0.007 25260 973 1 12 . 1 1 16 16 LEU N N 16 122.310 122.310 120.983 1.327 25260 974 1 12 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.285 -0.094 25260 975 1 12 . 1 1 16 16 LEU CA C 16 58.313 58.313 58.026 0.287 25260 976 1 12 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.704 0.490 25260 977 1 12 . 1 1 16 16 LEU H H 16 8.116 8.116 8.297 -0.181 25260 978 1 12 . 1 1 17 17 GLU N N 17 116.342 116.342 118.937 -2.595 25260 979 1 12 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.054 0.156 25260 980 1 12 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.319 -1.575 25260 981 1 12 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.140 -1.392 25260 982 1 12 . 1 1 17 17 GLU H H 17 8.099 8.099 8.155 -0.056 25260 983 1 12 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.531 -0.030 25260 984 1 12 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.716 -0.772 25260 985 1 12 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.272 0.321 25260 986 1 12 . 1 1 18 18 ASN H H 18 7.447 7.447 7.924 -0.477 25260 987 1 12 . 1 1 19 19 TYR N N 19 118.955 118.955 118.804 0.151 25260 988 1 12 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.428 0.052 25260 989 1 12 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.566 -1.355 25260 990 1 12 . 1 1 19 19 TYR CB C 19 38.297 38.297 37.933 0.364 25260 991 1 12 . 1 1 19 19 TYR H H 19 7.934 7.934 8.189 -0.255 25260 992 1 12 . 1 1 20 20 CYS N N 20 118.333 118.333 118.354 -0.021 25260 993 1 12 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.731 0.172 25260 994 1 12 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.616 -4.714 25260 995 1 12 . 1 1 20 20 CYS CB C 20 36.186 36.186 26.624 9.562 25260 996 1 12 . 1 1 20 20 CYS H H 20 7.457 7.457 7.917 -0.460 25260 997 1 13 . 1 1 2 2 ILE N N 2 123.472 123.472 121.863 1.609 25260 998 1 13 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.897 0.080 25260 999 1 13 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.385 -4.308 25260 1000 1 13 . 1 1 2 2 ILE H H 2 8.536 8.536 8.609 -0.073 25260 1001 1 13 . 1 1 3 3 VAL N N 3 125.510 125.510 119.292 6.218 25260 1002 1 13 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.857 -0.172 25260 1003 1 13 . 1 1 3 3 VAL CA C 3 65.327 65.327 66.015 -0.688 25260 1004 1 13 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.641 0.423 25260 1005 1 13 . 1 1 3 3 VAL H H 3 8.149 8.149 7.953 0.196 25260 1006 1 13 . 1 1 4 4 GLU N N 4 125.884 125.884 119.580 6.304 25260 1007 1 13 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.043 0.232 25260 1008 1 13 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.954 -2.640 25260 1009 1 13 . 1 1 4 4 GLU CB C 4 27.989 27.989 28.918 -0.929 25260 1010 1 13 . 1 1 4 4 GLU H H 4 8.161 8.161 7.885 0.276 25260 1011 1 13 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.074 0.026 25260 1012 1 13 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.371 -0.526 25260 1013 1 13 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.757 0.568 25260 1014 1 13 . 1 1 5 5 GLN H H 5 8.299 8.299 8.247 0.052 25260 1015 1 13 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.558 0.388 25260 1016 1 13 . 1 1 6 6 CYS H H 6 8.337 8.337 8.075 0.262 25260 1017 1 13 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.291 0.578 25260 1018 1 13 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.512 -4.276 25260 1019 1 13 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.387 11.607 25260 1020 1 13 . 1 1 7 7 CYS H H 7 8.297 8.297 8.366 -0.069 25260 1021 1 13 . 1 1 8 8 THR N N 8 122.151 122.151 113.075 9.076 25260 1022 1 13 . 1 1 8 8 THR HA H 8 4.087 4.087 4.300 -0.213 25260 1023 1 13 . 1 1 8 8 THR CA C 8 64.845 64.845 63.304 1.541 25260 1024 1 13 . 1 1 8 8 THR CB C 8 68.652 68.652 68.941 -0.289 25260 1025 1 13 . 1 1 8 8 THR H H 8 8.270 8.270 8.548 -0.278 25260 1026 1 13 . 1 1 9 9 SER HA H 9 4.801 4.801 4.665 0.136 25260 1027 1 13 . 1 1 9 9 SER CA C 9 56.219 56.219 56.697 -0.478 25260 1028 1 13 . 1 1 9 9 SER CB C 9 64.263 64.263 65.142 -0.879 25260 1029 1 13 . 1 1 9 9 SER H H 9 7.471 7.471 7.758 -0.287 25260 1030 1 13 . 1 1 10 10 ILE N N 10 119.738 119.738 121.264 -1.526 25260 1031 1 13 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.178 0.200 25260 1032 1 13 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.685 -0.603 25260 1033 1 13 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.241 2.000 25260 1034 1 13 . 1 1 10 10 ILE H H 10 7.857 7.857 8.204 -0.347 25260 1035 1 13 . 1 1 11 11 CYS H H 11 9.732 9.732 8.732 1.000 25260 1036 1 13 . 1 1 12 12 SER N N 12 119.584 119.584 121.145 -1.561 25260 1037 1 13 . 1 1 12 12 SER HA H 12 4.616 4.616 4.594 0.022 25260 1038 1 13 . 1 1 12 12 SER CA C 12 56.713 56.713 57.284 -0.571 25260 1039 1 13 . 1 1 12 12 SER CB C 12 65.844 65.844 64.607 1.237 25260 1040 1 13 . 1 1 12 12 SER H H 12 8.788 8.788 8.465 0.323 25260 1041 1 13 . 1 1 13 13 LEU N N 13 123.958 123.958 117.548 6.410 25260 1042 1 13 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.028 -0.157 25260 1043 1 13 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.403 1.099 25260 1044 1 13 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.945 0.388 25260 1045 1 13 . 1 1 13 13 LEU H H 13 8.647 8.647 8.439 0.208 25260 1046 1 13 . 1 1 14 14 TYR N N 14 117.677 117.677 116.176 1.501 25260 1047 1 13 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.644 -0.468 25260 1048 1 13 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.101 0.116 25260 1049 1 13 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.478 0.360 25260 1050 1 13 . 1 1 14 14 TYR H H 14 7.509 7.509 7.139 0.370 25260 1051 1 13 . 1 1 15 15 GLN N N 15 120.146 120.146 117.586 2.560 25260 1052 1 13 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.192 -0.187 25260 1053 1 13 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.499 0.175 25260 1054 1 13 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.997 0.199 25260 1055 1 13 . 1 1 15 15 GLN H H 15 7.576 7.576 7.669 -0.093 25260 1056 1 13 . 1 1 16 16 LEU N N 16 122.310 122.310 120.833 1.477 25260 1057 1 13 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.324 -0.133 25260 1058 1 13 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.782 0.531 25260 1059 1 13 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.675 0.519 25260 1060 1 13 . 1 1 16 16 LEU H H 16 8.116 8.116 8.151 -0.035 25260 1061 1 13 . 1 1 17 17 GLU N N 17 116.342 116.342 119.192 -2.850 25260 1062 1 13 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.054 0.156 25260 1063 1 13 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.324 -1.580 25260 1064 1 13 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.101 -1.353 25260 1065 1 13 . 1 1 17 17 GLU H H 17 8.099 8.099 8.115 -0.016 25260 1066 1 13 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.591 -0.090 25260 1067 1 13 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.598 -0.654 25260 1068 1 13 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.442 0.151 25260 1069 1 13 . 1 1 18 18 ASN H H 18 7.447 7.447 7.811 -0.364 25260 1070 1 13 . 1 1 19 19 TYR N N 19 118.955 118.955 117.092 1.863 25260 1071 1 13 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.418 0.062 25260 1072 1 13 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.161 0.049 25260 1073 1 13 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.258 0.039 25260 1074 1 13 . 1 1 19 19 TYR H H 19 7.934 7.934 7.900 0.034 25260 1075 1 13 . 1 1 20 20 CYS N N 20 118.333 118.333 120.078 -1.745 25260 1076 1 13 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.464 0.439 25260 1077 1 13 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.454 -5.552 25260 1078 1 13 . 1 1 20 20 CYS CB C 20 36.186 36.186 26.505 9.681 25260 1079 1 13 . 1 1 20 20 CYS H H 20 7.457 7.457 7.746 -0.289 25260 1080 1 14 . 1 1 2 2 ILE N N 2 123.472 123.472 121.932 1.540 25260 1081 1 14 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.759 0.218 25260 1082 1 14 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.405 -4.328 25260 1083 1 14 . 1 1 2 2 ILE H H 2 8.536 8.536 8.520 0.016 25260 1084 1 14 . 1 1 3 3 VAL N N 3 125.510 125.510 120.475 5.035 25260 1085 1 14 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.014 -0.329 25260 1086 1 14 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.284 0.043 25260 1087 1 14 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.493 0.571 25260 1088 1 14 . 1 1 3 3 VAL H H 3 8.149 8.149 8.037 0.112 25260 1089 1 14 . 1 1 4 4 GLU N N 4 125.884 125.884 119.785 6.099 25260 1090 1 14 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.021 0.254 25260 1091 1 14 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.880 -2.566 25260 1092 1 14 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.506 -1.517 25260 1093 1 14 . 1 1 4 4 GLU H H 4 8.161 8.161 8.363 -0.202 25260 1094 1 14 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.112 -0.012 25260 1095 1 14 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.699 -0.854 25260 1096 1 14 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.785 0.540 25260 1097 1 14 . 1 1 5 5 GLN H H 5 8.299 8.299 8.288 0.011 25260 1098 1 14 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.451 0.495 25260 1099 1 14 . 1 1 6 6 CYS H H 6 8.337 8.337 7.940 0.397 25260 1100 1 14 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.355 0.514 25260 1101 1 14 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.760 -4.524 25260 1102 1 14 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.911 12.083 25260 1103 1 14 . 1 1 7 7 CYS H H 7 8.297 8.297 8.180 0.117 25260 1104 1 14 . 1 1 8 8 THR N N 8 122.151 122.151 114.878 7.273 25260 1105 1 14 . 1 1 8 8 THR HA H 8 4.087 4.087 4.288 -0.201 25260 1106 1 14 . 1 1 8 8 THR CA C 8 64.845 64.845 64.145 0.700 25260 1107 1 14 . 1 1 8 8 THR CB C 8 68.652 68.652 69.406 -0.754 25260 1108 1 14 . 1 1 8 8 THR H H 8 8.270 8.270 8.318 -0.048 25260 1109 1 14 . 1 1 9 9 SER HA H 9 4.801 4.801 4.688 0.113 25260 1110 1 14 . 1 1 9 9 SER CA C 9 56.219 56.219 56.986 -0.767 25260 1111 1 14 . 1 1 9 9 SER CB C 9 64.263 64.263 66.115 -1.852 25260 1112 1 14 . 1 1 9 9 SER H H 9 7.471 7.471 7.763 -0.292 25260 1113 1 14 . 1 1 10 10 ILE N N 10 119.738 119.738 122.031 -2.293 25260 1114 1 14 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.206 0.172 25260 1115 1 14 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.365 -0.283 25260 1116 1 14 . 1 1 10 10 ILE CB C 10 39.241 39.241 38.446 0.796 25260 1117 1 14 . 1 1 10 10 ILE H H 10 7.857 7.857 8.355 -0.498 25260 1118 1 14 . 1 1 11 11 CYS H H 11 9.732 9.732 8.902 0.830 25260 1119 1 14 . 1 1 12 12 SER N N 12 119.584 119.584 121.013 -1.429 25260 1120 1 14 . 1 1 12 12 SER HA H 12 4.616 4.616 4.551 0.065 25260 1121 1 14 . 1 1 12 12 SER CA C 12 56.713 56.713 57.425 -0.711 25260 1122 1 14 . 1 1 12 12 SER CB C 12 65.844 65.844 64.397 1.447 25260 1123 1 14 . 1 1 12 12 SER H H 12 8.788 8.788 8.569 0.219 25260 1124 1 14 . 1 1 13 13 LEU N N 13 123.958 123.958 119.096 4.862 25260 1125 1 14 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.017 -0.146 25260 1126 1 14 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.611 0.891 25260 1127 1 14 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.662 0.671 25260 1128 1 14 . 1 1 13 13 LEU H H 13 8.647 8.647 8.506 0.141 25260 1129 1 14 . 1 1 14 14 TYR N N 14 117.677 117.677 116.524 1.153 25260 1130 1 14 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.700 -0.524 25260 1131 1 14 . 1 1 14 14 TYR CA C 14 60.217 60.217 59.713 0.504 25260 1132 1 14 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.359 0.479 25260 1133 1 14 . 1 1 14 14 TYR H H 14 7.509 7.509 7.336 0.173 25260 1134 1 14 . 1 1 15 15 GLN N N 15 120.146 120.146 117.424 2.722 25260 1135 1 14 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.207 -0.202 25260 1136 1 14 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.113 0.561 25260 1137 1 14 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.828 0.368 25260 1138 1 14 . 1 1 15 15 GLN H H 15 7.576 7.576 7.599 -0.023 25260 1139 1 14 . 1 1 16 16 LEU N N 16 122.310 122.310 120.741 1.569 25260 1140 1 14 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.268 -0.077 25260 1141 1 14 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.857 0.456 25260 1142 1 14 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.526 0.668 25260 1143 1 14 . 1 1 16 16 LEU H H 16 8.116 8.116 8.507 -0.391 25260 1144 1 14 . 1 1 17 17 GLU N N 17 116.342 116.342 119.544 -3.202 25260 1145 1 14 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.094 0.116 25260 1146 1 14 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.089 -1.345 25260 1147 1 14 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.114 -1.366 25260 1148 1 14 . 1 1 17 17 GLU H H 17 8.099 8.099 8.126 -0.027 25260 1149 1 14 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.503 -0.002 25260 1150 1 14 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.757 -0.813 25260 1151 1 14 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.417 0.176 25260 1152 1 14 . 1 1 18 18 ASN H H 18 7.447 7.447 7.842 -0.395 25260 1153 1 14 . 1 1 19 19 TYR N N 19 118.955 118.955 117.814 1.141 25260 1154 1 14 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.458 0.022 25260 1155 1 14 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.672 -0.462 25260 1156 1 14 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.761 -0.464 25260 1157 1 14 . 1 1 19 19 TYR H H 19 7.934 7.934 7.971 -0.037 25260 1158 1 14 . 1 1 20 20 CYS N N 20 118.333 118.333 120.624 -2.291 25260 1159 1 14 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.452 0.451 25260 1160 1 14 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.062 -4.160 25260 1161 1 14 . 1 1 20 20 CYS CB C 20 36.186 36.186 24.628 11.558 25260 1162 1 14 . 1 1 20 20 CYS H H 20 7.457 7.457 7.878 -0.421 25260 1163 1 15 . 1 1 2 2 ILE N N 2 123.472 123.472 120.895 2.577 25260 1164 1 15 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.858 0.119 25260 1165 1 15 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.453 -4.376 25260 1166 1 15 . 1 1 2 2 ILE H H 2 8.536 8.536 8.298 0.238 25260 1167 1 15 . 1 1 3 3 VAL N N 3 125.510 125.510 119.818 5.692 25260 1168 1 15 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.923 -0.238 25260 1169 1 15 . 1 1 3 3 VAL CA C 3 65.327 65.327 64.739 0.588 25260 1170 1 15 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.739 0.325 25260 1171 1 15 . 1 1 3 3 VAL H H 3 8.149 8.149 8.043 0.106 25260 1172 1 15 . 1 1 4 4 GLU N N 4 125.884 125.884 119.278 6.606 25260 1173 1 15 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.948 0.327 25260 1174 1 15 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.594 -2.280 25260 1175 1 15 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.355 -1.366 25260 1176 1 15 . 1 1 4 4 GLU H H 4 8.161 8.161 7.702 0.459 25260 1177 1 15 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.144 -0.044 25260 1178 1 15 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.657 0.188 25260 1179 1 15 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.386 0.939 25260 1180 1 15 . 1 1 5 5 GLN H H 5 8.299 8.299 7.874 0.425 25260 1181 1 15 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.628 0.318 25260 1182 1 15 . 1 1 6 6 CYS H H 6 8.337 8.337 7.893 0.444 25260 1183 1 15 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.349 0.520 25260 1184 1 15 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.222 -3.986 25260 1185 1 15 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.360 11.634 25260 1186 1 15 . 1 1 7 7 CYS H H 7 8.297 8.297 8.151 0.146 25260 1187 1 15 . 1 1 8 8 THR N N 8 122.151 122.151 112.939 9.212 25260 1188 1 15 . 1 1 8 8 THR HA H 8 4.087 4.087 4.289 -0.202 25260 1189 1 15 . 1 1 8 8 THR CA C 8 64.845 64.845 63.724 1.121 25260 1190 1 15 . 1 1 8 8 THR CB C 8 68.652 68.652 69.174 -0.522 25260 1191 1 15 . 1 1 8 8 THR H H 8 8.270 8.270 8.245 0.025 25260 1192 1 15 . 1 1 9 9 SER HA H 9 4.801 4.801 4.728 0.073 25260 1193 1 15 . 1 1 9 9 SER CA C 9 56.219 56.219 57.002 -0.783 25260 1194 1 15 . 1 1 9 9 SER CB C 9 64.263 64.263 65.629 -1.366 25260 1195 1 15 . 1 1 9 9 SER H H 9 7.471 7.471 8.018 -0.547 25260 1196 1 15 . 1 1 10 10 ILE N N 10 119.738 119.738 122.642 -2.904 25260 1197 1 15 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.102 0.276 25260 1198 1 15 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.047 -0.965 25260 1199 1 15 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.750 2.491 25260 1200 1 15 . 1 1 10 10 ILE H H 10 7.857 7.857 8.372 -0.515 25260 1201 1 15 . 1 1 11 11 CYS H H 11 9.732 9.732 8.875 0.857 25260 1202 1 15 . 1 1 12 12 SER N N 12 119.584 119.584 119.269 0.315 25260 1203 1 15 . 1 1 12 12 SER HA H 12 4.616 4.616 4.581 0.035 25260 1204 1 15 . 1 1 12 12 SER CA C 12 56.713 56.713 57.205 -0.492 25260 1205 1 15 . 1 1 12 12 SER CB C 12 65.844 65.844 64.488 1.356 25260 1206 1 15 . 1 1 12 12 SER H H 12 8.788 8.788 8.533 0.255 25260 1207 1 15 . 1 1 13 13 LEU N N 13 123.958 123.958 119.954 4.004 25260 1208 1 15 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.018 -0.147 25260 1209 1 15 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.380 1.122 25260 1210 1 15 . 1 1 13 13 LEU CB C 13 41.333 41.333 41.189 0.144 25260 1211 1 15 . 1 1 13 13 LEU H H 13 8.647 8.647 8.582 0.065 25260 1212 1 15 . 1 1 14 14 TYR N N 14 117.677 117.677 116.875 0.802 25260 1213 1 15 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.584 -0.408 25260 1214 1 15 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.513 -0.296 25260 1215 1 15 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.392 0.445 25260 1216 1 15 . 1 1 14 14 TYR H H 14 7.509 7.509 7.261 0.248 25260 1217 1 15 . 1 1 15 15 GLN N N 15 120.146 120.146 117.910 2.236 25260 1218 1 15 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.210 -0.205 25260 1219 1 15 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.215 0.459 25260 1220 1 15 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.558 0.638 25260 1221 1 15 . 1 1 15 15 GLN H H 15 7.576 7.576 7.816 -0.240 25260 1222 1 15 . 1 1 16 16 LEU N N 16 122.310 122.310 120.987 1.323 25260 1223 1 15 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.176 0.015 25260 1224 1 15 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.786 0.527 25260 1225 1 15 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.633 0.561 25260 1226 1 15 . 1 1 16 16 LEU H H 16 8.116 8.116 8.225 -0.109 25260 1227 1 15 . 1 1 17 17 GLU N N 17 116.342 116.342 119.154 -2.812 25260 1228 1 15 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.029 0.181 25260 1229 1 15 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.411 -1.667 25260 1230 1 15 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.201 -1.453 25260 1231 1 15 . 1 1 17 17 GLU H H 17 8.099 8.099 8.405 -0.306 25260 1232 1 15 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.543 -0.042 25260 1233 1 15 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.689 -0.745 25260 1234 1 15 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.299 0.294 25260 1235 1 15 . 1 1 18 18 ASN H H 18 7.447 7.447 7.835 -0.388 25260 1236 1 15 . 1 1 19 19 TYR N N 19 118.955 118.955 119.236 -0.281 25260 1237 1 15 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.402 0.078 25260 1238 1 15 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.562 -1.352 25260 1239 1 15 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.444 -0.147 25260 1240 1 15 . 1 1 19 19 TYR H H 19 7.934 7.934 8.120 -0.186 25260 1241 1 15 . 1 1 20 20 CYS N N 20 118.333 118.333 118.597 -0.264 25260 1242 1 15 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.752 0.151 25260 1243 1 15 . 1 1 20 20 CYS CA C 20 53.902 53.902 57.911 -4.009 25260 1244 1 15 . 1 1 20 20 CYS CB C 20 36.186 36.186 26.258 9.928 25260 1245 1 15 . 1 1 20 20 CYS H H 20 7.457 7.457 7.873 -0.416 25260 1246 1 16 . 1 1 2 2 ILE N N 2 123.472 123.472 121.297 2.175 25260 1247 1 16 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.897 0.080 25260 1248 1 16 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.471 -4.394 25260 1249 1 16 . 1 1 2 2 ILE H H 2 8.536 8.536 8.482 0.054 25260 1250 1 16 . 1 1 3 3 VAL N N 3 125.510 125.510 119.776 5.734 25260 1251 1 16 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.985 -0.300 25260 1252 1 16 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.619 -0.292 25260 1253 1 16 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.705 0.359 25260 1254 1 16 . 1 1 3 3 VAL H H 3 8.149 8.149 8.133 0.017 25260 1255 1 16 . 1 1 4 4 GLU N N 4 125.884 125.884 119.714 6.170 25260 1256 1 16 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.967 0.308 25260 1257 1 16 . 1 1 4 4 GLU CA C 4 57.314 57.314 60.231 -2.917 25260 1258 1 16 . 1 1 4 4 GLU CB C 4 27.989 27.989 28.995 -1.006 25260 1259 1 16 . 1 1 4 4 GLU H H 4 8.161 8.161 7.975 0.186 25260 1260 1 16 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.049 0.051 25260 1261 1 16 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.032 -0.188 25260 1262 1 16 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.824 0.501 25260 1263 1 16 . 1 1 5 5 GLN H H 5 8.299 8.299 7.891 0.408 25260 1264 1 16 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.400 0.546 25260 1265 1 16 . 1 1 6 6 CYS H H 6 8.337 8.337 7.879 0.458 25260 1266 1 16 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.273 0.596 25260 1267 1 16 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.561 -4.325 25260 1268 1 16 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.826 12.168 25260 1269 1 16 . 1 1 7 7 CYS H H 7 8.297 8.297 8.500 -0.203 25260 1270 1 16 . 1 1 8 8 THR N N 8 122.151 122.151 113.229 8.922 25260 1271 1 16 . 1 1 8 8 THR HA H 8 4.087 4.087 4.328 -0.241 25260 1272 1 16 . 1 1 8 8 THR CA C 8 64.845 64.845 64.229 0.616 25260 1273 1 16 . 1 1 8 8 THR CB C 8 68.652 68.652 69.441 -0.789 25260 1274 1 16 . 1 1 8 8 THR H H 8 8.270 8.270 8.280 -0.010 25260 1275 1 16 . 1 1 9 9 SER HA H 9 4.801 4.801 4.714 0.087 25260 1276 1 16 . 1 1 9 9 SER CA C 9 56.219 56.219 56.592 -0.373 25260 1277 1 16 . 1 1 9 9 SER CB C 9 64.263 64.263 64.722 -0.459 25260 1278 1 16 . 1 1 9 9 SER H H 9 7.471 7.471 7.696 -0.225 25260 1279 1 16 . 1 1 10 10 ILE N N 10 119.738 119.738 122.658 -2.920 25260 1280 1 16 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.323 0.055 25260 1281 1 16 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.197 -0.115 25260 1282 1 16 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.435 2.806 25260 1283 1 16 . 1 1 10 10 ILE H H 10 7.857 7.857 8.281 -0.424 25260 1284 1 16 . 1 1 11 11 CYS H H 11 9.732 9.732 8.408 1.324 25260 1285 1 16 . 1 1 12 12 SER N N 12 119.584 119.584 118.272 1.312 25260 1286 1 16 . 1 1 12 12 SER HA H 12 4.616 4.616 4.639 -0.023 25260 1287 1 16 . 1 1 12 12 SER CA C 12 56.713 56.713 57.208 -0.495 25260 1288 1 16 . 1 1 12 12 SER CB C 12 65.844 65.844 64.810 1.034 25260 1289 1 16 . 1 1 12 12 SER H H 12 8.788 8.788 8.533 0.255 25260 1290 1 16 . 1 1 13 13 LEU N N 13 123.958 123.958 118.923 5.035 25260 1291 1 16 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.092 -0.221 25260 1292 1 16 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.467 1.035 25260 1293 1 16 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.563 0.770 25260 1294 1 16 . 1 1 13 13 LEU H H 13 8.647 8.647 8.527 0.120 25260 1295 1 16 . 1 1 14 14 TYR N N 14 117.677 117.677 117.319 0.358 25260 1296 1 16 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.339 -0.163 25260 1297 1 16 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.152 0.065 25260 1298 1 16 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.405 0.433 25260 1299 1 16 . 1 1 14 14 TYR H H 14 7.509 7.509 7.474 0.035 25260 1300 1 16 . 1 1 15 15 GLN N N 15 120.146 120.146 118.208 1.938 25260 1301 1 16 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.147 -0.142 25260 1302 1 16 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.627 0.047 25260 1303 1 16 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.833 0.363 25260 1304 1 16 . 1 1 15 15 GLN H H 15 7.576 7.576 7.596 -0.020 25260 1305 1 16 . 1 1 16 16 LEU N N 16 122.310 122.310 120.910 1.400 25260 1306 1 16 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.280 -0.089 25260 1307 1 16 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.937 0.376 25260 1308 1 16 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.702 0.492 25260 1309 1 16 . 1 1 16 16 LEU H H 16 8.116 8.116 8.291 -0.175 25260 1310 1 16 . 1 1 17 17 GLU N N 17 116.342 116.342 119.058 -2.716 25260 1311 1 16 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.119 0.091 25260 1312 1 16 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.025 -1.281 25260 1313 1 16 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.177 -1.429 25260 1314 1 16 . 1 1 17 17 GLU H H 17 8.099 8.099 8.080 0.019 25260 1315 1 16 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.803 -0.302 25260 1316 1 16 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.231 -0.287 25260 1317 1 16 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.222 0.371 25260 1318 1 16 . 1 1 18 18 ASN H H 18 7.447 7.447 7.988 -0.541 25260 1319 1 16 . 1 1 19 19 TYR N N 19 118.955 118.955 119.321 -0.366 25260 1320 1 16 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.388 0.092 25260 1321 1 16 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.469 -1.259 25260 1322 1 16 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.440 -0.143 25260 1323 1 16 . 1 1 19 19 TYR H H 19 7.934 7.934 8.010 -0.076 25260 1324 1 16 . 1 1 20 20 CYS N N 20 118.333 118.333 114.803 3.530 25260 1325 1 16 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.855 0.048 25260 1326 1 16 . 1 1 20 20 CYS CA C 20 53.902 53.902 56.877 -2.975 25260 1327 1 16 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.476 8.710 25260 1328 1 16 . 1 1 20 20 CYS H H 20 7.457 7.457 7.840 -0.383 25260 1329 1 17 . 1 1 2 2 ILE N N 2 123.472 123.472 121.594 1.878 25260 1330 1 17 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.809 0.168 25260 1331 1 17 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.423 -4.346 25260 1332 1 17 . 1 1 2 2 ILE H H 2 8.536 8.536 8.560 -0.024 25260 1333 1 17 . 1 1 3 3 VAL N N 3 125.510 125.510 120.181 5.329 25260 1334 1 17 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.103 -0.418 25260 1335 1 17 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.909 -0.582 25260 1336 1 17 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.174 0.890 25260 1337 1 17 . 1 1 3 3 VAL H H 3 8.149 8.149 8.223 -0.074 25260 1338 1 17 . 1 1 4 4 GLU N N 4 125.884 125.884 120.351 5.533 25260 1339 1 17 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.013 0.262 25260 1340 1 17 . 1 1 4 4 GLU CA C 4 57.314 57.314 60.260 -2.946 25260 1341 1 17 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.013 -1.024 25260 1342 1 17 . 1 1 4 4 GLU H H 4 8.161 8.161 7.825 0.336 25260 1343 1 17 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.120 -0.020 25260 1344 1 17 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.990 -0.145 25260 1345 1 17 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.433 0.891 25260 1346 1 17 . 1 1 5 5 GLN H H 5 8.299 8.299 8.472 -0.173 25260 1347 1 17 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.315 0.631 25260 1348 1 17 . 1 1 6 6 CYS H H 6 8.337 8.337 8.034 0.303 25260 1349 1 17 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.294 0.575 25260 1350 1 17 . 1 1 7 7 CYS CA C 7 57.236 57.236 62.075 -4.839 25260 1351 1 17 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.810 12.184 25260 1352 1 17 . 1 1 7 7 CYS H H 7 8.297 8.297 8.448 -0.151 25260 1353 1 17 . 1 1 8 8 THR N N 8 122.151 122.151 113.227 8.924 25260 1354 1 17 . 1 1 8 8 THR HA H 8 4.087 4.087 4.417 -0.330 25260 1355 1 17 . 1 1 8 8 THR CA C 8 64.845 64.845 63.859 0.986 25260 1356 1 17 . 1 1 8 8 THR CB C 8 68.652 68.652 69.409 -0.757 25260 1357 1 17 . 1 1 8 8 THR H H 8 8.270 8.270 8.215 0.055 25260 1358 1 17 . 1 1 9 9 SER HA H 9 4.801 4.801 4.682 0.119 25260 1359 1 17 . 1 1 9 9 SER CA C 9 56.219 56.219 56.634 -0.415 25260 1360 1 17 . 1 1 9 9 SER CB C 9 64.263 64.263 65.058 -0.796 25260 1361 1 17 . 1 1 9 9 SER H H 9 7.471 7.471 7.674 -0.203 25260 1362 1 17 . 1 1 10 10 ILE N N 10 119.738 119.738 122.187 -2.449 25260 1363 1 17 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.084 0.294 25260 1364 1 17 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.119 -1.037 25260 1365 1 17 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.600 2.641 25260 1366 1 17 . 1 1 10 10 ILE H H 10 7.857 7.857 8.339 -0.482 25260 1367 1 17 . 1 1 11 11 CYS H H 11 9.732 9.732 8.891 0.841 25260 1368 1 17 . 1 1 12 12 SER N N 12 119.584 119.584 119.802 -0.218 25260 1369 1 17 . 1 1 12 12 SER HA H 12 4.616 4.616 4.433 0.183 25260 1370 1 17 . 1 1 12 12 SER CA C 12 56.713 56.713 58.040 -1.327 25260 1371 1 17 . 1 1 12 12 SER CB C 12 65.844 65.844 64.160 1.684 25260 1372 1 17 . 1 1 12 12 SER H H 12 8.788 8.788 7.850 0.938 25260 1373 1 17 . 1 1 13 13 LEU N N 13 123.958 123.958 120.611 3.347 25260 1374 1 17 . 1 1 13 13 LEU HA H 13 3.871 3.871 3.992 -0.121 25260 1375 1 17 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.921 0.581 25260 1376 1 17 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.685 0.648 25260 1377 1 17 . 1 1 13 13 LEU H H 13 8.647 8.647 8.563 0.084 25260 1378 1 17 . 1 1 14 14 TYR N N 14 117.677 117.677 117.227 0.450 25260 1379 1 17 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.702 -0.526 25260 1380 1 17 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.270 -0.053 25260 1381 1 17 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.301 0.537 25260 1382 1 17 . 1 1 14 14 TYR H H 14 7.509 7.509 7.487 0.022 25260 1383 1 17 . 1 1 15 15 GLN N N 15 120.146 120.146 117.983 2.163 25260 1384 1 17 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.195 -0.190 25260 1385 1 17 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.281 0.393 25260 1386 1 17 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.552 0.644 25260 1387 1 17 . 1 1 15 15 GLN H H 15 7.576 7.576 7.848 -0.272 25260 1388 1 17 . 1 1 16 16 LEU N N 16 122.310 122.310 121.066 1.244 25260 1389 1 17 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.233 -0.042 25260 1390 1 17 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.968 0.345 25260 1391 1 17 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.796 0.398 25260 1392 1 17 . 1 1 16 16 LEU H H 16 8.116 8.116 8.174 -0.058 25260 1393 1 17 . 1 1 17 17 GLU N N 17 116.342 116.342 118.924 -2.582 25260 1394 1 17 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.064 0.146 25260 1395 1 17 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.303 -1.559 25260 1396 1 17 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.259 -1.510 25260 1397 1 17 . 1 1 17 17 GLU H H 17 8.099 8.099 8.452 -0.353 25260 1398 1 17 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.577 -0.076 25260 1399 1 17 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.516 -0.572 25260 1400 1 17 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.467 0.126 25260 1401 1 17 . 1 1 18 18 ASN H H 18 7.447 7.447 7.826 -0.379 25260 1402 1 17 . 1 1 19 19 TYR N N 19 118.955 118.955 117.499 1.456 25260 1403 1 17 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.415 0.065 25260 1404 1 17 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.506 -0.296 25260 1405 1 17 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.628 -0.331 25260 1406 1 17 . 1 1 19 19 TYR H H 19 7.934 7.934 7.734 0.200 25260 1407 1 17 . 1 1 20 20 CYS N N 20 118.333 118.333 120.340 -2.007 25260 1408 1 17 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.453 0.450 25260 1409 1 17 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.541 -5.639 25260 1410 1 17 . 