data_19390 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19390 _Entry.PDB_ID 2MB6 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 19390 _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 ALA HA H 2 4.391 4.391 4.840 -0.449 19390 2 1 1 . 1 1 2 2 ALA CA C 2 52.919 52.919 52.912 0.007 19390 3 1 1 . 1 1 2 2 ALA CB C 2 19.616 19.616 19.549 0.067 19390 4 1 1 . 1 1 3 3 MET HA H 3 4.488 4.488 4.489 -0.001 19390 5 1 1 . 1 1 3 3 MET CA C 3 55.738 55.738 56.895 -1.157 19390 6 1 1 . 1 1 4 4 GLU N N 4 121.531 121.531 120.524 1.007 19390 7 1 1 . 1 1 4 4 GLU HA H 4 4.365 4.365 4.431 -0.066 19390 8 1 1 . 1 1 4 4 GLU CA C 4 56.625 56.625 55.213 1.412 19390 9 1 1 . 1 1 4 4 GLU CB C 4 30.398 30.398 28.161 2.237 19390 10 1 1 . 1 1 4 4 GLU H H 4 8.288 8.288 8.264 0.024 19390 11 1 1 . 1 1 5 5 MET N N 5 121.777 121.777 119.499 2.278 19390 12 1 1 . 1 1 5 5 MET HA H 5 4.877 4.877 4.708 0.169 19390 13 1 1 . 1 1 5 5 MET CA C 5 53.509 53.509 53.837 -0.328 19390 14 1 1 . 1 1 5 5 MET CB C 5 33.467 33.467 32.003 1.464 19390 15 1 1 . 1 1 5 5 MET H H 5 8.139 8.139 7.611 0.528 19390 16 1 1 . 1 1 6 6 PRO HA H 6 4.335 4.335 4.371 -0.036 19390 17 1 1 . 1 1 6 6 PRO CA C 6 63.752 63.752 63.334 0.418 19390 18 1 1 . 1 1 6 6 PRO CB C 6 31.890 31.890 32.056 -0.167 19390 19 1 1 . 1 1 7 7 THR N N 7 117.518 117.518 118.074 -0.556 19390 20 1 1 . 1 1 7 7 THR HA H 7 4.882 4.882 4.656 0.226 19390 21 1 1 . 1 1 7 7 THR CA C 7 61.507 61.507 61.070 0.437 19390 22 1 1 . 1 1 7 7 THR CB C 7 71.440 71.440 70.706 0.734 19390 23 1 1 . 1 1 7 7 THR H H 7 7.598 7.598 7.808 -0.210 19390 24 1 1 . 1 1 8 8 PHE N N 8 123.123 123.123 125.205 -2.082 19390 25 1 1 . 1 1 8 8 PHE HA H 8 4.688 4.688 4.802 -0.114 19390 26 1 1 . 1 1 8 8 PHE CA C 8 56.645 56.645 56.545 0.100 19390 27 1 1 . 1 1 8 8 PHE CB C 8 42.383 42.383 42.936 -0.553 19390 28 1 1 . 1 1 8 8 PHE H H 8 8.939 8.939 9.116 -0.176 19390 29 1 1 . 1 1 9 9 TYR N N 9 122.356 122.356 124.314 -1.958 19390 30 1 1 . 1 1 9 9 TYR HA H 9 5.334 5.334 5.307 0.027 19390 31 1 1 . 1 1 9 9 TYR CA C 9 56.921 56.921 56.830 0.091 19390 32 1 1 . 1 1 9 9 TYR CB C 9 40.008 40.008 40.646 -0.638 19390 33 1 1 . 1 1 9 9 TYR H H 9 8.503 8.503 8.467 0.036 19390 34 1 1 . 1 1 10 10 LEU N N 10 124.441 124.441 124.139 0.302 19390 35 1 1 . 1 1 10 10 LEU HA H 10 4.687 4.687 4.981 -0.294 19390 36 1 1 . 1 1 10 10 LEU CA C 10 53.736 53.736 52.744 0.992 19390 37 1 1 . 1 1 10 10 LEU CB C 10 46.193 46.193 46.077 0.116 19390 38 1 1 . 1 1 10 10 LEU H H 10 8.716 8.716 8.552 0.164 19390 39 1 1 . 1 1 11 11 ALA N N 11 123.556 123.556 122.776 0.780 19390 40 1 1 . 1 1 11 11 ALA HA H 11 4.906 4.906 5.246 -0.340 19390 41 1 1 . 1 1 11 11 ALA CA C 11 51.631 51.631 50.994 0.637 19390 42 1 1 . 1 1 11 11 ALA CB C 11 20.073 20.073 20.638 -0.565 19390 43 1 1 . 1 1 11 11 ALA H H 11 8.104 8.104 8.184 -0.080 19390 44 1 1 . 1 1 12 12 LEU N N 12 121.796 121.796 123.893 -2.097 19390 45 1 1 . 1 1 12 12 LEU HA H 12 4.502 4.502 4.330 0.172 19390 46 1 1 . 1 1 12 12 LEU CA C 12 53.050 53.050 53.340 -0.290 19390 47 1 1 . 1 1 12 12 LEU CB C 12 43.624 43.624 45.498 -1.874 19390 48 1 1 . 1 1 12 12 LEU H H 12 8.004 8.004 8.723 -0.719 19390 49 1 1 . 1 1 13 13 HIS N N 13 118.912 118.912 121.158 -2.246 19390 50 1 1 . 1 1 13 13 HIS HA H 13 4.758 4.758 4.894 -0.136 19390 51 1 1 . 1 1 13 13 HIS CA C 13 56.865 56.865 56.718 0.148 19390 52 1 1 . 1 1 13 13 HIS CB C 13 29.731 29.731 30.403 -0.672 19390 53 1 1 . 1 1 13 13 HIS H H 13 8.659 8.659 9.073 -0.414 19390 54 1 1 . 1 1 14 14 GLY N N 14 111.509 111.509 112.108 -0.599 19390 55 1 1 . 1 1 14 14 GLY CA C 14 46.332 46.332 46.633 -0.300 19390 56 1 1 . 1 1 14 14 GLY H H 14 8.880 8.880 8.360 0.520 19390 57 1 1 . 1 1 15 15 GLY N N 15 111.541 111.541 113.013 -1.472 19390 58 1 1 . 1 1 15 15 GLY CA C 15 46.391 46.391 44.783 1.608 19390 59 1 1 . 1 1 15 15 GLY H H 15 9.276 9.276 8.390 0.886 19390 60 1 1 . 1 1 16 16 GLN N N 16 118.322 118.322 119.423 -1.101 19390 61 1 1 . 1 1 16 16 GLN HA H 16 4.499 4.499 4.607 -0.108 19390 62 1 1 . 1 1 16 16 GLN CA C 16 54.139 54.139 54.084 0.055 19390 63 1 1 . 1 1 16 16 GLN CB C 16 30.522 30.522 30.636 -0.114 19390 64 1 1 . 1 1 16 16 GLN H H 16 7.376 7.376 7.947 -0.571 19390 65 1 1 . 1 1 17 17 THR N N 17 117.250 117.250 117.466 -0.216 19390 66 1 1 . 1 1 17 17 THR HA H 17 4.662 4.662 4.511 0.151 19390 67 1 1 . 1 1 17 17 THR CA C 17 63.671 63.671 61.958 1.713 19390 68 1 1 . 1 1 17 17 THR CB C 17 68.939 68.939 69.697 -0.758 19390 69 1 1 . 1 1 17 17 THR H H 17 8.379 8.379 8.282 0.097 19390 70 1 1 . 1 1 18 18 TYR N N 18 127.800 127.800 123.145 4.655 19390 71 1 1 . 1 1 18 18 TYR HA H 18 4.737 4.737 5.074 -0.337 19390 72 1 1 . 1 1 18 18 TYR CA C 18 57.312 57.312 56.915 0.397 19390 73 1 1 . 1 1 18 18 TYR CB C 18 41.411 41.411 42.822 -1.411 19390 74 1 1 . 1 1 18 18 TYR H H 18 9.556 9.556 8.674 0.882 19390 75 1 1 . 1 1 19 19 HIS N N 19 121.884 121.884 121.793 0.091 19390 76 1 1 . 1 1 19 19 HIS HA H 19 5.579 5.579 4.754 0.825 19390 77 1 1 . 1 1 19 19 HIS CA C 19 54.290 54.290 55.208 -0.918 19390 78 1 1 . 1 1 19 19 HIS CB C 19 31.704 31.704 31.408 0.296 19390 79 1 1 . 1 1 19 19 HIS H H 19 9.676 9.676 9.345 0.331 19390 80 1 1 . 1 1 20 20 LEU N N 20 127.685 127.685 128.647 -0.962 19390 81 1 1 . 1 1 20 20 LEU HA H 20 5.434 5.434 5.121 0.313 19390 82 1 1 . 1 1 20 20 LEU CA C 20 54.056 54.056 54.166 -0.110 19390 83 1 1 . 1 1 20 20 LEU CB C 20 45.997 45.997 43.673 2.324 19390 84 1 1 . 1 1 20 20 LEU H H 20 9.590 9.590 8.683 0.907 19390 85 1 1 . 1 1 21 21 ILE N N 21 125.555 125.555 129.386 -3.831 19390 86 1 1 . 1 1 21 21 ILE HA H 21 4.642 4.642 4.443 0.199 19390 87 1 1 . 1 1 21 21 ILE CA C 21 61.529 61.529 60.608 0.922 19390 88 1 1 . 1 1 21 21 ILE CB C 21 42.522 42.522 41.272 1.250 19390 89 1 1 . 1 1 21 21 ILE H H 21 8.791 8.791 9.069 -0.278 19390 90 1 1 . 1 1 22 22 VAL N N 22 128.302 128.302 127.712 0.590 19390 91 1 1 . 1 1 22 22 VAL HA H 22 5.014 5.014 5.065 -0.051 19390 92 1 1 . 1 1 22 22 VAL CA C 22 59.804 59.804 59.753 0.051 19390 93 1 1 . 1 1 22 22 VAL CB C 22 33.977 33.977 33.809 0.168 19390 94 1 1 . 1 1 22 22 VAL H H 22 9.741 9.741 8.324 1.417 19390 95 1 1 . 1 1 23 23 ASP N N 23 126.317 126.317 127.842 -1.525 19390 96 1 1 . 1 1 23 23 ASP HA H 23 4.958 4.958 5.027 -0.069 19390 97 1 1 . 1 1 23 23 ASP CA C 23 52.823 52.823 53.308 -0.485 19390 98 1 1 . 1 1 23 23 ASP CB C 23 44.752 44.752 44.861 -0.109 19390 99 1 1 . 1 1 23 23 ASP H H 23 8.595 8.595 8.895 -0.300 19390 100 1 1 . 1 1 24 24 THR N N 24 111.217 111.217 113.501 -2.284 19390 101 1 1 . 1 1 24 24 THR HA H 24 5.053 5.053 4.842 0.211 19390 102 1 1 . 1 1 24 24 THR CA C 24 60.370 60.370 60.566 -0.196 19390 103 1 1 . 1 1 24 24 THR CB C 24 71.606 71.606 71.465 0.142 19390 104 1 1 . 1 1 24 24 THR H H 24 8.769 8.769 8.266 0.503 19390 105 1 1 . 1 1 25 25 ASP N N 25 122.678 122.678 123.709 -1.031 19390 106 1 1 . 1 1 25 25 ASP HA H 25 4.815 4.815 4.652 0.163 19390 107 1 1 . 1 1 25 25 ASP CA C 25 52.701 52.701 53.421 -0.720 19390 108 1 1 . 1 1 25 25 ASP CB C 25 41.548 41.548 42.438 -0.890 19390 109 1 1 . 1 1 25 25 ASP H H 25 8.351 8.351 8.882 -0.531 19390 110 1 1 . 1 1 26 26 SER HA H 26 4.273 4.273 4.283 -0.010 19390 111 1 1 . 1 1 26 26 SER CA C 26 61.172 61.172 61.140 0.032 19390 112 1 1 . 1 1 26 26 SER CB C 26 63.171 63.171 63.104 0.067 19390 113 1 1 . 1 1 27 27 LEU N N 27 121.798 121.798 119.160 2.638 19390 114 1 1 . 1 1 27 27 LEU HA H 27 4.530 4.530 4.237 0.293 19390 115 1 1 . 1 1 27 27 LEU CA C 27 54.639 54.639 55.636 -0.997 19390 116 1 1 . 1 1 27 27 LEU CB C 27 42.333 42.333 42.249 0.084 19390 117 1 1 . 1 1 27 27 LEU H H 27 8.031 8.031 8.729 -0.698 19390 118 1 1 . 1 1 28 28 GLY N N 28 107.680 107.680 104.785 2.895 19390 119 1 1 . 1 1 28 28 GLY CA C 28 45.241 45.241 44.719 0.522 19390 120 1 1 . 1 1 28 28 GLY H H 28 8.053 8.053 8.135 -0.082 19390 121 1 1 . 1 1 29 29 ASN N N 29 121.531 121.531 120.596 0.935 19390 122 1 1 . 1 1 29 29 ASN HA H 29 5.084 5.084 5.160 -0.076 19390 123 1 1 . 1 1 29 29 ASN CA C 29 51.422 51.422 50.461 0.961 19390 124 1 1 . 1 1 29 29 ASN CB C 29 38.385 38.385 38.306 0.079 19390 125 1 1 . 1 1 29 29 ASN H H 29 8.761 8.761 8.382 0.379 19390 126 1 1 . 1 1 30 30 PRO HA H 30 5.220 5.220 5.085 0.135 19390 127 1 1 . 1 1 30 30 PRO CA C 30 62.660 62.660 63.080 -0.420 19390 128 1 1 . 1 1 30 30 PRO CB C 30 32.898 32.898 32.556 0.342 19390 129 1 1 . 1 1 31 31 SER N N 31 116.249 116.249 116.985 -0.736 19390 130 1 1 . 1 1 31 31 SER HA H 31 4.675 4.675 4.968 -0.293 19390 131 1 1 . 1 1 31 31 SER CA C 31 57.027 57.027 58.023 -0.996 19390 132 1 1 . 1 1 31 31 SER CB C 31 65.495 65.495 65.338 0.157 19390 133 1 1 . 1 1 31 31 SER H H 31 8.859 8.859 8.999 -0.140 19390 134 1 1 . 1 1 32 32 LEU N N 32 123.992 123.992 124.422 -0.430 19390 135 1 1 . 1 1 32 32 LEU HA H 32 4.910 4.910 4.994 -0.084 19390 136 1 1 . 1 1 32 32 LEU CA C 32 54.226 54.226 53.780 0.446 19390 137 1 1 . 1 1 32 32 LEU CB C 32 44.693 44.693 45.258 -0.565 19390 138 1 1 . 1 1 32 32 LEU H H 32 7.566 7.566 8.447 -0.881 19390 139 1 1 . 1 1 33 33 SER N N 33 120.489 120.489 123.248 -2.759 19390 140 1 1 . 1 1 33 33 SER HA H 33 4.750 4.750 4.871 -0.121 19390 141 1 1 . 1 1 33 33 SER CA C 33 57.236 57.236 57.294 -0.058 19390 142 1 1 . 1 1 33 33 SER CB C 33 65.138 65.138 65.376 -0.239 19390 143 1 1 . 1 1 33 33 SER H H 33 8.723 8.723 8.974 -0.251 19390 144 1 1 . 1 1 34 34 VAL N N 34 124.737 124.737 126.327 -1.590 19390 145 1 1 . 1 1 34 34 VAL HA H 34 5.290 5.290 5.441 -0.151 19390 146 1 1 . 1 1 34 34 VAL CA C 34 61.163 61.163 60.694 0.469 19390 147 1 1 . 1 1 34 34 VAL CB C 34 33.901 33.901 34.462 -0.561 19390 148 1 1 . 1 1 34 34 VAL H H 34 8.296 8.296 8.559 -0.263 19390 149 1 1 . 1 1 35 35 ILE N N 35 125.451 125.451 126.777 -1.326 19390 150 1 1 . 1 1 35 35 ILE HA H 35 5.040 5.040 4.818 0.222 19390 151 1 1 . 1 1 35 35 ILE CA C 35 57.790 57.790 57.852 -0.062 19390 152 1 1 . 1 1 35 35 ILE CB C 35 42.244 42.244 40.856 1.388 19390 153 1 1 . 1 1 35 35 ILE H H 35 8.920 8.920 8.967 -0.047 19390 154 1 1 . 1 1 36 36 PRO HA H 36 4.117 4.117 4.313 -0.196 19390 155 1 1 . 1 1 36 36 PRO CA C 36 63.249 63.249 62.486 0.763 19390 156 1 1 . 1 1 36 36 PRO CB C 36 32.044 32.044 31.706 0.338 19390 157 1 1 . 1 1 37 37 SER N N 37 116.872 116.872 118.225 -1.353 19390 158 1 1 . 1 1 37 37 SER HA H 37 3.672 3.672 4.240 -0.568 19390 159 1 1 . 1 1 37 37 SER CA C 37 60.172 60.172 60.228 -0.056 19390 160 1 1 . 1 1 37 37 SER CB C 37 63.252 63.252 63.560 -0.308 19390 161 1 1 . 1 1 37 37 SER H H 37 7.847 7.847 8.603 -0.756 19390 162 1 1 . 1 1 38 38 ASN N N 38 117.181 117.181 118.491 -1.310 19390 163 1 1 . 1 1 38 38 ASN HA H 38 5.087 5.087 5.196 -0.109 19390 164 1 1 . 1 1 38 38 ASN CA C 38 50.363 50.363 50.784 -0.421 19390 165 1 1 . 1 1 38 38 ASN CB C 38 39.385 39.385 39.980 -0.595 19390 166 1 1 . 1 1 38 38 ASN H H 38 7.951 7.951 7.768 0.183 19390 167 1 1 . 1 1 39 39 PRO HA H 39 4.227 4.227 4.345 -0.118 19390 168 1 1 . 1 1 39 39 PRO CA C 39 64.374 64.374 64.326 0.048 19390 169 1 1 . 1 1 39 39 PRO CB C 39 32.088 32.088 31.884 0.204 19390 170 1 1 . 1 1 40 40 TYR N N 40 118.056 118.056 117.063 0.993 19390 171 1 1 . 1 1 40 40 TYR HA H 40 4.509 4.509 4.627 -0.118 19390 172 1 1 . 1 1 40 40 TYR CA C 40 58.814 58.814 60.504 -1.690 19390 173 1 1 . 1 1 40 40 TYR CB C 40 37.907 37.907 37.356 0.551 19390 174 1 1 . 1 1 40 40 TYR H H 40 7.818 7.818 8.025 -0.207 19390 175 1 1 . 1 1 41 41 GLN N N 41 118.923 118.923 118.264 0.659 19390 176 1 1 . 1 1 41 41 GLN HA H 41 4.085 4.085 4.067 0.018 19390 177 1 1 . 1 1 41 41 GLN CA C 41 56.997 56.997 58.066 -1.069 19390 178 1 1 . 1 1 41 41 GLN CB C 41 29.359 29.359 27.716 1.643 19390 179 1 1 . 1 1 41 41 GLN H H 41 7.537 7.537 7.803 -0.266 19390 180 1 1 . 1 1 42 42 GLU N N 42 121.556 121.556 117.738 3.818 19390 181 1 1 . 1 1 42 42 GLU HA H 42 3.983 3.983 4.362 -0.379 19390 182 1 1 . 1 1 42 42 GLU CA C 42 58.700 58.700 58.868 -0.168 19390 183 1 1 . 1 1 42 42 GLU CB C 42 29.600 29.600 29.498 0.102 19390 184 1 1 . 1 1 42 42 GLU H H 42 8.294 8.294 7.890 0.404 19390 185 1 1 . 1 1 43 43 GLN N N 43 117.353 117.353 117.079 0.274 19390 186 1 1 . 1 1 43 43 GLN HA H 43 4.266 4.266 4.240 0.026 19390 187 1 1 . 1 1 43 43 GLN CA C 43 56.668 56.668 57.787 -1.119 19390 188 1 1 . 1 1 43 43 GLN CB C 43 29.038 29.038 29.444 -0.406 19390 189 1 1 . 1 1 43 43 GLN H H 43 7.898 7.898 7.303 0.595 19390 190 1 1 . 1 1 44 44 LEU N N 44 120.635 120.635 122.918 -2.283 19390 191 1 1 . 1 1 44 44 LEU HA H 44 4.365 4.365 4.493 -0.128 19390 192 1 1 . 1 1 44 44 LEU CA C 44 54.935 54.935 53.556 1.379 19390 193 1 1 . 1 1 44 44 LEU CB C 44 42.453 42.453 40.902 1.551 19390 194 1 1 . 1 1 44 44 LEU H H 44 7.613 7.613 8.136 -0.523 19390 195 1 1 . 1 1 45 45 SER N N 45 114.883 114.883 117.539 -2.656 19390 196 1 1 . 1 1 45 45 SER HA H 45 4.273 4.273 4.405 -0.132 19390 197 1 1 . 1 1 45 45 SER CA C 45 59.272 59.272 56.768 2.504 19390 198 1 1 . 1 1 45 45 SER CB C 45 63.636 63.636 62.535 1.101 19390 199 1 1 . 1 1 45 45 SER H H 45 7.696 7.696 8.071 -0.375 19390 200 1 1 . 1 1 46 46 ASP N N 46 122.467 122.467 121.447 1.020 19390 201 1 1 . 1 1 46 46 ASP HA H 46 4.762 4.762 4.617 0.145 19390 202 1 1 . 1 1 46 46 ASP CA C 46 53.897 53.897 55.179 -1.282 19390 203 1 1 . 1 1 46 46 ASP CB C 46 41.083 41.083 41.051 0.032 19390 204 1 1 . 1 1 46 46 ASP H H 46 8.352 8.352 8.097 0.255 19390 205 1 1 . 1 1 47 47 THR N N 47 113.208 113.208 114.413 -1.205 19390 206 1 1 . 1 1 47 47 THR HA H 47 4.708 4.708 4.750 -0.042 19390 207 1 1 . 1 1 47 47 THR CA C 47 59.767 59.767 59.219 0.548 19390 208 1 1 . 1 1 47 47 THR CB C 47 69.342 69.342 69.772 -0.430 19390 209 1 1 . 1 1 47 47 THR H H 47 7.696 7.696 7.588 0.108 19390 210 1 1 . 1 1 48 48 PRO HA H 48 4.459 4.459 4.615 -0.156 19390 211 1 1 . 1 1 48 48 PRO CA C 48 63.397 63.397 62.439 0.958 19390 212 1 1 . 1 1 48 48 PRO CB C 48 32.484 32.484 32.846 -0.362 19390 213 1 1 . 1 1 49 49 LEU N N 49 121.960 121.960 123.539 -1.579 19390 214 1 1 . 1 1 49 49 LEU HA H 49 4.346 4.346 4.734 -0.388 19390 215 1 1 . 1 1 49 49 LEU CA C 49 54.134 54.134 53.957 0.177 19390 216 1 1 . 1 1 49 49 LEU CB C 49 43.308 43.308 42.901 0.407 19390 217 1 1 . 1 1 49 49 LEU H H 49 8.114 8.114 8.340 -0.226 19390 218 1 1 . 1 1 50 50 ILE N N 50 126.325 126.325 125.737 0.588 19390 219 1 1 . 1 1 50 50 ILE HA H 50 4.485 4.485 4.522 -0.037 19390 220 1 1 . 1 1 50 50 ILE CA C 50 58.184 58.184 58.287 -0.103 19390 221 1 1 . 1 1 50 50 ILE CB C 50 40.050 40.050 39.343 0.707 19390 222 1 1 . 1 1 50 50 ILE H H 50 9.351 9.351 8.935 0.416 19390 223 1 1 . 1 1 51 51 PRO HA H 51 4.940 4.940 4.798 0.142 19390 224 1 1 . 1 1 51 51 PRO CA C 51 61.995 61.995 62.086 -0.091 19390 225 1 1 . 1 1 51 51 PRO CB C 51 32.280 32.280 32.177 0.103 19390 226 1 1 . 1 1 52 52 LEU N N 52 121.794 121.794 126.531 -4.737 19390 227 1 1 . 1 1 52 52 LEU HA H 52 5.265 5.265 4.553 0.712 19390 228 1 1 . 1 1 52 52 LEU CA C 52 54.361 54.361 54.591 -0.230 19390 229 1 1 . 1 1 52 52 LEU CB C 52 46.108 46.108 45.525 0.583 19390 230 1 1 . 1 1 52 52 LEU H H 52 8.875 8.875 8.923 -0.048 19390 231 1 1 . 1 1 53 53 THR N N 53 118.726 118.726 120.115 -1.389 19390 232 1 1 . 1 1 53 53 THR HA H 53 4.922 4.922 4.936 -0.014 19390 233 1 1 . 1 1 53 53 THR CA C 53 62.427 62.427 61.897 0.530 19390 234 1 1 . 1 1 53 53 THR CB C 53 70.731 70.731 69.418 1.313 19390 235 1 1 . 1 1 53 53 THR H H 53 8.827 8.827 8.427 0.400 19390 236 1 1 . 1 1 54 54 ILE N N 54 125.500 125.500 128.119 -2.619 19390 237 1 1 . 1 1 54 54 ILE HA H 54 4.962 4.962 4.446 0.516 19390 238 1 1 . 1 1 54 54 ILE CA C 54 60.527 60.527 60.519 0.008 19390 239 1 1 . 1 1 54 54 ILE CB C 54 40.830 40.830 39.779 1.051 19390 240 1 1 . 1 1 54 54 ILE H H 54 9.116 9.116 9.030 0.086 19390 241 1 1 . 1 1 55 55 PHE N N 55 126.244 126.244 126.663 -0.419 19390 242 1 1 . 1 1 55 55 PHE HA H 55 5.386 5.386 5.388 -0.002 19390 243 1 1 . 1 1 55 55 PHE CA C 55 55.759 55.759 56.584 -0.825 19390 244 1 1 . 1 1 55 55 PHE CB C 55 41.193 41.193 40.927 0.266 19390 245 1 1 . 1 1 55 55 PHE H H 55 9.348 9.348 8.857 0.491 19390 246 1 1 . 1 1 56 56 VAL N N 56 123.920 123.920 124.600 -0.680 19390 247 1 1 . 1 1 56 56 VAL HA H 56 4.614 4.614 4.206 0.408 19390 248 1 1 . 1 1 56 56 VAL CA C 56 62.066 62.066 62.490 -0.424 19390 249 1 1 . 1 1 56 56 VAL CB C 56 32.730 32.730 32.911 -0.181 19390 250 1 1 . 1 1 56 56 VAL H H 56 8.424 8.424 8.697 -0.273 19390 251 1 1 . 1 1 57 57 GLY N N 57 113.280 113.280 114.116 -0.836 19390 252 1 1 . 1 1 57 57 GLY CA C 57 44.513 44.513 44.177 0.336 19390 253 1 1 . 1 1 57 57 GLY H H 57 8.483 8.483 8.416 0.067 19390 254 1 1 . 1 1 58 58 GLU N N 58 118.539 118.539 120.184 -1.645 19390 255 1 1 . 1 1 58 58 GLU HA H 58 4.412 4.412 4.297 0.115 19390 256 1 1 . 1 1 58 58 GLU CA C 58 56.298 56.298 55.737 0.561 19390 257 1 1 . 1 1 58 58 GLU CB C 58 31.404 31.404 30.186 1.218 19390 258 1 1 . 1 1 58 58 GLU H H 58 8.283 8.283 8.611 -0.328 19390 259 1 1 . 1 1 59 59 ASN N N 59 120.870 120.870 126.912 -6.042 19390 260 1 1 . 1 1 59 59 ASN HA H 59 4.852 4.852 4.720 0.132 19390 261 1 1 . 1 1 59 59 ASN CA C 59 53.120 53.120 53.074 0.046 19390 262 1 1 . 1 1 59 59 ASN CB C 59 39.150 39.150 37.589 1.562 19390 263 1 1 . 1 1 59 59 ASN H H 59 8.530 8.530 9.010 -0.480 19390 264 1 1 . 1 1 60 60 THR N N 60 114.187 114.187 116.899 -2.712 19390 265 1 1 . 1 1 60 60 THR HA H 60 4.358 4.358 4.363 -0.005 19390 266 1 1 . 1 1 60 60 THR CA C 60 62.086 62.086 63.549 -1.463 19390 267 1 1 . 1 1 60 60 THR CB C 60 69.713 69.713 69.301 0.412 19390 268 1 1 . 1 1 60 60 THR H H 60 8.161 8.161 8.051 0.110 19390 269 1 1 . 1 1 61 61 GLY N N 61 111.003 111.003 109.942 1.061 19390 270 1 1 . 1 1 61 61 GLY CA C 61 45.690 45.690 44.289 1.401 19390 271 1 1 . 1 1 61 61 GLY H H 61 8.280 8.280 8.116 0.164 19390 272 1 2 . 1 1 2 2 ALA HA H 2 4.391 4.391 4.506 -0.115 19390 273 1 2 . 1 1 2 2 ALA CA C 2 52.919 52.919 52.594 0.325 19390 274 1 2 . 1 1 2 2 ALA CB C 2 19.616 19.616 19.800 -0.184 19390 275 1 2 . 1 1 3 3 MET HA H 3 4.488 4.488 4.350 0.138 19390 276 1 2 . 1 1 3 3 MET CA C 3 55.738 55.738 56.163 -0.425 19390 277 1 2 . 1 1 4 4 GLU N N 4 121.531 121.531 118.748 2.783 19390 278 1 2 . 1 1 4 4 GLU HA H 4 4.365 4.365 4.429 -0.064 19390 279 1 2 . 1 1 4 4 GLU CA C 4 56.625 56.625 56.591 0.034 19390 280 1 2 . 1 1 4 4 GLU CB C 4 30.398 30.398 29.361 1.037 19390 281 1 2 . 1 1 4 4 GLU H H 4 8.288 8.288 8.657 -0.369 19390 282 1 2 . 1 1 5 5 MET N N 5 121.777 121.777 118.445 3.332 19390 283 1 2 . 1 1 5 5 MET HA H 5 4.877 4.877 5.023 -0.146 19390 284 1 2 . 1 1 5 5 MET CA C 5 53.509 53.509 52.424 1.085 19390 285 1 2 . 1 1 5 5 MET CB C 5 33.467 33.467 32.637 0.830 19390 286 1 2 . 1 1 5 5 MET H H 5 8.139 8.139 7.404 0.735 19390 287 1 2 . 1 1 6 6 PRO HA H 6 4.335 4.335 4.195 0.140 19390 288 1 2 . 1 1 6 6 PRO CA C 6 63.752 63.752 63.629 0.123 19390 289 1 2 . 1 1 6 6 PRO CB C 6 31.890 31.890 31.599 0.291 19390 290 1 2 . 1 1 7 7 THR N N 7 117.518 117.518 117.901 -0.383 19390 291 1 2 . 1 1 7 7 THR HA H 7 4.882 4.882 4.797 0.085 19390 292 1 2 . 1 1 7 7 THR CA C 7 61.507 61.507 61.317 0.190 19390 293 1 2 . 1 1 7 7 THR CB C 7 71.440 71.440 70.850 0.590 19390 294 1 2 . 1 1 7 7 THR H H 7 7.598 7.598 7.741 -0.143 19390 295 1 2 . 1 1 8 8 PHE N N 8 123.123 123.123 124.827 -1.704 19390 296 1 2 . 1 1 8 8 PHE HA H 8 4.688 4.688 4.762 -0.074 19390 297 1 2 . 1 1 8 8 PHE CA C 8 56.645 56.645 56.735 -0.090 19390 298 1 2 . 1 1 8 8 PHE CB C 8 42.383 42.383 43.057 -0.674 19390 299 1 2 . 1 1 8 8 PHE H H 8 8.939 8.939 9.113 -0.174 19390 300 1 2 . 1 1 9 9 TYR N N 9 122.356 122.356 124.696 -2.340 19390 301 1 2 . 1 1 9 9 TYR HA H 9 5.334 5.334 5.364 -0.030 19390 302 1 2 . 1 1 9 9 TYR CA C 9 56.921 56.921 56.735 0.186 19390 303 1 2 . 1 1 9 9 TYR CB C 9 40.008 40.008 40.474 -0.466 19390 304 1 2 . 1 1 9 9 TYR H H 9 8.503 8.503 8.475 0.028 19390 305 1 2 . 1 1 10 10 LEU N N 10 124.441 124.441 124.270 0.171 19390 306 1 2 . 1 1 10 10 LEU HA H 10 4.687 4.687 5.045 -0.358 19390 307 1 2 . 1 1 10 10 LEU CA C 10 53.736 53.736 52.922 0.814 19390 308 1 2 . 1 1 10 10 LEU CB C 10 46.193 46.193 46.068 0.125 19390 309 1 2 . 1 1 10 10 LEU H H 10 8.716 8.716 8.606 0.110 19390 310 1 2 . 1 1 11 11 ALA N N 11 123.556 123.556 122.818 0.738 19390 311 1 2 . 1 1 11 11 ALA HA H 11 4.906 4.906 5.370 -0.464 19390 312 1 2 . 1 1 11 11 ALA CA C 11 51.631 51.631 50.956 0.675 19390 313 1 2 . 1 1 11 11 ALA CB C 11 20.073 20.073 20.606 -0.533 19390 314 1 2 . 1 1 11 11 ALA H H 11 8.104 8.104 8.221 -0.117 19390 315 1 2 . 1 1 12 12 LEU N N 12 121.796 121.796 123.911 -2.115 19390 316 1 2 . 1 1 12 12 LEU HA H 12 4.502 4.502 4.349 0.153 19390 317 1 2 . 1 1 12 12 LEU CA C 12 53.050 53.050 53.377 -0.327 19390 318 1 2 . 1 1 12 12 LEU CB C 12 43.624 43.624 45.583 -1.958 19390 319 1 2 . 1 1 12 12 LEU H H 12 8.004 8.004 8.719 -0.715 19390 320 1 2 . 1 1 13 13 HIS N N 13 118.912 118.912 121.202 -2.290 19390 321 1 2 . 1 1 13 13 HIS HA H 13 4.758 4.758 4.928 -0.170 19390 322 1 2 . 1 1 13 13 HIS CA C 13 56.865 56.865 56.478 0.387 19390 323 1 2 . 1 1 13 13 HIS CB C 13 29.731 29.731 30.280 -0.549 19390 324 1 2 . 1 1 13 13 HIS H H 13 8.659 8.659 8.890 -0.231 19390 325 1 2 . 1 1 14 14 GLY N N 14 111.509 111.509 113.016 -1.507 19390 326 1 2 . 1 1 14 14 GLY CA C 14 46.332 46.332 46.524 -0.192 19390 327 1 2 . 1 1 14 14 GLY H H 14 8.880 8.880 8.762 0.118 19390 328 1 2 . 1 1 15 15 GLY N N 15 111.541 111.541 114.240 -2.699 19390 329 1 2 . 1 1 15 15 GLY CA C 15 46.391 46.391 44.794 1.597 19390 330 1 2 . 1 1 15 15 GLY H H 15 9.276 9.276 8.189 1.087 19390 331 1 2 . 1 1 16 16 GLN N N 16 118.322 118.322 120.316 -1.994 19390 332 1 2 . 1 1 16 16 GLN HA H 16 4.499 4.499 4.601 -0.102 19390 333 1 2 . 1 1 16 16 GLN CA C 16 54.139 54.139 54.205 -0.066 19390 334 1 2 . 1 1 16 16 GLN CB C 16 30.522 30.522 29.896 0.626 19390 335 1 2 . 1 1 16 16 GLN H H 16 7.376 7.376 8.226 -0.850 19390 336 1 2 . 1 1 17 17 THR N N 17 117.250 117.250 117.756 -0.506 19390 337 1 2 . 1 1 17 17 THR HA H 17 4.662 4.662 4.575 0.087 19390 338 1 2 . 1 1 17 17 THR CA C 17 63.671 63.671 61.660 2.011 19390 339 1 2 . 1 1 17 17 THR CB C 17 68.939 68.939 69.561 -0.622 19390 340 1 2 . 1 1 17 17 THR H H 17 8.379 8.379 8.419 -0.040 19390 341 1 2 . 1 1 18 18 TYR N N 18 127.800 127.800 123.073 4.727 19390 342 1 2 . 1 1 18 18 TYR HA H 18 4.737 4.737 5.057 -0.320 19390 343 1 2 . 1 1 18 18 TYR CA C 18 57.312 57.312 56.900 0.412 19390 344 1 2 . 1 1 18 18 TYR CB C 18 41.411 41.411 42.804 -1.393 19390 345 1 2 . 1 1 18 18 TYR H H 18 9.556 9.556 8.672 0.884 19390 346 1 2 . 1 1 19 19 HIS N N 19 121.884 121.884 121.848 0.036 19390 347 1 2 . 1 1 19 19 HIS HA H 19 5.579 5.579 4.754 0.825 19390 348 1 2 . 1 1 19 19 HIS CA C 19 54.290 54.290 55.291 -1.001 19390 349 1 2 . 1 1 19 19 HIS CB C 19 31.704 31.704 31.359 0.345 19390 350 1 2 . 1 1 19 19 HIS H H 19 9.676 9.676 9.361 0.315 19390 351 1 2 . 1 1 20 20 LEU N N 20 127.685 127.685 128.430 -0.745 19390 352 1 2 . 1 1 20 20 LEU HA H 20 5.434 5.434 5.210 0.224 19390 353 1 2 . 1 1 20 20 LEU CA C 20 54.056 54.056 54.082 -0.026 19390 354 1 2 . 1 1 20 20 LEU CB C 20 45.997 45.997 43.610 2.387 19390 355 1 2 . 1 1 20 20 LEU H H 20 9.590 9.590 8.670 0.920 19390 356 1 2 . 1 1 21 21 ILE N N 21 125.555 125.555 129.500 -3.945 19390 357 1 2 . 1 1 21 21 ILE HA H 21 4.642 4.642 4.421 0.221 19390 358 1 2 . 1 1 21 21 ILE CA C 21 61.529 61.529 60.623 0.906 19390 359 1 2 . 1 1 21 21 ILE CB C 21 42.522 42.522 41.320 1.202 19390 360 1 2 . 1 1 21 21 ILE H H 21 8.791 8.791 9.071 -0.280 19390 361 1 2 . 1 1 22 22 VAL N N 22 128.302 128.302 127.574 0.728 19390 362 1 2 . 1 1 22 22 VAL HA H 22 5.014 5.014 5.110 -0.096 19390 363 1 2 . 1 1 22 22 VAL CA C 22 59.804 59.804 60.082 -0.278 19390 364 1 2 . 1 1 22 22 VAL CB C 22 33.977 33.977 34.295 -0.318 19390 365 1 2 . 1 1 22 22 VAL H H 22 9.741 9.741 8.300 1.441 19390 366 1 2 . 1 1 23 23 ASP N N 23 126.317 126.317 127.783 -1.466 19390 367 1 2 . 1 1 23 23 ASP HA H 23 4.958 4.958 5.139 -0.181 19390 368 1 2 . 1 1 23 23 ASP CA C 23 52.823 52.823 52.661 0.162 19390 369 1 2 . 1 1 23 23 ASP CB C 23 44.752 44.752 44.826 -0.074 19390 370 1 2 . 1 1 23 23 ASP H H 23 8.595 8.595 8.867 -0.272 19390 371 1 2 . 1 1 24 24 THR N N 24 111.217 111.217 113.245 -2.028 19390 372 1 2 . 1 1 24 24 THR HA H 24 5.053 5.053 5.321 -0.268 19390 373 1 2 . 1 1 24 24 THR CA C 24 60.370 60.370 60.084 0.285 19390 374 1 2 . 1 1 24 24 THR CB C 24 71.606 71.606 71.703 -0.097 19390 375 1 2 . 1 1 24 24 THR H H 24 8.769 8.769 8.199 0.570 19390 376 1 2 . 1 1 25 25 ASP N N 25 122.678 122.678 125.139 -2.461 19390 377 1 2 . 1 1 25 25 ASP HA H 25 4.815 4.815 4.765 0.050 19390 378 1 2 . 1 1 25 25 ASP CA C 25 52.701 52.701 52.978 -0.277 19390 379 1 2 . 1 1 25 25 ASP CB C 25 41.548 41.548 42.044 -0.496 19390 380 1 2 . 1 1 25 25 ASP H H 25 8.351 8.351 8.764 -0.413 19390 381 1 2 . 1 1 26 26 SER HA H 26 4.273 4.273 4.242 0.031 19390 382 1 2 . 1 1 26 26 SER CA C 26 61.172 61.172 60.536 0.636 19390 383 1 2 . 1 1 26 26 SER CB C 26 63.171 63.171 63.053 0.118 19390 384 1 2 . 1 1 27 27 LEU N N 27 121.798 121.798 119.618 2.180 19390 385 1 2 . 1 1 27 27 LEU HA H 27 4.530 4.530 4.348 0.182 19390 386 1 2 . 1 1 27 27 LEU CA C 27 54.639 54.639 55.049 -0.410 19390 387 1 2 . 1 1 27 27 LEU CB C 27 42.333 42.333 42.568 -0.235 19390 388 1 2 . 1 1 27 27 LEU H H 27 8.031 8.031 7.935 0.096 19390 389 1 2 . 1 1 28 28 GLY N N 28 107.680 107.680 104.977 2.703 19390 390 1 2 . 1 1 28 28 GLY CA C 28 45.241 45.241 44.478 0.763 19390 391 1 2 . 1 1 28 28 GLY H H 28 8.053 8.053 7.783 0.270 19390 392 1 2 . 1 1 29 29 ASN N N 29 121.531 121.531 120.484 1.047 19390 393 1 2 . 1 1 29 29 ASN HA H 29 5.084 5.084 5.150 -0.066 19390 394 1 2 . 1 1 29 29 ASN CA C 29 51.422 51.422 51.872 -0.450 19390 395 1 2 . 1 1 29 29 ASN CB C 29 38.385 38.385 39.419 -1.034 19390 396 1 2 . 1 1 29 29 ASN H H 29 8.761 8.761 9.082 -0.321 19390 397 1 2 . 1 1 30 30 PRO HA H 30 5.220 5.220 5.382 -0.162 19390 398 1 2 . 1 1 30 30 PRO CA C 30 62.660 62.660 62.238 0.422 19390 399 1 2 . 1 1 30 30 PRO CB C 30 32.898 32.898 32.745 0.153 19390 400 1 2 . 1 1 31 31 SER N N 31 116.249 116.249 118.022 -1.773 19390 401 1 2 . 1 1 31 31 SER HA H 31 4.675 4.675 4.912 -0.237 19390 402 1 2 . 1 1 31 31 SER CA C 31 57.027 57.027 56.719 0.308 19390 403 1 2 . 1 1 31 31 SER CB C 31 65.495 65.495 65.064 0.431 19390 404 1 2 . 1 1 31 31 SER H H 31 8.859 8.859 8.964 -0.105 19390 405 1 2 . 1 1 32 32 LEU N N 32 123.992 123.992 126.387 -2.395 19390 406 1 2 . 1 1 32 32 LEU HA H 32 4.910 4.910 4.944 -0.034 19390 407 1 2 . 1 1 32 32 LEU CA C 32 54.226 54.226 53.620 0.606 19390 408 1 2 . 1 1 32 32 LEU CB C 32 44.693 44.693 44.834 -0.141 19390 409 1 2 . 1 1 32 32 LEU H H 32 7.566 7.566 8.518 -0.952 19390 410 1 2 . 1 1 33 33 SER N N 33 120.489 120.489 123.268 -2.779 19390 411 1 2 . 1 1 33 33 SER HA H 33 4.750 4.750 4.794 -0.044 19390 412 1 2 . 1 1 33 33 SER CA C 33 57.236 57.236 56.759 0.477 19390 413 1 2 . 1 1 33 33 SER CB C 33 65.138 65.138 65.007 0.131 19390 414 1 2 . 1 1 33 33 SER H H 33 8.723 8.723 9.195 -0.472 19390 415 1 2 . 1 1 34 34 VAL N N 34 124.737 124.737 126.493 -1.756 19390 416 1 2 . 1 1 34 34 VAL HA H 34 5.290 5.290 5.470 -0.180 19390 417 1 2 . 1 1 34 34 VAL CA C 34 61.163 61.163 60.814 0.349 19390 418 1 2 . 1 1 34 34 VAL CB C 34 33.901 33.901 34.220 -0.319 19390 419 1 2 . 1 1 34 34 VAL H H 34 8.296 8.296 8.583 -0.287 19390 420 1 2 . 1 1 35 35 ILE N N 35 125.451 125.451 127.031 -1.580 19390 421 1 2 . 1 1 35 35 ILE HA H 35 5.040 5.040 4.784 0.256 19390 422 1 2 . 1 1 35 35 ILE CA C 35 57.790 57.790 57.940 -0.150 19390 423 1 2 . 1 1 35 35 ILE CB C 35 42.244 42.244 41.126 1.118 19390 424 1 2 . 1 1 35 35 ILE H H 35 8.920 8.920 8.849 0.071 19390 425 1 2 . 1 1 36 36 PRO HA H 36 4.117 4.117 4.473 -0.356 19390 426 1 2 . 1 1 36 36 PRO CA C 36 63.249 63.249 62.439 0.810 19390 427 1 2 . 1 1 36 36 PRO CB C 36 32.044 32.044 31.854 0.190 19390 428 1 2 . 1 1 37 37 SER N N 37 116.872 116.872 119.409 -2.537 19390 429 1 2 . 1 1 37 37 SER HA H 37 3.672 3.672 4.237 -0.565 19390 430 1 2 . 1 1 37 37 SER CA C 37 60.172 60.172 60.250 -0.078 19390 431 1 2 . 1 1 37 37 SER CB C 37 63.252 63.252 63.621 -0.369 19390 432 1 2 . 1 1 37 37 SER H H 37 7.847 7.847 8.703 -0.856 19390 433 1 2 . 1 1 38 38 ASN N N 38 117.181 117.181 117.147 0.034 19390 434 1 2 . 1 1 38 38 ASN HA H 38 5.087 5.087 5.199 -0.112 19390 435 1 2 . 1 1 38 38 ASN CA C 38 50.363 50.363 50.386 -0.023 19390 436 1 2 . 1 1 38 38 ASN CB C 38 39.385 39.385 38.411 0.974 19390 437 1 2 . 1 1 38 38 ASN H H 38 7.951 7.951 7.812 0.139 19390 438 1 2 . 1 1 39 39 PRO HA H 39 4.227 4.227 4.348 -0.121 19390 439 1 2 . 1 1 39 39 PRO CA C 39 64.374 64.374 64.055 0.319 19390 440 1 2 . 1 1 39 39 PRO CB C 39 32.088 32.088 31.648 0.440 19390 441 1 2 . 1 1 40 40 TYR N N 40 118.056 118.056 118.574 -0.518 19390 442 1 2 . 1 1 40 40 TYR HA H 40 4.509 4.509 4.251 0.258 19390 443 1 2 . 1 1 40 40 TYR CA C 40 58.814 58.814 61.588 -2.774 19390 444 1 2 . 1 1 40 40 TYR CB C 40 37.907 37.907 37.586 0.321 19390 445 1 2 . 1 1 40 40 TYR H H 40 7.818 7.818 8.042 -0.224 19390 446 1 2 . 1 1 41 41 GLN N N 41 118.923 118.923 116.930 1.993 19390 447 1 2 . 1 1 41 41 GLN HA H 41 4.085 4.085 4.085 0.000 19390 448 1 2 . 1 1 41 41 GLN CA C 41 56.997 56.997 57.876 -0.879 19390 449 1 2 . 1 1 41 41 GLN CB C 41 29.359 29.359 28.068 1.291 19390 450 1 2 . 1 1 41 41 GLN H H 41 7.537 7.537 7.770 -0.233 19390 451 1 2 . 1 1 42 42 GLU N N 42 121.556 121.556 118.636 2.920 19390 452 1 2 . 1 1 42 42 GLU HA H 42 3.983 3.983 4.149 -0.166 19390 453 1 2 . 1 1 42 42 GLU CA C 42 58.700 58.700 58.757 -0.057 19390 454 1 2 . 1 1 42 42 GLU CB C 42 29.600 29.600 29.434 0.166 19390 455 1 2 . 1 1 42 42 GLU H H 42 8.294 8.294 7.644 0.650 19390 456 1 2 . 1 1 43 43 GLN N N 43 117.353 117.353 117.165 0.188 19390 457 1 2 . 1 1 43 43 GLN HA H 43 4.266 4.266 4.233 0.033 19390 458 1 2 . 1 1 43 43 GLN CA C 43 56.668 56.668 58.031 -1.363 19390 459 1 2 . 1 1 43 43 GLN CB C 43 29.038 29.038 29.176 -0.138 19390 460 1 2 . 1 1 43 43 GLN H H 43 7.898 7.898 7.795 0.103 19390 461 1 2 . 1 1 44 44 LEU N N 44 120.635 120.635 123.779 -3.144 19390 462 1 2 . 1 1 44 44 LEU HA H 44 4.365 4.365 4.586 -0.221 19390 463 1 2 . 1 1 44 44 LEU CA C 44 54.935 54.935 52.938 1.997 19390 464 1 2 . 1 1 44 44 LEU CB C 44 42.453 42.453 40.929 1.524 19390 465 1 2 . 1 1 44 44 LEU H H 44 7.613 7.613 7.941 -0.328 19390 466 1 2 . 1 1 45 45 SER N N 45 114.883 114.883 115.780 -0.897 19390 467 1 2 . 1 1 45 45 SER HA H 45 4.273 4.273 4.347 -0.074 19390 468 1 2 . 1 1 45 45 SER CA C 45 59.272 59.272 57.565 1.708 19390 469 1 2 . 1 1 45 45 SER CB C 45 63.636 63.636 62.767 0.869 19390 470 1 2 . 1 1 45 45 SER H H 45 7.696 7.696 7.693 0.003 19390 471 1 2 . 1 1 46 46 ASP N N 46 122.467 122.467 124.196 -1.729 19390 472 1 2 . 1 1 46 46 ASP HA H 46 4.762 4.762 4.578 0.184 19390 473 1 2 . 1 1 46 46 ASP CA C 46 53.897 53.897 55.309 -1.412 19390 474 1 2 . 1 1 46 46 ASP CB C 46 41.083 41.083 41.104 -0.021 19390 475 1 2 . 1 1 46 46 ASP H H 46 8.352 8.352 8.327 0.025 19390 476 1 2 . 1 1 47 47 THR N N 47 113.208 113.208 113.798 -0.590 19390 477 1 2 . 1 1 47 47 THR HA H 47 4.708 4.708 4.755 -0.047 19390 478 1 2 . 1 1 47 47 THR CA C 47 59.767 59.767 58.823 0.944 19390 479 1 2 . 1 1 47 47 THR CB C 47 69.342 69.342 70.203 -0.861 19390 480 1 2 . 1 1 47 47 THR H H 47 7.696 7.696 7.585 0.111 19390 481 1 2 . 1 1 48 48 PRO HA H 48 4.459 4.459 4.621 -0.162 19390 482 1 2 . 1 1 48 48 PRO CA C 48 63.397 63.397 62.511 0.886 19390 483 1 2 . 1 1 48 48 PRO CB C 48 32.484 32.484 32.629 -0.145 19390 484 1 2 . 1 1 49 49 LEU N N 49 121.960 121.960 122.235 -0.275 19390 485 1 2 . 1 1 49 49 LEU HA H 49 4.346 4.346 4.526 -0.180 19390 486 1 2 . 1 1 49 49 LEU CA C 49 54.134 54.134 54.558 -0.424 19390 487 1 2 . 1 1 49 49 LEU CB C 49 43.308 43.308 42.586 0.722 19390 488 1 2 . 1 1 49 49 LEU H H 49 8.114 8.114 8.502 -0.388 19390 489 1 2 . 1 1 50 50 ILE N N 50 126.325 126.325 125.865 0.460 19390 490 1 2 . 1 1 50 50 ILE HA H 50 4.485 4.485 4.531 -0.046 19390 491 1 2 . 1 1 50 50 ILE CA C 50 58.184 58.184 58.345 -0.161 19390 492 1 2 . 1 1 50 50 ILE CB C 50 40.050 40.050 39.381 0.669 19390 493 1 2 . 1 1 50 50 ILE H H 50 9.351 9.351 9.058 0.293 19390 494 1 2 . 1 1 51 51 PRO HA H 51 4.940 4.940 4.807 0.133 19390 495 1 2 . 1 1 51 51 PRO CA C 51 61.995 61.995 62.337 -0.343 19390 496 1 2 . 1 1 51 51 PRO CB C 51 32.280 32.280 32.179 0.101 19390 497 1 2 . 1 1 52 52 LEU N N 52 121.794 121.794 126.830 -5.036 19390 498 1 2 . 1 1 52 52 LEU HA H 52 5.265 5.265 4.527 0.738 19390 499 1 2 . 1 1 52 52 LEU CA C 52 54.361 54.361 54.713 -0.352 19390 500 1 2 . 1 1 52 52 LEU CB C 52 46.108 46.108 45.647 0.461 19390 501 1 2 . 1 1 52 52 LEU H H 52 8.875 8.875 8.938 -0.063 19390 502 1 2 . 1 1 53 53 THR N N 53 118.726 118.726 119.898 -1.172 19390 503 1 2 . 1 1 53 53 THR HA H 53 4.922 4.922 4.781 0.141 19390 504 1 2 . 1 1 53 53 THR CA C 53 62.427 62.427 61.715 0.712 19390 505 1 2 . 1 1 53 53 THR CB C 53 70.731 70.731 69.378 1.353 19390 506 1 2 . 1 1 53 53 THR H H 53 8.827 8.827 8.301 0.526 19390 507 1 2 . 1 1 54 54 ILE N N 54 125.500 125.500 127.817 -2.317 19390 508 1 2 . 1 1 54 54 ILE HA H 54 4.962 4.962 4.408 0.554 19390 509 1 2 . 1 1 54 54 ILE CA C 54 60.527 60.527 60.416 0.111 19390 510 1 2 . 1 1 54 54 ILE CB C 54 40.830 40.830 40.102 0.728 19390 511 1 2 . 1 1 54 54 ILE H H 54 9.116 9.116 9.029 0.087 19390 512 1 2 . 1 1 55 55 PHE N N 55 126.244 126.244 126.339 -0.095 19390 513 1 2 . 1 1 55 55 PHE HA H 55 5.386 5.386 5.452 -0.066 19390 514 1 2 . 1 1 55 55 PHE CA C 55 55.759 55.759 56.660 -0.901 19390 515 1 2 . 1 1 55 55 PHE CB C 55 41.193 41.193 41.362 -0.169 19390 516 1 2 . 1 1 55 55 PHE H H 55 9.348 9.348 8.875 0.473 19390 517 1 2 . 1 1 56 56 VAL N N 56 123.920 123.920 125.485 -1.565 19390 518 1 2 . 1 1 56 56 VAL HA H 56 4.614 4.614 4.320 0.294 19390 519 1 2 . 1 1 56 56 VAL CA C 56 62.066 62.066 61.893 0.173 19390 520 1 2 . 1 1 56 56 VAL CB C 56 32.730 32.730 32.303 0.427 19390 521 1 2 . 1 1 56 56 VAL H H 56 8.424 8.424 8.817 -0.393 19390 522 1 2 . 1 1 57 57 GLY N N 57 113.280 113.280 115.943 -2.663 19390 523 1 2 . 1 1 57 57 GLY CA C 57 44.513 44.513 44.614 -0.101 19390 524 1 2 . 1 1 57 57 GLY H H 57 8.483 8.483 7.847 0.636 19390 525 1 2 . 1 1 58 58 GLU N N 58 118.539 118.539 121.490 -2.951 19390 526 1 2 . 1 1 58 58 GLU HA H 58 4.412 4.412 4.102 0.310 19390 527 1 2 . 1 1 58 58 GLU CA C 58 56.298 56.298 57.551 -1.253 19390 528 1 2 . 1 1 58 58 GLU CB C 58 31.404 31.404 29.916 1.488 19390 529 1 2 . 1 1 58 58 GLU H H 58 8.283 8.283 8.803 -0.520 19390 530 1 2 . 1 1 59 59 ASN N N 59 120.870 120.870 113.815 7.055 19390 531 1 2 . 1 1 59 59 ASN HA H 59 4.852 4.852 4.405 0.447 19390 532 1 2 . 1 1 59 59 ASN CA C 59 53.120 53.120 54.830 -1.710 19390 533 1 2 . 1 1 59 59 ASN CB C 59 39.150 39.150 37.880 1.270 19390 534 1 2 . 1 1 59 59 ASN H H 59 8.530 8.530 8.613 -0.083 19390 535 1 2 . 1 1 60 60 THR N N 60 114.187 114.187 110.391 3.796 19390 536 1 2 . 1 1 60 60 THR HA H 60 4.358 4.358 4.046 0.312 19390 537 1 2 . 1 1 60 60 THR CA C 60 62.086 62.086 63.695 -1.609 19390 538 1 2 . 1 1 60 60 THR CB C 60 69.713 69.713 68.154 1.559 19390 539 1 2 . 1 1 60 60 THR H H 60 8.161 8.161 8.179 -0.018 19390 540 1 2 . 1 1 61 61 GLY N N 61 111.003 111.003 112.031 -1.028 19390 541 1 2 . 1 1 61 61 GLY CA C 61 45.690 45.690 44.734 0.956 19390 542 1 2 . 1 1 61 61 GLY H H 61 8.280 8.280 7.937 0.343 19390 543 1 3 . 1 1 2 2 ALA HA H 2 4.391 4.391 3.887 0.504 19390 544 1 3 . 1 1 2 2 ALA CA C 2 52.919 52.919 54.357 -1.438 19390 545 1 3 . 1 1 2 2 ALA CB C 2 19.616 19.616 17.592 2.024 19390 546 1 3 . 1 1 3 3 MET HA H 3 4.488 4.488 4.543 -0.055 19390 547 1 3 . 1 1 3 3 MET CA C 3 55.738 55.738 56.395 -0.658 19390 548 1 3 . 1 1 4 4 GLU N N 4 121.531 121.531 121.115 0.416 19390 549 1 3 . 1 1 4 4 GLU HA H 4 4.365 4.365 4.643 -0.278 19390 550 1 3 . 1 1 4 4 GLU CA C 4 56.625 56.625 55.684 0.941 19390 551 1 3 . 1 1 4 4 GLU CB C 4 30.398 30.398 29.641 0.757 19390 552 1 3 . 1 1 4 4 GLU H H 4 8.288 8.288 8.055 0.233 19390 553 1 3 . 1 1 5 5 MET N N 5 121.777 121.777 121.556 0.221 19390 554 1 3 . 1 1 5 5 MET HA H 5 4.877 4.877 5.142 -0.265 19390 555 1 3 . 1 1 5 5 MET CA C 5 53.509 53.509 52.277 1.232 19390 556 1 3 . 1 1 5 5 MET CB C 5 33.467 33.467 33.442 0.025 19390 557 1 3 . 1 1 5 5 MET H H 5 8.139 8.139 8.333 -0.194 19390 558 1 3 . 1 1 6 6 PRO HA H 6 4.335 4.335 4.319 0.016 19390 559 1 3 . 1 1 6 6 PRO CA C 6 63.752 63.752 63.248 0.504 19390 560 1 3 . 1 1 6 6 PRO CB C 6 31.890 31.890 31.528 0.362 19390 561 1 3 . 1 1 7 7 THR N N 7 117.518 117.518 117.986 -0.468 19390 562 1 3 . 1 1 7 7 THR HA H 7 4.882 4.882 4.658 0.224 19390 563 1 3 . 1 1 7 7 THR CA C 7 61.507 61.507 61.105 0.402 19390 564 1 3 . 1 1 7 7 THR CB C 7 71.440 71.440 70.508 0.932 19390 565 1 3 . 1 1 7 7 THR H H 7 7.598 7.598 7.777 -0.179 19390 566 1 3 . 1 1 8 8 PHE N N 8 123.123 123.123 125.794 -2.671 19390 567 1 3 . 1 1 8 8 PHE HA H 8 4.688 4.688 4.800 -0.112 19390 568 1 3 . 1 1 8 8 PHE CA C 8 56.645 56.645 56.596 0.049 19390 569 1 3 . 1 1 8 8 PHE CB C 8 42.383 42.383 42.367 0.016 19390 570 1 3 . 1 1 8 8 PHE H H 8 8.939 8.939 9.110 -0.171 19390 571 1 3 . 1 1 9 9 TYR N N 9 122.356 122.356 125.111 -2.755 19390 572 1 3 . 1 1 9 9 TYR HA H 9 5.334 5.334 5.335 -0.001 19390 573 1 3 . 1 1 9 9 TYR CA C 9 56.921 56.921 56.784 0.137 19390 574 1 3 . 1 1 9 9 TYR CB C 9 40.008 40.008 40.612 -0.605 19390 575 1 3 . 1 1 9 9 TYR H H 9 8.503 8.503 8.507 -0.004 19390 576 1 3 . 1 1 10 10 LEU N N 10 124.441 124.441 124.249 0.192 19390 577 1 3 . 1 1 10 10 LEU HA H 10 4.687 4.687 4.975 -0.288 19390 578 1 3 . 1 1 10 10 LEU CA C 10 53.736 53.736 52.768 0.968 19390 579 1 3 . 1 1 10 10 LEU CB C 10 46.193 46.193 46.071 0.122 19390 580 1 3 . 1 1 10 10 LEU H H 10 8.716 8.716 8.442 0.274 19390 581 1 3 . 1 1 11 11 ALA N N 11 123.556 123.556 122.765 0.791 19390 582 1 3 . 1 1 11 11 ALA HA H 11 4.906 4.906 5.209 -0.303 19390 583 1 3 . 1 1 11 11 ALA CA C 11 51.631 51.631 51.045 0.586 19390 584 1 3 . 1 1 11 11 ALA CB C 11 20.073 20.073 20.644 -0.571 19390 585 1 3 . 1 1 11 11 ALA H H 11 8.104 8.104 8.210 -0.106 19390 586 1 3 . 1 1 12 12 LEU N N 12 121.796 121.796 123.057 -1.261 19390 587 1 3 . 1 1 12 12 LEU HA H 12 4.502 4.502 4.518 -0.016 19390 588 1 3 . 1 1 12 12 LEU CA C 12 53.050 53.050 53.200 -0.150 19390 589 1 3 . 1 1 12 12 LEU CB C 12 43.624 43.624 45.625 -2.001 19390 590 1 3 . 1 1 12 12 LEU H H 12 8.004 8.004 8.778 -0.774 19390 591 1 3 . 1 1 13 13 HIS N N 13 118.912 118.912 120.908 -1.996 19390 592 1 3 . 1 1 13 13 HIS HA H 13 4.758 4.758 4.791 -0.033 19390 593 1 3 . 1 1 13 13 HIS CA C 13 56.865 56.865 56.499 0.366 19390 594 1 3 . 1 1 13 13 HIS CB C 13 29.731 29.731 30.509 -0.778 19390 595 1 3 . 1 1 13 13 HIS H H 13 8.659 8.659 9.034 -0.375 19390 596 1 3 . 1 1 14 14 GLY N N 14 111.509 111.509 111.822 -0.313 19390 597 1 3 . 1 1 14 14 GLY CA C 14 46.332 46.332 46.641 -0.309 19390 598 1 3 . 1 1 14 14 GLY H H 14 8.880 8.880 8.419 0.461 19390 599 1 3 . 1 1 15 15 GLY N N 15 111.541 111.541 113.646 -2.105 19390 600 1 3 . 1 1 15 15 GLY CA C 15 46.391 46.391 44.787 1.604 19390 601 1 3 . 1 1 15 15 GLY H H 15 9.276 9.276 8.234 1.042 19390 602 1 3 . 1 1 16 16 GLN N N 16 118.322 118.322 119.577 -1.255 19390 603 1 3 . 1 1 16 16 GLN HA H 16 4.499 4.499 4.652 -0.153 19390 604 1 3 . 1 1 16 16 GLN CA C 16 54.139 54.139 54.117 0.022 19390 605 1 3 . 1 1 16 16 GLN CB C 16 30.522 30.522 30.331 0.191 19390 606 1 3 . 1 1 16 16 GLN H H 16 7.376 7.376 8.024 -0.648 19390 607 1 3 . 1 1 17 17 THR N N 17 117.250 117.250 116.966 0.284 19390 608 1 3 . 1 1 17 17 THR HA H 17 4.662 4.662 4.544 0.118 19390 609 1 3 . 1 1 17 17 THR CA C 17 63.671 63.671 61.807 1.864 19390 610 1 3 . 1 1 17 17 THR CB C 17 68.939 68.939 69.797 -0.858 19390 611 1 3 . 1 1 17 17 THR H H 17 8.379 8.379 8.223 0.156 19390 612 1 3 . 1 1 18 18 TYR N N 18 127.800 127.800 122.798 5.002 19390 613 1 3 . 1 1 18 18 TYR HA H 18 4.737 4.737 5.069 -0.332 19390 614 1 3 . 1 1 18 18 TYR CA C 18 57.312 57.312 56.937 0.375 19390 615 1 3 . 1 1 18 18 TYR CB C 18 41.411 41.411 42.802 -1.391 19390 616 1 3 . 1 1 18 18 TYR H H 18 9.556 9.556 8.642 0.914 19390 617 1 3 . 1 1 19 19 HIS N N 19 121.884 121.884 121.660 0.224 19390 618 1 3 . 1 1 19 19 HIS HA H 19 5.579 5.579 4.752 0.827 19390 619 1 3 . 1 1 19 19 HIS CA C 19 54.290 54.290 55.329 -1.039 19390 620 1 3 . 1 1 19 19 HIS CB C 19 31.704 31.704 31.336 0.368 19390 621 1 3 . 1 1 19 19 HIS H H 19 9.676 9.676 9.328 0.348 19390 622 1 3 . 1 1 20 20 LEU N N 20 127.685 127.685 128.518 -0.833 19390 623 1 3 . 1 1 20 20 LEU HA H 20 5.434 5.434 5.188 0.246 19390 624 1 3 . 1 1 20 20 LEU CA C 20 54.056 54.056 54.160 -0.104 19390 625 1 3 . 1 1 20 20 LEU CB C 20 45.997 45.997 43.801 2.196 19390 626 1 3 . 1 1 20 20 LEU H H 20 9.590 9.590 8.669 0.921 19390 627 1 3 . 1 1 21 21 ILE N N 21 125.555 125.555 129.218 -3.663 19390 628 1 3 . 1 1 21 21 ILE HA H 21 4.642 4.642 4.451 0.191 19390 629 1 3 . 1 1 21 21 ILE CA C 21 61.529 61.529 60.603 0.926 19390 630 1 3 . 1 1 21 21 ILE CB C 21 42.522 42.522 41.454 1.068 19390 631 1 3 . 1 1 21 21 ILE H H 21 8.791 8.791 9.071 -0.280 19390 632 1 3 . 1 1 22 22 VAL N N 22 128.302 128.302 128.025 0.277 19390 633 1 3 . 1 1 22 22 VAL HA H 22 5.014 5.014 5.184 -0.170 19390 634 1 3 . 1 1 22 22 VAL CA C 22 59.804 59.804 59.568 0.236 19390 635 1 3 . 1 1 22 22 VAL CB C 22 33.977 33.977 33.842 0.135 19390 636 1 3 . 1 1 22 22 VAL H H 22 9.741 9.741 8.360 1.381 19390 637 1 3 . 1 1 23 23 ASP N N 23 126.317 126.317 127.246 -0.929 19390 638 1 3 . 1 1 23 23 ASP HA H 23 4.958 4.958 4.952 0.006 19390 639 1 3 . 1 1 23 23 ASP CA C 23 52.823 52.823 52.674 0.149 19390 640 1 3 . 1 1 23 23 ASP CB C 23 44.752 44.752 44.433 0.319 19390 641 1 3 . 1 1 23 23 ASP H H 23 8.595 8.595 8.952 -0.357 19390 642 1 3 . 1 1 24 24 THR N N 24 111.217 111.217 112.096 -0.879 19390 643 1 3 . 1 1 24 24 THR HA H 24 5.053 5.053 4.988 0.065 19390 644 1 3 . 1 1 24 24 THR CA C 24 60.370 60.370 60.565 -0.195 19390 645 1 3 . 1 1 24 24 THR CB C 24 71.606 71.606 70.821 0.785 19390 646 1 3 . 1 1 24 24 THR H H 24 8.769 8.769 8.276 0.493 19390 647 1 3 . 1 1 25 25 ASP N N 25 122.678 122.678 124.244 -1.566 19390 648 1 3 . 1 1 25 25 ASP HA H 25 4.815 4.815 4.606 0.209 19390 649 1 3 . 1 1 25 25 ASP CA C 25 52.701 52.701 53.654 -0.953 19390 650 1 3 . 1 1 25 25 ASP CB C 25 41.548 41.548 42.297 -0.749 19390 651 1 3 . 1 1 25 25 ASP H H 25 8.351 8.351 9.058 -0.707 19390 652 1 3 . 1 1 26 26 SER HA H 26 4.273 4.273 4.322 -0.049 19390 653 1 3 . 1 1 26 26 SER CA C 26 61.172 61.172 60.390 0.782 19390 654 1 3 . 1 1 26 26 SER CB C 26 63.171 63.171 63.100 0.071 19390 655 1 3 . 1 1 27 27 LEU N N 27 121.798 121.798 120.088 1.710 19390 656 1 3 . 1 1 27 27 LEU HA H 27 4.530 4.530 4.407 0.123 19390 657 1 3 . 1 1 27 27 LEU CA C 27 54.639 54.639 55.007 -0.368 19390 658 1 3 . 1 1 27 27 LEU CB C 27 42.333 42.333 42.542 -0.209 19390 659 1 3 . 1 1 27 27 LEU H H 27 8.031 8.031 7.924 0.107 19390 660 1 3 . 1 1 28 28 GLY N N 28 107.680 107.680 105.412 2.268 19390 661 1 3 . 1 1 28 28 GLY CA C 28 45.241 45.241 44.532 0.709 19390 662 1 3 . 1 1 28 28 GLY H H 28 8.053 8.053 8.180 -0.127 19390 663 1 3 . 1 1 29 29 ASN N N 29 121.531 121.531 120.698 0.833 19390 664 1 3 . 1 1 29 29 ASN HA H 29 5.084 5.084 5.123 -0.039 19390 665 1 3 . 1 1 29 29 ASN CA C 29 51.422 51.422 51.429 -0.007 19390 666 1 3 . 1 1 29 29 ASN CB C 29 38.385 38.385 39.175 -0.790 19390 667 1 3 . 1 1 29 29 ASN H H 29 8.761 8.761 8.028 0.733 19390 668 1 3 . 1 1 30 30 PRO HA H 30 5.220 5.220 5.024 0.196 19390 669 1 3 . 1 1 30 30 PRO CA C 30 62.660 62.660 62.633 0.027 19390 670 1 3 . 1 1 30 30 PRO CB C 30 32.898 32.898 32.861 0.037 19390 671 1 3 . 1 1 31 31 SER N N 31 116.249 116.249 117.425 -1.176 19390 672 1 3 . 1 1 31 31 SER HA H 31 4.675 4.675 4.896 -0.221 19390 673 1 3 . 1 1 31 31 SER CA C 31 57.027 57.027 57.070 -0.043 19390 674 1 3 . 1 1 31 31 SER CB C 31 65.495 65.495 65.632 -0.137 19390 675 1 3 . 1 1 31 31 SER H H 31 8.859 8.859 8.978 -0.119 19390 676 1 3 . 1 1 32 32 LEU N N 32 123.992 123.992 125.906 -1.914 19390 677 1 3 . 1 1 32 32 LEU HA H 32 4.910 4.910 4.932 -0.022 19390 678 1 3 . 1 1 32 32 LEU CA C 32 54.226 54.226 53.850 0.376 19390 679 1 3 . 1 1 32 32 LEU CB C 32 44.693 44.693 45.292 -0.599 19390 680 1 3 . 1 1 32 32 LEU H H 32 7.566 7.566 8.591 -1.025 19390 681 1 3 . 1 1 33 33 SER N N 33 120.489 120.489 124.043 -3.554 19390 682 1 3 . 1 1 33 33 SER HA H 33 4.750 4.750 4.835 -0.085 19390 683 1 3 . 1 1 33 33 SER CA C 33 57.236 57.236 57.223 0.013 19390 684 1 3 . 1 1 33 33 SER CB C 33 65.138 65.138 65.096 0.042 19390 685 1 3 . 1 1 33 33 SER H H 33 8.723 8.723 9.143 -0.420 19390 686 1 3 . 1 1 34 34 VAL N N 34 124.737 124.737 126.834 -2.097 19390 687 1 3 . 1 1 34 34 VAL HA H 34 5.290 5.290 5.412 -0.122 19390 688 1 3 . 1 1 34 34 VAL CA C 34 61.163 61.163 61.192 -0.029 19390 689 1 3 . 1 1 34 34 VAL CB C 34 33.901 33.901 34.553 -0.652 19390 690 1 3 . 1 1 34 34 VAL H H 34 8.296 8.296 8.577 -0.281 19390 691 1 3 . 1 1 35 35 ILE N N 35 125.451 125.451 127.407 -1.956 19390 692 1 3 . 1 1 35 35 ILE HA H 35 5.040 5.040 4.811 0.229 19390 693 1 3 . 1 1 35 35 ILE CA C 35 57.790 57.790 57.862 -0.072 19390 694 1 3 . 1 1 35 35 ILE CB C 35 42.244 42.244 41.180 1.064 19390 695 1 3 . 1 1 35 35 ILE H H 35 8.920 8.920 9.051 -0.131 19390 696 1 3 . 1 1 36 36 PRO HA H 36 4.117 4.117 4.004 0.113 19390 697 1 3 . 1 1 36 36 PRO CA C 36 63.249 63.249 62.617 0.632 19390 698 1 3 . 1 1 36 36 PRO CB C 36 32.044 32.044 31.935 0.109 19390 699 1 3 . 1 1 37 37 SER N N 37 116.872 116.872 117.676 -0.804 19390 700 1 3 . 1 1 37 37 SER HA H 37 3.672 3.672 4.092 -0.420 19390 701 1 3 . 1 1 37 37 SER CA C 37 60.172 60.172 60.129 0.043 19390 702 1 3 . 1 1 37 37 SER CB C 37 63.252 63.252 63.557 -0.305 19390 703 1 3 . 1 1 37 37 SER H H 37 7.847 7.847 8.397 -0.550 19390 704 1 3 . 1 1 38 38 ASN N N 38 117.181 117.181 117.761 -0.580 19390 705 1 3 . 1 1 38 38 ASN HA H 38 5.087 5.087 5.066 0.021 19390 706 1 3 . 1 1 38 38 ASN CA C 38 50.363 50.363 51.353 -0.990 19390 707 1 3 . 1 1 38 38 ASN CB C 38 39.385 39.385 40.011 -0.626 19390 708 1 3 . 1 1 38 38 ASN H H 38 7.951 7.951 7.963 -0.012 19390 709 1 3 . 1 1 39 39 PRO HA H 39 4.227 4.227 4.279 -0.052 19390 710 1 3 . 1 1 39 39 PRO CA C 39 64.374 64.374 64.374 0.000 19390 711 1 3 . 1 1 39 39 PRO CB C 39 32.088 32.088 31.649 0.439 19390 712 1 3 . 1 1 40 40 TYR N N 40 118.056 118.056 117.412 0.644 19390 713 1 3 . 1 1 40 40 TYR HA H 40 4.509 4.509 4.438 0.071 19390 714 1 3 . 1 1 40 40 TYR CA C 40 58.814 58.814 60.686 -1.872 19390 715 1 3 . 1 1 40 40 TYR CB C 40 37.907 37.907 37.672 0.235 19390 716 1 3 . 1 1 40 40 TYR H H 40 7.818 7.818 7.547 0.271 19390 717 1 3 . 1 1 41 41 GLN N N 41 118.923 118.923 117.978 0.945 19390 718 1 3 . 1 1 41 41 GLN HA H 41 4.085 4.085 4.014 0.071 19390 719 1 3 . 1 1 41 41 GLN CA C 41 56.997 56.997 58.460 -1.463 19390 720 1 3 . 1 1 41 41 GLN CB C 41 29.359 29.359 27.916 1.442 19390 721 1 3 . 1 1 41 41 GLN H H 41 7.537 7.537 7.768 -0.231 19390 722 1 3 . 1 1 42 42 GLU N N 42 121.556 121.556 116.511 5.045 19390 723 1 3 . 1 1 42 42 GLU HA H 42 3.983 3.983 4.136 -0.153 19390 724 1 3 . 1 1 42 42 GLU CA C 42 58.700 58.700 58.672 0.028 19390 725 1 3 . 1 1 42 42 GLU CB C 42 29.600 29.600 28.930 0.670 19390 726 1 3 . 1 1 42 42 GLU H H 42 8.294 8.294 7.632 0.662 19390 727 1 3 . 1 1 43 43 GLN N N 43 117.353 117.353 117.358 -0.005 19390 728 1 3 . 1 1 43 43 GLN HA H 43 4.266 4.266 4.225 0.041 19390 729 1 3 . 1 1 43 43 GLN CA C 43 56.668 56.668 58.028 -1.359 19390 730 1 3 . 1 1 43 43 GLN CB C 43 29.038 29.038 29.403 -0.365 19390 731 1 3 . 1 1 43 43 GLN H H 43 7.898 7.898 7.344 0.554 19390 732 1 3 . 1 1 44 44 LEU N N 44 120.635 120.635 122.613 -1.978 19390 733 1 3 . 1 1 44 44 LEU HA H 44 4.365 4.365 4.537 -0.172 19390 734 1 3 . 1 1 44 44 LEU CA C 44 54.935 54.935 53.405 1.530 19390 735 1 3 . 1 1 44 44 LEU CB C 44 42.453 42.453 40.507 1.946 19390 736 1 3 . 1 1 44 44 LEU H H 44 7.613 7.613 8.110 -0.497 19390 737 1 3 . 1 1 45 45 SER N N 45 114.883 114.883 116.374 -1.491 19390 738 1 3 . 1 1 45 45 SER HA H 45 4.273 4.273 4.726 -0.453 19390 739 1 3 . 1 1 45 45 SER CA C 45 59.272 59.272 57.671 1.601 19390 740 1 3 . 1 1 45 45 SER CB C 45 63.636 63.636 62.656 0.980 19390 741 1 3 . 1 1 45 45 SER H H 45 7.696 7.696 7.998 -0.302 19390 742 1 3 . 1 1 46 46 ASP N N 46 122.467 122.467 121.210 1.257 19390 743 1 3 . 1 1 46 46 ASP HA H 46 4.762 4.762 4.696 0.066 19390 744 1 3 . 1 1 46 46 ASP CA C 46 53.897 53.897 54.775 -0.878 19390 745 1 3 . 1 1 46 46 ASP CB C 46 41.083 41.083 41.072 0.011 19390 746 1 3 . 1 1 46 46 ASP H H 46 8.352 8.352 8.352 0.000 19390 747 1 3 . 1 1 47 47 THR N N 47 113.208 113.208 115.721 -2.513 19390 748 1 3 . 1 1 47 47 THR HA H 47 4.708 4.708 4.765 -0.057 19390 749 1 3 . 1 1 47 47 THR CA C 47 59.767 59.767 59.130 0.637 19390 750 1 3 . 1 1 47 47 THR CB C 47 69.342 69.342 69.396 -0.054 19390 751 1 3 . 1 1 47 47 THR H H 47 7.696 7.696 7.745 -0.049 19390 752 1 3 . 1 1 48 48 PRO HA H 48 4.459 4.459 4.469 -0.010 19390 753 1 3 . 1 1 48 48 PRO CA C 48 63.397 63.397 62.685 0.712 19390 754 1 3 . 1 1 48 48 PRO CB C 48 32.484 32.484 32.383 0.101 19390 755 1 3 . 1 1 49 49 LEU N N 49 121.960 121.960 123.417 -1.457 19390 756 1 3 . 1 1 49 49 LEU HA H 49 4.346 4.346 4.605 -0.259 19390 757 1 3 . 1 1 49 49 LEU CA C 49 54.134 54.134 54.286 -0.152 19390 758 1 3 . 1 1 49 49 LEU CB C 49 43.308 43.308 42.740 0.568 19390 759 1 3 . 1 1 49 49 LEU H H 49 8.114 8.114 8.376 -0.262 19390 760 1 3 . 1 1 50 50 ILE N N 50 126.325 126.325 124.986 1.339 19390 761 1 3 . 1 1 50 50 ILE HA H 50 4.485 4.485 4.552 -0.067 19390 762 1 3 . 1 1 50 50 ILE CA C 50 58.184 58.184 58.136 0.048 19390 763 1 3 . 1 1 50 50 ILE CB C 50 40.050 40.050 39.767 0.283 19390 764 1 3 . 1 1 50 50 ILE H H 50 9.351 9.351 9.004 0.347 19390 765 1 3 . 