1 1 20 20 CYS CB C 20 36.186 36.186 25.229 10.957 25260 1411 1 17 . 1 1 20 20 CYS H H 20 7.457 7.457 7.620 -0.163 25260 1412 1 18 . 1 1 2 2 ILE N N 2 123.472 123.472 120.954 2.518 25260 1413 1 18 . 1 1 2 2 ILE HA H 2 3.977 3.977 4.175 -0.198 25260 1414 1 18 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.416 -4.339 25260 1415 1 18 . 1 1 2 2 ILE H H 2 8.536 8.536 8.518 0.019 25260 1416 1 18 . 1 1 3 3 VAL N N 3 125.510 125.510 119.106 6.404 25260 1417 1 18 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.946 -0.261 25260 1418 1 18 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.851 -0.524 25260 1419 1 18 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.673 0.391 25260 1420 1 18 . 1 1 3 3 VAL H H 3 8.149 8.149 7.949 0.200 25260 1421 1 18 . 1 1 4 4 GLU N N 4 125.884 125.884 119.512 6.372 25260 1422 1 18 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.031 0.244 25260 1423 1 18 . 1 1 4 4 GLU CA C 4 57.314 57.314 60.133 -2.820 25260 1424 1 18 . 1 1 4 4 GLU CB C 4 27.989 27.989 28.833 -0.844 25260 1425 1 18 . 1 1 4 4 GLU H H 4 8.161 8.161 8.179 -0.018 25260 1426 1 18 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.083 0.017 25260 1427 1 18 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.067 -0.222 25260 1428 1 18 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.779 0.546 25260 1429 1 18 . 1 1 5 5 GLN H H 5 8.299 8.299 8.064 0.235 25260 1430 1 18 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.453 0.493 25260 1431 1 18 . 1 1 6 6 CYS H H 6 8.337 8.337 7.640 0.697 25260 1432 1 18 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.287 0.582 25260 1433 1 18 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.553 -4.317 25260 1434 1 18 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.907 12.087 25260 1435 1 18 . 1 1 7 7 CYS H H 7 8.297 8.297 8.563 -0.266 25260 1436 1 18 . 1 1 8 8 THR N N 8 122.151 122.151 114.044 8.107 25260 1437 1 18 . 1 1 8 8 THR HA H 8 4.087 4.087 4.337 -0.250 25260 1438 1 18 . 1 1 8 8 THR CA C 8 64.845 64.845 64.131 0.714 25260 1439 1 18 . 1 1 8 8 THR CB C 8 68.652 68.652 69.116 -0.464 25260 1440 1 18 . 1 1 8 8 THR H H 8 8.270 8.270 8.395 -0.125 25260 1441 1 18 . 1 1 9 9 SER HA H 9 4.801 4.801 4.670 0.131 25260 1442 1 18 . 1 1 9 9 SER CA C 9 56.219 56.219 56.411 -0.192 25260 1443 1 18 . 1 1 9 9 SER CB C 9 64.263 64.263 65.561 -1.298 25260 1444 1 18 . 1 1 9 9 SER H H 9 7.471 7.471 7.472 -0.001 25260 1445 1 18 . 1 1 10 10 ILE N N 10 119.738 119.738 121.162 -1.424 25260 1446 1 18 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.295 0.083 25260 1447 1 18 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.412 -0.330 25260 1448 1 18 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.933 1.308 25260 1449 1 18 . 1 1 10 10 ILE H H 10 7.857 7.857 8.218 -0.361 25260 1450 1 18 . 1 1 11 11 CYS H H 11 9.732 9.732 8.488 1.244 25260 1451 1 18 . 1 1 12 12 SER N N 12 119.584 119.584 116.897 2.687 25260 1452 1 18 . 1 1 12 12 SER HA H 12 4.616 4.616 4.712 -0.096 25260 1453 1 18 . 1 1 12 12 SER CA C 12 56.713 56.713 56.622 0.091 25260 1454 1 18 . 1 1 12 12 SER CB C 12 65.844 65.844 64.696 1.148 25260 1455 1 18 . 1 1 12 12 SER H H 12 8.788 8.788 8.693 0.095 25260 1456 1 18 . 1 1 13 13 LEU N N 13 123.958 123.958 120.765 3.193 25260 1457 1 18 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.103 -0.232 25260 1458 1 18 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.039 1.462 25260 1459 1 18 . 1 1 13 13 LEU CB C 13 41.333 41.333 41.165 0.168 25260 1460 1 18 . 1 1 13 13 LEU H H 13 8.647 8.647 8.534 0.113 25260 1461 1 18 . 1 1 14 14 TYR N N 14 117.677 117.677 117.228 0.449 25260 1462 1 18 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.691 -0.515 25260 1463 1 18 . 1 1 14 14 TYR CA C 14 60.217 60.217 59.966 0.251 25260 1464 1 18 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.343 0.495 25260 1465 1 18 . 1 1 14 14 TYR H H 14 7.509 7.509 7.039 0.470 25260 1466 1 18 . 1 1 15 15 GLN N N 15 120.146 120.146 118.179 1.967 25260 1467 1 18 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.162 -0.157 25260 1468 1 18 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.490 0.184 25260 1469 1 18 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.786 0.410 25260 1470 1 18 . 1 1 15 15 GLN H H 15 7.576 7.576 7.739 -0.163 25260 1471 1 18 . 1 1 16 16 LEU N N 16 122.310 122.310 121.228 1.082 25260 1472 1 18 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.268 -0.077 25260 1473 1 18 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.968 0.345 25260 1474 1 18 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.727 0.467 25260 1475 1 18 . 1 1 16 16 LEU H H 16 8.116 8.116 7.987 0.129 25260 1476 1 18 . 1 1 17 17 GLU N N 17 116.342 116.342 118.826 -2.484 25260 1477 1 18 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.138 0.072 25260 1478 1 18 . 1 1 17 17 GLU CA C 17 57.744 57.744 58.970 -1.226 25260 1479 1 18 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.117 -1.369 25260 1480 1 18 . 1 1 17 17 GLU H H 17 8.099 8.099 8.409 -0.310 25260 1481 1 18 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.533 -0.032 25260 1482 1 18 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.065 -0.121 25260 1483 1 18 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.766 -0.173 25260 1484 1 18 . 1 1 18 18 ASN H H 18 7.447 7.447 7.865 -0.418 25260 1485 1 18 . 1 1 19 19 TYR N N 19 118.955 118.955 116.561 2.394 25260 1486 1 18 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.436 0.044 25260 1487 1 18 . 1 1 19 19 TYR CA C 19 59.210 59.210 58.911 0.299 25260 1488 1 18 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.259 0.038 25260 1489 1 18 . 1 1 19 19 TYR H H 19 7.934 7.934 7.612 0.322 25260 1490 1 18 . 1 1 20 20 CYS N N 20 118.333 118.333 119.845 -1.512 25260 1491 1 18 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.505 0.398 25260 1492 1 18 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.017 -5.115 25260 1493 1 18 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.475 8.711 25260 1494 1 18 . 1 1 20 20 CYS H H 20 7.457 7.457 7.609 -0.152 25260 1495 1 19 . 1 1 2 2 ILE N N 2 123.472 123.472 121.388 2.084 25260 1496 1 19 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.805 0.172 25260 1497 1 19 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.381 -4.304 25260 1498 1 19 . 1 1 2 2 ILE H H 2 8.536 8.536 8.457 0.079 25260 1499 1 19 . 1 1 3 3 VAL N N 3 125.510 125.510 120.557 4.953 25260 1500 1 19 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.928 -0.243 25260 1501 1 19 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.364 -0.037 25260 1502 1 19 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.267 0.797 25260 1503 1 19 . 1 1 3 3 VAL H H 3 8.149 8.149 8.165 -0.016 25260 1504 1 19 . 1 1 4 4 GLU N N 4 125.884 125.884 119.697 6.187 25260 1505 1 19 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.996 0.279 25260 1506 1 19 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.606 -2.292 25260 1507 1 19 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.453 -1.464 25260 1508 1 19 . 1 1 4 4 GLU H H 4 8.161 8.161 7.684 0.477 25260 1509 1 19 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.137 -0.037 25260 1510 1 19 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.520 0.325 25260 1511 1 19 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.075 1.250 25260 1512 1 19 . 1 1 5 5 GLN H H 5 8.299 8.299 8.087 0.212 25260 1513 1 19 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.670 0.276 25260 1514 1 19 . 1 1 6 6 CYS H H 6 8.337 8.337 7.797 0.540 25260 1515 1 19 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.353 0.516 25260 1516 1 19 . 1 1 7 7 CYS CA C 7 57.236 57.236 60.907 -3.671 25260 1517 1 19 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.568 12.426 25260 1518 1 19 . 1 1 7 7 CYS H H 7 8.297 8.297 8.032 0.265 25260 1519 1 19 . 1 1 8 8 THR N N 8 122.151 122.151 113.755 8.396 25260 1520 1 19 . 1 1 8 8 THR HA H 8 4.087 4.087 4.277 -0.191 25260 1521 1 19 . 1 1 8 8 THR CA C 8 64.845 64.845 64.028 0.816 25260 1522 1 19 . 1 1 8 8 THR CB C 8 68.652 68.652 69.356 -0.704 25260 1523 1 19 . 1 1 8 8 THR H H 8 8.270 8.270 8.407 -0.137 25260 1524 1 19 . 1 1 9 9 SER HA H 9 4.801 4.801 4.708 0.093 25260 1525 1 19 . 1 1 9 9 SER CA C 9 56.219 56.219 57.382 -1.163 25260 1526 1 19 . 1 1 9 9 SER CB C 9 64.263 64.263 66.001 -1.738 25260 1527 1 19 . 1 1 9 9 SER H H 9 7.471 7.471 7.796 -0.325 25260 1528 1 19 . 1 1 10 10 ILE N N 10 119.738 119.738 122.543 -2.805 25260 1529 1 19 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.119 0.259 25260 1530 1 19 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.313 -0.231 25260 1531 1 19 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.403 2.838 25260 1532 1 19 . 1 1 10 10 ILE H H 10 7.857 7.857 8.323 -0.466 25260 1533 1 19 . 1 1 11 11 CYS H H 11 9.732 9.732 8.374 1.358 25260 1534 1 19 . 1 1 12 12 SER N N 12 119.584 119.584 119.237 0.347 25260 1535 1 19 . 1 1 12 12 SER HA H 12 4.616 4.616 4.578 0.038 25260 1536 1 19 . 1 1 12 12 SER CA C 12 56.713 56.713 57.197 -0.484 25260 1537 1 19 . 1 1 12 12 SER CB C 12 65.844 65.844 64.573 1.270 25260 1538 1 19 . 1 1 12 12 SER H H 12 8.788 8.788 8.401 0.387 25260 1539 1 19 . 1 1 13 13 LEU N N 13 123.958 123.958 117.887 6.071 25260 1540 1 19 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.030 -0.159 25260 1541 1 19 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.332 1.170 25260 1542 1 19 . 1 1 13 13 LEU CB C 13 41.333 41.333 41.000 0.333 25260 1543 1 19 . 1 1 13 13 LEU H H 13 8.647 8.647 8.497 0.150 25260 1544 1 19 . 1 1 14 14 TYR N N 14 117.677 117.677 117.609 0.068 25260 1545 1 19 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.212 -0.036 25260 1546 1 19 . 1 1 14 14 TYR CA C 14 60.217 60.217 61.294 -1.077 25260 1547 1 19 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.595 0.243 25260 1548 1 19 . 1 1 14 14 TYR H H 14 7.509 7.509 7.133 0.376 25260 1549 1 19 . 1 1 15 15 GLN N N 15 120.146 120.146 117.759 2.387 25260 1550 1 19 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.236 -0.231 25260 1551 1 19 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.721 0.953 25260 1552 1 19 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.382 0.814 25260 1553 1 19 . 1 1 15 15 GLN H H 15 7.576 7.576 7.648 -0.072 25260 1554 1 19 . 1 1 16 16 LEU N N 16 122.310 122.310 120.765 1.545 25260 1555 1 19 . 1 1 16 16 LEU HA H 16 4.191 4.191 3.790 0.401 25260 1556 1 19 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.754 0.559 25260 1557 1 19 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.295 0.899 25260 1558 1 19 . 1 1 16 16 LEU H H 16 8.116 8.116 8.364 -0.248 25260 1559 1 19 . 1 1 17 17 GLU N N 17 116.342 116.342 119.093 -2.751 25260 1560 1 19 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.082 0.128 25260 1561 1 19 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.203 -1.459 25260 1562 1 19 . 1 1 17 17 GLU CB C 17 27.748 27.748 28.881 -1.133 25260 1563 1 19 . 1 1 17 17 GLU H H 17 8.099 8.099 8.155 -0.056 25260 1564 1 19 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.603 -0.102 25260 1565 1 19 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.626 -0.682 25260 1566 1 19 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.455 0.138 25260 1567 1 19 . 1 1 18 18 ASN H H 18 7.447 7.447 7.987 -0.540 25260 1568 1 19 . 1 1 19 19 TYR N N 19 118.955 118.955 119.867 -0.912 25260 1569 1 19 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.433 0.047 25260 1570 1 19 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.550 -1.340 25260 1571 1 19 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.250 0.047 25260 1572 1 19 . 1 1 19 19 TYR H H 19 7.934 7.934 8.335 -0.401 25260 1573 1 19 . 1 1 20 20 CYS N N 20 118.333 118.333 114.625 3.708 25260 1574 1 19 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.888 0.015 25260 1575 1 19 . 1 1 20 20 CYS CA C 20 53.902 53.902 56.596 -2.694 25260 1576 1 19 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.552 8.634 25260 1577 1 19 . 1 1 20 20 CYS H H 20 7.457 7.457 7.931 -0.474 25260 1578 1 20 . 1 1 2 2 ILE N N 2 123.472 123.472 123.102 0.370 25260 1579 1 20 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.894 0.083 25260 1580 1 20 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.376 -4.299 25260 1581 1 20 . 1 1 2 2 ILE H H 2 8.536 8.536 8.509 0.027 25260 1582 1 20 . 1 1 3 3 VAL N N 3 125.510 125.510 121.190 4.320 25260 1583 1 20 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.907 -0.222 25260 1584 1 20 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.456 -0.129 25260 1585 1 20 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.110 0.954 25260 1586 1 20 . 1 1 3 3 VAL H H 3 8.149 8.149 8.031 0.118 25260 1587 1 20 . 1 1 4 4 GLU N N 4 125.884 125.884 119.943 5.941 25260 1588 1 20 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.005 0.270 25260 1589 1 20 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.217 -1.903 25260 1590 1 20 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.274 -1.285 25260 1591 1 20 . 1 1 4 4 GLU H H 4 8.161 8.161 7.908 0.253 25260 1592 1 20 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.123 -0.023 25260 1593 1 20 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.034 -0.189 25260 1594 1 20 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.948 0.377 25260 1595 1 20 . 1 1 5 5 GLN H H 5 8.299 8.299 8.065 0.234 25260 1596 1 20 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.541 0.405 25260 1597 1 20 . 1 1 6 6 CYS H H 6 8.337 8.337 7.755 0.582 25260 1598 1 20 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.299 0.570 25260 1599 1 20 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.696 -4.460 25260 1600 1 20 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.259 11.735 25260 1601 1 20 . 1 1 7 7 CYS H H 7 8.297 8.297 8.253 0.044 25260 1602 1 20 . 1 1 8 8 THR N N 8 122.151 122.151 113.119 9.032 25260 1603 1 20 . 1 1 8 8 THR HA H 8 4.087 4.087 4.389 -0.302 25260 1604 1 20 . 1 1 8 8 THR CA C 8 64.845 64.845 63.782 1.063 25260 1605 1 20 . 1 1 8 8 THR CB C 8 68.652 68.652 69.395 -0.743 25260 1606 1 20 . 1 1 8 8 THR H H 8 8.270 8.270 8.123 0.147 25260 1607 1 20 . 1 1 9 9 SER HA H 9 4.801 4.801 4.672 0.129 25260 1608 1 20 . 1 1 9 9 SER CA C 9 56.219 56.219 56.768 -0.549 25260 1609 1 20 . 1 1 9 9 SER CB C 9 64.263 64.263 64.964 -0.701 25260 1610 1 20 . 1 1 9 9 SER H H 9 7.471 7.471 7.532 -0.061 25260 1611 1 20 . 1 1 10 10 ILE N N 10 119.738 119.738 122.344 -2.606 25260 1612 1 20 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.156 0.222 25260 1613 1 20 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.764 -0.682 25260 1614 1 20 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.958 2.283 25260 1615 1 20 . 1 1 10 10 ILE H H 10 7.857 7.857 8.282 -0.425 25260 1616 1 20 . 1 1 11 11 CYS H H 11 9.732 9.732 8.823 0.909 25260 1617 1 20 . 1 1 12 12 SER N N 12 119.584 119.584 119.970 -0.386 25260 1618 1 20 . 1 1 12 12 SER HA H 12 4.616 4.616 4.529 0.087 25260 1619 1 20 . 1 1 12 12 SER CA C 12 56.713 56.713 57.726 -1.013 25260 1620 1 20 . 1 1 12 12 SER CB C 12 65.844 65.844 64.243 1.601 25260 1621 1 20 . 1 1 12 12 SER H H 12 8.788 8.788 8.652 0.136 25260 1622 1 20 . 1 1 13 13 LEU N N 13 123.958 123.958 120.567 3.391 25260 1623 1 20 . 1 1 13 13 LEU HA H 13 3.871 3.871 3.990 -0.119 25260 1624 1 20 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.834 0.668 25260 1625 1 20 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.818 0.515 25260 1626 1 20 . 1 1 13 13 LEU H H 13 8.647 8.647 8.538 0.109 25260 1627 1 20 . 1 1 14 14 TYR N N 14 117.677 117.677 116.327 1.350 25260 1628 1 20 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.694 -0.517 25260 1629 1 20 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.035 0.182 25260 1630 1 20 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.295 0.543 25260 1631 1 20 . 1 1 14 14 TYR H H 14 7.509 7.509 7.502 0.007 25260 1632 1 20 . 1 1 15 15 GLN N N 15 120.146 120.146 117.319 2.827 25260 1633 1 20 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.245 -0.240 25260 1634 1 20 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.671 1.003 25260 1635 1 20 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.410 0.786 25260 1636 1 20 . 1 1 15 15 GLN H H 15 7.576 7.576 7.790 -0.214 25260 1637 1 20 . 1 1 16 16 LEU N N 16 122.310 122.310 120.985 1.325 25260 1638 1 20 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.188 0.003 25260 1639 1 20 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.711 0.602 25260 1640 1 20 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.554 0.640 25260 1641 1 20 . 1 1 16 16 LEU H H 16 8.116 8.116 8.194 -0.078 25260 1642 1 20 . 1 1 17 17 GLU N N 17 116.342 116.342 119.319 -2.977 25260 1643 1 20 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.062 0.148 25260 1644 1 20 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.257 -1.512 25260 1645 1 20 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.049 -1.301 25260 1646 1 20 . 1 1 17 17 GLU H H 17 8.099 8.099 8.137 -0.038 25260 1647 1 20 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.523 -0.022 25260 1648 1 20 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.231 -0.287 25260 1649 1 20 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.558 0.035 25260 1650 1 20 . 1 1 18 18 ASN H H 18 7.447 7.447 7.861 -0.414 25260 1651 1 20 . 1 1 19 19 TYR N N 19 118.955 118.955 115.883 3.072 25260 1652 1 20 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.510 -0.030 25260 1653 1 20 . 1 1 19 19 TYR CA C 19 59.210 59.210 58.316 0.894 25260 1654 1 20 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.117 0.180 25260 1655 1 20 . 1 1 19 19 TYR H H 19 7.934 7.934 7.818 0.116 25260 1656 1 20 . 1 1 20 20 CYS N N 20 118.333 118.333 120.325 -1.992 25260 1657 1 20 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.550 0.353 25260 1658 1 20 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.678 -4.776 25260 1659 1 20 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.860 8.326 25260 1660 1 20 . 1 1 20 20 CYS H H 20 7.457 7.457 7.634 -0.177 25260 1661 1 21 . 1 1 2 2 ILE N N 2 123.472 123.472 121.634 1.838 25260 1662 1 21 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.933 0.044 25260 1663 1 21 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.405 -4.328 25260 1664 1 21 . 1 1 2 2 ILE H H 2 8.536 8.536 8.443 0.093 25260 1665 1 21 . 1 1 3 3 VAL N N 3 125.510 125.510 119.775 5.735 25260 1666 1 21 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.951 -0.266 25260 1667 1 21 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.628 -0.301 25260 1668 1 21 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.322 0.742 25260 1669 1 21 . 1 1 3 3 VAL H H 3 8.149 8.149 8.033 0.116 25260 1670 1 21 . 1 1 4 4 GLU N N 4 125.884 125.884 119.969 5.915 25260 1671 1 21 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.025 0.250 25260 1672 1 21 . 1 1 4 4 GLU CA C 4 57.314 57.314 60.002 -2.688 25260 1673 1 21 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.125 -1.136 25260 1674 1 21 . 1 1 4 4 GLU H H 4 8.161 8.161 7.781 0.380 25260 1675 1 21 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.057 0.043 25260 1676 1 21 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.121 -0.276 25260 1677 1 21 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.736 0.589 25260 1678 1 21 . 1 1 5 5 GLN H H 5 8.299 8.299 7.969 0.330 25260 1679 1 21 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.397 0.549 25260 1680 1 21 . 1 1 6 6 CYS H H 6 8.337 8.337 8.213 0.124 25260 1681 1 21 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.304 0.565 25260 1682 1 21 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.210 -3.974 25260 1683 1 21 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.148 11.845 25260 1684 1 21 . 1 1 7 7 CYS H H 7 8.297 8.297 8.177 0.120 25260 1685 1 21 . 1 1 8 8 THR N N 8 122.151 122.151 113.188 8.963 25260 1686 1 21 . 1 1 8 8 THR HA H 8 4.087 4.087 4.259 -0.172 25260 1687 1 21 . 1 1 8 8 THR CA C 8 64.845 64.845 63.764 1.081 25260 1688 1 21 . 1 1 8 8 THR CB C 8 68.652 68.652 69.087 -0.435 25260 1689 1 21 . 1 1 8 8 THR H H 8 8.270 8.270 8.263 0.007 25260 1690 1 21 . 1 1 9 9 SER HA H 9 4.801 4.801 4.664 0.137 25260 1691 1 21 . 1 1 9 9 SER CA C 9 56.219 56.219 56.724 -0.505 25260 1692 1 21 . 1 1 9 9 SER CB C 9 64.263 64.263 65.049 -0.786 25260 1693 1 21 . 1 1 9 9 SER H H 9 7.471 7.471 7.617 -0.146 25260 1694 1 21 . 1 1 10 10 ILE N N 10 119.738 119.738 122.300 -2.562 25260 1695 1 21 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.085 0.293 25260 1696 1 21 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.029 -0.947 25260 1697 1 21 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.538 2.703 25260 1698 1 21 . 1 1 10 10 ILE H H 10 7.857 7.857 8.282 -0.425 25260 1699 1 21 . 1 1 11 11 CYS H H 11 9.732 9.732 8.673 1.059 25260 1700 1 21 . 1 1 12 12 SER N N 12 119.584 119.584 122.679 -3.095 25260 1701 1 21 . 1 1 12 12 SER HA H 12 4.616 4.616 4.619 -0.003 25260 1702 1 21 . 1 1 12 12 SER CA C 12 56.713 56.713 57.266 -0.553 25260 1703 1 21 . 1 1 12 12 SER CB C 12 65.844 65.844 64.537 1.306 25260 1704 1 21 . 1 1 12 12 SER H H 12 8.788 8.788 8.474 0.314 25260 1705 1 21 . 1 1 13 13 LEU N N 13 123.958 123.958 119.219 4.739 25260 1706 1 21 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.040 -0.169 25260 1707 1 21 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.535 0.967 25260 1708 1 21 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.668 0.665 25260 1709 1 21 . 1 1 13 13 LEU H H 13 8.647 8.647 8.507 0.140 25260 1710 1 21 . 1 1 14 14 TYR N N 14 117.677 117.677 117.246 0.431 25260 1711 1 21 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.704 -0.528 25260 1712 1 21 . 1 1 14 14 TYR CA C 14 60.217 60.217 59.784 0.433 25260 1713 1 21 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.341 0.497 25260 1714 1 21 . 1 1 14 14 TYR H H 14 7.509 7.509 7.422 0.087 25260 1715 1 21 . 1 1 15 15 GLN N N 15 120.146 120.146 117.867 2.279 25260 1716 1 21 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.199 -0.194 25260 1717 1 21 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.129 0.545 25260 1718 1 21 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.497 0.699 25260 1719 1 21 . 1 1 15 15 GLN H H 15 7.576 7.576 7.633 -0.057 25260 1720 1 21 . 1 1 16 16 LEU N N 16 122.310 122.310 121.009 1.301 25260 1721 1 21 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.163 0.028 25260 1722 1 21 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.929 0.384 25260 1723 1 21 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.696 0.498 25260 1724 1 21 . 1 1 16 16 LEU H H 16 8.116 8.116 8.116 0.000 25260 1725 1 21 . 1 1 17 17 GLU N N 17 116.342 116.342 118.766 -2.424 25260 1726 1 21 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.057 0.153 25260 1727 1 21 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.334 -1.591 25260 1728 1 21 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.202 -1.454 25260 1729 1 21 . 1 1 17 17 GLU H H 17 8.099 8.099 8.109 -0.010 25260 1730 1 21 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.547 -0.046 25260 1731 1 21 . 1 1 18 18 ASN CA C 18 54.944 54.944 54.948 -0.004 25260 1732 1 21 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.366 0.227 25260 1733 1 21 . 1 1 18 18 ASN H H 18 7.447 7.447 7.789 -0.342 25260 1734 1 21 . 1 1 19 19 TYR N N 19 118.955 118.955 117.334 1.621 25260 1735 1 21 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.415 0.065 25260 1736 1 21 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.624 -0.415 25260 1737 1 21 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.490 -0.193 25260 1738 1 21 . 1 1 19 19 TYR H H 19 7.934 7.934 7.660 0.274 25260 1739 1 21 . 1 1 20 20 CYS N N 20 118.333 118.333 119.328 -0.995 25260 1740 1 21 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.660 0.243 25260 1741 1 21 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.215 -4.313 25260 1742 1 21 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.933 8.253 25260 1743 1 21 . 1 1 20 20 CYS H H 20 7.457 7.457 7.541 -0.084 25260 1744 1 22 . 1 1 2 2 ILE N N 2 123.472 123.472 121.162 2.310 25260 1745 1 22 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.860 0.117 25260 1746 1 22 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.451 -4.374 25260 1747 1 22 . 1 1 2 2 ILE H H 2 8.536 8.536 8.457 0.079 25260 1748 1 22 . 1 1 3 3 VAL N N 3 125.510 125.510 119.647 5.863 25260 1749 1 22 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.992 -0.307 25260 1750 1 22 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.565 -0.238 25260 1751 1 22 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.700 0.364 25260 1752 1 22 . 1 1 3 3 VAL H H 3 8.149 8.149 8.204 -0.055 25260 1753 1 22 . 1 1 4 4 GLU N N 4 125.884 125.884 119.957 5.927 25260 1754 1 22 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.036 0.239 25260 1755 1 22 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.962 -2.648 25260 1756 1 22 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.001 -1.012 25260 1757 1 22 . 1 1 4 4 GLU H H 4 8.161 8.161 7.840 0.321 25260 1758 1 22 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.136 -0.036 25260 1759 1 22 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.823 0.022 25260 1760 1 22 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.321 1.004 25260 1761 1 22 . 1 1 5 5 GLN H H 5 8.299 8.299 7.958 0.341 25260 1762 1 22 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.334 0.612 25260 1763 1 22 . 1 1 6 6 CYS H H 6 8.337 8.337 8.307 0.030 25260 1764 1 22 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.338 0.531 25260 1765 1 22 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.067 -3.831 25260 1766 1 22 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.093 11.901 25260 1767 1 22 . 1 1 7 7 CYS H H 7 8.297 8.297 8.317 -0.020 25260 1768 1 22 . 1 1 8 8 THR N N 8 122.151 122.151 113.285 8.866 25260 1769 1 22 . 1 1 8 8 THR HA H 8 4.087 4.087 4.353 -0.266 25260 1770 1 22 . 1 1 8 8 THR CA C 8 64.845 64.845 63.751 1.094 25260 1771 1 22 . 1 1 8 8 THR CB C 8 68.652 68.652 69.147 -0.495 25260 1772 1 22 . 1 1 8 8 THR H H 8 8.270 8.270 8.410 -0.140 25260 1773 1 22 . 1 1 9 9 SER HA H 9 4.801 4.801 4.573 0.228 25260 1774 1 22 . 1 1 9 9 SER CA C 9 56.219 56.219 56.346 -0.127 25260 1775 1 22 . 1 1 9 9 SER CB C 9 64.263 64.263 65.695 -1.432 25260 1776 1 22 . 1 1 9 9 SER H H 9 7.471 7.471 7.565 -0.094 25260 1777 1 22 . 1 1 10 10 ILE N N 10 119.738 119.738 121.494 -1.756 25260 1778 1 22 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.200 0.178 25260 1779 1 22 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.125 -1.043 25260 1780 1 22 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.998 2.243 25260 1781 1 22 . 1 1 10 10 ILE H H 10 7.857 7.857 8.298 -0.441 25260 1782 1 22 . 1 1 11 11 CYS H H 11 9.732 9.732 8.692 1.040 25260 1783 1 22 . 1 1 12 12 SER N N 12 119.584 119.584 122.183 -2.599 25260 1784 1 22 . 1 1 12 12 SER HA H 12 4.616 4.616 4.607 0.009 25260 1785 1 22 . 1 1 12 12 SER CA C 12 56.713 56.713 57.321 -0.608 25260 1786 1 22 . 1 1 12 12 SER CB C 12 65.844 65.844 64.519 1.325 25260 1787 1 22 . 1 1 12 12 SER H H 12 8.788 8.788 8.191 0.597 25260 1788 1 22 . 1 1 13 13 LEU N N 13 123.958 123.958 119.308 4.650 25260 1789 1 22 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.040 -0.169 25260 1790 1 22 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.580 0.922 25260 1791 1 22 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.647 0.686 25260 1792 1 22 . 1 1 13 13 LEU H H 13 8.647 8.647 8.532 0.115 25260 1793 1 22 . 1 1 14 14 TYR N N 14 117.677 117.677 117.388 0.289 25260 1794 1 22 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.760 -0.584 25260 1795 1 22 . 1 1 14 14 TYR CA C 14 60.217 60.217 59.937 0.280 25260 1796 1 22 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.398 0.440 25260 1797 1 22 . 1 1 14 14 TYR H H 14 7.509 7.509 7.467 0.042 25260 1798 1 22 . 1 1 15 15 GLN N N 15 120.146 120.146 117.936 2.210 25260 1799 1 22 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.189 -0.184 25260 1800 1 22 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.190 0.484 25260 1801 1 22 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.498 0.698 25260 1802 1 22 . 1 1 15 15 GLN H H 15 7.576 7.576 7.669 -0.093 25260 1803 1 22 . 1 1 16 16 LEU N N 16 122.310 122.310 120.898 1.412 25260 1804 1 22 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.173 0.018 25260 1805 1 22 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.937 0.376 25260 1806 1 22 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.721 0.473 25260 1807 1 22 . 1 1 16 16 LEU H H 16 8.116 8.116 8.099 0.017 25260 1808 1 22 . 1 1 17 17 GLU N N 17 116.342 116.342 118.855 -2.513 25260 1809 1 22 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.056 0.154 25260 1810 1 22 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.368 -1.624 25260 1811 1 22 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.260 -1.512 25260 1812 1 22 . 1 1 17 17 GLU H H 17 8.099 8.099 8.307 -0.208 25260 1813 1 22 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.559 -0.058 25260 1814 1 22 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.474 -0.530 25260 1815 1 22 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.358 0.235 25260 1816 1 22 . 1 1 18 18 ASN H H 18 7.447 7.447 7.885 -0.438 25260 1817 1 22 . 1 1 19 19 TYR N N 19 118.955 118.955 117.973 0.982 25260 1818 1 22 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.451 0.029 25260 1819 1 22 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.989 -0.779 25260 1820 1 22 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.030 0.267 25260 1821 1 22 . 1 1 19 19 TYR H H 19 7.934 7.934 7.815 0.119 25260 1822 1 22 . 1 1 20 20 CYS N N 20 118.333 118.333 118.950 -0.617 25260 1823 1 22 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.800 0.103 25260 1824 1 22 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.503 -4.601 25260 1825 1 22 . 1 1 20 20 CYS CB C 20 36.186 36.186 26.591 9.595 25260 1826 1 22 . 1 1 20 20 CYS H H 20 7.457 7.457 7.735 -0.278 25260 1827 1 23 . 1 1 2 2 ILE N N 2 123.472 123.472 121.743 1.729 25260 1828 1 23 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.847 0.130 25260 1829 1 23 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.469 -4.392 25260 1830 1 23 . 1 1 2 2 ILE H H 2 8.536 8.536 8.435 0.101 25260 1831 1 23 . 1 1 3 3 VAL N N 3 125.510 125.510 120.026 5.484 25260 1832 1 23 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.959 -0.274 25260 1833 1 23 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.255 0.072 25260 1834 1 23 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.729 0.335 25260 1835 1 23 . 1 1 3 3 VAL H H 3 8.149 8.149 8.104 0.045 25260 1836 1 23 . 1 1 4 4 GLU N N 4 125.884 125.884 119.767 6.117 25260 1837 1 23 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.925 0.350 25260 1838 1 23 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.958 -2.644 25260 1839 1 23 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.177 -1.188 25260 1840 1 23 . 1 1 4 4 GLU H H 4 8.161 8.161 7.822 0.339 25260 1841 1 23 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.052 0.048 25260 1842 1 23 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.024 -0.179 25260 1843 1 23 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.839 0.486 25260 1844 1 23 . 1 1 5 5 GLN H H 5 8.299 8.299 7.777 0.522 25260 1845 1 23 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.402 0.544 25260 1846 1 23 . 1 1 6 6 CYS H H 6 8.337 8.337 7.814 0.523 25260 1847 1 23 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.304 0.565 25260 1848 1 23 . 1 1 7 7 CYS CA C 7 57.236 57.236 62.314 -5.078 25260 1849 1 23 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.902 12.092 25260 1850 1 23 . 1 1 7 7 CYS H H 7 8.297 8.297 8.358 -0.061 25260 1851 1 23 . 1 1 8 8 THR N N 8 122.151 122.151 113.196 8.955 25260 1852 1 23 . 1 1 8 8 THR HA H 8 4.087 4.087 4.332 -0.245 25260 1853 1 23 . 1 1 8 8 THR CA C 8 64.845 64.845 64.081 0.764 25260 1854 1 23 . 1 1 8 8 THR CB C 8 68.652 68.652 69.362 -0.710 25260 1855 1 23 . 1 1 8 8 THR H H 8 8.270 8.270 8.152 0.118 25260 1856 1 23 . 1 1 9 9 SER HA H 9 4.801 4.801 4.698 0.103 25260 1857 1 23 . 1 1 9 9 SER CA C 9 56.219 56.219 56.683 -0.464 25260 1858 1 23 . 1 1 9 9 SER CB C 9 64.263 64.263 64.845 -0.582 25260 1859 1 23 . 1 1 9 9 SER H H 9 7.471 7.471 7.696 -0.225 25260 1860 1 23 . 1 1 10 10 ILE N N 10 119.738 119.738 121.721 -1.983 25260 1861 1 23 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.200 0.178 25260 1862 1 23 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.649 -0.567 25260 1863 1 23 . 1 1 10 10 ILE CB C 10 39.241 39.241 38.525 0.716 25260 1864 1 23 . 1 1 10 10 ILE H H 10 7.857 7.857 8.284 -0.427 25260 1865 1 23 . 1 1 11 11 CYS H H 11 9.732 9.732 8.783 0.949 25260 1866 1 23 . 1 1 12 12 SER N N 12 119.584 119.584 120.302 -0.718 25260 1867 1 23 . 1 1 12 12 SER HA H 12 4.616 4.616 4.577 0.039 25260 1868 1 23 . 1 1 12 12 SER CA C 12 56.713 56.713 57.419 -0.706 25260 1869 1 23 . 1 1 12 12 SER CB C 12 65.844 65.844 64.438 1.406 25260 1870 1 23 . 1 1 12 12 SER H H 12 8.788 8.788 8.473 0.315 25260 1871 1 23 . 1 1 13 13 LEU N N 13 123.958 123.958 119.360 4.598 25260 1872 1 23 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.033 -0.162 25260 1873 1 23 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.677 0.825 25260 1874 1 23 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.584 0.749 25260 1875 1 23 . 1 1 13 13 LEU H H 13 8.647 8.647 8.550 0.097 25260 1876 1 23 . 1 1 14 14 TYR N N 14 117.677 117.677 117.426 0.251 25260 1877 1 23 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.687 -0.511 25260 1878 1 23 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.014 0.203 25260 1879 1 23 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.318 0.520 25260 1880 1 23 . 1 1 14 14 TYR H H 14 7.509 7.509 7.454 0.055 25260 1881 1 23 . 1 1 15 15 GLN N N 15 120.146 120.146 117.822 2.324 25260 1882 1 23 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.184 -0.179 25260 1883 1 23 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.188 0.486 25260 1884 1 23 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.567 0.629 25260 1885 1 23 . 1 1 15 15 GLN H H 15 7.576 7.576 7.620 -0.044 25260 1886 1 23 . 1 1 16 16 LEU N N 16 122.310 122.310 121.079 1.231 25260 1887 1 23 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.259 -0.068 25260 1888 1 23 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.895 0.418 25260 1889 1 23 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.696 0.498 25260 1890 1 23 . 1 1 16 16 LEU H H 16 8.116 8.116 8.334 -0.218 25260 1891 1 23 . 1 1 17 17 GLU N N 17 116.342 116.342 119.289 -2.947 25260 1892 1 23 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.032 0.178 25260 1893 1 23 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.378 -1.634 25260 1894 1 23 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.212 -1.464 25260 1895 1 23 . 1 1 17 17 GLU H H 17 8.099 8.099 8.425 -0.326 25260 1896 1 23 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.539 -0.038 25260 1897 1 23 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.698 -0.754 25260 1898 1 23 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.230 0.363 25260 1899 1 23 . 1 1 18 18 ASN H H 18 7.447 7.447 7.825 -0.378 25260 1900 1 23 . 1 1 19 19 TYR N N 19 118.955 118.955 119.937 -0.982 25260 1901 1 23 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.350 0.130 25260 1902 1 23 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.854 -1.644 25260 1903 1 23 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.491 -0.194 25260 1904 1 23 . 1 1 19 19 TYR H H 19 7.934 7.934 8.140 -0.206 25260 1905 1 23 . 1 1 20 20 CYS N N 20 118.333 118.333 114.575 3.758 25260 1906 1 23 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.883 0.020 25260 1907 1 23 . 1 1 20 20 CYS CA C 20 53.902 53.902 56.481 -2.579 25260 1908 1 23 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.543 8.643 25260 1909 1 23 . 1 1 20 20 CYS H H 20 7.457 7.457 7.956 -0.499 25260 1910 1 24 . 1 1 2 2 ILE N N 2 123.472 123.472 122.585 0.887 25260 1911 1 24 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.733 0.244 25260 1912 1 24 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.260 -4.183 25260 1913 1 24 . 1 1 2 2 ILE H H 2 8.536 8.536 8.507 0.029 25260 1914 1 24 . 1 1 3 3 VAL N N 3 125.510 125.510 118.679 6.831 25260 1915 1 24 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.921 -0.236 25260 1916 1 24 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.635 -0.308 25260 1917 1 24 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.576 0.488 25260 1918 1 24 . 1 1 3 3 VAL H H 3 8.149 8.149 7.974 0.175 25260 1919 1 24 . 1 1 4 4 GLU N N 4 125.884 125.884 119.493 6.391 25260 1920 1 24 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.056 0.219 25260 1921 1 24 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.375 -2.061 25260 1922 1 24 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.056 -1.067 25260 1923 1 24 . 1 1 4 4 GLU H H 4 8.161 8.161 7.861 0.300 25260 1924 1 24 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.079 0.021 25260 1925 1 24 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.398 0.447 25260 1926 1 24 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.059 1.266 25260 1927 1 24 . 1 1 5 5 GLN H H 5 8.299 8.299 8.090 0.209 25260 1928 1 24 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.441 0.505 25260 1929 1 24 . 1 1 6 6 CYS H H 6 8.337 8.337 7.993 0.344 25260 1930 1 24 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.272 0.597 25260 1931 1 24 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.968 -4.732 25260 1932 1 24 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.208 11.786 25260 1933 1 24 . 1 1 7 7 CYS H H 7 8.297 8.297 8.360 -0.063 25260 1934 1 24 . 1 1 8 8 THR N N 8 122.151 122.151 113.628 8.523 25260 1935 1 24 . 1 1 8 8 THR HA H 8 4.087 4.087 4.338 -0.251 25260 1936 1 24 . 1 1 8 8 THR CA C 8 64.845 64.845 63.863 0.982 25260 1937 1 24 . 1 1 8 8 THR CB C 8 68.652 68.652 69.488 -0.836 25260 1938 1 24 . 1 1 8 8 THR H H 8 8.270 8.270 8.134 0.136 25260 1939 1 24 . 1 1 9 9 SER HA H 9 4.801 4.801 4.707 0.094 25260 1940 1 24 . 1 1 9 9 SER CA C 9 56.219 56.219 56.585 -0.366 25260 1941 1 24 . 1 1 9 9 SER CB C 9 64.263 64.263 64.600 -0.337 25260 1942 1 24 . 1 1 9 9 SER H H 9 7.471 7.471 7.877 -0.406 25260 1943 1 24 . 1 1 10 10 ILE N N 10 119.738 119.738 122.410 -2.672 25260 1944 1 24 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.077 0.301 25260 1945 1 24 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.237 -1.155 25260 1946 1 24 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.638 2.603 25260 1947 1 24 . 1 1 10 10 ILE H H 10 7.857 7.857 8.272 -0.415 25260 1948 1 24 . 1 1 11 11 CYS H H 11 9.732 9.732 8.698 1.034 25260 1949 1 24 . 1 1 12 12 SER N N 12 119.584 119.584 121.666 -2.082 25260 1950 1 24 . 1 1 12 12 SER HA H 12 4.616 4.616 4.588 0.028 25260 1951 1 24 . 1 1 12 12 SER CA C 12 56.713 56.713 57.477 -0.764 25260 1952 1 24 . 1 1 12 12 SER CB C 12 65.844 65.844 64.443 1.401 25260 1953 1 24 . 1 1 12 12 SER H H 12 8.788 8.788 8.073 0.715 25260 1954 1 24 . 1 1 13 13 LEU N N 13 123.958 123.958 117.565 6.393 25260 1955 1 24 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.057 -0.186 25260 1956 1 24 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.462 1.040 25260 1957 1 24 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.858 0.475 25260 1958 1 24 . 1 1 13 13 LEU H H 13 8.647 8.647 8.466 0.181 25260 1959 1 24 . 1 1 14 14 TYR N N 14 117.677 117.677 116.595 1.082 25260 1960 1 24 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.218 -0.042 25260 1961 1 24 . 1 1 14 14 TYR CA C 14 60.217 60.217 61.316 -1.099 25260 1962 1 24 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.516 0.322 25260 1963 1 24 . 1 1 14 14 TYR H H 14 7.509 7.509 7.031 0.478 25260 1964 1 24 . 1 1 15 15 GLN N N 15 120.146 120.146 118.241 1.905 25260 1965 1 24 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.143 -0.138 25260 1966 1 24 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.595 0.079 25260 1967 1 24 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.700 0.496 25260 1968 1 24 . 1 1 15 15 GLN H H 15 7.576 7.576 7.615 -0.039 25260 1969 1 24 . 1 1 16 16 LEU N N 16 122.310 122.310 119.711 2.599 25260 1970 1 24 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.238 -0.047 25260 1971 1 24 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.895 0.418 25260 1972 1 24 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.795 0.398 25260 1973 1 24 . 1 1 16 16 LEU H H 16 8.116 8.116 8.305 -0.189 25260 1974 1 24 . 1 1 17 17 GLU N N 17 116.342 116.342 118.841 -2.499 25260 1975 1 24 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.108 0.102 25260 1976 1 24 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.270 -1.526 25260 1977 1 24 . 1 1 17 17 GLU CB C 17 27.748 27.748 28.987 -1.239 25260 1978 1 24 . 1 1 17 17 GLU H H 17 8.099 8.099 8.262 -0.163 25260 1979 1 24 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.586 -0.085 25260 1980 1 24 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.292 -0.348 25260 1981 1 24 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.120 0.473 25260 1982 1 24 . 1 1 18 18 ASN H H 18 7.447 7.447 7.751 -0.304 25260 1983 1 24 . 1 1 19 19 TYR N N 19 118.955 118.955 117.491 1.464 25260 1984 1 24 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.389 0.091 25260 1985 1 24 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.543 -0.333 25260 1986 1 24 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.553 -0.256 25260 1987 1 24 . 1 1 19 19 TYR H H 19 7.934 7.934 7.732 0.202 25260 1988 1 24 . 1 1 20 20 CYS N N 20 118.333 118.333 120.024 -1.691 25260 1989 1 24 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.498 0.405 25260 1990 1 24 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.644 -5.742 25260 1991 1 24 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.127 9.059 25260 1992 1 24 . 1 1 20 20 CYS H H 20 7.457 7.457 7.730 -0.273 25260 1993 1 25 . 1 1 2 2 ILE N N 2 123.472 123.472 121.400 2.072 25260 1994 1 25 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.947 0.030 25260 1995 1 25 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.520 -4.443 25260 1996 1 25 . 1 1 2 2 ILE H H 2 8.536 8.536 8.480 0.056 25260 1997 1 25 . 1 1 3 3 VAL N N 3 125.510 125.510 121.529 3.981 25260 1998 1 25 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.057 -0.372 25260 1999 1 25 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.512 -0.185 25260 2000 1 25 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.122 0.942 25260 2001 1 25 . 1 1 3 3 VAL H H 3 8.149 8.149 8.048 0.101 25260 2002 1 25 . 1 1 4 4 GLU N N 4 125.884 125.884 119.483 6.401 25260 2003 1 25 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.034 0.241 25260 2004 1 25 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.863 -2.549 25260 2005 1 25 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.359 -1.370 25260 2006 1 25 . 1 1 4 4 GLU H H 4 8.161 8.161 8.433 -0.272 25260 2007 1 25 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.084 0.016 25260 2008 1 25 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.082 -0.237 25260 2009 1 25 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.850 0.475 25260 2010 1 25 . 1 1 5 5 GLN H H 5 8.299 8.299 7.914 0.385 25260 2011 1 25 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.546 0.400 25260 2012 1 25 . 1 1 6 6 CYS H H 6 8.337 8.337 7.899 0.438 25260 2013 1 25 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.492 0.377 25260 2014 1 25 . 1 1 7 7 CYS CA C 7 57.236 57.236 60.789 -3.553 25260 2015 1 25 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.091 11.902 25260 2016 1 25 . 1 1 7 7 CYS H H 7 8.297 8.297 7.810 0.487 25260 2017 1 25 . 1 1 8 8 THR N N 8 122.151 122.151 114.667 7.484 25260 2018 1 25 . 1 1 8 8 THR HA H 8 4.087 4.087 4.304 -0.217 25260 2019 1 25 . 1 1 8 8 THR CA C 8 64.845 64.845 63.977 0.868 25260 2020 1 25 . 1 1 8 8 THR CB C 8 68.652 68.652 69.438 -0.786 25260 2021 1 25 . 1 1 8 8 THR H H 8 8.270 8.270 8.218 0.052 25260 2022 1 25 . 1 1 9 9 SER HA H 9 4.801 4.801 4.714 0.087 25260 2023 1 25 . 1 1 9 9 SER CA C 9 56.219 56.219 56.670 -0.451 25260 2024 1 25 . 1 1 9 9 SER CB C 9 64.263 64.263 64.928 -0.665 25260 2025 1 25 . 1 1 9 9 SER H H 9 7.471 7.471 7.703 -0.232 25260 2026 1 25 . 1 1 10 10 ILE N N 10 119.738 119.738 121.921 -2.183 25260 2027 1 25 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.147 0.231 25260 2028 1 25 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.896 -0.814 25260 2029 1 25 . 1 1 10 10 ILE CB C 10 39.241 39.241 38.185 1.056 25260 2030 1 25 . 1 1 10 10 ILE H H 10 7.857 7.857 8.347 -0.490 25260 2031 1 25 . 1 1 11 11 CYS H H 11 9.732 9.732 8.883 0.849 25260 2032 1 25 . 1 1 12 12 SER N N 12 119.584 119.584 121.220 -1.636 25260 2033 1 25 . 1 1 12 12 SER HA H 12 4.616 4.616 4.585 0.031 25260 2034 1 25 . 1 1 12 12 SER CA C 12 56.713 56.713 57.481 -0.768 25260 2035 1 25 . 1 1 12 12 SER CB C 12 65.844 65.844 64.430 1.414 25260 2036 1 25 . 1 1 12 12 SER H H 12 8.788 8.788 8.524 0.264 25260 2037 1 25 . 1 1 13 13 LEU N N 13 123.958 123.958 117.710 6.248 25260 2038 1 25 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.023 -0.152 25260 2039 1 25 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.558 0.944 25260 2040 1 25 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.874 0.459 25260 2041 1 25 . 1 1 13 13 LEU H H 13 8.647 8.647 8.498 0.149 25260 2042 1 25 . 1 1 14 14 TYR N N 14 117.677 117.677 117.018 0.659 25260 2043 1 25 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.217 -0.041 25260 2044 1 25 . 1 1 14 14 TYR CA C 14 60.217 60.217 61.284 -1.067 25260 2045 1 25 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.637 0.201 25260 2046 1 25 . 1 1 14 14 TYR H H 14 7.509 7.509 7.252 0.257 25260 2047 1 25 . 1 1 15 15 GLN N N 15 120.146 120.146 117.742 2.404 25260 2048 1 25 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.217 -0.212 25260 2049 1 25 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.034 0.640 25260 2050 1 25 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.712 0.484 25260 2051 1 25 . 1 1 15 15 GLN H H 15 7.576 7.576 7.673 -0.097 25260 2052 1 25 . 1 1 16 16 LEU N N 16 122.310 122.310 121.075 1.235 25260 2053 1 25 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.220 -0.029 25260 2054 1 25 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.899 0.414 25260 2055 1 25 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.552 0.642 25260 2056 1 25 . 1 1 16 16 LEU H H 16 8.116 8.116 8.635 -0.519 25260 2057 1 25 . 1 1 17 17 GLU N N 17 116.342 116.342 119.254 -2.912 25260 2058 1 25 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.094 0.116 25260 2059 1 25 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.077 -1.333 25260 2060 1 25 . 1 1 17 17 GLU CB C 17 27.748 27.748 28.829 -1.081 25260 2061 1 25 . 1 1 17 17 GLU H H 17 8.099 8.099 8.252 -0.153 25260 2062 1 25 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.534 -0.033 25260 2063 1 25 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.607 -0.663 25260 2064 1 25 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.261 0.332 25260 2065 1 25 . 1 1 18 18 ASN H H 18 7.447 7.447 7.877 -0.430 25260 2066 1 25 . 1 1 19 19 TYR N N 19 118.955 118.955 119.700 -0.745 25260 2067 1 25 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.399 0.081 25260 2068 1 25 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.674 -1.464 25260 2069 1 25 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.525 -0.228 25260 2070 1 25 . 1 1 19 19 TYR H H 19 7.934 7.934 8.174 -0.240 25260 2071 1 25 . 1 1 20 20 CYS N N 20 118.333 118.333 114.423 3.910 25260 2072 1 25 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.901 0.002 25260 2073 1 25 . 1 1 20 20 CYS CA C 20 53.902 53.902 56.453 -2.551 25260 2074 1 25 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.689 8.497 25260 2075 1 25 . 1 1 20 20 CYS H H 20 7.457 7.457 7.989 -0.532 25260 2076 1 26 . 1 1 2 2 ILE N N 2 123.472 123.472 121.523 1.949 25260 2077 1 26 . 1 1 2 2 ILE HA H 2 3.977 3.977 4.101 -0.124 25260 2078 1 26 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.428 -4.351 25260 2079 1 26 . 1 1 2 2 ILE H H 2 8.536 8.536 8.531 0.005 25260 2080 1 26 . 1 1 3 3 VAL N N 3 125.510 125.510 119.531 5.979 25260 2081 1 26 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.005 -0.320 25260 2082 1 26 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.589 -0.262 25260 2083 1 26 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.732 0.332 25260 2084 1 26 . 1 1 3 3 VAL H H 3 8.149 8.149 8.183 -0.034 25260 2085 1 26 . 1 1 4 4 GLU N N 4 125.884 125.884 120.027 5.857 25260 2086 1 26 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.008 0.267 25260 2087 1 26 . 1 1 4 4 GLU CA C 4 57.314 57.314 60.130 -2.816 25260 2088 1 26 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.098 -1.109 25260 2089 1 26 . 1 1 4 4 GLU H H 4 8.161 8.161 7.707 0.454 25260 2090 1 26 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.047 0.053 25260 2091 1 26 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.039 -0.194 25260 2092 1 26 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.749 0.576 25260 2093 1 26 . 1 1 5 5 GLN H H 5 8.299 8.299 8.061 0.238 25260 2094 1 26 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.353 0.593 25260 2095 1 26 . 1 1 6 6 CYS H H 6 8.337 8.337 8.212 0.125 25260 2096 1 26 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.359 0.510 25260 2097 1 26 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.831 -4.595 25260 2098 1 26 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.041 11.953 25260 2099 1 26 . 1 1 7 7 CYS H H 7 8.297 8.297 8.201 0.096 25260 2100 1 26 . 1 1 8 8 THR N N 8 122.151 122.151 113.279 8.872 25260 2101 1 26 . 1 1 8 8 THR HA H 8 4.087 4.087 4.397 -0.310 25260 2102 1 26 . 1 1 8 8 THR CA C 8 64.845 64.845 63.963 0.882 25260 2103 1 26 . 1 1 8 8 THR CB C 8 68.652 68.652 69.426 -0.774 25260 2104 1 26 . 1 1 8 8 THR H H 8 8.270 8.270 8.176 0.094 25260 2105 1 26 . 1 1 9 9 SER HA H 9 4.801 4.801 4.664 0.137 25260 2106 1 26 . 1 1 9 9 SER CA C 9 56.219 56.219 56.768 -0.549 25260 2107 1 26 . 1 1 9 9 SER CB C 9 64.263 64.263 65.091 -0.828 25260 2108 1 26 . 1 1 9 9 SER H H 9 7.471 7.471 7.638 -0.167 25260 2109 1 26 . 1 1 10 10 ILE N N 10 119.738 119.738 122.385 -2.647 25260 2110 1 26 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.073 0.305 25260 2111 1 26 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.489 -1.407 25260 2112 1 26 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.035 2.205 25260 2113 1 26 . 1 1 10 10 ILE H H 10 7.857 7.857 8.261 -0.404 25260 2114 1 26 . 1 1 11 11 CYS H H 11 9.732 9.732 8.707 1.025 25260 2115 1 26 . 1 1 12 12 SER N N 12 119.584 119.584 121.716 -2.132 25260 2116 1 26 . 1 1 12 12 SER HA H 12 4.616 4.616 4.565 0.051 25260 2117 1 26 . 1 1 12 12 SER CA C 12 56.713 56.713 57.517 -0.804 25260 2118 1 26 . 1 1 12 12 SER CB C 12 65.844 65.844 64.460 1.384 25260 2119 1 26 . 1 1 12 12 SER H H 12 8.788 8.788 8.060 0.728 25260 2120 1 26 . 1 1 13 13 LEU N N 13 123.958 123.958 119.023 4.935 25260 2121 1 26 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.045 -0.174 25260 2122 1 26 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.629 0.873 25260 2123 1 26 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.607 0.726 25260 2124 1 26 . 1 1 13 13 LEU H H 13 8.647 8.647 8.562 0.085 25260 2125 1 26 . 1 1 14 14 TYR N N 14 117.677 117.677 117.611 0.066 25260 2126 1 26 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.682 -0.506 25260 2127 1 26 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.181 0.036 25260 2128 1 26 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.355 0.483 25260 2129 1 26 . 1 1 14 14 TYR H H 14 7.509 7.509 7.513 -0.004 25260 2130 1 26 . 1 1 15 15 GLN N N 15 120.146 120.146 118.086 2.060 25260 2131 1 26 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.152 -0.147 25260 2132 1 26 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.307 0.367 25260 2133 1 26 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.518 0.678 25260 2134 1 26 . 1 1 15 15 GLN H H 15 7.576 7.576 7.627 -0.051 25260 2135 1 26 . 1 1 16 16 LEU N N 16 122.310 122.310 119.777 2.533 25260 2136 1 26 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.192 -0.001 25260 2137 1 26 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.804 0.509 25260 2138 1 26 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.823 0.371 25260 2139 1 26 . 1 1 16 16 LEU H H 16 8.116 8.116 8.148 -0.032 25260 2140 1 26 . 1 1 17 17 GLU N N 17 116.342 116.342 119.198 -2.856 25260 2141 1 26 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.051 0.159 25260 2142 1 26 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.462 -1.718 25260 2143 1 26 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.229 -1.481 25260 2144 1 26 . 1 1 17 17 GLU H H 17 8.099 8.099 8.328 -0.229 25260 2145 1 26 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.564 -0.063 25260 2146 1 26 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.606 -0.662 25260 2147 1 26 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.499 0.094 25260 2148 1 26 . 1 1 18 18 ASN H H 18 7.447 7.447 7.739 -0.292 25260 2149 1 26 . 1 1 19 19 TYR N N 19 118.955 118.955 117.700 1.255 25260 2150 1 26 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.368 0.112 25260 2151 1 26 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.869 -0.659 25260 2152 1 26 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.688 -0.391 25260 2153 1 26 . 1 1 19 19 TYR H H 19 7.934 7.934 7.720 0.214 25260 2154 1 26 . 1 1 20 20 CYS N N 20 118.333 118.333 120.081 -1.748 25260 2155 1 26 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.533 0.370 25260 2156 1 26 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.087 -5.185 25260 2157 1 26 . 1 1 20 20 CYS CB C 20 36.186 36.186 25.488 10.698 25260 2158 1 26 . 1 1 20 20 CYS H H 20 7.457 7.457 7.653 -0.196 25260 2159 1 27 . 1 1 2 2 ILE N N 2 123.472 123.472 122.277 1.195 25260 2160 1 27 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.889 0.088 25260 2161 1 27 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.447 -4.370 25260 2162 1 27 . 1 1 2 2 ILE H H 2 8.536 8.536 8.552 -0.016 25260 2163 1 27 . 1 1 3 3 VAL N N 3 125.510 125.510 120.132 5.378 25260 2164 1 27 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.971 -0.286 25260 2165 1 27 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.570 -0.243 25260 2166 1 27 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.677 0.387 25260 2167 1 27 . 1 1 3 3 VAL H H 3 8.149 8.149 8.084 0.065 25260 2168 1 27 . 1 1 4 4 GLU N N 4 125.884 125.884 119.720 6.164 25260 2169 1 27 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.926 0.349 25260 2170 1 27 . 1 1 4 4 GLU CA C 4 57.314 57.314 60.077 -2.763 25260 2171 1 27 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.172 -1.183 25260 2172 1 27 . 1 1 4 4 GLU H H 4 8.161 8.161 7.933 0.228 25260 2173 1 27 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.024 0.076 25260 2174 1 27 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.214 -0.369 25260 2175 1 27 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.744 0.581 25260 2176 1 27 . 1 1 5 5 GLN H H 5 8.299 8.299 7.907 0.392 25260 2177 1 27 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.376 0.570 25260 2178 1 27 . 1 1 6 6 CYS H H 6 8.337 8.337 8.109 0.228 25260 2179 1 27 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.287 0.582 25260 2180 1 27 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.951 -4.715 25260 2181 1 27 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.890 12.104 25260 2182 1 27 . 1 1 7 7 CYS H H 7 8.297 8.297 8.454 -0.157 25260 2183 1 27 . 1 1 8 8 THR N N 8 122.151 122.151 113.810 8.341 25260 2184 1 27 . 1 1 8 8 THR HA H 8 4.087 4.087 4.429 -0.342 25260 2185 1 27 . 1 1 8 8 THR CA C 8 64.845 64.845 63.875 0.970 25260 2186 1 27 . 1 1 8 8 THR CB C 8 68.652 68.652 69.019 -0.367 25260 2187 1 27 . 1 1 8 8 THR H H 8 8.270 8.270 8.329 -0.059 25260 2188 1 27 . 1 1 9 9 SER HA H 9 4.801 4.801 4.638 0.163 25260 2189 1 27 . 1 1 9 9 SER CA C 9 56.219 56.219 56.988 -0.769 25260 2190 1 27 . 1 1 9 9 SER CB C 9 64.263 64.263 65.229 -0.966 25260 2191 1 27 . 1 1 9 9 SER H H 9 7.471 7.471 7.808 -0.337 25260 2192 1 27 . 1 1 10 10 ILE N N 10 119.738 119.738 120.925 -1.187 25260 2193 1 27 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.043 0.335 25260 2194 1 27 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.581 -1.500 25260 2195 1 27 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.614 2.627 25260 2196 1 27 . 1 1 10 10 ILE H H 10 7.857 7.857 8.189 -0.332 25260 2197 1 27 . 1 1 11 11 CYS H H 11 9.732 9.732 8.869 0.863 25260 2198 1 27 . 1 1 12 12 SER N N 12 119.584 119.584 119.293 0.291 25260 2199 1 27 . 1 1 12 12 SER HA H 12 4.616 4.616 4.869 -0.253 25260 2200 1 27 . 1 1 12 12 SER CA C 12 56.713 56.713 57.022 -0.309 25260 2201 1 27 . 1 1 12 12 SER CB C 12 65.844 65.844 65.655 0.189 25260 2202 1 27 . 1 1 12 12 SER H H 12 8.788 8.788 8.701 0.087 25260 2203 1 27 . 1 1 13 13 LEU N N 13 123.958 123.958 118.807 5.151 25260 2204 1 27 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.048 -0.177 25260 2205 1 27 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.610 0.892 25260 2206 1 27 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.941 0.392 25260 2207 1 27 . 1 1 13 13 LEU H H 13 8.647 8.647 8.526 0.121 25260 2208 1 27 . 1 1 14 14 TYR N N 14 117.677 117.677 117.376 0.301 25260 2209 1 27 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.626 -0.450 25260 2210 1 27 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.475 -0.258 25260 2211 1 27 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.441 0.397 25260 2212 1 27 . 1 1 14 14 TYR H H 14 7.509 7.509 7.208 0.301 25260 2213 1 27 . 1 1 15 15 GLN N N 15 120.146 120.146 117.260 2.886 25260 2214 1 27 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.187 -0.182 25260 2215 1 27 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.612 1.062 25260 2216 1 27 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.459 0.737 25260 2217 1 27 . 1 1 15 15 GLN H H 15 7.576 7.576 7.642 -0.066 25260 2218 1 27 . 1 1 16 16 LEU N N 16 122.310 122.310 121.106 1.204 25260 2219 1 27 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.149 0.042 25260 2220 1 27 . 1 1 16 16 LEU CA C 16 58.313 58.313 58.006 0.307 25260 2221 1 27 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.644 0.550 25260 2222 1 27 . 1 1 16 16 LEU H H 16 8.116 8.116 8.489 -0.373 25260 2223 1 27 . 1 1 17 17 GLU N N 17 116.342 116.342 118.889 -2.547 25260 2224 1 27 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.042 0.168 25260 2225 1 27 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.425 -1.681 25260 2226 1 27 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.263 -1.515 25260 2227 1 27 . 1 1 17 17 GLU H H 17 8.099 8.099 8.381 -0.282 25260 2228 1 27 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.542 -0.041 25260 2229 1 27 . 1 1 18 18 ASN CA C 18 54.944 54.944 54.976 -0.032 25260 2230 1 27 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.344 0.249 25260 2231 1 27 . 1 1 18 18 ASN H H 18 7.447 7.447 7.823 -0.376 25260 2232 1 27 . 1 1 19 19 TYR N N 19 118.955 118.955 117.483 1.472 25260 2233 1 27 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.386 0.094 25260 2234 1 27 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.614 -0.404 25260 2235 1 27 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.430 -0.133 25260 2236 1 27 . 1 1 19 19 TYR H H 19 7.934 7.934 7.607 0.327 25260 2237 1 27 . 1 1 20 20 CYS N N 20 118.333 118.333 119.310 -0.977 25260 2238 1 27 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.549 0.354 25260 2239 1 27 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.824 -4.922 25260 2240 1 27 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.591 8.595 25260 2241 1 27 . 1 1 20 20 CYS H H 20 7.457 7.457 7.653 -0.196 25260 2242 1 28 . 1 1 2 2 ILE N N 2 123.472 123.472 120.447 3.025 25260 2243 1 28 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.767 0.210 25260 2244 1 28 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.364 -4.287 25260 2245 1 28 . 1 1 2 2 ILE H H 2 8.536 8.536 8.468 0.068 25260 2246 1 28 . 1 1 3 3 VAL N N 3 125.510 125.510 119.620 5.890 25260 2247 1 28 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.969 -0.284 25260 2248 1 28 . 1 1 3 3 VAL CA C 3 65.327 65.327 66.302 -0.975 25260 2249 1 28 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.496 0.568 25260 2250 1 28 . 1 1 3 3 VAL H H 3 8.149 8.149 8.075 0.074 25260 2251 1 28 . 1 1 4 4 GLU N N 4 125.884 125.884 119.379 6.505 25260 2252 1 28 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.051 0.224 25260 2253 1 28 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.764 -2.450 25260 2254 1 28 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.038 -1.049 25260 2255 1 28 . 1 1 4 4 GLU H H 4 8.161 8.161 7.830 0.331 25260 2256 1 28 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.108 -0.008 25260 2257 1 28 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.441 0.404 25260 2258 1 28 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.096 1.229 25260 2259 1 28 . 1 1 5 5 GLN H H 5 8.299 8.299 7.915 0.384 25260 2260 1 28 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.430 0.516 25260 2261 1 28 . 1 1 6 6 CYS H H 6 8.337 8.337 7.885 0.452 25260 2262 1 28 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.303 0.566 25260 2263 1 28 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.868 -4.632 25260 2264 1 28 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.205 11.789 25260 2265 1 28 . 1 1 7 7 CYS H H 7 8.297 8.297 8.432 -0.135 25260 2266 1 28 . 1 1 8 8 THR N N 8 122.151 122.151 113.553 8.598 25260 2267 1 28 . 1 1 8 8 THR HA H 8 4.087 4.087 4.335 -0.248 25260 2268 1 28 . 1 1 8 8 THR CA C 8 64.845 64.845 63.826 1.019 25260 2269 1 28 . 1 1 8 8 THR CB C 8 68.652 68.652 69.427 -0.775 25260 2270 1 28 . 1 1 8 8 THR H H 8 8.270 8.270 8.207 0.063 25260 2271 1 28 . 1 1 9 9 SER HA H 9 4.801 4.801 4.702 0.099 25260 2272 1 28 . 1 1 9 9 SER CA C 9 56.219 56.219 56.603 -0.384 25260 2273 1 28 . 1 1 9 9 SER CB C 9 64.263 64.263 64.774 -0.511 25260 2274 1 28 . 1 1 9 9 SER H H 9 7.471 7.471 7.738 -0.267 25260 2275 1 28 . 1 1 10 10 ILE N N 10 119.738 119.738 122.414 -2.676 25260 2276 1 28 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.185 0.193 25260 2277 1 28 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.490 -0.408 25260 2278 1 28 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.543 2.698 25260 2279 1 28 . 1 1 10 10 ILE H H 10 7.857 7.857 8.291 -0.434 25260 2280 1 28 . 1 1 11 11 CYS H H 11 9.732 9.732 8.888 0.844 25260 2281 1 28 . 1 1 12 12 SER N N 12 119.584 119.584 119.647 -0.063 25260 2282 1 28 . 1 1 12 12 SER HA H 12 4.616 4.616 4.611 0.005 25260 2283 1 28 . 1 1 12 12 SER CA C 12 56.713 56.713 57.116 -0.403 25260 2284 1 28 . 