1 1 51 51 PRO HA H 51 4.940 4.940 4.869 0.071 19390 766 1 3 . 1 1 51 51 PRO CA C 51 61.995 61.995 62.056 -0.061 19390 767 1 3 . 1 1 51 51 PRO CB C 51 32.280 32.280 32.114 0.166 19390 768 1 3 . 1 1 52 52 LEU N N 52 121.794 121.794 125.979 -4.185 19390 769 1 3 . 1 1 52 52 LEU HA H 52 5.265 5.265 4.553 0.712 19390 770 1 3 . 1 1 52 52 LEU CA C 52 54.361 54.361 54.453 -0.092 19390 771 1 3 . 1 1 52 52 LEU CB C 52 46.108 46.108 45.509 0.599 19390 772 1 3 . 1 1 52 52 LEU H H 52 8.875 8.875 8.908 -0.033 19390 773 1 3 . 1 1 53 53 THR N N 53 118.726 118.726 119.877 -1.151 19390 774 1 3 . 1 1 53 53 THR HA H 53 4.922 4.922 4.998 -0.076 19390 775 1 3 . 1 1 53 53 THR CA C 53 62.427 62.427 61.901 0.525 19390 776 1 3 . 1 1 53 53 THR CB C 53 70.731 70.731 69.393 1.338 19390 777 1 3 . 1 1 53 53 THR H H 53 8.827 8.827 8.398 0.429 19390 778 1 3 . 1 1 54 54 ILE N N 54 125.500 125.500 128.027 -2.527 19390 779 1 3 . 1 1 54 54 ILE HA H 54 4.962 4.962 4.455 0.507 19390 780 1 3 . 1 1 54 54 ILE CA C 54 60.527 60.527 60.425 0.102 19390 781 1 3 . 1 1 54 54 ILE CB C 54 40.830 40.830 40.099 0.731 19390 782 1 3 . 1 1 54 54 ILE H H 54 9.116 9.116 9.042 0.074 19390 783 1 3 . 1 1 55 55 PHE N N 55 126.244 126.244 125.858 0.386 19390 784 1 3 . 1 1 55 55 PHE HA H 55 5.386 5.386 5.266 0.120 19390 785 1 3 . 1 1 55 55 PHE CA C 55 55.759 55.759 56.660 -0.901 19390 786 1 3 . 1 1 55 55 PHE CB C 55 41.193 41.193 41.266 -0.073 19390 787 1 3 . 1 1 55 55 PHE H H 55 9.348 9.348 8.787 0.561 19390 788 1 3 . 1 1 56 56 VAL N N 56 123.920 123.920 123.352 0.568 19390 789 1 3 . 1 1 56 56 VAL HA H 56 4.614 4.614 4.284 0.330 19390 790 1 3 . 1 1 56 56 VAL CA C 56 62.066 62.066 62.310 -0.244 19390 791 1 3 . 1 1 56 56 VAL CB C 56 32.730 32.730 33.144 -0.414 19390 792 1 3 . 1 1 56 56 VAL H H 56 8.424 8.424 8.103 0.321 19390 793 1 3 . 1 1 57 57 GLY N N 57 113.280 113.280 113.495 -0.215 19390 794 1 3 . 1 1 57 57 GLY CA C 57 44.513 44.513 44.606 -0.093 19390 795 1 3 . 1 1 57 57 GLY H H 57 8.483 8.483 8.417 0.066 19390 796 1 3 . 1 1 58 58 GLU N N 58 118.539 118.539 120.156 -1.617 19390 797 1 3 . 1 1 58 58 GLU HA H 58 4.412 4.412 4.242 0.170 19390 798 1 3 . 1 1 58 58 GLU CA C 58 56.298 56.298 55.578 0.720 19390 799 1 3 . 1 1 58 58 GLU CB C 58 31.404 31.404 29.331 2.074 19390 800 1 3 . 1 1 58 58 GLU H H 58 8.283 8.283 8.553 -0.270 19390 801 1 3 . 1 1 59 59 ASN N N 59 120.870 120.870 119.644 1.226 19390 802 1 3 . 1 1 59 59 ASN HA H 59 4.852 4.852 4.625 0.227 19390 803 1 3 . 1 1 59 59 ASN CA C 59 53.120 53.120 53.641 -0.521 19390 804 1 3 . 1 1 59 59 ASN CB C 59 39.150 39.150 38.585 0.565 19390 805 1 3 . 1 1 59 59 ASN H H 59 8.530 8.530 8.347 0.183 19390 806 1 3 . 1 1 60 60 THR N N 60 114.187 114.187 112.871 1.316 19390 807 1 3 . 1 1 60 60 THR HA H 60 4.358 4.358 4.499 -0.141 19390 808 1 3 . 1 1 60 60 THR CA C 60 62.086 62.086 61.750 0.336 19390 809 1 3 . 1 1 60 60 THR CB C 60 69.713 69.713 69.674 0.038 19390 810 1 3 . 1 1 60 60 THR H H 60 8.161 8.161 8.077 0.084 19390 811 1 3 . 1 1 61 61 GLY N N 61 111.003 111.003 110.798 0.205 19390 812 1 3 . 1 1 61 61 GLY CA C 61 45.690 45.690 45.933 -0.243 19390 813 1 3 . 1 1 61 61 GLY H H 61 8.280 8.280 8.306 -0.026 19390 814 1 4 . 1 1 2 2 ALA HA H 2 4.391 4.391 4.677 -0.286 19390 815 1 4 . 1 1 2 2 ALA CA C 2 52.919 52.919 52.137 0.782 19390 816 1 4 . 1 1 2 2 ALA CB C 2 19.616 19.616 18.877 0.739 19390 817 1 4 . 1 1 3 3 MET HA H 3 4.488 4.488 4.568 -0.080 19390 818 1 4 . 1 1 3 3 MET CA C 3 55.738 55.738 56.513 -0.775 19390 819 1 4 . 1 1 4 4 GLU N N 4 121.531 121.531 118.702 2.829 19390 820 1 4 . 1 1 4 4 GLU HA H 4 4.365 4.365 4.526 -0.161 19390 821 1 4 . 1 1 4 4 GLU CA C 4 56.625 56.625 56.131 0.494 19390 822 1 4 . 1 1 4 4 GLU CB C 4 30.398 30.398 29.995 0.403 19390 823 1 4 . 1 1 4 4 GLU H H 4 8.288 8.288 8.050 0.238 19390 824 1 4 . 1 1 5 5 MET N N 5 121.777 121.777 119.554 2.223 19390 825 1 4 . 1 1 5 5 MET HA H 5 4.877 4.877 4.946 -0.069 19390 826 1 4 . 1 1 5 5 MET CA C 5 53.509 53.509 52.739 0.770 19390 827 1 4 . 1 1 5 5 MET CB C 5 33.467 33.467 32.428 1.040 19390 828 1 4 . 1 1 5 5 MET H H 5 8.139 8.139 7.862 0.277 19390 829 1 4 . 1 1 6 6 PRO HA H 6 4.335 4.335 4.346 -0.011 19390 830 1 4 . 1 1 6 6 PRO CA C 6 63.752 63.752 63.171 0.581 19390 831 1 4 . 1 1 6 6 PRO CB C 6 31.890 31.890 31.883 0.007 19390 832 1 4 . 1 1 7 7 THR N N 7 117.518 117.518 117.302 0.216 19390 833 1 4 . 1 1 7 7 THR HA H 7 4.882 4.882 4.676 0.206 19390 834 1 4 . 1 1 7 7 THR CA C 7 61.507 61.507 61.135 0.372 19390 835 1 4 . 1 1 7 7 THR CB C 7 71.440 71.440 70.611 0.829 19390 836 1 4 . 1 1 7 7 THR H H 7 7.598 7.598 7.828 -0.230 19390 837 1 4 . 1 1 8 8 PHE N N 8 123.123 123.123 125.462 -2.339 19390 838 1 4 . 1 1 8 8 PHE HA H 8 4.688 4.688 4.786 -0.098 19390 839 1 4 . 1 1 8 8 PHE CA C 8 56.645 56.645 56.587 0.058 19390 840 1 4 . 1 1 8 8 PHE CB C 8 42.383 42.383 42.904 -0.521 19390 841 1 4 . 1 1 8 8 PHE H H 8 8.939 8.939 9.138 -0.199 19390 842 1 4 . 1 1 9 9 TYR N N 9 122.356 122.356 124.150 -1.794 19390 843 1 4 . 1 1 9 9 TYR HA H 9 5.334 5.334 5.242 0.092 19390 844 1 4 . 1 1 9 9 TYR CA C 9 56.921 56.921 56.796 0.125 19390 845 1 4 . 1 1 9 9 TYR CB C 9 40.008 40.008 40.559 -0.551 19390 846 1 4 . 1 1 9 9 TYR H H 9 8.503 8.503 8.446 0.057 19390 847 1 4 . 1 1 10 10 LEU N N 10 124.441 124.441 124.183 0.258 19390 848 1 4 . 1 1 10 10 LEU HA H 10 4.687 4.687 5.058 -0.371 19390 849 1 4 . 1 1 10 10 LEU CA C 10 53.736 53.736 52.903 0.833 19390 850 1 4 . 1 1 10 10 LEU CB C 10 46.193 46.193 46.136 0.057 19390 851 1 4 . 1 1 10 10 LEU H H 10 8.716 8.716 8.706 0.010 19390 852 1 4 . 1 1 11 11 ALA N N 11 123.556 123.556 122.801 0.755 19390 853 1 4 . 1 1 11 11 ALA HA H 11 4.906 4.906 5.339 -0.433 19390 854 1 4 . 1 1 11 11 ALA CA C 11 51.631 51.631 50.979 0.652 19390 855 1 4 . 1 1 11 11 ALA CB C 11 20.073 20.073 20.667 -0.594 19390 856 1 4 . 1 1 11 11 ALA H H 11 8.104 8.104 8.238 -0.134 19390 857 1 4 . 1 1 12 12 LEU N N 12 121.796 121.796 123.832 -2.036 19390 858 1 4 . 1 1 12 12 LEU HA H 12 4.502 4.502 4.354 0.148 19390 859 1 4 . 1 1 12 12 LEU CA C 12 53.050 53.050 53.325 -0.275 19390 860 1 4 . 1 1 12 12 LEU CB C 12 43.624 43.624 45.328 -1.704 19390 861 1 4 . 1 1 12 12 LEU H H 12 8.004 8.004 8.738 -0.734 19390 862 1 4 . 1 1 13 13 HIS N N 13 118.912 118.912 121.309 -2.397 19390 863 1 4 . 1 1 13 13 HIS HA H 13 4.758 4.758 4.911 -0.153 19390 864 1 4 . 1 1 13 13 HIS CA C 13 56.865 56.865 56.694 0.171 19390 865 1 4 . 1 1 13 13 HIS CB C 13 29.731 29.731 30.408 -0.677 19390 866 1 4 . 1 1 13 13 HIS H H 13 8.659 8.659 9.116 -0.457 19390 867 1 4 . 1 1 14 14 GLY N N 14 111.509 111.509 112.651 -1.142 19390 868 1 4 . 1 1 14 14 GLY CA C 14 46.332 46.332 46.733 -0.401 19390 869 1 4 . 1 1 14 14 GLY H H 14 8.880 8.880 8.141 0.739 19390 870 1 4 . 1 1 15 15 GLY N N 15 111.541 111.541 113.624 -2.083 19390 871 1 4 . 1 1 15 15 GLY CA C 15 46.391 46.391 44.690 1.701 19390 872 1 4 . 1 1 15 15 GLY H H 15 9.276 9.276 8.242 1.034 19390 873 1 4 . 1 1 16 16 GLN N N 16 118.322 118.322 120.530 -2.208 19390 874 1 4 . 1 1 16 16 GLN HA H 16 4.499 4.499 4.487 0.012 19390 875 1 4 . 1 1 16 16 GLN CA C 16 54.139 54.139 55.045 -0.906 19390 876 1 4 . 1 1 16 16 GLN CB C 16 30.522 30.522 29.873 0.649 19390 877 1 4 . 1 1 16 16 GLN H H 16 7.376 7.376 8.093 -0.717 19390 878 1 4 . 1 1 17 17 THR N N 17 117.250 117.250 119.725 -2.475 19390 879 1 4 . 1 1 17 17 THR HA H 17 4.662 4.662 4.552 0.110 19390 880 1 4 . 1 1 17 17 THR CA C 17 63.671 63.671 61.804 1.867 19390 881 1 4 . 1 1 17 17 THR CB C 17 68.939 68.939 69.774 -0.835 19390 882 1 4 . 1 1 17 17 THR H H 17 8.379 8.379 8.157 0.222 19390 883 1 4 . 1 1 18 18 TYR N N 18 127.800 127.800 123.224 4.576 19390 884 1 4 . 1 1 18 18 TYR HA H 18 4.737 4.737 5.132 -0.395 19390 885 1 4 . 1 1 18 18 TYR CA C 18 57.312 57.312 56.695 0.617 19390 886 1 4 . 1 1 18 18 TYR CB C 18 41.411 41.411 42.493 -1.082 19390 887 1 4 . 1 1 18 18 TYR H H 18 9.556 9.556 8.711 0.845 19390 888 1 4 . 1 1 19 19 HIS N N 19 121.884 121.884 121.846 0.038 19390 889 1 4 . 1 1 19 19 HIS HA H 19 5.579 5.579 4.751 0.828 19390 890 1 4 . 1 1 19 19 HIS CA C 19 54.290 54.290 55.089 -0.799 19390 891 1 4 . 1 1 19 19 HIS CB C 19 31.704 31.704 31.367 0.337 19390 892 1 4 . 1 1 19 19 HIS H H 19 9.676 9.676 9.268 0.408 19390 893 1 4 . 1 1 20 20 LEU N N 20 127.685 127.685 128.421 -0.736 19390 894 1 4 . 1 1 20 20 LEU HA H 20 5.434 5.434 5.248 0.186 19390 895 1 4 . 1 1 20 20 LEU CA C 20 54.056 54.056 54.046 0.010 19390 896 1 4 . 1 1 20 20 LEU CB C 20 45.997 45.997 43.756 2.241 19390 897 1 4 . 1 1 20 20 LEU H H 20 9.590 9.590 8.668 0.922 19390 898 1 4 . 1 1 21 21 ILE N N 21 125.555 125.555 129.168 -3.613 19390 899 1 4 . 1 1 21 21 ILE HA H 21 4.642 4.642 4.425 0.217 19390 900 1 4 . 1 1 21 21 ILE CA C 21 61.529 61.529 60.624 0.905 19390 901 1 4 . 1 1 21 21 ILE CB C 21 42.522 42.522 41.439 1.083 19390 902 1 4 . 1 1 21 21 ILE H H 21 8.791 8.791 8.994 -0.203 19390 903 1 4 . 1 1 22 22 VAL N N 22 128.302 128.302 127.700 0.602 19390 904 1 4 . 1 1 22 22 VAL HA H 22 5.014 5.014 5.125 -0.111 19390 905 1 4 . 1 1 22 22 VAL CA C 22 59.804 59.804 59.687 0.117 19390 906 1 4 . 1 1 22 22 VAL CB C 22 33.977 33.977 33.836 0.142 19390 907 1 4 . 1 1 22 22 VAL H H 22 9.741 9.741 8.316 1.425 19390 908 1 4 . 1 1 23 23 ASP N N 23 126.317 126.317 128.016 -1.699 19390 909 1 4 . 1 1 23 23 ASP HA H 23 4.958 4.958 4.980 -0.022 19390 910 1 4 . 1 1 23 23 ASP CA C 23 52.823 52.823 53.408 -0.585 19390 911 1 4 . 1 1 23 23 ASP CB C 23 44.752 44.752 44.802 -0.050 19390 912 1 4 . 1 1 23 23 ASP H H 23 8.595 8.595 8.563 0.032 19390 913 1 4 . 1 1 24 24 THR N N 24 111.217 111.217 114.603 -3.386 19390 914 1 4 . 1 1 24 24 THR HA H 24 5.053 5.053 5.176 -0.123 19390 915 1 4 . 1 1 24 24 THR CA C 24 60.370 60.370 60.300 0.070 19390 916 1 4 . 1 1 24 24 THR CB C 24 71.606 71.606 71.446 0.160 19390 917 1 4 . 1 1 24 24 THR H H 24 8.769 8.769 8.233 0.536 19390 918 1 4 . 1 1 25 25 ASP N N 25 122.678 122.678 123.630 -0.952 19390 919 1 4 . 1 1 25 25 ASP HA H 25 4.815 4.815 4.571 0.244 19390 920 1 4 . 1 1 25 25 ASP CA C 25 52.701 52.701 53.398 -0.697 19390 921 1 4 . 1 1 25 25 ASP CB C 25 41.548 41.548 42.208 -0.660 19390 922 1 4 . 1 1 25 25 ASP H H 25 8.351 8.351 8.569 -0.218 19390 923 1 4 . 1 1 26 26 SER HA H 26 4.273 4.273 4.273 -0.000 19390 924 1 4 . 1 1 26 26 SER CA C 26 61.172 61.172 60.700 0.472 19390 925 1 4 . 1 1 26 26 SER CB C 26 63.171 63.171 62.933 0.238 19390 926 1 4 . 1 1 27 27 LEU N N 27 121.798 121.798 120.177 1.621 19390 927 1 4 . 1 1 27 27 LEU HA H 27 4.530 4.530 4.479 0.051 19390 928 1 4 . 1 1 27 27 LEU CA C 27 54.639 54.639 54.961 -0.322 19390 929 1 4 . 1 1 27 27 LEU CB C 27 42.333 42.333 42.499 -0.166 19390 930 1 4 . 1 1 27 27 LEU H H 27 8.031 8.031 8.372 -0.341 19390 931 1 4 . 1 1 28 28 GLY N N 28 107.680 107.680 105.196 2.484 19390 932 1 4 . 1 1 28 28 GLY CA C 28 45.241 45.241 44.489 0.752 19390 933 1 4 . 1 1 28 28 GLY H H 28 8.053 8.053 7.784 0.269 19390 934 1 4 . 1 1 29 29 ASN N N 29 121.531 121.531 120.899 0.632 19390 935 1 4 . 1 1 29 29 ASN HA H 29 5.084 5.084 5.063 0.021 19390 936 1 4 . 1 1 29 29 ASN CA C 29 51.422 51.422 51.957 -0.535 19390 937 1 4 . 1 1 29 29 ASN CB C 29 38.385 38.385 39.257 -0.872 19390 938 1 4 . 1 1 29 29 ASN H H 29 8.761 8.761 9.019 -0.258 19390 939 1 4 . 1 1 30 30 PRO HA H 30 5.220 5.220 5.020 0.200 19390 940 1 4 . 1 1 30 30 PRO CA C 30 62.660 62.660 62.547 0.113 19390 941 1 4 . 1 1 30 30 PRO CB C 30 32.898 32.898 32.667 0.231 19390 942 1 4 . 1 1 31 31 SER N N 31 116.249 116.249 117.441 -1.192 19390 943 1 4 . 1 1 31 31 SER HA H 31 4.675 4.675 4.905 -0.230 19390 944 1 4 . 1 1 31 31 SER CA C 31 57.027 57.027 57.329 -0.302 19390 945 1 4 . 1 1 31 31 SER CB C 31 65.495 65.495 64.469 1.026 19390 946 1 4 . 1 1 31 31 SER H H 31 8.859 8.859 8.868 -0.009 19390 947 1 4 . 1 1 32 32 LEU N N 32 123.992 123.992 125.114 -1.122 19390 948 1 4 . 1 1 32 32 LEU HA H 32 4.910 4.910 5.001 -0.091 19390 949 1 4 . 1 1 32 32 LEU CA C 32 54.226 54.226 53.672 0.554 19390 950 1 4 . 1 1 32 32 LEU CB C 32 44.693 44.693 44.956 -0.263 19390 951 1 4 . 1 1 32 32 LEU H H 32 7.566 7.566 8.398 -0.832 19390 952 1 4 . 1 1 33 33 SER N N 33 120.489 120.489 123.428 -2.939 19390 953 1 4 . 1 1 33 33 SER HA H 33 4.750 4.750 4.804 -0.054 19390 954 1 4 . 1 1 33 33 SER CA C 33 57.236 57.236 56.734 0.502 19390 955 1 4 . 1 1 33 33 SER CB C 33 65.138 65.138 64.797 0.341 19390 956 1 4 . 1 1 33 33 SER H H 33 8.723 8.723 9.039 -0.316 19390 957 1 4 . 1 1 34 34 VAL N N 34 124.737 124.737 126.521 -1.784 19390 958 1 4 . 1 1 34 34 VAL HA H 34 5.290 5.290 5.409 -0.119 19390 959 1 4 . 1 1 34 34 VAL CA C 34 61.163 61.163 60.795 0.367 19390 960 1 4 . 1 1 34 34 VAL CB C 34 33.901 33.901 34.200 -0.299 19390 961 1 4 . 1 1 34 34 VAL H H 34 8.296 8.296 8.611 -0.315 19390 962 1 4 . 1 1 35 35 ILE N N 35 125.451 125.451 127.371 -1.920 19390 963 1 4 . 1 1 35 35 ILE HA H 35 5.040 5.040 4.785 0.255 19390 964 1 4 . 1 1 35 35 ILE CA C 35 57.790 57.790 57.939 -0.149 19390 965 1 4 . 1 1 35 35 ILE CB C 35 42.244 42.244 40.891 1.353 19390 966 1 4 . 1 1 35 35 ILE H H 35 8.920 8.920 8.862 0.058 19390 967 1 4 . 1 1 36 36 PRO HA H 36 4.117 4.117 4.299 -0.182 19390 968 1 4 . 1 1 36 36 PRO CA C 36 63.249 63.249 62.331 0.918 19390 969 1 4 . 1 1 36 36 PRO CB C 36 32.044 32.044 32.108 -0.064 19390 970 1 4 . 1 1 37 37 SER N N 37 116.872 116.872 116.834 0.038 19390 971 1 4 . 1 1 37 37 SER HA H 37 3.672 3.672 4.139 -0.467 19390 972 1 4 . 1 1 37 37 SER CA C 37 60.172 60.172 60.069 0.103 19390 973 1 4 . 1 1 37 37 SER CB C 37 63.252 63.252 63.532 -0.280 19390 974 1 4 . 1 1 37 37 SER H H 37 7.847 7.847 8.390 -0.543 19390 975 1 4 . 1 1 38 38 ASN N N 38 117.181 117.181 119.062 -1.881 19390 976 1 4 . 1 1 38 38 ASN HA H 38 5.087 5.087 5.191 -0.104 19390 977 1 4 . 1 1 38 38 ASN CA C 38 50.363 50.363 50.136 0.227 19390 978 1 4 . 1 1 38 38 ASN CB C 38 39.385 39.385 39.990 -0.606 19390 979 1 4 . 1 1 38 38 ASN H H 38 7.951 7.951 7.536 0.415 19390 980 1 4 . 1 1 39 39 PRO HA H 39 4.227 4.227 4.235 -0.008 19390 981 1 4 . 1 1 39 39 PRO CA C 39 64.374 64.374 64.483 -0.109 19390 982 1 4 . 1 1 39 39 PRO CB C 39 32.088 32.088 31.902 0.186 19390 983 1 4 . 1 1 40 40 TYR N N 40 118.056 118.056 117.323 0.733 19390 984 1 4 . 1 1 40 40 TYR HA H 40 4.509 4.509 4.969 -0.460 19390 985 1 4 . 1 1 40 40 TYR CA C 40 58.814 58.814 59.331 -0.517 19390 986 1 4 . 1 1 40 40 TYR CB C 40 37.907 37.907 37.592 0.315 19390 987 1 4 . 1 1 40 40 TYR H H 40 7.818 7.818 8.359 -0.541 19390 988 1 4 . 1 1 41 41 GLN N N 41 118.923 118.923 119.509 -0.586 19390 989 1 4 . 1 1 41 41 GLN HA H 41 4.085 4.085 4.025 0.060 19390 990 1 4 . 1 1 41 41 GLN CA C 41 56.997 56.997 58.426 -1.429 19390 991 1 4 . 1 1 41 41 GLN CB C 41 29.359 29.359 27.874 1.485 19390 992 1 4 . 1 1 41 41 GLN H H 41 7.537 7.537 7.884 -0.347 19390 993 1 4 . 1 1 42 42 GLU N N 42 121.556 121.556 117.430 4.126 19390 994 1 4 . 1 1 42 42 GLU HA H 42 3.983 3.983 4.277 -0.294 19390 995 1 4 . 1 1 42 42 GLU CA C 42 58.700 58.700 58.706 -0.006 19390 996 1 4 . 1 1 42 42 GLU CB C 42 29.600 29.600 29.470 0.131 19390 997 1 4 . 1 1 42 42 GLU H H 42 8.294 8.294 7.771 0.523 19390 998 1 4 . 1 1 43 43 GLN N N 43 117.353 117.353 117.252 0.101 19390 999 1 4 . 1 1 43 43 GLN HA H 43 4.266 4.266 4.249 0.017 19390 1000 1 4 . 1 1 43 43 GLN CA C 43 56.668 56.668 57.941 -1.273 19390 1001 1 4 . 1 1 43 43 GLN CB C 43 29.038 29.038 29.461 -0.423 19390 1002 1 4 . 1 1 43 43 GLN H H 43 7.898 7.898 7.353 0.545 19390 1003 1 4 . 1 1 44 44 LEU N N 44 120.635 120.635 122.896 -2.261 19390 1004 1 4 . 1 1 44 44 LEU HA H 44 4.365 4.365 4.412 -0.047 19390 1005 1 4 . 1 1 44 44 LEU CA C 44 54.935 54.935 53.523 1.412 19390 1006 1 4 . 1 1 44 44 LEU CB C 44 42.453 42.453 40.135 2.318 19390 1007 1 4 . 1 1 44 44 LEU H H 44 7.613 7.613 8.167 -0.554 19390 1008 1 4 . 1 1 45 45 SER N N 45 114.883 114.883 115.528 -0.645 19390 1009 1 4 . 1 1 45 45 SER HA H 45 4.273 4.273 4.174 0.099 19390 1010 1 4 . 1 1 45 45 SER CA C 45 59.272 59.272 57.885 1.387 19390 1011 1 4 . 1 1 45 45 SER CB C 45 63.636 63.636 62.606 1.030 19390 1012 1 4 . 1 1 45 45 SER H H 45 7.696 7.696 7.953 -0.257 19390 1013 1 4 . 1 1 46 46 ASP N N 46 122.467 122.467 123.692 -1.225 19390 1014 1 4 . 1 1 46 46 ASP HA H 46 4.762 4.762 4.598 0.164 19390 1015 1 4 . 1 1 46 46 ASP CA C 46 53.897 53.897 55.604 -1.707 19390 1016 1 4 . 1 1 46 46 ASP CB C 46 41.083 41.083 41.477 -0.395 19390 1017 1 4 . 1 1 46 46 ASP H H 46 8.352 8.352 8.400 -0.048 19390 1018 1 4 . 1 1 47 47 THR N N 47 113.208 113.208 113.285 -0.077 19390 1019 1 4 . 1 1 47 47 THR HA H 47 4.708 4.708 4.732 -0.024 19390 1020 1 4 . 1 1 47 47 THR CA C 47 59.767 59.767 59.095 0.672 19390 1021 1 4 . 1 1 47 47 THR CB C 47 69.342 69.342 70.461 -1.119 19390 1022 1 4 . 1 1 47 47 THR H H 47 7.696 7.696 7.747 -0.051 19390 1023 1 4 . 1 1 48 48 PRO HA H 48 4.459 4.459 4.679 -0.220 19390 1024 1 4 . 1 1 48 48 PRO CA C 48 63.397 63.397 62.470 0.927 19390 1025 1 4 . 1 1 48 48 PRO CB C 48 32.484 32.484 32.699 -0.215 19390 1026 1 4 . 1 1 49 49 LEU N N 49 121.960 121.960 121.477 0.483 19390 1027 1 4 . 1 1 49 49 LEU HA H 49 4.346 4.346 4.603 -0.257 19390 1028 1 4 . 1 1 49 49 LEU CA C 49 54.134 54.134 54.093 0.042 19390 1029 1 4 . 1 1 49 49 LEU CB C 49 43.308 43.308 43.121 0.187 19390 1030 1 4 . 1 1 49 49 LEU H H 49 8.114 8.114 8.400 -0.286 19390 1031 1 4 . 1 1 50 50 ILE N N 50 126.325 126.325 124.948 1.377 19390 1032 1 4 . 1 1 50 50 ILE HA H 50 4.485 4.485 4.557 -0.072 19390 1033 1 4 . 1 1 50 50 ILE CA C 50 58.184 58.184 58.264 -0.080 19390 1034 1 4 . 1 1 50 50 ILE CB C 50 40.050 40.050 39.497 0.553 19390 1035 1 4 . 1 1 50 50 ILE H H 50 9.351 9.351 8.953 0.398 19390 1036 1 4 . 1 1 51 51 PRO HA H 51 4.940 4.940 4.837 0.103 19390 1037 1 4 . 1 1 51 51 PRO CA C 51 61.995 61.995 62.324 -0.329 19390 1038 1 4 . 1 1 51 51 PRO CB C 51 32.280 32.280 32.220 0.060 19390 1039 1 4 . 1 1 52 52 LEU N N 52 121.794 121.794 126.334 -4.540 19390 1040 1 4 . 1 1 52 52 LEU HA H 52 5.265 5.265 4.517 0.748 19390 1041 1 4 . 1 1 52 52 LEU CA C 52 54.361 54.361 54.593 -0.232 19390 1042 1 4 . 1 1 52 52 LEU CB C 52 46.108 46.108 45.536 0.572 19390 1043 1 4 . 1 1 52 52 LEU H H 52 8.875 8.875 8.997 -0.122 19390 1044 1 4 . 1 1 53 53 THR N N 53 118.726 118.726 120.109 -1.383 19390 1045 1 4 . 1 1 53 53 THR HA H 53 4.922 4.922 4.710 0.212 19390 1046 1 4 . 1 1 53 53 THR CA C 53 62.427 62.427 61.759 0.668 19390 1047 1 4 . 1 1 53 53 THR CB C 53 70.731 70.731 69.164 1.567 19390 1048 1 4 . 1 1 53 53 THR H H 53 8.827 8.827 8.308 0.519 19390 1049 1 4 . 1 1 54 54 ILE N N 54 125.500 125.500 127.957 -2.457 19390 1050 1 4 . 1 1 54 54 ILE HA H 54 4.962 4.962 4.416 0.546 19390 1051 1 4 . 1 1 54 54 ILE CA C 54 60.527 60.527 60.389 0.138 19390 1052 1 4 . 1 1 54 54 ILE CB C 54 40.830 40.830 39.867 0.963 19390 1053 1 4 . 1 1 54 54 ILE H H 54 9.116 9.116 8.975 0.141 19390 1054 1 4 . 1 1 55 55 PHE N N 55 126.244 126.244 126.551 -0.307 19390 1055 1 4 . 1 1 55 55 PHE HA H 55 5.386 5.386 5.310 0.076 19390 1056 1 4 . 1 1 55 55 PHE CA C 55 55.759 55.759 56.672 -0.914 19390 1057 1 4 . 1 1 55 55 PHE CB C 55 41.193 41.193 40.942 0.251 19390 1058 1 4 . 1 1 55 55 PHE H H 55 9.348 9.348 8.816 0.532 19390 1059 1 4 . 1 1 56 56 VAL N N 56 123.920 123.920 124.038 -0.118 19390 1060 1 4 . 1 1 56 56 VAL HA H 56 4.614 4.614 4.198 0.416 19390 1061 1 4 . 1 1 56 56 VAL CA C 56 62.066 62.066 61.862 0.204 19390 1062 1 4 . 1 1 56 56 VAL CB C 56 32.730 32.730 32.847 -0.117 19390 1063 1 4 . 1 1 56 56 VAL H H 56 8.424 8.424 8.764 -0.340 19390 1064 1 4 . 1 1 57 57 GLY N N 57 113.280 113.280 114.194 -0.914 19390 1065 1 4 . 1 1 57 57 GLY CA C 57 44.513 44.513 44.512 0.001 19390 1066 1 4 . 1 1 57 57 GLY H H 57 8.483 8.483 8.520 -0.037 19390 1067 1 4 . 1 1 58 58 GLU N N 58 118.539 118.539 124.522 -5.983 19390 1068 1 4 . 1 1 58 58 GLU HA H 58 4.412 4.412 4.228 0.184 19390 1069 1 4 . 1 1 58 58 GLU CA C 58 56.298 56.298 55.791 0.507 19390 1070 1 4 . 1 1 58 58 GLU CB C 58 31.404 31.404 28.651 2.753 19390 1071 1 4 . 1 1 58 58 GLU H H 58 8.283 8.283 8.678 -0.395 19390 1072 1 4 . 1 1 59 59 ASN N N 59 120.870 120.870 124.141 -3.271 19390 1073 1 4 . 1 1 59 59 ASN HA H 59 4.852 4.852 4.533 0.319 19390 1074 1 4 . 1 1 59 59 ASN CA C 59 53.120 53.120 54.419 -1.299 19390 1075 1 4 . 1 1 59 59 ASN CB C 59 39.150 39.150 38.578 0.572 19390 1076 1 4 . 1 1 59 59 ASN H H 59 8.530 8.530 8.442 0.088 19390 1077 1 4 . 1 1 60 60 THR N N 60 114.187 114.187 115.976 -1.789 19390 1078 1 4 . 1 1 60 60 THR HA H 60 4.358 4.358 4.630 -0.272 19390 1079 1 4 . 1 1 60 60 THR CA C 60 62.086 62.086 61.349 0.737 19390 1080 1 4 . 1 1 60 60 THR CB C 60 69.713 69.713 70.482 -0.769 19390 1081 1 4 . 1 1 60 60 THR H H 60 8.161 8.161 8.166 -0.005 19390 1082 1 4 . 1 1 61 61 GLY N N 61 111.003 111.003 113.530 -2.527 19390 1083 1 4 . 1 1 61 61 GLY CA C 61 45.690 45.690 44.971 0.718 19390 1084 1 4 . 1 1 61 61 GLY H H 61 8.280 8.280 8.554 -0.274 19390 1085 1 5 . 1 1 2 2 ALA HA H 2 4.391 4.391 4.525 -0.134 19390 1086 1 5 . 1 1 2 2 ALA CA C 2 52.919 52.919 51.898 1.021 19390 1087 1 5 . 1 1 2 2 ALA CB C 2 19.616 19.616 17.240 2.376 19390 1088 1 5 . 1 1 3 3 MET HA H 3 4.488 4.488 4.426 0.062 19390 1089 1 5 . 1 1 3 3 MET CA C 3 55.738 55.738 57.122 -1.384 19390 1090 1 5 . 1 1 4 4 GLU N N 4 121.531 121.531 121.438 0.093 19390 1091 1 5 . 1 1 4 4 GLU HA H 4 4.365 4.365 4.456 -0.091 19390 1092 1 5 . 1 1 4 4 GLU CA C 4 56.625 56.625 55.211 1.414 19390 1093 1 5 . 1 1 4 4 GLU CB C 4 30.398 30.398 29.475 0.923 19390 1094 1 5 . 1 1 4 4 GLU H H 4 8.288 8.288 8.270 0.018 19390 1095 1 5 . 1 1 5 5 MET N N 5 121.777 121.777 123.007 -1.230 19390 1096 1 5 . 1 1 5 5 MET HA H 5 4.877 4.877 4.985 -0.108 19390 1097 1 5 . 1 1 5 5 MET CA C 5 53.509 53.509 53.458 0.051 19390 1098 1 5 . 1 1 5 5 MET CB C 5 33.467 33.467 31.926 1.541 19390 1099 1 5 . 1 1 5 5 MET H H 5 8.139 8.139 8.124 0.015 19390 1100 1 5 . 1 1 6 6 PRO HA H 6 4.335 4.335 4.430 -0.095 19390 1101 1 5 . 1 1 6 6 PRO CA C 6 63.752 63.752 63.120 0.632 19390 1102 1 5 . 1 1 6 6 PRO CB C 6 31.890 31.890 31.892 -0.002 19390 1103 1 5 . 1 1 7 7 THR N N 7 117.518 117.518 118.325 -0.807 19390 1104 1 5 . 1 1 7 7 THR HA H 7 4.882 4.882 4.781 0.101 19390 1105 1 5 . 1 1 7 7 THR CA C 7 61.507 61.507 61.656 -0.149 19390 1106 1 5 . 1 1 7 7 THR CB C 7 71.440 71.440 70.400 1.040 19390 1107 1 5 . 1 1 7 7 THR H H 7 7.598 7.598 7.906 -0.308 19390 1108 1 5 . 1 1 8 8 PHE N N 8 123.123 123.123 125.935 -2.812 19390 1109 1 5 . 1 1 8 8 PHE HA H 8 4.688 4.688 4.782 -0.094 19390 1110 1 5 . 1 1 8 8 PHE CA C 8 56.645 56.645 56.725 -0.080 19390 1111 1 5 . 1 1 8 8 PHE CB C 8 42.383 42.383 42.736 -0.353 19390 1112 1 5 . 1 1 8 8 PHE H H 8 8.939 8.939 9.211 -0.272 19390 1113 1 5 . 1 1 9 9 TYR N N 9 122.356 122.356 125.039 -2.683 19390 1114 1 5 . 1 1 9 9 TYR HA H 9 5.334 5.334 5.334 0.000 19390 1115 1 5 . 1 1 9 9 TYR CA C 9 56.921 56.921 56.796 0.125 19390 1116 1 5 . 1 1 9 9 TYR CB C 9 40.008 40.008 40.558 -0.550 19390 1117 1 5 . 1 1 9 9 TYR H H 9 8.503 8.503 8.495 0.008 19390 1118 1 5 . 1 1 10 10 LEU N N 10 124.441 124.441 124.183 0.258 19390 1119 1 5 . 1 1 10 10 LEU HA H 10 4.687 4.687 4.993 -0.306 19390 1120 1 5 . 1 1 10 10 LEU CA C 10 53.736 53.736 52.791 0.945 19390 1121 1 5 . 1 1 10 10 LEU CB C 10 46.193 46.193 46.080 0.113 19390 1122 1 5 . 1 1 10 10 LEU H H 10 8.716 8.716 8.527 0.189 19390 1123 1 5 . 1 1 11 11 ALA N N 11 123.556 123.556 122.822 0.734 19390 1124 1 5 . 1 1 11 11 ALA HA H 11 4.906 4.906 5.266 -0.360 19390 1125 1 5 . 1 1 11 11 ALA CA C 11 51.631 51.631 50.945 0.686 19390 1126 1 5 . 1 1 11 11 ALA CB C 11 20.073 20.073 20.577 -0.504 19390 1127 1 5 . 1 1 11 11 ALA H H 11 8.104 8.104 8.202 -0.098 19390 1128 1 5 . 1 1 12 12 LEU N N 12 121.796 121.796 123.895 -2.099 19390 1129 1 5 . 1 1 12 12 LEU HA H 12 4.502 4.502 4.341 0.161 19390 1130 1 5 . 1 1 12 12 LEU CA C 12 53.050 53.050 53.259 -0.209 19390 1131 1 5 . 1 1 12 12 LEU CB C 12 43.624 43.624 45.501 -1.877 19390 1132 1 5 . 1 1 12 12 LEU H H 12 8.004 8.004 8.725 -0.721 19390 1133 1 5 . 1 1 13 13 HIS N N 13 118.912 118.912 120.998 -2.086 19390 1134 1 5 . 1 1 13 13 HIS HA H 13 4.758 4.758 4.956 -0.198 19390 1135 1 5 . 1 1 13 13 HIS CA C 13 56.865 56.865 56.666 0.199 19390 1136 1 5 . 1 1 13 13 HIS CB C 13 29.731 29.731 30.461 -0.730 19390 1137 1 5 . 1 1 13 13 HIS H H 13 8.659 8.659 8.736 -0.077 19390 1138 1 5 . 1 1 14 14 GLY N N 14 111.509 111.509 112.488 -0.979 19390 1139 1 5 . 1 1 14 14 GLY CA C 14 46.332 46.332 46.584 -0.252 19390 1140 1 5 . 1 1 14 14 GLY H H 14 8.880 8.880 8.514 0.366 19390 1141 1 5 . 1 1 15 15 GLY N N 15 111.541 111.541 113.824 -2.283 19390 1142 1 5 . 1 1 15 15 GLY CA C 15 46.391 46.391 44.742 1.649 19390 1143 1 5 . 1 1 15 15 GLY H H 15 9.276 9.276 8.587 0.689 19390 1144 1 5 . 1 1 16 16 GLN N N 16 118.322 118.322 120.647 -2.325 19390 1145 1 5 . 1 1 16 16 GLN HA H 16 4.499 4.499 4.509 -0.010 19390 1146 1 5 . 1 1 16 16 GLN CA C 16 54.139 54.139 55.134 -0.995 19390 1147 1 5 . 1 1 16 16 GLN CB C 16 30.522 30.522 30.128 0.394 19390 1148 1 5 . 1 1 16 16 GLN H H 16 7.376 7.376 7.959 -0.583 19390 1149 1 5 . 1 1 17 17 THR N N 17 117.250 117.250 120.798 -3.548 19390 1150 1 5 . 1 1 17 17 THR HA H 17 4.662 4.662 4.570 0.092 19390 1151 1 5 . 1 1 17 17 THR CA C 17 63.671 63.671 61.961 1.710 19390 1152 1 5 . 1 1 17 17 THR CB C 17 68.939 68.939 69.457 -0.518 19390 1153 1 5 . 1 1 17 17 THR H H 17 8.379 8.379 8.553 -0.174 19390 1154 1 5 . 1 1 18 18 TYR N N 18 127.800 127.800 123.118 4.682 19390 1155 1 5 . 1 1 18 18 TYR HA H 18 4.737 4.737 4.969 -0.232 19390 1156 1 5 . 1 1 18 18 TYR CA C 18 57.312 57.312 56.983 0.329 19390 1157 1 5 . 1 1 18 18 TYR CB C 18 41.411 41.411 42.953 -1.542 19390 1158 1 5 . 1 1 18 18 TYR H H 18 9.556 9.556 8.674 0.882 19390 1159 1 5 . 1 1 19 19 HIS N N 19 121.884 121.884 121.643 0.241 19390 1160 1 5 . 1 1 19 19 HIS HA H 19 5.579 5.579 4.753 0.826 19390 1161 1 5 . 1 1 19 19 HIS CA C 19 54.290 54.290 55.221 -0.931 19390 1162 1 5 . 1 1 19 19 HIS CB C 19 31.704 31.704 31.321 0.383 19390 1163 1 5 . 1 1 19 19 HIS H H 19 9.676 9.676 9.350 0.326 19390 1164 1 5 . 1 1 20 20 LEU N N 20 127.685 127.685 128.146 -0.461 19390 1165 1 5 . 1 1 20 20 LEU HA H 20 5.434 5.434 5.266 0.168 19390 1166 1 5 . 1 1 20 20 LEU CA C 20 54.056 54.056 54.028 0.028 19390 1167 1 5 . 1 1 20 20 LEU CB C 20 45.997 45.997 43.834 2.163 19390 1168 1 5 . 1 1 20 20 LEU H H 20 9.590 9.590 8.656 0.934 19390 1169 1 5 . 1 1 21 21 ILE N N 21 125.555 125.555 129.244 -3.689 19390 1170 1 5 . 1 1 21 21 ILE HA H 21 4.642 4.642 4.430 0.212 19390 1171 1 5 . 1 1 21 21 ILE CA C 21 61.529 61.529 60.644 0.885 19390 1172 1 5 . 1 1 21 21 ILE CB C 21 42.522 42.522 41.429 1.093 19390 1173 1 5 . 1 1 21 21 ILE H H 21 8.791 8.791 9.017 -0.226 19390 1174 1 5 . 1 1 22 22 VAL N N 22 128.302 128.302 128.039 0.263 19390 1175 1 5 . 1 1 22 22 VAL HA H 22 5.014 5.014 5.256 -0.242 19390 1176 1 5 . 1 1 22 22 VAL CA C 22 59.804 59.804 59.720 0.084 19390 1177 1 5 . 1 1 22 22 VAL CB C 22 33.977 33.977 34.296 -0.319 19390 1178 1 5 . 1 1 22 22 VAL H H 22 9.741 9.741 8.329 1.412 19390 1179 1 5 . 1 1 23 23 ASP N N 23 126.317 126.317 127.288 -0.971 19390 1180 1 5 . 1 1 23 23 ASP HA H 23 4.958 4.958 5.059 -0.101 19390 1181 1 5 . 1 1 23 23 ASP CA C 23 52.823 52.823 52.861 -0.038 19390 1182 1 5 . 1 1 23 23 ASP CB C 23 44.752 44.752 44.675 0.077 19390 1183 1 5 . 1 1 23 23 ASP H H 23 8.595 8.595 8.956 -0.361 19390 1184 1 5 . 1 1 24 24 THR N N 24 111.217 111.217 110.444 0.773 19390 1185 1 5 . 1 1 24 24 THR HA H 24 5.053 5.053 5.260 -0.207 19390 1186 1 5 . 1 1 24 24 THR CA C 24 60.370 60.370 60.057 0.313 19390 1187 1 5 . 1 1 24 24 THR CB C 24 71.606 71.606 71.701 -0.095 19390 1188 1 5 . 1 1 24 24 THR H H 24 8.769 8.769 8.265 0.504 19390 1189 1 5 . 1 1 25 25 ASP N N 25 122.678 122.678 123.531 -0.853 19390 1190 1 5 . 1 1 25 25 ASP HA H 25 4.815 4.815 4.701 0.114 19390 1191 1 5 . 1 1 25 25 ASP CA C 25 52.701 52.701 53.172 -0.471 19390 1192 1 5 . 1 1 25 25 ASP CB C 25 41.548 41.548 41.942 -0.394 19390 1193 1 5 . 1 1 25 25 ASP H H 25 8.351 8.351 8.716 -0.365 19390 1194 1 5 . 1 1 26 26 SER HA H 26 4.273 4.273 4.336 -0.063 19390 1195 1 5 . 1 1 26 26 SER CA C 26 61.172 61.172 60.113 1.059 19390 1196 1 5 . 1 1 26 26 SER CB C 26 63.171 63.171 63.168 0.003 19390 1197 1 5 . 1 1 27 27 LEU N N 27 121.798 121.798 120.002 1.796 19390 1198 1 5 . 1 1 27 27 LEU HA H 27 4.530 4.530 4.336 0.194 19390 1199 1 5 . 1 1 27 27 LEU CA C 27 54.639 54.639 55.301 -0.662 19390 1200 1 5 . 1 1 27 27 LEU CB C 27 42.333 42.333 42.566 -0.233 19390 1201 1 5 . 1 1 27 27 LEU H H 27 8.031 8.031 8.403 -0.372 19390 1202 1 5 . 1 1 28 28 GLY N N 28 107.680 107.680 104.624 3.056 19390 1203 1 5 . 1 1 28 28 GLY CA C 28 45.241 45.241 44.489 0.752 19390 1204 1 5 . 1 1 28 28 GLY H H 28 8.053 8.053 7.739 0.314 19390 1205 1 5 . 1 1 29 29 ASN N N 29 121.531 121.531 120.856 0.675 19390 1206 1 5 . 1 1 29 29 ASN HA H 29 5.084 5.084 5.220 -0.136 19390 1207 1 5 . 1 1 29 29 ASN CA C 29 51.422 51.422 51.261 0.161 19390 1208 1 5 . 1 1 29 29 ASN CB C 29 38.385 38.385 39.974 -1.589 19390 1209 1 5 . 1 1 29 29 ASN H H 29 8.761 8.761 9.120 -0.359 19390 1210 1 5 . 1 1 30 30 PRO HA H 30 5.220 5.220 5.274 -0.054 19390 1211 1 5 . 1 1 30 30 PRO CA C 30 62.660 62.660 62.390 0.270 19390 1212 1 5 . 1 1 30 30 PRO CB C 30 32.898 32.898 33.027 -0.129 19390 1213 1 5 . 1 1 31 31 SER N N 31 116.249 116.249 116.983 -0.734 19390 1214 1 5 . 1 1 31 31 SER HA H 31 4.675 4.675 4.921 -0.246 19390 1215 1 5 . 1 1 31 31 SER CA C 31 57.027 57.027 57.337 -0.310 19390 1216 1 5 . 1 1 31 31 SER CB C 31 65.495 65.495 64.730 0.765 19390 1217 1 5 . 1 1 31 31 SER H H 31 8.859 8.859 9.062 -0.203 19390 1218 1 5 . 1 1 32 32 LEU N N 32 123.992 123.992 126.275 -2.283 19390 1219 1 5 . 1 1 32 32 LEU HA H 32 4.910 4.910 5.047 -0.137 19390 1220 1 5 . 1 1 32 32 LEU CA C 32 54.226 54.226 53.738 0.488 19390 1221 1 5 . 1 1 32 32 LEU CB C 32 44.693 44.693 45.053 -0.360 19390 1222 1 5 . 1 1 32 32 LEU H H 32 7.566 7.566 8.632 -1.066 19390 1223 1 5 . 1 1 33 33 SER N N 33 120.489 120.489 123.685 -3.196 19390 1224 1 5 . 1 1 33 33 SER HA H 33 4.750 4.750 4.837 -0.087 19390 1225 1 5 . 1 1 33 33 SER CA C 33 57.236 57.236 57.011 0.225 19390 1226 1 5 . 1 1 33 33 SER CB C 33 65.138 65.138 64.361 0.777 19390 1227 1 5 . 1 1 33 33 SER H H 33 8.723 8.723 9.226 -0.503 19390 1228 1 5 . 1 1 34 34 VAL N N 34 124.737 124.737 127.073 -2.336 19390 1229 1 5 . 1 1 34 34 VAL HA H 34 5.290 5.290 5.475 -0.185 19390 1230 1 5 . 1 1 34 34 VAL CA C 34 61.163 61.163 60.764 0.399 19390 1231 1 5 . 1 1 34 34 VAL CB C 34 33.901 33.901 34.299 -0.398 19390 1232 1 5 . 1 1 34 34 VAL H H 34 8.296 8.296 8.607 -0.311 19390 1233 1 5 . 1 1 35 35 ILE N N 35 125.451 125.451 126.617 -1.166 19390 1234 1 5 . 1 1 35 35 ILE HA H 35 5.040 5.040 4.811 0.229 19390 1235 1 5 . 1 1 35 35 ILE CA C 35 57.790 57.790 57.794 -0.004 19390 1236 1 5 . 1 1 35 35 ILE CB C 35 42.244 42.244 41.242 1.002 19390 1237 1 5 . 1 1 35 35 ILE H H 35 8.920 8.920 8.875 0.045 19390 1238 1 5 . 1 1 36 36 PRO HA H 36 4.117 4.117 4.180 -0.063 19390 1239 1 5 . 1 1 36 36 PRO CA C 36 63.249 63.249 62.723 0.526 19390 1240 1 5 . 1 1 36 36 PRO CB C 36 32.044 32.044 31.579 0.465 19390 1241 1 5 . 1 1 37 37 SER N N 37 116.872 116.872 119.213 -2.341 19390 1242 1 5 . 1 1 37 37 SER HA H 37 3.672 3.672 4.154 -0.482 19390 1243 1 5 . 1 1 37 37 SER CA C 37 60.172 60.172 60.532 -0.360 19390 1244 1 5 . 1 1 37 37 SER CB C 37 63.252 63.252 63.485 -0.233 19390 1245 1 5 . 1 1 37 37 SER H H 37 7.847 7.847 8.767 -0.920 19390 1246 1 5 . 1 1 38 38 ASN N N 38 117.181 117.181 119.479 -2.298 19390 1247 1 5 . 1 1 38 38 ASN HA H 38 5.087 5.087 5.169 -0.082 19390 1248 1 5 . 1 1 38 38 ASN CA C 38 50.363 50.363 51.113 -0.750 19390 1249 1 5 . 1 1 38 38 ASN CB C 38 39.385 39.385 39.200 0.184 19390 1250 1 5 . 1 1 38 38 ASN H H 38 7.951 7.951 7.638 0.313 19390 1251 1 5 . 1 1 39 39 PRO HA H 39 4.227 4.227 4.201 0.026 19390 1252 1 5 . 1 1 39 39 PRO CA C 39 64.374 64.374 64.675 -0.301 19390 1253 1 5 . 1 1 39 39 PRO CB C 39 32.088 32.088 31.862 0.226 19390 1254 1 5 . 1 1 40 40 TYR N N 40 118.056 118.056 116.481 1.575 19390 1255 1 5 . 1 1 40 40 TYR HA H 40 4.509 4.509 4.369 0.140 19390 1256 1 5 . 1 1 40 40 TYR CA C 40 58.814 58.814 60.400 -1.585 19390 1257 1 5 . 1 1 40 40 TYR CB C 40 37.907 37.907 37.336 0.571 19390 1258 1 5 . 1 1 40 40 TYR H H 40 7.818 7.818 7.860 -0.042 19390 1259 1 5 . 1 1 41 41 GLN N N 41 118.923 118.923 119.299 -0.376 19390 1260 1 5 . 1 1 41 41 GLN HA H 41 4.085 4.085 4.023 0.062 19390 1261 1 5 . 1 1 41 41 GLN CA C 41 56.997 56.997 59.017 -2.020 19390 1262 1 5 . 1 1 41 41 GLN CB C 41 29.359 29.359 27.752 1.607 19390 1263 1 5 . 1 1 41 41 GLN H H 41 7.537 7.537 7.780 -0.243 19390 1264 1 5 . 1 1 42 42 GLU N N 42 121.556 121.556 116.326 5.230 19390 1265 1 5 . 1 1 42 42 GLU HA H 42 3.983 3.983 4.232 -0.249 19390 1266 1 5 . 1 1 42 42 GLU CA C 42 58.700 58.700 58.453 0.247 19390 1267 1 5 . 1 1 42 42 GLU CB C 42 29.600 29.600 29.006 0.594 19390 1268 1 5 . 1 1 42 42 GLU H H 42 8.294 8.294 7.905 0.389 19390 1269 1 5 . 1 1 43 43 GLN N N 43 117.353 117.353 118.650 -1.297 19390 1270 1 5 . 1 1 43 43 GLN HA H 43 4.266 4.266 4.333 -0.067 19390 1271 1 5 . 1 1 43 43 GLN CA C 43 56.668 56.668 57.345 -0.677 19390 1272 1 5 . 1 1 43 43 GLN CB C 43 29.038 29.038 29.446 -0.408 19390 1273 1 5 . 1 1 43 43 GLN H H 43 7.898 7.898 7.406 0.492 19390 1274 1 5 . 1 1 44 44 LEU N N 44 120.635 120.635 122.565 -1.930 19390 1275 1 5 . 1 1 44 44 LEU HA H 44 4.365 4.365 4.427 -0.062 19390 1276 1 5 . 1 1 44 44 LEU CA C 44 54.935 54.935 53.604 1.331 19390 1277 1 5 . 1 1 44 44 LEU CB C 44 42.453 42.453 40.529 1.924 19390 1278 1 5 . 1 1 44 44 LEU H H 44 7.613 7.613 8.139 -0.526 19390 1279 1 5 . 1 1 45 45 SER N N 45 114.883 114.883 116.576 -1.693 19390 1280 1 5 . 1 1 45 45 SER HA H 45 4.273 4.273 4.249 0.024 19390 1281 1 5 . 1 1 45 45 SER CA C 45 59.272 59.272 58.633 0.639 19390 1282 1 5 . 1 1 45 45 SER CB C 45 63.636 63.636 62.292 1.344 19390 1283 1 5 . 1 1 45 45 SER H H 45 7.696 7.696 7.658 0.038 19390 1284 1 5 . 1 1 46 46 ASP N N 46 122.467 122.467 125.316 -2.849 19390 1285 1 5 . 1 1 46 46 ASP HA H 46 4.762 4.762 4.736 0.026 19390 1286 1 5 . 1 1 46 46 ASP CA C 46 53.897 53.897 54.748 -0.851 19390 1287 1 5 . 1 1 46 46 ASP CB C 46 41.083 41.083 41.718 -0.635 19390 1288 1 5 . 1 1 46 46 ASP H H 46 8.352 8.352 8.263 0.089 19390 1289 1 5 . 1 1 47 47 THR N N 47 113.208 113.208 112.636 0.572 19390 1290 1 5 . 1 1 47 47 THR HA H 47 4.708 4.708 4.705 0.003 19390 1291 1 5 . 1 1 47 47 THR CA C 47 59.767 59.767 58.596 1.171 19390 1292 1 5 . 1 1 47 47 THR CB C 47 69.342 69.342 70.344 -1.002 19390 1293 1 5 . 1 1 47 47 THR H H 47 7.696 7.696 7.442 0.254 19390 1294 1 5 . 1 1 48 48 PRO HA H 48 4.459 4.459 4.634 -0.175 19390 1295 1 5 . 1 1 48 48 PRO CA C 48 63.397 63.397 62.524 0.873 19390 1296 1 5 . 1 1 48 48 PRO CB C 48 32.484 32.484 32.660 -0.176 19390 1297 1 5 . 1 1 49 49 LEU N N 49 121.960 121.960 122.752 -0.792 19390 1298 1 5 . 1 1 49 49 LEU HA H 49 4.346 4.346 4.550 -0.204 19390 1299 1 5 . 1 1 49 49 LEU CA C 49 54.134 54.134 54.197 -0.063 19390 1300 1 5 . 1 1 49 49 LEU CB C 49 43.308 43.308 42.760 0.548 19390 1301 1 5 . 1 1 49 49 LEU H H 49 8.114 8.114 8.473 -0.359 19390 1302 1 5 . 1 1 50 50 ILE N N 50 126.325 126.325 126.097 0.228 19390 1303 1 5 . 1 1 50 50 ILE HA H 50 4.485 4.485 4.493 -0.008 19390 1304 1 5 . 1 1 50 50 ILE CA C 50 58.184 58.184 58.408 -0.224 19390 1305 1 5 . 1 1 50 50 ILE CB C 50 40.050 40.050 39.199 0.851 19390 1306 1 5 . 1 1 50 50 ILE H H 50 9.351 9.351 8.985 0.366 19390 1307 1 5 . 1 1 51 51 PRO HA H 51 4.940 4.940 4.824 0.116 19390 1308 1 5 . 1 1 51 51 PRO CA C 51 61.995 61.995 62.149 -0.154 19390 1309 1 5 . 1 1 51 51 PRO CB C 51 32.280 32.280 32.172 0.108 19390 1310 1 5 . 1 1 52 52 LEU N N 52 121.794 121.794 126.592 -4.798 19390 1311 1 5 . 1 1 52 52 LEU HA H 52 5.265 5.265 4.535 0.730 19390 1312 1 5 . 1 1 52 52 LEU CA C 52 54.361 54.361 54.550 -0.189 19390 1313 1 5 . 1 1 52 52 LEU CB C 52 46.108 46.108 45.477 0.631 19390 1314 1 5 . 1 1 52 52 LEU H H 52 8.875 8.875 8.946 -0.071 19390 1315 1 5 . 1 1 53 53 THR N N 53 118.726 118.726 120.113 -1.387 19390 1316 1 5 . 1 1 53 53 THR HA H 53 4.922 4.922 4.867 0.055 19390 1317 1 5 . 1 1 53 53 THR CA C 53 62.427 62.427 61.928 0.499 19390 1318 1 5 . 1 1 53 53 THR CB C 53 70.731 70.731 69.306 1.425 19390 1319 1 5 . 1 1 53 53 THR H H 53 8.827 8.827 8.383 0.444 19390 1320 1 5 . 1 1 54 54 ILE N N 54 125.500 125.500 127.979 -2.479 19390 1321 1 5 . 1 1 54 54 ILE HA H 54 4.962 4.962 4.432 0.530 19390 1322 1 5 . 1 1 54 54 ILE CA C 54 60.527 60.527 60.448 0.079 19390 1323 1 5 . 1 1 54 54 ILE CB C 54 40.830 40.830 40.098 0.732 19390 1324 1 5 . 1 1 54 54 ILE H H 54 9.116 9.116 9.043 0.073 19390 1325 1 5 . 1 1 55 55 PHE N N 55 126.244 126.244 126.432 -0.188 19390 1326 1 5 . 1 1 55 55 PHE HA H 55 5.386 5.386 5.296 0.090 19390 1327 1 5 . 1 1 55 55 PHE CA C 55 55.759 55.759 56.764 -1.005 19390 1328 1 5 . 1 1 55 55 PHE CB C 55 41.193 41.193 40.822 0.371 19390 1329 1 5 . 1 1 55 55 PHE H H 55 9.348 9.348 8.859 0.489 19390 1330 1 5 . 1 1 56 56 VAL N N 56 123.920 123.920 126.144 -2.224 19390 1331 1 5 . 1 1 56 56 VAL HA H 56 4.614 4.614 4.241 0.373 19390 1332 1 5 . 1 1 56 56 VAL CA C 56 62.066 62.066 62.664 -0.598 19390 1333 1 5 . 1 1 56 56 VAL CB C 56 32.730 32.730 32.824 -0.094 19390 1334 1 5 . 1 1 56 56 VAL H H 56 8.424 8.424 8.371 0.053 19390 1335 1 5 . 1 1 57 57 GLY N N 57 113.280 113.280 113.336 -0.056 19390 1336 1 5 . 1 1 57 57 GLY CA C 57 44.513 44.513 44.607 -0.094 19390 1337 1 5 . 1 1 57 57 GLY H H 57 8.483 8.483 8.112 0.371 19390 1338 1 5 . 1 1 58 58 GLU N N 58 118.539 118.539 118.419 0.120 19390 1339 1 5 . 1 1 58 58 GLU HA H 58 4.412 4.412 4.341 0.071 19390 1340 1 5 . 1 1 58 58 GLU CA C 58 56.298 56.298 55.843 0.455 19390 1341 1 5 . 1 1 58 58 GLU CB C 58 31.404 31.404 30.314 1.090 19390 1342 1 5 . 1 1 58 58 GLU H H 58 8.283 8.283 8.405 -0.122 19390 1343 1 5 . 1 1 59 59 ASN N N 59 120.870 120.870 119.919 0.951 19390 1344 1 5 . 1 1 59 59 ASN HA H 59 4.852 4.852 4.924 -0.072 19390 1345 1 5 . 1 1 59 59 ASN CA C 59 53.120 53.120 53.347 -0.227 19390 1346 1 5 . 1 1 59 59 ASN CB C 59 39.150 39.150 39.200 -0.050 19390 1347 1 5 . 1 1 59 59 ASN H H 59 8.530 8.530 8.044 0.486 19390 1348 1 5 . 1 1 60 60 THR N N 60 114.187 114.187 120.372 -6.185 19390 1349 1 5 . 1 1 60 60 THR HA H 60 4.358 4.358 4.555 -0.197 19390 1350 1 5 . 1 1 60 60 THR CA C 60 62.086 62.086 62.379 -0.293 19390 1351 1 5 . 1 1 60 60 THR CB C 60 69.713 69.713 69.422 0.291 19390 1352 1 5 . 1 1 60 60 THR H H 60 8.161 8.161 8.592 -0.431 19390 1353 1 5 . 1 1 61 61 GLY N N 61 111.003 111.003 116.424 -5.421 19390 1354 1 5 . 1 1 61 61 GLY CA C 61 45.690 45.690 44.980 0.710 19390 1355 1 5 . 1 1 61 61 GLY H H 61 8.280 8.280 8.757 -0.477 19390 1356 1 6 . 1 1 2 2 ALA HA H 2 4.391 4.391 4.533 -0.142 19390 1357 1 6 . 1 1 2 2 ALA CA C 2 52.919 52.919 52.959 -0.040 19390 1358 1 6 . 1 1 2 2 ALA CB C 2 19.616 19.616 18.894 0.722 19390 1359 1 6 . 1 1 3 3 MET HA H 3 4.488 4.488 4.667 -0.179 19390 1360 1 6 . 1 1 3 3 MET CA C 3 55.738 55.738 54.923 0.815 19390 1361 1 6 . 1 1 4 4 GLU N N 4 121.531 121.531 123.024 -1.493 19390 1362 1 6 . 1 1 4 4 GLU HA H 4 4.365 4.365 4.514 -0.149 19390 1363 1 6 . 1 1 4 4 GLU CA C 4 56.625 56.625 56.251 0.374 19390 1364 1 6 . 1 1 4 4 GLU CB C 4 30.398 30.398 28.853 1.545 19390 1365 1 6 . 1 1 4 4 GLU H H 4 8.288 8.288 8.494 -0.206 19390 1366 1 6 . 1 1 5 5 MET N N 5 121.777 121.777 123.528 -1.751 19390 1367 1 6 . 1 1 5 5 MET HA H 5 4.877 4.877 4.949 -0.072 19390 1368 1 6 . 1 1 5 5 MET CA C 5 53.509 53.509 53.668 -0.159 19390 1369 1 6 . 1 1 5 5 MET CB C 5 33.467 33.467 31.974 1.492 19390 1370 1 6 . 1 1 5 5 MET H H 5 8.139 8.139 8.118 0.021 19390 1371 1 6 . 1 1 6 6 PRO HA H 6 4.335 4.335 4.416 -0.081 19390 1372 1 6 . 1 1 6 6 PRO CA C 6 63.752 63.752 63.131 0.621 19390 1373 1 6 . 1 1 6 6 PRO CB C 6 31.890 31.890 32.221 -0.331 19390 1374 1 6 . 1 1 7 7 THR N N 7 117.518 117.518 117.679 -0.161 19390 1375 1 6 . 1 1 7 7 THR HA H 7 4.882 4.882 4.819 0.063 19390 1376 1 6 . 1 1 7 7 THR CA C 7 61.507 61.507 61.304 0.203 19390 1377 1 6 . 1 1 7 7 THR CB C 7 71.440 71.440 70.940 0.500 19390 1378 1 6 . 1 1 7 7 THR H H 7 7.598 7.598 7.829 -0.231 19390 1379 1 6 . 1 1 8 8 PHE N N 8 123.123 123.123 124.384 -1.261 19390 1380 1 6 . 1 1 8 8 PHE HA H 8 4.688 4.688 4.766 -0.078 19390 1381 1 6 . 1 1 8 8 PHE CA C 8 56.645 56.645 56.691 -0.046 19390 1382 1 6 . 1 1 8 8 PHE CB C 8 42.383 42.383 42.889 -0.506 19390 1383 1 6 . 1 1 8 8 PHE H H 8 8.939 8.939 9.106 -0.167 19390 1384 1 6 . 1 1 9 9 TYR N N 9 122.356 122.356 123.817 -1.461 19390 1385 1 6 . 1 1 9 9 TYR HA H 9 5.334 5.334 5.403 -0.069 19390 1386 1 6 . 1 1 9 9 TYR CA C 9 56.921 56.921 56.699 0.222 19390 1387 1 6 . 1 1 9 9 TYR CB C 9 40.008 40.008 40.661 -0.653 19390 1388 1 6 . 1 1 9 9 TYR H H 9 8.503 8.503 8.422 0.081 19390 1389 1 6 . 1 1 10 10 LEU N N 10 124.441 124.441 124.059 0.382 19390 1390 1 6 . 1 1 10 10 LEU HA H 10 4.687 4.687 5.063 -0.376 19390 1391 1 6 . 1 1 10 10 LEU CA C 10 53.736 53.736 52.998 0.738 19390 1392 1 6 . 1 1 10 10 LEU CB C 10 46.193 46.193 46.124 0.069 19390 1393 1 6 . 1 1 10 10 LEU H H 10 8.716 8.716 8.718 -0.002 19390 1394 1 6 . 1 1 11 11 ALA N N 11 123.556 123.556 122.868 0.688 19390 1395 1 6 . 1 1 11 11 ALA HA H 11 4.906 4.906 5.438 -0.532 19390 1396 1 6 . 1 1 11 11 ALA CA C 11 51.631 51.631 50.939 0.692 19390 1397 1 6 . 1 1 11 11 ALA CB C 11 20.073 20.073 20.553 -0.480 19390 1398 1 6 . 1 1 11 11 ALA H H 11 8.104 8.104 8.235 -0.131 19390 1399 1 6 . 1 1 12 12 LEU N N 12 121.796 121.796 124.117 -2.321 19390 1400 1 6 . 1 1 12 12 LEU HA H 12 4.502 4.502 4.385 0.117 19390 1401 1 6 . 1 1 12 12 LEU CA C 12 53.050 53.050 53.360 -0.310 19390 1402 1 6 . 1 1 12 12 LEU CB C 12 43.624 43.624 45.487 -1.863 19390 1403 1 6 . 1 1 12 12 LEU H H 12 8.004 8.004 8.682 -0.678 19390 1404 1 6 . 1 1 13 13 HIS N N 13 118.912 118.912 121.047 -2.135 19390 1405 1 6 . 1 1 13 13 HIS HA H 13 4.758 4.758 4.893 -0.135 19390 1406 1 6 . 1 1 13 13 HIS CA C 13 56.865 56.865 56.557 0.308 19390 1407 1 6 . 1 1 13 13 HIS CB C 13 29.731 29.731 30.554 -0.823 19390 1408 1 6 . 1 1 13 13 HIS H H 13 8.659 8.659 8.939 -0.280 19390 1409 1 6 . 1 1 14 14 GLY N N 14 111.509 111.509 112.345 -0.836 19390 1410 1 6 . 1 1 14 14 GLY CA C 14 46.332 46.332 46.554 -0.222 19390 1411 1 6 . 1 1 14 14 GLY H H 14 8.880 8.880 8.482 0.398 19390 1412 1 6 . 1 1 15 15 GLY N N 15 111.541 111.541 114.140 -2.599 19390 1413 1 6 . 1 1 15 15 GLY CA C 15 46.391 46.391 44.715 1.676 19390 1414 1 6 . 1 1 15 15 GLY H H 15 9.276 9.276 8.524 0.752 19390 1415 1 6 . 1 1 16 16 GLN N N 16 118.322 118.322 120.548 -2.226 19390 1416 1 6 . 1 1 16 16 GLN HA H 16 4.499 4.499 4.542 -0.043 19390 1417 1 6 . 1 1 16 16 GLN CA C 16 54.139 54.139 54.491 -0.352 19390 1418 1 6 . 1 1 16 16 GLN CB C 16 30.522 30.522 29.923 0.599 19390 1419 1 6 . 1 1 16 16 GLN H H 16 7.376 7.376 7.974 -0.598 19390 1420 1 6 . 1 1 17 17 THR N N 17 117.250 117.250 118.313 -1.063 19390 1421 1 6 . 1 1 17 17 THR HA H 17 4.662 4.662 4.489 0.173 19390 1422 1 6 . 1 1 17 17 THR CA C 17 63.671 63.671 62.420 1.251 19390 1423 1 6 . 1 1 17 17 THR CB C 17 68.939 68.939 69.544 -0.605 19390 1424 1 6 . 1 1 17 17 THR H H 17 8.379 8.379 8.316 0.063 19390 1425 1 6 . 1 1 18 18 TYR N N 18 127.800 127.800 123.293 4.507 19390 1426 1 6 . 1 1 18 18 TYR HA H 18 4.737 4.737 4.980 -0.243 19390 1427 1 6 . 1 1 18 18 TYR CA C 18 57.312 57.312 57.038 0.273 19390 1428 1 6 . 1 1 18 18 TYR CB C 18 41.411 41.411 42.977 -1.566 19390 1429 1 6 . 1 1 18 18 TYR H H 18 9.556 9.556 8.612 0.944 19390 1430 1 6 . 1 1 19 19 HIS N N 19 121.884 121.884 121.764 0.120 19390 1431 1 6 . 1 1 19 19 HIS HA H 19 5.579 5.579 4.801 0.778 19390 1432 1 6 . 1 1 19 19 HIS CA C 19 54.290 54.290 55.533 -1.243 19390 1433 1 6 . 1 1 19 19 HIS CB C 19 31.704 31.704 31.449 0.255 19390 1434 1 6 . 1 1 19 19 HIS H H 19 9.676 9.676 9.381 0.295 19390 1435 1 6 . 1 1 20 20 LEU N N 20 127.685 127.685 128.194 -0.509 19390 1436 1 6 . 1 1 20 20 LEU HA H 20 5.434 5.434 5.163 0.271 19390 1437 1 6 . 1 1 20 20 LEU CA C 20 54.056 54.056 54.110 -0.054 19390 1438 1 6 . 1 1 20 20 LEU CB C 20 45.997 45.997 43.723 2.274 19390 1439 1 6 . 1 1 20 20 LEU H H 20 9.590 9.590 8.661 0.929 19390 1440 1 6 . 1 1 21 21 ILE N N 21 125.555 125.555 129.221 -3.666 19390 1441 1 6 . 1 1 21 21 ILE HA H 21 4.642 4.642 4.448 0.194 19390 1442 1 6 . 1 1 21 21 ILE CA C 21 61.529 61.529 60.636 0.892 19390 1443 1 6 . 1 1 21 21 ILE CB C 21 42.522 42.522 41.391 1.131 19390 1444 1 6 . 1 1 21 21 ILE H H 21 8.791 8.791 8.976 -0.185 19390 1445 1 6 . 1 1 22 22 VAL N N 22 128.302 128.302 128.039 0.263 19390 1446 1 6 . 1 1 22 22 VAL HA H 22 5.014 5.014 5.235 -0.221 19390 1447 1 6 . 1 1 22 22 VAL CA C 22 59.804 59.804 59.564 0.240 19390 1448 1 6 . 1 1 22 22 VAL CB C 22 33.977 33.977 34.291 -0.314 19390 1449 1 6 . 1 1 22 22 VAL H H 22 9.741 9.741 8.412 1.329 19390 1450 1 6 . 1 1 23 23 ASP N N 23 126.317 126.317 127.805 -1.488 19390 1451 1 6 . 1 1 23 23 ASP HA H 23 4.958 4.958 5.052 -0.094 19390 1452 1 6 . 1 1 23 23 ASP CA C 23 52.823 52.823 53.157 -0.334 19390 1453 1 6 . 1 1 23 23 ASP CB C 23 44.752 44.752 44.038 0.713 19390 1454 1 6 . 1 1 23 23 ASP H H 23 8.595 8.595 8.870 -0.275 19390 1455 1 6 . 1 1 24 24 THR N N 24 111.217 111.217 112.085 -0.868 19390 1456 1 6 . 1 1 24 24 THR HA H 24 5.053 5.053 4.917 0.136 19390 1457 1 6 . 1 1 24 24 THR CA C 24 60.370 60.370 60.768 -0.398 19390 1458 1 6 . 1 1 24 24 THR CB C 24 71.606 71.606 71.571 0.035 19390 1459 1 6 . 1 1 24 24 THR H H 24 8.769 8.769 8.228 0.541 19390 1460 1 6 . 1 1 25 25 ASP N N 25 122.678 122.678 123.810 -1.132 19390 1461 1 6 . 1 1 25 25 ASP HA H 25 4.815 4.815 4.699 0.116 19390 1462 1 6 . 1 1 25 25 ASP CA C 25 52.701 52.701 53.589 -0.888 19390 1463 1 6 . 1 1 25 25 ASP CB C 25 41.548 41.548 43.093 -1.545 19390 1464 1 6 . 1 1 25 25 ASP H H 25 8.351 8.351 8.917 -0.566 19390 1465 1 6 . 1 1 26 26 SER HA H 26 4.273 4.273 4.279 -0.006 19390 1466 1 6 . 1 1 26 26 SER CA C 26 61.172 61.172 60.784 0.388 19390 1467 1 6 . 1 1 26 26 SER CB C 26 63.171 63.171 62.871 0.300 19390 1468 1 6 . 1 1 27 27 LEU N N 27 121.798 121.798 120.231 1.567 19390 1469 1 6 . 1 1 27 27 LEU HA H 27 4.530 4.530 4.324 0.206 19390 1470 1 6 . 1 1 27 27 LEU CA C 27 54.639 54.639 55.274 -0.635 19390 1471 1 6 . 1 1 27 27 LEU CB C 27 42.333 42.333 42.073 0.260 19390 1472 1 6 . 1 1 27 27 LEU H H 27 8.031 8.031 8.719 -0.688 19390 1473 1 6 . 1 1 28 28 GLY N N 28 107.680 107.680 105.641 2.039 19390 1474 1 6 . 1 1 28 28 GLY CA C 28 45.241 45.241 44.804 0.437 19390 1475 1 6 . 1 1 28 28 GLY H H 28 8.053 8.053 8.115 -0.062 19390 1476 1 6 . 1 1 29 29 ASN N N 29 121.531 121.531 120.358 1.173 19390 1477 1 6 . 1 1 29 29 ASN HA H 29 5.084 5.084 5.018 0.066 19390 1478 1 6 . 1 1 29 29 ASN CA C 29 51.422 51.422 51.352 0.070 19390 1479 1 6 . 1 1 29 29 ASN CB C 29 38.385 38.385 39.083 -0.698 19390 1480 1 6 . 1 1 29 29 ASN H H 29 8.761 8.761 8.365 0.396 19390 1481 1 6 . 1 1 30 30 PRO HA H 30 5.220 5.220 5.265 -0.045 19390 1482 1 6 . 1 1 30 30 PRO CA C 30 62.660 62.660 62.319 0.341 19390 1483 1 6 . 1 1 30 30 PRO CB C 30 32.898 32.898 33.143 -0.245 19390 1484 1 6 . 1 1 31 31 SER N N 31 116.249 116.249 116.167 0.082 19390 1485 1 6 . 1 1 31 31 SER HA H 31 4.675 4.675 4.923 -0.248 19390 1486 1 6 . 1 1 31 31 SER CA C 31 57.027 57.027 57.592 -0.565 19390 1487 1 6 . 1 1 31 31 SER CB C 31 65.495 65.495 64.828 0.668 19390 1488 1 6 . 1 1 31 31 SER H H 31 8.859 8.859 8.987 -0.128 19390 1489 1 6 . 1 1 32 32 LEU N N 32 123.992 123.992 126.398 -2.406 19390 1490 1 6 . 1 1 32 32 LEU HA H 32 4.910 4.910 5.035 -0.125 19390 1491 1 6 . 1 1 32 32 LEU CA C 32 54.226 54.226 53.764 0.462 19390 1492 1 6 . 1 1 32 32 LEU CB C 32 44.693 44.693 45.092 -0.399 19390 1493 1 6 . 1 1 32 32 LEU H H 32 7.566 7.566 8.594 -1.028 19390 1494 1 6 . 1 1 33 33 SER N N 33 120.489 120.489 124.356 -3.867 19390 1495 1 6 . 1 1 33 33 SER HA H 33 4.750 4.750 4.834 -0.084 19390 1496 1 6 . 1 1 33 33 SER CA C 33 57.236 57.236 57.303 -0.067 19390 1497 1 6 . 1 1 33 33 SER CB C 33 65.138 65.138 64.735 0.403 19390 1498 1 6 . 1 1 33 33 SER H H 33 8.723 8.723 9.143 -0.420 19390 1499 1 6 . 1 1 34 34 VAL N N 34 124.737 124.737 126.986 -2.249 19390 1500 1 6 . 1 1 34 34 VAL HA H 34 5.290 5.290 5.441 -0.151 19390 1501 1 6 . 1 1 34 34 VAL CA C 34 61.163 61.163 61.120 0.043 19390 1502 1 6 . 1 1 34 34 VAL CB C 34 33.901 33.901 34.495 -0.594 19390 1503 1 6 . 1 1 34 34 VAL H H 34 8.296 8.296 8.631 -0.335 19390 1504 1 6 . 1 1 35 35 ILE N N 35 125.451 125.451 127.077 -1.626 19390 1505 1 6 . 1 1 35 35 ILE HA H 35 5.040 5.040 4.801 0.239 19390 1506 1 6 . 1 1 35 35 ILE CA C 35 57.790 57.790 57.873 -0.083 19390 1507 1 6 . 1 1 35 35 ILE CB C 35 42.244 42.244 41.339 0.905 19390 1508 1 6 . 1 1 35 35 ILE H H 35 8.920 8.920 8.947 -0.027 19390 1509 1 6 . 1 1 36 36 PRO HA H 36 4.117 4.117 4.285 -0.168 19390 1510 1 6 . 1 1 36 36 PRO CA C 36 63.249 63.249 62.579 0.670 19390 1511 1 6 . 1 1 36 36 PRO CB C 36 32.044 32.044 31.653 0.391 19390 1512 1 6 . 1 1 37 37 SER N N 37 116.872 116.872 118.534 -1.662 19390 1513 1 6 . 1 1 37 37 SER HA H 37 3.672 3.672 4.241 -0.569 19390 1514 1 6 . 1 1 37 37 SER CA C 37 60.172 60.172 60.674 -0.502 19390 1515 1 6 . 1 1 37 37 SER CB C 37 63.252 63.252 63.635 -0.383 19390 1516 1 6 . 1 1 37 37 SER H H 37 7.847 7.847 8.618 -0.771 19390 1517 1 6 . 1 1 38 38 ASN N N 38 117.181 117.181 118.643 -1.462 19390 1518 1 6 . 1 1 38 38 ASN HA H 38 5.087 5.087 5.145 -0.058 19390 1519 1 6 . 1 1 38 38 ASN CA C 38 50.363 50.363 50.423 -0.060 19390 1520 1 6 . 1 1 38 38 ASN CB C 38 39.385 39.385 40.053 -0.668 19390 1521 1 6 . 1 1 38 38 ASN H H 38 7.951 7.951 7.809 0.142 19390 1522 1 6 . 