1 1 12 12 SER CB C 12 65.844 65.844 64.481 1.363 25260 2285 1 28 . 1 1 12 12 SER H H 12 8.788 8.788 8.552 0.236 25260 2286 1 28 . 1 1 13 13 LEU N N 13 123.958 123.958 120.183 3.775 25260 2287 1 28 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.030 -0.159 25260 2288 1 28 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.297 1.205 25260 2289 1 28 . 1 1 13 13 LEU CB C 13 41.333 41.333 41.139 0.194 25260 2290 1 28 . 1 1 13 13 LEU H H 13 8.647 8.647 8.578 0.069 25260 2291 1 28 . 1 1 14 14 TYR N N 14 117.677 117.677 117.092 0.585 25260 2292 1 28 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.202 -0.026 25260 2293 1 28 . 1 1 14 14 TYR CA C 14 60.217 60.217 61.242 -1.024 25260 2294 1 28 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.526 0.312 25260 2295 1 28 . 1 1 14 14 TYR H H 14 7.509 7.509 7.260 0.249 25260 2296 1 28 . 1 1 15 15 GLN N N 15 120.146 120.146 117.495 2.651 25260 2297 1 28 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.246 -0.241 25260 2298 1 28 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.864 0.810 25260 2299 1 28 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.752 0.444 25260 2300 1 28 . 1 1 15 15 GLN H H 15 7.576 7.576 7.806 -0.230 25260 2301 1 28 . 1 1 16 16 LEU N N 16 122.310 122.310 121.356 0.954 25260 2302 1 28 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.263 -0.072 25260 2303 1 28 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.997 0.316 25260 2304 1 28 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.566 0.629 25260 2305 1 28 . 1 1 16 16 LEU H H 16 8.116 8.116 8.187 -0.071 25260 2306 1 28 . 1 1 17 17 GLU N N 17 116.342 116.342 118.918 -2.576 25260 2307 1 28 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.048 0.162 25260 2308 1 28 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.323 -1.579 25260 2309 1 28 . 1 1 17 17 GLU CB C 17 27.748 27.748 28.810 -1.062 25260 2310 1 28 . 1 1 17 17 GLU H H 17 8.099 8.099 8.375 -0.276 25260 2311 1 28 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.555 -0.054 25260 2312 1 28 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.466 -0.522 25260 2313 1 28 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.256 0.337 25260 2314 1 28 . 1 1 18 18 ASN H H 18 7.447 7.447 7.855 -0.408 25260 2315 1 28 . 1 1 19 19 TYR N N 19 118.955 118.955 117.355 1.600 25260 2316 1 28 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.381 0.099 25260 2317 1 28 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.735 -0.525 25260 2318 1 28 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.474 -0.177 25260 2319 1 28 . 1 1 19 19 TYR H H 19 7.934 7.934 7.842 0.092 25260 2320 1 28 . 1 1 20 20 CYS N N 20 118.333 118.333 118.564 -0.231 25260 2321 1 28 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.755 0.148 25260 2322 1 28 . 1 1 20 20 CYS CA C 20 53.902 53.902 57.490 -3.588 25260 2323 1 28 . 1 1 20 20 CYS CB C 20 36.186 36.186 28.793 7.393 25260 2324 1 28 . 1 1 20 20 CYS H H 20 7.457 7.457 7.716 -0.259 25260 2325 1 29 . 1 1 2 2 ILE N N 2 123.472 123.472 122.025 1.447 25260 2326 1 29 . 1 1 2 2 ILE HA H 2 3.977 3.977 4.046 -0.069 25260 2327 1 29 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.457 -4.380 25260 2328 1 29 . 1 1 2 2 ILE H H 2 8.536 8.536 8.588 -0.052 25260 2329 1 29 . 1 1 3 3 VAL N N 3 125.510 125.510 120.384 5.126 25260 2330 1 29 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.963 -0.278 25260 2331 1 29 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.362 -0.035 25260 2332 1 29 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.633 0.431 25260 2333 1 29 . 1 1 3 3 VAL H H 3 8.149 8.149 7.996 0.153 25260 2334 1 29 . 1 1 4 4 GLU N N 4 125.884 125.884 119.679 6.205 25260 2335 1 29 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.975 0.300 25260 2336 1 29 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.805 -2.491 25260 2337 1 29 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.384 -1.395 25260 2338 1 29 . 1 1 4 4 GLU H H 4 8.161 8.161 7.842 0.319 25260 2339 1 29 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.074 0.026 25260 2340 1 29 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.019 -0.174 25260 2341 1 29 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.742 0.583 25260 2342 1 29 . 1 1 5 5 GLN H H 5 8.299 8.299 8.144 0.155 25260 2343 1 29 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.394 0.552 25260 2344 1 29 . 1 1 6 6 CYS H H 6 8.337 8.337 8.127 0.210 25260 2345 1 29 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.273 0.596 25260 2346 1 29 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.970 -4.734 25260 2347 1 29 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.034 11.960 25260 2348 1 29 . 1 1 7 7 CYS H H 7 8.297 8.297 8.348 -0.051 25260 2349 1 29 . 1 1 8 8 THR N N 8 122.151 122.151 114.990 7.161 25260 2350 1 29 . 1 1 8 8 THR HA H 8 4.087 4.087 4.345 -0.258 25260 2351 1 29 . 1 1 8 8 THR CA C 8 64.845 64.845 63.503 1.342 25260 2352 1 29 . 1 1 8 8 THR CB C 8 68.652 68.652 69.145 -0.493 25260 2353 1 29 . 1 1 8 8 THR H H 8 8.270 8.270 8.209 0.061 25260 2354 1 29 . 1 1 9 9 SER HA H 9 4.801 4.801 4.676 0.125 25260 2355 1 29 . 1 1 9 9 SER CA C 9 56.219 56.219 56.924 -0.705 25260 2356 1 29 . 1 1 9 9 SER CB C 9 64.263 64.263 65.725 -1.462 25260 2357 1 29 . 1 1 9 9 SER H H 9 7.471 7.471 8.061 -0.590 25260 2358 1 29 . 1 1 10 10 ILE N N 10 119.738 119.738 121.353 -1.615 25260 2359 1 29 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.106 0.272 25260 2360 1 29 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.851 -0.769 25260 2361 1 29 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.199 3.042 25260 2362 1 29 . 1 1 10 10 ILE H H 10 7.857 7.857 8.356 -0.499 25260 2363 1 29 . 1 1 11 11 CYS H H 11 9.732 9.732 8.806 0.926 25260 2364 1 29 . 1 1 12 12 SER N N 12 119.584 119.584 119.906 -0.322 25260 2365 1 29 . 1 1 12 12 SER HA H 12 4.616 4.616 4.458 0.158 25260 2366 1 29 . 1 1 12 12 SER CA C 12 56.713 56.713 58.759 -2.046 25260 2367 1 29 . 1 1 12 12 SER CB C 12 65.844 65.844 64.111 1.733 25260 2368 1 29 . 1 1 12 12 SER H H 12 8.788 8.788 7.920 0.868 25260 2369 1 29 . 1 1 13 13 LEU N N 13 123.958 123.958 120.591 3.367 25260 2370 1 29 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.045 -0.173 25260 2371 1 29 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.969 0.533 25260 2372 1 29 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.731 0.602 25260 2373 1 29 . 1 1 13 13 LEU H H 13 8.647 8.647 8.566 0.081 25260 2374 1 29 . 1 1 14 14 TYR N N 14 117.677 117.677 117.402 0.275 25260 2375 1 29 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.242 -0.066 25260 2376 1 29 . 1 1 14 14 TYR CA C 14 60.217 60.217 61.087 -0.871 25260 2377 1 29 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.260 0.578 25260 2378 1 29 . 1 1 14 14 TYR H H 14 7.509 7.509 7.632 -0.123 25260 2379 1 29 . 1 1 15 15 GLN N N 15 120.146 120.146 117.858 2.288 25260 2380 1 29 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.226 -0.221 25260 2381 1 29 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.824 0.850 25260 2382 1 29 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.302 0.894 25260 2383 1 29 . 1 1 15 15 GLN H H 15 7.576 7.576 7.892 -0.316 25260 2384 1 29 . 1 1 16 16 LEU N N 16 122.310 122.310 121.163 1.147 25260 2385 1 29 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.212 -0.021 25260 2386 1 29 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.896 0.417 25260 2387 1 29 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.586 0.609 25260 2388 1 29 . 1 1 16 16 LEU H H 16 8.116 8.116 8.258 -0.141 25260 2389 1 29 . 1 1 17 17 GLU N N 17 116.342 116.342 118.198 -1.856 25260 2390 1 29 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.108 0.102 25260 2391 1 29 . 1 1 17 17 GLU CA C 17 57.744 57.744 58.995 -1.252 25260 2392 1 29 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.103 -1.355 25260 2393 1 29 . 1 1 17 17 GLU H H 17 8.099 8.099 8.211 -0.112 25260 2394 1 29 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.563 -0.062 25260 2395 1 29 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.324 -0.380 25260 2396 1 29 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.827 -0.234 25260 2397 1 29 . 1 1 18 18 ASN H H 18 7.447 7.447 7.839 -0.392 25260 2398 1 29 . 1 1 19 19 TYR N N 19 118.955 118.955 118.074 0.881 25260 2399 1 29 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.427 0.053 25260 2400 1 29 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.602 -0.392 25260 2401 1 29 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.812 -0.515 25260 2402 1 29 . 1 1 19 19 TYR H H 19 7.934 7.934 7.719 0.215 25260 2403 1 29 . 1 1 20 20 CYS N N 20 118.333 118.333 120.723 -2.390 25260 2404 1 29 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.414 0.489 25260 2405 1 29 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.798 -5.896 25260 2406 1 29 . 1 1 20 20 CYS CB C 20 36.186 36.186 25.002 11.184 25260 2407 1 29 . 1 1 20 20 CYS H H 20 7.457 7.457 7.631 -0.174 25260 2408 1 30 . 1 1 2 2 ILE N N 2 123.472 123.472 122.593 0.879 25260 2409 1 30 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.891 0.086 25260 2410 1 30 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.446 -4.369 25260 2411 1 30 . 1 1 2 2 ILE H H 2 8.536 8.536 8.568 -0.032 25260 2412 1 30 . 1 1 3 3 VAL N N 3 125.510 125.510 120.279 5.231 25260 2413 1 30 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.029 -0.344 25260 2414 1 30 . 1 1 3 3 VAL CA C 3 65.327 65.327 66.013 -0.686 25260 2415 1 30 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.215 0.849 25260 2416 1 30 . 1 1 3 3 VAL H H 3 8.149 8.149 8.017 0.132 25260 2417 1 30 . 1 1 4 4 GLU N N 4 125.884 125.884 118.879 7.005 25260 2418 1 30 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.091 0.184 25260 2419 1 30 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.350 -2.037 25260 2420 1 30 . 1 1 4 4 GLU CB C 4 27.989 27.989 28.440 -0.451 25260 2421 1 30 . 1 1 4 4 GLU H H 4 8.161 8.161 8.559 -0.398 25260 2422 1 30 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.085 0.015 25260 2423 1 30 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.193 -0.348 25260 2424 1 30 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.874 0.451 25260 2425 1 30 . 1 1 5 5 GLN H H 5 8.299 8.299 7.735 0.564 25260 2426 1 30 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.606 0.340 25260 2427 1 30 . 1 1 6 6 CYS H H 6 8.337 8.337 8.222 0.115 25260 2428 1 30 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.399 0.470 25260 2429 1 30 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.453 -4.218 25260 2430 1 30 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.951 12.043 25260 2431 1 30 . 1 1 7 7 CYS H H 7 8.297 8.297 8.096 0.201 25260 2432 1 30 . 1 1 8 8 THR N N 8 122.151 122.151 114.698 7.453 25260 2433 1 30 . 1 1 8 8 THR HA H 8 4.087 4.087 4.383 -0.296 25260 2434 1 30 . 1 1 8 8 THR CA C 8 64.845 64.845 63.729 1.116 25260 2435 1 30 . 1 1 8 8 THR CB C 8 68.652 68.652 69.706 -1.054 25260 2436 1 30 . 1 1 8 8 THR H H 8 8.270 8.270 8.261 0.009 25260 2437 1 30 . 1 1 9 9 SER HA H 9 4.801 4.801 4.778 0.023 25260 2438 1 30 . 1 1 9 9 SER CA C 9 56.219 56.219 56.806 -0.587 25260 2439 1 30 . 1 1 9 9 SER CB C 9 64.263 64.263 65.618 -1.355 25260 2440 1 30 . 1 1 9 9 SER H H 9 7.471 7.471 7.798 -0.327 25260 2441 1 30 . 1 1 10 10 ILE N N 10 119.738 119.738 122.129 -2.391 25260 2442 1 30 . 1 1 10 10 ILE HA H 10 4.378 4.378 3.979 0.399 25260 2443 1 30 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.960 -1.878 25260 2444 1 30 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.419 1.822 25260 2445 1 30 . 1 1 10 10 ILE H H 10 7.857 7.857 8.516 -0.659 25260 2446 1 30 . 1 1 11 11 CYS H H 11 9.732 9.732 8.322 1.410 25260 2447 1 30 . 1 1 12 12 SER N N 12 119.584 119.584 117.740 1.844 25260 2448 1 30 . 1 1 12 12 SER HA H 12 4.616 4.616 4.401 0.215 25260 2449 1 30 . 1 1 12 12 SER CA C 12 56.713 56.713 57.947 -1.234 25260 2450 1 30 . 1 1 12 12 SER CB C 12 65.844 65.844 64.172 1.672 25260 2451 1 30 . 1 1 12 12 SER H H 12 8.788 8.788 8.122 0.666 25260 2452 1 30 . 1 1 13 13 LEU N N 13 123.958 123.958 117.182 6.776 25260 2453 1 30 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.013 -0.142 25260 2454 1 30 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.411 1.091 25260 2455 1 30 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.939 0.394 25260 2456 1 30 . 1 1 13 13 LEU H H 13 8.647 8.647 8.480 0.167 25260 2457 1 30 . 1 1 14 14 TYR N N 14 117.677 117.677 116.619 1.058 25260 2458 1 30 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.220 -0.044 25260 2459 1 30 . 1 1 14 14 TYR CA C 14 60.217 60.217 61.102 -0.885 25260 2460 1 30 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.502 0.336 25260 2461 1 30 . 1 1 14 14 TYR H H 14 7.509 7.509 7.288 0.221 25260 2462 1 30 . 1 1 15 15 GLN N N 15 120.146 120.146 117.370 2.776 25260 2463 1 30 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.240 -0.235 25260 2464 1 30 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.901 0.773 25260 2465 1 30 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.861 0.335 25260 2466 1 30 . 1 1 15 15 GLN H H 15 7.576 7.576 7.869 -0.293 25260 2467 1 30 . 1 1 16 16 LEU N N 16 122.310 122.310 121.027 1.283 25260 2468 1 30 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.291 -0.100 25260 2469 1 30 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.955 0.358 25260 2470 1 30 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.447 0.747 25260 2471 1 30 . 1 1 16 16 LEU H H 16 8.116 8.116 8.234 -0.118 25260 2472 1 30 . 1 1 17 17 GLU N N 17 116.342 116.342 119.245 -2.903 25260 2473 1 30 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.033 0.177 25260 2474 1 30 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.421 -1.677 25260 2475 1 30 . 1 1 17 17 GLU CB C 17 27.748 27.748 28.856 -1.108 25260 2476 1 30 . 1 1 17 17 GLU H H 17 8.099 8.099 8.235 -0.136 25260 2477 1 30 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.503 -0.002 25260 2478 1 30 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.276 -0.332 25260 2479 1 30 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.442 0.151 25260 2480 1 30 . 1 1 18 18 ASN H H 18 7.447 7.447 7.840 -0.393 25260 2481 1 30 . 1 1 19 19 TYR N N 19 118.955 118.955 116.473 2.482 25260 2482 1 30 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.440 0.040 25260 2483 1 30 . 1 1 19 19 TYR CA C 19 59.210 59.210 58.977 0.232 25260 2484 1 30 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.415 -0.118 25260 2485 1 30 . 1 1 19 19 TYR H H 19 7.934 7.934 7.720 0.214 25260 2486 1 30 . 1 1 20 20 CYS N N 20 118.333 118.333 120.093 -1.760 25260 2487 1 30 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.431 0.472 25260 2488 1 30 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.354 -5.452 25260 2489 1 30 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.266 8.920 25260 2490 1 30 . 1 1 20 20 CYS H H 20 7.457 7.457 7.745 -0.288 25260 2491 1 31 . 1 1 2 2 ILE N N 2 123.472 123.472 121.003 2.469 25260 2492 1 31 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.884 0.093 25260 2493 1 31 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.502 -4.426 25260 2494 1 31 . 1 1 2 2 ILE H H 2 8.536 8.536 8.502 0.034 25260 2495 1 31 . 1 1 3 3 VAL N N 3 125.510 125.510 121.874 3.636 25260 2496 1 31 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.115 -0.430 25260 2497 1 31 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.406 -0.079 25260 2498 1 31 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.450 0.614 25260 2499 1 31 . 1 1 3 3 VAL H H 3 8.149 8.149 8.040 0.109 25260 2500 1 31 . 1 1 4 4 GLU N N 4 125.884 125.884 119.406 6.478 25260 2501 1 31 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.015 0.260 25260 2502 1 31 . 1 1 4 4 GLU CA C 4 57.314 57.314 60.109 -2.795 25260 2503 1 31 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.291 -1.302 25260 2504 1 31 . 1 1 4 4 GLU H H 4 8.161 8.161 8.677 -0.516 25260 2505 1 31 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.122 -0.022 25260 2506 1 31 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.638 0.207 25260 2507 1 31 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.478 0.847 25260 2508 1 31 . 1 1 5 5 GLN H H 5 8.299 8.299 7.949 0.350 25260 2509 1 31 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.297 0.649 25260 2510 1 31 . 1 1 6 6 CYS H H 6 8.337 8.337 8.141 0.196 25260 2511 1 31 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.281 0.588 25260 2512 1 31 . 1 1 7 7 CYS CA C 7 57.236 57.236 62.090 -4.854 25260 2513 1 31 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.754 12.240 25260 2514 1 31 . 1 1 7 7 CYS H H 7 8.297 8.297 8.516 -0.219 25260 2515 1 31 . 1 1 8 8 THR N N 8 122.151 122.151 113.188 8.963 25260 2516 1 31 . 1 1 8 8 THR HA H 8 4.087 4.087 4.407 -0.320 25260 2517 1 31 . 1 1 8 8 THR CA C 8 64.845 64.845 63.986 0.859 25260 2518 1 31 . 1 1 8 8 THR CB C 8 68.652 68.652 69.463 -0.811 25260 2519 1 31 . 1 1 8 8 THR H H 8 8.270 8.270 7.991 0.279 25260 2520 1 31 . 1 1 9 9 SER HA H 9 4.801 4.801 4.686 0.115 25260 2521 1 31 . 1 1 9 9 SER CA C 9 56.219 56.219 56.708 -0.488 25260 2522 1 31 . 1 1 9 9 SER CB C 9 64.263 64.263 65.029 -0.766 25260 2523 1 31 . 1 1 9 9 SER H H 9 7.471 7.471 7.848 -0.378 25260 2524 1 31 . 1 1 10 10 ILE N N 10 119.738 119.738 122.302 -2.564 25260 2525 1 31 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.086 0.292 25260 2526 1 31 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.961 -0.879 25260 2527 1 31 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.459 2.782 25260 2528 1 31 . 1 1 10 10 ILE H H 10 7.857 7.857 8.313 -0.456 25260 2529 1 31 . 1 1 11 11 CYS H H 11 9.732 9.732 8.805 0.927 25260 2530 1 31 . 1 1 12 12 SER N N 12 119.584 119.584 121.337 -1.753 25260 2531 1 31 . 1 1 12 12 SER HA H 12 4.616 4.616 4.530 0.086 25260 2532 1 31 . 1 1 12 12 SER CA C 12 56.713 56.713 57.647 -0.934 25260 2533 1 31 . 1 1 12 12 SER CB C 12 65.844 65.844 64.383 1.460 25260 2534 1 31 . 1 1 12 12 SER H H 12 8.788 8.788 8.030 0.758 25260 2535 1 31 . 1 1 13 13 LEU N N 13 123.958 123.958 119.068 4.890 25260 2536 1 31 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.035 -0.164 25260 2537 1 31 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.685 0.816 25260 2538 1 31 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.642 0.691 25260 2539 1 31 . 1 1 13 13 LEU H H 13 8.647 8.647 8.573 0.074 25260 2540 1 31 . 1 1 14 14 TYR N N 14 117.677 117.677 117.379 0.298 25260 2541 1 31 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.242 -0.066 25260 2542 1 31 . 1 1 14 14 TYR CA C 14 60.217 60.217 61.026 -0.809 25260 2543 1 31 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.382 0.456 25260 2544 1 31 . 1 1 14 14 TYR H H 14 7.509 7.509 7.538 -0.029 25260 2545 1 31 . 1 1 15 15 GLN N N 15 120.146 120.146 118.028 2.118 25260 2546 1 31 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.186 -0.181 25260 2547 1 31 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.187 0.487 25260 2548 1 31 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.596 0.600 25260 2549 1 31 . 1 1 15 15 GLN H H 15 7.576 7.576 7.650 -0.074 25260 2550 1 31 . 1 1 16 16 LEU N N 16 122.310 122.310 121.045 1.265 25260 2551 1 31 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.265 -0.074 25260 2552 1 31 . 1 1 16 16 LEU CA C 16 58.313 58.313 58.031 0.282 25260 2553 1 31 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.735 0.459 25260 2554 1 31 . 1 1 16 16 LEU H H 16 8.116 8.116 8.591 -0.475 25260 2555 1 31 . 1 1 17 17 GLU N N 17 116.342 116.342 118.708 -2.366 25260 2556 1 31 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.083 0.127 25260 2557 1 31 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.390 -1.646 25260 2558 1 31 . 1 1 17 17 GLU CB C 17 27.748 27.748 28.976 -1.228 25260 2559 1 31 . 1 1 17 17 GLU H H 17 8.099 8.099 8.350 -0.251 25260 2560 1 31 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.526 -0.025 25260 2561 1 31 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.035 -0.091 25260 2562 1 31 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.588 0.005 25260 2563 1 31 . 1 1 18 18 ASN H H 18 7.447 7.447 7.799 -0.352 25260 2564 1 31 . 1 1 19 19 TYR N N 19 118.955 118.955 116.540 2.415 25260 2565 1 31 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.464 0.016 25260 2566 1 31 . 1 1 19 19 TYR CA C 19 59.210 59.210 58.891 0.320 25260 2567 1 31 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.517 -0.220 25260 2568 1 31 . 1 1 19 19 TYR H H 19 7.934 7.934 7.621 0.313 25260 2569 1 31 . 1 1 20 20 CYS N N 20 118.333 118.333 119.502 -1.169 25260 2570 1 31 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.573 0.330 25260 2571 1 31 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.767 -4.865 25260 2572 1 31 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.837 8.350 25260 2573 1 31 . 1 1 20 20 CYS H H 20 7.457 7.457 7.640 -0.183 25260 2574 1 32 . 1 1 2 2 ILE N N 2 123.472 123.472 120.875 2.597 25260 2575 1 32 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.768 0.209 25260 2576 1 32 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.398 -4.321 25260 2577 1 32 . 1 1 2 2 ILE H H 2 8.536 8.536 8.532 0.004 25260 2578 1 32 . 1 1 3 3 VAL N N 3 125.510 125.510 120.610 4.900 25260 2579 1 32 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.020 -0.335 25260 2580 1 32 . 1 1 3 3 VAL CA C 3 65.327 65.327 66.256 -0.929 25260 2581 1 32 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.420 0.644 25260 2582 1 32 . 1 1 3 3 VAL H H 3 8.149 8.149 7.918 0.231 25260 2583 1 32 . 1 1 4 4 GLU N N 4 125.884 125.884 119.390 6.494 25260 2584 1 32 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.003 0.272 25260 2585 1 32 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.767 -2.453 25260 2586 1 32 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.349 -1.359 25260 2587 1 32 . 1 1 4 4 GLU H H 4 8.161 8.161 8.463 -0.302 25260 2588 1 32 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.132 -0.032 25260 2589 1 32 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.204 0.641 25260 2590 1 32 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.093 1.232 25260 2591 1 32 . 1 1 5 5 GLN H H 5 8.299 8.299 8.275 0.024 25260 2592 1 32 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.572 0.374 25260 2593 1 32 . 1 1 6 6 CYS H H 6 8.337 8.337 7.917 0.420 25260 2594 1 32 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.369 0.500 25260 2595 1 32 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.516 -4.279 25260 2596 1 32 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.136 11.858 25260 2597 1 32 . 1 1 7 7 CYS H H 7 8.297 8.297 8.245 0.052 25260 2598 1 32 . 1 1 8 8 THR N N 8 122.151 122.151 113.772 8.379 25260 2599 1 32 . 1 1 8 8 THR HA H 8 4.087 4.087 4.259 -0.172 25260 2600 1 32 . 1 1 8 8 THR CA C 8 64.845 64.845 63.900 0.945 25260 2601 1 32 . 1 1 8 8 THR CB C 8 68.652 68.652 68.963 -0.311 25260 2602 1 32 . 1 1 8 8 THR H H 8 8.270 8.270 8.288 -0.018 25260 2603 1 32 . 1 1 9 9 SER HA H 9 4.801 4.801 4.687 0.114 25260 2604 1 32 . 1 1 9 9 SER CA C 9 56.219 56.219 57.000 -0.781 25260 2605 1 32 . 1 1 9 9 SER CB C 9 64.263 64.263 65.486 -1.223 25260 2606 1 32 . 1 1 9 9 SER H H 9 7.471 7.471 8.102 -0.631 25260 2607 1 32 . 1 1 10 10 ILE N N 10 119.738 119.738 120.821 -1.083 25260 2608 1 32 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.157 0.221 25260 2609 1 32 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.063 -0.981 25260 2610 1 32 . 1 1 10 10 ILE CB C 10 39.241 39.241 38.397 0.844 25260 2611 1 32 . 1 1 10 10 ILE H H 10 7.857 7.857 8.289 -0.432 25260 2612 1 32 . 1 1 11 11 CYS H H 11 9.732 9.732 8.863 0.869 25260 2613 1 32 . 1 1 12 12 SER N N 12 119.584 119.584 120.112 -0.528 25260 2614 1 32 . 1 1 12 12 SER HA H 12 4.616 4.616 4.516 0.100 25260 2615 1 32 . 1 1 12 12 SER CA C 12 56.713 56.713 57.797 -1.085 25260 2616 1 32 . 1 1 12 12 SER CB C 12 65.844 65.844 64.243 1.601 25260 2617 1 32 . 1 1 12 12 SER H H 12 8.788 8.788 8.571 0.217 25260 2618 1 32 . 1 1 13 13 LEU N N 13 123.958 123.958 120.923 3.035 25260 2619 1 32 . 1 1 13 13 LEU HA H 13 3.871 3.871 3.989 -0.118 25260 2620 1 32 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.916 0.586 25260 2621 1 32 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.728 0.605 25260 2622 1 32 . 1 1 13 13 LEU H H 13 8.647 8.647 8.587 0.060 25260 2623 1 32 . 1 1 14 14 TYR N N 14 117.677 117.677 116.437 1.240 25260 2624 1 32 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.733 -0.557 25260 2625 1 32 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.169 0.048 25260 2626 1 32 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.363 0.475 25260 2627 1 32 . 1 1 14 14 TYR H H 14 7.509 7.509 7.514 -0.005 25260 2628 1 32 . 1 1 15 15 GLN N N 15 120.146 120.146 117.275 2.871 25260 2629 1 32 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.245 -0.240 25260 2630 1 32 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.808 0.866 25260 2631 1 32 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.793 0.403 25260 2632 1 32 . 1 1 15 15 GLN H H 15 7.576 7.576 7.788 -0.212 25260 2633 1 32 . 1 1 16 16 LEU N N 16 122.310 122.310 121.294 1.016 25260 2634 1 32 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.253 -0.062 25260 2635 1 32 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.927 0.386 25260 2636 1 32 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.633 0.561 25260 2637 1 32 . 1 1 16 16 LEU H H 16 8.116 8.116 8.306 -0.190 25260 2638 1 32 . 1 1 17 17 GLU N N 17 116.342 116.342 119.288 -2.946 25260 2639 1 32 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.053 0.157 25260 2640 1 32 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.236 -1.492 25260 2641 1 32 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.116 -1.369 25260 2642 1 32 . 1 1 17 17 GLU H H 17 8.099 8.099 8.352 -0.253 25260 2643 1 32 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.514 -0.013 25260 2644 1 32 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.518 -0.574 25260 2645 1 32 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.502 0.091 25260 2646 1 32 . 1 1 18 18 ASN H H 18 7.447 7.447 7.767 -0.320 25260 2647 1 32 . 1 1 19 19 TYR N N 19 118.955 118.955 117.166 1.789 25260 2648 1 32 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.404 0.076 25260 2649 1 32 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.748 -0.538 25260 2650 1 32 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.639 -0.342 25260 2651 1 32 . 1 1 19 19 TYR H H 19 7.934 7.934 7.724 0.210 25260 2652 1 32 . 1 1 20 20 CYS N N 20 118.333 118.333 119.488 -1.155 25260 2653 1 32 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.661 0.242 25260 2654 1 32 . 1 1 20 20 CYS CA C 20 53.902 53.902 57.951 -4.049 25260 2655 1 32 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.949 8.237 25260 2656 1 32 . 1 1 20 20 CYS H H 20 7.457 7.457 7.623 -0.166 25260 2657 1 33 . 1 1 2 2 ILE N N 2 123.472 123.472 122.373 1.099 25260 2658 1 33 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.808 0.169 25260 2659 1 33 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.172 -4.096 25260 2660 1 33 . 1 1 2 2 ILE H H 2 8.536 8.536 8.474 0.062 25260 2661 1 33 . 1 1 3 3 VAL N N 3 125.510 125.510 120.242 5.268 25260 2662 1 33 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.065 -0.380 25260 2663 1 33 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.794 -0.467 25260 2664 1 33 . 1 1 3 3 VAL CB C 3 32.064 32.064 30.661 1.403 25260 2665 1 33 . 1 1 3 3 VAL H H 3 8.149 8.149 8.068 0.081 25260 2666 1 33 . 1 1 4 4 GLU N N 4 125.884 125.884 119.968 5.916 25260 2667 1 33 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.080 0.195 25260 2668 1 33 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.727 -2.413 25260 2669 1 33 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.145 -1.156 25260 2670 1 33 . 1 1 4 4 GLU H H 4 8.161 8.161 8.671 -0.510 25260 2671 1 33 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.124 -0.024 25260 2672 1 33 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.012 -0.167 25260 2673 1 33 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.541 0.784 25260 2674 1 33 . 1 1 5 5 GLN H H 5 8.299 8.299 8.138 0.161 25260 2675 1 33 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.573 0.373 25260 2676 1 33 . 1 1 6 6 CYS H H 6 8.337 8.337 8.036 0.301 25260 2677 1 33 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.286 0.583 25260 2678 1 33 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.303 -4.067 25260 2679 1 33 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.015 11.979 25260 2680 1 33 . 1 1 7 7 CYS H H 7 8.297 8.297 8.404 -0.107 25260 2681 1 33 . 1 1 8 8 THR N N 8 122.151 122.151 113.265 8.886 25260 2682 1 33 . 1 1 8 8 THR HA H 8 4.087 4.087 4.412 -0.325 25260 2683 1 33 . 1 1 8 8 THR CA C 8 64.845 64.845 63.913 0.932 25260 2684 1 33 . 1 1 8 8 THR CB C 8 68.652 68.652 69.343 -0.691 25260 2685 1 33 . 1 1 8 8 THR H H 8 8.270 8.270 8.249 0.021 25260 2686 1 33 . 1 1 9 9 SER HA H 9 4.801 4.801 4.698 0.103 25260 2687 1 33 . 1 1 9 9 SER CA C 9 56.219 56.219 57.167 -0.948 25260 2688 1 33 . 1 1 9 9 SER CB C 9 64.263 64.263 65.682 -1.419 25260 2689 1 33 . 1 1 9 9 SER H H 9 7.471 7.471 7.712 -0.241 25260 2690 1 33 . 1 1 10 10 ILE N N 10 119.738 119.738 122.537 -2.799 25260 2691 1 33 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.153 0.225 25260 2692 1 33 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.038 -0.956 25260 2693 1 33 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.829 1.412 25260 2694 1 33 . 1 1 10 10 ILE H H 10 7.857 7.857 8.298 -0.441 25260 2695 1 33 . 1 1 11 11 CYS H H 11 9.732 9.732 8.413 1.319 25260 2696 1 33 . 1 1 12 12 SER N N 12 119.584 119.584 117.824 1.760 25260 2697 1 33 . 1 1 12 12 SER HA H 12 4.616 4.616 4.574 0.042 25260 2698 1 33 . 1 1 12 12 SER CA C 12 56.713 56.713 57.240 -0.527 25260 2699 1 33 . 1 1 12 12 SER CB C 12 65.844 65.844 64.493 1.351 25260 2700 1 33 . 1 1 12 12 SER H H 12 8.788 8.788 8.272 0.516 25260 2701 1 33 . 1 1 13 13 LEU N N 13 123.958 123.958 117.625 6.333 25260 2702 1 33 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.101 -0.230 25260 2703 1 33 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.242 1.260 25260 2704 1 33 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.947 0.386 25260 2705 1 33 . 1 1 13 13 LEU H H 13 8.647 8.647 8.497 0.150 25260 2706 1 33 . 1 1 14 14 TYR N N 14 117.677 117.677 117.549 0.128 25260 2707 1 33 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.218 -0.042 25260 2708 1 33 . 1 1 14 14 TYR CA C 14 60.217 60.217 61.280 -1.063 25260 2709 1 33 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.636 0.202 25260 2710 1 33 . 1 1 14 14 TYR H H 14 7.509 7.509 7.145 0.364 25260 2711 1 33 . 1 1 15 15 GLN N N 15 120.146 120.146 117.678 2.468 25260 2712 1 33 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.168 -0.163 25260 2713 1 33 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.026 0.648 25260 2714 1 33 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.501 0.695 25260 2715 1 33 . 1 1 15 15 GLN H H 15 7.576 7.576 7.618 -0.042 25260 2716 1 33 . 1 1 16 16 LEU N N 16 122.310 122.310 121.222 1.088 25260 2717 1 33 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.292 -0.101 25260 2718 1 33 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.986 0.327 25260 2719 1 33 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.712 0.482 25260 2720 1 33 . 1 1 16 16 LEU H H 16 8.116 8.116 8.544 -0.428 25260 2721 1 33 . 1 1 17 17 GLU N N 17 116.342 116.342 118.626 -2.284 25260 2722 1 33 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.126 0.084 25260 2723 1 33 . 