1 1 39 39 PRO HA H 39 4.227 4.227 4.324 -0.097 19390 1523 1 6 . 1 1 39 39 PRO CA C 39 64.374 64.374 64.192 0.182 19390 1524 1 6 . 1 1 39 39 PRO CB C 39 32.088 32.088 31.936 0.152 19390 1525 1 6 . 1 1 40 40 TYR N N 40 118.056 118.056 118.960 -0.904 19390 1526 1 6 . 1 1 40 40 TYR HA H 40 4.509 4.509 4.297 0.212 19390 1527 1 6 . 1 1 40 40 TYR CA C 40 58.814 58.814 61.565 -2.751 19390 1528 1 6 . 1 1 40 40 TYR CB C 40 37.907 37.907 37.442 0.465 19390 1529 1 6 . 1 1 40 40 TYR H H 40 7.818 7.818 8.252 -0.434 19390 1530 1 6 . 1 1 41 41 GLN N N 41 118.923 118.923 118.481 0.442 19390 1531 1 6 . 1 1 41 41 GLN HA H 41 4.085 4.085 4.052 0.033 19390 1532 1 6 . 1 1 41 41 GLN CA C 41 56.997 56.997 58.690 -1.693 19390 1533 1 6 . 1 1 41 41 GLN CB C 41 29.359 29.359 28.672 0.687 19390 1534 1 6 . 1 1 41 41 GLN H H 41 7.537 7.537 8.104 -0.567 19390 1535 1 6 . 1 1 42 42 GLU N N 42 121.556 121.556 118.955 2.601 19390 1536 1 6 . 1 1 42 42 GLU HA H 42 3.983 3.983 4.069 -0.086 19390 1537 1 6 . 1 1 42 42 GLU CA C 42 58.700 58.700 59.243 -0.543 19390 1538 1 6 . 1 1 42 42 GLU CB C 42 29.600 29.600 29.147 0.453 19390 1539 1 6 . 1 1 42 42 GLU H H 42 8.294 8.294 7.602 0.692 19390 1540 1 6 . 1 1 43 43 GLN N N 43 117.353 117.353 120.223 -2.870 19390 1541 1 6 . 1 1 43 43 GLN HA H 43 4.266 4.266 4.249 0.017 19390 1542 1 6 . 1 1 43 43 GLN CA C 43 56.668 56.668 57.733 -1.065 19390 1543 1 6 . 1 1 43 43 GLN CB C 43 29.038 29.038 29.238 -0.200 19390 1544 1 6 . 1 1 43 43 GLN H H 43 7.898 7.898 7.634 0.264 19390 1545 1 6 . 1 1 44 44 LEU N N 44 120.635 120.635 120.792 -0.157 19390 1546 1 6 . 1 1 44 44 LEU HA H 44 4.365 4.365 4.498 -0.133 19390 1547 1 6 . 1 1 44 44 LEU CA C 44 54.935 54.935 53.809 1.126 19390 1548 1 6 . 1 1 44 44 LEU CB C 44 42.453 42.453 40.448 2.005 19390 1549 1 6 . 1 1 44 44 LEU H H 44 7.613 7.613 8.170 -0.557 19390 1550 1 6 . 1 1 45 45 SER N N 45 114.883 114.883 117.670 -2.787 19390 1551 1 6 . 1 1 45 45 SER HA H 45 4.273 4.273 4.238 0.035 19390 1552 1 6 . 1 1 45 45 SER CA C 45 59.272 59.272 60.431 -1.159 19390 1553 1 6 . 1 1 45 45 SER CB C 45 63.636 63.636 63.520 0.116 19390 1554 1 6 . 1 1 45 45 SER H H 45 7.696 7.696 7.792 -0.096 19390 1555 1 6 . 1 1 46 46 ASP N N 46 122.467 122.467 116.619 5.848 19390 1556 1 6 . 1 1 46 46 ASP HA H 46 4.762 4.762 4.346 0.416 19390 1557 1 6 . 1 1 46 46 ASP CA C 46 53.897 53.897 55.231 -1.334 19390 1558 1 6 . 1 1 46 46 ASP CB C 46 41.083 41.083 39.508 1.575 19390 1559 1 6 . 1 1 46 46 ASP H H 46 8.352 8.352 8.732 -0.380 19390 1560 1 6 . 1 1 47 47 THR N N 47 113.208 113.208 108.422 4.786 19390 1561 1 6 . 1 1 47 47 THR HA H 47 4.708 4.708 4.657 0.052 19390 1562 1 6 . 1 1 47 47 THR CA C 47 59.767 59.767 58.744 1.023 19390 1563 1 6 . 1 1 47 47 THR CB C 47 69.342 69.342 71.021 -1.679 19390 1564 1 6 . 1 1 47 47 THR H H 47 7.696 7.696 7.506 0.190 19390 1565 1 6 . 1 1 48 48 PRO HA H 48 4.459 4.459 4.567 -0.108 19390 1566 1 6 . 1 1 48 48 PRO CA C 48 63.397 63.397 62.733 0.664 19390 1567 1 6 . 1 1 48 48 PRO CB C 48 32.484 32.484 32.429 0.055 19390 1568 1 6 . 1 1 49 49 LEU N N 49 121.960 121.960 123.823 -1.863 19390 1569 1 6 . 1 1 49 49 LEU HA H 49 4.346 4.346 4.567 -0.221 19390 1570 1 6 . 1 1 49 49 LEU CA C 49 54.134 54.134 54.219 -0.085 19390 1571 1 6 . 1 1 49 49 LEU CB C 49 43.308 43.308 42.742 0.566 19390 1572 1 6 . 1 1 49 49 LEU H H 49 8.114 8.114 8.502 -0.388 19390 1573 1 6 . 1 1 50 50 ILE N N 50 126.325 126.325 126.328 -0.003 19390 1574 1 6 . 1 1 50 50 ILE HA H 50 4.485 4.485 4.461 0.024 19390 1575 1 6 . 1 1 50 50 ILE CA C 50 58.184 58.184 58.629 -0.445 19390 1576 1 6 . 1 1 50 50 ILE CB C 50 40.050 40.050 38.859 1.191 19390 1577 1 6 . 1 1 50 50 ILE H H 50 9.351 9.351 8.976 0.375 19390 1578 1 6 . 1 1 51 51 PRO HA H 51 4.940 4.940 4.868 0.072 19390 1579 1 6 . 1 1 51 51 PRO CA C 51 61.995 61.995 62.462 -0.467 19390 1580 1 6 . 1 1 51 51 PRO CB C 51 32.280 32.280 32.288 -0.007 19390 1581 1 6 . 1 1 52 52 LEU N N 52 121.794 121.794 126.704 -4.910 19390 1582 1 6 . 1 1 52 52 LEU HA H 52 5.265 5.265 4.535 0.730 19390 1583 1 6 . 1 1 52 52 LEU CA C 52 54.361 54.361 54.709 -0.348 19390 1584 1 6 . 1 1 52 52 LEU CB C 52 46.108 46.108 45.733 0.374 19390 1585 1 6 . 1 1 52 52 LEU H H 52 8.875 8.875 9.063 -0.188 19390 1586 1 6 . 1 1 53 53 THR N N 53 118.726 118.726 119.889 -1.163 19390 1587 1 6 . 1 1 53 53 THR HA H 53 4.922 4.922 4.633 0.289 19390 1588 1 6 . 1 1 53 53 THR CA C 53 62.427 62.427 61.636 0.790 19390 1589 1 6 . 1 1 53 53 THR CB C 53 70.731 70.731 69.225 1.506 19390 1590 1 6 . 1 1 53 53 THR H H 53 8.827 8.827 8.284 0.543 19390 1591 1 6 . 1 1 54 54 ILE N N 54 125.500 125.500 127.926 -2.426 19390 1592 1 6 . 1 1 54 54 ILE HA H 54 4.962 4.962 4.397 0.565 19390 1593 1 6 . 1 1 54 54 ILE CA C 54 60.527 60.527 60.431 0.096 19390 1594 1 6 . 1 1 54 54 ILE CB C 54 40.830 40.830 39.993 0.837 19390 1595 1 6 . 1 1 54 54 ILE H H 54 9.116 9.116 8.894 0.222 19390 1596 1 6 . 1 1 55 55 PHE N N 55 126.244 126.244 126.436 -0.192 19390 1597 1 6 . 1 1 55 55 PHE HA H 55 5.386 5.386 5.176 0.210 19390 1598 1 6 . 1 1 55 55 PHE CA C 55 55.759 55.759 56.721 -0.962 19390 1599 1 6 . 1 1 55 55 PHE CB C 55 41.193 41.193 41.016 0.177 19390 1600 1 6 . 1 1 55 55 PHE H H 55 9.348 9.348 8.781 0.567 19390 1601 1 6 . 1 1 56 56 VAL N N 56 123.920 123.920 124.335 -0.415 19390 1602 1 6 . 1 1 56 56 VAL HA H 56 4.614 4.614 4.186 0.428 19390 1603 1 6 . 1 1 56 56 VAL CA C 56 62.066 62.066 61.954 0.112 19390 1604 1 6 . 1 1 56 56 VAL CB C 56 32.730 32.730 32.886 -0.156 19390 1605 1 6 . 1 1 56 56 VAL H H 56 8.424 8.424 8.433 -0.009 19390 1606 1 6 . 1 1 57 57 GLY N N 57 113.280 113.280 113.946 -0.666 19390 1607 1 6 . 1 1 57 57 GLY CA C 57 44.513 44.513 44.937 -0.424 19390 1608 1 6 . 1 1 57 57 GLY H H 57 8.483 8.483 8.443 0.040 19390 1609 1 6 . 1 1 58 58 GLU N N 58 118.539 118.539 122.134 -3.595 19390 1610 1 6 . 1 1 58 58 GLU HA H 58 4.412 4.412 4.137 0.275 19390 1611 1 6 . 1 1 58 58 GLU CA C 58 56.298 56.298 57.993 -1.695 19390 1612 1 6 . 1 1 58 58 GLU CB C 58 31.404 31.404 29.907 1.497 19390 1613 1 6 . 1 1 58 58 GLU H H 58 8.283 8.283 8.613 -0.330 19390 1614 1 6 . 1 1 59 59 ASN N N 59 120.870 120.870 117.722 3.148 19390 1615 1 6 . 1 1 59 59 ASN HA H 59 4.852 4.852 4.744 0.108 19390 1616 1 6 . 1 1 59 59 ASN CA C 59 53.120 53.120 53.675 -0.555 19390 1617 1 6 . 1 1 59 59 ASN CB C 59 39.150 39.150 38.842 0.308 19390 1618 1 6 . 1 1 59 59 ASN H H 59 8.530 8.530 7.883 0.647 19390 1619 1 6 . 1 1 60 60 THR N N 60 114.187 114.187 119.498 -5.311 19390 1620 1 6 . 1 1 60 60 THR HA H 60 4.358 4.358 4.425 -0.067 19390 1621 1 6 . 1 1 60 60 THR CA C 60 62.086 62.086 62.430 -0.344 19390 1622 1 6 . 1 1 60 60 THR CB C 60 69.713 69.713 69.509 0.204 19390 1623 1 6 . 1 1 60 60 THR H H 60 8.161 8.161 8.309 -0.148 19390 1624 1 6 . 1 1 61 61 GLY N N 61 111.003 111.003 112.299 -1.296 19390 1625 1 6 . 1 1 61 61 GLY CA C 61 45.690 45.690 44.926 0.764 19390 1626 1 6 . 1 1 61 61 GLY H H 61 8.280 8.280 8.572 -0.292 19390 1627 1 7 . 1 1 2 2 ALA HA H 2 4.391 4.391 4.727 -0.336 19390 1628 1 7 . 1 1 2 2 ALA CA C 2 52.919 52.919 51.909 1.010 19390 1629 1 7 . 1 1 2 2 ALA CB C 2 19.616 19.616 19.874 -0.258 19390 1630 1 7 . 1 1 3 3 MET HA H 3 4.488 4.488 4.534 -0.046 19390 1631 1 7 . 1 1 3 3 MET CA C 3 55.738 55.738 55.705 0.033 19390 1632 1 7 . 1 1 4 4 GLU N N 4 121.531 121.531 122.030 -0.499 19390 1633 1 7 . 1 1 4 4 GLU HA H 4 4.365 4.365 4.553 -0.188 19390 1634 1 7 . 1 1 4 4 GLU CA C 4 56.625 56.625 55.694 0.931 19390 1635 1 7 . 1 1 4 4 GLU CB C 4 30.398 30.398 30.052 0.346 19390 1636 1 7 . 1 1 4 4 GLU H H 4 8.288 8.288 8.138 0.150 19390 1637 1 7 . 1 1 5 5 MET N N 5 121.777 121.777 123.603 -1.826 19390 1638 1 7 . 1 1 5 5 MET HA H 5 4.877 4.877 4.954 -0.077 19390 1639 1 7 . 1 1 5 5 MET CA C 5 53.509 53.509 51.864 1.645 19390 1640 1 7 . 1 1 5 5 MET CB C 5 33.467 33.467 33.088 0.379 19390 1641 1 7 . 1 1 5 5 MET H H 5 8.139 8.139 8.326 -0.187 19390 1642 1 7 . 1 1 6 6 PRO HA H 6 4.335 4.335 4.397 -0.062 19390 1643 1 7 . 1 1 6 6 PRO CA C 6 63.752 63.752 62.910 0.842 19390 1644 1 7 . 1 1 6 6 PRO CB C 6 31.890 31.890 31.978 -0.088 19390 1645 1 7 . 1 1 7 7 THR N N 7 117.518 117.518 117.423 0.095 19390 1646 1 7 . 1 1 7 7 THR HA H 7 4.882 4.882 4.945 -0.063 19390 1647 1 7 . 1 1 7 7 THR CA C 7 61.507 61.507 60.806 0.701 19390 1648 1 7 . 1 1 7 7 THR CB C 7 71.440 71.440 71.089 0.351 19390 1649 1 7 . 1 1 7 7 THR H H 7 7.598 7.598 7.897 -0.299 19390 1650 1 7 . 1 1 8 8 PHE N N 8 123.123 123.123 125.471 -2.348 19390 1651 1 7 . 1 1 8 8 PHE HA H 8 4.688 4.688 4.775 -0.087 19390 1652 1 7 . 1 1 8 8 PHE CA C 8 56.645 56.645 56.593 0.052 19390 1653 1 7 . 1 1 8 8 PHE CB C 8 42.383 42.383 42.491 -0.108 19390 1654 1 7 . 1 1 8 8 PHE H H 8 8.939 8.939 9.119 -0.180 19390 1655 1 7 . 1 1 9 9 TYR N N 9 122.356 122.356 124.243 -1.887 19390 1656 1 7 . 1 1 9 9 TYR HA H 9 5.334 5.334 5.271 0.063 19390 1657 1 7 . 1 1 9 9 TYR CA C 9 56.921 56.921 56.544 0.377 19390 1658 1 7 . 1 1 9 9 TYR CB C 9 40.008 40.008 40.517 -0.509 19390 1659 1 7 . 1 1 9 9 TYR H H 9 8.503 8.503 8.442 0.061 19390 1660 1 7 . 1 1 10 10 LEU N N 10 124.441 124.441 124.031 0.410 19390 1661 1 7 . 1 1 10 10 LEU HA H 10 4.687 4.687 5.069 -0.382 19390 1662 1 7 . 1 1 10 10 LEU CA C 10 53.736 53.736 53.026 0.709 19390 1663 1 7 . 1 1 10 10 LEU CB C 10 46.193 46.193 46.172 0.021 19390 1664 1 7 . 1 1 10 10 LEU H H 10 8.716 8.716 8.899 -0.183 19390 1665 1 7 . 1 1 11 11 ALA N N 11 123.556 123.556 122.847 0.709 19390 1666 1 7 . 1 1 11 11 ALA HA H 11 4.906 4.906 5.386 -0.480 19390 1667 1 7 . 1 1 11 11 ALA CA C 11 51.631 51.631 51.050 0.581 19390 1668 1 7 . 1 1 11 11 ALA CB C 11 20.073 20.073 20.677 -0.604 19390 1669 1 7 . 1 1 11 11 ALA H H 11 8.104 8.104 8.237 -0.133 19390 1670 1 7 . 1 1 12 12 LEU N N 12 121.796 121.796 123.889 -2.093 19390 1671 1 7 . 1 1 12 12 LEU HA H 12 4.502 4.502 4.403 0.099 19390 1672 1 7 . 1 1 12 12 LEU CA C 12 53.050 53.050 53.369 -0.319 19390 1673 1 7 . 1 1 12 12 LEU CB C 12 43.624 43.624 45.477 -1.853 19390 1674 1 7 . 1 1 12 12 LEU H H 12 8.004 8.004 8.776 -0.772 19390 1675 1 7 . 1 1 13 13 HIS N N 13 118.912 118.912 121.213 -2.301 19390 1676 1 7 . 1 1 13 13 HIS HA H 13 4.758 4.758 4.901 -0.143 19390 1677 1 7 . 1 1 13 13 HIS CA C 13 56.865 56.865 56.542 0.323 19390 1678 1 7 . 1 1 13 13 HIS CB C 13 29.731 29.731 30.517 -0.786 19390 1679 1 7 . 1 1 13 13 HIS H H 13 8.659 8.659 9.056 -0.397 19390 1680 1 7 . 1 1 14 14 GLY N N 14 111.509 111.509 112.552 -1.043 19390 1681 1 7 . 1 1 14 14 GLY CA C 14 46.332 46.332 46.551 -0.219 19390 1682 1 7 . 1 1 14 14 GLY H H 14 8.880 8.880 8.562 0.318 19390 1683 1 7 . 1 1 15 15 GLY N N 15 111.541 111.541 114.042 -2.501 19390 1684 1 7 . 1 1 15 15 GLY CA C 15 46.391 46.391 44.772 1.619 19390 1685 1 7 . 1 1 15 15 GLY H H 15 9.276 9.276 8.555 0.721 19390 1686 1 7 . 1 1 16 16 GLN N N 16 118.322 118.322 120.345 -2.023 19390 1687 1 7 . 1 1 16 16 GLN HA H 16 4.499 4.499 4.621 -0.122 19390 1688 1 7 . 1 1 16 16 GLN CA C 16 54.139 54.139 54.333 -0.194 19390 1689 1 7 . 1 1 16 16 GLN CB C 16 30.522 30.522 30.071 0.451 19390 1690 1 7 . 1 1 16 16 GLN H H 16 7.376 7.376 7.961 -0.585 19390 1691 1 7 . 1 1 17 17 THR N N 17 117.250 117.250 117.583 -0.333 19390 1692 1 7 . 1 1 17 17 THR HA H 17 4.662 4.662 4.526 0.136 19390 1693 1 7 . 1 1 17 17 THR CA C 17 63.671 63.671 62.146 1.525 19390 1694 1 7 . 1 1 17 17 THR CB C 17 68.939 68.939 69.674 -0.735 19390 1695 1 7 . 1 1 17 17 THR H H 17 8.379 8.379 8.248 0.131 19390 1696 1 7 . 1 1 18 18 TYR N N 18 127.800 127.800 123.161 4.639 19390 1697 1 7 . 1 1 18 18 TYR HA H 18 4.737 4.737 5.120 -0.384 19390 1698 1 7 . 1 1 18 18 TYR CA C 18 57.312 57.312 56.895 0.417 19390 1699 1 7 . 1 1 18 18 TYR CB C 18 41.411 41.411 42.906 -1.495 19390 1700 1 7 . 1 1 18 18 TYR H H 18 9.556 9.556 8.637 0.919 19390 1701 1 7 . 1 1 19 19 HIS N N 19 121.884 121.884 121.831 0.053 19390 1702 1 7 . 1 1 19 19 HIS HA H 19 5.579 5.579 4.761 0.818 19390 1703 1 7 . 1 1 19 19 HIS CA C 19 54.290 54.290 55.320 -1.030 19390 1704 1 7 . 1 1 19 19 HIS CB C 19 31.704 31.704 31.356 0.348 19390 1705 1 7 . 1 1 19 19 HIS H H 19 9.676 9.676 9.349 0.327 19390 1706 1 7 . 1 1 20 20 LEU N N 20 127.685 127.685 128.117 -0.432 19390 1707 1 7 . 1 1 20 20 LEU HA H 20 5.434 5.434 5.229 0.205 19390 1708 1 7 . 1 1 20 20 LEU CA C 20 54.056 54.056 54.067 -0.011 19390 1709 1 7 . 1 1 20 20 LEU CB C 20 45.997 45.997 43.777 2.220 19390 1710 1 7 . 1 1 20 20 LEU H H 20 9.590 9.590 8.656 0.934 19390 1711 1 7 . 1 1 21 21 ILE N N 21 125.555 125.555 129.220 -3.665 19390 1712 1 7 . 1 1 21 21 ILE HA H 21 4.642 4.642 4.450 0.192 19390 1713 1 7 . 1 1 21 21 ILE CA C 21 61.529 61.529 60.640 0.889 19390 1714 1 7 . 1 1 21 21 ILE CB C 21 42.522 42.522 41.414 1.108 19390 1715 1 7 . 1 1 21 21 ILE H H 21 8.791 8.791 8.977 -0.186 19390 1716 1 7 . 1 1 22 22 VAL N N 22 128.302 128.302 128.065 0.237 19390 1717 1 7 . 1 1 22 22 VAL HA H 22 5.014 5.014 5.258 -0.244 19390 1718 1 7 . 1 1 22 22 VAL CA C 22 59.804 59.804 59.531 0.273 19390 1719 1 7 . 1 1 22 22 VAL CB C 22 33.977 33.977 33.996 -0.019 19390 1720 1 7 . 1 1 22 22 VAL H H 22 9.741 9.741 8.369 1.372 19390 1721 1 7 . 1 1 23 23 ASP N N 23 126.317 126.317 127.442 -1.125 19390 1722 1 7 . 1 1 23 23 ASP HA H 23 4.958 4.958 4.946 0.012 19390 1723 1 7 . 1 1 23 23 ASP CA C 23 52.823 52.823 52.957 -0.134 19390 1724 1 7 . 1 1 23 23 ASP CB C 23 44.752 44.752 44.312 0.440 19390 1725 1 7 . 1 1 23 23 ASP H H 23 8.595 8.595 8.624 -0.029 19390 1726 1 7 . 1 1 24 24 THR N N 24 111.217 111.217 112.389 -1.172 19390 1727 1 7 . 1 1 24 24 THR HA H 24 5.053 5.053 5.105 -0.052 19390 1728 1 7 . 1 1 24 24 THR CA C 24 60.370 60.370 60.528 -0.158 19390 1729 1 7 . 1 1 24 24 THR CB C 24 71.606 71.606 71.011 0.595 19390 1730 1 7 . 1 1 24 24 THR H H 24 8.769 8.769 8.236 0.533 19390 1731 1 7 . 1 1 25 25 ASP N N 25 122.678 122.678 124.942 -2.264 19390 1732 1 7 . 1 1 25 25 ASP HA H 25 4.815 4.815 4.715 0.100 19390 1733 1 7 . 1 1 25 25 ASP CA C 25 52.701 52.701 53.233 -0.532 19390 1734 1 7 . 1 1 25 25 ASP CB C 25 41.548 41.548 42.738 -1.190 19390 1735 1 7 . 1 1 25 25 ASP H H 25 8.351 8.351 8.997 -0.646 19390 1736 1 7 . 1 1 26 26 SER HA H 26 4.273 4.273 4.244 0.029 19390 1737 1 7 . 1 1 26 26 SER CA C 26 61.172 61.172 60.884 0.288 19390 1738 1 7 . 1 1 26 26 SER CB C 26 63.171 63.171 63.098 0.073 19390 1739 1 7 . 1 1 27 27 LEU N N 27 121.798 121.798 119.306 2.492 19390 1740 1 7 . 1 1 27 27 LEU HA H 27 4.530 4.530 4.199 0.331 19390 1741 1 7 . 1 1 27 27 LEU CA C 27 54.639 54.639 55.465 -0.826 19390 1742 1 7 . 1 1 27 27 LEU CB C 27 42.333 42.333 42.411 -0.078 19390 1743 1 7 . 1 1 27 27 LEU H H 27 8.031 8.031 8.049 -0.018 19390 1744 1 7 . 1 1 28 28 GLY N N 28 107.680 107.680 105.365 2.315 19390 1745 1 7 . 1 1 28 28 GLY CA C 28 45.241 45.241 44.696 0.545 19390 1746 1 7 . 1 1 28 28 GLY H H 28 8.053 8.053 8.275 -0.222 19390 1747 1 7 . 1 1 29 29 ASN N N 29 121.531 121.531 118.626 2.905 19390 1748 1 7 . 1 1 29 29 ASN HA H 29 5.084 5.084 5.066 0.018 19390 1749 1 7 . 1 1 29 29 ASN CA C 29 51.422 51.422 50.592 0.830 19390 1750 1 7 . 1 1 29 29 ASN CB C 29 38.385 38.385 38.681 -0.296 19390 1751 1 7 . 1 1 29 29 ASN H H 29 8.761 8.761 8.025 0.736 19390 1752 1 7 . 1 1 30 30 PRO HA H 30 5.220 5.220 5.318 -0.098 19390 1753 1 7 . 1 1 30 30 PRO CA C 30 62.660 62.660 61.939 0.721 19390 1754 1 7 . 1 1 30 30 PRO CB C 30 32.898 32.898 33.206 -0.308 19390 1755 1 7 . 1 1 31 31 SER N N 31 116.249 116.249 115.999 0.250 19390 1756 1 7 . 1 1 31 31 SER HA H 31 4.675 4.675 4.946 -0.271 19390 1757 1 7 . 1 1 31 31 SER CA C 31 57.027 57.027 57.364 -0.337 19390 1758 1 7 . 1 1 31 31 SER CB C 31 65.495 65.495 64.844 0.651 19390 1759 1 7 . 1 1 31 31 SER H H 31 8.859 8.859 9.042 -0.183 19390 1760 1 7 . 1 1 32 32 LEU N N 32 123.992 123.992 124.633 -0.641 19390 1761 1 7 . 1 1 32 32 LEU HA H 32 4.910 4.910 4.995 -0.085 19390 1762 1 7 . 1 1 32 32 LEU CA C 32 54.226 54.226 54.028 0.198 19390 1763 1 7 . 1 1 32 32 LEU CB C 32 44.693 44.693 45.011 -0.318 19390 1764 1 7 . 1 1 32 32 LEU H H 32 7.566 7.566 8.537 -0.971 19390 1765 1 7 . 1 1 33 33 SER N N 33 120.489 120.489 123.452 -2.963 19390 1766 1 7 . 1 1 33 33 SER HA H 33 4.750 4.750 4.841 -0.091 19390 1767 1 7 . 1 1 33 33 SER CA C 33 57.236 57.236 57.802 -0.566 19390 1768 1 7 . 1 1 33 33 SER CB C 33 65.138 65.138 64.900 0.238 19390 1769 1 7 . 1 1 33 33 SER H H 33 8.723 8.723 9.118 -0.395 19390 1770 1 7 . 1 1 34 34 VAL N N 34 124.737 124.737 126.834 -2.097 19390 1771 1 7 . 1 1 34 34 VAL HA H 34 5.290 5.290 5.455 -0.165 19390 1772 1 7 . 1 1 34 34 VAL CA C 34 61.163 61.163 60.586 0.577 19390 1773 1 7 . 1 1 34 34 VAL CB C 34 33.901 33.901 34.233 -0.332 19390 1774 1 7 . 1 1 34 34 VAL H H 34 8.296 8.296 8.611 -0.315 19390 1775 1 7 . 1 1 35 35 ILE N N 35 125.451 125.451 126.665 -1.214 19390 1776 1 7 . 1 1 35 35 ILE HA H 35 5.040 5.040 4.816 0.224 19390 1777 1 7 . 1 1 35 35 ILE CA C 35 57.790 57.790 57.815 -0.025 19390 1778 1 7 . 1 1 35 35 ILE CB C 35 42.244 42.244 41.093 1.151 19390 1779 1 7 . 1 1 35 35 ILE H H 35 8.920 8.920 8.922 -0.002 19390 1780 1 7 . 1 1 36 36 PRO HA H 36 4.117 4.117 4.360 -0.243 19390 1781 1 7 . 1 1 36 36 PRO CA C 36 63.249 63.249 62.564 0.685 19390 1782 1 7 . 1 1 36 36 PRO CB C 36 32.044 32.044 31.716 0.328 19390 1783 1 7 . 1 1 37 37 SER N N 37 116.872 116.872 118.144 -1.272 19390 1784 1 7 . 1 1 37 37 SER HA H 37 3.672 3.672 4.320 -0.648 19390 1785 1 7 . 1 1 37 37 SER CA C 37 60.172 60.172 60.109 0.062 19390 1786 1 7 . 1 1 37 37 SER CB C 37 63.252 63.252 63.725 -0.473 19390 1787 1 7 . 1 1 37 37 SER H H 37 7.847 7.847 8.708 -0.861 19390 1788 1 7 . 1 1 38 38 ASN N N 38 117.181 117.181 118.500 -1.319 19390 1789 1 7 . 1 1 38 38 ASN HA H 38 5.087 5.087 5.152 -0.065 19390 1790 1 7 . 1 1 38 38 ASN CA C 38 50.363 50.363 51.184 -0.822 19390 1791 1 7 . 1 1 38 38 ASN CB C 38 39.385 39.385 40.534 -1.149 19390 1792 1 7 . 1 1 38 38 ASN H H 38 7.951 7.951 7.840 0.111 19390 1793 1 7 . 1 1 39 39 PRO HA H 39 4.227 4.227 4.303 -0.076 19390 1794 1 7 . 1 1 39 39 PRO CA C 39 64.374 64.374 64.365 0.009 19390 1795 1 7 . 1 1 39 39 PRO CB C 39 32.088 32.088 31.699 0.389 19390 1796 1 7 . 1 1 40 40 TYR N N 40 118.056 118.056 117.466 0.590 19390 1797 1 7 . 1 1 40 40 TYR HA H 40 4.509 4.509 4.761 -0.252 19390 1798 1 7 . 1 1 40 40 TYR CA C 40 58.814 58.814 60.314 -1.500 19390 1799 1 7 . 1 1 40 40 TYR CB C 40 37.907 37.907 37.441 0.466 19390 1800 1 7 . 1 1 40 40 TYR H H 40 7.818 7.818 7.932 -0.114 19390 1801 1 7 . 1 1 41 41 GLN N N 41 118.923 118.923 117.936 0.987 19390 1802 1 7 . 1 1 41 41 GLN HA H 41 4.085 4.085 4.031 0.054 19390 1803 1 7 . 1 1 41 41 GLN CA C 41 56.997 56.997 58.551 -1.554 19390 1804 1 7 . 1 1 41 41 GLN CB C 41 29.359 29.359 28.433 0.926 19390 1805 1 7 . 1 1 41 41 GLN H H 41 7.537 7.537 7.769 -0.232 19390 1806 1 7 . 1 1 42 42 GLU N N 42 121.556 121.556 117.841 3.715 19390 1807 1 7 . 1 1 42 42 GLU HA H 42 3.983 3.983 4.214 -0.231 19390 1808 1 7 . 1 1 42 42 GLU CA C 42 58.700 58.700 58.318 0.383 19390 1809 1 7 . 1 1 42 42 GLU CB C 42 29.600 29.600 29.377 0.223 19390 1810 1 7 . 1 1 42 42 GLU H H 42 8.294 8.294 7.557 0.737 19390 1811 1 7 . 1 1 43 43 GLN N N 43 117.353 117.353 117.389 -0.036 19390 1812 1 7 . 1 1 43 43 GLN HA H 43 4.266 4.266 4.215 0.051 19390 1813 1 7 . 1 1 43 43 GLN CA C 43 56.668 56.668 58.084 -1.416 19390 1814 1 7 . 1 1 43 43 GLN CB C 43 29.038 29.038 29.652 -0.614 19390 1815 1 7 . 1 1 43 43 GLN H H 43 7.898 7.898 7.444 0.454 19390 1816 1 7 . 1 1 44 44 LEU N N 44 120.635 120.635 122.407 -1.772 19390 1817 1 7 . 1 1 44 44 LEU HA H 44 4.365 4.365 4.490 -0.125 19390 1818 1 7 . 1 1 44 44 LEU CA C 44 54.935 54.935 53.312 1.623 19390 1819 1 7 . 1 1 44 44 LEU CB C 44 42.453 42.453 40.417 2.036 19390 1820 1 7 . 1 1 44 44 LEU H H 44 7.613 7.613 8.073 -0.460 19390 1821 1 7 . 1 1 45 45 SER N N 45 114.883 114.883 116.716 -1.833 19390 1822 1 7 . 1 1 45 45 SER HA H 45 4.273 4.273 4.318 -0.045 19390 1823 1 7 . 1 1 45 45 SER CA C 45 59.272 59.272 57.684 1.588 19390 1824 1 7 . 1 1 45 45 SER CB C 45 63.636 63.636 62.838 0.798 19390 1825 1 7 . 1 1 45 45 SER H H 45 7.696 7.696 7.856 -0.160 19390 1826 1 7 . 1 1 46 46 ASP N N 46 122.467 122.467 124.716 -2.249 19390 1827 1 7 . 1 1 46 46 ASP HA H 46 4.762 4.762 4.728 0.034 19390 1828 1 7 . 1 1 46 46 ASP CA C 46 53.897 53.897 55.831 -1.934 19390 1829 1 7 . 1 1 46 46 ASP CB C 46 41.083 41.083 41.317 -0.234 19390 1830 1 7 . 1 1 46 46 ASP H H 46 8.352 8.352 8.383 -0.031 19390 1831 1 7 . 1 1 47 47 THR N N 47 113.208 113.208 112.670 0.538 19390 1832 1 7 . 1 1 47 47 THR HA H 47 4.708 4.708 4.691 0.017 19390 1833 1 7 . 1 1 47 47 THR CA C 47 59.767 59.767 58.739 1.028 19390 1834 1 7 . 1 1 47 47 THR CB C 47 69.342 69.342 70.318 -0.976 19390 1835 1 7 . 1 1 47 47 THR H H 47 7.696 7.696 7.408 0.288 19390 1836 1 7 . 1 1 48 48 PRO HA H 48 4.459 4.459 4.621 -0.162 19390 1837 1 7 . 1 1 48 48 PRO CA C 48 63.397 63.397 62.453 0.944 19390 1838 1 7 . 1 1 48 48 PRO CB C 48 32.484 32.484 32.979 -0.495 19390 1839 1 7 . 1 1 49 49 LEU N N 49 121.960 121.960 122.432 -0.472 19390 1840 1 7 . 1 1 49 49 LEU HA H 49 4.346 4.346 4.701 -0.355 19390 1841 1 7 . 1 1 49 49 LEU CA C 49 54.134 54.134 54.200 -0.067 19390 1842 1 7 . 1 1 49 49 LEU CB C 49 43.308 43.308 43.242 0.066 19390 1843 1 7 . 1 1 49 49 LEU H H 49 8.114 8.114 8.335 -0.221 19390 1844 1 7 . 1 1 50 50 ILE N N 50 126.325 126.325 123.992 2.333 19390 1845 1 7 . 1 1 50 50 ILE HA H 50 4.485 4.485 4.614 -0.129 19390 1846 1 7 . 1 1 50 50 ILE CA C 50 58.184 58.184 58.111 0.073 19390 1847 1 7 . 1 1 50 50 ILE CB C 50 40.050 40.050 40.167 -0.117 19390 1848 1 7 . 1 1 50 50 ILE H H 50 9.351 9.351 9.066 0.285 19390 1849 1 7 . 1 1 51 51 PRO HA H 51 4.940 4.940 4.998 -0.058 19390 1850 1 7 . 1 1 51 51 PRO CA C 51 61.995 61.995 62.336 -0.341 19390 1851 1 7 . 1 1 51 51 PRO CB C 51 32.280 32.280 32.299 -0.019 19390 1852 1 7 . 1 1 52 52 LEU N N 52 121.794 121.794 126.557 -4.763 19390 1853 1 7 . 1 1 52 52 LEU HA H 52 5.265 5.265 4.581 0.684 19390 1854 1 7 . 1 1 52 52 LEU CA C 52 54.361 54.361 54.706 -0.345 19390 1855 1 7 . 1 1 52 52 LEU CB C 52 46.108 46.108 45.515 0.593 19390 1856 1 7 . 1 1 52 52 LEU H H 52 8.875 8.875 9.204 -0.329 19390 1857 1 7 . 1 1 53 53 THR N N 53 118.726 118.726 120.145 -1.419 19390 1858 1 7 . 1 1 53 53 THR HA H 53 4.922 4.922 4.585 0.337 19390 1859 1 7 . 1 1 53 53 THR CA C 53 62.427 62.427 61.676 0.751 19390 1860 1 7 . 1 1 53 53 THR CB C 53 70.731 70.731 69.003 1.728 19390 1861 1 7 . 1 1 53 53 THR H H 53 8.827 8.827 8.291 0.536 19390 1862 1 7 . 1 1 54 54 ILE N N 54 125.500 125.500 127.806 -2.306 19390 1863 1 7 . 1 1 54 54 ILE HA H 54 4.962 4.962 4.401 0.561 19390 1864 1 7 . 1 1 54 54 ILE CA C 54 60.527 60.527 60.357 0.170 19390 1865 1 7 . 1 1 54 54 ILE CB C 54 40.830 40.830 40.056 0.775 19390 1866 1 7 . 1 1 54 54 ILE H H 54 9.116 9.116 8.978 0.138 19390 1867 1 7 . 1 1 55 55 PHE N N 55 126.244 126.244 126.240 0.004 19390 1868 1 7 . 1 1 55 55 PHE HA H 55 5.386 5.386 4.940 0.446 19390 1869 1 7 . 1 1 55 55 PHE CA C 55 55.759 55.759 56.907 -1.148 19390 1870 1 7 . 1 1 55 55 PHE CB C 55 41.193 41.193 40.998 0.195 19390 1871 1 7 . 1 1 55 55 PHE H H 55 9.348 9.348 8.761 0.587 19390 1872 1 7 . 1 1 56 56 VAL N N 56 123.920 123.920 123.690 0.230 19390 1873 1 7 . 1 1 56 56 VAL HA H 56 4.614 4.614 4.292 0.322 19390 1874 1 7 . 1 1 56 56 VAL CA C 56 62.066 62.066 62.217 -0.151 19390 1875 1 7 . 1 1 56 56 VAL CB C 56 32.730 32.730 33.172 -0.442 19390 1876 1 7 . 1 1 56 56 VAL H H 56 8.424 8.424 8.407 0.017 19390 1877 1 7 . 1 1 57 57 GLY N N 57 113.280 113.280 113.660 -0.380 19390 1878 1 7 . 1 1 57 57 GLY CA C 57 44.513 44.513 44.373 0.140 19390 1879 1 7 . 1 1 57 57 GLY H H 57 8.483 8.483 8.396 0.087 19390 1880 1 7 . 1 1 58 58 GLU N N 58 118.539 118.539 121.026 -2.487 19390 1881 1 7 . 1 1 58 58 GLU HA H 58 4.412 4.412 4.563 -0.151 19390 1882 1 7 . 1 1 58 58 GLU CA C 58 56.298 56.298 55.691 0.608 19390 1883 1 7 . 1 1 58 58 GLU CB C 58 31.404 31.404 29.619 1.785 19390 1884 1 7 . 1 1 58 58 GLU H H 58 8.283 8.283 8.711 -0.428 19390 1885 1 7 . 1 1 59 59 ASN N N 59 120.870 120.870 123.027 -2.157 19390 1886 1 7 . 1 1 59 59 ASN HA H 59 4.852 4.852 4.332 0.520 19390 1887 1 7 . 1 1 59 59 ASN CA C 59 53.120 53.120 55.267 -2.147 19390 1888 1 7 . 1 1 59 59 ASN CB C 59 39.150 39.150 38.419 0.731 19390 1889 1 7 . 1 1 59 59 ASN H H 59 8.530 8.530 9.030 -0.500 19390 1890 1 7 . 1 1 60 60 THR N N 60 114.187 114.187 112.676 1.511 19390 1891 1 7 . 1 1 60 60 THR HA H 60 4.358 4.358 4.548 -0.190 19390 1892 1 7 . 1 1 60 60 THR CA C 60 62.086 62.086 61.621 0.465 19390 1893 1 7 . 1 1 60 60 THR CB C 60 69.713 69.713 70.583 -0.870 19390 1894 1 7 . 1 1 60 60 THR H H 60 8.161 8.161 8.182 -0.021 19390 1895 1 7 . 1 1 61 61 GLY N N 61 111.003 111.003 112.150 -1.147 19390 1896 1 7 . 1 1 61 61 GLY CA C 61 45.690 45.690 45.501 0.189 19390 1897 1 7 . 1 1 61 61 GLY H H 61 8.280 8.280 8.453 -0.173 19390 1898 1 8 . 