1 1 17 17 GLU CA C 17 57.744 57.744 58.843 -1.099 25260 2724 1 33 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.032 -1.284 25260 2725 1 33 . 1 1 17 17 GLU H H 17 8.099 8.099 8.105 -0.006 25260 2726 1 33 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.522 -0.021 25260 2727 1 33 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.559 -0.615 25260 2728 1 33 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.494 0.099 25260 2729 1 33 . 1 1 18 18 ASN H H 18 7.447 7.447 7.833 -0.386 25260 2730 1 33 . 1 1 19 19 TYR N N 19 118.955 118.955 116.692 2.263 25260 2731 1 33 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.425 0.055 25260 2732 1 33 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.113 0.097 25260 2733 1 33 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.304 -0.007 25260 2734 1 33 . 1 1 19 19 TYR H H 19 7.934 7.934 7.680 0.254 25260 2735 1 33 . 1 1 20 20 CYS N N 20 118.333 118.333 120.308 -1.975 25260 2736 1 33 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.430 0.473 25260 2737 1 33 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.241 -5.339 25260 2738 1 33 . 1 1 20 20 CYS CB C 20 36.186 36.186 26.947 9.239 25260 2739 1 33 . 1 1 20 20 CYS H H 20 7.457 7.457 7.720 -0.263 25260 2740 1 34 . 1 1 2 2 ILE N N 2 123.472 123.472 120.651 2.821 25260 2741 1 34 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.902 0.075 25260 2742 1 34 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.455 -4.378 25260 2743 1 34 . 1 1 2 2 ILE H H 2 8.536 8.536 8.396 0.140 25260 2744 1 34 . 1 1 3 3 VAL N N 3 125.510 125.510 119.115 6.395 25260 2745 1 34 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.822 -0.137 25260 2746 1 34 . 1 1 3 3 VAL CA C 3 65.327 65.327 64.755 0.572 25260 2747 1 34 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.862 0.202 25260 2748 1 34 . 1 1 3 3 VAL H H 3 8.149 8.149 8.315 -0.166 25260 2749 1 34 . 1 1 4 4 GLU N N 4 125.884 125.884 119.339 6.545 25260 2750 1 34 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.083 0.192 25260 2751 1 34 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.410 -2.096 25260 2752 1 34 . 1 1 4 4 GLU CB C 4 27.989 27.989 28.930 -0.941 25260 2753 1 34 . 1 1 4 4 GLU H H 4 8.161 8.161 7.718 0.443 25260 2754 1 34 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.178 -0.078 25260 2755 1 34 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.608 0.237 25260 2756 1 34 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.588 0.737 25260 2757 1 34 . 1 1 5 5 GLN H H 5 8.299 8.299 8.018 0.281 25260 2758 1 34 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.606 0.340 25260 2759 1 34 . 1 1 6 6 CYS H H 6 8.337 8.337 7.845 0.492 25260 2760 1 34 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.394 0.475 25260 2761 1 34 . 1 1 7 7 CYS CA C 7 57.236 57.236 60.763 -3.527 25260 2762 1 34 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.835 11.159 25260 2763 1 34 . 1 1 7 7 CYS H H 7 8.297 8.297 8.022 0.275 25260 2764 1 34 . 1 1 8 8 THR N N 8 122.151 122.151 114.064 8.087 25260 2765 1 34 . 1 1 8 8 THR HA H 8 4.087 4.087 4.172 -0.085 25260 2766 1 34 . 1 1 8 8 THR CA C 8 64.845 64.845 64.241 0.604 25260 2767 1 34 . 1 1 8 8 THR CB C 8 68.652 68.652 68.921 -0.269 25260 2768 1 34 . 1 1 8 8 THR H H 8 8.270 8.270 8.250 0.020 25260 2769 1 34 . 1 1 9 9 SER HA H 9 4.801 4.801 4.603 0.198 25260 2770 1 34 . 1 1 9 9 SER CA C 9 56.219 56.219 56.810 -0.591 25260 2771 1 34 . 1 1 9 9 SER CB C 9 64.263 64.263 64.210 0.053 25260 2772 1 34 . 1 1 9 9 SER H H 9 7.471 7.471 7.615 -0.144 25260 2773 1 34 . 1 1 10 10 ILE N N 10 119.738 119.738 122.711 -2.973 25260 2774 1 34 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.322 0.056 25260 2775 1 34 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.426 -0.344 25260 2776 1 34 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.718 1.523 25260 2777 1 34 . 1 1 10 10 ILE H H 10 7.857 7.857 8.304 -0.447 25260 2778 1 34 . 1 1 11 11 CYS H H 11 9.732 9.732 8.378 1.354 25260 2779 1 34 . 1 1 12 12 SER N N 12 119.584 119.584 117.018 2.566 25260 2780 1 34 . 1 1 12 12 SER HA H 12 4.616 4.616 4.565 0.051 25260 2781 1 34 . 1 1 12 12 SER CA C 12 56.713 56.713 57.037 -0.324 25260 2782 1 34 . 1 1 12 12 SER CB C 12 65.844 65.844 64.565 1.279 25260 2783 1 34 . 1 1 12 12 SER H H 12 8.788 8.788 8.131 0.657 25260 2784 1 34 . 1 1 13 13 LEU N N 13 123.958 123.958 118.854 5.104 25260 2785 1 34 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.057 -0.186 25260 2786 1 34 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.448 1.054 25260 2787 1 34 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.641 0.692 25260 2788 1 34 . 1 1 13 13 LEU H H 13 8.647 8.647 8.520 0.127 25260 2789 1 34 . 1 1 14 14 TYR N N 14 117.677 117.677 117.103 0.574 25260 2790 1 34 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.224 -0.048 25260 2791 1 34 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.808 -0.591 25260 2792 1 34 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.358 0.479 25260 2793 1 34 . 1 1 14 14 TYR H H 14 7.509 7.509 7.488 0.021 25260 2794 1 34 . 1 1 15 15 GLN N N 15 120.146 120.146 117.763 2.383 25260 2795 1 34 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.219 -0.214 25260 2796 1 34 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.549 0.125 25260 2797 1 34 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.891 0.305 25260 2798 1 34 . 1 1 15 15 GLN H H 15 7.576 7.576 7.594 -0.018 25260 2799 1 34 . 1 1 16 16 LEU N N 16 122.310 122.310 120.843 1.467 25260 2800 1 34 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.053 0.138 25260 2801 1 34 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.919 0.395 25260 2802 1 34 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.488 0.706 25260 2803 1 34 . 1 1 16 16 LEU H H 16 8.116 8.116 8.272 -0.156 25260 2804 1 34 . 1 1 17 17 GLU N N 17 116.342 116.342 119.135 -2.793 25260 2805 1 34 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.101 0.110 25260 2806 1 34 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.110 -1.366 25260 2807 1 34 . 1 1 17 17 GLU CB C 17 27.748 27.748 28.819 -1.071 25260 2808 1 34 . 1 1 17 17 GLU H H 17 8.099 8.099 8.050 0.049 25260 2809 1 34 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.535 -0.034 25260 2810 1 34 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.112 -0.168 25260 2811 1 34 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.450 0.143 25260 2812 1 34 . 1 1 18 18 ASN H H 18 7.447 7.447 7.922 -0.475 25260 2813 1 34 . 1 1 19 19 TYR N N 19 118.955 118.955 116.559 2.396 25260 2814 1 34 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.505 -0.025 25260 2815 1 34 . 1 1 19 19 TYR CA C 19 59.210 59.210 58.442 0.768 25260 2816 1 34 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.376 -0.079 25260 2817 1 34 . 1 1 19 19 TYR H H 19 7.934 7.934 7.907 0.027 25260 2818 1 34 . 1 1 20 20 CYS N N 20 118.333 118.333 119.888 -1.555 25260 2819 1 34 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.503 0.400 25260 2820 1 34 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.272 -5.370 25260 2821 1 34 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.179 9.007 25260 2822 1 34 . 1 1 20 20 CYS H H 20 7.457 7.457 7.600 -0.143 25260 2823 1 35 . 1 1 2 2 ILE N N 2 123.472 123.472 121.500 1.972 25260 2824 1 35 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.818 0.159 25260 2825 1 35 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.368 -4.291 25260 2826 1 35 . 1 1 2 2 ILE H H 2 8.536 8.536 8.462 0.074 25260 2827 1 35 . 1 1 3 3 VAL N N 3 125.510 125.510 118.645 6.865 25260 2828 1 35 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.895 -0.210 25260 2829 1 35 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.358 -0.031 25260 2830 1 35 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.542 0.522 25260 2831 1 35 . 1 1 3 3 VAL H H 3 8.149 8.149 7.860 0.289 25260 2832 1 35 . 1 1 4 4 GLU N N 4 125.884 125.884 118.449 7.435 25260 2833 1 35 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.022 0.253 25260 2834 1 35 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.063 -1.749 25260 2835 1 35 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.113 -1.124 25260 2836 1 35 . 1 1 4 4 GLU H H 4 8.161 8.161 7.916 0.245 25260 2837 1 35 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.034 0.066 25260 2838 1 35 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.186 -0.341 25260 2839 1 35 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.647 0.678 25260 2840 1 35 . 1 1 5 5 GLN H H 5 8.299 8.299 7.774 0.525 25260 2841 1 35 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.699 0.247 25260 2842 1 35 . 1 1 6 6 CYS H H 6 8.337 8.337 8.550 -0.213 25260 2843 1 35 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.337 0.532 25260 2844 1 35 . 1 1 7 7 CYS CA C 7 57.236 57.236 60.922 -3.686 25260 2845 1 35 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.088 11.906 25260 2846 1 35 . 1 1 7 7 CYS H H 7 8.297 8.297 8.381 -0.084 25260 2847 1 35 . 1 1 8 8 THR N N 8 122.151 122.151 114.233 7.918 25260 2848 1 35 . 1 1 8 8 THR HA H 8 4.087 4.087 4.244 -0.157 25260 2849 1 35 . 1 1 8 8 THR CA C 8 64.845 64.845 63.700 1.145 25260 2850 1 35 . 1 1 8 8 THR CB C 8 68.652 68.652 68.893 -0.241 25260 2851 1 35 . 1 1 8 8 THR H H 8 8.270 8.270 8.252 0.018 25260 2852 1 35 . 1 1 9 9 SER HA H 9 4.801 4.801 4.672 0.129 25260 2853 1 35 . 1 1 9 9 SER CA C 9 56.219 56.219 56.896 -0.677 25260 2854 1 35 . 1 1 9 9 SER CB C 9 64.263 64.263 65.299 -1.036 25260 2855 1 35 . 1 1 9 9 SER H H 9 7.471 7.471 7.641 -0.170 25260 2856 1 35 . 1 1 10 10 ILE N N 10 119.738 119.738 120.963 -1.225 25260 2857 1 35 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.243 0.135 25260 2858 1 35 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.558 -0.476 25260 2859 1 35 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.496 1.745 25260 2860 1 35 . 1 1 10 10 ILE H H 10 7.857 7.857 8.228 -0.371 25260 2861 1 35 . 1 1 11 11 CYS H H 11 9.732 9.732 8.419 1.313 25260 2862 1 35 . 1 1 12 12 SER N N 12 119.584 119.584 117.042 2.542 25260 2863 1 35 . 1 1 12 12 SER HA H 12 4.616 4.616 4.643 -0.027 25260 2864 1 35 . 1 1 12 12 SER CA C 12 56.713 56.713 57.244 -0.531 25260 2865 1 35 . 1 1 12 12 SER CB C 12 65.844 65.844 64.772 1.072 25260 2866 1 35 . 1 1 12 12 SER H H 12 8.788 8.788 8.651 0.137 25260 2867 1 35 . 1 1 13 13 LEU N N 13 123.958 123.958 117.415 6.543 25260 2868 1 35 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.077 -0.206 25260 2869 1 35 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.207 1.295 25260 2870 1 35 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.944 0.389 25260 2871 1 35 . 1 1 13 13 LEU H H 13 8.647 8.647 8.435 0.212 25260 2872 1 35 . 1 1 14 14 TYR N N 14 117.677 117.677 117.221 0.456 25260 2873 1 35 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.625 -0.449 25260 2874 1 35 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.206 0.011 25260 2875 1 35 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.430 0.408 25260 2876 1 35 . 1 1 14 14 TYR H H 14 7.509 7.509 7.030 0.479 25260 2877 1 35 . 1 1 15 15 GLN N N 15 120.146 120.146 117.863 2.283 25260 2878 1 35 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.144 -0.139 25260 2879 1 35 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.683 -0.009 25260 2880 1 35 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.854 0.342 25260 2881 1 35 . 1 1 15 15 GLN H H 15 7.576 7.576 7.577 -0.001 25260 2882 1 35 . 1 1 16 16 LEU N N 16 122.310 122.310 120.786 1.524 25260 2883 1 35 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.200 -0.009 25260 2884 1 35 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.752 0.561 25260 2885 1 35 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.740 0.453 25260 2886 1 35 . 1 1 16 16 LEU H H 16 8.116 8.116 8.004 0.112 25260 2887 1 35 . 1 1 17 17 GLU N N 17 116.342 116.342 119.041 -2.699 25260 2888 1 35 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.052 0.158 25260 2889 1 35 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.347 -1.603 25260 2890 1 35 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.186 -1.438 25260 2891 1 35 . 1 1 17 17 GLU H H 17 8.099 8.099 8.085 0.014 25260 2892 1 35 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.549 -0.048 25260 2893 1 35 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.036 -0.092 25260 2894 1 35 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.198 0.395 25260 2895 1 35 . 1 1 18 18 ASN H H 18 7.447 7.447 7.804 -0.357 25260 2896 1 35 . 1 1 19 19 TYR N N 19 118.955 118.955 117.607 1.348 25260 2897 1 35 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.393 0.087 25260 2898 1 35 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.393 -1.183 25260 2899 1 35 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.567 -0.270 25260 2900 1 35 . 1 1 19 19 TYR H H 19 7.934 7.934 7.861 0.073 25260 2901 1 35 . 1 1 20 20 CYS N N 20 118.333 118.333 118.605 -0.272 25260 2902 1 35 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.536 0.367 25260 2903 1 35 . 1 1 20 20 CYS CA C 20 53.902 53.902 57.945 -4.043 25260 2904 1 35 . 1 1 20 20 CYS CB C 20 36.186 36.186 24.574 11.612 25260 2905 1 35 . 1 1 20 20 CYS H H 20 7.457 7.457 7.672 -0.215 25260 2906 1 36 . 1 1 2 2 ILE N N 2 123.472 123.472 120.997 2.475 25260 2907 1 36 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.777 0.200 25260 2908 1 36 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.173 -4.096 25260 2909 1 36 . 1 1 2 2 ILE H H 2 8.536 8.536 8.395 0.141 25260 2910 1 36 . 1 1 3 3 VAL N N 3 125.510 125.510 120.533 4.977 25260 2911 1 36 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.983 -0.298 25260 2912 1 36 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.542 -0.215 25260 2913 1 36 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.124 0.940 25260 2914 1 36 . 1 1 3 3 VAL H H 3 8.149 8.149 8.184 -0.035 25260 2915 1 36 . 1 1 4 4 GLU N N 4 125.884 125.884 119.686 6.198 25260 2916 1 36 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.087 0.188 25260 2917 1 36 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.613 -2.299 25260 2918 1 36 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.096 -1.107 25260 2919 1 36 . 1 1 4 4 GLU H H 4 8.161 8.161 7.869 0.292 25260 2920 1 36 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.100 -0.000 25260 2921 1 36 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.445 0.400 25260 2922 1 36 . 1 1 5 5 GLN CB C 5 29.325 29.325 27.904 1.421 25260 2923 1 36 . 1 1 5 5 GLN H H 5 8.299 8.299 7.949 0.350 25260 2924 1 36 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.782 0.164 25260 2925 1 36 . 1 1 6 6 CYS H H 6 8.337 8.337 8.138 0.199 25260 2926 1 36 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.265 0.604 25260 2927 1 36 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.356 -4.120 25260 2928 1 36 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.173 11.821 25260 2929 1 36 . 1 1 7 7 CYS H H 7 8.297 8.297 8.422 -0.125 25260 2930 1 36 . 1 1 8 8 THR N N 8 122.151 122.151 114.145 8.006 25260 2931 1 36 . 1 1 8 8 THR HA H 8 4.087 4.087 4.363 -0.276 25260 2932 1 36 . 1 1 8 8 THR CA C 8 64.845 64.845 63.580 1.266 25260 2933 1 36 . 1 1 8 8 THR CB C 8 68.652 68.652 69.171 -0.520 25260 2934 1 36 . 1 1 8 8 THR H H 8 8.270 8.270 8.187 0.083 25260 2935 1 36 . 1 1 9 9 SER HA H 9 4.801 4.801 4.684 0.117 25260 2936 1 36 . 1 1 9 9 SER CA C 9 56.219 56.219 56.865 -0.646 25260 2937 1 36 . 1 1 9 9 SER CB C 9 64.263 64.263 65.305 -1.042 25260 2938 1 36 . 1 1 9 9 SER H H 9 7.471 7.471 7.607 -0.136 25260 2939 1 36 . 1 1 10 10 ILE N N 10 119.738 119.738 121.128 -1.390 25260 2940 1 36 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.201 0.177 25260 2941 1 36 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.063 -0.981 25260 2942 1 36 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.070 2.171 25260 2943 1 36 . 1 1 10 10 ILE H H 10 7.857 7.857 8.247 -0.390 25260 2944 1 36 . 1 1 11 11 CYS H H 11 9.732 9.732 8.626 1.106 25260 2945 1 36 . 1 1 12 12 SER N N 12 119.584 119.584 116.605 2.979 25260 2946 1 36 . 1 1 12 12 SER HA H 12 4.616 4.616 4.822 -0.206 25260 2947 1 36 . 1 1 12 12 SER CA C 12 56.713 56.713 56.996 -0.283 25260 2948 1 36 . 1 1 12 12 SER CB C 12 65.844 65.844 65.504 0.340 25260 2949 1 36 . 1 1 12 12 SER H H 12 8.788 8.788 8.467 0.321 25260 2950 1 36 . 1 1 13 13 LEU N N 13 123.958 123.958 117.872 6.086 25260 2951 1 36 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.085 -0.214 25260 2952 1 36 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.274 1.228 25260 2953 1 36 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.925 0.408 25260 2954 1 36 . 1 1 13 13 LEU H H 13 8.647 8.647 8.489 0.158 25260 2955 1 36 . 1 1 14 14 TYR N N 14 117.677 117.677 116.200 1.477 25260 2956 1 36 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.294 -0.118 25260 2957 1 36 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.805 -0.588 25260 2958 1 36 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.623 0.215 25260 2959 1 36 . 1 1 14 14 TYR H H 14 7.509 7.509 7.168 0.341 25260 2960 1 36 . 1 1 15 15 GLN N N 15 120.146 120.146 117.753 2.393 25260 2961 1 36 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.216 -0.211 25260 2962 1 36 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.405 0.269 25260 2963 1 36 . 1 1 15 15 GLN CB C 15 29.196 29.196 29.064 0.132 25260 2964 1 36 . 1 1 15 15 GLN H H 15 7.576 7.576 7.659 -0.083 25260 2965 1 36 . 1 1 16 16 LEU N N 16 122.310 122.310 121.154 1.156 25260 2966 1 36 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.261 -0.070 25260 2967 1 36 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.919 0.394 25260 2968 1 36 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.639 0.555 25260 2969 1 36 . 1 1 16 16 LEU H H 16 8.116 8.116 8.478 -0.362 25260 2970 1 36 . 1 1 17 17 GLU N N 17 116.342 116.342 118.969 -2.627 25260 2971 1 36 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.065 0.145 25260 2972 1 36 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.350 -1.606 25260 2973 1 36 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.017 -1.269 25260 2974 1 36 . 1 1 17 17 GLU H H 17 8.099 8.099 8.084 0.015 25260 2975 1 36 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.594 -0.093 25260 2976 1 36 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.459 -0.515 25260 2977 1 36 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.456 0.137 25260 2978 1 36 . 1 1 18 18 ASN H H 18 7.447 7.447 7.901 -0.454 25260 2979 1 36 . 1 1 19 19 TYR N N 19 118.955 118.955 117.178 1.777 25260 2980 1 36 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.428 0.052 25260 2981 1 36 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.218 -0.007 25260 2982 1 36 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.396 -0.099 25260 2983 1 36 . 1 1 19 19 TYR H H 19 7.934 7.934 7.867 0.067 25260 2984 1 36 . 1 1 20 20 CYS N N 20 118.333 118.333 120.861 -2.528 25260 2985 1 36 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.471 0.432 25260 2986 1 36 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.904 -6.002 25260 2987 1 36 . 1 1 20 20 CYS CB C 20 36.186 36.186 26.909 9.277 25260 2988 1 36 . 1 1 20 20 CYS H H 20 7.457 7.457 7.691 -0.234 25260 2989 1 37 . 1 1 2 2 ILE N N 2 123.472 123.472 120.999 2.473 25260 2990 1 37 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.858 0.119 25260 2991 1 37 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.483 -4.405 25260 2992 1 37 . 1 1 2 2 ILE H H 2 8.536 8.536 8.556 -0.020 25260 2993 1 37 . 1 1 3 3 VAL N N 3 125.510 125.510 120.859 4.651 25260 2994 1 37 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.057 -0.372 25260 2995 1 37 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.998 -0.671 25260 2996 1 37 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.392 0.672 25260 2997 1 37 . 1 1 3 3 VAL H H 3 8.149 8.149 7.963 0.186 25260 2998 1 37 . 1 1 4 4 GLU N N 4 125.884 125.884 119.740 6.144 25260 2999 1 37 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.997 0.278 25260 3000 1 37 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.883 -2.568 25260 3001 1 37 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.271 -1.282 25260 3002 1 37 . 1 1 4 4 GLU H H 4 8.161 8.161 8.455 -0.294 25260 3003 1 37 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.073 0.027 25260 3004 1 37 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.127 -0.282 25260 3005 1 37 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.788 0.537 25260 3006 1 37 . 1 1 5 5 GLN H H 5 8.299 8.299 8.205 0.094 25260 3007 1 37 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.382 0.564 25260 3008 1 37 . 1 1 6 6 CYS H H 6 8.337 8.337 7.942 0.395 25260 3009 1 37 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.282 0.587 25260 3010 1 37 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.900 -4.664 25260 3011 1 37 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.133 11.861 25260 3012 1 37 . 1 1 7 7 CYS H H 7 8.297 8.297 8.263 0.034 25260 3013 1 37 . 1 1 8 8 THR N N 8 122.151 122.151 113.925 8.226 25260 3014 1 37 . 1 1 8 8 THR HA H 8 4.087 4.087 4.322 -0.235 25260 3015 1 37 . 1 1 8 8 THR CA C 8 64.845 64.845 63.830 1.015 25260 3016 1 37 . 1 1 8 8 THR CB C 8 68.652 68.652 69.477 -0.825 25260 3017 1 37 . 1 1 8 8 THR H H 8 8.270 8.270 8.078 0.192 25260 3018 1 37 . 1 1 9 9 SER HA H 9 4.801 4.801 4.700 0.101 25260 3019 1 37 . 1 1 9 9 SER CA C 9 56.219 56.219 56.583 -0.364 25260 3020 1 37 . 1 1 9 9 SER CB C 9 64.263 64.263 64.890 -0.627 25260 3021 1 37 . 1 1 9 9 SER H H 9 7.471 7.471 7.866 -0.395 25260 3022 1 37 . 1 1 10 10 ILE N N 10 119.738 119.738 122.221 -2.483 25260 3023 1 37 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.076 0.302 25260 3024 1 37 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.015 -0.933 25260 3025 1 37 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.670 2.571 25260 3026 1 37 . 1 1 10 10 ILE H H 10 7.857 7.857 8.305 -0.448 25260 3027 1 37 . 1 1 11 11 CYS H H 11 9.732 9.732 8.768 0.964 25260 3028 1 37 . 1 1 12 12 SER N N 12 119.584 119.584 121.093 -1.509 25260 3029 1 37 . 1 1 12 12 SER HA H 12 4.616 4.616 4.455 0.161 25260 3030 1 37 . 1 1 12 12 SER CA C 12 56.713 56.713 58.608 -1.895 25260 3031 1 37 . 1 1 12 12 SER CB C 12 65.844 65.844 64.191 1.653 25260 3032 1 37 . 1 1 12 12 SER H H 12 8.788 8.788 8.080 0.708 25260 3033 1 37 . 1 1 13 13 LEU N N 13 123.958 123.958 121.123 2.835 25260 3034 1 37 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.061 -0.190 25260 3035 1 37 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.852 0.650 25260 3036 1 37 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.828 0.505 25260 3037 1 37 . 1 1 13 13 LEU H H 13 8.647 8.647 8.556 0.091 25260 3038 1 37 . 1 1 14 14 TYR N N 14 117.677 117.677 116.913 0.764 25260 3039 1 37 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.440 -0.264 25260 3040 1 37 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.143 0.074 25260 3041 1 37 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.327 0.512 25260 3042 1 37 . 1 1 14 14 TYR H H 14 7.509 7.509 7.596 -0.087 25260 3043 1 37 . 1 1 15 15 GLN N N 15 120.146 120.146 117.971 2.175 25260 3044 1 37 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.183 -0.178 25260 3045 1 37 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.250 0.424 25260 3046 1 37 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.505 0.691 25260 3047 1 37 . 1 1 15 15 GLN H H 15 7.576 7.576 7.807 -0.231 25260 3048 1 37 . 1 1 16 16 LEU N N 16 122.310 122.310 120.977 1.333 25260 3049 1 37 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.257 -0.066 25260 3050 1 37 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.912 0.401 25260 3051 1 37 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.739 0.455 25260 3052 1 37 . 1 1 16 16 LEU H H 16 8.116 8.116 8.017 0.099 25260 3053 1 37 . 1 1 17 17 GLU N N 17 116.342 116.342 119.198 -2.856 25260 3054 1 37 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.090 0.120 25260 3055 1 37 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.141 -1.397 25260 3056 1 37 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.221 -1.473 25260 3057 1 37 . 1 1 17 17 GLU H H 17 8.099 8.099 8.227 -0.128 25260 3058 1 37 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.530 -0.029 25260 3059 1 37 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.146 -0.202 25260 3060 1 37 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.503 0.090 25260 3061 1 37 . 1 1 18 18 ASN H H 18 7.447 7.447 7.827 -0.380 25260 3062 1 37 . 1 1 19 19 TYR N N 19 118.955 118.955 116.618 2.337 25260 3063 1 37 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.491 -0.011 25260 3064 1 37 . 1 1 19 19 TYR CA C 19 59.210 59.210 58.522 0.688 25260 3065 1 37 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.555 -0.258 25260 3066 1 37 . 1 1 19 19 TYR H H 19 7.934 7.934 7.751 0.183 25260 3067 1 37 . 1 1 20 20 CYS N N 20 118.333 118.333 120.053 -1.720 25260 3068 1 37 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.486 0.417 25260 3069 1 37 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.065 -5.163 25260 3070 1 37 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.157 9.029 25260 3071 1 37 . 1 1 20 20 CYS H H 20 7.457 7.457 7.610 -0.153 25260 3072 1 38 . 1 1 2 2 ILE N N 2 123.472 123.472 122.176 1.296 25260 3073 1 38 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.799 0.178 25260 3074 1 38 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.406 -4.329 25260 3075 1 38 . 1 1 2 2 ILE H H 2 8.536 8.536 8.646 -0.110 25260 3076 1 38 . 1 1 3 3 VAL N N 3 125.510 125.510 119.468 6.042 25260 3077 1 38 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.003 -0.318 25260 3078 1 38 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.713 -0.386 25260 3079 1 38 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.778 0.286 25260 3080 1 38 . 1 1 3 3 VAL H H 3 8.149 8.149 8.235 -0.086 25260 3081 1 38 . 1 1 4 4 GLU N N 4 125.884 125.884 120.215 5.669 25260 3082 1 38 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.051 0.224 25260 3083 1 38 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.800 -2.486 25260 3084 1 38 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.065 -1.076 25260 3085 1 38 . 1 1 4 4 GLU H H 4 8.161 8.161 7.850 0.311 25260 3086 1 38 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.162 -0.062 25260 3087 1 38 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.304 -0.459 25260 3088 1 38 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.401 0.924 25260 3089 1 38 . 1 1 5 5 GLN H H 5 8.299 8.299 8.506 -0.207 25260 3090 1 38 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.460 0.486 25260 3091 1 38 . 1 1 6 6 CYS H H 6 8.337 8.337 8.270 0.067 25260 3092 1 38 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.317 0.552 25260 3093 1 38 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.741 -4.505 25260 3094 1 38 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.902 12.092 25260 3095 1 38 . 1 1 7 7 CYS H H 7 8.297 8.297 8.264 0.033 25260 3096 1 38 . 1 1 8 8 THR N N 8 122.151 122.151 114.247 7.904 25260 3097 1 38 . 1 1 8 8 THR HA H 8 4.087 4.087 4.410 -0.323 25260 3098 1 38 . 1 1 8 8 THR CA C 8 64.845 64.845 63.999 0.846 25260 3099 1 38 . 1 1 8 8 THR CB C 8 68.652 68.652 69.383 -0.731 25260 3100 1 38 . 1 1 8 8 THR H H 8 8.270 8.270 8.417 -0.147 25260 3101 1 38 . 1 1 9 9 SER HA H 9 4.801 4.801 4.668 0.133 25260 3102 1 38 . 1 1 9 9 SER CA C 9 56.219 56.219 56.433 -0.214 25260 3103 1 38 . 1 1 9 9 SER CB C 9 64.263 64.263 65.431 -1.169 25260 3104 1 38 . 1 1 9 9 SER H H 9 7.471 7.471 7.601 -0.130 25260 3105 1 38 . 1 1 10 10 ILE N N 10 119.738 119.738 121.144 -1.406 25260 3106 1 38 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.072 0.306 25260 3107 1 38 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.103 -1.021 25260 3108 1 38 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.984 2.257 25260 3109 1 38 . 1 1 10 10 ILE H H 10 7.857 7.857 8.228 -0.371 25260 3110 1 38 . 1 1 11 11 CYS H H 11 9.732 9.732 8.675 1.057 25260 3111 1 38 . 1 1 12 12 SER N N 12 119.584 119.584 122.523 -2.939 25260 3112 1 38 . 1 1 12 12 SER HA H 12 4.616 4.616 4.598 0.018 25260 3113 1 38 . 1 1 12 12 SER CA C 12 56.713 56.713 57.386 -0.673 25260 3114 1 38 . 1 1 12 12 SER CB C 12 65.844 65.844 64.500 1.344 25260 3115 1 38 . 1 1 12 12 SER H H 12 8.788 8.788 8.319 0.469 25260 3116 1 38 . 1 1 13 13 LEU N N 13 123.958 123.958 119.179 4.779 25260 3117 1 38 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.068 -0.197 25260 3118 1 38 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.564 0.938 25260 3119 1 38 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.642 0.690 25260 3120 1 38 . 1 1 13 13 LEU H H 13 8.647 8.647 8.536 0.111 25260 3121 1 38 . 1 1 14 14 TYR N N 14 117.677 117.677 117.699 -0.022 25260 3122 1 38 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.741 -0.565 25260 3123 1 38 . 1 1 14 14 TYR CA C 14 60.217 60.217 59.931 0.286 25260 3124 1 38 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.375 0.463 25260 3125 1 38 . 1 1 14 14 TYR H H 14 7.509 7.509 7.476 0.033 25260 3126 1 38 . 1 1 15 15 GLN N N 15 120.146 120.146 118.146 2.000 25260 3127 1 38 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.128 -0.123 25260 3128 1 38 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.424 0.250 25260 3129 1 38 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.583 0.613 25260 3130 1 38 . 1 1 15 15 GLN H H 15 7.576 7.576 7.603 -0.027 25260 3131 1 38 . 1 1 16 16 LEU N N 16 122.310 122.310 119.801 2.509 25260 3132 1 38 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.277 -0.086 25260 3133 1 38 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.812 0.501 25260 3134 1 38 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.855 0.339 25260 3135 1 38 . 1 1 16 16 LEU H H 16 8.116 8.116 8.159 -0.043 25260 3136 1 38 . 1 1 17 17 GLU N N 17 116.342 116.342 118.763 -2.421 25260 3137 1 38 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.085 0.125 25260 3138 1 38 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.277 -1.533 25260 3139 1 38 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.145 -1.397 25260 3140 1 38 . 1 1 17 17 GLU H H 17 8.099 8.099 8.432 -0.333 25260 3141 1 38 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.543 -0.042 25260 3142 1 38 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.139 -0.195 25260 3143 1 38 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.750 -0.157 25260 3144 1 38 . 1 1 18 18 ASN H H 18 7.447 7.447 7.755 -0.308 25260 3145 1 38 . 1 1 19 19 TYR N N 19 118.955 118.955 115.991 2.964 25260 3146 1 38 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.453 0.027 25260 3147 1 38 . 1 1 19 19 TYR CA C 19 59.210 59.210 58.696 0.514 25260 3148 1 38 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.427 -0.130 25260 3149 1 38 . 1 1 19 19 TYR H H 19 7.934 7.934 7.541 0.393 25260 3150 1 38 . 1 1 20 20 CYS N N 20 118.333 118.333 120.242 -1.909 25260 3151 1 38 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.458 0.445 25260 3152 1 38 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.225 -5.323 25260 3153 1 38 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.349 8.837 25260 3154 1 38 . 1 1 20 20 CYS H H 20 7.457 7.457 7.681 -0.224 25260 3155 1 39 . 1 1 2 2 ILE N N 2 123.472 123.472 121.691 1.781 25260 3156 1 39 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.822 0.155 25260 3157 1 39 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.438 -4.361 25260 3158 1 39 . 