1 1 2 2 ALA HA H 2 4.391 4.391 4.656 -0.265 19390 1899 1 8 . 1 1 2 2 ALA CA C 2 52.919 52.919 52.150 0.769 19390 1900 1 8 . 1 1 2 2 ALA CB C 2 19.616 19.616 17.851 1.765 19390 1901 1 8 . 1 1 3 3 MET HA H 3 4.488 4.488 4.580 -0.092 19390 1902 1 8 . 1 1 3 3 MET CA C 3 55.738 55.738 55.453 0.285 19390 1903 1 8 . 1 1 4 4 GLU N N 4 121.531 121.531 125.532 -4.001 19390 1904 1 8 . 1 1 4 4 GLU HA H 4 4.365 4.365 4.580 -0.215 19390 1905 1 8 . 1 1 4 4 GLU CA C 4 56.625 56.625 55.967 0.658 19390 1906 1 8 . 1 1 4 4 GLU CB C 4 30.398 30.398 30.761 -0.363 19390 1907 1 8 . 1 1 4 4 GLU H H 4 8.288 8.288 8.496 -0.208 19390 1908 1 8 . 1 1 5 5 MET N N 5 121.777 121.777 121.996 -0.219 19390 1909 1 8 . 1 1 5 5 MET HA H 5 4.877 4.877 5.129 -0.252 19390 1910 1 8 . 1 1 5 5 MET CA C 5 53.509 53.509 52.396 1.113 19390 1911 1 8 . 1 1 5 5 MET CB C 5 33.467 33.467 33.348 0.119 19390 1912 1 8 . 1 1 5 5 MET H H 5 8.139 8.139 8.523 -0.384 19390 1913 1 8 . 1 1 6 6 PRO HA H 6 4.335 4.335 4.339 -0.004 19390 1914 1 8 . 1 1 6 6 PRO CA C 6 63.752 63.752 63.251 0.501 19390 1915 1 8 . 1 1 6 6 PRO CB C 6 31.890 31.890 32.258 -0.368 19390 1916 1 8 . 1 1 7 7 THR N N 7 117.518 117.518 118.003 -0.485 19390 1917 1 8 . 1 1 7 7 THR HA H 7 4.882 4.882 4.763 0.119 19390 1918 1 8 . 1 1 7 7 THR CA C 7 61.507 61.507 61.562 -0.055 19390 1919 1 8 . 1 1 7 7 THR CB C 7 71.440 71.440 70.249 1.191 19390 1920 1 8 . 1 1 7 7 THR H H 7 7.598 7.598 7.830 -0.232 19390 1921 1 8 . 1 1 8 8 PHE N N 8 123.123 123.123 125.916 -2.793 19390 1922 1 8 . 1 1 8 8 PHE HA H 8 4.688 4.688 4.767 -0.079 19390 1923 1 8 . 1 1 8 8 PHE CA C 8 56.645 56.645 56.780 -0.135 19390 1924 1 8 . 1 1 8 8 PHE CB C 8 42.383 42.383 43.149 -0.766 19390 1925 1 8 . 1 1 8 8 PHE H H 8 8.939 8.939 9.042 -0.103 19390 1926 1 8 . 1 1 9 9 TYR N N 9 122.356 122.356 124.620 -2.264 19390 1927 1 8 . 1 1 9 9 TYR HA H 9 5.334 5.334 5.312 0.022 19390 1928 1 8 . 1 1 9 9 TYR CA C 9 56.921 56.921 56.805 0.116 19390 1929 1 8 . 1 1 9 9 TYR CB C 9 40.008 40.008 40.382 -0.374 19390 1930 1 8 . 1 1 9 9 TYR H H 9 8.503 8.503 8.486 0.017 19390 1931 1 8 . 1 1 10 10 LEU N N 10 124.441 124.441 124.034 0.407 19390 1932 1 8 . 1 1 10 10 LEU HA H 10 4.687 4.687 5.040 -0.353 19390 1933 1 8 . 1 1 10 10 LEU CA C 10 53.736 53.736 52.991 0.745 19390 1934 1 8 . 1 1 10 10 LEU CB C 10 46.193 46.193 46.044 0.149 19390 1935 1 8 . 1 1 10 10 LEU H H 10 8.716 8.716 8.717 -0.001 19390 1936 1 8 . 1 1 11 11 ALA N N 11 123.556 123.556 122.834 0.722 19390 1937 1 8 . 1 1 11 11 ALA HA H 11 4.906 4.906 5.426 -0.520 19390 1938 1 8 . 1 1 11 11 ALA CA C 11 51.631 51.631 50.910 0.721 19390 1939 1 8 . 1 1 11 11 ALA CB C 11 20.073 20.073 20.539 -0.466 19390 1940 1 8 . 1 1 11 11 ALA H H 11 8.104 8.104 8.227 -0.123 19390 1941 1 8 . 1 1 12 12 LEU N N 12 121.796 121.796 123.208 -1.412 19390 1942 1 8 . 1 1 12 12 LEU HA H 12 4.502 4.502 4.385 0.117 19390 1943 1 8 . 1 1 12 12 LEU CA C 12 53.050 53.050 53.106 -0.056 19390 1944 1 8 . 1 1 12 12 LEU CB C 12 43.624 43.624 45.309 -1.685 19390 1945 1 8 . 1 1 12 12 LEU H H 12 8.004 8.004 8.637 -0.633 19390 1946 1 8 . 1 1 13 13 HIS N N 13 118.912 118.912 121.774 -2.862 19390 1947 1 8 . 1 1 13 13 HIS HA H 13 4.758 4.758 4.981 -0.223 19390 1948 1 8 . 1 1 13 13 HIS CA C 13 56.865 56.865 57.108 -0.242 19390 1949 1 8 . 1 1 13 13 HIS CB C 13 29.731 29.731 30.354 -0.623 19390 1950 1 8 . 1 1 13 13 HIS H H 13 8.659 8.659 8.594 0.065 19390 1951 1 8 . 1 1 14 14 GLY N N 14 111.509 111.509 111.386 0.123 19390 1952 1 8 . 1 1 14 14 GLY CA C 14 46.332 46.332 46.467 -0.134 19390 1953 1 8 . 1 1 14 14 GLY H H 14 8.880 8.880 8.468 0.412 19390 1954 1 8 . 1 1 15 15 GLY N N 15 111.541 111.541 113.184 -1.643 19390 1955 1 8 . 1 1 15 15 GLY CA C 15 46.391 46.391 44.698 1.693 19390 1956 1 8 . 1 1 15 15 GLY H H 15 9.276 9.276 8.046 1.230 19390 1957 1 8 . 1 1 16 16 GLN N N 16 118.322 118.322 119.756 -1.434 19390 1958 1 8 . 1 1 16 16 GLN HA H 16 4.499 4.499 4.645 -0.146 19390 1959 1 8 . 1 1 16 16 GLN CA C 16 54.139 54.139 54.297 -0.158 19390 1960 1 8 . 1 1 16 16 GLN CB C 16 30.522 30.522 30.945 -0.423 19390 1961 1 8 . 1 1 16 16 GLN H H 16 7.376 7.376 8.135 -0.759 19390 1962 1 8 . 1 1 17 17 THR N N 17 117.250 117.250 117.403 -0.153 19390 1963 1 8 . 1 1 17 17 THR HA H 17 4.662 4.662 4.562 0.100 19390 1964 1 8 . 1 1 17 17 THR CA C 17 63.671 63.671 62.112 1.559 19390 1965 1 8 . 1 1 17 17 THR CB C 17 68.939 68.939 69.700 -0.761 19390 1966 1 8 . 1 1 17 17 THR H H 17 8.379 8.379 8.273 0.106 19390 1967 1 8 . 1 1 18 18 TYR N N 18 127.800 127.800 122.937 4.863 19390 1968 1 8 . 1 1 18 18 TYR HA H 18 4.737 4.737 4.945 -0.208 19390 1969 1 8 . 1 1 18 18 TYR CA C 18 57.312 57.312 57.074 0.238 19390 1970 1 8 . 1 1 18 18 TYR CB C 18 41.411 41.411 42.963 -1.552 19390 1971 1 8 . 1 1 18 18 TYR H H 18 9.556 9.556 8.619 0.937 19390 1972 1 8 . 1 1 19 19 HIS N N 19 121.884 121.884 121.609 0.275 19390 1973 1 8 . 1 1 19 19 HIS HA H 19 5.579 5.579 4.758 0.821 19390 1974 1 8 . 1 1 19 19 HIS CA C 19 54.290 54.290 55.283 -0.993 19390 1975 1 8 . 1 1 19 19 HIS CB C 19 31.704 31.704 31.238 0.466 19390 1976 1 8 . 1 1 19 19 HIS H H 19 9.676 9.676 9.323 0.353 19390 1977 1 8 . 1 1 20 20 LEU N N 20 127.685 127.685 127.868 -0.183 19390 1978 1 8 . 1 1 20 20 LEU HA H 20 5.434 5.434 5.230 0.204 19390 1979 1 8 . 1 1 20 20 LEU CA C 20 54.056 54.056 54.050 0.006 19390 1980 1 8 . 1 1 20 20 LEU CB C 20 45.997 45.997 43.989 2.008 19390 1981 1 8 . 1 1 20 20 LEU H H 20 9.590 9.590 8.658 0.932 19390 1982 1 8 . 1 1 21 21 ILE N N 21 125.555 125.555 129.020 -3.465 19390 1983 1 8 . 1 1 21 21 ILE HA H 21 4.642 4.642 4.439 0.203 19390 1984 1 8 . 1 1 21 21 ILE CA C 21 61.529 61.529 60.636 0.893 19390 1985 1 8 . 1 1 21 21 ILE CB C 21 42.522 42.522 41.514 1.008 19390 1986 1 8 . 1 1 21 21 ILE H H 21 8.791 8.791 8.954 -0.163 19390 1987 1 8 . 1 1 22 22 VAL N N 22 128.302 128.302 127.863 0.439 19390 1988 1 8 . 1 1 22 22 VAL HA H 22 5.014 5.014 5.147 -0.133 19390 1989 1 8 . 1 1 22 22 VAL CA C 22 59.804 59.804 59.645 0.159 19390 1990 1 8 . 1 1 22 22 VAL CB C 22 33.977 33.977 33.892 0.085 19390 1991 1 8 . 1 1 22 22 VAL H H 22 9.741 9.741 8.330 1.411 19390 1992 1 8 . 1 1 23 23 ASP N N 23 126.317 126.317 128.462 -2.145 19390 1993 1 8 . 1 1 23 23 ASP HA H 23 4.958 4.958 5.013 -0.055 19390 1994 1 8 . 1 1 23 23 ASP CA C 23 52.823 52.823 53.167 -0.344 19390 1995 1 8 . 1 1 23 23 ASP CB C 23 44.752 44.752 44.869 -0.117 19390 1996 1 8 . 1 1 23 23 ASP H H 23 8.595 8.595 8.828 -0.233 19390 1997 1 8 . 1 1 24 24 THR N N 24 111.217 111.217 115.302 -4.085 19390 1998 1 8 . 1 1 24 24 THR HA H 24 5.053 5.053 5.219 -0.166 19390 1999 1 8 . 1 1 24 24 THR CA C 24 60.370 60.370 60.345 0.025 19390 2000 1 8 . 1 1 24 24 THR CB C 24 71.606 71.606 71.181 0.425 19390 2001 1 8 . 1 1 24 24 THR H H 24 8.769 8.769 8.253 0.516 19390 2002 1 8 . 1 1 25 25 ASP N N 25 122.678 122.678 124.660 -1.982 19390 2003 1 8 . 1 1 25 25 ASP HA H 25 4.815 4.815 4.574 0.241 19390 2004 1 8 . 1 1 25 25 ASP CA C 25 52.701 52.701 53.246 -0.545 19390 2005 1 8 . 1 1 25 25 ASP CB C 25 41.548 41.548 41.937 -0.389 19390 2006 1 8 . 1 1 25 25 ASP H H 25 8.351 8.351 8.653 -0.302 19390 2007 1 8 . 1 1 26 26 SER HA H 26 4.273 4.273 4.328 -0.055 19390 2008 1 8 . 1 1 26 26 SER CA C 26 61.172 61.172 60.385 0.787 19390 2009 1 8 . 1 1 26 26 SER CB C 26 63.171 63.171 63.082 0.089 19390 2010 1 8 . 1 1 27 27 LEU N N 27 121.798 121.798 119.256 2.542 19390 2011 1 8 . 1 1 27 27 LEU HA H 27 4.530 4.530 4.353 0.177 19390 2012 1 8 . 1 1 27 27 LEU CA C 27 54.639 54.639 55.311 -0.672 19390 2013 1 8 . 1 1 27 27 LEU CB C 27 42.333 42.333 42.508 -0.175 19390 2014 1 8 . 1 1 27 27 LEU H H 27 8.031 8.031 8.514 -0.483 19390 2015 1 8 . 1 1 28 28 GLY N N 28 107.680 107.680 104.649 3.031 19390 2016 1 8 . 1 1 28 28 GLY CA C 28 45.241 45.241 44.483 0.758 19390 2017 1 8 . 1 1 28 28 GLY H H 28 8.053 8.053 7.828 0.225 19390 2018 1 8 . 1 1 29 29 ASN N N 29 121.531 121.531 120.592 0.939 19390 2019 1 8 . 1 1 29 29 ASN HA H 29 5.084 5.084 5.175 -0.091 19390 2020 1 8 . 1 1 29 29 ASN CA C 29 51.422 51.422 51.675 -0.252 19390 2021 1 8 . 1 1 29 29 ASN CB C 29 38.385 38.385 39.571 -1.186 19390 2022 1 8 . 1 1 29 29 ASN H H 29 8.761 8.761 9.299 -0.538 19390 2023 1 8 . 1 1 30 30 PRO HA H 30 5.220 5.220 4.975 0.245 19390 2024 1 8 . 1 1 30 30 PRO CA C 30 62.660 62.660 62.564 0.096 19390 2025 1 8 . 1 1 30 30 PRO CB C 30 32.898 32.898 32.877 0.021 19390 2026 1 8 . 1 1 31 31 SER N N 31 116.249 116.249 117.300 -1.051 19390 2027 1 8 . 1 1 31 31 SER HA H 31 4.675 4.675 4.911 -0.236 19390 2028 1 8 . 1 1 31 31 SER CA C 31 57.027 57.027 57.350 -0.323 19390 2029 1 8 . 1 1 31 31 SER CB C 31 65.495 65.495 64.645 0.850 19390 2030 1 8 . 1 1 31 31 SER H H 31 8.859 8.859 8.947 -0.088 19390 2031 1 8 . 1 1 32 32 LEU N N 32 123.992 123.992 126.388 -2.396 19390 2032 1 8 . 1 1 32 32 LEU HA H 32 4.910 4.910 5.129 -0.219 19390 2033 1 8 . 1 1 32 32 LEU CA C 32 54.226 54.226 53.546 0.680 19390 2034 1 8 . 1 1 32 32 LEU CB C 32 44.693 44.693 44.968 -0.275 19390 2035 1 8 . 1 1 32 32 LEU H H 32 7.566 7.566 8.543 -0.977 19390 2036 1 8 . 1 1 33 33 SER N N 33 120.489 120.489 123.313 -2.824 19390 2037 1 8 . 1 1 33 33 SER HA H 33 4.750 4.750 4.782 -0.032 19390 2038 1 8 . 1 1 33 33 SER CA C 33 57.236 57.236 57.096 0.140 19390 2039 1 8 . 1 1 33 33 SER CB C 33 65.138 65.138 64.965 0.173 19390 2040 1 8 . 1 1 33 33 SER H H 33 8.723 8.723 9.116 -0.393 19390 2041 1 8 . 1 1 34 34 VAL N N 34 124.737 124.737 126.933 -2.196 19390 2042 1 8 . 1 1 34 34 VAL HA H 34 5.290 5.290 5.444 -0.154 19390 2043 1 8 . 1 1 34 34 VAL CA C 34 61.163 61.163 61.068 0.095 19390 2044 1 8 . 1 1 34 34 VAL CB C 34 33.901 33.901 34.384 -0.483 19390 2045 1 8 . 1 1 34 34 VAL H H 34 8.296 8.296 8.626 -0.330 19390 2046 1 8 . 1 1 35 35 ILE N N 35 125.451 125.451 127.350 -1.899 19390 2047 1 8 . 1 1 35 35 ILE HA H 35 5.040 5.040 4.805 0.235 19390 2048 1 8 . 1 1 35 35 ILE CA C 35 57.790 57.790 57.864 -0.074 19390 2049 1 8 . 1 1 35 35 ILE CB C 35 42.244 42.244 41.262 0.982 19390 2050 1 8 . 1 1 35 35 ILE H H 35 8.920 8.920 9.005 -0.085 19390 2051 1 8 . 1 1 36 36 PRO HA H 36 4.117 4.117 4.033 0.084 19390 2052 1 8 . 1 1 36 36 PRO CA C 36 63.249 63.249 62.725 0.524 19390 2053 1 8 . 1 1 36 36 PRO CB C 36 32.044 32.044 31.706 0.338 19390 2054 1 8 . 1 1 37 37 SER N N 37 116.872 116.872 118.273 -1.401 19390 2055 1 8 . 1 1 37 37 SER HA H 37 3.672 3.672 4.110 -0.438 19390 2056 1 8 . 1 1 37 37 SER CA C 37 60.172 60.172 59.767 0.405 19390 2057 1 8 . 1 1 37 37 SER CB C 37 63.252 63.252 63.679 -0.427 19390 2058 1 8 . 1 1 37 37 SER H H 37 7.847 7.847 8.420 -0.573 19390 2059 1 8 . 1 1 38 38 ASN N N 38 117.181 117.181 118.779 -1.598 19390 2060 1 8 . 1 1 38 38 ASN HA H 38 5.087 5.087 5.118 -0.031 19390 2061 1 8 . 1 1 38 38 ASN CA C 38 50.363 50.363 51.230 -0.867 19390 2062 1 8 . 1 1 38 38 ASN CB C 38 39.385 39.385 40.288 -0.903 19390 2063 1 8 . 1 1 38 38 ASN H H 38 7.951 7.951 7.890 0.061 19390 2064 1 8 . 1 1 39 39 PRO HA H 39 4.227 4.227 4.286 -0.059 19390 2065 1 8 . 1 1 39 39 PRO CA C 39 64.374 64.374 64.067 0.307 19390 2066 1 8 . 1 1 39 39 PRO CB C 39 32.088 32.088 31.547 0.541 19390 2067 1 8 . 1 1 40 40 TYR N N 40 118.056 118.056 117.557 0.499 19390 2068 1 8 . 1 1 40 40 TYR HA H 40 4.509 4.509 4.929 -0.420 19390 2069 1 8 . 1 1 40 40 TYR CA C 40 58.814 58.814 59.434 -0.620 19390 2070 1 8 . 1 1 40 40 TYR CB C 40 37.907 37.907 37.468 0.439 19390 2071 1 8 . 1 1 40 40 TYR H H 40 7.818 7.818 7.521 0.297 19390 2072 1 8 . 1 1 41 41 GLN N N 41 118.923 118.923 119.261 -0.338 19390 2073 1 8 . 1 1 41 41 GLN HA H 41 4.085 4.085 4.007 0.078 19390 2074 1 8 . 1 1 41 41 GLN CA C 41 56.997 56.997 58.516 -1.519 19390 2075 1 8 . 1 1 41 41 GLN CB C 41 29.359 29.359 27.738 1.621 19390 2076 1 8 . 1 1 41 41 GLN H H 41 7.537 7.537 8.248 -0.711 19390 2077 1 8 . 1 1 42 42 GLU N N 42 121.556 121.556 117.404 4.152 19390 2078 1 8 . 1 1 42 42 GLU HA H 42 3.983 3.983 4.017 -0.034 19390 2079 1 8 . 1 1 42 42 GLU CA C 42 58.700 58.700 58.672 0.028 19390 2080 1 8 . 1 1 42 42 GLU CB C 42 29.600 29.600 29.376 0.224 19390 2081 1 8 . 1 1 42 42 GLU H H 42 8.294 8.294 7.650 0.644 19390 2082 1 8 . 1 1 43 43 GLN N N 43 117.353 117.353 117.233 0.120 19390 2083 1 8 . 1 1 43 43 GLN HA H 43 4.266 4.266 4.239 0.027 19390 2084 1 8 . 1 1 43 43 GLN CA C 43 56.668 56.668 57.826 -1.158 19390 2085 1 8 . 1 1 43 43 GLN CB C 43 29.038 29.038 29.578 -0.540 19390 2086 1 8 . 1 1 43 43 GLN H H 43 7.898 7.898 7.299 0.599 19390 2087 1 8 . 1 1 44 44 LEU N N 44 120.635 120.635 122.838 -2.203 19390 2088 1 8 . 1 1 44 44 LEU HA H 44 4.365 4.365 4.464 -0.099 19390 2089 1 8 . 1 1 44 44 LEU CA C 44 54.935 54.935 53.315 1.620 19390 2090 1 8 . 1 1 44 44 LEU CB C 44 42.453 42.453 40.355 2.098 19390 2091 1 8 . 1 1 44 44 LEU H H 44 7.613 7.613 8.230 -0.617 19390 2092 1 8 . 1 1 45 45 SER N N 45 114.883 114.883 115.378 -0.495 19390 2093 1 8 . 1 1 45 45 SER HA H 45 4.273 4.273 4.406 -0.133 19390 2094 1 8 . 1 1 45 45 SER CA C 45 59.272 59.272 57.916 1.356 19390 2095 1 8 . 1 1 45 45 SER CB C 45 63.636 63.636 63.356 0.280 19390 2096 1 8 . 1 1 45 45 SER H H 45 7.696 7.696 7.704 -0.008 19390 2097 1 8 . 1 1 46 46 ASP N N 46 122.467 122.467 123.853 -1.386 19390 2098 1 8 . 1 1 46 46 ASP HA H 46 4.762 4.762 4.648 0.114 19390 2099 1 8 . 1 1 46 46 ASP CA C 46 53.897 53.897 55.033 -1.136 19390 2100 1 8 . 1 1 46 46 ASP CB C 46 41.083 41.083 41.148 -0.065 19390 2101 1 8 . 1 1 46 46 ASP H H 46 8.352 8.352 8.359 -0.007 19390 2102 1 8 . 1 1 47 47 THR N N 47 113.208 113.208 113.726 -0.518 19390 2103 1 8 . 1 1 47 47 THR HA H 47 4.708 4.708 4.834 -0.126 19390 2104 1 8 . 1 1 47 47 THR CA C 47 59.767 59.767 59.011 0.755 19390 2105 1 8 . 1 1 47 47 THR CB C 47 69.342 69.342 69.891 -0.548 19390 2106 1 8 . 1 1 47 47 THR H H 47 7.696 7.696 7.498 0.198 19390 2107 1 8 . 1 1 48 48 PRO HA H 48 4.459 4.459 4.606 -0.147 19390 2108 1 8 . 1 1 48 48 PRO CA C 48 63.397 63.397 62.659 0.738 19390 2109 1 8 . 1 1 48 48 PRO CB C 48 32.484 32.484 32.757 -0.273 19390 2110 1 8 . 1 1 49 49 LEU N N 49 121.960 121.960 121.778 0.182 19390 2111 1 8 . 1 1 49 49 LEU HA H 49 4.346 4.346 4.543 -0.197 19390 2112 1 8 . 1 1 49 49 LEU CA C 49 54.134 54.134 54.140 -0.006 19390 2113 1 8 . 1 1 49 49 LEU CB C 49 43.308 43.308 42.616 0.692 19390 2114 1 8 . 1 1 49 49 LEU H H 49 8.114 8.114 8.401 -0.287 19390 2115 1 8 . 1 1 50 50 ILE N N 50 126.325 126.325 126.101 0.224 19390 2116 1 8 . 1 1 50 50 ILE HA H 50 4.485 4.485 4.486 -0.001 19390 2117 1 8 . 1 1 50 50 ILE CA C 50 58.184 58.184 58.492 -0.308 19390 2118 1 8 . 1 1 50 50 ILE CB C 50 40.050 40.050 39.170 0.880 19390 2119 1 8 . 1 1 50 50 ILE H H 50 9.351 9.351 9.008 0.343 19390 2120 1 8 . 1 1 51 51 PRO HA H 51 4.940 4.940 4.843 0.097 19390 2121 1 8 . 1 1 51 51 PRO CA C 51 61.995 61.995 62.460 -0.465 19390 2122 1 8 . 1 1 51 51 PRO CB C 51 32.280 32.280 32.180 0.100 19390 2123 1 8 . 1 1 52 52 LEU N N 52 121.794 121.794 126.691 -4.897 19390 2124 1 8 . 1 1 52 52 LEU HA H 52 5.265 5.265 4.544 0.721 19390 2125 1 8 . 1 1 52 52 LEU CA C 52 54.361 54.361 54.719 -0.358 19390 2126 1 8 . 1 1 52 52 LEU CB C 52 46.108 46.108 45.795 0.313 19390 2127 1 8 . 1 1 52 52 LEU H H 52 8.875 8.875 9.026 -0.151 19390 2128 1 8 . 1 1 53 53 THR N N 53 118.726 118.726 119.473 -0.747 19390 2129 1 8 . 1 1 53 53 THR HA H 53 4.922 4.922 4.733 0.189 19390 2130 1 8 . 1 1 53 53 THR CA C 53 62.427 62.427 61.534 0.893 19390 2131 1 8 . 1 1 53 53 THR CB C 53 70.731 70.731 69.361 1.370 19390 2132 1 8 . 1 1 53 53 THR H H 53 8.827 8.827 8.228 0.599 19390 2133 1 8 . 1 1 54 54 ILE N N 54 125.500 125.500 127.507 -2.007 19390 2134 1 8 . 1 1 54 54 ILE HA H 54 4.962 4.962 4.394 0.568 19390 2135 1 8 . 1 1 54 54 ILE CA C 54 60.527 60.527 60.275 0.252 19390 2136 1 8 . 1 1 54 54 ILE CB C 54 40.830 40.830 40.319 0.511 19390 2137 1 8 . 1 1 54 54 ILE H H 54 9.116 9.116 8.962 0.154 19390 2138 1 8 . 1 1 55 55 PHE N N 55 126.244 126.244 125.612 0.632 19390 2139 1 8 . 1 1 55 55 PHE HA H 55 5.386 5.386 5.705 -0.319 19390 2140 1 8 . 1 1 55 55 PHE CA C 55 55.759 55.759 56.260 -0.501 19390 2141 1 8 . 1 1 55 55 PHE CB C 55 41.193 41.193 41.629 -0.436 19390 2142 1 8 . 1 1 55 55 PHE H H 55 9.348 9.348 8.839 0.509 19390 2143 1 8 . 1 1 56 56 VAL N N 56 123.920 123.920 124.382 -0.462 19390 2144 1 8 . 1 1 56 56 VAL HA H 56 4.614 4.614 4.372 0.242 19390 2145 1 8 . 1 1 56 56 VAL CA C 56 62.066 62.066 62.230 -0.163 19390 2146 1 8 . 1 1 56 56 VAL CB C 56 32.730 32.730 32.243 0.487 19390 2147 1 8 . 1 1 56 56 VAL H H 56 8.424 8.424 8.837 -0.413 19390 2148 1 8 . 1 1 57 57 GLY N N 57 113.280 113.280 113.286 -0.006 19390 2149 1 8 . 1 1 57 57 GLY CA C 57 44.513 44.513 44.599 -0.086 19390 2150 1 8 . 1 1 57 57 GLY H H 57 8.483 8.483 8.221 0.262 19390 2151 1 8 . 1 1 58 58 GLU N N 58 118.539 118.539 120.709 -2.170 19390 2152 1 8 . 1 1 58 58 GLU HA H 58 4.412 4.412 4.394 0.018 19390 2153 1 8 . 1 1 58 58 GLU CA C 58 56.298 56.298 56.345 -0.047 19390 2154 1 8 . 1 1 58 58 GLU CB C 58 31.404 31.404 29.445 1.959 19390 2155 1 8 . 1 1 58 58 GLU H H 58 8.283 8.283 8.689 -0.406 19390 2156 1 8 . 1 1 59 59 ASN N N 59 120.870 120.870 123.550 -2.680 19390 2157 1 8 . 1 1 59 59 ASN HA H 59 4.852 4.852 4.619 0.233 19390 2158 1 8 . 1 1 59 59 ASN CA C 59 53.120 53.120 53.546 -0.426 19390 2159 1 8 . 1 1 59 59 ASN CB C 59 39.150 39.150 39.094 0.056 19390 2160 1 8 . 1 1 59 59 ASN H H 59 8.530 8.530 8.664 -0.134 19390 2161 1 8 . 1 1 60 60 THR N N 60 114.187 114.187 112.779 1.408 19390 2162 1 8 . 1 1 60 60 THR HA H 60 4.358 4.358 4.275 0.083 19390 2163 1 8 . 1 1 60 60 THR CA C 60 62.086 62.086 63.031 -0.945 19390 2164 1 8 . 1 1 60 60 THR CB C 60 69.713 69.713 69.191 0.522 19390 2165 1 8 . 1 1 60 60 THR H H 60 8.161 8.161 7.687 0.474 19390 2166 1 8 . 1 1 61 61 GLY N N 61 111.003 111.003 111.917 -0.914 19390 2167 1 8 . 1 1 61 61 GLY CA C 61 45.690 45.690 45.023 0.667 19390 2168 1 8 . 1 1 61 61 GLY H H 61 8.280 8.280 8.222 0.058 19390 2169 1 9 . 1 1 2 2 ALA HA H 2 4.391 4.391 4.611 -0.220 19390 2170 1 9 . 1 1 2 2 ALA CA C 2 52.919 52.919 52.281 0.638 19390 2171 1 9 . 1 1 2 2 ALA CB C 2 19.616 19.616 19.911 -0.295 19390 2172 1 9 . 1 1 3 3 MET HA H 3 4.488 4.488 4.647 -0.159 19390 2173 1 9 . 1 1 3 3 MET CA C 3 55.738 55.738 54.976 0.762 19390 2174 1 9 . 1 1 4 4 GLU N N 4 121.531 121.531 122.510 -0.979 19390 2175 1 9 . 1 1 4 4 GLU HA H 4 4.365 4.365 4.414 -0.049 19390 2176 1 9 . 1 1 4 4 GLU CA C 4 56.625 56.625 56.619 0.006 19390 2177 1 9 . 1 1 4 4 GLU CB C 4 30.398 30.398 30.322 0.076 19390 2178 1 9 . 1 1 4 4 GLU H H 4 8.288 8.288 8.414 -0.126 19390 2179 1 9 . 1 1 5 5 MET N N 5 121.777 121.777 120.435 1.342 19390 2180 1 9 . 1 1 5 5 MET HA H 5 4.877 4.877 5.015 -0.138 19390 2181 1 9 . 1 1 5 5 MET CA C 5 53.509 53.509 52.407 1.102 19390 2182 1 9 . 1 1 5 5 MET CB C 5 33.467 33.467 33.792 -0.325 19390 2183 1 9 . 1 1 5 5 MET H H 5 8.139 8.139 8.035 0.104 19390 2184 1 9 . 1 1 6 6 PRO HA H 6 4.335 4.335 4.495 -0.160 19390 2185 1 9 . 1 1 6 6 PRO CA C 6 63.752 63.752 63.004 0.748 19390 2186 1 9 . 1 1 6 6 PRO CB C 6 31.890 31.890 31.654 0.236 19390 2187 1 9 . 1 1 7 7 THR N N 7 117.518 117.518 117.422 0.096 19390 2188 1 9 . 1 1 7 7 THR HA H 7 4.882 4.882 4.740 0.142 19390 2189 1 9 . 1 1 7 7 THR CA C 7 61.507 61.507 61.475 0.032 19390 2190 1 9 . 1 1 7 7 THR CB C 7 71.440 71.440 70.475 0.965 19390 2191 1 9 . 1 1 7 7 THR H H 7 7.598 7.598 7.830 -0.232 19390 2192 1 9 . 1 1 8 8 PHE N N 8 123.123 123.123 123.851 -0.728 19390 2193 1 9 . 1 1 8 8 PHE HA H 8 4.688 4.688 4.789 -0.101 19390 2194 1 9 . 1 1 8 8 PHE CA C 8 56.645 56.645 56.859 -0.214 19390 2195 1 9 . 1 1 8 8 PHE CB C 8 42.383 42.383 43.121 -0.738 19390 2196 1 9 . 1 1 8 8 PHE H H 8 8.939 8.939 8.997 -0.058 19390 2197 1 9 . 1 1 9 9 TYR N N 9 122.356 122.356 124.999 -2.643 19390 2198 1 9 . 1 1 9 9 TYR HA H 9 5.334 5.334 5.367 -0.033 19390 2199 1 9 . 1 1 9 9 TYR CA C 9 56.921 56.921 56.795 0.126 19390 2200 1 9 . 1 1 9 9 TYR CB C 9 40.008 40.008 40.523 -0.515 19390 2201 1 9 . 1 1 9 9 TYR H H 9 8.503 8.503 8.496 0.007 19390 2202 1 9 . 1 1 10 10 LEU N N 10 124.441 124.441 124.189 0.252 19390 2203 1 9 . 1 1 10 10 LEU HA H 10 4.687 4.687 5.006 -0.319 19390 2204 1 9 . 1 1 10 10 LEU CA C 10 53.736 53.736 52.790 0.946 19390 2205 1 9 . 1 1 10 10 LEU CB C 10 46.193 46.193 46.110 0.083 19390 2206 1 9 . 1 1 10 10 LEU H H 10 8.716 8.716 8.546 0.170 19390 2207 1 9 . 1 1 11 11 ALA N N 11 123.556 123.556 122.819 0.737 19390 2208 1 9 . 1 1 11 11 ALA HA H 11 4.906 4.906 5.301 -0.395 19390 2209 1 9 . 1 1 11 11 ALA CA C 11 51.631 51.631 50.959 0.672 19390 2210 1 9 . 1 1 11 11 ALA CB C 11 20.073 20.073 20.628 -0.555 19390 2211 1 9 . 1 1 11 11 ALA H H 11 8.104 8.104 8.196 -0.092 19390 2212 1 9 . 1 1 12 12 LEU N N 12 121.796 121.796 123.298 -1.502 19390 2213 1 9 . 1 1 12 12 LEU HA H 12 4.502 4.502 4.368 0.134 19390 2214 1 9 . 1 1 12 12 LEU CA C 12 53.050 53.050 53.185 -0.135 19390 2215 1 9 . 1 1 12 12 LEU CB C 12 43.624 43.624 45.346 -1.722 19390 2216 1 9 . 1 1 12 12 LEU H H 12 8.004 8.004 8.770 -0.766 19390 2217 1 9 . 1 1 13 13 HIS N N 13 118.912 118.912 121.352 -2.440 19390 2218 1 9 . 1 1 13 13 HIS HA H 13 4.758 4.758 5.012 -0.254 19390 2219 1 9 . 1 1 13 13 HIS CA C 13 56.865 56.865 56.860 0.005 19390 2220 1 9 . 1 1 13 13 HIS CB C 13 29.731 29.731 30.422 -0.692 19390 2221 1 9 . 1 1 13 13 HIS H H 13 8.659 8.659 8.621 0.038 19390 2222 1 9 . 1 1 14 14 GLY N N 14 111.509 111.509 111.397 0.112 19390 2223 1 9 . 1 1 14 14 GLY CA C 14 46.332 46.332 46.578 -0.245 19390 2224 1 9 . 1 1 14 14 GLY H H 14 8.880 8.880 8.514 0.366 19390 2225 1 9 . 1 1 15 15 GLY N N 15 111.541 111.541 113.705 -2.164 19390 2226 1 9 . 1 1 15 15 GLY CA C 15 46.391 46.391 44.735 1.656 19390 2227 1 9 . 1 1 15 15 GLY H H 15 9.276 9.276 8.493 0.783 19390 2228 1 9 . 1 1 16 16 GLN N N 16 118.322 118.322 120.544 -2.222 19390 2229 1 9 . 1 1 16 16 GLN HA H 16 4.499 4.499 4.483 0.016 19390 2230 1 9 . 1 1 16 16 GLN CA C 16 54.139 54.139 55.541 -1.401 19390 2231 1 9 . 1 1 16 16 GLN CB C 16 30.522 30.522 30.201 0.321 19390 2232 1 9 . 1 1 16 16 GLN H H 16 7.376 7.376 8.068 -0.692 19390 2233 1 9 . 1 1 17 17 THR N N 17 117.250 117.250 118.739 -1.489 19390 2234 1 9 . 1 1 17 17 THR HA H 17 4.662 4.662 4.504 0.158 19390 2235 1 9 . 1 1 17 17 THR CA C 17 63.671 63.671 61.798 1.873 19390 2236 1 9 . 1 1 17 17 THR CB C 17 68.939 68.939 69.689 -0.750 19390 2237 1 9 . 1 1 17 17 THR H H 17 8.379 8.379 8.155 0.224 19390 2238 1 9 . 1 1 18 18 TYR N N 18 127.800 127.800 123.096 4.704 19390 2239 1 9 . 1 1 18 18 TYR HA H 18 4.737 4.737 5.081 -0.344 19390 2240 1 9 . 1 1 18 18 TYR CA C 18 57.312 57.312 56.910 0.402 19390 2241 1 9 . 1 1 18 18 TYR CB C 18 41.411 41.411 42.925 -1.514 19390 2242 1 9 . 1 1 18 18 TYR H H 18 9.556 9.556 8.652 0.904 19390 2243 1 9 . 1 1 19 19 HIS N N 19 121.884 121.884 121.786 0.098 19390 2244 1 9 . 1 1 19 19 HIS HA H 19 5.579 5.579 4.757 0.822 19390 2245 1 9 . 1 1 19 19 HIS CA C 19 54.290 54.290 55.337 -1.046 19390 2246 1 9 . 1 1 19 19 HIS CB C 19 31.704 31.704 31.359 0.345 19390 2247 1 9 . 1 1 19 19 HIS H H 19 9.676 9.676 9.373 0.303 19390 2248 1 9 . 1 1 20 20 LEU N N 20 127.685 127.685 128.036 -0.351 19390 2249 1 9 . 1 1 20 20 LEU HA H 20 5.434 5.434 5.179 0.255 19390 2250 1 9 . 1 1 20 20 LEU CA C 20 54.056 54.056 54.101 -0.045 19390 2251 1 9 . 1 1 20 20 LEU CB C 20 45.997 45.997 43.842 2.155 19390 2252 1 9 . 1 1 20 20 LEU H H 20 9.590 9.590 8.648 0.942 19390 2253 1 9 . 1 1 21 21 ILE N N 21 125.555 125.555 129.031 -3.476 19390 2254 1 9 . 1 1 21 21 ILE HA H 21 4.642 4.642 4.446 0.196 19390 2255 1 9 . 1 1 21 21 ILE CA C 21 61.529 61.529 60.694 0.835 19390 2256 1 9 . 1 1 21 21 ILE CB C 21 42.522 42.522 41.480 1.042 19390 2257 1 9 . 1 1 21 21 ILE H H 21 8.791 8.791 8.897 -0.106 19390 2258 1 9 . 1 1 22 22 VAL N N 22 128.302 128.302 127.510 0.792 19390 2259 1 9 . 1 1 22 22 VAL HA H 22 5.014 5.014 5.199 -0.184 19390 2260 1 9 . 1 1 22 22 VAL CA C 22 59.804 59.804 59.573 0.231 19390 2261 1 9 . 1 1 22 22 VAL CB C 22 33.977 33.977 34.152 -0.175 19390 2262 1 9 . 1 1 22 22 VAL H H 22 9.741 9.741 8.285 1.456 19390 2263 1 9 . 1 1 23 23 ASP N N 23 126.317 126.317 128.096 -1.779 19390 2264 1 9 . 1 1 23 23 ASP HA H 23 4.958 4.958 5.004 -0.046 19390 2265 1 9 . 1 1 23 23 ASP CA C 23 52.823 52.823 53.265 -0.442 19390 2266 1 9 . 1 1 23 23 ASP CB C 23 44.752 44.752 44.425 0.327 19390 2267 1 9 . 1 1 23 23 ASP H H 23 8.595 8.595 8.719 -0.124 19390 2268 1 9 . 1 1 24 24 THR N N 24 111.217 111.217 113.615 -2.398 19390 2269 1 9 . 1 1 24 24 THR HA H 24 5.053 5.053 5.295 -0.242 19390 2270 1 9 . 1 1 24 24 THR CA C 24 60.370 60.370 60.221 0.149 19390 2271 1 9 . 1 1 24 24 THR CB C 24 71.606 71.606 71.846 -0.240 19390 2272 1 9 . 1 1 24 24 THR H H 24 8.769 8.769 8.159 0.610 19390 2273 1 9 . 1 1 25 25 ASP N N 25 122.678 122.678 123.172 -0.494 19390 2274 1 9 . 1 1 25 25 ASP HA H 25 4.815 4.815 4.621 0.194 19390 2275 1 9 . 1 1 25 25 ASP CA C 25 52.701 52.701 52.939 -0.238 19390 2276 1 9 . 1 1 25 25 ASP CB C 25 41.548 41.548 41.159 0.389 19390 2277 1 9 . 1 1 25 25 ASP H H 25 8.351 8.351 8.511 -0.160 19390 2278 1 9 . 1 1 26 26 SER HA H 26 4.273 4.273 4.315 -0.042 19390 2279 1 9 . 1 1 26 26 SER CA C 26 61.172 61.172 60.468 0.704 19390 2280 1 9 . 1 1 26 26 SER CB C 26 63.171 63.171 63.155 0.016 19390 2281 1 9 . 1 1 27 27 LEU N N 27 121.798 121.798 119.954 1.844 19390 2282 1 9 . 1 1 27 27 LEU HA H 27 4.530 4.530 4.398 0.132 19390 2283 1 9 . 1 1 27 27 LEU CA C 27 54.639 54.639 55.246 -0.607 19390 2284 1 9 . 1 1 27 27 LEU CB C 27 42.333 42.333 42.742 -0.409 19390 2285 1 9 . 1 1 27 27 LEU H H 27 8.031 8.031 7.777 0.254 19390 2286 1 9 . 1 1 28 28 GLY N N 28 107.680 107.680 104.899 2.781 19390 2287 1 9 . 1 1 28 28 GLY CA C 28 45.241 45.241 44.555 0.686 19390 2288 1 9 . 1 1 28 28 GLY H H 28 8.053 8.053 8.395 -0.342 19390 2289 1 9 . 1 1 29 29 ASN N N 29 121.531 121.531 120.704 0.827 19390 2290 1 9 . 1 1 29 29 ASN HA H 29 5.084 5.084 5.103 -0.019 19390 2291 1 9 . 1 1 29 29 ASN CA C 29 51.422 51.422 51.645 -0.223 19390 2292 1 9 . 1 1 29 29 ASN CB C 29 38.385 38.385 39.269 -0.884 19390 2293 1 9 . 1 1 29 29 ASN H H 29 8.761 8.761 8.904 -0.143 19390 2294 1 9 . 1 1 30 30 PRO HA H 30 5.220 5.220 4.947 0.273 19390 2295 1 9 . 1 1 30 30 PRO CA C 30 62.660 62.660 62.583 0.077 19390 2296 1 9 . 1 1 30 30 PRO CB C 30 32.898 32.898 32.752 0.146 19390 2297 1 9 . 1 1 31 31 SER N N 31 116.249 116.249 117.925 -1.676 19390 2298 1 9 . 1 1 31 31 SER HA H 31 4.675 4.675 4.925 -0.250 19390 2299 1 9 . 1 1 31 31 SER CA C 31 57.027 57.027 56.916 0.112 19390 2300 1 9 . 1 1 31 31 SER CB C 31 65.495 65.495 65.268 0.227 19390 2301 1 9 . 1 1 31 31 SER H H 31 8.859 8.859 8.953 -0.094 19390 2302 1 9 . 1 1 32 32 LEU N N 32 123.992 123.992 126.310 -2.318 19390 2303 1 9 . 1 1 32 32 LEU HA H 32 4.910 4.910 5.039 -0.129 19390 2304 1 9 . 1 1 32 32 LEU CA C 32 54.226 54.226 53.685 0.541 19390 2305 1 9 . 1 1 32 32 LEU CB C 32 44.693 44.693 45.142 -0.449 19390 2306 1 9 . 1 1 32 32 LEU H H 32 7.566 7.566 8.556 -0.990 19390 2307 1 9 . 1 1 33 33 SER N N 33 120.489 120.489 123.628 -3.139 19390 2308 1 9 . 1 1 33 33 SER HA H 33 4.750 4.750 4.869 -0.119 19390 2309 1 9 . 1 1 33 33 SER CA C 33 57.236 57.236 57.119 0.117 19390 2310 1 9 . 1 1 33 33 SER CB C 33 65.138 65.138 64.876 0.262 19390 2311 1 9 . 1 1 33 33 SER H H 33 8.723 8.723 9.106 -0.383 19390 2312 1 9 . 1 1 34 34 VAL N N 34 124.737 124.737 126.609 -1.872 19390 2313 1 9 . 1 1 34 34 VAL HA H 34 5.290 5.290 5.445 -0.155 19390 2314 1 9 . 1 1 34 34 VAL CA C 34 61.163 61.163 60.725 0.438 19390 2315 1 9 . 1 1 34 34 VAL CB C 34 33.901 33.901 34.320 -0.419 19390 2316 1 9 . 1 1 34 34 VAL H H 34 8.296 8.296 8.573 -0.277 19390 2317 1 9 . 1 1 35 35 ILE N N 35 125.451 125.451 126.798 -1.347 19390 2318 1 9 . 1 1 35 35 ILE HA H 35 5.040 5.040 4.819 0.221 19390 2319 1 9 . 1 1 35 35 ILE CA C 35 57.790 57.790 57.802 -0.012 19390 2320 1 9 . 1 1 35 35 ILE CB C 35 42.244 42.244 41.012 1.232 19390 2321 1 9 . 1 1 35 35 ILE H H 35 8.920 8.920 8.905 0.015 19390 2322 1 9 . 1 1 36 36 PRO HA H 36 4.117 4.117 4.374 -0.257 19390 2323 1 9 . 1 1 36 36 PRO CA C 36 63.249 63.249 62.658 0.591 19390 2324 1 9 . 1 1 36 36 PRO CB C 36 32.044 32.044 31.663 0.381 19390 2325 1 9 . 1 1 37 37 SER N N 37 116.872 116.872 118.344 -1.472 19390 2326 1 9 . 1 1 37 37 SER HA H 37 3.672 3.672 4.321 -0.649 19390 2327 1 9 . 1 1 37 37 SER CA C 37 60.172 60.172 60.132 0.040 19390 2328 1 9 . 1 1 37 37 SER CB C 37 63.252 63.252 63.564 -0.312 19390 2329 1 9 . 1 1 37 37 SER H H 37 7.847 7.847 8.713 -0.866 19390 2330 1 9 . 1 1 38 38 ASN N N 38 117.181 117.181 118.823 -1.642 19390 2331 1 9 . 1 1 38 38 ASN HA H 38 5.087 5.087 5.158 -0.071 19390 2332 1 9 . 1 1 38 38 ASN CA C 38 50.363 50.363 50.004 0.359 19390 2333 1 9 . 1 1 38 38 ASN CB C 38 39.385 39.385 39.989 -0.604 19390 2334 1 9 . 1 1 38 38 ASN H H 38 7.951 7.951 7.830 0.121 19390 2335 1 9 . 1 1 39 39 PRO HA H 39 4.227 4.227 4.249 -0.022 19390 2336 1 9 . 1 1 39 39 PRO CA C 39 64.374 64.374 64.384 -0.010 19390 2337 1 9 . 1 1 39 39 PRO CB C 39 32.088 32.088 31.832 0.256 19390 2338 1 9 . 1 1 40 40 TYR N N 40 118.056 118.056 117.716 0.340 19390 2339 1 9 . 1 1 40 40 TYR HA H 40 4.509 4.509 4.382 0.127 19390 2340 1 9 . 1 1 40 40 TYR CA C 40 58.814 58.814 60.605 -1.791 19390 2341 1 9 . 1 1 40 40 TYR CB C 40 37.907 37.907 37.609 0.298 19390 2342 1 9 . 1 1 40 40 TYR H H 40 7.818 7.818 8.052 -0.234 19390 2343 1 9 . 1 1 41 41 GLN N N 41 118.923 118.923 118.610 0.313 19390 2344 1 9 . 1 1 41 41 GLN HA H 41 4.085 4.085 4.083 0.002 19390 2345 1 9 . 1 1 41 41 GLN CA C 41 56.997 56.997 58.436 -1.439 19390 2346 1 9 . 1 1 41 41 GLN CB C 41 29.359 29.359 28.014 1.345 19390 2347 1 9 . 1 1 41 41 GLN H H 41 7.537 7.537 7.758 -0.221 19390 2348 1 9 . 1 1 42 42 GLU N N 42 121.556 121.556 117.555 4.001 19390 2349 1 9 . 1 1 42 42 GLU HA H 42 3.983 3.983 4.152 -0.169 19390 2350 1 9 . 1 1 42 42 GLU CA C 42 58.700 58.700 58.519 0.181 19390 2351 1 9 . 1 1 42 42 GLU CB C 42 29.600 29.600 29.056 0.544 19390 2352 1 9 . 1 1 42 42 GLU H H 42 8.294 8.294 7.783 0.511 19390 2353 1 9 . 1 1 43 43 GLN N N 43 117.353 117.353 117.759 -0.406 19390 2354 1 9 . 1 1 43 43 GLN HA H 43 4.266 4.266 4.295 -0.029 19390 2355 1 9 . 1 1 43 43 GLN CA C 43 56.668 56.668 57.676 -1.008 19390 2356 1 9 . 1 1 43 43 GLN CB C 43 29.038 29.038 29.884 -0.845 19390 2357 1 9 . 1 1 43 43 GLN H H 43 7.898 7.898 7.553 0.345 19390 2358 1 9 . 1 1 44 44 LEU N N 44 120.635 120.635 122.574 -1.939 19390 2359 1 9 . 1 1 44 44 LEU HA H 44 4.365 4.365 4.477 -0.112 19390 2360 1 9 . 1 1 44 44 LEU CA C 44 54.935 54.935 53.446 1.489 19390 2361 1 9 . 1 1 44 44 LEU CB C 44 42.453 42.453 40.830 1.623 19390 2362 1 9 . 1 1 44 44 LEU H H 44 7.613 7.613 8.287 -0.674 19390 2363 1 9 . 1 1 45 45 SER N N 45 114.883 114.883 117.793 -2.910 19390 2364 1 9 . 1 1 45 45 SER HA H 45 4.273 4.273 4.449 -0.176 19390 2365 1 9 . 1 1 45 45 SER CA C 45 59.272 59.272 58.100 1.171 19390 2366 1 9 . 1 1 45 45 SER CB C 45 63.636 63.636 62.479 1.157 19390 2367 1 9 . 1 1 45 45 SER H H 45 7.696 7.696 7.730 -0.034 19390 2368 1 9 . 1 1 46 46 ASP N N 46 122.467 122.467 123.301 -0.834 19390 2369 1 9 . 1 1 46 46 ASP HA H 46 4.762 4.762 4.648 0.114 19390 2370 1 9 . 1 1 46 46 ASP CA C 46 53.897 53.897 54.943 -1.046 19390 2371 1 9 . 1 1 46 46 ASP CB C 46 41.083 41.083 41.260 -0.177 19390 2372 1 9 . 1 1 46 46 ASP H H 46 8.352 8.352 8.149 0.203 19390 2373 1 9 . 1 1 47 47 THR N N 47 113.208 113.208 113.407 -0.199 19390 2374 1 9 . 1 1 47 47 THR HA H 47 4.708 4.708 4.873 -0.165 19390 2375 1 9 . 1 1 47 47 THR CA C 47 59.767 59.767 58.583 1.184 19390 2376 1 9 . 1 1 47 47 THR CB C 47 69.342 69.342 69.734 -0.392 19390 2377 1 9 . 1 1 47 47 THR H H 47 7.696 7.696 7.608 0.088 19390 2378 1 9 . 1 1 48 48 PRO HA H 48 4.459 4.459 4.546 -0.087 19390 2379 1 9 . 1 1 48 48 PRO CA C 48 63.397 63.397 62.809 0.587 19390 2380 1 9 . 1 1 48 48 PRO CB C 48 32.484 32.484 32.660 -0.176 19390 2381 1 9 . 1 1 49 49 LEU N N 49 121.960 121.960 122.330 -0.370 19390 2382 1 9 . 1 1 49 49 LEU HA H 49 4.346 4.346 4.435 -0.089 19390 2383 1 9 . 1 1 49 49 LEU CA C 49 54.134 54.134 54.223 -0.089 19390 2384 1 9 . 1 1 49 49 LEU CB C 49 43.308 43.308 42.600 0.708 19390 2385 1 9 . 1 1 49 49 LEU H H 49 8.114 8.114 8.425 -0.311 19390 2386 1 9 . 1 1 50 50 ILE N N 50 126.325 126.325 126.121 0.204 19390 2387 1 9 . 1 1 50 50 ILE HA H 50 4.485 4.485 4.486 -0.001 19390 2388 1 9 . 1 1 50 50 ILE CA C 50 58.184 58.184 58.534 -0.350 19390 2389 1 9 . 1 1 50 50 ILE CB C 50 40.050 40.050 39.251 0.799 19390 2390 1 9 . 1 1 50 50 ILE H H 50 9.351 9.351 9.005 0.346 19390 2391 1 9 . 1 1 51 51 PRO HA H 51 4.940 4.940 4.955 -0.015 19390 2392 1 9 . 1 1 51 51 PRO CA C 51 61.995 61.995 61.830 0.165 19390 2393 1 9 . 1 1 51 51 PRO CB C 51 32.280 32.280 32.334 -0.055 19390 2394 1 9 . 1 1 52 52 LEU N N 52 121.794 121.794 125.615 -3.821 19390 2395 1 9 . 1 1 52 52 LEU HA H 52 5.265 5.265 4.563 0.702 19390 2396 1 9 . 1 1 52 52 LEU CA C 52 54.361 54.361 54.609 -0.248 19390 2397 1 9 . 1 1 52 52 LEU CB C 52 46.108 46.108 45.442 0.666 19390 2398 1 9 . 1 1 52 52 LEU H H 52 8.875 8.875 8.902 -0.027 19390 2399 1 9 . 1 1 53 53 THR N N 53 118.726 118.726 120.567 -1.841 19390 2400 1 9 . 1 1 53 53 THR HA H 53 4.922 4.922 4.829 0.093 19390 2401 1 9 . 1 1 53 53 THR CA C 53 62.427 62.427 61.748 0.679 19390 2402 1 9 . 1 1 53 53 THR CB C 53 70.731 70.731 69.416 1.315 19390 2403 1 9 . 1 1 53 53 THR H H 53 8.827 8.827 8.363 0.464 19390 2404 1 9 . 1 1 54 54 ILE N N 54 125.500 125.500 128.434 -2.934 19390 2405 1 9 . 1 1 54 54 ILE HA H 54 4.962 4.962 4.415 0.547 19390 2406 1 9 . 1 1 54 54 ILE CA C 54 60.527 60.527 60.356 0.171 19390 2407 1 9 . 1 1 54 54 ILE CB C 54 40.830 40.830 40.130 0.700 19390 2408 1 9 . 1 1 54 54 ILE H H 54 9.116 9.116 9.028 0.088 19390 2409 1 9 . 1 1 55 55 PHE N N 55 126.244 126.244 126.169 0.075 19390 2410 1 9 . 1 1 55 55 PHE HA H 55 5.386 5.386 4.983 0.403 19390 2411 1 9 . 1 1 55 55 PHE CA C 55 55.759 55.759 57.035 -1.276 19390 2412 1 9 . 1 1 55 55 PHE CB C 55 41.193 41.193 41.120 0.074 19390 2413 1 9 . 1 1 55 55 PHE H H 55 9.348 9.348 8.734 0.614 19390 2414 1 9 . 1 1 56 56 VAL N N 56 123.920 123.920 122.720 1.200 19390 2415 1 9 . 1 1 56 56 VAL HA H 56 4.614 4.614 4.354 0.260 19390 2416 1 9 . 1 1 56 56 VAL CA C 56 62.066 62.066 61.616 0.450 19390 2417 1 9 . 1 1 56 56 VAL CB C 56 32.730 32.730 33.501 -0.771 19390 2418 1 9 . 1 1 56 56 VAL H H 56 8.424 8.424 8.328 0.096 19390 2419 1 9 . 1 1 57 57 GLY N N 57 113.280 113.280 114.090 -0.810 19390 2420 1 9 . 1 1 57 57 GLY CA C 57 44.513 44.513 45.041 -0.528 19390 2421 1 9 . 1 1 57 57 GLY H H 57 8.483 8.483 8.436 0.047 19390 2422 1 9 . 1 1 58 58 GLU N N 58 118.539 118.539 119.270 -0.731 19390 2423 1 9 . 1 1 58 58 GLU HA H 58 4.412 4.412 4.414 -0.002 19390 2424 1 9 . 1 1 58 58 GLU CA C 58 56.298 56.298 55.173 1.125 19390 2425 1 9 . 1 1 58 58 GLU CB C 58 31.404 31.404 30.487 0.917 19390 2426 1 9 . 1 1 58 58 GLU H H 58 8.283 8.283 8.337 -0.054 19390 2427 1 9 . 1 1 59 59 ASN N N 59 120.870 120.870 118.380 2.490 19390 2428 1 9 . 1 1 59 59 ASN HA H 59 4.852 4.852 4.376 0.476 19390 2429 1 9 . 1 1 59 59 ASN CA C 59 53.120 53.120 55.252 -2.132 19390 2430 1 9 . 1 1 59 59 ASN CB C 59 39.150 39.150 38.721 0.429 19390 2431 1 9 . 1 1 59 59 ASN H H 59 8.530 8.530 8.655 -0.125 19390 2432 1 9 . 1 1 60 60 THR N N 60 114.187 114.187 111.129 3.058 19390 2433 1 9 . 1 1 60 60 THR HA H 60 4.358 4.358 3.932 0.426 19390 2434 1 9 . 1 1 60 60 THR CA C 60 62.086 62.086 62.803 -0.717 19390 2435 1 9 . 1 1 60 60 THR CB C 60 69.713 69.713 66.696 3.017 19390 2436 1 9 . 1 1 60 60 THR H H 60 8.161 8.161 8.595 -0.434 19390 2437 1 9 . 1 1 61 61 GLY N N 61 111.003 111.003 108.007 2.996 19390 2438 1 9 . 1 1 61 61 GLY CA C 61 45.690 45.690 44.650 1.040 19390 2439 1 9 . 1 1 61 61 GLY H H 61 8.280 8.280 8.055 0.225 19390 2440 1 10 . 1 1 2 2 ALA HA H 2 4.391 4.391 4.703 -0.312 19390 2441 1 10 . 1 1 2 2 ALA CA C 2 52.919 52.919 52.066 0.852 19390 2442 1 10 . 1 1 2 2 ALA CB C 2 19.616 19.616 17.630 1.986 19390 2443 1 10 . 1 1 3 3 MET HA H 3 4.488 4.488 4.797 -0.309 19390 2444 1 10 . 1 1 3 3 MET CA C 3 55.738 55.738 54.680 1.058 19390 2445 1 10 . 1 1 4 4 GLU N N 4 121.531 121.531 122.329 -0.798 19390 2446 1 10 . 1 1 4 4 GLU HA H 4 4.365 4.365 4.598 -0.233 19390 2447 1 10 . 1 1 4 4 GLU CA C 4 56.625 56.625 56.225 0.400 19390 2448 1 10 . 1 1 4 4 GLU CB C 4 30.398 30.398 31.102 -0.704 19390 2449 1 10 . 1 1 4 4 GLU H H 4 8.288 8.288 8.527 -0.239 19390 2450 1 10 . 1 1 5 5 MET N N 5 121.777 121.777 120.994 0.783 19390 2451 1 10 . 1 1 5 5 MET HA H 5 4.877 4.877 5.030 -0.153 19390 2452 1 10 . 1 1 5 5 MET CA C 5 53.509 53.509 52.653 0.856 19390 2453 1 10 . 1 1 5 5 MET CB C 5 33.467 33.467 33.340 0.127 19390 2454 1 10 . 1 1 5 5 MET H H 5 8.139 8.139 8.218 -0.079 19390 2455 1 10 . 1 1 6 6 PRO HA H 6 4.335 4.335 4.229 0.106 19390 2456 1 10 . 1 1 6 6 PRO CA C 6 63.752 63.752 63.909 -0.157 19390 2457 1 10 . 1 1 6 6 PRO CB C 6 31.890 31.890 31.709 0.181 19390 2458 1 10 . 1 1 7 7 THR N N 7 117.518 117.518 118.798 -1.280 19390 2459 1 10 . 1 1 7 7 THR HA H 7 4.882 4.882 4.657 0.225 19390 2460 1 10 . 1 1 7 7 THR CA C 7 61.507 61.507 61.647 -0.140 19390 2461 1 10 . 1 1 7 7 THR CB C 7 71.440 71.440 70.350 1.090 19390 2462 1 10 . 1 1 7 7 THR H H 7 7.598 7.598 7.828 -0.230 19390 2463 1 10 . 1 1 8 8 PHE N N 8 123.123 123.123 125.980 -2.857 19390 2464 1 10 . 1 1 8 8 PHE HA H 8 4.688 4.688 4.777 -0.089 19390 2465 1 10 . 1 1 8 8 PHE CA C 8 56.645 56.645 56.742 -0.097 19390 2466 1 10 . 1 1 8 8 PHE CB C 8 42.383 42.383 43.244 -0.861 19390 2467 1 10 . 1 1 8 8 PHE H H 8 8.939 8.939 9.080 -0.141 19390 2468 1 10 . 1 1 9 9 TYR N N 9 122.356 122.356 125.019 -2.663 19390 2469 1 10 . 1 1 9 9 TYR HA H 9 5.334 5.334 5.294 0.040 19390 2470 1 10 . 1 1 9 9 TYR CA C 9 56.921 56.921 56.814 0.107 19390 2471 1 10 . 1 1 9 9 TYR CB C 9 40.008 40.008 40.444 -0.436 19390 2472 1 10 . 1 1 9 9 TYR H H 9 8.503 8.503 8.491 0.012 19390 2473 1 10 . 1 1 10 10 LEU N N 10 124.441 124.441 124.264 0.177 19390 2474 1 10 . 1 1 10 10 LEU HA H 10 4.687 4.687 4.984 -0.297 19390 2475 1 10 . 1 1 10 10 LEU CA C 10 53.736 53.736 52.783 0.953 19390 2476 1 10 . 1 1 10 10 LEU CB C 10 46.193 46.193 46.044 0.150 19390 2477 1 10 . 1 1 10 10 LEU H H 10 8.716 8.716 8.564 0.152 19390 2478 1 10 . 1 1 11 11 ALA N N 11 123.556 123.556 122.786 0.770 19390 2479 1 10 . 1 1 11 11 ALA HA H 11 4.906 4.906 5.273 -0.367 19390 2480 1 10 . 1 1 11 11 ALA CA C 11 51.631 51.631 50.906 0.725 19390 2481 1 10 . 1 1 11 11 ALA CB C 11 20.073 20.073 20.524 -0.451 19390 2482 1 10 . 1 1 11 11 ALA H H 11 8.104 8.104 8.197 -0.093 19390 2483 1 10 . 1 1 12 12 LEU N N 12 121.796 121.796 123.271 -1.475 19390 2484 1 10 . 1 1 12 12 LEU HA H 12 4.502 4.502 4.392 0.110 19390 2485 1 10 . 1 1 12 12 LEU CA C 12 53.050 53.050 53.103 -0.053 19390 2486 1 10 . 1 1 12 12 LEU CB C 12 43.624 43.624 45.116 -1.492 19390 2487 1 10 . 1 1 12 12 LEU H H 12 8.004 8.004 8.679 -0.675 19390 2488 1 10 . 1 1 13 13 HIS N N 13 118.912 118.912 121.572 -2.660 19390 2489 1 10 . 1 1 13 13 HIS HA H 13 4.758 4.758 5.019 -0.261 19390 2490 1 10 . 1 1 13 13 HIS CA C 13 56.865 56.865 56.949 -0.083 19390 2491 1 10 . 1 1 13 13 HIS CB C 13 29.731 29.731 30.187 -0.456 19390 2492 1 10 . 1 1 13 13 HIS H H 13 8.659 8.659 8.429 0.230 19390 2493 1 10 . 1 1 14 14 GLY N N 14 111.509 111.509 112.482 -0.973 19390 2494 1 10 . 1 1 14 14 GLY CA C 14 46.332 46.332 46.575 -0.243 19390 2495 1 10 . 1 1 14 14 GLY H H 14 8.880 8.880 8.771 0.109 19390 2496 1 10 . 1 1 15 15 GLY N N 15 111.541 111.541 113.428 -1.887 19390 2497 1 10 . 1 1 15 15 GLY CA C 15 46.391 46.391 44.790 1.601 19390 2498 1 10 . 1 1 15 15 GLY H H 15 9.276 9.276 8.631 0.645 19390 2499 1 10 . 1 1 16 16 GLN N N 16 118.322 118.322 120.634 -2.312 19390 2500 1 10 . 1 1 16 16 GLN HA H 16 4.499 4.499 4.498 0.001 19390 2501 1 10 . 1 1 16 16 GLN CA C 16 54.139 54.139 55.334 -1.195 19390 2502 1 10 . 1 1 16 16 GLN CB C 16 30.522 30.522 30.465 0.057 19390 2503 1 10 . 1 1 16 16 GLN H H 16 7.376 7.376 8.032 -0.656 19390 2504 1 10 . 1 1 17 17 THR N N 17 117.250 117.250 118.324 -1.074 19390 2505 1 10 . 1 1 17 17 THR HA H 17 4.662 4.662 4.555 0.107 19390 2506 1 10 . 1 1 17 17 THR CA C 17 63.671 63.671 61.784 1.887 19390 2507 1 10 . 1 1 17 17 THR CB C 17 68.939 68.939 69.963 -1.024 19390 2508 1 10 . 1 1 17 17 THR H H 17 8.379 8.379 8.185 0.194 19390 2509 1 10 . 1 1 18 18 TYR N N 18 127.800 127.800 122.906 4.894 19390 2510 1 10 . 1 1 18 18 TYR HA H 18 4.737 4.737 5.000 -0.263 19390 2511 1 10 . 1 1 18 18 TYR CA C 18 57.312 57.312 56.999 0.313 19390 2512 1 10 . 1 1 18 18 TYR CB C 18 41.411 41.411 42.928 -1.517 19390 2513 1 10 . 1 1 18 18 TYR H H 18 9.556 9.556 8.668 0.888 19390 2514 1 10 . 1 1 19 19 HIS N N 19 121.884 121.884 121.640 0.244 19390 2515 1 10 . 1 1 19 19 HIS HA H 19 5.579 5.579 4.738 0.841 19390 2516 1 10 . 1 1 19 19 HIS CA C 19 54.290 54.290 55.156 -0.866 19390 2517 1 10 . 1 1 19 19 HIS CB C 19 31.704 31.704 31.315 0.389 19390 2518 1 10 . 1 1 19 19 HIS H H 19 9.676 9.676 9.316 0.360 19390 2519 1 10 . 1 1 20 20 LEU N N 20 127.685 127.685 128.568 -0.883 19390 2520 1 10 . 1 1 20 20 LEU HA H 20 5.434 5.434 5.156 0.278 19390 2521 1 10 . 1 1 20 20 LEU CA C 20 54.056 54.056 54.137 -0.081 19390 2522 1 10 . 1 1 20 20 LEU CB C 20 45.997 45.997 43.781 2.216 19390 2523 1 10 . 1 1 20 20 LEU H H 20 9.590 9.590 8.670 0.920 19390 2524 1 10 . 1 1 21 21 ILE N N 21 125.555 125.555 129.305 -3.750 19390 2525 1 10 . 1 1 21 21 ILE HA H 21 4.642 4.642 4.423 0.219 19390 2526 1 10 . 1 1 21 21 ILE CA C 21 61.529 61.529 60.689 0.840 19390 2527 1 10 . 1 1 21 21 ILE CB C 21 42.522 42.522 41.405 1.117 19390 2528 1 10 . 1 1 21 21 ILE H H 21 8.791 8.791 9.103 -0.312 19390 2529 1 10 . 1 1 22 22 VAL N N 22 128.302 128.302 127.059 1.243 19390 2530 1 10 . 1 1 22 22 VAL HA H 22 5.014 5.014 5.156 -0.142 19390 2531 1 10 . 1 1 22 22 VAL CA C 22 59.804 59.804 59.860 -0.056 19390 2532 1 10 . 1 1 22 22 VAL CB C 22 33.977 33.977 34.298 -0.321 19390 2533 1 10 . 1 1 22 22 VAL H H 22 9.741 9.741 8.237 1.504 19390 2534 1 10 . 1 1 23 23 ASP N N 23 126.317 126.317 126.648 -0.331 19390 2535 1 10 . 1 1 23 23 ASP HA H 23 4.958 4.958 5.034 -0.076 19390 2536 1 10 . 1 1 23 23 ASP CA C 23 52.823 52.823 53.088 -0.265 19390 2537 1 10 . 1 1 23 23 ASP CB C 23 44.752 44.752 44.855 -0.103 19390 2538 1 10 . 1 1 23 23 ASP H H 23 8.595 8.595 8.735 -0.140 19390 2539 1 10 . 1 1 24 24 THR N N 24 111.217 111.217 112.851 -1.634 19390 2540 1 10 . 1 1 24 24 THR HA H 24 5.053 5.053 5.185 -0.132 19390 2541 1 10 . 1 1 24 24 THR CA C 24 60.370 60.370 60.177 0.193 19390 2542 1 10 . 1 1 24 24 THR CB C 24 71.606 71.606 71.500 0.106 19390 2543 1 10 . 1 1 24 24 THR H H 24 8.769 8.769 8.267 0.502 19390 2544 1 10 . 1 1 25 25 ASP N N 25 122.678 122.678 124.513 -1.835 19390 2545 1 10 . 1 1 25 25 ASP HA H 25 4.815 4.815 4.634 0.181 19390 2546 1 10 . 1 1 25 25 ASP CA C 25 52.701 52.701 53.373 -0.673 19390 2547 1 10 . 1 1 25 25 ASP CB C 25 41.548 41.548 42.059 -0.511 19390 2548 1 10 . 1 1 25 25 ASP H H 25 8.351 8.351 8.866 -0.515 19390 2549 1 10 . 1 1 26 26 SER HA H 26 4.273 4.273 4.305 -0.032 19390 2550 1 10 . 1 1 26 26 SER CA C 26 61.172 61.172 60.539 0.633 19390 2551 1 10 . 1 1 26 26 SER CB C 26 63.171 63.171 63.088 0.083 19390 2552 1 10 . 1 1 27 27 LEU N N 27 121.798 121.798 119.174 2.624 19390 2553 1 10 . 1 1 27 27 LEU HA H 27 4.530 4.530 4.362 0.168 19390 2554 1 10 . 1 1 27 27 LEU CA C 27 54.639 54.639 55.287 -0.648 19390 2555 1 10 . 1 1 27 27 LEU CB C 27 42.333 42.333 42.547 -0.214 19390 2556 1 10 . 1 1 27 27 LEU H H 27 8.031 8.031 8.427 -0.396 19390 2557 1 10 . 1 1 28 28 GLY N N 28 107.680 107.680 104.555 3.125 19390 2558 1 10 . 1 1 28 28 GLY CA C 28 45.241 45.241 44.490 0.751 19390 2559 1 10 . 1 1 28 28 GLY H H 28 8.053 8.053 7.805 0.248 19390 2560 1 10 . 1 1 29 29 ASN N N 29 121.531 121.531 120.722 0.809 19390 2561 1 10 . 1 1 29 29 ASN HA H 29 5.084 5.084 5.189 -0.105 19390 2562 1 10 . 1 1 29 29 ASN CA C 29 51.422 51.422 51.707 -0.285 19390 2563 1 10 . 1 1 29 29 ASN CB C 29 38.385 38.385 39.449 -1.064 19390 2564 1 10 . 1 1 29 29 ASN H H 29 8.761 8.761 9.244 -0.483 19390 2565 1 10 . 1 1 30 30 PRO HA H 30 5.220 5.220 5.349 -0.129 19390 2566 1 10 . 1 1 30 30 PRO CA C 30 62.660 62.660 62.641 0.019 19390 2567 1 10 . 1 1 30 30 PRO CB C 30 32.898 32.898 32.666 0.232 19390 2568 1 10 . 1 1 31 31 SER N N 31 116.249 116.249 116.777 -0.528 19390 2569 1 10 . 1 1 31 31 SER HA H 31 4.675 4.675 4.909 -0.234 19390 2570 1 10 . 1 1 31 31 SER CA C 31 57.027 57.027 57.169 -0.142 19390 2571 1 10 . 1 1 31 31 SER CB C 31 65.495 65.495 64.581 0.915 19390 2572 1 10 . 1 1 31 31 SER H H 31 8.859 8.859 8.966 -0.107 19390 2573 1 10 . 1 1 32 32 LEU N N 32 123.992 123.992 126.387 -2.395 19390 2574 1 10 . 1 1 32 32 LEU HA H 32 4.910 4.910 5.093 -0.183 19390 2575 1 10 . 1 1 32 32 LEU CA C 32 54.226 54.226 53.798 0.428 19390 2576 1 10 . 1 1 32 32 LEU CB C 32 44.693 44.693 44.954 -0.261 19390 2577 1 10 . 1 1 32 32 LEU H H 32 7.566 7.566 8.394 -0.828 19390 2578 1 10 . 1 1 33 33 SER N N 33 120.489 120.489 121.908 -1.419 19390 2579 1 10 . 1 1 33 33 SER HA H 33 4.750 4.750 4.812 -0.062 19390 2580 1 10 . 1 1 33 33 SER CA C 33 57.236 57.236 57.240 -0.004 19390 2581 1 10 . 1 1 33 33 SER CB C 33 65.138 65.138 64.656 0.482 19390 2582 1 10 . 1 1 33 33 SER H H 33 8.723 8.723 9.133 -0.410 19390 2583 1 10 . 1 1 34 34 VAL N N 34 124.737 124.737 127.471 -2.734 19390 2584 1 10 . 1 1 34 34 VAL HA H 34 5.290 5.290 5.396 -0.106 19390 2585 1 10 . 1 1 34 34 VAL CA C 34 61.163 61.163 60.464 0.699 19390 2586 1 10 . 1 1 34 34 VAL CB C 34 33.901 33.901 34.334 -0.433 19390 2587 1 10 . 1 1 34 34 VAL H H 34 8.296 8.296 8.543 -0.247 19390 2588 1 10 . 1 1 35 35 ILE N N 35 125.451 125.451 126.911 -1.460 19390 2589 1 10 . 1 1 35 35 ILE HA H 35 5.040 5.040 4.809 0.231 19390 2590 1 10 . 1 1 35 35 ILE CA C 35 57.790 57.790 57.826 -0.036 19390 2591 1 10 . 1 1 35 35 ILE CB C 35 42.244 42.244 41.161 1.083 19390 2592 1 10 . 1 1 35 35 ILE H H 35 8.920 8.920 8.892 0.028 19390 2593 1 10 . 1 1 36 36 PRO HA H 36 4.117 4.117 4.297 -0.180 19390 2594 1 10 . 1 1 36 36 PRO CA C 36 63.249 63.249 62.728 0.521 19390 2595 1 10 . 1 1 36 36 PRO CB C 36 32.044 32.044 31.700 0.344 19390 2596 1 10 . 1 1 37 37 SER N N 37 116.872 116.872 118.613 -1.741 19390 2597 1 10 . 1 1 37 37 SER HA H 37 3.672 3.672 4.215 -0.543 19390 2598 1 10 . 1 1 37 37 SER CA C 37 60.172 60.172 59.798 0.374 19390 2599 1 10 . 1 1 37 37 SER CB C 37 63.252 63.252 63.619 -0.367 19390 2600 1 10 . 1 1 37 37 SER H H 37 7.847 7.847 8.576 -0.729 19390 2601 1 10 . 1 1 38 38 ASN N N 38 117.181 117.181 119.190 -2.009 19390 2602 1 10 . 1 1 38 38 ASN HA H 38 5.087 5.087 5.173 -0.086 19390 2603 1 10 . 1 1 38 38 ASN CA C 38 50.363 50.363 50.352 0.011 19390 2604 1 10 . 1 1 38 38 ASN CB C 38 39.385 39.385 40.577 -1.192 19390 2605 1 10 . 1 1 38 38 ASN H H 38 7.951 7.951 7.564 0.387 19390 2606 1 10 . 1 1 39 39 PRO HA H 39 4.227 4.227 4.353 -0.126 19390 2607 1 10 . 1 1 39 39 PRO CA C 39 64.374 64.374 64.085 0.289 19390 2608 1 10 . 1 1 39 39 PRO CB C 39 32.088 32.088 31.802 0.286 19390 2609 1 10 . 1 1 40 40 TYR N N 40 118.056 118.056 118.764 -0.708 19390 2610 1 10 . 1 1 40 40 TYR HA H 40 4.509 4.509 4.300 0.209 19390 2611 1 10 . 1 1 40 40 TYR CA C 40 58.814 58.814 61.584 -2.770 19390 2612 1 10 . 1 1 40 40 TYR CB C 40 37.907 37.907 37.724 0.183 19390 2613 1 10 . 1 1 40 40 TYR H H 40 7.818 7.818 7.401 0.417 19390 2614 1 10 . 1 1 41 41 GLN N N 41 118.923 118.923 118.655 0.268 19390 2615 1 10 . 1 1 41 41 GLN HA H 41 4.085 4.085 4.178 -0.093 19390 2616 1 10 . 1 1 41 41 GLN CA C 41 56.997 56.997 58.684 -1.687 19390 2617 1 10 . 1 1 41 41 GLN CB C 41 29.359 29.359 28.451 0.908 19390 2618 1 10 . 1 1 41 41 GLN H H 41 7.537 7.537 8.385 -0.848 19390 2619 1 10 . 1 1 42 42 GLU N N 42 121.556 121.556 118.210 3.346 19390 2620 1 10 . 1 1 42 42 GLU HA H 42 3.983 3.983 4.118 -0.135 19390 2621 1 10 . 1 1 42 42 GLU CA C 42 58.700 58.700 58.685 0.015 19390 2622 1 10 . 1 1 42 42 GLU CB C 42 29.600 29.600 29.299 0.301 19390 2623 1 10 . 1 1 42 42 GLU H H 42 8.294 8.294 7.840 0.454 19390 2624 1 10 . 1 1 43 43 GLN N N 43 117.353 117.353 116.819 0.534 19390 2625 1 10 . 1 1 43 43 GLN HA H 43 4.266 4.266 4.297 -0.031 19390 2626 1 10 . 1 1 43 43 GLN CA C 43 56.668 56.668 57.567 -0.899 19390 2627 1 10 . 1 1 43 43 GLN CB C 43 29.038 29.038 29.460 -0.422 19390 2628 1 10 . 1 1 43 43 GLN H H 43 7.898 7.898 7.536 0.362 19390 2629 1 10 . 1 1 44 44 LEU N N 44 120.635 120.635 123.665 -3.030 19390 2630 1 10 . 1 1 44 44 LEU HA H 44 4.365 4.365 4.542 -0.177 19390 2631 1 10 . 1 1 44 44 LEU CA C 44 54.935 54.935 53.510 1.425 19390 2632 1 10 . 1 1 44 44 LEU CB C 44 42.453 42.453 40.977 1.476 19390 2633 1 10 . 1 1 44 44 LEU H H 44 7.613 7.613 8.266 -0.653 19390 2634 1 10 . 1 1 45 45 SER N N 45 114.883 114.883 117.605 -2.722 19390 2635 1 10 . 1 1 45 45 SER HA H 45 4.273 4.273 4.429 -0.156 19390 2636 1 10 . 1 1 45 45 SER CA C 45 59.272 59.272 58.398 0.875 19390 2637 1 10 . 1 1 45 45 SER CB C 45 63.636 63.636 62.267 1.369 19390 2638 1 10 . 1 1 45 45 SER H H 45 7.696 7.696 7.721 -0.025 19390 2639 1 10 . 1 1 46 46 ASP N N 46 122.467 122.467 124.534 -2.067 19390 2640 1 10 . 1 1 46 46 ASP HA H 46 4.762 4.762 4.728 0.034 19390 2641 1 10 . 1 1 46 46 ASP CA C 46 53.897 53.897 54.992 -1.095 19390 2642 1 10 . 1 1 46 46 ASP CB C 46 41.083 41.083 41.597 -0.514 19390 2643 1 10 . 1 1 46 46 ASP H H 46 8.352 8.352 8.040 0.312 19390 2644 1 10 . 1 1 47 47 THR N N 47 113.208 113.208 113.299 -0.091 19390 2645 1 10 . 1 1 47 47 THR HA H 47 4.708 4.708 4.782 -0.074 19390 2646 1 10 . 1 1 47 47 THR CA C 47 59.767 59.767 58.478 1.289 19390 2647 1 10 . 1 1 47 47 THR CB C 47 69.342 69.342 69.471 -0.129 19390 2648 1 10 . 