1 1 2 2 ILE H H 2 8.536 8.536 8.574 -0.038 25260 3159 1 39 . 1 1 3 3 VAL N N 3 125.510 125.510 119.681 5.829 25260 3160 1 39 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.946 -0.261 25260 3161 1 39 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.419 -0.092 25260 3162 1 39 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.728 0.336 25260 3163 1 39 . 1 1 3 3 VAL H H 3 8.149 8.149 8.077 0.072 25260 3164 1 39 . 1 1 4 4 GLU N N 4 125.884 125.884 119.506 6.378 25260 3165 1 39 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.990 0.285 25260 3166 1 39 . 1 1 4 4 GLU CA C 4 57.314 57.314 60.326 -3.012 25260 3167 1 39 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.065 -1.076 25260 3168 1 39 . 1 1 4 4 GLU H H 4 8.161 8.161 7.877 0.284 25260 3169 1 39 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.069 0.031 25260 3170 1 39 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.061 -0.216 25260 3171 1 39 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.785 0.540 25260 3172 1 39 . 1 1 5 5 GLN H H 5 8.299 8.299 8.324 -0.025 25260 3173 1 39 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.456 0.490 25260 3174 1 39 . 1 1 6 6 CYS H H 6 8.337 8.337 7.992 0.345 25260 3175 1 39 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.287 0.582 25260 3176 1 39 . 1 1 7 7 CYS CA C 7 57.236 57.236 62.106 -4.870 25260 3177 1 39 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.897 12.097 25260 3178 1 39 . 1 1 7 7 CYS H H 7 8.297 8.297 8.504 -0.207 25260 3179 1 39 . 1 1 8 8 THR N N 8 122.151 122.151 112.565 9.586 25260 3180 1 39 . 1 1 8 8 THR HA H 8 4.087 4.087 4.275 -0.188 25260 3181 1 39 . 1 1 8 8 THR CA C 8 64.845 64.845 63.943 0.902 25260 3182 1 39 . 1 1 8 8 THR CB C 8 68.652 68.652 69.073 -0.421 25260 3183 1 39 . 1 1 8 8 THR H H 8 8.270 8.270 8.226 0.044 25260 3184 1 39 . 1 1 9 9 SER HA H 9 4.801 4.801 4.708 0.093 25260 3185 1 39 . 1 1 9 9 SER CA C 9 56.219 56.219 56.696 -0.477 25260 3186 1 39 . 1 1 9 9 SER CB C 9 64.263 64.263 64.895 -0.632 25260 3187 1 39 . 1 1 9 9 SER H H 9 7.471 7.471 7.521 -0.050 25260 3188 1 39 . 1 1 10 10 ILE N N 10 119.738 119.738 121.494 -1.756 25260 3189 1 39 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.223 0.155 25260 3190 1 39 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.613 -0.531 25260 3191 1 39 . 1 1 10 10 ILE CB C 10 39.241 39.241 38.649 0.592 25260 3192 1 39 . 1 1 10 10 ILE H H 10 7.857 7.857 8.298 -0.441 25260 3193 1 39 . 1 1 11 11 CYS H H 11 9.732 9.732 8.807 0.925 25260 3194 1 39 . 1 1 12 12 SER N N 12 119.584 119.584 120.203 -0.619 25260 3195 1 39 . 1 1 12 12 SER HA H 12 4.616 4.616 4.622 -0.006 25260 3196 1 39 . 1 1 12 12 SER CA C 12 56.713 56.713 57.361 -0.648 25260 3197 1 39 . 1 1 12 12 SER CB C 12 65.844 65.844 64.467 1.377 25260 3198 1 39 . 1 1 12 12 SER H H 12 8.788 8.788 8.496 0.292 25260 3199 1 39 . 1 1 13 13 LEU N N 13 123.958 123.958 119.374 4.584 25260 3200 1 39 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.037 -0.166 25260 3201 1 39 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.671 0.831 25260 3202 1 39 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.651 0.681 25260 3203 1 39 . 1 1 13 13 LEU H H 13 8.647 8.647 8.576 0.071 25260 3204 1 39 . 1 1 14 14 TYR N N 14 117.677 117.677 116.961 0.716 25260 3205 1 39 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.711 -0.535 25260 3206 1 39 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.133 0.084 25260 3207 1 39 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.487 0.351 25260 3208 1 39 . 1 1 14 14 TYR H H 14 7.509 7.509 7.483 0.026 25260 3209 1 39 . 1 1 15 15 GLN N N 15 120.146 120.146 117.515 2.631 25260 3210 1 39 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.161 -0.156 25260 3211 1 39 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.243 0.431 25260 3212 1 39 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.751 0.445 25260 3213 1 39 . 1 1 15 15 GLN H H 15 7.576 7.576 7.612 -0.036 25260 3214 1 39 . 1 1 16 16 LEU N N 16 122.310 122.310 120.973 1.337 25260 3215 1 39 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.318 -0.127 25260 3216 1 39 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.902 0.411 25260 3217 1 39 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.715 0.479 25260 3218 1 39 . 1 1 16 16 LEU H H 16 8.116 8.116 8.443 -0.327 25260 3219 1 39 . 1 1 17 17 GLU N N 17 116.342 116.342 119.335 -2.993 25260 3220 1 39 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.024 0.186 25260 3221 1 39 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.356 -1.612 25260 3222 1 39 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.083 -1.335 25260 3223 1 39 . 1 1 17 17 GLU H H 17 8.099 8.099 8.288 -0.189 25260 3224 1 39 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.551 -0.050 25260 3225 1 39 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.638 -0.694 25260 3226 1 39 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.462 0.131 25260 3227 1 39 . 1 1 18 18 ASN H H 18 7.447 7.447 7.800 -0.353 25260 3228 1 39 . 1 1 19 19 TYR N N 19 118.955 118.955 116.922 2.033 25260 3229 1 39 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.438 0.042 25260 3230 1 39 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.245 -0.035 25260 3231 1 39 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.488 -0.191 25260 3232 1 39 . 1 1 19 19 TYR H H 19 7.934 7.934 7.790 0.144 25260 3233 1 39 . 1 1 20 20 CYS N N 20 118.333 118.333 120.303 -1.970 25260 3234 1 39 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.488 0.415 25260 3235 1 39 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.974 -5.072 25260 3236 1 39 . 1 1 20 20 CYS CB C 20 36.186 36.186 25.084 11.101 25260 3237 1 39 . 1 1 20 20 CYS H H 20 7.457 7.457 7.708 -0.251 25260 3238 1 40 . 1 1 2 2 ILE N N 2 123.472 123.472 122.070 1.402 25260 3239 1 40 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.836 0.141 25260 3240 1 40 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.438 -4.361 25260 3241 1 40 . 1 1 2 2 ILE H H 2 8.536 8.536 8.571 -0.035 25260 3242 1 40 . 1 1 3 3 VAL N N 3 125.510 125.510 120.797 4.713 25260 3243 1 40 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.050 -0.365 25260 3244 1 40 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.460 -0.133 25260 3245 1 40 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.458 0.606 25260 3246 1 40 . 1 1 3 3 VAL H H 3 8.149 8.149 8.041 0.108 25260 3247 1 40 . 1 1 4 4 GLU N N 4 125.884 125.884 119.909 5.975 25260 3248 1 40 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.008 0.267 25260 3249 1 40 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.990 -2.676 25260 3250 1 40 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.356 -1.367 25260 3251 1 40 . 1 1 4 4 GLU H H 4 8.161 8.161 8.456 -0.295 25260 3252 1 40 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.081 0.019 25260 3253 1 40 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.297 -0.452 25260 3254 1 40 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.776 0.549 25260 3255 1 40 . 1 1 5 5 GLN H H 5 8.299 8.299 8.421 -0.122 25260 3256 1 40 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.374 0.572 25260 3257 1 40 . 1 1 6 6 CYS H H 6 8.337 8.337 8.326 0.011 25260 3258 1 40 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.268 0.601 25260 3259 1 40 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.992 -4.756 25260 3260 1 40 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.015 11.979 25260 3261 1 40 . 1 1 7 7 CYS H H 7 8.297 8.297 8.277 0.020 25260 3262 1 40 . 1 1 8 8 THR N N 8 122.151 122.151 114.256 7.895 25260 3263 1 40 . 1 1 8 8 THR HA H 8 4.087 4.087 4.393 -0.306 25260 3264 1 40 . 1 1 8 8 THR CA C 8 64.845 64.845 63.619 1.226 25260 3265 1 40 . 1 1 8 8 THR CB C 8 68.652 68.652 69.130 -0.478 25260 3266 1 40 . 1 1 8 8 THR H H 8 8.270 8.270 8.223 0.047 25260 3267 1 40 . 1 1 9 9 SER HA H 9 4.801 4.801 4.677 0.124 25260 3268 1 40 . 1 1 9 9 SER CA C 9 56.219 56.219 56.991 -0.772 25260 3269 1 40 . 1 1 9 9 SER CB C 9 64.263 64.263 65.519 -1.256 25260 3270 1 40 . 1 1 9 9 SER H H 9 7.471 7.471 8.089 -0.618 25260 3271 1 40 . 1 1 10 10 ILE N N 10 119.738 119.738 121.327 -1.589 25260 3272 1 40 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.068 0.310 25260 3273 1 40 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.979 -0.897 25260 3274 1 40 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.221 3.020 25260 3275 1 40 . 1 1 10 10 ILE H H 10 7.857 7.857 8.293 -0.436 25260 3276 1 40 . 1 1 11 11 CYS H H 11 9.732 9.732 8.697 1.035 25260 3277 1 40 . 1 1 12 12 SER N N 12 119.584 119.584 122.561 -2.977 25260 3278 1 40 . 1 1 12 12 SER HA H 12 4.616 4.616 4.568 0.048 25260 3279 1 40 . 1 1 12 12 SER CA C 12 56.713 56.713 57.484 -0.771 25260 3280 1 40 . 1 1 12 12 SER CB C 12 65.844 65.844 64.462 1.382 25260 3281 1 40 . 1 1 12 12 SER H H 12 8.788 8.788 8.238 0.550 25260 3282 1 40 . 1 1 13 13 LEU N N 13 123.958 123.958 119.120 4.838 25260 3283 1 40 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.059 -0.188 25260 3284 1 40 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.621 0.881 25260 3285 1 40 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.644 0.689 25260 3286 1 40 . 1 1 13 13 LEU H H 13 8.647 8.647 8.546 0.101 25260 3287 1 40 . 1 1 14 14 TYR N N 14 117.677 117.677 117.808 -0.131 25260 3288 1 40 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.732 -0.556 25260 3289 1 40 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.036 0.181 25260 3290 1 40 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.343 0.495 25260 3291 1 40 . 1 1 14 14 TYR H H 14 7.509 7.509 7.524 -0.015 25260 3292 1 40 . 1 1 15 15 GLN N N 15 120.146 120.146 118.245 1.901 25260 3293 1 40 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.133 -0.128 25260 3294 1 40 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.634 0.040 25260 3295 1 40 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.622 0.574 25260 3296 1 40 . 1 1 15 15 GLN H H 15 7.576 7.576 7.620 -0.044 25260 3297 1 40 . 1 1 16 16 LEU N N 16 122.310 122.310 119.701 2.609 25260 3298 1 40 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.241 -0.050 25260 3299 1 40 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.802 0.511 25260 3300 1 40 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.857 0.337 25260 3301 1 40 . 1 1 16 16 LEU H H 16 8.116 8.116 8.058 0.058 25260 3302 1 40 . 1 1 17 17 GLU N N 17 116.342 116.342 119.260 -2.918 25260 3303 1 40 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.079 0.131 25260 3304 1 40 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.459 -1.715 25260 3305 1 40 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.249 -1.501 25260 3306 1 40 . 1 1 17 17 GLU H H 17 8.099 8.099 8.369 -0.270 25260 3307 1 40 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.522 -0.021 25260 3308 1 40 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.554 -0.610 25260 3309 1 40 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.617 -0.024 25260 3310 1 40 . 1 1 18 18 ASN H H 18 7.447 7.447 7.652 -0.205 25260 3311 1 40 . 1 1 19 19 TYR N N 19 118.955 118.955 117.001 1.954 25260 3312 1 40 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.396 0.084 25260 3313 1 40 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.691 -0.481 25260 3314 1 40 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.636 -0.339 25260 3315 1 40 . 1 1 19 19 TYR H H 19 7.934 7.934 7.566 0.368 25260 3316 1 40 . 1 1 20 20 CYS N N 20 118.333 118.333 119.145 -0.812 25260 3317 1 40 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.605 0.298 25260 3318 1 40 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.443 -4.541 25260 3319 1 40 . 1 1 20 20 CYS CB C 20 36.186 36.186 28.100 8.086 25260 3320 1 40 . 1 1 20 20 CYS H H 20 7.457 7.457 7.645 -0.188 25260 3321 1 41 . 1 1 2 2 ILE N N 2 123.472 123.472 121.340 2.132 25260 3322 1 41 . 1 1 2 2 ILE HA H 2 3.977 3.977 4.185 -0.208 25260 3323 1 41 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.641 -4.564 25260 3324 1 41 . 1 1 2 2 ILE H H 2 8.536 8.536 8.557 -0.021 25260 3325 1 41 . 1 1 3 3 VAL N N 3 125.510 125.510 120.694 4.816 25260 3326 1 41 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.850 -0.165 25260 3327 1 41 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.250 0.077 25260 3328 1 41 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.177 0.887 25260 3329 1 41 . 1 1 3 3 VAL H H 3 8.149 8.149 8.130 0.019 25260 3330 1 41 . 1 1 4 4 GLU N N 4 125.884 125.884 119.912 5.972 25260 3331 1 41 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.025 0.250 25260 3332 1 41 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.434 -2.120 25260 3333 1 41 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.328 -1.339 25260 3334 1 41 . 1 1 4 4 GLU H H 4 8.161 8.161 7.854 0.307 25260 3335 1 41 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.121 -0.021 25260 3336 1 41 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.718 0.127 25260 3337 1 41 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.846 0.479 25260 3338 1 41 . 1 1 5 5 GLN H H 5 8.299 8.299 7.915 0.384 25260 3339 1 41 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.645 0.301 25260 3340 1 41 . 1 1 6 6 CYS H H 6 8.337 8.337 7.577 0.760 25260 3341 1 41 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.312 0.557 25260 3342 1 41 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.872 -4.636 25260 3343 1 41 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.160 11.834 25260 3344 1 41 . 1 1 7 7 CYS H H 7 8.297 8.297 8.326 -0.029 25260 3345 1 41 . 1 1 8 8 THR N N 8 122.151 122.151 113.185 8.966 25260 3346 1 41 . 1 1 8 8 THR HA H 8 4.087 4.087 4.281 -0.194 25260 3347 1 41 . 1 1 8 8 THR CA C 8 64.845 64.845 63.717 1.128 25260 3348 1 41 . 1 1 8 8 THR CB C 8 68.652 68.652 68.970 -0.318 25260 3349 1 41 . 1 1 8 8 THR H H 8 8.270 8.270 8.405 -0.135 25260 3350 1 41 . 1 1 9 9 SER HA H 9 4.801 4.801 4.663 0.138 25260 3351 1 41 . 1 1 9 9 SER CA C 9 56.219 56.219 56.724 -0.505 25260 3352 1 41 . 1 1 9 9 SER CB C 9 64.263 64.263 65.584 -1.321 25260 3353 1 41 . 1 1 9 9 SER H H 9 7.471 7.471 7.515 -0.044 25260 3354 1 41 . 1 1 10 10 ILE N N 10 119.738 119.738 121.307 -1.569 25260 3355 1 41 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.207 0.171 25260 3356 1 41 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.016 0.066 25260 3357 1 41 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.752 2.490 25260 3358 1 41 . 1 1 10 10 ILE H H 10 7.857 7.857 8.266 -0.409 25260 3359 1 41 . 1 1 11 11 CYS H H 11 9.732 9.732 8.832 0.900 25260 3360 1 41 . 1 1 12 12 SER N N 12 119.584 119.584 121.487 -1.903 25260 3361 1 41 . 1 1 12 12 SER HA H 12 4.616 4.616 4.616 -0.000 25260 3362 1 41 . 1 1 12 12 SER CA C 12 56.713 56.713 57.457 -0.744 25260 3363 1 41 . 1 1 12 12 SER CB C 12 65.844 65.844 64.544 1.300 25260 3364 1 41 . 1 1 12 12 SER H H 12 8.788 8.788 8.546 0.242 25260 3365 1 41 . 1 1 13 13 LEU N N 13 123.958 123.958 117.728 6.230 25260 3366 1 41 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.071 -0.200 25260 3367 1 41 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.409 1.093 25260 3368 1 41 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.863 0.470 25260 3369 1 41 . 1 1 13 13 LEU H H 13 8.647 8.647 8.511 0.136 25260 3370 1 41 . 1 1 14 14 TYR N N 14 117.677 117.677 117.623 0.054 25260 3371 1 41 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.398 -0.222 25260 3372 1 41 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.641 -0.424 25260 3373 1 41 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.434 0.404 25260 3374 1 41 . 1 1 14 14 TYR H H 14 7.509 7.509 7.146 0.363 25260 3375 1 41 . 1 1 15 15 GLN N N 15 120.146 120.146 118.081 2.065 25260 3376 1 41 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.150 -0.145 25260 3377 1 41 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.995 0.679 25260 3378 1 41 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.346 0.850 25260 3379 1 41 . 1 1 15 15 GLN H H 15 7.576 7.576 7.662 -0.085 25260 3380 1 41 . 1 1 16 16 LEU N N 16 122.310 122.310 119.937 2.373 25260 3381 1 41 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.196 -0.005 25260 3382 1 41 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.834 0.479 25260 3383 1 41 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.712 0.482 25260 3384 1 41 . 1 1 16 16 LEU H H 16 8.116 8.116 8.449 -0.333 25260 3385 1 41 . 1 1 17 17 GLU N N 17 116.342 116.342 118.949 -2.607 25260 3386 1 41 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.081 0.129 25260 3387 1 41 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.138 -1.394 25260 3388 1 41 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.368 -1.620 25260 3389 1 41 . 1 1 17 17 GLU H H 17 8.099 8.099 8.468 -0.369 25260 3390 1 41 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.501 -0.000 25260 3391 1 41 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.621 -0.677 25260 3392 1 41 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.138 0.455 25260 3393 1 41 . 1 1 18 18 ASN H H 18 7.447 7.447 7.758 -0.311 25260 3394 1 41 . 1 1 19 19 TYR N N 19 118.955 118.955 119.262 -0.307 25260 3395 1 41 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.397 0.083 25260 3396 1 41 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.148 -0.938 25260 3397 1 41 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.630 -0.334 25260 3398 1 41 . 1 1 19 19 TYR H H 19 7.934 7.934 7.920 0.014 25260 3399 1 41 . 1 1 20 20 CYS N N 20 118.333 118.333 115.902 2.431 25260 3400 1 41 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.865 0.038 25260 3401 1 41 . 1 1 20 20 CYS CA C 20 53.902 53.902 56.432 -2.530 25260 3402 1 41 . 1 1 20 20 CYS CB C 20 36.186 36.186 26.773 9.414 25260 3403 1 41 . 1 1 20 20 CYS H H 20 7.457 7.457 7.880 -0.423 25260 3404 1 42 . 1 1 2 2 ILE N N 2 123.472 123.472 120.002 3.470 25260 3405 1 42 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.874 0.103 25260 3406 1 42 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.502 -4.425 25260 3407 1 42 . 1 1 2 2 ILE H H 2 8.536 8.536 8.283 0.253 25260 3408 1 42 . 1 1 3 3 VAL N N 3 125.510 125.510 119.780 5.730 25260 3409 1 42 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.909 -0.224 25260 3410 1 42 . 1 1 3 3 VAL CA C 3 65.327 65.327 64.749 0.578 25260 3411 1 42 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.828 0.236 25260 3412 1 42 . 1 1 3 3 VAL H H 3 8.149 8.149 7.933 0.216 25260 3413 1 42 . 1 1 4 4 GLU N N 4 125.884 125.884 119.378 6.506 25260 3414 1 42 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.960 0.315 25260 3415 1 42 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.358 -2.044 25260 3416 1 42 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.328 -1.339 25260 3417 1 42 . 1 1 4 4 GLU H H 4 8.161 8.161 7.671 0.490 25260 3418 1 42 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.105 -0.005 25260 3419 1 42 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.973 -0.128 25260 3420 1 42 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.720 0.605 25260 3421 1 42 . 1 1 5 5 GLN H H 5 8.299 8.299 7.795 0.504 25260 3422 1 42 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.570 0.376 25260 3423 1 42 . 1 1 6 6 CYS H H 6 8.337 8.337 8.692 -0.355 25260 3424 1 42 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.421 0.448 25260 3425 1 42 . 1 1 7 7 CYS CA C 7 57.236 57.236 60.953 -3.717 25260 3426 1 42 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.032 11.962 25260 3427 1 42 . 1 1 7 7 CYS H H 7 8.297 8.297 7.885 0.412 25260 3428 1 42 . 1 1 8 8 THR N N 8 122.151 122.151 114.017 8.134 25260 3429 1 42 . 1 1 8 8 THR HA H 8 4.087 4.087 4.339 -0.252 25260 3430 1 42 . 1 1 8 8 THR CA C 8 64.845 64.845 63.957 0.888 25260 3431 1 42 . 1 1 8 8 THR CB C 8 68.652 68.652 69.813 -1.161 25260 3432 1 42 . 1 1 8 8 THR H H 8 8.270 8.270 8.160 0.110 25260 3433 1 42 . 1 1 9 9 SER HA H 9 4.801 4.801 4.748 0.053 25260 3434 1 42 . 1 1 9 9 SER CA C 9 56.219 56.219 55.953 0.266 25260 3435 1 42 . 1 1 9 9 SER CB C 9 64.263 64.263 64.775 -0.512 25260 3436 1 42 . 1 1 9 9 SER H H 9 7.471 7.471 7.929 -0.458 25260 3437 1 42 . 1 1 10 10 ILE N N 10 119.738 119.738 122.468 -2.730 25260 3438 1 42 . 1 1 10 10 ILE HA H 10 4.378 4.378 3.999 0.379 25260 3439 1 42 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.939 -1.857 25260 3440 1 42 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.501 1.740 25260 3441 1 42 . 1 1 10 10 ILE H H 10 7.857 7.857 8.508 -0.651 25260 3442 1 42 . 1 1 11 11 CYS H H 11 9.732 9.732 8.361 1.371 25260 3443 1 42 . 1 1 12 12 SER N N 12 119.584 119.584 118.395 1.189 25260 3444 1 42 . 1 1 12 12 SER HA H 12 4.616 4.616 4.461 0.155 25260 3445 1 42 . 1 1 12 12 SER CA C 12 56.713 56.713 57.823 -1.110 25260 3446 1 42 . 1 1 12 12 SER CB C 12 65.844 65.844 64.681 1.163 25260 3447 1 42 . 1 1 12 12 SER H H 12 8.788 8.788 7.978 0.810 25260 3448 1 42 . 1 1 13 13 LEU N N 13 123.958 123.958 117.390 6.568 25260 3449 1 42 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.009 -0.138 25260 3450 1 42 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.460 1.042 25260 3451 1 42 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.945 0.388 25260 3452 1 42 . 1 1 13 13 LEU H H 13 8.647 8.647 8.513 0.134 25260 3453 1 42 . 1 1 14 14 TYR N N 14 117.677 117.677 115.418 2.259 25260 3454 1 42 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.331 -0.155 25260 3455 1 42 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.631 -0.414 25260 3456 1 42 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.586 0.252 25260 3457 1 42 . 1 1 14 14 TYR H H 14 7.509 7.509 7.343 0.166 25260 3458 1 42 . 1 1 15 15 GLN N N 15 120.146 120.146 117.574 2.572 25260 3459 1 42 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.218 -0.213 25260 3460 1 42 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.304 0.370 25260 3461 1 42 . 1 1 15 15 GLN CB C 15 29.196 29.196 29.104 0.092 25260 3462 1 42 . 1 1 15 15 GLN H H 15 7.576 7.576 7.762 -0.186 25260 3463 1 42 . 1 1 16 16 LEU N N 16 122.310 122.310 121.053 1.257 25260 3464 1 42 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.208 -0.017 25260 3465 1 42 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.873 0.440 25260 3466 1 42 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.647 0.547 25260 3467 1 42 . 1 1 16 16 LEU H H 16 8.116 8.116 8.504 -0.388 25260 3468 1 42 . 1 1 17 17 GLU N N 17 116.342 116.342 119.297 -2.955 25260 3469 1 42 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.060 0.150 25260 3470 1 42 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.140 -1.396 25260 3471 1 42 . 1 1 17 17 GLU CB C 17 27.748 27.748 28.986 -1.238 25260 3472 1 42 . 1 1 17 17 GLU H H 17 8.099 8.099 8.080 0.019 25260 3473 1 42 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.547 -0.046 25260 3474 1 42 . 1 1 18 18 ASN CA C 18 54.944 54.944 54.927 0.017 25260 3475 1 42 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.316 0.277 25260 3476 1 42 . 1 1 18 18 ASN H H 18 7.447 7.447 8.015 -0.568 25260 3477 1 42 . 1 1 19 19 TYR N N 19 118.955 118.955 116.264 2.691 25260 3478 1 42 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.470 0.010 25260 3479 1 42 . 1 1 19 19 TYR CA C 19 59.210 59.210 58.693 0.517 25260 3480 1 42 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.159 0.138 25260 3481 1 42 . 1 1 19 19 TYR H H 19 7.934 7.934 7.806 0.128 25260 3482 1 42 . 1 1 20 20 CYS N N 20 118.333 118.333 120.661 -2.328 25260 3483 1 42 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.456 0.447 25260 3484 1 42 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.361 -5.458 25260 3485 1 42 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.395 8.791 25260 3486 1 42 . 1 1 20 20 CYS H H 20 7.457 7.457 7.671 -0.214 25260 3487 1 43 . 1 1 2 2 ILE N N 2 123.472 123.472 120.792 2.680 25260 3488 1 43 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.941 0.036 25260 3489 1 43 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.361 -4.285 25260 3490 1 43 . 1 1 2 2 ILE H H 2 8.536 8.536 8.528 0.008 25260 3491 1 43 . 1 1 3 3 VAL N N 3 125.510 125.510 119.902 5.608 25260 3492 1 43 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.938 -0.253 25260 3493 1 43 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.922 -0.595 25260 3494 1 43 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.423 0.641 25260 3495 1 43 . 1 1 3 3 VAL H H 3 8.149 8.149 7.807 0.342 25260 3496 1 43 . 1 1 4 4 GLU N N 4 125.884 125.884 119.272 6.612 25260 3497 1 43 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.010 0.265 25260 3498 1 43 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.838 -2.524 25260 3499 1 43 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.299 -1.310 25260 3500 1 43 . 1 1 4 4 GLU H H 4 8.161 8.161 8.544 -0.384 25260 3501 1 43 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.080 0.020 25260 3502 1 43 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.320 -0.475 25260 3503 1 43 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.839 0.486 25260 3504 1 43 . 1 1 5 5 GLN H H 5 8.299 8.299 8.117 0.182 25260 3505 1 43 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.578 0.368 25260 3506 1 43 . 1 1 6 6 CYS H H 6 8.337 8.337 7.939 0.398 25260 3507 1 43 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.417 0.452 25260 3508 1 43 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.063 -3.828 25260 3509 1 43 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.031 11.963 25260 3510 1 43 . 1 1 7 7 CYS H H 7 8.297 8.297 8.012 0.284 25260 3511 1 43 . 1 1 8 8 THR N N 8 122.151 122.151 114.023 8.128 25260 3512 1 43 . 1 1 8 8 THR HA H 8 4.087 4.087 4.382 -0.295 25260 3513 1 43 . 1 1 8 8 THR CA C 8 64.845 64.845 64.101 0.744 25260 3514 1 43 . 1 1 8 8 THR CB C 8 68.652 68.652 69.555 -0.903 25260 3515 1 43 . 1 1 8 8 THR H H 8 8.270 8.270 8.383 -0.113 25260 3516 1 43 . 1 1 9 9 SER HA H 9 4.801 4.801 4.770 0.031 25260 3517 1 43 . 1 1 9 9 SER CA C 9 56.219 56.219 56.744 -0.525 25260 3518 1 43 . 1 1 9 9 SER CB C 9 64.263 64.263 65.304 -1.041 25260 3519 1 43 . 1 1 9 9 SER H H 9 7.471 7.471 7.881 -0.410 25260 3520 1 43 . 1 1 10 10 ILE N N 10 119.738 119.738 122.556 -2.818 25260 3521 1 43 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.001 0.377 25260 3522 1 43 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.606 -1.524 25260 3523 1 43 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.661 1.580 25260 3524 1 43 . 1 1 10 10 ILE H H 10 7.857 7.857 8.554 -0.697 25260 3525 1 43 . 1 1 11 11 CYS H H 11 9.732 9.732 8.285 1.447 25260 3526 1 43 . 1 1 12 12 SER N N 12 119.584 119.584 118.120 1.464 25260 3527 1 43 . 1 1 12 12 SER HA H 12 4.616 4.616 4.429 0.187 25260 3528 1 43 . 1 1 12 12 SER CA C 12 56.713 56.713 57.856 -1.143 25260 3529 1 43 . 1 1 12 12 SER CB C 12 65.844 65.844 64.176 1.668 25260 3530 1 43 . 1 1 12 12 SER H H 12 8.788 8.788 8.195 0.593 25260 3531 1 43 . 1 1 13 13 LEU N N 13 123.958 123.958 119.159 4.799 25260 3532 1 43 . 1 1 13 13 LEU HA H 13 3.871 3.871 3.997 -0.126 25260 3533 1 43 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.713 0.789 25260 3534 1 43 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.675 0.658 25260 3535 1 43 . 1 1 13 13 LEU H H 13 8.647 8.647 8.584 0.063 25260 3536 1 43 . 1 1 14 14 TYR N N 14 117.677 117.677 116.956 0.721 25260 3537 1 43 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.641 -0.465 25260 3538 1 43 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.177 0.040 25260 3539 1 43 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.388 0.450 25260 3540 1 43 . 1 1 14 14 TYR H H 14 7.509 7.509 7.501 0.008 25260 3541 1 43 . 1 1 15 15 GLN N N 15 120.146 120.146 117.830 2.316 25260 3542 1 43 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.175 -0.170 25260 3543 1 43 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.359 0.315 25260 3544 1 43 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.643 0.553 25260 3545 1 43 . 1 1 15 15 GLN H H 15 7.576 7.576 7.657 -0.081 25260 3546 1 43 . 1 1 16 16 LEU N N 16 122.310 122.310 120.674 1.636 25260 3547 1 43 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.285 -0.094 25260 3548 1 43 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.735 0.578 25260 3549 1 43 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.641 0.553 25260 3550 1 43 . 1 1 16 16 LEU H H 16 8.116 8.116 8.367 -0.251 25260 3551 1 43 . 1 1 17 17 GLU N N 17 116.342 116.342 119.669 -3.327 25260 3552 1 43 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.032 0.178 25260 3553 1 43 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.364 -1.620 25260 3554 1 43 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.153 -1.405 25260 3555 1 43 . 1 1 17 17 GLU H H 17 8.099 8.099 8.312 -0.213 25260 3556 1 43 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.677 -0.176 25260 3557 1 43 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.910 -0.966 25260 3558 1 43 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.443 0.150 25260 3559 1 43 . 1 1 18 18 ASN H H 18 7.447 7.447 7.883 -0.436 25260 3560 1 43 . 1 1 19 19 TYR N N 19 118.955 118.955 120.093 -1.138 25260 3561 1 43 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.359 0.121 25260 3562 1 43 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.932 -1.722 25260 3563 1 43 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.502 -0.205 25260 3564 1 43 . 1 1 19 19 TYR H H 19 7.934 7.934 8.259 -0.325 25260 3565 1 43 . 1 1 20 20 CYS N N 20 118.333 118.333 114.143 4.190 25260 3566 1 43 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.876 0.027 25260 3567 1 43 . 1 1 20 20 CYS CA C 20 53.902 53.902 56.855 -2.953 25260 3568 1 43 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.770 8.416 25260 3569 1 43 . 1 1 20 20 CYS H H 20 7.457 7.457 8.098 -0.641 25260 3570 1 44 . 1 1 2 2 ILE N N 2 123.472 123.472 121.213 2.259 25260 3571 1 44 . 1 1 2 2 ILE HA H 2 3.977 3.977 4.507 -0.530 25260 3572 1 44 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.623 -4.545 25260 3573 1 44 . 1 1 2 2 ILE H H 2 8.536 8.536 8.435 0.101 25260 3574 1 44 . 1 1 3 3 VAL N N 3 125.510 125.510 121.535 3.975 25260 3575 1 44 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.991 -0.306 25260 3576 1 44 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.981 -0.654 25260 3577 1 44 . 1 1 3 3 VAL CB C 3 32.064 32.064 30.738 1.326 25260 3578 1 44 . 1 1 3 3 VAL H H 3 8.149 8.149 8.010 0.139 25260 3579 1 44 . 1 1 4 4 GLU N N 4 125.884 125.884 118.351 7.533 25260 3580 1 44 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.056 0.219 25260 3581 1 44 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.512 -2.198 25260 3582 1 44 . 1 1 4 4 GLU CB C 4 27.989 27.989 28.239 -0.251 25260 3583 1 44 . 1 1 4 4 GLU H H 4 8.161 8.161 9.063 -0.902 25260 3584 1 44 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.155 -0.055 25260 3585 1 44 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.400 0.445 25260 3586 1 44 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.815 0.510 25260 3587 1 44 . 1 1 5 5 GLN H H 5 8.299 8.299 7.803 0.496 25260 3588 1 44 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.501 0.445 25260 3589 1 44 . 1 1 6 6 CYS H H 6 8.337 8.337 7.776 0.561 25260 3590 1 44 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.347 0.522 25260 3591 1 44 . 1 1 7 7 CYS CA C 7 57.236 57.236 60.703 -3.467 25260 3592 1 44 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.539 11.455 25260 3593 1 44 . 1 1 7 7 CYS H H 7 8.297 8.297 7.570 0.727 25260 3594 1 44 . 1 1 8 8 THR N N 8 122.151 122.151 114.414 7.737 25260 3595 1 44 . 1 1 8 8 THR HA H 8 4.087 4.087 4.183 -0.096 25260 3596 1 44 . 