1 1 47 47 THR H H 47 7.696 7.696 7.606 0.090 19390 2649 1 10 . 1 1 48 48 PRO HA H 48 4.459 4.459 4.572 -0.113 19390 2650 1 10 . 1 1 48 48 PRO CA C 48 63.397 63.397 62.804 0.593 19390 2651 1 10 . 1 1 48 48 PRO CB C 48 32.484 32.484 32.680 -0.196 19390 2652 1 10 . 1 1 49 49 LEU N N 49 121.960 121.960 121.953 0.007 19390 2653 1 10 . 1 1 49 49 LEU HA H 49 4.346 4.346 4.742 -0.396 19390 2654 1 10 . 1 1 49 49 LEU CA C 49 54.134 54.134 53.945 0.189 19390 2655 1 10 . 1 1 49 49 LEU CB C 49 43.308 43.308 43.136 0.172 19390 2656 1 10 . 1 1 49 49 LEU H H 49 8.114 8.114 8.416 -0.302 19390 2657 1 10 . 1 1 50 50 ILE N N 50 126.325 126.325 125.332 0.993 19390 2658 1 10 . 1 1 50 50 ILE HA H 50 4.485 4.485 4.555 -0.070 19390 2659 1 10 . 1 1 50 50 ILE CA C 50 58.184 58.184 58.190 -0.006 19390 2660 1 10 . 1 1 50 50 ILE CB C 50 40.050 40.050 39.693 0.357 19390 2661 1 10 . 1 1 50 50 ILE H H 50 9.351 9.351 8.943 0.408 19390 2662 1 10 . 1 1 51 51 PRO HA H 51 4.940 4.940 4.757 0.183 19390 2663 1 10 . 1 1 51 51 PRO CA C 51 61.995 61.995 62.179 -0.184 19390 2664 1 10 . 1 1 51 51 PRO CB C 51 32.280 32.280 32.115 0.165 19390 2665 1 10 . 1 1 52 52 LEU N N 52 121.794 121.794 126.329 -4.535 19390 2666 1 10 . 1 1 52 52 LEU HA H 52 5.265 5.265 4.519 0.746 19390 2667 1 10 . 1 1 52 52 LEU CA C 52 54.361 54.361 54.494 -0.133 19390 2668 1 10 . 1 1 52 52 LEU CB C 52 46.108 46.108 45.449 0.659 19390 2669 1 10 . 1 1 52 52 LEU H H 52 8.875 8.875 8.880 -0.005 19390 2670 1 10 . 1 1 53 53 THR N N 53 118.726 118.726 119.968 -1.242 19390 2671 1 10 . 1 1 53 53 THR HA H 53 4.922 4.922 4.897 0.025 19390 2672 1 10 . 1 1 53 53 THR CA C 53 62.427 62.427 61.761 0.666 19390 2673 1 10 . 1 1 53 53 THR CB C 53 70.731 70.731 69.335 1.396 19390 2674 1 10 . 1 1 53 53 THR H H 53 8.827 8.827 8.348 0.479 19390 2675 1 10 . 1 1 54 54 ILE N N 54 125.500 125.500 127.839 -2.339 19390 2676 1 10 . 1 1 54 54 ILE HA H 54 4.962 4.962 4.408 0.554 19390 2677 1 10 . 1 1 54 54 ILE CA C 54 60.527 60.527 60.381 0.146 19390 2678 1 10 . 1 1 54 54 ILE CB C 54 40.830 40.830 39.993 0.837 19390 2679 1 10 . 1 1 54 54 ILE H H 54 9.116 9.116 9.050 0.066 19390 2680 1 10 . 1 1 55 55 PHE N N 55 126.244 126.244 126.303 -0.059 19390 2681 1 10 . 1 1 55 55 PHE HA H 55 5.386 5.386 5.703 -0.317 19390 2682 1 10 . 1 1 55 55 PHE CA C 55 55.759 55.759 56.515 -0.756 19390 2683 1 10 . 1 1 55 55 PHE CB C 55 41.193 41.193 41.349 -0.156 19390 2684 1 10 . 1 1 55 55 PHE H H 55 9.348 9.348 8.797 0.551 19390 2685 1 10 . 1 1 56 56 VAL N N 56 123.920 123.920 124.791 -0.871 19390 2686 1 10 . 1 1 56 56 VAL HA H 56 4.614 4.614 4.154 0.460 19390 2687 1 10 . 1 1 56 56 VAL CA C 56 62.066 62.066 62.048 0.018 19390 2688 1 10 . 1 1 56 56 VAL CB C 56 32.730 32.730 33.074 -0.344 19390 2689 1 10 . 1 1 56 56 VAL H H 56 8.424 8.424 8.560 -0.136 19390 2690 1 10 . 1 1 57 57 GLY N N 57 113.280 113.280 114.362 -1.082 19390 2691 1 10 . 1 1 57 57 GLY CA C 57 44.513 44.513 44.760 -0.247 19390 2692 1 10 . 1 1 57 57 GLY H H 57 8.483 8.483 8.413 0.070 19390 2693 1 10 . 1 1 58 58 GLU N N 58 118.539 118.539 121.147 -2.608 19390 2694 1 10 . 1 1 58 58 GLU HA H 58 4.412 4.412 4.196 0.216 19390 2695 1 10 . 1 1 58 58 GLU CA C 58 56.298 56.298 55.727 0.571 19390 2696 1 10 . 1 1 58 58 GLU CB C 58 31.404 31.404 29.541 1.863 19390 2697 1 10 . 1 1 58 58 GLU H H 58 8.283 8.283 8.621 -0.338 19390 2698 1 10 . 1 1 59 59 ASN N N 59 120.870 120.870 120.992 -0.122 19390 2699 1 10 . 1 1 59 59 ASN HA H 59 4.852 4.852 4.658 0.194 19390 2700 1 10 . 1 1 59 59 ASN CA C 59 53.120 53.120 52.995 0.125 19390 2701 1 10 . 1 1 59 59 ASN CB C 59 39.150 39.150 37.492 1.658 19390 2702 1 10 . 1 1 59 59 ASN H H 59 8.530 8.530 8.123 0.407 19390 2703 1 10 . 1 1 60 60 THR N N 60 114.187 114.187 116.161 -1.974 19390 2704 1 10 . 1 1 60 60 THR HA H 60 4.358 4.358 4.425 -0.067 19390 2705 1 10 . 1 1 60 60 THR CA C 60 62.086 62.086 62.234 -0.148 19390 2706 1 10 . 1 1 60 60 THR CB C 60 69.713 69.713 69.341 0.372 19390 2707 1 10 . 1 1 60 60 THR H H 60 8.161 8.161 8.017 0.144 19390 2708 1 10 . 1 1 61 61 GLY N N 61 111.003 111.003 110.106 0.897 19390 2709 1 10 . 1 1 61 61 GLY CA C 61 45.690 45.690 45.376 0.314 19390 2710 1 10 . 1 1 61 61 GLY H H 61 8.280 8.280 7.621 0.659 19390 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 51 2.082 0.700 1.981 19390 2 1 1 "Average Difference" HA 65 0.280 -0.022 0.281 19390 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19390 4 1 1 "Average Difference" CA 60 0.819 -0.078 0.822 19390 5 1 1 "Average Difference" CB 54 0.879 -0.234 0.855 19390 6 1 1 "Average Difference" HN 51 0.470 -0.016 0.475 19390 7 1 2 "Average Difference" N 51 2.373 0.551 2.331 19390 8 1 2 "Average Difference" HA 65 0.284 -0.045 0.283 19390 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19390 10 1 2 "Average Difference" CA 60 0.873 -0.071 0.877 19390 11 1 2 "Average Difference" CB 54 0.832 -0.243 0.803 19390 12 1 2 "Average Difference" HN 51 0.489 -0.023 0.494 19390 13 1 3 "Average Difference" N 51 1.894 0.486 1.849 19390 14 1 3 "Average Difference" HA 65 0.269 -0.043 0.267 19390 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19390 16 1 3 "Average Difference" CA 60 0.764 -0.082 0.766 19390 17 1 3 "Average Difference" CB 54 0.858 -0.215 0.839 19390 18 1 3 "Average Difference" HN 51 0.479 -0.049 0.482 19390 19 1 4 "Average Difference" N 51 2.181 0.837 2.034 19390 20 1 4 "Average Difference" HA 65 0.279 -0.039 0.279 19390 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19390 22 1 4 "Average Difference" CA 60 0.745 -0.132 0.740 19390 23 1 4 "Average Difference" CB 54 0.897 -0.214 0.879 19390 24 1 4 "Average Difference" HN 51 0.474 -0.029 0.478 19390 25 1 5 "Average Difference" N 51 2.374 1.012 2.169 19390 26 1 5 "Average Difference" HA 65 0.273 -0.032 0.273 19390 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19390 28 1 5 "Average Difference" CA 60 0.755 -0.085 0.757 19390 29 1 5 "Average Difference" CB 54 0.913 -0.249 0.887 19390 30 1 5 "Average Difference" HN 51 0.469 -0.007 0.473 19390 31 1 6 "Average Difference" N 51 2.351 0.768 2.244 19390 32 1 6 "Average Difference" HA 65 0.284 -0.053 0.282 19390 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19390 34 1 6 "Average Difference" CA 60 0.782 0.073 0.785 19390 35 1 6 "Average Difference" CB 54 0.905 -0.198 0.891 19390 36 1 6 "Average Difference" HN 51 0.483 0.014 0.488 19390 37 1 7 "Average Difference" N 51 1.947 0.628 1.861 19390 38 1 7 "Average Difference" HA 65 0.304 -0.003 0.306 19390 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19390 40 1 7 "Average Difference" CA 60 0.854 -0.134 0.851 19390 41 1 7 "Average Difference" CB 54 0.823 -0.093 0.825 19390 42 1 7 "Average Difference" HN 51 0.475 -0.004 0.479 19390 43 1 8 "Average Difference" N 51 2.073 0.799 1.932 19390 44 1 8 "Average Difference" HA 65 0.275 -0.033 0.275 19390 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19390 46 1 8 "Average Difference" CA 60 0.695 -0.117 0.691 19390 47 1 8 "Average Difference" CB 54 0.847 -0.159 0.840 19390 48 1 8 "Average Difference" HN 51 0.499 -0.021 0.503 19390 49 1 9 "Average Difference" N 51 1.972 0.484 1.931 19390 50 1 9 "Average Difference" HA 65 0.292 -0.036 0.292 19390 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19390 52 1 9 "Average Difference" CA 60 0.818 -0.114 0.816 19390 53 1 9 "Average Difference" CB 54 0.863 -0.167 0.854 19390 54 1 9 "Average Difference" HN 51 0.455 -0.034 0.459 19390 55 1 10 "Average Difference" N 51 1.993 0.812 1.838 19390 56 1 10 "Average Difference" HA 65 0.286 -0.016 0.288 19390 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19390 58 1 10 "Average Difference" CA 60 0.770 -0.113 0.769 19390 59 1 10 "Average Difference" CB 54 0.861 -0.174 0.852 19390 60 1 10 "Average Difference" HN 51 0.477 -0.039 0.480 19390 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 19390 _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 ALA HA H 2 4.391 4.391 4.567 -0.175 19390 2 1 . 1 1 2 2 ALA CA C 2 52.919 52.919 52.526 0.393 19390 3 1 . 1 1 2 2 ALA CB C 2 19.616 19.616 18.722 0.894 19390 4 1 . 1 1 3 3 MET HA H 3 4.488 4.488 4.560 -0.072 19390 5 1 . 1 1 3 3 MET CA C 3 55.738 55.738 55.882 -0.145 19390 6 1 . 1 1 4 4 GLU N N 4 121.531 121.531 121.595 -0.064 19390 7 1 . 1 1 4 4 GLU HA H 4 4.365 4.365 4.514 -0.149 19390 8 1 . 1 1 4 4 GLU CA C 4 56.625 56.625 55.959 0.666 19390 9 1 . 1 1 4 4 GLU CB C 4 30.398 30.398 29.772 0.626 19390 10 1 . 1 1 4 4 GLU H H 4 8.288 8.288 8.336 -0.049 19390 11 1 . 1 1 5 5 MET N N 5 121.777 121.777 121.262 0.515 19390 12 1 . 1 1 5 5 MET HA H 5 4.877 4.877 4.988 -0.111 19390 13 1 . 1 1 5 5 MET CA C 5 53.509 53.509 52.772 0.737 19390 14 1 . 1 1 5 5 MET CB C 5 33.467 33.467 32.798 0.669 19390 15 1 . 1 1 5 5 MET H H 5 8.139 8.139 8.055 0.084 19390 16 1 . 1 1 6 6 PRO HA H 6 4.335 4.335 4.354 -0.019 19390 17 1 . 1 1 6 6 PRO CA C 6 63.752 63.752 63.271 0.481 19390 18 1 . 1 1 6 6 PRO CB C 6 31.890 31.890 31.878 0.012 19390 19 1 . 1 1 7 7 THR N N 7 117.518 117.518 117.891 -0.373 19390 20 1 . 1 1 7 7 THR HA H 7 4.882 4.882 4.749 0.133 19390 21 1 . 1 1 7 7 THR CA C 7 61.507 61.507 61.308 0.199 19390 22 1 . 1 1 7 7 THR CB C 7 71.440 71.440 70.618 0.822 19390 23 1 . 1 1 7 7 THR H H 7 7.598 7.598 7.827 -0.229 19390 24 1 . 1 1 8 8 PHE N N 8 123.123 123.123 125.282 -2.159 19390 25 1 . 1 1 8 8 PHE HA H 8 4.688 4.688 4.781 -0.093 19390 26 1 . 1 1 8 8 PHE CA C 8 56.645 56.645 56.685 -0.040 19390 27 1 . 1 1 8 8 PHE CB C 8 42.383 42.383 42.889 -0.506 19390 28 1 . 1 1 8 8 PHE H H 8 8.939 8.939 9.103 -0.164 19390 29 1 . 1 1 9 9 TYR N N 9 122.356 122.356 124.601 -2.245 19390 30 1 . 1 1 9 9 TYR HA H 9 5.334 5.334 5.323 0.011 19390 31 1 . 1 1 9 9 TYR CA C 9 56.921 56.921 56.760 0.161 19390 32 1 . 1 1 9 9 TYR CB C 9 40.008 40.008 40.538 -0.530 19390 33 1 . 1 1 9 9 TYR H H 9 8.503 8.503 8.473 0.030 19390 34 1 . 1 1 10 10 LEU N N 10 124.441 124.441 124.160 0.281 19390 35 1 . 1 1 10 10 LEU HA H 10 4.687 4.687 5.021 -0.334 19390 36 1 . 1 1 10 10 LEU CA C 10 53.736 53.736 52.872 0.864 19390 37 1 . 1 1 10 10 LEU CB C 10 46.193 46.193 46.093 0.101 19390 38 1 . 1 1 10 10 LEU H H 10 8.716 8.716 8.628 0.088 19390 39 1 . 1 1 11 11 ALA N N 11 123.556 123.556 122.814 0.742 19390 40 1 . 1 1 11 11 ALA HA H 11 4.906 4.906 5.325 -0.419 19390 41 1 . 1 1 11 11 ALA CA C 11 51.631 51.631 50.968 0.663 19390 42 1 . 1 1 11 11 ALA CB C 11 20.073 20.073 20.605 -0.532 19390 43 1 . 1 1 11 11 ALA H H 11 8.104 8.104 8.215 -0.111 19390 44 1 . 1 1 12 12 LEU N N 12 121.796 121.796 123.637 -1.841 19390 45 1 . 1 1 12 12 LEU HA H 12 4.502 4.502 4.383 0.120 19390 46 1 . 1 1 12 12 LEU CA C 12 53.050 53.050 53.262 -0.212 19390 47 1 . 1 1 12 12 LEU CB C 12 43.624 43.624 45.427 -1.803 19390 48 1 . 1 1 12 12 LEU H H 12 8.004 8.004 8.723 -0.719 19390 49 1 . 1 1 13 13 HIS N N 13 118.912 118.912 121.253 -2.341 19390 50 1 . 1 1 13 13 HIS HA H 13 4.758 4.758 4.929 -0.171 19390 51 1 . 1 1 13 13 HIS CA C 13 56.865 56.865 56.707 0.158 19390 52 1 . 1 1 13 13 HIS CB C 13 29.731 29.731 30.410 -0.679 19390 53 1 . 1 1 13 13 HIS H H 13 8.659 8.659 8.849 -0.190 19390 54 1 . 1 1 14 14 GLY N N 14 111.509 111.509 112.225 -0.716 19390 55 1 . 1 1 14 14 GLY CA C 14 46.332 46.332 46.584 -0.252 19390 56 1 . 1 1 14 14 GLY H H 14 8.880 8.880 8.499 0.381 19390 57 1 . 1 1 15 15 GLY N N 15 111.541 111.541 113.685 -2.144 19390 58 1 . 1 1 15 15 GLY CA C 15 46.391 46.391 44.751 1.640 19390 59 1 . 1 1 15 15 GLY H H 15 9.276 9.276 8.389 0.887 19390 60 1 . 1 1 16 16 GLN N N 16 118.322 118.322 120.232 -1.910 19390 61 1 . 1 1 16 16 GLN HA H 16 4.499 4.499 4.564 -0.066 19390 62 1 . 1 1 16 16 GLN CA C 16 54.139 54.139 54.658 -0.519 19390 63 1 . 1 1 16 16 GLN CB C 16 30.522 30.522 30.247 0.275 19390 64 1 . 1 1 16 16 GLN H H 16 7.376 7.376 8.042 -0.666 19390 65 1 . 1 1 17 17 THR N N 17 117.250 117.250 118.307 -1.057 19390 66 1 . 1 1 17 17 THR HA H 17 4.662 4.662 4.539 0.123 19390 67 1 . 1 1 17 17 THR CA C 17 63.671 63.671 61.945 1.726 19390 68 1 . 1 1 17 17 THR CB C 17 68.939 68.939 69.686 -0.747 19390 69 1 . 1 1 17 17 THR H H 17 8.379 8.379 8.281 0.098 19390 70 1 . 1 1 18 18 TYR N N 18 127.800 127.800 123.075 4.725 19390 71 1 . 1 1 18 18 TYR HA H 18 4.737 4.737 5.043 -0.306 19390 72 1 . 1 1 18 18 TYR CA C 18 57.312 57.312 56.935 0.377 19390 73 1 . 1 1 18 18 TYR CB C 18 41.411 41.411 42.857 -1.446 19390 74 1 . 1 1 18 18 TYR H H 18 9.556 9.556 8.656 0.900 19390 75 1 . 1 1 19 19 HIS N N 19 121.884 121.884 121.742 0.142 19390 76 1 . 1 1 19 19 HIS HA H 19 5.579 5.579 4.758 0.821 19390 77 1 . 1 1 19 19 HIS CA C 19 54.290 54.290 55.277 -0.987 19390 78 1 . 1 1 19 19 HIS CB C 19 31.704 31.704 31.351 0.353 19390 79 1 . 1 1 19 19 HIS H H 19 9.676 9.676 9.339 0.337 19390 80 1 . 1 1 20 20 LEU N N 20 127.685 127.685 128.294 -0.609 19390 81 1 . 1 1 20 20 LEU HA H 20 5.434 5.434 5.199 0.235 19390 82 1 . 1 1 20 20 LEU CA C 20 54.056 54.056 54.095 -0.039 19390 83 1 . 1 1 20 20 LEU CB C 20 45.997 45.997 43.779 2.218 19390 84 1 . 1 1 20 20 LEU H H 20 9.590 9.590 8.664 0.926 19390 85 1 . 1 1 21 21 ILE N N 21 125.555 125.555 129.231 -3.676 19390 86 1 . 1 1 21 21 ILE HA H 21 4.642 4.642 4.438 0.204 19390 87 1 . 1 1 21 21 ILE CA C 21 61.529 61.529 60.640 0.889 19390 88 1 . 1 1 21 21 ILE CB C 21 42.522 42.522 41.412 1.110 19390 89 1 . 1 1 21 21 ILE H H 21 8.791 8.791 9.013 -0.222 19390 90 1 . 1 1 22 22 VAL N N 22 128.302 128.302 127.759 0.543 19390 91 1 . 1 1 22 22 VAL HA H 22 5.014 5.014 5.173 -0.159 19390 92 1 . 1 1 22 22 VAL CA C 22 59.804 59.804 59.698 0.106 19390 93 1 . 1 1 22 22 VAL CB C 22 33.977 33.977 34.071 -0.094 19390 94 1 . 1 1 22 22 VAL H H 22 9.741 9.741 8.326 1.415 19390 95 1 . 1 1 23 23 ASP N N 23 126.317 126.317 127.663 -1.346 19390 96 1 . 1 1 23 23 ASP HA H 23 4.958 4.958 5.021 -0.063 19390 97 1 . 1 1 23 23 ASP CA C 23 52.823 52.823 53.055 -0.232 19390 98 1 . 1 1 23 23 ASP CB C 23 44.752 44.752 44.610 0.142 19390 99 1 . 1 1 23 23 ASP H H 23 8.595 8.595 8.801 -0.206 19390 100 1 . 1 1 24 24 THR N N 24 111.217 111.217 113.013 -1.796 19390 101 1 . 1 1 24 24 THR HA H 24 5.053 5.053 5.131 -0.078 19390 102 1 . 1 1 24 24 THR CA C 24 60.370 60.370 60.361 0.009 19390 103 1 . 1 1 24 24 THR CB C 24 71.606 71.606 71.424 0.182 19390 104 1 . 1 1 24 24 THR H H 24 8.769 8.769 8.238 0.531 19390 105 1 . 1 1 25 25 ASP N N 25 122.678 122.678 124.135 -1.457 19390 106 1 . 1 1 25 25 ASP HA H 25 4.815 4.815 4.654 0.161 19390 107 1 . 1 1 25 25 ASP CA C 25 52.701 52.701 53.300 -0.599 19390 108 1 . 1 1 25 25 ASP CB C 25 41.548 41.548 42.191 -0.643 19390 109 1 . 1 1 25 25 ASP H H 25 8.351 8.351 8.793 -0.442 19390 110 1 . 1 1 26 26 SER HA H 26 4.273 4.273 4.293 -0.020 19390 111 1 . 1 1 26 26 SER CA C 26 61.172 61.172 60.594 0.578 19390 112 1 . 1 1 26 26 SER CB C 26 63.171 63.171 63.065 0.106 19390 113 1 . 1 1 27 27 LEU N N 27 121.798 121.798 119.697 2.101 19390 114 1 . 1 1 27 27 LEU HA H 27 4.530 4.530 4.344 0.186 19390 115 1 . 1 1 27 27 LEU CA C 27 54.639 54.639 55.254 -0.615 19390 116 1 . 1 1 27 27 LEU CB C 27 42.333 42.333 42.471 -0.138 19390 117 1 . 1 1 27 27 LEU H H 27 8.031 8.031 8.285 -0.254 19390 118 1 . 1 1 28 28 GLY N N 28 107.680 107.680 105.010 2.670 19390 119 1 . 1 1 28 28 GLY CA C 28 45.241 45.241 44.574 0.668 19390 120 1 . 1 1 28 28 GLY H H 28 8.053 8.053 8.004 0.049 19390 121 1 . 1 1 29 29 ASN N N 29 121.531 121.531 120.453 1.077 19390 122 1 . 1 1 29 29 ASN HA H 29 5.084 5.084 5.127 -0.043 19390 123 1 . 1 1 29 29 ASN CA C 29 51.422 51.422 51.395 0.027 19390 124 1 . 1 1 29 29 ASN CB C 29 38.385 38.385 39.218 -0.833 19390 125 1 . 1 1 29 29 ASN H H 29 8.761 8.761 8.747 0.014 19390 126 1 . 1 1 30 30 PRO HA H 30 5.220 5.220 5.164 0.056 19390 127 1 . 1 1 30 30 PRO CA C 30 62.660 62.660 62.493 0.167 19390 128 1 . 1 1 30 30 PRO CB C 30 32.898 32.898 32.850 0.048 19390 129 1 . 1 1 31 31 SER N N 31 116.249 116.249 117.102 -0.853 19390 130 1 . 1 1 31 31 SER HA H 31 4.675 4.675 4.922 -0.247 19390 131 1 . 1 1 31 31 SER CA C 31 57.027 57.027 57.287 -0.260 19390 132 1 . 1 1 31 31 SER CB C 31 65.495 65.495 64.940 0.555 19390 133 1 . 1 1 31 31 SER H H 31 8.859 8.859 8.977 -0.118 19390 134 1 . 1 1 32 32 LEU N N 32 123.992 123.992 125.822 -1.830 19390 135 1 . 1 1 32 32 LEU HA H 32 4.910 4.910 5.021 -0.111 19390 136 1 . 1 1 32 32 LEU CA C 32 54.226 54.226 53.748 0.478 19390 137 1 . 1 1 32 32 LEU CB C 32 44.693 44.693 45.056 -0.363 19390 138 1 . 1 1 32 32 LEU H H 32 7.566 7.566 8.521 -0.955 19390 139 1 . 1 1 33 33 SER N N 33 120.489 120.489 123.433 -2.944 19390 140 1 . 1 1 33 33 SER HA H 33 4.750 4.750 4.828 -0.078 19390 141 1 . 1 1 33 33 SER CA C 33 57.236 57.236 57.158 0.078 19390 142 1 . 1 1 33 33 SER CB C 33 65.138 65.138 64.877 0.261 19390 143 1 . 1 1 33 33 SER H H 33 8.723 8.723 9.119 -0.396 19390 144 1 . 1 1 34 34 VAL N N 34 124.737 124.737 126.808 -2.071 19390 145 1 . 1 1 34 34 VAL HA H 34 5.290 5.290 5.439 -0.149 19390 146 1 . 1 1 34 34 VAL CA C 34 61.163 61.163 60.822 0.341 19390 147 1 . 1 1 34 34 VAL CB C 34 33.901 33.901 34.350 -0.449 19390 148 1 . 1 1 34 34 VAL H H 34 8.296 8.296 8.592 -0.296 19390 149 1 . 1 1 35 35 ILE N N 35 125.451 125.451 127.000 -1.549 19390 150 1 . 1 1 35 35 ILE HA H 35 5.040 5.040 4.806 0.234 19390 151 1 . 1 1 35 35 ILE CA C 35 57.790 57.790 57.857 -0.067 19390 152 1 . 1 1 35 35 ILE CB C 35 42.244 42.244 41.116 1.128 19390 153 1 . 1 1 35 35 ILE H H 35 8.920 8.920 8.927 -0.008 19390 154 1 . 1 1 36 36 PRO HA H 36 4.117 4.117 4.262 -0.145 19390 155 1 . 1 1 36 36 PRO CA C 36 63.249 63.249 62.585 0.664 19390 156 1 . 1 1 36 36 PRO CB C 36 32.044 32.044 31.762 0.282 19390 157 1 . 1 1 37 37 SER N N 37 116.872 116.872 118.327 -1.454 19390 158 1 . 1 1 37 37 SER HA H 37 3.672 3.672 4.207 -0.535 19390 159 1 . 1 1 37 37 SER CA C 37 60.172 60.172 60.169 0.003 19390 160 1 . 1 1 37 37 SER CB C 37 63.252 63.252 63.598 -0.346 19390 161 1 . 1 1 37 37 SER H H 37 7.847 7.847 8.589 -0.742 19390 162 1 . 1 1 38 38 ASN N N 38 117.181 117.181 118.588 -1.406 19390 163 1 . 1 1 38 38 ASN HA H 38 5.087 5.087 5.157 -0.070 19390 164 1 . 1 1 38 38 ASN CA C 38 50.363 50.363 50.697 -0.334 19390 165 1 . 1 1 38 38 ASN CB C 38 39.385 39.385 39.903 -0.519 19390 166 1 . 1 1 38 38 ASN H H 38 7.951 7.951 7.765 0.186 19390 167 1 . 1 1 39 39 PRO HA H 39 4.227 4.227 4.292 -0.065 19390 168 1 . 1 1 39 39 PRO CA C 39 64.374 64.374 64.301 0.073 19390 169 1 . 1 1 39 39 PRO CB C 39 32.088 32.088 31.776 0.312 19390 170 1 . 1 1 40 40 TYR N N 40 118.056 118.056 117.732 0.324 19390 171 1 . 1 1 40 40 TYR HA H 40 4.509 4.509 4.532 -0.023 19390 172 1 . 1 1 40 40 TYR CA C 40 58.814 58.814 60.601 -1.787 19390 173 1 . 1 1 40 40 TYR CB C 40 37.907 37.907 37.523 0.384 19390 174 1 . 1 1 40 40 TYR H H 40 7.818 7.818 7.899 -0.081 19390 175 1 . 1 1 41 41 GLN N N 41 118.923 118.923 118.492 0.431 19390 176 1 . 1 1 41 41 GLN HA H 41 4.085 4.085 4.056 0.029 19390 177 1 . 1 1 41 41 GLN CA C 41 56.997 56.997 58.472 -1.475 19390 178 1 . 1 1 41 41 GLN CB C 41 29.359 29.359 28.063 1.296 19390 179 1 . 1 1 41 41 GLN H H 41 7.537 7.537 7.927 -0.390 19390 180 1 . 1 1 42 42 GLU N N 42 121.556 121.556 117.661 3.895 19390 181 1 . 1 1 42 42 GLU HA H 42 3.983 3.983 4.173 -0.190 19390 182 1 . 1 1 42 42 GLU CA C 42 58.700 58.700 58.689 0.011 19390 183 1 . 1 1 42 42 GLU CB C 42 29.600 29.600 29.259 0.341 19390 184 1 . 1 1 42 42 GLU H H 42 8.294 8.294 7.727 0.567 19390 185 1 . 1 1 43 43 GLN N N 43 117.353 117.353 117.693 -0.340 19390 186 1 . 1 1 43 43 GLN HA H 43 4.266 4.266 4.257 0.008 19390 187 1 . 1 1 43 43 GLN CA C 43 56.668 56.668 57.802 -1.134 19390 188 1 . 1 1 43 43 GLN CB C 43 29.038 29.038 29.474 -0.436 19390 189 1 . 1 1 43 43 GLN H H 43 7.898 7.898 7.467 0.431 19390 190 1 . 1 1 44 44 LEU N N 44 120.635 120.635 122.705 -2.070 19390 191 1 . 1 1 44 44 LEU HA H 44 4.365 4.365 4.493 -0.128 19390 192 1 . 1 1 44 44 LEU CA C 44 54.935 54.935 53.442 1.493 19390 193 1 . 1 1 44 44 LEU CB C 44 42.453 42.453 40.603 1.850 19390 194 1 . 1 1 44 44 LEU H H 44 7.613 7.613 8.152 -0.539 19390 195 1 . 1 1 45 45 SER N N 45 114.883 114.883 116.696 -1.813 19390 196 1 . 1 1 45 45 SER HA H 45 4.273 4.273 4.374 -0.101 19390 197 1 . 1 1 45 45 SER CA C 45 59.272 59.272 58.105 1.167 19390 198 1 . 1 1 45 45 SER CB C 45 63.636 63.636 62.732 0.904 19390 199 1 . 1 1 45 45 SER H H 45 7.696 7.696 7.818 -0.122 19390 200 1 . 1 1 46 46 ASP N N 46 122.467 122.467 122.888 -0.421 19390 201 1 . 1 1 46 46 ASP HA H 46 4.762 4.762 4.632 0.130 19390 202 1 . 1 1 46 46 ASP CA C 46 53.897 53.897 55.164 -1.267 19390 203 1 . 1 1 46 46 ASP CB C 46 41.083 41.083 41.125 -0.042 19390 204 1 . 1 1 46 46 ASP H H 46 8.352 8.352 8.310 0.042 19390 205 1 . 1 1 47 47 THR N N 47 113.208 113.208 113.138 0.070 19390 206 1 . 1 1 47 47 THR HA H 47 4.708 4.708 4.754 -0.046 19390 207 1 . 1 1 47 47 THR CA C 47 59.767 59.767 58.842 0.925 19390 208 1 . 1 1 47 47 THR CB C 47 69.342 69.342 70.061 -0.719 19390 209 1 . 1 1 47 47 THR H H 47 7.696 7.696 7.573 0.123 19390 210 1 . 1 1 48 48 PRO HA H 48 4.459 4.459 4.593 -0.134 19390 211 1 . 1 1 48 48 PRO CA C 48 63.397 63.397 62.609 0.788 19390 212 1 . 1 1 48 48 PRO CB C 48 32.484 32.484 32.672 -0.188 19390 213 1 . 1 1 49 49 LEU N N 49 121.960 121.960 122.574 -0.614 19390 214 1 . 1 1 49 49 LEU HA H 49 4.346 4.346 4.601 -0.255 19390 215 1 . 1 1 49 49 LEU CA C 49 54.134 54.134 54.182 -0.048 19390 216 1 . 1 1 49 49 LEU CB C 49 43.308 43.308 42.844 0.464 19390 217 1 . 1 1 49 49 LEU H H 49 8.114 8.114 8.417 -0.303 19390 218 1 . 1 1 50 50 ILE N N 50 126.325 126.325 125.551 0.774 19390 219 1 . 1 1 50 50 ILE HA H 50 4.485 4.485 4.526 -0.041 19390 220 1 . 1 1 50 50 ILE CA C 50 58.184 58.184 58.340 -0.156 19390 221 1 . 1 1 50 50 ILE CB C 50 40.050 40.050 39.433 0.617 19390 222 1 . 1 1 50 50 ILE H H 50 9.351 9.351 8.993 0.358 19390 223 1 . 1 1 51 51 PRO HA H 51 4.940 4.940 4.856 0.084 19390 224 1 . 1 1 51 51 PRO CA C 51 61.995 61.995 62.222 -0.227 19390 225 1 . 1 1 51 51 PRO CB C 51 32.280 32.280 32.208 0.072 19390 226 1 . 1 1 52 52 LEU N N 52 121.794 121.794 126.416 -4.622 19390 227 1 . 1 1 52 52 LEU HA H 52 5.265 5.265 4.543 0.722 19390 228 1 . 1 1 52 52 LEU CA C 52 54.361 54.361 54.614 -0.253 19390 229 1 . 1 1 52 52 LEU CB C 52 46.108 46.108 45.563 0.545 19390 230 1 . 1 1 52 52 LEU H H 52 8.875 8.875 8.979 -0.104 19390 231 1 . 1 1 53 53 THR N N 53 118.726 118.726 120.015 -1.289 19390 232 1 . 1 1 53 53 THR HA H 53 4.922 4.922 4.797 0.125 19390 233 1 . 1 1 53 53 THR CA C 53 62.427 62.427 61.755 0.671 19390 234 1 . 1 1 53 53 THR CB C 53 70.731 70.731 69.300 1.431 19390 235 1 . 1 1 53 53 THR H H 53 8.827 8.827 8.333 0.494 19390 236 1 . 1 1 54 54 ILE N N 54 125.500 125.500 127.941 -2.441 19390 237 1 . 1 1 54 54 ILE HA H 54 4.962 4.962 4.417 0.545 19390 238 1 . 1 1 54 54 ILE CA C 54 60.527 60.527 60.400 0.127 19390 239 1 . 1 1 54 54 ILE CB C 54 40.830 40.830 40.044 0.786 19390 240 1 . 1 1 54 54 ILE H H 54 9.116 9.116 9.003 0.113 19390 241 1 . 1 1 55 55 PHE N N 55 126.244 126.244 126.260 -0.016 19390 242 1 . 1 1 55 55 PHE HA H 55 5.386 5.386 5.322 0.064 19390 243 1 . 1 1 55 55 PHE CA C 55 55.759 55.759 56.678 -0.919 19390 244 1 . 1 1 55 55 PHE CB C 55 41.193 41.193 41.143 0.050 19390 245 1 . 1 1 55 55 PHE H H 55 9.348 9.348 8.811 0.537 19390 246 1 . 1 1 56 56 VAL N N 56 123.920 123.920 124.354 -0.434 19390 247 1 . 1 1 56 56 VAL HA H 56 4.614 4.614 4.261 0.353 19390 248 1 . 1 1 56 56 VAL CA C 56 62.066 62.066 62.128 -0.062 19390 249 1 . 1 1 56 56 VAL CB C 56 32.730 32.730 32.890 -0.161 19390 250 1 . 1 1 56 56 VAL H H 56 8.424 8.424 8.532 -0.108 19390 251 1 . 1 1 57 57 GLY N N 57 113.280 113.280 114.043 -0.763 19390 252 1 . 1 1 57 57 GLY CA C 57 44.513 44.513 44.623 -0.110 19390 253 1 . 1 1 57 57 GLY H H 57 8.483 8.483 8.322 0.161 19390 254 1 . 1 1 58 58 GLU N N 58 118.539 118.539 120.906 -2.367 19390 255 1 . 1 1 58 58 GLU HA H 58 4.412 4.412 4.291 0.121 19390 256 1 . 1 1 58 58 GLU CA C 58 56.298 56.298 56.143 0.155 19390 257 1 . 1 1 58 58 GLU CB C 58 31.404 31.404 29.740 1.664 19390 258 1 . 1 1 58 58 GLU H H 58 8.283 8.283 8.602 -0.319 19390 259 1 . 1 1 59 59 ASN N N 59 120.870 120.870 120.810 0.060 19390 260 1 . 1 1 59 59 ASN HA H 59 4.852 4.852 4.594 0.258 19390 261 1 . 1 1 59 59 ASN CA C 59 53.120 53.120 54.005 -0.885 19390 262 1 . 1 1 59 59 ASN CB C 59 39.150 39.150 38.440 0.710 19390 263 1 . 1 1 59 59 ASN H H 59 8.530 8.530 8.481 0.049 19390 264 1 . 1 1 60 60 THR N N 60 114.187 114.187 114.875 -0.688 19390 265 1 . 1 1 60 60 THR HA H 60 4.358 4.358 4.370 -0.012 19390 266 1 . 1 1 60 60 THR CA C 60 62.086 62.086 62.484 -0.398 19390 267 1 . 1 1 60 60 THR CB C 60 69.713 69.713 69.235 0.478 19390 268 1 . 1 1 60 60 THR H H 60 8.161 8.161 8.185 -0.025 19390 269 1 . 1 1 61 61 GLY N N 61 111.003 111.003 111.720 -0.717 19390 270 1 . 1 1 61 61 GLY CA C 61 45.690 45.690 45.038 0.652 19390 271 1 . 1 1 61 61 GLY H H 61 8.280 8.280 8.259 0.021 19390 stop_ save_