1 1 8 8 THR CA C 8 64.845 64.845 64.086 0.759 25260 3597 1 44 . 1 1 8 8 THR CB C 8 68.652 68.652 68.843 -0.191 25260 3598 1 44 . 1 1 8 8 THR H H 8 8.270 8.270 8.465 -0.195 25260 3599 1 44 . 1 1 9 9 SER HA H 9 4.801 4.801 4.607 0.194 25260 3600 1 44 . 1 1 9 9 SER CA C 9 56.219 56.219 56.791 -0.572 25260 3601 1 44 . 1 1 9 9 SER CB C 9 64.263 64.263 65.618 -1.355 25260 3602 1 44 . 1 1 9 9 SER H H 9 7.471 7.471 7.459 0.012 25260 3603 1 44 . 1 1 10 10 ILE N N 10 119.738 119.738 121.452 -1.714 25260 3604 1 44 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.236 0.142 25260 3605 1 44 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.777 -0.695 25260 3606 1 44 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.544 1.697 25260 3607 1 44 . 1 1 10 10 ILE H H 10 7.857 7.857 8.226 -0.369 25260 3608 1 44 . 1 1 11 11 CYS H H 11 9.732 9.732 8.504 1.228 25260 3609 1 44 . 1 1 12 12 SER N N 12 119.584 119.584 117.755 1.829 25260 3610 1 44 . 1 1 12 12 SER HA H 12 4.616 4.616 4.655 -0.039 25260 3611 1 44 . 1 1 12 12 SER CA C 12 56.713 56.713 57.021 -0.308 25260 3612 1 44 . 1 1 12 12 SER CB C 12 65.844 65.844 64.858 0.986 25260 3613 1 44 . 1 1 12 12 SER H H 12 8.788 8.788 8.376 0.412 25260 3614 1 44 . 1 1 13 13 LEU N N 13 123.958 123.958 117.688 6.270 25260 3615 1 44 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.078 -0.207 25260 3616 1 44 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.122 1.380 25260 3617 1 44 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.889 0.444 25260 3618 1 44 . 1 1 13 13 LEU H H 13 8.647 8.647 8.415 0.232 25260 3619 1 44 . 1 1 14 14 TYR N N 14 117.677 117.677 117.313 0.364 25260 3620 1 44 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.340 -0.164 25260 3621 1 44 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.349 -0.132 25260 3622 1 44 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.469 0.369 25260 3623 1 44 . 1 1 14 14 TYR H H 14 7.509 7.509 7.002 0.507 25260 3624 1 44 . 1 1 15 15 GLN N N 15 120.146 120.146 117.570 2.576 25260 3625 1 44 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.227 -0.222 25260 3626 1 44 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.647 1.027 25260 3627 1 44 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.404 0.792 25260 3628 1 44 . 1 1 15 15 GLN H H 15 7.576 7.576 7.606 -0.030 25260 3629 1 44 . 1 1 16 16 LEU N N 16 122.310 122.310 121.313 0.997 25260 3630 1 44 . 1 1 16 16 LEU HA H 16 4.191 4.191 3.861 0.330 25260 3631 1 44 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.837 0.476 25260 3632 1 44 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.584 0.610 25260 3633 1 44 . 1 1 16 16 LEU H H 16 8.116 8.116 8.427 -0.311 25260 3634 1 44 . 1 1 17 17 GLU N N 17 116.342 116.342 119.378 -3.036 25260 3635 1 44 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.052 0.158 25260 3636 1 44 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.314 -1.570 25260 3637 1 44 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.177 -1.429 25260 3638 1 44 . 1 1 17 17 GLU H H 17 8.099 8.099 8.144 -0.045 25260 3639 1 44 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.568 -0.067 25260 3640 1 44 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.336 -0.392 25260 3641 1 44 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.571 0.022 25260 3642 1 44 . 1 1 18 18 ASN H H 18 7.447 7.447 7.873 -0.426 25260 3643 1 44 . 1 1 19 19 TYR N N 19 118.955 118.955 117.082 1.873 25260 3644 1 44 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.441 0.039 25260 3645 1 44 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.247 -0.037 25260 3646 1 44 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.612 -0.315 25260 3647 1 44 . 1 1 19 19 TYR H H 19 7.934 7.934 8.063 -0.129 25260 3648 1 44 . 1 1 20 20 CYS N N 20 118.333 118.333 116.367 1.966 25260 3649 1 44 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.976 -0.073 25260 3650 1 44 . 1 1 20 20 CYS CA C 20 53.902 53.902 55.787 -1.885 25260 3651 1 44 . 1 1 20 20 CYS CB C 20 36.186 36.186 30.992 5.194 25260 3652 1 44 . 1 1 20 20 CYS H H 20 7.457 7.457 7.665 -0.208 25260 3653 1 45 . 1 1 2 2 ILE N N 2 123.472 123.472 120.873 2.599 25260 3654 1 45 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.852 0.125 25260 3655 1 45 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.354 -4.277 25260 3656 1 45 . 1 1 2 2 ILE H H 2 8.536 8.536 8.307 0.229 25260 3657 1 45 . 1 1 3 3 VAL N N 3 125.510 125.510 121.662 3.848 25260 3658 1 45 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.113 -0.428 25260 3659 1 45 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.225 0.102 25260 3660 1 45 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.518 0.546 25260 3661 1 45 . 1 1 3 3 VAL H H 3 8.149 8.149 7.975 0.174 25260 3662 1 45 . 1 1 4 4 GLU N N 4 125.884 125.884 119.344 6.540 25260 3663 1 45 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.012 0.263 25260 3664 1 45 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.962 -2.647 25260 3665 1 45 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.199 -1.210 25260 3666 1 45 . 1 1 4 4 GLU H H 4 8.161 8.161 8.491 -0.330 25260 3667 1 45 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.106 -0.006 25260 3668 1 45 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.977 -0.132 25260 3669 1 45 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.717 0.608 25260 3670 1 45 . 1 1 5 5 GLN H H 5 8.299 8.299 7.834 0.465 25260 3671 1 45 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.385 0.561 25260 3672 1 45 . 1 1 6 6 CYS H H 6 8.337 8.337 7.810 0.527 25260 3673 1 45 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.316 0.553 25260 3674 1 45 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.043 -3.807 25260 3675 1 45 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.180 11.814 25260 3676 1 45 . 1 1 7 7 CYS H H 7 8.297 8.297 8.234 0.063 25260 3677 1 45 . 1 1 8 8 THR N N 8 122.151 122.151 112.677 9.474 25260 3678 1 45 . 1 1 8 8 THR HA H 8 4.087 4.087 4.228 -0.141 25260 3679 1 45 . 1 1 8 8 THR CA C 8 64.845 64.845 64.222 0.623 25260 3680 1 45 . 1 1 8 8 THR CB C 8 68.652 68.652 69.067 -0.415 25260 3681 1 45 . 1 1 8 8 THR H H 8 8.270 8.270 8.216 0.054 25260 3682 1 45 . 1 1 9 9 SER HA H 9 4.801 4.801 4.657 0.144 25260 3683 1 45 . 1 1 9 9 SER CA C 9 56.219 56.219 56.744 -0.525 25260 3684 1 45 . 1 1 9 9 SER CB C 9 64.263 64.263 64.973 -0.710 25260 3685 1 45 . 1 1 9 9 SER H H 9 7.471 7.471 7.536 -0.065 25260 3686 1 45 . 1 1 10 10 ILE N N 10 119.738 119.738 121.880 -2.142 25260 3687 1 45 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.243 0.135 25260 3688 1 45 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.676 -0.594 25260 3689 1 45 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.436 1.805 25260 3690 1 45 . 1 1 10 10 ILE H H 10 7.857 7.857 8.305 -0.448 25260 3691 1 45 . 1 1 11 11 CYS H H 11 9.732 9.732 8.391 1.341 25260 3692 1 45 . 1 1 12 12 SER N N 12 119.584 119.584 118.113 1.471 25260 3693 1 45 . 1 1 12 12 SER HA H 12 4.616 4.616 4.650 -0.034 25260 3694 1 45 . 1 1 12 12 SER CA C 12 56.713 56.713 57.077 -0.364 25260 3695 1 45 . 1 1 12 12 SER CB C 12 65.844 65.844 64.525 1.319 25260 3696 1 45 . 1 1 12 12 SER H H 12 8.788 8.788 8.389 0.399 25260 3697 1 45 . 1 1 13 13 LEU N N 13 123.958 123.958 117.509 6.449 25260 3698 1 45 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.078 -0.207 25260 3699 1 45 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.387 1.115 25260 3700 1 45 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.899 0.434 25260 3701 1 45 . 1 1 13 13 LEU H H 13 8.647 8.647 8.432 0.215 25260 3702 1 45 . 1 1 14 14 TYR N N 14 117.677 117.677 117.197 0.480 25260 3703 1 45 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.654 -0.478 25260 3704 1 45 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.075 0.142 25260 3705 1 45 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.403 0.435 25260 3706 1 45 . 1 1 14 14 TYR H H 14 7.509 7.509 7.047 0.462 25260 3707 1 45 . 1 1 15 15 GLN N N 15 120.146 120.146 117.777 2.369 25260 3708 1 45 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.163 -0.158 25260 3709 1 45 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.178 0.496 25260 3710 1 45 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.516 0.680 25260 3711 1 45 . 1 1 15 15 GLN H H 15 7.576 7.576 7.612 -0.036 25260 3712 1 45 . 1 1 16 16 LEU N N 16 122.310 122.310 121.079 1.231 25260 3713 1 45 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.287 -0.096 25260 3714 1 45 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.842 0.471 25260 3715 1 45 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.759 0.435 25260 3716 1 45 . 1 1 16 16 LEU H H 16 8.116 8.116 8.431 -0.315 25260 3717 1 45 . 1 1 17 17 GLU N N 17 116.342 116.342 119.036 -2.694 25260 3718 1 45 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.076 0.134 25260 3719 1 45 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.104 -1.360 25260 3720 1 45 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.160 -1.412 25260 3721 1 45 . 1 1 17 17 GLU H H 17 8.099 8.099 8.176 -0.077 25260 3722 1 45 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.502 -0.001 25260 3723 1 45 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.849 -0.905 25260 3724 1 45 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.430 0.163 25260 3725 1 45 . 1 1 18 18 ASN H H 18 7.447 7.447 7.827 -0.380 25260 3726 1 45 . 1 1 19 19 TYR N N 19 118.955 118.955 118.476 0.479 25260 3727 1 45 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.381 0.099 25260 3728 1 45 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.807 -1.597 25260 3729 1 45 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.700 -0.403 25260 3730 1 45 . 1 1 19 19 TYR H H 19 7.934 7.934 7.961 -0.027 25260 3731 1 45 . 1 1 20 20 CYS N N 20 118.333 118.333 118.977 -0.644 25260 3732 1 45 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.593 0.310 25260 3733 1 45 . 1 1 20 20 CYS CA C 20 53.902 53.902 57.341 -3.439 25260 3734 1 45 . 1 1 20 20 CYS CB C 20 36.186 36.186 24.865 11.321 25260 3735 1 45 . 1 1 20 20 CYS H H 20 7.457 7.457 7.943 -0.486 25260 3736 1 46 . 1 1 2 2 ILE N N 2 123.472 123.472 121.229 2.243 25260 3737 1 46 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.819 0.158 25260 3738 1 46 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.435 -4.358 25260 3739 1 46 . 1 1 2 2 ILE H H 2 8.536 8.536 8.451 0.085 25260 3740 1 46 . 1 1 3 3 VAL N N 3 125.510 125.510 119.663 5.847 25260 3741 1 46 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.975 -0.290 25260 3742 1 46 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.611 -0.284 25260 3743 1 46 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.704 0.360 25260 3744 1 46 . 1 1 3 3 VAL H H 3 8.149 8.149 8.164 -0.015 25260 3745 1 46 . 1 1 4 4 GLU N N 4 125.884 125.884 119.638 6.246 25260 3746 1 46 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.013 0.262 25260 3747 1 46 . 1 1 4 4 GLU CA C 4 57.314 57.314 60.065 -2.751 25260 3748 1 46 . 1 1 4 4 GLU CB C 4 27.989 27.989 28.998 -1.009 25260 3749 1 46 . 1 1 4 4 GLU H H 4 8.161 8.161 7.962 0.199 25260 3750 1 46 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.089 0.011 25260 3751 1 46 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.196 -0.351 25260 3752 1 46 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.388 0.937 25260 3753 1 46 . 1 1 5 5 GLN H H 5 8.299 8.299 8.085 0.214 25260 3754 1 46 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.538 0.408 25260 3755 1 46 . 1 1 6 6 CYS H H 6 8.337 8.337 8.011 0.326 25260 3756 1 46 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.315 0.554 25260 3757 1 46 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.907 -4.671 25260 3758 1 46 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.123 11.871 25260 3759 1 46 . 1 1 7 7 CYS H H 7 8.297 8.297 8.397 -0.100 25260 3760 1 46 . 1 1 8 8 THR N N 8 122.151 122.151 114.227 7.924 25260 3761 1 46 . 1 1 8 8 THR HA H 8 4.087 4.087 4.412 -0.325 25260 3762 1 46 . 1 1 8 8 THR CA C 8 64.845 64.845 63.561 1.284 25260 3763 1 46 . 1 1 8 8 THR CB C 8 68.652 68.652 69.061 -0.409 25260 3764 1 46 . 1 1 8 8 THR H H 8 8.270 8.270 8.434 -0.164 25260 3765 1 46 . 1 1 9 9 SER HA H 9 4.801 4.801 4.668 0.133 25260 3766 1 46 . 1 1 9 9 SER CA C 9 56.219 56.219 57.158 -0.939 25260 3767 1 46 . 1 1 9 9 SER CB C 9 64.263 64.263 65.193 -0.930 25260 3768 1 46 . 1 1 9 9 SER H H 9 7.471 7.471 7.857 -0.386 25260 3769 1 46 . 1 1 10 10 ILE N N 10 119.738 119.738 121.299 -1.561 25260 3770 1 46 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.263 0.115 25260 3771 1 46 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.058 0.024 25260 3772 1 46 . 1 1 10 10 ILE CB C 10 39.241 39.241 36.148 3.093 25260 3773 1 46 . 1 1 10 10 ILE H H 10 7.857 7.857 8.234 -0.377 25260 3774 1 46 . 1 1 11 11 CYS H H 11 9.732 9.732 8.699 1.033 25260 3775 1 46 . 1 1 12 12 SER N N 12 119.584 119.584 120.953 -1.369 25260 3776 1 46 . 1 1 12 12 SER HA H 12 4.616 4.616 4.639 -0.023 25260 3777 1 46 . 1 1 12 12 SER CA C 12 56.713 56.713 57.184 -0.471 25260 3778 1 46 . 1 1 12 12 SER CB C 12 65.844 65.844 64.758 1.086 25260 3779 1 46 . 1 1 12 12 SER H H 12 8.788 8.788 8.536 0.252 25260 3780 1 46 . 1 1 13 13 LEU N N 13 123.958 123.958 117.903 6.055 25260 3781 1 46 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.055 -0.184 25260 3782 1 46 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.450 1.052 25260 3783 1 46 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.902 0.431 25260 3784 1 46 . 1 1 13 13 LEU H H 13 8.647 8.647 8.465 0.182 25260 3785 1 46 . 1 1 14 14 TYR N N 14 117.677 117.677 116.738 0.939 25260 3786 1 46 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.660 -0.484 25260 3787 1 46 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.270 -0.053 25260 3788 1 46 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.499 0.339 25260 3789 1 46 . 1 1 14 14 TYR H H 14 7.509 7.509 7.157 0.352 25260 3790 1 46 . 1 1 15 15 GLN N N 15 120.146 120.146 117.906 2.240 25260 3791 1 46 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.145 -0.140 25260 3792 1 46 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.653 0.021 25260 3793 1 46 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.913 0.283 25260 3794 1 46 . 1 1 15 15 GLN H H 15 7.576 7.576 7.604 -0.028 25260 3795 1 46 . 1 1 16 16 LEU N N 16 122.310 122.310 120.800 1.510 25260 3796 1 46 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.323 -0.132 25260 3797 1 46 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.852 0.461 25260 3798 1 46 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.761 0.433 25260 3799 1 46 . 1 1 16 16 LEU H H 16 8.116 8.116 8.187 -0.071 25260 3800 1 46 . 1 1 17 17 GLU N N 17 116.342 116.342 119.328 -2.986 25260 3801 1 46 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.028 0.182 25260 3802 1 46 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.340 -1.596 25260 3803 1 46 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.063 -1.315 25260 3804 1 46 . 1 1 17 17 GLU H H 17 8.099 8.099 8.256 -0.157 25260 3805 1 46 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.569 -0.068 25260 3806 1 46 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.577 -0.633 25260 3807 1 46 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.533 0.060 25260 3808 1 46 . 1 1 18 18 ASN H H 18 7.447 7.447 7.891 -0.444 25260 3809 1 46 . 1 1 19 19 TYR N N 19 118.955 118.955 116.638 2.317 25260 3810 1 46 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.483 -0.003 25260 3811 1 46 . 1 1 19 19 TYR CA C 19 59.210 59.210 58.648 0.562 25260 3812 1 46 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.171 0.126 25260 3813 1 46 . 1 1 19 19 TYR H H 19 7.934 7.934 7.856 0.078 25260 3814 1 46 . 1 1 20 20 CYS N N 20 118.333 118.333 119.783 -1.450 25260 3815 1 46 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.452 0.451 25260 3816 1 46 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.229 -5.327 25260 3817 1 46 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.461 8.725 25260 3818 1 46 . 1 1 20 20 CYS H H 20 7.457 7.457 7.725 -0.268 25260 3819 1 47 . 1 1 2 2 ILE N N 2 123.472 123.472 121.421 2.051 25260 3820 1 47 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.856 0.121 25260 3821 1 47 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.505 -4.428 25260 3822 1 47 . 1 1 2 2 ILE H H 2 8.536 8.536 8.648 -0.112 25260 3823 1 47 . 1 1 3 3 VAL N N 3 125.510 125.510 121.474 4.036 25260 3824 1 47 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.840 -0.155 25260 3825 1 47 . 1 1 3 3 VAL CA C 3 65.327 65.327 66.452 -1.125 25260 3826 1 47 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.302 0.762 25260 3827 1 47 . 1 1 3 3 VAL H H 3 8.149 8.149 8.051 0.098 25260 3828 1 47 . 1 1 4 4 GLU N N 4 125.884 125.884 120.014 5.870 25260 3829 1 47 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.960 0.315 25260 3830 1 47 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.817 -2.503 25260 3831 1 47 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.294 -1.305 25260 3832 1 47 . 1 1 4 4 GLU H H 4 8.161 8.161 8.480 -0.319 25260 3833 1 47 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.107 -0.007 25260 3834 1 47 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.236 -0.391 25260 3835 1 47 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.419 0.906 25260 3836 1 47 . 1 1 5 5 GLN H H 5 8.299 8.299 8.501 -0.202 25260 3837 1 47 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.586 0.360 25260 3838 1 47 . 1 1 6 6 CYS H H 6 8.337 8.337 7.678 0.659 25260 3839 1 47 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.251 0.618 25260 3840 1 47 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.538 -4.302 25260 3841 1 47 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.837 12.157 25260 3842 1 47 . 1 1 7 7 CYS H H 7 8.297 8.297 8.200 0.097 25260 3843 1 47 . 1 1 8 8 THR N N 8 122.151 122.151 112.651 9.500 25260 3844 1 47 . 1 1 8 8 THR HA H 8 4.087 4.087 4.284 -0.197 25260 3845 1 47 . 1 1 8 8 THR CA C 8 64.845 64.845 63.783 1.062 25260 3846 1 47 . 1 1 8 8 THR CB C 8 68.652 68.652 69.183 -0.531 25260 3847 1 47 . 1 1 8 8 THR H H 8 8.270 8.270 8.234 0.036 25260 3848 1 47 . 1 1 9 9 SER HA H 9 4.801 4.801 4.722 0.079 25260 3849 1 47 . 1 1 9 9 SER CA C 9 56.219 56.219 57.292 -1.073 25260 3850 1 47 . 1 1 9 9 SER CB C 9 64.263 64.263 65.708 -1.445 25260 3851 1 47 . 1 1 9 9 SER H H 9 7.471 7.471 7.868 -0.397 25260 3852 1 47 . 1 1 10 10 ILE N N 10 119.738 119.738 122.693 -2.955 25260 3853 1 47 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.005 0.373 25260 3854 1 47 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.782 -1.700 25260 3855 1 47 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.900 1.341 25260 3856 1 47 . 1 1 10 10 ILE H H 10 7.857 7.857 8.344 -0.487 25260 3857 1 47 . 1 1 11 11 CYS H H 11 9.732 9.732 8.678 1.054 25260 3858 1 47 . 1 1 12 12 SER N N 12 119.584 119.584 120.150 -0.566 25260 3859 1 47 . 1 1 12 12 SER HA H 12 4.616 4.616 4.624 -0.008 25260 3860 1 47 . 1 1 12 12 SER CA C 12 56.713 56.713 57.358 -0.645 25260 3861 1 47 . 1 1 12 12 SER CB C 12 65.844 65.844 64.547 1.296 25260 3862 1 47 . 1 1 12 12 SER H H 12 8.788 8.788 8.559 0.229 25260 3863 1 47 . 1 1 13 13 LEU N N 13 123.958 123.958 117.962 5.996 25260 3864 1 47 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.036 -0.165 25260 3865 1 47 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.453 1.049 25260 3866 1 47 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.923 0.410 25260 3867 1 47 . 1 1 13 13 LEU H H 13 8.647 8.647 8.483 0.164 25260 3868 1 47 . 1 1 14 14 TYR N N 14 117.677 117.677 116.785 0.892 25260 3869 1 47 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.684 -0.508 25260 3870 1 47 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.247 -0.030 25260 3871 1 47 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.548 0.290 25260 3872 1 47 . 1 1 14 14 TYR H H 14 7.509 7.509 7.117 0.392 25260 3873 1 47 . 1 1 15 15 GLN N N 15 120.146 120.146 117.656 2.490 25260 3874 1 47 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.215 -0.210 25260 3875 1 47 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.973 0.701 25260 3876 1 47 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.591 0.605 25260 3877 1 47 . 1 1 15 15 GLN H H 15 7.576 7.576 7.618 -0.042 25260 3878 1 47 . 1 1 16 16 LEU N N 16 122.310 122.310 120.865 1.445 25260 3879 1 47 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.147 0.044 25260 3880 1 47 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.864 0.449 25260 3881 1 47 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.537 0.657 25260 3882 1 47 . 1 1 16 16 LEU H H 16 8.116 8.116 8.582 -0.466 25260 3883 1 47 . 1 1 17 17 GLU N N 17 116.342 116.342 119.455 -3.113 25260 3884 1 47 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.040 0.170 25260 3885 1 47 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.377 -1.633 25260 3886 1 47 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.085 -1.337 25260 3887 1 47 . 1 1 17 17 GLU H H 17 8.099 8.099 8.137 -0.038 25260 3888 1 47 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.557 -0.056 25260 3889 1 47 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.697 -0.753 25260 3890 1 47 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.475 0.118 25260 3891 1 47 . 1 1 18 18 ASN H H 18 7.447 7.447 7.943 -0.496 25260 3892 1 47 . 1 1 19 19 TYR N N 19 118.955 118.955 115.988 2.967 25260 3893 1 47 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.523 -0.043 25260 3894 1 47 . 1 1 19 19 TYR CA C 19 59.210 59.210 58.453 0.757 25260 3895 1 47 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.417 -0.120 25260 3896 1 47 . 1 1 19 19 TYR H H 19 7.934 7.934 7.958 -0.024 25260 3897 1 47 . 1 1 20 20 CYS N N 20 118.333 118.333 120.619 -2.286 25260 3898 1 47 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.766 0.137 25260 3899 1 47 . 1 1 20 20 CYS CA C 20 53.902 53.902 57.758 -3.856 25260 3900 1 47 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.973 8.213 25260 3901 1 47 . 1 1 20 20 CYS H H 20 7.457 7.457 7.693 -0.236 25260 3902 1 48 . 1 1 2 2 ILE N N 2 123.472 123.472 120.877 2.595 25260 3903 1 48 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.884 0.093 25260 3904 1 48 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.413 -4.336 25260 3905 1 48 . 1 1 2 2 ILE H H 2 8.536 8.536 8.452 0.084 25260 3906 1 48 . 1 1 3 3 VAL N N 3 125.510 125.510 119.420 6.090 25260 3907 1 48 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.012 -0.327 25260 3908 1 48 . 1 1 3 3 VAL CA C 3 65.327 65.327 66.003 -0.676 25260 3909 1 48 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.121 0.943 25260 3910 1 48 . 1 1 3 3 VAL H H 3 8.149 8.149 8.083 0.066 25260 3911 1 48 . 1 1 4 4 GLU N N 4 125.884 125.884 119.090 6.794 25260 3912 1 48 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.034 0.241 25260 3913 1 48 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.892 -2.578 25260 3914 1 48 . 1 1 4 4 GLU CB C 4 27.989 27.989 28.912 -0.923 25260 3915 1 48 . 1 1 4 4 GLU H H 4 8.161 8.161 7.903 0.258 25260 3916 1 48 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.044 0.056 25260 3917 1 48 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.064 -0.219 25260 3918 1 48 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.891 0.434 25260 3919 1 48 . 1 1 5 5 GLN H H 5 8.299 8.299 7.892 0.407 25260 3920 1 48 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.545 0.401 25260 3921 1 48 . 1 1 6 6 CYS H H 6 8.337 8.337 8.025 0.312 25260 3922 1 48 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.354 0.515 25260 3923 1 48 . 1 1 7 7 CYS CA C 7 57.236 57.236 60.428 -3.192 25260 3924 1 48 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.110 11.884 25260 3925 1 48 . 1 1 7 7 CYS H H 7 8.297 8.297 8.034 0.263 25260 3926 1 48 . 1 1 8 8 THR N N 8 122.151 122.151 114.109 8.042 25260 3927 1 48 . 1 1 8 8 THR HA H 8 4.087 4.087 4.352 -0.265 25260 3928 1 48 . 1 1 8 8 THR CA C 8 64.845 64.845 63.550 1.295 25260 3929 1 48 . 1 1 8 8 THR CB C 8 68.652 68.652 69.302 -0.650 25260 3930 1 48 . 1 1 8 8 THR H H 8 8.270 8.270 8.483 -0.213 25260 3931 1 48 . 1 1 9 9 SER HA H 9 4.801 4.801 4.711 0.090 25260 3932 1 48 . 1 1 9 9 SER CA C 9 56.219 56.219 56.934 -0.715 25260 3933 1 48 . 1 1 9 9 SER CB C 9 64.263 64.263 65.547 -1.284 25260 3934 1 48 . 1 1 9 9 SER H H 9 7.471 7.471 7.598 -0.127 25260 3935 1 48 . 1 1 10 10 ILE N N 10 119.738 119.738 122.210 -2.472 25260 3936 1 48 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.085 0.293 25260 3937 1 48 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.248 -1.166 25260 3938 1 48 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.875 1.366 25260 3939 1 48 . 1 1 10 10 ILE H H 10 7.857 7.857 8.429 -0.572 25260 3940 1 48 . 1 1 11 11 CYS H H 11 9.732 9.732 8.244 1.488 25260 3941 1 48 . 1 1 12 12 SER N N 12 119.584 119.584 119.057 0.527 25260 3942 1 48 . 1 1 12 12 SER HA H 12 4.616 4.616 4.556 0.060 25260 3943 1 48 . 1 1 12 12 SER CA C 12 56.713 56.713 57.314 -0.601 25260 3944 1 48 . 1 1 12 12 SER CB C 12 65.844 65.844 64.798 1.046 25260 3945 1 48 . 1 1 12 12 SER H H 12 8.788 8.788 8.361 0.427 25260 3946 1 48 . 1 1 13 13 LEU N N 13 123.958 123.958 117.726 6.232 25260 3947 1 48 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.016 -0.145 25260 3948 1 48 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.440 1.062 25260 3949 1 48 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.905 0.428 25260 3950 1 48 . 1 1 13 13 LEU H H 13 8.647 8.647 8.485 0.162 25260 3951 1 48 . 1 1 14 14 TYR N N 14 117.677 117.677 116.683 0.994 25260 3952 1 48 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.164 0.012 25260 3953 1 48 . 1 1 14 14 TYR CA C 14 60.217 60.217 61.371 -1.154 25260 3954 1 48 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.539 0.299 25260 3955 1 48 . 1 1 14 14 TYR H H 14 7.509 7.509 7.295 0.214 25260 3956 1 48 . 1 1 15 15 GLN N N 15 120.146 120.146 118.190 1.956 25260 3957 1 48 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.176 -0.171 25260 3958 1 48 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.567 0.107 25260 3959 1 48 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.780 0.416 25260 3960 1 48 . 1 1 15 15 GLN H H 15 7.576 7.576 7.789 -0.213 25260 3961 1 48 . 1 1 16 16 LEU N N 16 122.310 122.310 120.595 1.715 25260 3962 1 48 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.331 -0.140 25260 3963 1 48 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.759 0.554 25260 3964 1 48 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.576 0.618 25260 3965 1 48 . 1 1 16 16 LEU H H 16 8.116 8.116 8.121 -0.005 25260 3966 1 48 . 1 1 17 17 GLU N N 17 116.342 116.342 119.143 -2.801 25260 3967 1 48 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.052 0.158 25260 3968 1 48 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.388 -1.643 25260 3969 1 48 . 1 1 17 17 GLU CB C 17 27.748 27.748 28.791 -1.044 25260 3970 1 48 . 1 1 17 17 GLU H H 17 8.099 8.099 8.127 -0.028 25260 3971 1 48 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.499 0.002 25260 3972 1 48 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.368 -0.424 25260 3973 1 48 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.305 0.288 25260 3974 1 48 . 1 1 18 18 ASN H H 18 7.447 7.447 7.825 -0.378 25260 3975 1 48 . 1 1 19 19 TYR N N 19 118.955 118.955 117.098 1.857 25260 3976 1 48 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.410 0.070 25260 3977 1 48 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.489 -0.279 25260 3978 1 48 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.418 -0.121 25260 3979 1 48 . 1 1 19 19 TYR H H 19 7.934 7.934 7.759 0.175 25260 3980 1 48 . 1 1 20 20 CYS N N 20 118.333 118.333 119.499 -1.166 25260 3981 1 48 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.544 0.359 25260 3982 1 48 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.736 -4.834 25260 3983 1 48 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.465 8.721 25260 3984 1 48 . 1 1 20 20 CYS H H 20 7.457 7.457 7.713 -0.256 25260 3985 1 49 . 1 1 2 2 ILE N N 2 123.472 123.472 120.018 3.454 25260 3986 1 49 . 1 1 2 2 ILE HA H 2 3.977 3.977 4.349 -0.372 25260 3987 1 49 . 1 1 2 2 ILE CB C 2 34.077 34.077 39.039 -4.962 25260 3988 1 49 . 1 1 2 2 ILE H H 2 8.536 8.536 8.083 0.453 25260 3989 1 49 . 1 1 3 3 VAL N N 3 125.510 125.510 121.885 3.625 25260 3990 1 49 . 1 1 3 3 VAL HA H 3 3.685 3.685 4.075 -0.390 25260 3991 1 49 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.857 -0.530 25260 3992 1 49 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.891 0.173 25260 3993 1 49 . 1 1 3 3 VAL H H 3 8.149 8.149 7.981 0.168 25260 3994 1 49 . 1 1 4 4 GLU N N 4 125.884 125.884 120.043 5.841 25260 3995 1 49 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.068 0.207 25260 3996 1 49 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.757 -2.443 25260 3997 1 49 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.450 -1.461 25260 3998 1 49 . 1 1 4 4 GLU H H 4 8.161 8.161 8.581 -0.420 25260 3999 1 49 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.138 -0.038 25260 4000 1 49 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.748 0.097 25260 4001 1 49 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.276 1.049 25260 4002 1 49 . 1 1 5 5 GLN H H 5 8.299 8.299 8.639 -0.340 25260 4003 1 49 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.469 0.477 25260 4004 1 49 . 1 1 6 6 CYS H H 6 8.337 8.337 7.809 0.528 25260 4005 1 49 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.340 0.529 25260 4006 1 49 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.165 -3.929 25260 4007 1 49 . 1 1 7 7 CYS CB C 7 38.994 38.994 26.986 12.008 25260 4008 1 49 . 1 1 7 7 CYS H H 7 8.297 8.297 8.025 0.272 25260 4009 1 49 . 1 1 8 8 THR N N 8 122.151 122.151 114.828 7.323 25260 4010 1 49 . 1 1 8 8 THR HA H 8 4.087 4.087 4.327 -0.240 25260 4011 1 49 . 1 1 8 8 THR CA C 8 64.845 64.845 64.021 0.824 25260 4012 1 49 . 1 1 8 8 THR CB C 8 68.652 68.652 69.616 -0.964 25260 4013 1 49 . 1 1 8 8 THR H H 8 8.270 8.270 8.333 -0.063 25260 4014 1 49 . 1 1 9 9 SER HA H 9 4.801 4.801 4.754 0.047 25260 4015 1 49 . 1 1 9 9 SER CA C 9 56.219 56.219 56.328 -0.109 25260 4016 1 49 . 1 1 9 9 SER CB C 9 64.263 64.263 65.046 -0.783 25260 4017 1 49 . 1 1 9 9 SER H H 9 7.471 7.471 7.604 -0.133 25260 4018 1 49 . 1 1 10 10 ILE N N 10 119.738 119.738 119.816 -0.078 25260 4019 1 49 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.181 0.197 25260 4020 1 49 . 1 1 10 10 ILE CA C 10 60.082 60.082 61.330 -1.248 25260 4021 1 49 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.533 1.708 25260 4022 1 49 . 1 1 10 10 ILE H H 10 7.857 7.857 8.305 -0.448 25260 4023 1 49 . 1 1 11 11 CYS H H 11 9.732 9.732 8.514 1.218 25260 4024 1 49 . 1 1 12 12 SER N N 12 119.584 119.584 115.486 4.098 25260 4025 1 49 . 1 1 12 12 SER HA H 12 4.616 4.616 4.615 0.001 25260 4026 1 49 . 1 1 12 12 SER CA C 12 56.713 56.713 57.051 -0.338 25260 4027 1 49 . 1 1 12 12 SER CB C 12 65.844 65.844 65.754 0.090 25260 4028 1 49 . 1 1 12 12 SER H H 12 8.788 8.788 8.137 0.651 25260 4029 1 49 . 1 1 13 13 LEU N N 13 123.958 123.958 118.617 5.341 25260 4030 1 49 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.038 -0.167 25260 4031 1 49 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.643 0.859 25260 4032 1 49 . 1 1 13 13 LEU CB C 13 41.333 41.333 41.144 0.189 25260 4033 1 49 . 1 1 13 13 LEU H H 13 8.647 8.647 8.591 0.056 25260 4034 1 49 . 1 1 14 14 TYR N N 14 117.677 117.677 117.129 0.548 25260 4035 1 49 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.663 -0.487 25260 4036 1 49 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.307 -0.090 25260 4037 1 49 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.427 0.411 25260 4038 1 49 . 1 1 14 14 TYR H H 14 7.509 7.509 7.153 0.356 25260 4039 1 49 . 1 1 15 15 GLN N N 15 120.146 120.146 117.722 2.424 25260 4040 1 49 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.186 -0.181 25260 4041 1 49 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.097 0.577 25260 4042 1 49 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.555 0.641 25260 4043 1 49 . 1 1 15 15 GLN H H 15 7.576 7.576 7.618 -0.042 25260 4044 1 49 . 1 1 16 16 LEU N N 16 122.310 122.310 120.777 1.533 25260 4045 1 49 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.284 -0.093 25260 4046 1 49 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.765 0.548 25260 4047 1 49 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.580 0.614 25260 4048 1 49 . 1 1 16 16 LEU H H 16 8.116 8.116 8.406 -0.290 25260 4049 1 49 . 1 1 17 17 GLU N N 17 116.342 116.342 119.647 -3.305 25260 4050 1 49 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.044 0.166 25260 4051 1 49 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.297 -1.553 25260 4052 1 49 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.175 -1.427 25260 4053 1 49 . 1 1 17 17 GLU H H 17 8.099 8.099 8.279 -0.180 25260 4054 1 49 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.517 -0.016 25260 4055 1 49 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.834 -0.890 25260 4056 1 49 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.289 0.304 25260 4057 1 49 . 1 1 18 18 ASN H H 18 7.447 7.447 7.907 -0.460 25260 4058 1 49 . 1 1 19 19 TYR N N 19 118.955 118.955 119.590 -0.635 25260 4059 1 49 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.388 0.092 25260 4060 1 49 . 1 1 19 19 TYR CA C 19 59.210 59.210 60.667 -1.457 25260 4061 1 49 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.516 -0.219 25260 4062 1 49 . 1 1 19 19 TYR H H 19 7.934 7.934 8.188 -0.254 25260 4063 1 49 . 1 1 20 20 CYS N N 20 118.333 118.333 114.750 3.583 25260 4064 1 49 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.880 0.023 25260 4065 1 49 . 1 1 20 20 CYS CA C 20 53.902 53.902 56.407 -2.506 25260 4066 1 49 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.354 8.832 25260 4067 1 49 . 1 1 20 20 CYS H H 20 7.457 7.457 7.934 -0.477 25260 4068 1 50 . 1 1 2 2 ILE N N 2 123.472 123.472 124.027 -0.555 25260 4069 1 50 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.895 0.082 25260 4070 1 50 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.428 -4.351 25260 4071 1 50 . 1 1 2 2 ILE H H 2 8.536 8.536 8.626 -0.090 25260 4072 1 50 . 1 1 3 3 VAL N N 3 125.510 125.510 118.975 6.535 25260 4073 1 50 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.862 -0.177 25260 4074 1 50 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.316 0.011 25260 4075 1 50 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.740 0.324 25260 4076 1 50 . 1 1 3 3 VAL H H 3 8.149 8.149 8.086 0.063 25260 4077 1 50 . 1 1 4 4 GLU N N 4 125.884 125.884 120.138 5.746 25260 4078 1 50 . 1 1 4 4 GLU HA H 4 4.275 4.275 3.987 0.288 25260 4079 1 50 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.869 -2.555 25260 4080 1 50 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.327 -1.338 25260 4081 1 50 . 1 1 4 4 GLU H H 4 8.161 8.161 7.777 0.384 25260 4082 1 50 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.139 -0.039 25260 4083 1 50 . 1 1 5 5 GLN CA C 5 58.845 58.845 59.097 -0.252 25260 4084 1 50 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.689 0.636 25260 4085 1 50 . 1 1 5 5 GLN H H 5 8.299 8.299 8.326 -0.027 25260 4086 1 50 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.508 0.438 25260 4087 1 50 . 1 1 6 6 CYS H H 6 8.337 8.337 7.766 0.571 25260 4088 1 50 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.315 0.554 25260 4089 1 50 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.138 -3.902 25260 4090 1 50 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.171 11.823 25260 4091 1 50 . 1 1 7 7 CYS H H 7 8.297 8.297 8.346 -0.049 25260 4092 1 50 . 1 1 8 8 THR N N 8 122.151 122.151 113.289 8.862 25260 4093 1 50 . 1 1 8 8 THR HA H 8 4.087 4.087 4.279 -0.192 25260 4094 1 50 . 1 1 8 8 THR CA C 8 64.845 64.845 63.769 1.077 25260 4095 1 50 . 1 1 8 8 THR CB C 8 68.652 68.652 68.911 -0.259 25260 4096 1 50 . 1 1 8 8 THR H H 8 8.270 8.270 8.456 -0.186 25260 4097 1 50 . 1 1 9 9 SER HA H 9 4.801 4.801 4.642 0.159 25260 4098 1 50 . 1 1 9 9 SER CA C 9 56.219 56.219 56.334 -0.115 25260 4099 1 50 . 1 1 9 9 SER CB C 9 64.263 64.263 65.623 -1.360 25260 4100 1 50 . 1 1 9 9 SER H H 9 7.471 7.471 7.368 0.103 25260 4101 1 50 . 1 1 10 10 ILE N N 10 119.738 119.738 121.090 -1.352 25260 4102 1 50 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.262 0.116 25260 4103 1 50 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.406 -0.324 25260 4104 1 50 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.539 1.702 25260 4105 1 50 . 1 1 10 10 ILE H H 10 7.857 7.857 8.241 -0.384 25260 4106 1 50 . 1 1 11 11 CYS H H 11 9.732 9.732 8.460 1.272 25260 4107 1 50 . 1 1 12 12 SER N N 12 119.584 119.584 118.284 1.300 25260 4108 1 50 . 1 1 12 12 SER HA H 12 4.616 4.616 4.594 0.022 25260 4109 1 50 . 1 1 12 12 SER CA C 12 56.713 56.713 57.222 -0.509 25260 4110 1 50 . 1 1 12 12 SER CB C 12 65.844 65.844 64.441 1.403 25260 4111 1 50 . 1 1 12 12 SER H H 12 8.788 8.788 8.411 0.377 25260 4112 1 50 . 1 1 13 13 LEU N N 13 123.958 123.958 117.536 6.422 25260 4113 1 50 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.066 -0.195 25260 4114 1 50 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.319 1.183 25260 4115 1 50 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.917 0.416 25260 4116 1 50 . 1 1 13 13 LEU H H 13 8.647 8.647 8.439 0.208 25260 4117 1 50 . 1 1 14 14 TYR N N 14 117.677 117.677 116.531 1.146 25260 4118 1 50 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.682 -0.506 25260 4119 1 50 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.151 0.066 25260 4120 1 50 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.462 0.376 25260 4121 1 50 . 1 1 14 14 TYR H H 14 7.509 7.509 7.107 0.402 25260 4122 1 50 . 1 1 15 15 GLN N N 15 120.146 120.146 117.509 2.637 25260 4123 1 50 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.179 -0.174 25260 4124 1 50 . 1 1 15 15 GLN CA C 15 58.674 58.674 57.869 0.805 25260 4125 1 50 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.488 0.708 25260 4126 1 50 . 1 1 15 15 GLN H H 15 7.576 7.576 7.627 -0.051 25260 4127 1 50 . 1 1 16 16 LEU N N 16 122.310 122.310 121.030 1.280 25260 4128 1 50 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.295 -0.104 25260 4129 1 50 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.897 0.416 25260 4130 1 50 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.640 0.554 25260 4131 1 50 . 1 1 16 16 LEU H H 16 8.116 8.116 8.248 -0.132 25260 4132 1 50 . 1 1 17 17 GLU N N 17 116.342 116.342 119.497 -3.155 25260 4133 1 50 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.069 0.141 25260 4134 1 50 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.178 -1.434 25260 4135 1 50 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.138 -1.390 25260 4136 1 50 . 1 1 17 17 GLU H H 17 8.099 8.099 8.178 -0.079 25260 4137 1 50 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.512 -0.011 25260 4138 1 50 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.311 -0.367 25260 4139 1 50 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.465 0.128 25260 4140 1 50 . 1 1 18 18 ASN H H 18 7.447 7.447 7.765 -0.318 25260 4141 1 50 . 1 1 19 19 TYR N N 19 118.955 118.955 116.779 2.176 25260 4142 1 50 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.470 0.010 25260 4143 1 50 . 1 1 19 19 TYR CA C 19 59.210 59.210 58.791 0.419 25260 4144 1 50 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.649 -0.352 25260 4145 1 50 . 1 1 19 19 TYR H H 19 7.934 7.934 7.821 0.113 25260 4146 1 50 . 1 1 20 20 CYS N N 20 118.333 118.333 119.718 -1.385 25260 4147 1 50 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.474 0.429 25260 4148 1 50 . 1 1 20 20 CYS CA C 20 53.902 53.902 59.016 -5.114 25260 4149 1 50 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.317 8.869 25260 4150 1 50 . 1 1 20 20 CYS H H 20 7.457 7.457 7.651 -0.194 25260 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 13 4.475 -2.557 3.822 25260 2 1 1 "Average Difference" HA 18 0.227 -0.057 0.226 25260 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25260 4 1 1 "Average Difference" CA 16 1.586 0.719 1.460 25260 5 1 1 "Average Difference" CB 17 3.417 -0.943 3.385 25260 6 1 1 "Average Difference" HN 19 0.361 -0.064 0.365 25260 7 1 2 "Average Difference" N 13 4.221 -2.086 3.820 25260 8 1 2 "Average Difference" HA 18 0.265 -0.064 0.264 25260 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25260 10 1 2 "Average Difference" CA 16 1.841 0.822 1.701 25260 11 1 2 "Average Difference" CB 17 4.335 -1.389 4.233 25260 12 1 2 "Average Difference" HN 19 0.388 -0.000 0.398 25260 13 1 3 "Average Difference" N 13 3.964 -1.872 3.637 25260 14 1 3 "Average Difference" HA 18 0.292 -0.065 0.293 25260 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25260 16 1 3 "Average Difference" CA 16 2.000 0.917 1.835 25260 17 1 3 "Average Difference" CB 17 4.121 -1.224 4.056 25260 18 1 3 "Average Difference" HN 19 0.390 -0.050 0.397 25260 19 1 4 "Average Difference" N 13 3.910 -1.937 3.535 25260 20 1 4 "Average Difference" HA 18 0.281 -0.072 0.279 25260 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25260 22 1 4 "Average Difference" CA 16 1.898 0.924 1.712 25260 23 1 4 "Average Difference" CB 17 3.954 -1.202 3.883 25260 24 1 4 "Average Difference" HN 19 0.375 -0.021 0.384 25260 25 1 5 "Average Difference" N 13 4.036 -2.197 3.524 25260 26 1 5 "Average Difference" HA 18 0.267 -0.047 0.271 25260 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25260 28 1 5 "Average Difference" CA 16 1.761 0.858 1.589 25260 29 1 5 "Average Difference" CB 17 3.704 -1.037 3.665 25260 30 1 5 "Average Difference" HN 19 0.393 -0.104 0.389 25260 31 1 6 "Average Difference" N 13 4.071 -1.941 3.725 25260 32 1 6 "Average Difference" HA 18 0.241 -0.029 0.246 25260 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25260 34 1 6 "Average Difference" CA 16 1.602 0.815 1.424 25260 35 1 6 "Average Difference" CB 17 3.809 -0.969 3.797 25260 36 1 6 "Average Difference" HN 19 0.360 -0.034 0.368 25260 37 1 7 "Average Difference" N 13 3.980 -2.383 3.319 25260 38 1 7 "Average Difference" HA 18 0.235 -0.044 0.237 25260 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25260 40 1 7 "Average Difference" CA 16 1.717 0.864 1.533 25260 41 1 7 "Average Difference" CB 17 4.287 -1.183 4.248 25260 42 1 7 "Average Difference" HN 19 0.339 -0.062 0.342 25260 43 1 8 "Average Difference" N 13 3.803 -2.174 3.248 25260 44 1 8 "Average Difference" HA 18 0.273 -0.014 0.280 25260 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25260 46 1 8 "Average Difference" CA 16 1.737 0.779 1.603 25260 47 1 8 "Average Difference" CB 17 3.652 -0.988 3.624 25260 48 1 8 "Average Difference" HN 19 0.396 -0.062 0.401 25260 49 1 9 "Average Difference" N 13 3.867 -2.417 3.142 25260 50 1 9 "Average Difference" HA 18 0.168 -0.017 0.172 25260 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25260 52 1 9 "Average Difference" CA 16 1.637 0.774 1.490 25260 53 1 9 "Average Difference" CB 17 4.070 -1.065 4.049 25260 54 1 9 "Average Difference" HN 19 0.485 -0.126 0.481 25260 55 1 10 "Average Difference" N 13 4.238 -2.397 3.637 25260 56 1 10 "Average Difference" HA 18 0.265 -0.025 0.272 25260 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25260 58 1 10 "Average Difference" CA 16 1.599 0.824 1.414 25260 59 1 10 "Average Difference" CB 17 3.859 -1.031 3.834 25260 60 1 10 "Average Difference" HN 19 0.415 -0.085 0.417 25260 61 1 11 "Average Difference" N 13 4.288 -2.201 3.830 25260 62 1 11 "Average Difference" HA 18 0.250 -0.073 0.246 25260 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25260 64 1 11 "Average Difference" CA 16 1.825 0.894 1.644 25260 65 1 11 "Average Difference" CB 17 4.282 -1.304 4.205 25260 66 1 11 "Average Difference" HN 19 0.349 0.012 0.359 25260 67 1 12 "Average Difference" N 13 3.993 -2.168 3.490 25260 68 1 12 "Average Difference" HA 18 0.245 -0.008 0.252 25260 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25260 70 1 12 "Average Difference" CA 16 1.808 0.863 1.641 25260 71 1 12 "Average Difference" CB 17 3.948 -1.018 3.932 25260 72 1 12 "Average Difference" HN 19 0.401 -0.089 0.401 25260 73 1 13 "Average Difference" N 13 4.250 -2.257 3.749 25260 74 1 13 "Average Difference" HA 18 0.259 -0.050 0.261 25260 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25260 76 1 13 "Average Difference" CA 16 2.009 0.879 1.866 25260 77 1 13 "Average Difference" CB 17 3.890 -1.142 3.833 25260 78 1 13 "Average Difference" HN 19 0.323 -0.046 0.329 25260 79 1 14 "Average Difference" N 13 3.687 -1.706 3.402 25260 80 1 14 "Average Difference" HA 18 0.276 -0.052 0.279 25260 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25260 82 1 14 "Average Difference" CA 16 1.785 0.833 1.631 25260 83 1 14 "Average Difference" CB 17 4.280 -1.122 4.257 25260 84 1 14 "Average Difference" HN 19 0.311 0.017 0.319 25260 85 1 15 "Average Difference" N 13 3.996 -2.039 3.577 25260 86 1 15 "Average Difference" HA 18 0.232 -0.045 0.234 25260 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25260 88 1 15 "Average Difference" CA 16 1.725 0.786 1.585 25260 89 1 15 "Average Difference" CB 17 3.980 -1.149 3.928 25260 90 1 15 "Average Difference" HN 19 0.372 -0.030 0.381 25260 91 1 16 "Average Difference" N 13 4.083 -2.352 3.474 25260 92 1 16 "Average Difference" HA 18 0.251 -0.026 0.256 25260 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25260 94 1 16 "Average Difference" CA 16 1.610 0.773 1.459 25260 95 1 16 "Average Difference" CB 17 3.894 -1.164 3.830 25260 96 1 16 "Average Difference" HN 19 0.397 -0.043 0.405 25260 97 1 17 "Average Difference" N 13 3.707 -1.774 3.388 25260 98 1 17 "Average Difference" HA 18 0.317 -0.065 0.319 25260 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25260 100 1 17 "Average Difference" CA 16 2.117 1.069 1.887 25260 101 1 17 "Average Difference" CB 17 4.234 -1.343 4.139 25260 102 1 17 "Average Difference" HN 19 0.366 -0.024 0.375 25260 103 1 18 "Average Difference" N 13 3.849 -2.289 3.220 25260 104 1 18 "Average Difference" HA 18 0.275 -0.014 0.283 25260 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25260 106 1 18 "Average Difference" CA 16 1.899 0.720 1.815 25260 107 1 18 "Average Difference" CB 17 3.831 -1.017 3.807 25260 108 1 18 "Average Difference" HN 19 0.399 -0.090 0.400 25260 109 1 19 "Average Difference" N 13 4.045 -2.252 3.498 25260 110 1 19 "Average Difference" HA 18 0.223 -0.068 0.218 25260 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25260 112 1 19 "Average Difference" CA 16 1.511 0.707 1.380 25260 113 1 19 "Average Difference" CB 17 3.970 -1.197 3.902 25260 114 1 19 "Average Difference" HN 19 0.452 -0.058 0.461 25260 115 1 20 "Average Difference" N 13 3.802 -1.821 3.474 25260 116 1 20 "Average Difference" HA 18 0.266 -0.044 0.269 25260 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25260 118 1 20 "Average Difference" CA 16 1.843 0.693 1.763 25260 119 1 20 "Average Difference" CB 17 3.760 -1.155 3.688 25260 120 1 20 "Average Difference" HN 19 0.308 -0.067 0.309 25260 121 1 21 "Average Difference" N 13 3.988 -1.827 3.690 25260 122 1 21 "Average Difference" HA 18 0.272 -0.055 0.274 25260 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 25260 124 1 21 "Average Difference" CA 16 1.744 0.760 1.622 25260 125 1 21 "Average Difference" CB 17 3.779 -1.158 3.708 25260 126 1 21 "Average Difference" HN 19 0.321 -0.104 0.312 25260 127 1 22 "Average Difference" N 13 3.918 -1.925 3.552 25260 128 1 22 "Average Difference" HA 18 0.281 -0.034 0.287 25260 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 25260 130 1 22 "Average Difference" CA 16 1.775 0.803 1.635 25260 131 1 22 "Average Difference" CB 17 3.970 -1.200 3.900 25260 132 1 22 "Average Difference" HN 19 0.343 -0.049 0.349 25260 133 1 23 "Average Difference" N 13 3.991 -2.140 3.506 25260 134 1 23 "Average Difference" HA 18 0.270 -0.045 0.274 25260 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 25260 136 1 23 "Average Difference" CA 16 1.735 0.843 1.566 25260 137 1 23 "Average Difference" CB 17 3.828 -1.053 3.793 25260 138 1 23 "Average Difference" HN 19 0.365 -0.036 0.373 25260 139 1 24 "Average Difference" N 13 4.261 -2.087 3.867 25260 140 1 24 "Average Difference" HA 18 0.257 -0.090 0.247 25260 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 25260 142 1 24 "Average Difference" CA 16 2.061 0.967 1.880 25260 143 1 24 "Average Difference" CB 17 3.862 -1.226 3.775 25260 144 1 24 "Average Difference" HN 19 0.381 -0.103 0.377 25260 145 1 25 "Average Difference" N 13 3.880 -2.071 3.415 25260 146 1 25 "Average Difference" HA 18 0.197 -0.031 0.201 25260 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 25260 148 1 25 "Average Difference" CA 16 1.477 0.798 1.284 25260 149 1 25 "Average Difference" CB 17 3.781 -1.049 3.744 25260 150 1 25 "Average Difference" HN 19 0.375 -0.004 0.385 25260 151 1 26 "Average Difference" N 13 4.038 -1.856 3.732 25260 152 1 26 "Average Difference" HA 18 0.289 -0.051 0.292 25260 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 25260 154 1 26 "Average Difference" CA 16 2.011 1.011 1.795 25260 155 1 26 "Average Difference" CB 17 4.128 -1.210 4.068 25260 156 1 26 "Average Difference" HN 19 0.348 -0.087 0.346 25260 157 1 27 "Average Difference" N 13 3.777 -2.129 3.247 25260 158 1 27 "Average Difference" HA 18 0.301 -0.061 0.304 25260 159 1 27 "Average Difference" C 0 0.000 0.000 0.000 25260 160 1 27 "Average Difference" CA 16 1.988 0.921 1.820 25260 161 1 27 "Average Difference" CB 17 3.857 -1.075 3.818 25260 162 1 27 "Average Difference" HN 19 0.315 -0.022 0.322 25260 163 1 28 "Average Difference" N 13 3.913 -2.157 3.398 25260 164 1 28 "Average Difference" HA 18 0.238 -0.063 0.236 25260 165 1 28 "Average Difference" C 0 0.000 0.000 0.000 25260 166 1 28 "Average Difference" CA 16 1.755 0.796 1.615 25260 167 1 28 "Average Difference" CB 17 3.654 -1.123 3.584 25260 168 1 28 "Average Difference" HN 19 0.322 -0.041 0.328 25260 169 1 29 "Average Difference" N 13 3.383 -1.670 3.062 25260 170 1 29 "Average Difference" HA 18 0.274 -0.085 0.268 25260 171 1 29 "Average Difference" C 0 0.000 0.000 0.000 25260 172 1 29 "Average Difference" CA 16 2.155 1.038 1.950 25260 173 1 29 "Average Difference" CB 17 4.260 -1.281 4.187 25260 174 1 29 "Average Difference" HN 19 0.384 -0.028 0.393 25260 175 1 30 "Average Difference" N 13 4.076 -2.287 3.511 25260 176 1 30 "Average Difference" HA 18 0.251 -0.070 0.248 25260 177 1 30 "Average Difference" C 0 0.000 0.000 0.000 25260 178 1 30 "Average Difference" CA 16 2.009 0.985 1.808 25260 179 1 30 "Average Difference" CB 17 3.881 -1.133 3.826 25260 180 1 30 "Average Difference" HN 19 0.459 -0.056 0.468 25260 181 1 31 "Average Difference" N 13 3.865 -1.898 3.503 25260 182 1 31 "Average Difference" HA 18 0.282 -0.071 0.281 25260 183 1 31 "Average Difference" C 0 0.000 0.000 0.000 25260 184 1 31 "Average Difference" CA 16 1.971 0.904 1.809 25260 185 1 31 "Average Difference" CB 17 3.879 -1.162 3.815 25260 186 1 31 "Average Difference" HN 19 0.391 -0.006 0.402 25260 187 1 32 "Average Difference" N 13 3.698 -2.047 3.206 25260 188 1 32 "Average Difference" HA 18 0.258 -0.041 0.262 25260 189 1 32 "Average Difference" C 0 0.000 0.000 0.000 25260 190 1 32 "Average Difference" CA 16 1.763 0.856 1.592 25260 191 1 32 "Average Difference" CB 17 3.748 -1.037 3.713 25260 192 1 32 "Average Difference" HN 19 0.327 0.023 0.335 25260 193 1 33 "Average Difference" N 13 4.071 -2.165 3.589 25260 194 1 33 "Average Difference" HA 18 0.256 -0.056 0.257 25260 195 1 33 "Average Difference" C 0 0.000 0.000 0.000 25260 196 1 33 "Average Difference" CA 16 1.919 0.900 1.750 25260 197 1 33 "Average Difference" CB 17 3.899 -1.140 3.843 25260 198 1 33 "Average Difference" HN 19 0.415 -0.042 0.425 25260 199 1 34 "Average Difference" N 13 4.139 -2.386 3.520 25260 200 1 34 "Average Difference" HA 18 0.202 -0.068 0.196 25260 201 1 34 "Average Difference" C 0 0.000 0.000 0.000 25260 202 1 34 "Average Difference" CA 16 1.787 0.664 1.714 25260 203 1 34 "Average Difference" CB 17 3.701 -1.150 3.626 25260 204 1 34 "Average Difference" HN 19 0.424 -0.123 0.417 25260 205 1 35 "Average Difference" N 13 4.267 -2.668 3.465 25260 206 1 35 "Average Difference" HA 18 0.233 -0.049 0.234 25260 207 1 35 "Average Difference" C 0 0.000 0.000 0.000 25260 208 1 35 "Average Difference" CA 16 1.608 0.713 1.488 25260 209 1 35 "Average Difference" CB 17 4.237 -1.243 4.176 25260 210 1 35 "Average Difference" HN 19 0.387 -0.109 0.382 25260 211 1 36 "Average Difference" N 13 3.990 -2.383 3.331 25260 212 1 36 "Average Difference" HA 18 0.241 -0.033 0.246 25260 213 1 36 "Average Difference" C 0 0.000 0.000 0.000 25260 214 1 36 "Average Difference" CA 16 2.038 0.857 1.910 25260 215 1 36 "Average Difference" CB 17 3.873 -1.134 3.818 25260 216 1 36 "Average Difference" HN 19 0.350 -0.066 0.354 25260 217 1 37 "Average Difference" N 13 3.651 -1.721 3.352 25260 218 1 37 "Average Difference" HA 18 0.280 -0.074 0.277 25260 219 1 37 "Average Difference" C 0 0.000 0.000 0.000 25260 220 1 37 "Average Difference" CA 16 2.006 0.930 1.836 25260 221 1 37 "Average Difference" CB 17 3.895 -1.159 3.833 25260 222 1 37 "Average Difference" HN 19 0.356 -0.043 0.363 25260 223 1 38 "Average Difference" N 13 3.871 -1.882 3.521 25260 224 1 38 "Average Difference" HA 18 0.292 -0.043 0.298 25260 225 1 38 "Average Difference" C 0 0.000 0.000 0.000 25260 226 1 38 "Average Difference" CA 16 1.958 0.841 1.826 25260 227 1 38 "Average Difference" CB 17 3.889 -1.109 3.842 25260 228 1 38 "Average Difference" HN 19 0.333 -0.026 0.341 25260 229 1 39 "Average Difference" N 13 4.117 -2.118 3.675 25260 230 1 39 "Average Difference" HA 18 0.278 -0.053 0.280 25260 231 1 39 "Average Difference" C 0 0.000 0.000 0.000 25260 232 1 39 "Average Difference" CA 16 2.007 0.913 1.846 25260 233 1 39 "Average Difference" CB 17 4.172 -1.183 4.123 25260 234 1 39 "Average Difference" HN 19 0.303 -0.015 0.311 25260 235 1 40 "Average Difference" N 13 3.726 -1.758 3.419 25260 236 1 40 "Average Difference" HA 18 0.298 -0.055 0.301 25260 237 1 40 "Average Difference" C 0 0.000 0.000 0.000 25260 238 1 40 "Average Difference" CA 16 1.916 0.935 1.727 25260 239 1 40 "Average Difference" CB 17 3.810 -1.082 3.766 25260 240 1 40 "Average Difference" HN 19 0.353 -0.004 0.362 25260 241 1 41 "Average Difference" N 13 4.032 -2.204 3.515 25260 242 1 41 "Average Difference" HA 18 0.205 -0.028 0.209 25260 243 1 41 "Average Difference" C 0 0.000 0.000 0.000 25260 244 1 41 "Average Difference" CA 16 1.578 0.645 1.487 25260 245 1 41 "Average Difference" CB 17 3.958 -1.151 3.903 25260 246 1 41 "Average Difference" HN 19 0.367 -0.051 0.373 25260 247 1 42 "Average Difference" N 13 4.297 -2.489 3.646 25260 248 1 42 "Average Difference" HA 18 0.241 -0.077 0.235 25260 249 1 42 "Average Difference" C 0 0.000 0.000 0.000 25260 250 1 42 "Average Difference" CA 16 1.895 0.750 1.798 25260 251 1 42 "Average Difference" CB 17 3.837 -1.030 3.810 25260 252 1 42 "Average Difference" HN 19 0.497 -0.094 0.502 25260 253 1 43 "Average Difference" N 13 4.114 -2.375 3.496 25260 254 1 43 "Average Difference" HA 18 0.246 -0.027 0.252 25260 255 1 43 "Average Difference" C 0 0.000 0.000 0.000 25260 256 1 43 "Average Difference" CA 16 1.627 0.963 1.354 25260 257 1 43 "Average Difference" CB 17 3.797 -1.057 3.759 25260 258 1 43 "Average Difference" HN 19 0.485 0.012 0.498 25260 259 1 44 "Average Difference" N 13 3.995 -2.510 3.235 25260 260 1 44 "Average Difference" HA 18 0.261 -0.016 0.268 25260 261 1 44 "Average Difference" C 0 0.000 0.000 0.000 25260 262 1 44 "Average Difference" CA 16 1.331 0.489 1.278 25260 263 1 44 "Average Difference" CB 17 3.344 -0.901 3.320 25260 264 1 44 "Average Difference" HN 19 0.483 -0.095 0.487 25260 265 1 45 "Average Difference" N 13 4.092 -2.266 3.546 25260 266 1 45 "Average Difference" HA 18 0.277 -0.043 0.281 25260 267 1 45 "Average Difference" C 0 0.000 0.000 0.000 25260 268 1 45 "Average Difference" CA 16 1.610 0.776 1.456 25260 269 1 45 "Average Difference" CB 17 4.180 -1.243 4.114 25260 270 1 45 "Average Difference" HN 19 0.435 -0.093 0.437 25260 271 1 46 "Average Difference" N 13 3.986 -2.150 3.493 25260 272 1 46 "Average Difference" HA 18 0.272 -0.035 0.278 25260 273 1 46 "Average Difference" C 0 0.000 0.000 0.000 25260 274 1 46 "Average Difference" CA 16 2.020 0.854 1.891 25260 275 1 46 "Average Difference" CB 17 3.851 -1.160 3.785 25260 276 1 46 "Average Difference" HN 19 0.334 -0.037 0.341 25260 277 1 47 "Average Difference" N 13 4.142 -2.025 3.760 25260 278 1 47 "Average Difference" HA 18 0.260 -0.048 0.263 25260 279 1 47 "Average Difference" C 0 0.000 0.000 0.000 25260 280 1 47 "Average Difference" CA 16 1.807 0.875 1.633 25260 281 1 47 "Average Difference" CB 17 3.809 -1.035 3.779 25260 282 1 47 "Average Difference" HN 19 0.389 0.005 0.399 25260 283 1 48 "Average Difference" N 13 4.116 -2.336 3.528 25260 284 1 48 "Average Difference" HA 18 0.236 -0.072 0.231 25260 285 1 48 "Average Difference" C 0 0.000 0.000 0.000 25260 286 1 48 "Average Difference" CA 16 1.774 0.904 1.577 25260 287 1 48 "Average Difference" CB 17 3.797 -1.064 3.757 25260 288 1 48 "Average Difference" HN 19 0.432 -0.109 0.430 25260 289 1 49 "Average Difference" N 13 3.831 -2.596 2.933 25260 290 1 49 "Average Difference" HA 18 0.267 0.014 0.274 25260 291 1 49 "Average Difference" C 0 0.000 0.000 0.000 25260 292 1 49 "Average Difference" CA 16 1.522 0.762 1.360 25260 293 1 49 "Average Difference" CB 17 3.894 -0.953 3.891 25260 294 1 49 "Average Difference" HN 19 0.445 -0.031 0.456 25260 295 1 50 "Average Difference" N 13 4.168 -2.281 3.631 25260 296 1 50 "Average Difference" HA 18 0.262 -0.047 0.265 25260 297 1 50 "Average Difference" C 0 0.000 0.000 0.000 25260 298 1 50 "Average Difference" CA 16 1.839 0.662 1.772 25260 299 1 50 "Average Difference" CB 17 3.832 -1.052 3.798 25260 300 1 50 "Average Difference" HN 19 0.386 -0.104 0.381 25260 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 25260 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ILE N N 2 123.472 123.472 121.567 1.905 25260 2 1 . 1 1 2 2 ILE HA H 2 3.977 3.977 3.912 0.065 25260 3 1 . 1 1 2 2 ILE CB C 2 34.077 34.077 38.436 -4.359 25260 4 1 . 1 1 2 2 ILE H H 2 8.536 8.536 8.482 0.054 25260 5 1 . 1 1 3 3 VAL N N 3 125.510 125.510 120.122 5.388 25260 6 1 . 1 1 3 3 VAL HA H 3 3.685 3.685 3.975 -0.290 25260 7 1 . 1 1 3 3 VAL CA C 3 65.327 65.327 65.615 -0.288 25260 8 1 . 1 1 3 3 VAL CB C 3 32.064 32.064 31.444 0.620 25260 9 1 . 1 1 3 3 VAL H H 3 8.149 8.149 8.056 0.093 25260 10 1 . 1 1 4 4 GLU N N 4 125.884 125.884 119.631 6.253 25260 11 1 . 1 1 4 4 GLU HA H 4 4.275 4.275 4.017 0.258 25260 12 1 . 1 1 4 4 GLU CA C 4 57.314 57.314 59.807 -2.493 25260 13 1 . 1 1 4 4 GLU CB C 4 27.989 27.989 29.147 -1.158 25260 14 1 . 1 1 4 4 GLU H H 4 8.161 8.161 8.090 0.071 25260 15 1 . 1 1 5 5 GLN HA H 5 4.100 4.100 4.096 0.004 25260 16 1 . 1 1 5 5 GLN CA C 5 58.845 58.845 58.947 -0.102 25260 17 1 . 1 1 5 5 GLN CB C 5 29.325 29.325 28.620 0.705 25260 18 1 . 1 1 5 5 GLN H H 5 8.299 8.299 8.051 0.248 25260 19 1 . 1 1 6 6 CYS HA H 6 4.946 4.946 4.491 0.455 25260 20 1 . 1 1 6 6 CYS H H 6 8.337 8.337 7.975 0.362 25260 21 1 . 1 1 7 7 CYS HA H 7 4.869 4.869 4.326 0.543 25260 22 1 . 1 1 7 7 CYS CA C 7 57.236 57.236 61.506 -4.270 25260 23 1 . 1 1 7 7 CYS CB C 7 38.994 38.994 27.072 11.922 25260 24 1 . 1 1 7 7 CYS H H 7 8.297 8.297 8.274 0.023 25260 25 1 . 1 1 8 8 THR N N 8 122.151 122.151 113.656 8.494 25260 26 1 . 1 1 8 8 THR HA H 8 4.087 4.087 4.325 -0.238 25260 27 1 . 1 1 8 8 THR CA C 8 64.845 64.845 63.894 0.951 25260 28 1 . 1 1 8 8 THR CB C 8 68.652 68.652 69.271 -0.619 25260 29 1 . 1 1 8 8 THR H H 8 8.270 8.270 8.262 0.008 25260 30 1 . 1 1 9 9 SER HA H 9 4.801 4.801 4.690 0.111 25260 31 1 . 1 1 9 9 SER CA C 9 56.219 56.219 56.801 -0.582 25260 32 1 . 1 1 9 9 SER CB C 9 64.263 64.263 65.338 -1.076 25260 33 1 . 1 1 9 9 SER H H 9 7.471 7.471 7.720 -0.249 25260 34 1 . 1 1 10 10 ILE N N 10 119.738 119.738 121.875 -2.137 25260 35 1 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.159 0.219 25260 36 1 . 1 1 10 10 ILE CA C 10 60.082 60.082 60.834 -0.752 25260 37 1 . 1 1 10 10 ILE CB C 10 39.241 39.241 37.284 1.957 25260 38 1 . 1 1 10 10 ILE H H 10 7.857 7.857 8.309 -0.452 25260 39 1 . 1 1 11 11 CYS H H 11 9.732 9.732 8.635 1.097 25260 40 1 . 1 1 12 12 SER N N 12 119.584 119.584 119.588 -0.004 25260 41 1 . 1 1 12 12 SER HA H 12 4.616 4.616 4.586 0.030 25260 42 1 . 1 1 12 12 SER CA C 12 56.713 56.713 57.419 -0.706 25260 43 1 . 1 1 12 12 SER CB C 12 65.844 65.844 64.554 1.290 25260 44 1 . 1 1 12 12 SER H H 12 8.788 8.788 8.372 0.416 25260 45 1 . 1 1 13 13 LEU N N 13 123.958 123.958 118.644 5.314 25260 46 1 . 1 1 13 13 LEU HA H 13 3.871 3.871 4.045 -0.174 25260 47 1 . 1 1 13 13 LEU CA C 13 58.502 58.502 57.501 1.001 25260 48 1 . 1 1 13 13 LEU CB C 13 41.333 41.333 40.834 0.499 25260 49 1 . 1 1 13 13 LEU H H 13 8.647 8.647 8.512 0.135 25260 50 1 . 1 1 14 14 TYR N N 14 117.677 117.677 117.017 0.660 25260 51 1 . 1 1 14 14 TYR HA H 14 4.176 4.176 4.508 -0.332 25260 52 1 . 1 1 14 14 TYR CA C 14 60.217 60.217 60.445 -0.228 25260 53 1 . 1 1 14 14 TYR CB C 14 37.838 37.838 37.446 0.392 25260 54 1 . 1 1 14 14 TYR H H 14 7.509 7.509 7.295 0.214 25260 55 1 . 1 1 15 15 GLN N N 15 120.146 120.146 117.806 2.340 25260 56 1 . 1 1 15 15 GLN HA H 15 4.005 4.005 4.189 -0.184 25260 57 1 . 1 1 15 15 GLN CA C 15 58.674 58.674 58.207 0.467 25260 58 1 . 1 1 15 15 GLN CB C 15 29.196 29.196 28.661 0.535 25260 59 1 . 1 1 15 15 GLN H H 15 7.576 7.576 7.676 -0.100 25260 60 1 . 1 1 16 16 LEU N N 16 122.310 122.310 120.876 1.434 25260 61 1 . 1 1 16 16 LEU HA H 16 4.191 4.191 4.225 -0.034 25260 62 1 . 1 1 16 16 LEU CA C 16 58.313 58.313 57.880 0.433 25260 63 1 . 1 1 16 16 LEU CB C 16 42.194 42.194 41.656 0.538 25260 64 1 . 1 1 16 16 LEU H H 16 8.116 8.116 8.290 -0.174 25260 65 1 . 1 1 17 17 GLU N N 17 116.342 116.342 119.103 -2.761 25260 66 1 . 1 1 17 17 GLU HA H 17 4.210 4.210 4.066 0.144 25260 67 1 . 1 1 17 17 GLU CA C 17 57.744 57.744 59.254 -1.510 25260 68 1 . 1 1 17 17 GLU CB C 17 27.748 27.748 29.089 -1.341 25260 69 1 . 1 1 17 17 GLU H H 17 8.099 8.099 8.237 -0.138 25260 70 1 . 1 1 18 18 ASN HA H 18 4.501 4.501 4.551 -0.050 25260 71 1 . 1 1 18 18 ASN CA C 18 54.944 54.944 55.439 -0.495 25260 72 1 . 1 1 18 18 ASN CB C 18 38.593 38.593 38.404 0.189 25260 73 1 . 1 1 18 18 ASN H H 18 7.447 7.447 7.845 -0.398 25260 74 1 . 1 1 19 19 TYR N N 19 118.955 118.955 117.671 1.284 25260 75 1 . 1 1 19 19 TYR HA H 19 4.480 4.480 4.420 0.060 25260 76 1 . 1 1 19 19 TYR CA C 19 59.210 59.210 59.670 -0.460 25260 77 1 . 1 1 19 19 TYR CB C 19 38.297 38.297 38.469 -0.172 25260 78 1 . 1 1 19 19 TYR H H 19 7.934 7.934 7.878 0.056 25260 79 1 . 1 1 20 20 CYS N N 20 118.333 118.333 118.625 -0.292 25260 80 1 . 1 1 20 20 CYS HA H 20 4.903 4.903 4.631 0.272 25260 81 1 . 1 1 20 20 CYS CA C 20 53.902 53.902 58.189 -4.287 25260 82 1 . 1 1 20 20 CYS CB C 20 36.186 36.186 27.000 9.186 25260 83 1 . 1 1 20 20 CYS H H 20 7.457 7.457 7.748 -0.291 25260 stop_ save_